#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i7k s SER 2 N 0.00 4.56 -0.25 7.83 0.15 -1.26 -5.08 113.70 119.64 3i7k s SER 2 Ca 0.00 -2.03 -0.01 0.00 0.70 0.00 0.00 55.95 54.61 3i7k s SER 2 Cb 0.00 -1.42 0.08 0.00 -1.71 0.00 0.00 66.02 62.97 3i7k s SER 2 CO 0.00 -0.39 0.05 -0.31 1.20 0.00 0.00 173.24 173.79 3i7k s TYR 3 N 1.08 1.64 0.08 3.44 2.02 -1.26 -4.35 117.35 120.00 3i7k s TYR 3 Ca 0.11 -1.45 0.09 0.00 -0.37 0.00 0.00 57.07 55.45 3i7k s TYR 3 Cb -0.19 -1.47 -0.03 0.00 -0.40 0.00 0.00 41.96 39.88 3i7k s TYR 3 CO -0.13 -0.76 -0.24 -0.80 -1.57 0.00 0.00 175.55 172.05 3i7k s ASN 4 N 1.65 2.95 -0.04 2.29 0.01 0.68 -1.11 114.94 121.36 3i7k s ASN 4 Ca 0.03 -0.63 0.05 0.00 -0.71 0.00 0.00 52.86 51.60 3i7k s ASN 4 Cb -0.18 -0.23 -0.01 0.00 0.41 0.00 0.00 41.25 41.25 3i7k s ASN 4 CO -0.15 0.19 -0.19 -0.47 -1.51 0.00 0.00 177.10 174.97 3i7k s TYR 5 N -0.92 1.87 -0.07 2.20 5.04 0.16 -1.51 117.35 124.11 3i7k s TYR 5 Ca 0.11 -0.52 -0.02 0.00 -2.44 0.00 0.00 57.07 54.20 3i7k s TYR 5 Cb -0.10 -1.24 0.03 0.00 0.35 0.00 0.00 41.96 41.00 3i7k s TYR 5 CO 0.03 -0.16 0.03 0.08 -1.34 0.00 0.00 175.55 174.19 3i7k s VAL 6 N -0.07 0.20 0.14 3.14 1.01 0.41 -1.41 120.40 123.81 3i7k s VAL 6 Ca -0.02 0.17 0.09 0.00 0.00 0.00 0.00 61.98 62.22 3i7k s VAL 6 Cb -0.11 -0.44 -0.04 0.00 0.00 0.00 0.00 36.38 35.79 3i7k s VAL 6 CO 0.02 0.18 -0.22 -0.69 0.00 0.00 0.00 175.10 174.39 3i7k s VAL 7 N 2.04 1.98 0.29 2.92 1.01 -0.83 -0.53 120.40 127.28 3i7k s VAL 7 Ca 0.04 -1.78 -0.29 0.00 0.00 0.00 0.00 61.98 59.96 3i7k s VAL 7 Cb -0.13 -1.83 -0.10 0.00 0.00 0.00 0.00 36.38 34.32 3i7k s VAL 7 CO -0.05 -0.10 1.28 -0.89 0.00 0.00 0.00 175.10 175.34 3i7k s THR 8 N -1.45 2.97 -0.04 3.92 2.01 -1.26 -1.43 115.64 120.35 3i7k s THR 8 Ca 0.13 0.92 0.08 0.00 0.31 0.00 0.00 61.69 63.13 3i7k s THR 8 Cb -0.09 -3.58 -0.13 0.00 0.01 0.00 0.00 72.50 68.72 3i7k s THR 8 CO 0.06 0.20 0.13 0.00 -0.69 0.00 0.00 174.62 174.32 3i7k n ALA 9 N 1.38 2.12 -3.67 7.40 0.00 -0.59 -4.88 120.51 122.28 3i7k n ALA 9 Ca 0.02 -0.35 -0.11 0.00 0.00 0.00 0.00 53.44 53.00 3i7k n ALA 9 Cb 0.42 -0.16 -0.11 0.00 0.00 0.00 0.00 19.45 19.61 3i7k n ALA 9 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3i7k s GLN 10 N -2.46 0.26 0.67 0.00 2.00 -1.01 -5.04 119.66 114.08 3i7k s GLN 10 Ca -0.04 0.88 -0.17 0.00 -2.00 0.00 0.00 55.36 54.04 3i7k s GLN 10 Cb 0.04 0.14 0.00 0.00 0.80 0.00 0.00 33.01 34.00 3i7k s GLN 10 CO 0.36 -0.25 1.24 0.15 -0.50 0.00 0.00 175.29 176.29 3i7k s LYS 11 N 2.34 2.49 0.26 1.67 1.02 -1.26 -4.26 119.74 121.99 3i7k s LYS 11 Ca -0.02 1.88 -0.29 0.00 0.02 0.00 0.00 55.97 57.57 3i7k s LYS 11 Cb -0.11 -1.86 -0.15 0.00 -0.52 0.00 0.00 37.83 35.19 3i7k s LYS 11 CO -0.11 -1.59 0.93 -2.30 -0.92 0.00 0.00 175.35 171.36 3i7k n PRO 12 N -2.15 1.06 -0.00 -1.68 -0.02 -1.26 -4.63 135.00 126.32 3i7k n PRO 12 Ca 0.14 0.37 0.01 0.00 -2.02 0.00 0.00 63.50 62.01 3i7k n PRO 12 Cb 0.49 -1.69 -0.01 0.00 -0.02 0.00 0.00 33.50 32.27 3i7k n PRO 12 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3i7k n THR 13 N 0.31 0.00 -2.18 3.45 -2.24 -0.86 -4.88 114.28 107.88 3i7k n THR 13 Ca 0.12 -0.34 -0.39 0.00 -2.27 0.00 0.00 64.05 61.17 3i7k n THR 13 Cb 0.30 0.85 -0.01 0.00 -2.10 0.00 0.00 70.33 69.37 3i7k n THR 13 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i7k s ALA 14 N -1.45 3.20 -0.23 6.98 0.00 0.01 -4.68 121.76 125.58 3i7k s ALA 14 Ca 0.00 1.09 -0.16 0.00 0.00 0.00 0.00 51.96 52.89 3i7k s ALA 14 Cb 0.02 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 19.67 3i7k s ALA 14 CO 0.09 -0.67 0.40 0.08 0.00 0.00 0.00 175.76 175.66 3i7k s VAL 15 N -1.34 5.18 -0.15 0.00 1.01 -0.91 -4.57 120.40 119.62 3i7k s VAL 15 Ca 0.57 0.67 0.13 0.00 0.00 0.00 0.00 61.98 63.35 3i7k s VAL 15 Cb -0.34 -3.72 -0.24 0.00 0.00 0.00 0.00 36.38 32.08 3i7k s VAL 15 CO 0.43 0.21 0.25 0.59 0.00 0.00 0.00 175.10 176.59 3i7k n ASN 16 N 4.82 0.63 -3.62 3.32 3.02 0.07 -4.20 115.26 119.29 3i7k n ASN 16 Ca -0.08 0.14 -0.10 0.00 -0.03 0.00 0.00 54.58 54.50 3i7k n ASN 16 Cb 0.51 0.38 -0.04 0.00 -0.61 0.00 0.00 39.78 40.02 3i7k n ASN 16 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3i7k s GLY 17 N -5.48 -0.29 -0.16 7.41 0.00 -0.98 -4.90 107.32 102.92 3i7k s GLY 17 Ca -0.12 0.01 -0.26 0.00 0.00 0.00 0.00 44.72 44.35 3i7k s GLY 17 CO 0.80 -0.20 0.66 0.00 0.00 0.00 0.00 173.10 174.36 3i7k s VAL 19 N -0.34 0.13 0.03 0.00 0.11 0.50 -4.86 120.40 115.98 3i7k s VAL 19 Ca -0.05 -1.05 0.08 0.00 -2.93 0.00 0.00 61.98 58.03 3i7k s VAL 19 Cb -0.03 -1.26 -0.03 0.00 -1.53 0.00 0.00 36.38 33.54 3i7k s VAL 19 CO 0.05 -0.58 -0.24 0.28 -3.33 0.00 0.00 175.10 171.28 3i7k s THR 20 N -3.68 1.92 -1.64 5.04 -1.32 -1.26 -0.54 115.64 114.17 3i7k s THR 20 Ca 0.03 -1.25 0.00 0.00 -1.21 0.00 0.00 61.69 59.26 3i7k s THR 20 Cb 0.04 -1.64 0.00 0.00 -1.51 0.00 0.00 72.50 69.39 3i7k s THR 20 CO -0.10 0.34 0.00 0.61 -2.21 0.00 0.00 174.62 173.25 3i7k n GLY 21 N 1.93 -0.61 2.90 6.08 0.00 -1.12 -4.92 105.19 109.44 3i7k n GLY 21 Ca -0.17 -0.62 -0.30 0.00 0.00 0.00 0.00 46.02 44.94 3i7k n GLY 21 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3i7k s HIS 22 N -3.44 2.93 0.00 1.61 3.76 -1.26 -0.32 115.29 118.57 3i7k s HIS 22 Ca 0.00 -2.87 0.00 0.00 -0.15 0.00 0.00 55.06 52.04 3i7k s HIS 22 Cb 0.00 -2.56 0.00 0.00 1.11 0.00 0.00 32.58 31.13 3i7k s HIS 22 CO 0.00 -0.80 0.00 0.34 -0.85 0.00 0.00 174.74 173.43 3i7k n PHE 23 N 3.56 0.00 -0.10 1.40 7.35 -1.26 0.53 117.46 128.94 3i7k n PHE 23 Ca 0.05 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.63 3i7k n PHE 23 Cb 0.35 0.00 -0.04 0.00 0.35 0.00 0.00 39.48 40.15 3i7k n PHE 23 CO 0.00 0.00 0.00 1.15 -0.76 0.00 0.00 176.76 177.15 3i7k h THR 24 N 0.00 1.27 -3.13 -2.13 2.02 -1.91 -3.40 112.91 105.63 3i7k h THR 24 Ca 0.00 -1.03 0.02 0.00 0.77 0.00 0.00 66.41 66.16 3i7k h THR 24 Cb 0.53 1.35 -0.08 0.00 -1.74 0.00 0.00 68.15 68.21 3i7k h THR 24 CO 0.00 0.33 0.15 -0.94 0.37 0.00 0.00 175.52 175.43 3i7k s SER 25 N -6.10 -0.32 0.42 4.18 1.04 -1.26 -4.91 113.70 106.74 3i7k s SER 25 Ca -0.13 -0.45 0.29 0.00 0.48 0.00 0.00 55.95 56.14 3i7k s SER 25 Cb 0.08 0.65 1.42 0.00 0.10 0.00 0.00 66.02 68.27 3i7k s SER 25 CO 0.77 -1.16 1.88 0.00 0.98 0.00 0.00 173.24 175.71 3i7k h ALA 26 N 2.07 1.00 -0.39 5.32 0.00 -1.81 -3.18 119.26 122.28 3i7k h ALA 26 Ca -0.26 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.44 3i7k h ALA 26 Cb 1.27 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 18.93 3i7k h ALA 26 CO 0.31 0.00 -0.09 -0.85 0.00 0.00 0.00 179.25 178.62 3i7k n GLU 27 N -2.57 1.91 -4.10 0.00 0.28 -1.26 -4.98 120.64 109.92 3i7k n GLU 27 Ca -0.00 -3.24 -0.12 0.00 -0.16 0.00 0.00 57.16 53.64 3i7k n GLU 27 Cb 0.15 -1.85 -0.11 0.00 1.43 0.00 0.00 31.44 31.06 3i7k n GLU 27 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 3i7k s ASP 28 N -2.57 0.94 -0.27 -1.84 1.01 -1.20 -5.14 116.67 107.61 3i7k s ASP 28 Ca 0.46 -0.73 -0.04 0.00 0.71 0.00 0.00 52.55 52.95 3i7k s ASP 28 Cb 0.41 0.06 0.02 0.00 1.01 0.00 0.00 42.92 44.43 3i7k s ASP 28 CO -0.00 -0.31 -0.01 -0.22 0.21 0.00 0.00 175.17 174.84 3i7k s LEU 29 N -2.15 3.48 0.15 1.23 2.96 -1.26 -4.38 118.68 118.69 3i7k s LEU 29 Ca -0.02 -0.84 0.04 0.00 -0.22 0.00 0.00 54.13 53.10 3i7k s LEU 29 Cb -0.04 -1.75 -0.04 0.00 0.50 0.00 0.00 46.19 44.87 3i7k s LEU 29 CO -0.02 -0.16 0.17 0.20 -1.32 0.00 0.00 176.35 175.22 3i7k s ASN 30 N 1.38 5.76 -0.20 3.68 0.01 0.56 0.02 114.94 126.15 3i7k s ASN 30 Ca 0.01 -0.03 -0.04 0.00 -0.71 0.00 0.00 52.86 52.09 3i7k s ASN 30 Cb -0.17 -1.58 -0.01 0.00 0.41 0.00 0.00 41.25 39.89 3i7k s ASN 30 CO -0.02 0.08 -0.04 -0.22 -1.51 0.00 0.00 177.10 175.39 3i7k s LEU 31 N -3.05 3.01 -0.28 0.60 2.96 -1.00 -2.79 118.68 118.14 3i7k s LEU 31 Ca 0.32 -0.31 -0.08 0.00 -0.22 0.00 0.00 54.13 53.83 3i7k s LEU 31 Cb -0.11 -1.76 -0.01 0.00 0.50 0.00 0.00 46.19 44.81 3i7k s LEU 31 CO 0.25 0.03 0.10 -0.76 -1.32 0.00 0.00 176.35 174.65 3i7k s LEU 32 N 1.17 3.76 -0.17 -0.68 1.02 0.30 -0.41 118.68 123.67 3i7k s LEU 32 Ca 0.02 -0.41 -0.04 0.00 0.02 0.00 0.00 54.13 53.72 3i7k s LEU 32 Cb -0.14 -1.94 -0.03 0.00 0.02 0.00 0.00 46.19 44.09 3i7k s LEU 32 CO -0.00 -0.12 -0.02 -0.63 0.02 0.00 0.00 176.35 175.60 3i7k s ILE 33 N 1.59 3.98 -0.34 -0.59 1.01 -0.24 -0.37 121.20 126.25 3i7k s ILE 33 Ca 0.05 -0.32 -0.16 0.00 0.00 0.00 0.00 60.65 60.22 3i7k s ILE 33 Cb -0.16 -2.77 -0.01 0.00 0.01 0.00 0.00 42.46 39.53 3i7k s ILE 33 CO 0.04 0.47 0.39 0.00 0.00 0.00 0.00 174.94 175.85 3i7k s ALA 34 N 0.58 3.50 0.00 9.38 0.00 0.14 -0.26 121.76 135.09 3i7k s ALA 34 Ca -0.02 -1.15 0.00 0.00 0.00 0.00 0.00 51.96 50.80 3i7k s ALA 34 Cb -0.14 -2.86 0.00 0.00 0.00 0.00 0.00 23.12 20.12 3i7k s ALA 34 CO 0.02 -1.08 0.00 1.63 0.00 0.00 0.00 175.76 176.33 3i7k n LYS 35 N 5.45 0.52 0.00 0.00 4.01 0.12 -0.75 118.16 127.51 3i7k n LYS 35 Ca -0.08 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.72 3i7k n LYS 35 Cb 0.49 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.01 3i7k n LYS 35 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 3i7k n ASN 36 N 0.00 0.00 -1.02 4.39 4.05 -1.26 -4.36 115.26 117.05 3i7k n ASN 36 Ca 0.00 0.07 0.09 0.00 0.45 0.00 0.00 54.58 55.19 3i7k n ASN 36 Cb 0.00 -0.19 0.25 0.00 1.23 0.00 0.00 39.78 41.07 3i7k n ASN 36 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 177.26 174.56 3i7k n THR 37 N -1.59 0.71 -4.67 -0.44 -2.24 -1.26 -1.61 114.28 103.19 3i7k n THR 37 Ca 0.00 -0.73 -0.33 0.00 -2.27 0.00 0.00 64.05 60.72 3i7k n THR 37 Cb 0.00 0.41 -0.14 0.00 -2.10 0.00 0.00 70.33 68.50 3i7k n THR 37 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3i7k s ARG 38 N -1.29 3.39 -0.19 -0.78 1.81 -1.26 -0.47 118.95 120.16 3i7k s ARG 38 Ca 0.37 -0.68 -0.08 0.00 -1.72 0.00 0.00 55.73 53.63 3i7k s ARG 38 Cb 0.20 -2.68 -0.04 0.00 -0.45 0.00 0.00 34.95 31.98 3i7k s ARG 38 CO 0.26 0.17 0.09 -1.17 -0.68 0.00 0.00 175.30 173.96 3i7k s LEU 39 N 0.48 3.92 -0.06 2.53 2.96 -0.84 0.15 118.68 127.81 3i7k s LEU 39 Ca -0.09 0.11 0.04 0.00 -0.22 0.00 0.00 54.13 53.97 3i7k s LEU 39 Cb -0.16 -2.00 -0.02 0.00 0.50 0.00 0.00 46.19 44.51 3i7k s LEU 39 CO 0.04 0.16 -0.18 -1.61 -1.32 0.00 0.00 176.35 173.44 3i7k s GLU 40 N 0.45 2.61 -0.16 1.98 2.02 0.64 -1.21 118.70 125.03 3i7k s GLU 40 Ca 0.05 -0.78 0.01 0.00 0.02 0.00 0.00 54.97 54.27 3i7k s GLU 40 Cb -0.12 -2.32 0.02 0.00 0.10 0.00 0.00 34.13 31.80 3i7k s GLU 40 CO 0.00 0.49 -0.17 0.42 0.02 0.00 0.00 175.26 176.01 3i7k s ILE 41 N -0.39 1.82 0.31 -1.63 1.01 0.09 -1.08 121.20 121.33 3i7k s ILE 41 Ca 0.04 -0.79 0.09 0.00 0.00 0.00 0.00 60.65 59.99 3i7k s ILE 41 Cb -0.12 -1.67 -0.05 0.00 0.01 0.00 0.00 42.46 40.63 3i7k s ILE 41 CO 0.02 0.50 0.02 -0.31 0.00 0.00 0.00 174.94 175.17 3i7k s TYR 42 N 1.33 2.61 -0.15 3.97 1.51 0.45 -1.51 117.35 125.56 3i7k s TYR 42 Ca 0.04 -0.34 -0.02 0.00 -1.01 0.00 0.00 57.07 55.74 3i7k s TYR 42 Cb -0.13 -1.37 -0.02 0.00 -0.11 0.00 0.00 41.96 40.32 3i7k s TYR 42 CO -0.11 0.52 -0.08 0.08 -1.11 0.00 0.00 175.55 174.86 3i7k s VAL 43 N -2.43 3.52 -0.17 0.71 1.01 0.20 -2.36 120.40 120.88 3i7k s VAL 43 Ca 0.34 -0.49 -0.29 0.00 0.00 0.00 0.00 61.98 61.53 3i7k s VAL 43 Cb -0.03 -2.52 -0.02 0.00 0.00 0.00 0.00 36.38 33.81 3i7k s VAL 43 CO 0.20 0.51 1.32 -0.69 0.00 0.00 0.00 175.10 176.43 3i7k s VAL 44 N 0.38 4.18 0.00 2.92 1.01 0.10 0.30 120.40 129.29 3i7k s VAL 44 Ca -0.07 1.41 0.00 0.00 0.00 0.00 0.00 61.98 63.32 3i7k s VAL 44 Cb -0.15 -3.96 0.00 0.00 0.00 0.00 0.00 36.38 32.27 3i7k s VAL 44 CO 0.04 -0.18 0.00 0.35 0.00 0.00 0.00 175.10 175.31 3i7k n THR 45 N 5.52 0.00 -0.00 3.92 -2.24 -0.46 -4.62 114.28 116.40 3i7k n THR 45 Ca 0.14 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.92 3i7k n THR 45 Cb 0.45 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.68 3i7k n THR 45 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i7k n ALA 46 N -3.00 2.00 0.07 6.98 0.00 -1.26 -4.60 120.51 120.70 3i7k n ALA 46 Ca 0.00 -0.01 -0.21 0.00 0.00 0.00 0.00 53.44 53.22 3i7k n ALA 46 Cb 0.00 0.26 -0.13 0.00 0.00 0.00 0.00 19.45 19.58 3i7k n ALA 46 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3i7k h GLU 47 N 0.00 0.58 0.00 0.00 4.22 -2.00 -3.50 114.58 113.88 3i7k h GLU 47 Ca -0.00 -0.76 0.00 0.00 0.08 0.00 0.00 59.36 58.68 3i7k h GLU 47 Cb 1.01 0.25 0.00 0.00 0.50 0.00 0.00 28.75 30.50 3i7k h GLU 47 CO 0.00 1.33 0.00 0.41 -2.18 0.00 0.00 179.01 178.57 3i7k n GLY 48 N 1.35 -0.90 3.25 1.92 0.00 -1.26 -5.14 105.19 104.41 3i7k n GLY 48 Ca -0.13 0.60 -0.33 0.00 0.00 0.00 0.00 46.02 46.15 3i7k n GLY 48 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i7k s LEU 49 N 0.00 2.44 -0.41 0.99 1.02 -1.26 -1.36 118.68 120.10 3i7k s LEU 49 Ca 0.00 -0.49 -0.15 0.00 0.02 0.00 0.00 54.13 53.51 3i7k s LEU 49 Cb 0.00 -1.56 0.02 0.00 0.02 0.00 0.00 46.19 44.68 3i7k s LEU 49 CO 0.00 0.07 0.32 -0.60 0.02 0.00 0.00 176.35 176.16 3i7k s ARG 50 N 0.88 2.98 0.54 1.70 6.06 0.15 -4.88 118.95 126.38 3i7k s ARG 50 Ca -0.04 -1.00 -0.21 0.00 -2.50 0.00 0.00 55.73 51.98 3i7k s ARG 50 Cb -0.15 -3.98 -0.05 0.00 0.06 0.00 0.00 34.95 30.83 3i7k s ARG 50 CO -0.01 -0.77 1.31 -2.14 -2.50 0.00 0.00 175.30 171.19 3i7k s PRO 51 N 1.73 3.18 0.00 5.12 0.02 -1.26 0.61 135.00 144.40 3i7k s PRO 51 Ca 0.06 2.11 0.00 0.00 0.02 0.00 0.00 61.00 63.19 3i7k s PRO 51 Cb -0.19 -2.22 0.00 0.00 0.02 0.00 0.00 34.50 32.11 3i7k s PRO 51 CO 0.10 -1.12 0.00 1.33 -0.33 0.00 0.00 177.00 176.99 3i7k n VAL 52 N -1.06 0.00 -3.63 3.83 0.24 -0.57 -4.81 118.33 112.32 3i7k n VAL 52 Ca 0.11 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.30 3i7k n VAL 52 Cb 0.46 -0.24 -0.07 0.00 -1.47 0.00 0.00 33.84 32.52 3i7k n VAL 52 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 3i7k s LYS 53 N -1.44 0.76 -0.13 7.34 2.47 -1.20 -5.05 119.74 122.49 3i7k s LYS 53 Ca 0.00 1.07 -0.00 0.00 -1.56 0.00 0.00 55.97 55.48 3i7k s LYS 53 Cb 0.00 0.28 0.03 0.00 -1.46 0.00 0.00 37.83 36.68 3i7k s LYS 53 CO 0.00 -0.12 -0.10 -2.00 0.16 0.00 0.00 175.35 173.29 3i7k s GLU 54 N 0.92 1.84 0.02 4.03 -6.30 -1.26 -0.73 118.70 117.22 3i7k s GLU 54 Ca -0.04 -0.42 0.05 0.00 -2.50 0.00 0.00 54.97 52.07 3i7k s GLU 54 Cb -0.05 -1.85 -0.02 0.00 0.00 0.00 0.00 34.13 32.21 3i7k s GLU 54 CO -0.08 -0.27 -0.16 0.14 0.02 0.00 0.00 175.26 174.90 3i7k s VAL 55 N 1.60 1.29 0.03 3.70 -7.23 -0.35 -5.00 120.40 114.44 3i7k s VAL 55 Ca 0.04 -0.92 -0.27 0.00 -1.81 0.00 0.00 61.98 59.03 3i7k s VAL 55 Cb -0.13 -1.12 -0.05 0.00 0.56 0.00 0.00 36.38 35.64 3i7k s VAL 55 CO -0.09 0.18 0.84 -0.83 -0.31 0.00 0.00 175.10 174.89 3i7k s GLY 56 N -0.85 2.83 0.10 2.32 0.00 -1.26 -1.99 107.32 108.46 3i7k s GLY 56 Ca 0.05 0.37 0.05 0.00 0.00 0.00 0.00 44.72 45.19 3i7k s GLY 56 CO 0.01 1.31 -0.02 1.06 0.00 0.00 0.00 173.10 175.46 3i7k s MET 57 N 0.35 2.48 -1.17 2.90 -1.94 0.38 -4.48 119.30 117.82 3i7k s MET 57 Ca 0.43 -0.88 -0.05 0.00 -1.71 0.00 0.00 55.69 53.48 3i7k s MET 57 Cb -0.21 -2.50 0.13 0.00 2.01 0.00 0.00 34.83 34.26 3i7k s MET 57 CO 0.24 0.53 2.40 0.66 -0.01 0.00 0.00 175.02 178.85 3i7k n TYR 58 N 0.55 2.46 0.00 -0.03 4.01 -1.26 -4.78 117.16 118.11 3i7k n TYR 58 Ca -0.11 -2.67 0.00 0.00 -0.16 0.00 0.00 57.90 54.96 3i7k n TYR 58 Cb 0.52 -1.71 0.00 0.00 -0.31 0.00 0.00 39.34 37.84 3i7k n TYR 58 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3i7k n GLY 59 N 1.44 3.00 3.62 2.72 0.00 -1.26 -4.68 105.19 110.02 3i7k n GLY 59 Ca 0.59 -0.09 -0.43 0.00 0.00 0.00 0.00 46.02 46.10 3i7k n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i7k s LYS 60 N -0.85 3.60 0.24 1.61 1.02 -1.26 -4.17 119.74 119.92 3i7k s LYS 60 Ca 0.00 1.70 -0.30 0.00 0.02 0.00 0.00 55.97 57.39 3i7k s LYS 60 Cb 0.00 -4.14 -0.10 0.00 -0.52 0.00 0.00 37.83 33.07 3i7k s LYS 60 CO 0.00 -1.54 1.52 0.42 -0.92 0.00 0.00 175.35 174.83 3i7k s ILE 61 N 6.04 2.47 0.00 2.17 1.01 -0.63 -0.77 121.20 131.49 3i7k s ILE 61 Ca 0.79 0.38 0.00 0.00 0.00 0.00 0.00 60.65 61.82 3i7k s ILE 61 Cb -0.26 -3.24 0.00 0.00 0.01 0.00 0.00 42.46 38.96 3i7k s ILE 61 CO 0.32 0.05 0.00 0.00 0.00 0.00 0.00 174.94 175.31 3i7k n ALA 62 N 2.80 0.35 -3.72 9.38 0.00 0.19 -4.85 120.51 124.66 3i7k n ALA 62 Ca 0.09 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.41 3i7k n ALA 62 Cb 0.39 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.71 3i7k n ALA 62 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3i7k s VAL 63 N -0.23 -0.08 -0.19 0.00 1.01 -0.85 -4.83 120.40 115.25 3i7k s VAL 63 Ca 0.00 0.16 -0.03 0.00 0.00 0.00 0.00 61.98 62.11 3i7k s VAL 63 Cb 0.00 -0.39 0.06 0.00 0.00 0.00 0.00 36.38 36.05 3i7k s VAL 63 CO 0.00 0.07 0.03 -0.32 0.00 0.00 0.00 175.10 174.88 3i7k s MET 64 N 1.38 0.63 -0.02 2.72 1.75 -1.26 -1.51 119.30 123.01 3i7k s MET 64 Ca -0.08 -0.38 -0.00 0.00 -1.25 0.00 0.00 55.69 53.98 3i7k s MET 64 Cb -0.10 -2.03 0.02 0.00 2.84 0.00 0.00 34.83 35.56 3i7k s MET 64 CO -0.09 -0.62 0.02 -1.21 -0.65 0.00 0.00 175.02 172.48 3i7k s GLU 65 N 1.87 -0.03 0.12 4.11 0.41 -0.34 -4.94 118.70 119.90 3i7k s GLU 65 Ca -0.00 0.14 -0.06 0.00 -0.41 0.00 0.00 54.97 54.64 3i7k s GLU 65 Cb -0.17 -0.18 -0.06 0.00 -1.78 0.00 0.00 34.13 31.95 3i7k s GLU 65 CO -0.08 -0.12 0.37 -0.51 -0.49 0.00 0.00 175.26 174.43 3i7k s LEU 66 N 0.79 4.29 -0.13 1.80 1.43 -1.26 0.17 118.68 125.77 3i7k s LEU 66 Ca -0.07 0.63 -0.30 0.00 -1.03 0.00 0.00 54.13 53.37 3i7k s LEU 66 Cb -0.09 -3.20 0.10 0.00 0.03 0.00 0.00 46.19 43.03 3i7k s LEU 66 CO -0.02 0.09 0.88 0.72 0.23 0.00 0.00 176.35 178.25 3i7k s PHE 67 N -1.58 -0.49 -0.25 0.29 -0.12 -0.58 -4.96 117.98 110.30 3i7k s PHE 67 Ca 0.38 0.87 -0.02 0.00 -0.05 0.00 0.00 56.93 58.11 3i7k s PHE 67 Cb -0.13 0.43 0.02 0.00 -0.63 0.00 0.00 43.02 42.72 3i7k s PHE 67 CO 0.22 -0.43 -0.06 -0.98 -0.05 0.00 0.00 175.22 173.92 3i7k s ARG 68 N -1.04 2.86 0.93 1.99 1.70 -1.26 0.11 118.95 124.25 3i7k s ARG 68 Ca -0.05 -0.96 -0.11 0.00 -0.47 0.00 0.00 55.73 54.14 3i7k s ARG 68 Cb -0.01 -2.98 0.15 0.00 -0.57 0.00 0.00 34.95 31.54 3i7k s ARG 68 CO 0.04 -0.39 1.09 -2.14 -1.08 0.00 0.00 175.30 172.83 3i7k s PRO 69 N 1.33 1.00 -0.22 3.89 0.02 -1.26 -4.88 135.00 134.88 3i7k s PRO 69 Ca 0.01 0.91 -0.40 0.00 0.02 0.00 0.00 61.00 61.53 3i7k s PRO 69 Cb -0.16 -1.77 -0.16 0.00 0.02 0.00 0.00 34.50 32.42 3i7k s PRO 69 CO -0.05 -2.45 1.64 0.36 -0.33 0.00 0.00 177.00 176.18 3i7k n LYS 70 N -4.04 1.04 -3.15 5.54 0.00 -1.26 -2.58 118.16 113.72 3i7k n LYS 70 Ca 0.07 0.38 -0.05 0.00 -0.00 0.00 0.00 58.31 58.71 3i7k n LYS 70 Cb 0.55 -2.04 0.02 0.00 -0.00 0.00 0.00 35.03 33.56 3i7k n LYS 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3i7k n GLY 71 N 3.79 -1.22 3.05 2.58 0.00 -1.26 -5.03 105.19 107.10 3i7k n GLY 71 Ca 0.25 0.51 -0.22 0.00 0.00 0.00 0.00 46.02 46.56 3i7k n GLY 71 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i7k s GLU 72 N -3.50 1.13 0.00 1.61 0.41 -1.06 -5.08 118.70 112.21 3i7k s GLU 72 Ca 0.13 -0.40 0.00 0.00 -0.41 0.00 0.00 54.97 54.29 3i7k s GLU 72 Cb -0.02 -1.04 0.00 0.00 -1.78 0.00 0.00 34.13 31.29 3i7k s GLU 72 CO 0.75 0.18 0.93 0.45 -0.49 0.00 0.00 175.26 177.09 3i7k n SER 73 N 3.12 0.00 -2.71 -0.19 2.88 -1.26 -4.89 113.62 110.57 3i7k n SER 73 Ca -0.17 0.93 -0.08 0.00 -1.33 0.00 0.00 58.87 58.22 3i7k n SER 73 Cb 0.54 -0.43 -0.01 0.00 -0.75 0.00 0.00 64.21 63.56 3i7k n SER 73 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 3i7k n LYS 74 N -1.99 1.54 -2.45 -1.46 2.85 -1.26 -4.60 118.16 110.79 3i7k n LYS 74 Ca 0.00 -0.94 -0.36 0.00 -1.05 0.00 0.00 58.31 55.96 3i7k n LYS 74 Cb 0.00 0.20 -0.03 0.00 -0.65 0.00 0.00 35.03 34.56 3i7k n LYS 74 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 3i7k s ASP 75 N -1.77 6.36 0.32 -5.58 -0.00 0.19 -4.72 116.67 111.47 3i7k s ASP 75 Ca 0.03 2.07 0.07 0.00 -0.00 0.00 0.00 52.55 54.72 3i7k s ASP 75 Cb -0.00 -2.58 -0.02 0.00 -0.00 0.00 0.00 42.92 40.31 3i7k s ASP 75 CO 0.02 -0.77 0.32 -0.76 -0.00 0.00 0.00 175.17 173.97 3i7k s LEU 76 N -3.16 3.72 -0.16 1.23 1.43 0.31 -4.67 118.68 117.38 3i7k s LEU 76 Ca 0.64 -0.39 0.01 0.00 -1.03 0.00 0.00 54.13 53.36 3i7k s LEU 76 Cb -0.22 -2.35 0.01 0.00 0.03 0.00 0.00 46.19 43.66 3i7k s LEU 76 CO 0.26 -0.32 -0.18 -0.22 0.23 0.00 0.00 176.35 176.13 3i7k s LEU 77 N -4.01 2.32 -0.17 1.79 2.96 -0.68 -1.52 118.68 119.37 3i7k s LEU 77 Ca 0.40 -0.54 -0.08 0.00 -0.22 0.00 0.00 54.13 53.69 3i7k s LEU 77 Cb -0.07 -1.52 -0.04 0.00 0.50 0.00 0.00 46.19 45.06 3i7k s LEU 77 CO 0.27 0.06 0.10 0.12 -1.32 0.00 0.00 176.35 175.58 3i7k s PHE 78 N 0.94 3.37 -0.08 5.38 5.36 0.13 0.06 117.98 133.14 3i7k s PHE 78 Ca -0.03 0.26 0.00 0.00 -0.96 0.00 0.00 56.93 56.20 3i7k s PHE 78 Cb -0.15 -2.06 0.02 0.00 -0.34 0.00 0.00 43.02 40.49 3i7k s PHE 78 CO -0.03 0.34 -0.07 0.42 -1.46 0.00 0.00 175.22 174.42 3i7k s ILE 79 N 0.00 0.87 -0.19 3.12 -1.09 -0.72 -1.20 121.20 121.99 3i7k s ILE 79 Ca 0.08 -0.24 -0.00 0.00 -2.23 0.00 0.00 60.65 58.26 3i7k s ILE 79 Cb -0.12 -0.88 0.01 0.00 -1.58 0.00 0.00 42.46 39.90 3i7k s ILE 79 CO 0.00 0.32 -0.16 -0.22 -1.23 0.00 0.00 174.94 173.65 3i7k s LEU 80 N 1.35 2.31 0.47 2.97 2.96 -0.57 -2.40 118.68 125.78 3i7k s LEU 80 Ca -0.03 -0.59 -0.21 0.00 -0.22 0.00 0.00 54.13 53.08 3i7k s LEU 80 Cb -0.14 -1.54 -0.08 0.00 0.50 0.00 0.00 46.19 44.93 3i7k s LEU 80 CO -0.03 -0.00 1.07 -0.89 -1.32 0.00 0.00 176.35 175.18 3i7k s THR 81 N 1.32 3.57 0.47 3.68 2.01 0.31 -0.64 115.64 126.37 3i7k s THR 81 Ca 0.05 1.05 0.13 0.00 0.31 0.00 0.00 61.69 63.23 3i7k s THR 81 Cb -0.13 -3.47 0.28 0.00 0.01 0.00 0.00 72.50 69.19 3i7k s THR 81 CO -0.10 -0.14 2.10 0.00 -0.69 0.00 0.00 174.62 175.78 3i7k h ALA 82 N 1.77 1.92 -0.07 7.40 0.00 -1.28 0.16 119.26 129.15 3i7k h ALA 82 Ca -0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3i7k h ALA 82 Cb 1.23 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3i7k h ALA 82 CO 0.59 0.06 0.00 1.63 0.00 0.00 0.00 179.25 181.53 3i7k n LYS 83 N -4.50 1.38 -1.64 0.00 5.02 -1.26 -4.92 118.16 112.24 3i7k n LYS 83 Ca 0.01 -0.35 -0.12 0.00 -2.02 0.00 0.00 58.31 55.82 3i7k n LYS 83 Cb 0.13 -1.43 -0.04 0.00 -0.02 0.00 0.00 35.03 33.67 3i7k n LYS 83 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3i7k n TYR 84 N -0.02 -0.19 -2.40 2.13 4.02 0.56 -4.81 117.16 116.45 3i7k n TYR 84 Ca 0.03 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.49 3i7k n TYR 84 Cb 0.27 -2.42 -0.02 0.00 -0.02 0.00 0.00 39.34 37.15 3i7k n TYR 84 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 3i7k s ASN 85 N -2.73 6.81 0.35 7.72 -0.87 -1.25 -0.56 114.94 124.40 3i7k s ASN 85 Ca 0.00 1.50 0.03 0.00 -1.57 0.00 0.00 52.86 52.82 3i7k s ASN 85 Cb 0.00 -2.54 -0.02 0.00 -0.02 0.00 0.00 41.25 38.67 3i7k s ASN 85 CO 0.00 -0.91 0.52 0.00 -2.57 0.00 0.00 177.10 174.14 3i7k s ALA 86 N 3.93 3.86 -0.21 0.60 0.00 0.14 -0.53 121.76 129.56 3i7k s ALA 86 Ca 0.56 -1.12 -0.33 0.00 0.00 0.00 0.00 51.96 51.08 3i7k s ALA 86 Cb -0.20 -1.95 0.15 0.00 0.00 0.00 0.00 23.12 21.12 3i7k s ALA 86 CO 0.19 -0.05 1.21 0.00 0.00 0.00 0.00 175.76 177.11 3i7k s ILE 88 N -1.83 1.92 0.14 0.00 1.01 -1.02 -1.76 121.20 119.66 3i7k s ILE 88 Ca 0.07 -0.92 0.10 0.00 0.00 0.00 0.00 60.65 59.90 3i7k s ILE 88 Cb -0.01 -1.68 -0.04 0.00 0.01 0.00 0.00 42.46 40.74 3i7k s ILE 88 CO -0.05 0.53 -0.21 -0.76 0.00 0.00 0.00 174.94 174.45 3i7k s LEU 89 N 0.59 2.56 0.02 2.97 1.43 0.11 -1.44 118.68 124.91 3i7k s LEU 89 Ca -0.14 -0.69 0.07 0.00 -1.03 0.00 0.00 54.13 52.35 3i7k s LEU 89 Cb -0.17 -1.38 -0.02 0.00 0.03 0.00 0.00 46.19 44.65 3i7k s LEU 89 CO 0.04 0.16 -0.22 -0.70 0.23 0.00 0.00 176.35 175.86 3i7k s GLU 90 N -2.30 1.63 -0.57 1.70 2.12 -0.36 -1.68 118.70 119.23 3i7k s GLU 90 Ca 0.18 -0.90 -0.19 0.00 0.36 0.00 0.00 54.97 54.41 3i7k s GLU 90 Cb -0.10 -1.68 0.08 0.00 0.26 0.00 0.00 34.13 32.69 3i7k s GLU 90 CO 0.09 0.45 0.71 -0.47 -0.54 0.00 0.00 175.26 175.50 3i7k s TYR 91 N -0.68 2.98 -0.36 5.30 5.04 -1.26 -1.37 117.35 126.99 3i7k s TYR 91 Ca 0.09 -0.76 -0.11 0.00 -2.44 0.00 0.00 57.07 53.85 3i7k s TYR 91 Cb -0.09 -3.88 0.02 0.00 0.35 0.00 0.00 41.96 38.36 3i7k s TYR 91 CO 0.01 -1.24 0.19 0.21 -1.34 0.00 0.00 175.55 173.38 3i7k s LYS 92 N 2.83 2.92 -0.24 4.97 2.20 0.27 -4.93 119.74 127.76 3i7k s LYS 92 Ca 0.14 -1.01 0.09 0.00 -0.36 0.00 0.00 55.97 54.83 3i7k s LYS 92 Cb -0.22 -3.69 0.63 0.00 -1.51 0.00 0.00 37.83 33.04 3i7k s LYS 92 CO 0.09 -0.64 1.57 0.94 -0.36 0.00 0.00 175.35 176.95 3i7k n GLN 93 N 4.99 3.53 -0.07 4.03 7.27 -1.26 -0.47 117.38 135.40 3i7k n GLN 93 Ca -0.12 -2.50 -0.02 0.00 0.07 0.00 0.00 57.00 54.43 3i7k n GLN 93 Cb 0.47 -2.07 -0.02 0.00 2.41 0.00 0.00 30.24 31.03 3i7k n GLN 93 CO 0.00 0.00 0.00 -1.13 0.07 0.00 0.00 177.06 176.00 3i7k n SER 94 N 0.12 -0.17 0.00 1.69 3.41 -1.26 -4.52 113.62 112.89 3i7k n SER 94 Ca 0.30 0.42 0.00 0.00 -0.26 0.00 0.00 58.87 59.33 3i7k n SER 94 Cb 1.14 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.99 3i7k n SER 94 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i7k n GLY 95 N -1.04 1.02 1.04 5.00 0.00 -1.26 -4.95 105.19 105.01 3i7k n GLY 95 Ca 0.00 -0.66 0.11 0.00 0.00 0.00 0.00 46.02 45.48 3i7k n GLY 95 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i7k n GLU 96 N 0.00 2.35 -4.26 1.61 1.02 -1.26 -4.92 120.64 115.18 3i7k n GLU 96 Ca 0.00 -2.15 -0.23 0.00 -0.02 0.00 0.00 57.16 54.76 3i7k n GLU 96 Cb 0.00 -1.47 -0.07 0.00 -0.02 0.00 0.00 31.44 29.89 3i7k n GLU 96 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3i7k s SER 97 N -1.45 4.67 -0.05 1.62 1.04 -1.26 -5.14 113.70 113.12 3i7k s SER 97 Ca 0.34 -0.61 0.05 0.00 0.48 0.00 0.00 55.95 56.21 3i7k s SER 97 Cb 0.21 -0.90 -0.00 0.00 0.10 0.00 0.00 66.02 65.42 3i7k s SER 97 CO 0.29 -0.03 -0.20 0.27 0.98 0.00 0.00 173.24 174.54 3i7k s ILE 98 N -2.31 1.70 0.08 -1.02 -4.36 -1.26 -4.15 121.20 109.87 3i7k s ILE 98 Ca 0.32 -0.86 0.04 0.00 -0.26 0.00 0.00 60.65 59.89 3i7k s ILE 98 Cb -0.06 -1.45 -0.03 0.00 1.25 0.00 0.00 42.46 42.16 3i7k s ILE 98 CO 0.21 0.48 -0.11 -1.81 0.24 0.00 0.00 174.94 173.95 3i7k s ASP 99 N 0.02 1.43 -0.41 4.36 1.01 0.38 -5.02 116.67 118.44 3i7k s ASP 99 Ca -0.05 -0.69 -0.05 0.00 0.71 0.00 0.00 52.55 52.47 3i7k s ASP 99 Cb -0.13 -0.01 0.10 0.00 1.01 0.00 0.00 42.92 43.89 3i7k s ASP 99 CO 0.03 -0.18 0.21 -0.63 0.21 0.00 0.00 175.17 174.82 3i7k s ILE 100 N -1.78 3.52 0.15 0.77 1.01 -1.26 -0.56 121.20 123.04 3i7k s ILE 100 Ca -0.00 -1.87 -0.19 0.00 0.00 0.00 0.00 60.65 58.58 3i7k s ILE 100 Cb -0.07 -3.33 -0.07 0.00 0.01 0.00 0.00 42.46 39.00 3i7k s ILE 100 CO 0.01 -0.63 0.64 -0.51 0.00 0.00 0.00 174.94 174.45 3i7k s ILE 101 N 1.22 4.66 -0.69 2.92 1.10 -0.47 -4.86 121.20 125.08 3i7k s ILE 101 Ca 0.06 1.21 -0.19 0.00 -0.51 0.00 0.00 60.65 61.22 3i7k s ILE 101 Cb -0.23 -3.88 0.11 0.00 0.15 0.00 0.00 42.46 38.61 3i7k s ILE 101 CO -0.03 0.37 0.84 -0.89 -2.11 0.00 0.00 174.94 173.13 3i7k s THR 102 N -1.32 4.77 0.26 4.00 2.01 -1.26 -1.23 115.64 122.87 3i7k s THR 102 Ca 0.36 -1.11 0.19 0.00 0.31 0.00 0.00 61.69 61.44 3i7k s THR 102 Cb -0.18 -4.58 0.15 0.00 0.01 0.00 0.00 72.50 67.90 3i7k s THR 102 CO 0.21 -1.26 1.81 0.03 -0.69 0.00 0.00 174.62 174.72 3i7k h ARG 103 N 9.08 0.00 -2.81 4.92 2.47 -1.60 -3.46 114.38 122.97 3i7k h ARG 103 Ca -0.17 0.00 0.07 0.00 -1.26 0.00 0.00 59.98 58.61 3i7k h ARG 103 Cb 1.07 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 29.36 3i7k h ARG 103 CO 1.09 0.33 0.35 0.00 0.56 0.00 0.00 179.97 182.30 3i7k s ALA 104 N -3.84 -1.17 0.00 0.04 0.00 -1.19 -4.77 121.76 110.82 3i7k s ALA 104 Ca -0.01 -0.42 0.00 0.00 0.00 0.00 0.00 51.96 51.53 3i7k s ALA 104 Cb 0.12 0.73 0.00 0.00 0.00 0.00 0.00 23.12 23.97 3i7k s ALA 104 CO 0.68 -1.02 0.00 -2.39 0.00 0.00 0.00 175.76 173.02 3i7k n HIS 105 N -0.53 0.00 0.00 0.00 1.44 -0.99 -2.44 115.22 112.69 3i7k n HIS 105 Ca -0.06 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.65 3i7k n HIS 105 Cb 0.60 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.71 3i7k n HIS 105 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3i7k n GLY 106 N -0.51 1.22 3.64 -1.39 0.00 -1.12 -4.14 105.19 102.89 3i7k n GLY 106 Ca 0.00 -0.66 -0.40 0.00 0.00 0.00 0.00 46.02 44.96 3i7k n GLY 106 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3i7k s ASN 107 N 0.00 6.55 0.00 1.61 3.84 -1.26 -0.69 114.94 124.99 3i7k s ASN 107 Ca 0.00 0.67 0.21 0.00 0.21 0.00 0.00 52.86 53.95 3i7k s ASN 107 Cb 0.00 -2.31 0.60 0.00 -0.55 0.00 0.00 41.25 38.99 3i7k s ASN 107 CO 0.00 -0.29 1.50 1.33 -2.79 0.00 0.00 177.10 176.85 3i7k n VAL 108 N 4.95 0.98 -1.44 -5.21 0.24 0.28 -4.97 118.33 113.16 3i7k n VAL 108 Ca -0.03 -0.99 -0.42 0.00 -2.04 0.00 0.00 64.34 60.87 3i7k n VAL 108 Cb 0.50 0.52 0.01 0.00 -1.47 0.00 0.00 33.84 33.39 3i7k n VAL 108 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 3i7k n GLN 109 N 1.52 0.54 -5.21 7.34 7.27 -1.26 -5.01 117.38 122.57 3i7k n GLN 109 Ca 0.23 0.20 -0.32 0.00 0.07 0.00 0.00 57.00 57.18 3i7k n GLN 109 Cb 0.60 -1.47 -0.17 0.00 2.41 0.00 0.00 30.24 31.61 3i7k n GLN 109 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 3i7k s ASP 110 N -0.95 3.12 0.42 1.69 1.01 -1.26 -5.01 116.67 115.69 3i7k s ASP 110 Ca 0.63 -0.54 0.15 0.00 0.71 0.00 0.00 52.55 53.50 3i7k s ASP 110 Cb -0.61 -1.29 1.02 0.00 1.01 0.00 0.00 42.92 43.05 3i7k s ASP 110 CO 0.58 0.18 1.92 -0.09 0.21 0.00 0.00 175.17 177.97 3i7k h ARG 111 N 6.56 0.44 -7.09 8.23 9.65 -2.03 -3.41 114.38 126.73 3i7k h ARG 111 Ca -0.22 -0.03 -0.45 0.00 -1.10 0.00 0.00 59.98 58.18 3i7k h ARG 111 Cb 1.22 -0.10 0.07 0.00 -1.39 0.00 0.00 29.97 29.78 3i7k h ARG 111 CO 0.47 0.29 0.10 0.96 2.80 0.00 0.00 179.97 184.59 3i7k s ILE 112 N -5.44 2.37 0.00 1.20 -4.36 -1.26 -5.06 121.20 108.64 3i7k s ILE 112 Ca -0.08 -0.51 0.00 0.00 -0.26 0.00 0.00 60.65 59.80 3i7k s ILE 112 Cb 0.21 -2.86 0.00 0.00 1.25 0.00 0.00 42.46 41.06 3i7k s ILE 112 CO 0.77 0.00 0.00 0.61 0.24 0.00 0.00 174.94 176.56 3i7k n GLY 113 N -2.72 -0.72 3.68 6.27 0.00 -1.26 -5.01 105.19 105.44 3i7k n GLY 113 Ca 0.10 -1.21 -0.40 0.00 0.00 0.00 0.00 46.02 44.51 3i7k n GLY 113 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3i7k s ARG 114 N -4.68 4.30 -0.15 1.61 1.70 -1.26 -4.93 118.95 115.54 3i7k s ARG 114 Ca 0.00 0.70 -0.39 0.00 -0.47 0.00 0.00 55.73 55.57 3i7k s ARG 114 Cb 0.00 -3.52 -0.16 0.00 -0.57 0.00 0.00 34.95 30.70 3i7k s ARG 114 CO 0.00 -0.12 1.63 -2.30 -1.08 0.00 0.00 175.30 173.44 3i7k n PRO 115 N 4.55 1.25 -1.52 3.89 -0.02 -1.26 -1.05 135.00 140.84 3i7k n PRO 115 Ca -0.02 0.46 -0.32 0.00 -2.02 0.00 0.00 63.50 61.60 3i7k n PRO 115 Cb 0.50 -2.14 0.07 0.00 -0.02 0.00 0.00 33.50 31.91 3i7k n PRO 115 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3i7k s SER 116 N 2.62 4.92 0.13 2.55 0.15 -1.00 -4.77 113.70 118.31 3i7k s SER 116 Ca 0.93 1.84 -0.29 0.00 0.70 0.00 0.00 55.95 59.13 3i7k s SER 116 Cb -1.00 -2.53 -0.06 0.00 -1.71 0.00 0.00 66.02 60.72 3i7k s SER 116 CO 0.58 -1.75 0.93 -0.70 1.20 0.00 0.00 173.24 173.50 3i7k s GLU 117 N -4.62 4.70 0.00 5.44 2.12 -1.26 -2.35 118.70 122.73 3i7k s GLU 117 Ca 0.62 1.40 0.00 0.00 0.36 0.00 0.00 54.97 57.36 3i7k s GLU 117 Cb -0.17 -3.35 0.00 0.00 0.26 0.00 0.00 34.13 30.86 3i7k s GLU 117 CO 0.50 0.30 0.00 0.25 -0.54 0.00 0.00 175.26 175.77 3i7k n THR 118 N 2.47 0.00 -1.92 -1.70 -2.24 -1.26 -4.86 114.28 104.77 3i7k n THR 118 Ca 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 3i7k n THR 118 Cb 0.49 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 3i7k n THR 118 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i7k n GLY 119 N -2.00 -2.25 3.68 3.38 0.00 -0.99 -4.78 105.19 102.23 3i7k n GLY 119 Ca 0.00 -1.53 -0.44 0.00 0.00 0.00 0.00 46.02 44.05 3i7k n GLY 119 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3i7k n ILE 120 N -0.44 0.36 -5.05 -0.61 5.41 -1.26 -4.75 119.36 113.02 3i7k n ILE 120 Ca 0.00 -0.07 -0.32 0.00 1.00 0.00 0.00 62.75 63.36 3i7k n ILE 120 Cb 0.00 -2.00 -0.14 0.00 -0.71 0.00 0.00 39.64 36.78 3i7k n ILE 120 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 3i7k s ILE 121 N 2.75 2.65 -0.00 1.39 1.01 -0.95 -4.97 121.20 123.09 3i7k s ILE 121 Ca 0.84 -0.88 0.04 0.00 0.00 0.00 0.00 60.65 60.65 3i7k s ILE 121 Cb -0.54 -2.00 -0.01 0.00 0.01 0.00 0.00 42.46 39.91 3i7k s ILE 121 CO 0.40 0.58 -0.13 -0.83 0.00 0.00 0.00 174.94 174.97 3i7k s GLY 122 N -0.63 0.63 0.04 6.18 0.00 -1.26 -1.00 107.32 111.29 3i7k s GLY 122 Ca 0.09 -0.58 -0.13 0.00 0.00 0.00 0.00 44.72 44.10 3i7k s GLY 122 CO 0.00 -0.50 0.28 -0.26 0.00 0.00 0.00 173.10 172.63 3i7k s ILE 123 N -0.38 0.09 -0.06 0.90 -4.36 -0.14 -5.00 121.20 112.25 3i7k s ILE 123 Ca 0.04 -0.71 0.01 0.00 -0.26 0.00 0.00 60.65 59.73 3i7k s ILE 123 Cb -0.05 -0.92 0.02 0.00 1.25 0.00 0.00 42.46 42.76 3i7k s ILE 123 CO -0.00 -0.39 -0.06 -0.63 0.24 0.00 0.00 174.94 174.09 3i7k s ILE 124 N -2.51 0.74 0.45 8.37 1.01 -1.26 -0.89 121.20 127.11 3i7k s ILE 124 Ca -0.05 -0.21 -0.25 0.00 0.00 0.00 0.00 60.65 60.14 3i7k s ILE 124 Cb -0.01 -0.74 -0.09 0.00 0.01 0.00 0.00 42.46 41.63 3i7k s ILE 124 CO -0.03 0.28 1.36 -0.67 0.00 0.00 0.00 174.94 175.88 3i7k n ASP 125 N 4.21 2.96 -0.18 3.58 2.03 -1.14 -4.84 116.55 123.17 3i7k n ASP 125 Ca -0.21 1.10 -0.02 0.00 0.52 0.00 0.00 54.79 56.19 3i7k n ASP 125 Cb 0.51 -1.56 0.08 0.00 -0.72 0.00 0.00 41.12 39.43 3i7k n ASP 125 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3i7k h PRO 126 N 2.13 0.38 0.00 -0.67 0.11 -1.88 -0.34 132.00 131.74 3i7k h PRO 126 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3i7k h PRO 126 Cb 1.28 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3i7k h PRO 126 CO 0.60 0.25 0.00 0.39 -0.21 0.00 0.00 178.00 179.03 3i7k n GLU 127 N -4.99 0.03 -1.61 1.05 1.02 -1.26 -4.81 120.64 110.08 3i7k n GLU 127 Ca 0.07 0.06 -0.14 0.00 -0.02 0.00 0.00 57.16 57.12 3i7k n GLU 127 Cb 0.23 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.10 3i7k n GLU 127 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3i7k h ARG 129 N 0.00 0.90 -3.66 0.00 3.08 -1.88 -3.44 114.38 109.39 3i7k h ARG 129 Ca -0.30 -0.39 -0.09 0.00 0.07 0.00 0.00 59.98 59.27 3i7k h ARG 129 Cb 0.98 -0.03 -0.08 0.00 0.08 0.00 0.00 29.97 30.93 3i7k h ARG 129 CO 0.42 1.04 -0.08 0.00 -1.07 0.00 0.00 179.97 180.28 3i7k s MET 130 N -4.65 1.70 -0.19 0.04 0.23 -1.26 -1.47 119.30 113.69 3i7k s MET 130 Ca -0.12 -1.37 -0.01 0.00 -1.03 0.00 0.00 55.69 53.16 3i7k s MET 130 Cb 0.11 0.49 0.00 0.00 -1.53 0.00 0.00 34.83 33.90 3i7k s MET 130 CO 0.85 -0.72 -0.12 0.42 -2.03 0.00 0.00 175.02 173.42 3i7k s ILE 131 N -3.64 2.74 -0.13 3.16 1.01 -0.46 -2.89 121.20 120.99 3i7k s ILE 131 Ca 0.23 -0.71 -0.11 0.00 0.00 0.00 0.00 60.65 60.05 3i7k s ILE 131 Cb -0.01 -2.20 -0.05 0.00 0.01 0.00 0.00 42.46 40.21 3i7k s ILE 131 CO 0.12 0.48 0.25 -0.83 0.00 0.00 0.00 174.94 174.96 3i7k s GLY 132 N 1.30 2.22 -0.07 6.18 0.00 -0.07 -1.62 107.32 115.26 3i7k s GLY 132 Ca 0.04 -0.50 0.04 0.00 0.00 0.00 0.00 44.72 44.30 3i7k s GLY 132 CO -0.07 0.11 -0.18 1.08 0.00 0.00 0.00 173.10 174.04 3i7k s LEU 133 N -0.26 1.88 -0.47 0.66 1.02 -0.41 -0.96 118.68 120.15 3i7k s LEU 133 Ca 0.16 -0.41 -0.02 0.00 0.02 0.00 0.00 54.13 53.88 3i7k s LEU 133 Cb -0.13 -1.09 0.12 0.00 0.02 0.00 0.00 46.19 45.12 3i7k s LEU 133 CO 0.05 0.12 0.26 -0.60 0.02 0.00 0.00 176.35 176.19 3i7k s ARG 134 N 0.35 2.09 -0.27 1.70 3.00 -0.17 -1.44 118.95 124.21 3i7k s ARG 134 Ca -0.13 -2.08 -0.05 0.00 -1.00 0.00 0.00 55.73 52.47 3i7k s ARG 134 Cb -0.15 -3.56 -0.15 0.00 0.00 0.00 0.00 34.95 31.09 3i7k s ARG 134 CO 0.05 -1.09 -0.28 1.28 0.00 0.00 0.00 175.30 175.26 3i7k n LEU 135 N 4.14 2.53 -4.24 -0.88 4.77 -1.26 -2.24 117.00 119.81 3i7k n LEU 135 Ca 0.02 0.07 -0.23 0.00 -0.03 0.00 0.00 56.01 55.84 3i7k n LEU 135 Cb 0.40 -0.86 -0.13 0.00 -2.33 0.00 0.00 43.42 40.50 3i7k n LEU 135 CO 0.32 0.78 -0.50 -0.31 -1.33 0.00 0.00 177.39 176.34 3i7k s TYR 136 N -2.51 1.65 0.41 -1.77 1.51 -1.26 -2.37 117.35 113.01 3i7k s TYR 136 Ca -0.36 -0.41 -0.26 0.00 -1.01 0.00 0.00 57.07 55.03 3i7k s TYR 136 Cb 0.11 -0.93 -0.10 0.00 -0.11 0.00 0.00 41.96 40.93 3i7k s TYR 136 CO 0.55 0.14 1.37 -0.25 -1.11 0.00 0.00 175.55 176.24 3i7k n ASP 137 N 1.40 3.07 -0.50 2.29 8.00 -0.22 -2.83 116.55 127.76 3i7k n ASP 137 Ca -0.19 1.15 -0.07 0.00 0.71 0.00 0.00 54.79 56.39 3i7k n ASP 137 Cb 0.54 -1.55 -0.03 0.00 -0.02 0.00 0.00 41.12 40.05 3i7k n ASP 137 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i7k n GLY 138 N 0.66 0.86 3.21 0.44 0.00 -1.26 -4.65 105.19 104.46 3i7k n GLY 138 Ca 0.05 -0.46 -0.12 0.00 0.00 0.00 0.00 46.02 45.48 3i7k n GLY 138 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i7k s LEU 139 N -1.49 0.49 -0.22 0.99 1.43 -1.13 -2.01 118.68 116.73 3i7k s LEU 139 Ca 0.00 0.70 0.01 0.00 -1.03 0.00 0.00 54.13 53.81 3i7k s LEU 139 Cb 0.00 1.13 0.06 0.00 0.03 0.00 0.00 46.19 47.41 3i7k s LEU 139 CO 0.00 -0.14 -0.06 0.12 0.23 0.00 0.00 176.35 176.50 3i7k s PHE 140 N 0.62 2.34 -0.17 0.29 5.36 -0.62 -4.43 117.98 121.37 3i7k s PHE 140 Ca -0.04 -1.68 -0.21 0.00 -0.96 0.00 0.00 56.93 54.04 3i7k s PHE 140 Cb -0.05 -1.57 -0.03 0.00 -0.34 0.00 0.00 43.02 41.04 3i7k s PHE 140 CO -0.04 -0.76 0.65 0.21 -1.46 0.00 0.00 175.22 173.82 3i7k s LYS 141 N 1.42 4.27 -0.18 10.12 2.20 -0.52 -1.23 119.74 135.81 3i7k s LYS 141 Ca -0.05 0.69 -0.06 0.00 -0.36 0.00 0.00 55.97 56.19 3i7k s LYS 141 Cb -0.18 -3.54 -0.03 0.00 -1.51 0.00 0.00 37.83 32.56 3i7k s LYS 141 CO -0.07 -0.16 0.01 0.08 -0.36 0.00 0.00 175.35 174.86 3i7k s VAL 142 N 1.64 4.23 -0.32 4.02 1.01 0.27 -1.28 120.40 129.97 3i7k s VAL 142 Ca 0.31 -0.23 -0.08 0.00 0.00 0.00 0.00 61.98 61.98 3i7k s VAL 142 Cb -0.16 -2.90 0.02 0.00 0.00 0.00 0.00 36.38 33.34 3i7k s VAL 142 CO 0.12 0.45 0.12 -0.63 0.00 0.00 0.00 175.10 175.16 3i7k s ILE 143 N 0.65 4.16 0.22 2.22 1.01 -0.64 -0.66 121.20 128.16 3i7k s ILE 143 Ca 0.00 -0.78 -0.30 0.00 0.00 0.00 0.00 60.65 59.57 3i7k s ILE 143 Cb -0.14 -3.23 -0.09 0.00 0.01 0.00 0.00 42.46 39.02 3i7k s ILE 143 CO 0.02 -0.05 1.23 -2.84 0.00 0.00 0.00 174.94 173.31 3i7k s PRO 144 N 1.51 4.46 -0.48 2.79 0.02 -1.26 -1.36 135.00 140.68 3i7k s PRO 144 Ca 0.02 1.97 -0.13 0.00 0.02 0.00 0.00 61.00 62.88 3i7k s PRO 144 Cb -0.18 -3.20 0.10 0.00 0.02 0.00 0.00 34.50 31.24 3i7k s PRO 144 CO 0.04 -0.11 0.38 -0.51 -0.33 0.00 0.00 177.00 176.47 3i7k s LEU 145 N -0.58 5.68 0.32 -5.54 1.02 -0.54 -4.94 118.68 114.10 3i7k s LEU 145 Ca 0.52 -1.61 0.07 0.00 0.02 0.00 0.00 54.13 53.12 3i7k s LEU 145 Cb -0.35 -2.11 -0.03 0.00 0.02 0.00 0.00 46.19 43.72 3i7k s LEU 145 CO 0.40 -0.69 0.27 1.51 0.02 0.00 0.00 176.35 177.86 3i7k s ASP 146 N 2.77 1.54 0.58 2.29 1.47 -1.26 -4.82 116.67 119.24 3i7k s ASP 146 Ca 0.04 -1.73 0.31 0.00 1.18 0.00 0.00 52.55 52.36 3i7k s ASP 146 Cb -0.26 0.54 1.81 0.00 -0.34 0.00 0.00 42.92 44.67 3i7k s ASP 146 CO 0.03 -1.04 2.22 -0.09 0.68 0.00 0.00 175.17 176.97 3i7k h ARG 147 N 2.18 0.00 0.00 2.11 1.12 -2.01 -3.41 114.38 114.37 3i7k h ARG 147 Ca -0.26 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.61 3i7k h ARG 147 Cb 1.23 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.19 3i7k h ARG 147 CO 0.38 0.03 0.00 -0.25 -3.11 0.00 0.00 179.97 177.02 3i7k n ASP 148 N -3.67 0.00 -1.00 -3.80 8.00 -1.26 -4.77 116.55 110.05 3i7k n ASP 148 Ca -0.03 -0.37 -0.06 0.00 0.71 0.00 0.00 54.79 55.04 3i7k n ASP 148 Cb 0.12 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.23 3i7k n ASP 148 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3i7k n ASN 149 N -1.11 -2.77 0.00 -2.24 5.15 -1.26 -4.90 115.26 108.13 3i7k n ASN 149 Ca 0.00 -0.08 0.02 0.00 -0.60 0.00 0.00 54.58 53.93 3i7k n ASN 149 Cb 0.00 -1.71 0.14 0.00 -0.53 0.00 0.00 39.78 37.69 3i7k n ASN 149 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 3i7k n LYS 150 N -1.63 0.22 0.00 1.20 5.02 -1.26 -0.63 118.16 121.08 3i7k n LYS 150 Ca -0.03 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.29 3i7k n LYS 150 Cb 0.53 -1.34 -0.00 0.00 -0.02 0.00 0.00 35.03 34.20 3i7k n LYS 150 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3i7k n GLU 151 N -0.84 2.38 -3.89 1.97 1.02 -1.26 -2.36 120.64 117.67 3i7k n GLU 151 Ca 0.04 -0.48 -0.24 0.00 -0.02 0.00 0.00 57.16 56.45 3i7k n GLU 151 Cb 0.02 -0.97 -0.01 0.00 -0.02 0.00 0.00 31.44 30.45 3i7k n GLU 151 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3i7k n LEU 152 N -0.35 -2.45 -4.68 -4.62 4.77 0.20 -3.91 117.00 105.96 3i7k n LEU 152 Ca 0.03 -0.96 -0.44 0.00 -0.03 0.00 0.00 56.01 54.61 3i7k n LEU 152 Cb 0.14 -2.34 -0.02 0.00 -2.33 0.00 0.00 43.42 38.87 3i7k n LEU 152 CO 0.09 0.43 1.02 0.29 -1.33 0.00 0.00 177.39 177.88 3i7k n LYS 153 N -4.37 2.13 -4.38 3.23 5.02 -1.26 -4.93 118.16 113.60 3i7k n LYS 153 Ca -0.31 0.75 -0.22 0.00 -2.02 0.00 0.00 58.31 56.52 3i7k n LYS 153 Cb 0.68 -2.41 -0.08 0.00 -0.02 0.00 0.00 35.03 33.20 3i7k n LYS 153 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i7k s ALA 154 N -0.23 2.33 0.04 7.82 0.00 -1.26 -4.46 121.76 125.99 3i7k s ALA 154 Ca 0.65 -1.69 0.01 0.00 0.00 0.00 0.00 51.96 50.93 3i7k s ALA 154 Cb -0.62 1.17 -0.03 0.00 0.00 0.00 0.00 23.12 23.65 3i7k s ALA 154 CO 0.52 -0.53 -0.05 -0.59 0.00 0.00 0.00 175.76 175.11 3i7k s PHE 155 N -3.35 0.48 0.34 0.00 -0.12 0.16 -4.95 117.98 110.54 3i7k s PHE 155 Ca 0.33 -0.65 -0.01 0.00 -0.05 0.00 0.00 56.93 56.55 3i7k s PHE 155 Cb 0.02 -0.32 -0.04 0.00 -0.63 0.00 0.00 43.02 42.06 3i7k s PHE 155 CO 0.22 -0.19 0.56 -0.80 -0.05 0.00 0.00 175.22 174.96 3i7k s ASN 156 N -1.90 6.32 -0.04 1.98 0.02 -1.26 0.95 114.94 121.01 3i7k s ASN 156 Ca -0.08 0.53 0.02 0.00 -1.02 0.00 0.00 52.86 52.32 3i7k s ASN 156 Cb -0.05 -2.07 0.01 0.00 0.02 0.00 0.00 41.25 39.16 3i7k s ASN 156 CO -0.03 -0.29 -0.09 -0.63 0.02 0.00 0.00 177.10 176.08 3i7k s ILE 157 N -2.29 0.85 0.23 0.60 1.01 -0.37 -4.88 121.20 116.36 3i7k s ILE 157 Ca 0.41 -0.37 -0.32 0.00 0.00 0.00 0.00 60.65 60.38 3i7k s ILE 157 Cb -0.10 -0.77 -0.13 0.00 0.01 0.00 0.00 42.46 41.47 3i7k s ILE 157 CO 0.35 0.27 1.56 -1.14 0.00 0.00 0.00 174.94 175.99 3i7k n ARG 158 N 3.49 2.40 -3.57 2.79 0.63 -1.26 -1.59 116.66 119.56 3i7k n ARG 158 Ca -0.20 0.86 -0.41 0.00 -0.92 0.00 0.00 57.85 57.18 3i7k n ARG 158 Cb 0.53 -2.62 -0.10 0.00 0.45 0.00 0.00 32.46 30.72 3i7k n ARG 158 CO 0.00 0.00 0.00 -1.17 -2.51 0.00 0.00 177.63 173.95 3i7k s LEU 159 N 0.30 4.92 0.50 6.15 0.20 -0.85 -4.82 118.68 125.08 3i7k s LEU 159 Ca 0.70 -1.11 0.23 0.00 0.69 0.00 0.00 54.13 54.65 3i7k s LEU 159 Cb -0.58 -2.04 1.30 0.00 -0.43 0.00 0.00 46.19 44.44 3i7k s LEU 159 CO 0.43 -0.45 1.95 -0.08 -0.29 0.00 0.00 176.35 177.92 3i7k h GLU 160 N 8.48 0.13 -5.75 1.98 4.57 -1.92 -3.38 114.58 118.69 3i7k h GLU 160 Ca -0.25 -0.01 -0.61 0.00 -1.18 0.00 0.00 59.36 57.31 3i7k h GLU 160 Cb 1.10 -0.03 -0.12 0.00 -0.16 0.00 0.00 28.75 29.54 3i7k h GLU 160 CO 0.71 0.09 0.88 -1.21 -1.18 0.00 0.00 179.01 178.30 3i7k s GLU 161 N -5.14 3.28 0.14 1.92 8.01 -1.26 -4.95 118.70 120.71 3i7k s GLU 161 Ca -0.06 -0.84 0.05 0.00 0.01 0.00 0.00 54.97 54.13 3i7k s GLU 161 Cb 0.21 -4.49 0.44 0.00 -4.31 0.00 0.00 34.13 25.98 3i7k s GLU 161 CO 0.75 -1.97 0.64 1.47 0.01 0.00 0.00 175.26 176.17 3i7k n LEU 162 N 8.21 0.06 -3.14 1.80 -0.00 -1.26 -4.20 117.00 118.46 3i7k n LEU 162 Ca 0.08 0.69 -0.18 0.00 -0.00 0.00 0.00 56.01 56.59 3i7k n LEU 162 Cb 0.48 -0.30 -0.05 0.00 -0.00 0.00 0.00 43.42 43.55 3i7k n LEU 162 CO 0.64 -0.73 -0.15 1.57 -0.00 0.00 0.00 177.39 178.72 3i7k n HIS 163 N -4.15 -1.96 -2.68 1.47 -0.00 -1.26 -4.01 115.22 102.63 3i7k n HIS 163 Ca 0.13 -2.62 -0.42 0.00 -0.00 0.00 0.00 57.72 54.81 3i7k n HIS 163 Cb 0.43 0.68 -0.03 0.00 -0.00 0.00 0.00 29.99 31.06 3i7k n HIS 163 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 3i7k s VAL 164 N 0.25 4.68 -0.16 3.57 1.01 -1.26 -0.99 120.40 127.50 3i7k s VAL 164 Ca 0.32 2.00 -0.26 0.00 0.00 0.00 0.00 61.98 64.04 3i7k s VAL 164 Cb 0.05 -4.28 -0.23 0.00 0.00 0.00 0.00 36.38 31.92 3i7k s VAL 164 CO -0.15 0.20 0.60 0.40 0.00 0.00 0.00 175.10 176.15 3i7k h ILE 165 N 4.56 1.50 -3.20 2.22 5.03 -0.31 -3.46 117.51 123.85 3i7k h ILE 165 Ca -0.42 -2.24 -0.08 0.00 -0.12 0.00 0.00 64.86 62.00 3i7k h ILE 165 Cb 1.22 2.95 -0.16 0.00 -3.03 0.00 0.00 36.82 37.80 3i7k h ILE 165 CO 0.75 0.51 -0.17 -0.62 -0.68 0.00 0.00 178.15 177.94 3i7k s ASP 166 N -6.34 -0.20 -0.06 1.72 2.15 -1.22 -4.92 116.67 107.80 3i7k s ASP 166 Ca -0.21 -0.13 -0.04 0.00 0.43 0.00 0.00 52.55 52.61 3i7k s ASP 166 Cb -0.01 0.40 0.02 0.00 -0.30 0.00 0.00 42.92 43.04 3i7k s ASP 166 CO 0.64 -0.66 0.14 -0.69 -0.17 0.00 0.00 175.17 174.42 3i7k s VAL 167 N -2.67 -0.02 0.05 1.11 1.01 -1.26 -2.58 120.40 116.04 3i7k s VAL 167 Ca -0.04 0.08 0.02 0.00 0.00 0.00 0.00 61.98 62.04 3i7k s VAL 167 Cb -0.00 -0.22 -0.03 0.00 0.00 0.00 0.00 36.38 36.13 3i7k s VAL 167 CO -0.04 0.03 -0.07 -0.54 0.00 0.00 0.00 175.10 174.49 3i7k s LYS 168 N 0.57 0.55 0.12 2.72 1.02 -0.27 -4.94 119.74 119.51 3i7k s LYS 168 Ca -0.04 -0.85 -0.31 0.00 0.02 0.00 0.00 55.97 54.79 3i7k s LYS 168 Cb -0.06 -0.19 -0.08 0.00 -0.52 0.00 0.00 37.83 36.98 3i7k s LYS 168 CO -0.03 0.02 1.38 -0.06 -0.92 0.00 0.00 175.35 175.74 3i7k s PHE 169 N -1.89 3.25 0.41 3.18 0.40 -1.26 -0.71 117.98 121.36 3i7k s PHE 169 Ca -0.06 0.98 -0.24 0.00 -0.60 0.00 0.00 56.93 57.01 3i7k s PHE 169 Cb -0.07 -3.67 -0.08 0.00 0.51 0.00 0.00 43.02 39.71 3i7k s PHE 169 CO -0.01 -2.32 1.11 -0.51 0.70 0.00 0.00 175.22 174.19 3i7k s LEU 170 N 0.99 4.15 0.51 -0.37 1.43 -0.50 -4.80 118.68 120.08 3i7k s LEU 170 Ca 0.64 2.19 -0.17 0.00 -1.03 0.00 0.00 54.13 55.75 3i7k s LEU 170 Cb -0.37 -4.13 -0.08 0.00 0.03 0.00 0.00 46.19 41.65 3i7k s LEU 170 CO 0.31 -0.62 0.99 -0.31 0.23 0.00 0.00 176.35 176.95 3i7k s TYR 171 N -1.54 3.36 -0.90 0.29 1.51 -1.26 -4.35 117.35 114.46 3i7k s TYR 171 Ca 0.58 1.50 -0.05 0.00 -1.01 0.00 0.00 57.07 58.09 3i7k s TYR 171 Cb -0.26 -2.84 0.01 0.00 -0.11 0.00 0.00 41.96 38.76 3i7k s TYR 171 CO 0.33 -0.42 0.78 0.41 -1.11 0.00 0.00 175.55 175.54 3i7k n GLY 172 N -1.28 -0.06 3.56 0.71 0.00 -1.26 -4.64 105.19 102.21 3i7k n GLY 172 Ca 0.07 -0.05 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 3i7k n GLY 172 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i7k n GLN 174 N 2.66 0.89 0.00 0.00 6.02 -1.26 -4.58 117.38 121.10 3i7k n GLN 174 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.81 3i7k n GLN 174 Cb 0.53 -1.33 0.00 0.00 1.02 0.00 0.00 30.24 30.46 3i7k n GLN 174 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3i7k n ALA 175 N 0.20 0.00 -1.65 -1.58 0.00 -1.26 -5.11 120.51 111.11 3i7k n ALA 175 Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 53.44 52.93 3i7k n ALA 175 Cb 0.29 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.68 3i7k n ALA 175 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3i7k n PRO 176 N -0.37 1.51 -4.62 0.00 -0.02 -1.26 -4.78 135.00 125.47 3i7k n PRO 176 Ca 0.00 0.55 -0.24 0.00 -2.02 0.00 0.00 63.50 61.78 3i7k n PRO 176 Cb 0.00 -2.26 -0.16 0.00 -0.02 0.00 0.00 33.50 31.06 3i7k n PRO 176 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3i7k s THR 177 N 1.80 1.16 0.02 3.45 2.01 -1.26 0.16 115.64 122.98 3i7k s THR 177 Ca 0.88 -0.52 -0.07 0.00 0.31 0.00 0.00 61.69 62.29 3i7k s THR 177 Cb -0.89 -1.04 -0.05 0.00 0.01 0.00 0.00 72.50 70.54 3i7k s THR 177 CO 0.50 0.35 0.28 -0.51 -0.69 0.00 0.00 174.62 174.56 3i7k s ILE 178 N 0.46 5.28 -0.05 1.82 1.10 0.35 -1.41 121.20 128.74 3i7k s ILE 178 Ca -0.11 0.18 0.03 0.00 -0.51 0.00 0.00 60.65 60.24 3i7k s ILE 178 Cb -0.14 -3.58 0.01 0.00 0.15 0.00 0.00 42.46 38.90 3i7k s ILE 178 CO 0.03 0.34 -0.12 0.00 -2.11 0.00 0.00 174.94 173.08 3i7k s PHE 180 N 0.49 -0.52 -0.18 0.00 -0.12 -0.90 -1.11 117.98 115.65 3i7k s PHE 180 Ca -0.11 1.07 -0.13 0.00 -0.05 0.00 0.00 56.93 57.71 3i7k s PHE 180 Cb -0.14 0.25 -0.05 0.00 -0.63 0.00 0.00 43.02 42.45 3i7k s PHE 180 CO 0.03 -0.42 0.27 0.08 -0.05 0.00 0.00 175.22 175.13 3i7k s VAL 181 N -0.60 5.31 0.28 -2.49 1.01 -1.06 -1.23 120.40 121.61 3i7k s VAL 181 Ca -0.07 0.48 0.03 0.00 0.00 0.00 0.00 61.98 62.42 3i7k s VAL 181 Cb -0.03 -3.61 -0.06 0.00 0.00 0.00 0.00 36.38 32.68 3i7k s VAL 181 CO 0.05 0.37 0.06 -0.72 0.00 0.00 0.00 175.10 174.85 3i7k s TYR 182 N 0.65 1.70 -0.08 5.22 -0.85 -0.58 0.47 117.35 123.88 3i7k s TYR 182 Ca 0.15 -1.03 0.04 0.00 -0.52 0.00 0.00 57.07 55.71 3i7k s TYR 182 Cb -0.13 -1.04 -0.01 0.00 0.38 0.00 0.00 41.96 41.16 3i7k s TYR 182 CO 0.04 -0.13 -0.21 -1.14 -1.52 0.00 0.00 175.55 172.59 3i7k s GLN 183 N -3.94 2.87 0.14 -3.49 0.74 -0.17 -2.10 119.66 113.72 3i7k s GLN 183 Ca 0.35 -0.83 -0.02 0.00 0.05 0.00 0.00 55.36 54.91 3i7k s GLN 183 Cb 0.08 -2.32 -0.04 0.00 1.10 0.00 0.00 33.01 31.82 3i7k s GLN 183 CO 0.13 0.31 0.07 0.16 -0.55 0.00 0.00 175.29 175.41 3i7k s ASP 184 N 0.04 0.28 0.57 6.67 1.47 -1.15 -4.31 116.67 120.24 3i7k s ASP 184 Ca -0.08 -1.20 -0.20 0.00 1.18 0.00 0.00 52.55 52.25 3i7k s ASP 184 Cb -0.15 0.31 -0.05 0.00 -0.34 0.00 0.00 42.92 42.69 3i7k s ASP 184 CO 0.05 -0.75 1.12 -2.65 0.68 0.00 0.00 175.17 173.63 3i7k n PRO 185 N -0.11 1.21 0.00 2.11 -0.02 -1.26 -2.21 135.00 134.72 3i7k n PRO 185 Ca -0.05 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 3i7k n PRO 185 Cb 0.64 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 3i7k n PRO 185 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3i7k n GLN 186 N -0.96 0.00 0.00 -0.52 6.02 -1.26 -4.99 117.38 115.67 3i7k n GLN 186 Ca 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.11 3i7k n GLN 186 Cb 0.46 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.72 3i7k n GLN 186 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3i7k n GLY 187 N -1.51 -1.22 3.80 1.08 0.00 -0.94 -4.97 105.19 101.43 3i7k n GLY 187 Ca 0.00 -1.62 -0.22 0.00 0.00 0.00 0.00 46.02 44.18 3i7k n GLY 187 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i7k s ARG 188 N 0.00 2.83 0.12 1.61 0.52 -1.26 -2.91 118.95 119.86 3i7k s ARG 188 Ca 0.00 -1.12 -0.07 0.00 -0.52 0.00 0.00 55.73 54.02 3i7k s ARG 188 Cb 0.00 -2.50 -0.01 0.00 0.52 0.00 0.00 34.95 32.95 3i7k s ARG 188 CO 0.00 0.38 0.19 -1.01 0.02 0.00 0.00 175.30 174.89 3i7k s HIS 189 N -2.17 0.36 -0.05 -0.53 3.76 -0.89 -1.87 115.29 113.89 3i7k s HIS 189 Ca 0.33 -0.77 0.06 0.00 -0.15 0.00 0.00 55.06 54.53 3i7k s HIS 189 Cb -0.08 -0.13 -0.01 0.00 1.11 0.00 0.00 32.58 33.47 3i7k s HIS 189 CO 0.24 -0.60 -0.24 0.54 -0.85 0.00 0.00 174.74 173.83 3i7k s VAL 190 N -3.93 1.98 0.12 -0.90 0.11 0.13 -1.53 120.40 116.38 3i7k s VAL 190 Ca 0.12 -1.03 -0.01 0.00 -2.93 0.00 0.00 61.98 58.13 3i7k s VAL 190 Cb 0.05 -1.68 -0.04 0.00 -1.53 0.00 0.00 36.38 33.18 3i7k s VAL 190 CO -0.05 0.55 0.03 -0.75 -3.33 0.00 0.00 175.10 171.55 3i7k s LYS 191 N -0.17 0.87 0.10 1.54 2.20 -0.37 -1.67 119.74 122.25 3i7k s LYS 191 Ca -0.03 -1.40 0.07 0.00 -0.36 0.00 0.00 55.97 54.26 3i7k s LYS 191 Cb -0.13 0.18 -0.03 0.00 -1.51 0.00 0.00 37.83 36.33 3i7k s LYS 191 CO 0.03 -0.21 -0.19 0.95 -0.36 0.00 0.00 175.35 175.57 3i7k s THR 192 N -3.97 1.58 -0.08 3.43 -4.23 -1.26 -2.11 115.64 108.99 3i7k s THR 192 Ca 0.20 -1.52 -0.05 0.00 -1.18 0.00 0.00 61.69 59.15 3i7k s THR 192 Cb 0.07 -1.47 0.04 0.00 1.34 0.00 0.00 72.50 72.48 3i7k s THR 192 CO -0.01 -0.12 0.20 -0.31 -0.54 0.00 0.00 174.62 173.84 3i7k s TYR 193 N -1.26 -0.24 0.35 3.99 4.12 -0.85 -3.70 117.35 119.75 3i7k s TYR 193 Ca 0.05 0.60 -0.26 0.00 0.02 0.00 0.00 57.07 57.49 3i7k s TYR 193 Cb -0.10 0.01 -0.09 0.00 -1.52 0.00 0.00 41.96 40.26 3i7k s TYR 193 CO 0.04 -0.17 1.00 -1.21 0.02 0.00 0.00 175.55 175.23 3i7k s GLU 194 N 0.90 4.43 -0.43 -0.62 2.02 -0.78 0.13 118.70 124.36 3i7k s GLU 194 Ca -0.07 1.46 -0.15 0.00 0.02 0.00 0.00 54.97 56.23 3i7k s GLU 194 Cb -0.08 -2.75 0.03 0.00 0.10 0.00 0.00 34.13 31.43 3i7k s GLU 194 CO -0.05 0.11 0.34 0.08 0.02 0.00 0.00 175.26 175.76 3i7k s VAL 195 N -1.58 5.24 -0.78 2.63 1.01 0.42 -4.22 120.40 123.12 3i7k s VAL 195 Ca 0.52 -0.75 -0.18 0.00 0.00 0.00 0.00 61.98 61.57 3i7k s VAL 195 Cb -0.22 -3.99 0.13 0.00 0.00 0.00 0.00 36.38 32.30 3i7k s VAL 195 CO 0.27 -0.40 0.92 -0.55 0.00 0.00 0.00 175.10 175.35 3i7k s SER 196 N 1.95 6.46 0.40 3.32 0.15 -1.24 -4.41 113.70 120.32 3i7k s SER 196 Ca 0.05 -1.84 0.21 0.00 0.70 0.00 0.00 55.95 55.08 3i7k s SER 196 Cb -0.20 -2.34 0.39 0.00 -1.71 0.00 0.00 66.02 62.16 3i7k s SER 196 CO 0.09 -1.05 1.61 0.17 1.20 0.00 0.00 173.24 175.27 3i7k h LEU 197 N 9.96 0.00 -0.62 3.45 -0.00 -1.95 0.12 115.31 126.27 3i7k h LEU 197 Ca -0.04 0.00 0.12 0.00 -0.00 0.00 0.00 57.88 57.96 3i7k h LEU 197 Cb 1.05 0.00 -0.12 0.00 -0.00 0.00 0.00 40.66 41.59 3i7k h LEU 197 CO 1.05 0.19 -0.22 -0.09 -0.00 0.00 0.00 178.44 179.37 3i7k h ARG 198 N 0.00 -0.06 0.00 0.17 9.65 -1.98 -3.18 114.38 118.98 3i7k h ARG 198 Ca -0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 3i7k h ARG 198 Cb 1.06 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.66 3i7k h ARG 198 CO 0.02 -0.04 -0.01 -0.85 2.80 0.00 0.00 179.97 181.90 3i7k n GLU 199 N -5.44 2.48 -2.18 0.20 0.28 -1.21 -5.03 120.64 109.73 3i7k n GLU 199 Ca 0.07 -1.57 -0.20 0.00 -0.16 0.00 0.00 57.16 55.30 3i7k n GLU 199 Cb 0.34 -1.02 -0.03 0.00 1.43 0.00 0.00 31.44 32.16 3i7k n GLU 199 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 3i7k n LYS 200 N -0.59 -1.52 0.00 3.44 5.02 0.37 -5.01 118.16 119.87 3i7k n LYS 200 Ca 0.02 1.01 0.00 0.00 -2.02 0.00 0.00 58.31 57.32 3i7k n LYS 200 Cb 0.33 -5.54 0.00 0.00 -0.02 0.00 0.00 35.03 29.80 3i7k n LYS 200 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3i7k n GLU 201 N -2.78 3.63 0.00 1.97 1.02 -0.98 -4.80 120.64 118.70 3i7k n GLU 201 Ca -0.22 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.92 3i7k n GLU 201 Cb 0.67 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.09 3i7k n GLU 201 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 3i7k n PHE 202 N 0.00 0.00 -4.93 -0.32 0.99 -1.26 -3.70 117.46 108.25 3i7k n PHE 202 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 3i7k n PHE 202 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.48 3i7k n PHE 202 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.76 176.85 3i7k n ASN 203 N -1.27 0.00 -5.00 4.37 3.02 -1.26 -2.30 115.26 112.81 3i7k n ASN 203 Ca 0.00 0.00 -0.19 0.00 -0.03 0.00 0.00 54.58 54.36 3i7k n ASN 203 Cb 0.17 0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.37 3i7k n ASN 203 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3i7k s LYS 204 N 0.00 2.48 0.34 3.52 2.20 -1.26 -4.77 119.74 122.25 3i7k s LYS 204 Ca 0.00 -1.54 0.06 0.00 -0.36 0.00 0.00 55.97 54.12 3i7k s LYS 204 Cb 0.00 -2.61 -0.01 0.00 -1.51 0.00 0.00 37.83 33.70 3i7k s LYS 204 CO 0.00 -0.60 0.48 0.20 -0.36 0.00 0.00 175.35 175.07 3i7k s GLY 205 N -4.49 1.55 0.00 5.54 0.00 -1.24 -1.86 107.32 106.81 3i7k s GLY 205 Ca 0.56 -1.39 0.13 0.00 0.00 0.00 0.00 44.72 44.03 3i7k s GLY 205 CO 0.35 -1.31 1.49 -1.05 0.00 0.00 0.00 173.10 172.58 3i7k n PRO 206 N -1.66 1.09 -3.64 2.90 -0.02 -1.26 -4.79 135.00 127.62 3i7k n PRO 206 Ca -0.01 -0.14 -0.03 0.00 -2.02 0.00 0.00 63.50 61.30 3i7k n PRO 206 Cb 0.58 -1.22 -0.07 0.00 -0.02 0.00 0.00 33.50 32.77 3i7k n PRO 206 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 3i7k s TRP 207 N -1.96 -0.38 0.25 6.00 -2.14 -1.26 -4.82 118.94 114.62 3i7k s TRP 207 Ca 0.21 0.81 -0.08 0.00 2.66 0.00 0.00 56.10 59.69 3i7k s TRP 207 Cb 0.10 0.30 -0.07 0.00 -3.10 0.00 0.00 33.47 30.69 3i7k s TRP 207 CO 0.16 -0.19 -0.08 1.63 -2.66 0.00 0.00 176.95 175.81 3i7k n LYS 208 N 3.04 0.00 -2.14 3.25 4.76 -1.26 -4.35 118.16 121.46 3i7k n LYS 208 Ca -0.16 0.00 -0.40 0.00 -2.87 0.00 0.00 58.31 54.88 3i7k n LYS 208 Cb 0.57 -0.46 -0.02 0.00 -1.84 0.00 0.00 35.03 33.28 3i7k n LYS 208 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 3i7k s GLN 209 N -0.50 4.23 0.03 1.97 0.74 -1.26 -4.81 119.66 120.07 3i7k s GLN 209 Ca 0.26 2.13 0.02 0.00 0.05 0.00 0.00 55.36 57.82 3i7k s GLN 209 Cb -0.22 -2.95 -0.02 0.00 1.10 0.00 0.00 33.01 30.92 3i7k s GLN 209 CO 0.31 -0.26 -0.07 -1.21 -0.55 0.00 0.00 175.29 173.52 3i7k s GLU 210 N -1.95 0.48 0.41 1.67 0.41 -0.67 -4.97 118.70 114.08 3i7k s GLU 210 Ca 0.52 -0.66 -0.24 0.00 -0.41 0.00 0.00 54.97 54.18 3i7k s GLU 210 Cb -0.38 -0.25 -0.09 0.00 -1.78 0.00 0.00 34.13 31.64 3i7k s GLU 210 CO 0.49 0.04 1.06 -0.80 -0.49 0.00 0.00 175.26 175.57 3i7k s ASN 211 N -1.37 6.67 0.22 -0.19 0.01 -1.26 0.20 114.94 119.22 3i7k s ASN 211 Ca -0.09 2.06 0.03 0.00 -0.71 0.00 0.00 52.86 54.15 3i7k s ASN 211 Cb -0.09 -2.59 -0.05 0.00 0.41 0.00 0.00 41.25 38.93 3i7k s ASN 211 CO 0.00 -0.55 0.01 0.68 -1.51 0.00 0.00 177.10 175.73 3i7k s VAL 212 N -1.66 0.87 0.35 1.60 -7.23 -0.78 -4.80 120.40 108.74 3i7k s VAL 212 Ca 0.59 -2.01 -0.25 0.00 -1.81 0.00 0.00 61.98 58.50 3i7k s VAL 212 Cb -0.22 -2.32 -0.13 0.00 0.56 0.00 0.00 36.38 34.26 3i7k s VAL 212 CO 0.28 -0.32 0.71 1.21 -0.31 0.00 0.00 175.10 176.67 3i7k n GLU 213 N -0.38 0.77 -0.32 4.82 2.13 -1.26 -4.13 120.64 122.27 3i7k n GLU 213 Ca -0.05 0.28 0.21 0.00 0.66 0.00 0.00 57.16 58.26 3i7k n GLU 213 Cb 0.64 -1.57 0.42 0.00 0.27 0.00 0.00 31.44 31.20 3i7k n GLU 213 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3i7k h ALA 214 N 1.22 1.75 -0.51 4.31 0.00 -1.96 -1.85 119.26 122.22 3i7k h ALA 214 Ca -0.39 0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3i7k h ALA 214 Cb 1.38 0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.41 3i7k h ALA 214 CO 0.55 -0.58 0.00 0.39 0.00 0.00 0.00 179.25 179.61 3i7k n GLU 215 N -5.14 3.45 -1.64 0.00 -0.58 -1.26 -4.81 120.64 110.66 3i7k n GLU 215 Ca 0.29 -2.73 -0.48 0.00 -0.42 0.00 0.00 57.16 53.82 3i7k n GLU 215 Cb 0.92 -1.77 -0.05 0.00 -0.57 0.00 0.00 31.44 29.97 3i7k n GLU 215 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3i7k n ALA 216 N 0.66 0.42 -0.71 0.62 0.00 -0.70 -3.86 120.51 116.95 3i7k n ALA 216 Ca 0.22 0.47 0.00 0.00 0.00 0.00 0.00 53.44 54.14 3i7k n ALA 216 Cb 0.81 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 18.02 3i7k n ALA 216 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3i7k n SER 217 N 3.09 0.00 -4.15 0.00 3.41 -0.44 -4.95 113.62 110.57 3i7k n SER 217 Ca 0.18 -0.48 -0.29 0.00 -0.26 0.00 0.00 58.87 58.02 3i7k n SER 217 Cb 0.25 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 64.03 3i7k n SER 217 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 3i7k s MET 218 N 0.00 2.52 -0.15 4.33 -1.94 -1.01 -4.62 119.30 118.43 3i7k s MET 218 Ca 0.00 -0.71 -0.04 0.00 -1.71 0.00 0.00 55.69 53.22 3i7k s MET 218 Cb 0.00 -1.96 -0.03 0.00 2.01 0.00 0.00 34.83 34.85 3i7k s MET 218 CO 0.00 0.14 -0.01 0.08 -0.01 0.00 0.00 175.02 175.23 3i7k s VAL 219 N 0.41 4.18 -0.11 -6.03 1.01 -1.26 -1.50 120.40 117.11 3i7k s VAL 219 Ca -0.16 -0.26 0.04 0.00 0.00 0.00 0.00 61.98 61.60 3i7k s VAL 219 Cb -0.17 -2.83 0.00 0.00 0.00 0.00 0.00 36.38 33.38 3i7k s VAL 219 CO 0.07 0.50 -0.23 -0.63 0.00 0.00 0.00 175.10 174.81 3i7k s ILE 220 N 0.15 2.03 -0.37 2.22 1.01 0.73 -4.82 121.20 122.15 3i7k s ILE 220 Ca 0.01 -0.99 -0.20 0.00 0.00 0.00 0.00 60.65 59.46 3i7k s ILE 220 Cb -0.13 -1.76 0.01 0.00 0.01 0.00 0.00 42.46 40.58 3i7k s ILE 220 CO 0.02 0.55 0.60 0.00 0.00 0.00 0.00 174.94 176.11 3i7k s ALA 221 N 0.44 3.44 0.11 9.38 0.00 -1.26 -0.07 121.76 133.80 3i7k s ALA 221 Ca -0.17 -0.99 -0.26 0.00 0.00 0.00 0.00 51.96 50.55 3i7k s ALA 221 Cb -0.17 -3.16 -0.07 0.00 0.00 0.00 0.00 23.12 19.72 3i7k s ALA 221 CO 0.07 -1.41 0.81 0.08 0.00 0.00 0.00 175.76 175.30 3i7k s VAL 222 N 2.64 4.53 1.02 0.00 1.01 -0.87 -4.88 120.40 123.85 3i7k s VAL 222 Ca 0.22 1.75 -0.15 0.00 0.00 0.00 0.00 61.98 63.80 3i7k s VAL 222 Cb -0.15 -4.17 0.20 0.00 0.00 0.00 0.00 36.38 32.27 3i7k s VAL 222 CO 0.15 0.42 1.15 -2.84 0.00 0.00 0.00 175.10 173.99 3i7k s PRO 223 N -0.50 0.24 0.34 2.72 0.02 -1.26 -3.38 135.00 133.17 3i7k s PRO 223 Ca 0.39 0.10 0.14 0.00 0.02 0.00 0.00 61.00 61.64 3i7k s PRO 223 Cb -0.22 -1.75 1.07 0.00 0.02 0.00 0.00 34.50 33.61 3i7k s PRO 223 CO 0.26 -2.77 1.66 0.93 -0.33 0.00 0.00 177.00 176.74 3i7k h GLU 224 N -1.91 0.29 -0.02 5.54 4.39 -1.90 0.49 114.58 121.46 3i7k h GLU 224 Ca -0.49 -0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.20 3i7k h GLU 224 Cb 1.30 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.89 3i7k h GLU 224 CO 0.49 0.19 0.03 -1.35 -1.16 0.00 0.00 179.01 177.21 3i7k h PRO 225 N 0.29 0.00 0.00 2.33 0.11 -1.92 -3.32 132.00 129.50 3i7k h PRO 225 Ca 0.72 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.77 3i7k h PRO 225 Cb 1.65 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.75 3i7k h PRO 225 CO -0.62 0.00 -0.90 1.19 -0.21 0.00 0.00 178.00 177.46 3i7k n PHE 226 N -3.70 0.00 -4.34 0.65 3.01 -0.12 -4.78 117.46 108.18 3i7k n PHE 226 Ca -0.03 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.43 3i7k n PHE 226 Cb 0.11 -0.19 0.00 0.00 -0.01 0.00 0.00 39.48 39.39 3i7k n PHE 226 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3i7k n GLY 227 N 2.76 -1.52 6.83 1.37 0.00 -0.03 -5.02 105.19 109.58 3i7k n GLY 227 Ca -0.09 -1.26 0.01 0.00 0.00 0.00 0.00 46.02 44.68 3i7k n GLY 227 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i7k n GLY 228 N 0.00 -1.12 3.24 -0.02 0.00 -1.26 -4.46 105.19 101.57 3i7k n GLY 228 Ca 0.00 -1.06 -0.21 0.00 0.00 0.00 0.00 46.02 44.75 3i7k n GLY 228 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i7k s ALA 229 N -1.86 1.55 -0.14 4.61 0.00 0.42 -2.04 121.76 124.30 3i7k s ALA 229 Ca 0.00 -1.16 -0.05 0.00 0.00 0.00 0.00 51.96 50.75 3i7k s ALA 229 Cb 0.00 -0.18 -0.04 0.00 0.00 0.00 0.00 23.12 22.90 3i7k s ALA 229 CO 0.00 0.27 0.06 0.42 0.00 0.00 0.00 175.76 176.51 3i7k s ILE 230 N -1.25 4.77 -0.31 0.00 1.01 0.91 -0.57 121.20 125.75 3i7k s ILE 230 Ca 0.03 -0.06 -0.01 0.00 0.00 0.00 0.00 60.65 60.61 3i7k s ILE 230 Cb -0.10 -3.09 0.06 0.00 0.01 0.00 0.00 42.46 39.35 3i7k s ILE 230 CO 0.03 0.54 0.02 -0.63 0.00 0.00 0.00 174.94 174.90 3i7k s ILE 231 N -0.32 2.91 -0.09 2.92 1.01 0.02 -0.19 121.20 127.46 3i7k s ILE 231 Ca 0.08 -1.55 -0.23 0.00 0.00 0.00 0.00 60.65 58.96 3i7k s ILE 231 Cb -0.12 -2.74 -0.03 0.00 0.01 0.00 0.00 42.46 39.57 3i7k s ILE 231 CO 0.02 -0.20 0.69 -0.63 0.00 0.00 0.00 174.94 174.81 3i7k s ILE 232 N 1.20 5.04 0.00 2.92 1.01 -0.56 -2.84 121.20 127.98 3i7k s ILE 232 Ca -0.03 1.40 0.00 0.00 0.00 0.00 0.00 60.65 62.02 3i7k s ILE 232 Cb -0.20 -4.02 0.00 0.00 0.01 0.00 0.00 42.46 38.25 3i7k s ILE 232 CO -0.02 0.23 0.00 0.61 0.00 0.00 0.00 174.94 175.76 3i7k n GLY 233 N 3.20 6.69 3.83 6.18 0.00 -0.84 -1.33 105.19 122.91 3i7k n GLY 233 Ca -0.01 -1.92 -0.34 0.00 0.00 0.00 0.00 46.02 43.74 3i7k n GLY 233 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i7k s GLN 234 N 0.45 4.16 0.00 1.61 -1.52 -1.25 -4.47 119.66 118.65 3i7k s GLN 234 Ca 0.00 0.86 0.00 0.00 -1.95 0.00 0.00 55.36 54.27 3i7k s GLN 234 Cb 0.00 -2.54 0.00 0.00 -0.22 0.00 0.00 33.01 30.25 3i7k s GLN 234 CO 0.00 0.20 0.00 -0.85 -0.25 0.00 0.00 175.29 174.39 3i7k n GLU 235 N -0.04 0.00 -3.84 2.91 0.28 -1.26 -4.80 120.64 113.90 3i7k n GLU 235 Ca 0.02 0.00 -0.12 0.00 -0.16 0.00 0.00 57.16 56.90 3i7k n GLU 235 Cb 0.52 -1.33 -0.13 0.00 1.43 0.00 0.00 31.44 31.93 3i7k n GLU 235 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 3i7k s SER 236 N -0.47 -0.10 -0.06 -1.84 1.04 -1.26 -4.11 113.70 106.90 3i7k s SER 236 Ca 0.00 0.18 0.04 0.00 0.48 0.00 0.00 55.95 56.65 3i7k s SER 236 Cb 0.00 0.22 -0.00 0.00 0.10 0.00 0.00 66.02 66.33 3i7k s SER 236 CO 0.00 -0.06 -0.18 -0.63 0.98 0.00 0.00 173.24 173.35 3i7k s ILE 237 N -0.06 1.55 0.02 -1.02 1.01 0.08 -1.99 121.20 120.80 3i7k s ILE 237 Ca -0.01 -0.77 0.01 0.00 0.00 0.00 0.00 60.65 59.88 3i7k s ILE 237 Cb -0.01 -1.34 -0.02 0.00 0.01 0.00 0.00 42.46 41.10 3i7k s ILE 237 CO 0.00 0.44 -0.04 0.42 0.00 0.00 0.00 174.94 175.76 3i7k s THR 238 N 0.15 0.28 -0.11 2.92 -4.23 -1.13 -0.35 115.64 113.16 3i7k s THR 238 Ca -0.07 -0.74 -0.05 0.00 -1.18 0.00 0.00 61.69 59.65 3i7k s THR 238 Cb -0.13 -0.35 -0.04 0.00 1.34 0.00 0.00 72.50 73.32 3i7k s THR 238 CO 0.04 -0.30 0.08 -0.47 -0.54 0.00 0.00 174.62 173.42 3i7k s TYR 239 N -1.03 3.39 -0.01 3.99 5.04 0.10 -0.80 117.35 128.04 3i7k s TYR 239 Ca -0.09 0.35 0.04 0.00 -2.44 0.00 0.00 57.07 54.93 3i7k s TYR 239 Cb -0.07 -1.90 -0.01 0.00 0.35 0.00 0.00 41.96 40.33 3i7k s TYR 239 CO -0.00 0.57 -0.13 -1.01 -1.34 0.00 0.00 175.55 173.64 3i7k s HIS 240 N -0.82 1.19 -0.30 4.97 3.76 0.26 -1.46 115.29 122.90 3i7k s HIS 240 Ca 0.13 -0.24 -0.12 0.00 -0.15 0.00 0.00 55.06 54.68 3i7k s HIS 240 Cb -0.12 -0.78 0.18 0.00 1.11 0.00 0.00 32.58 32.98 3i7k s HIS 240 CO 0.03 -0.03 1.06 1.21 -0.85 0.00 0.00 174.74 176.16 3i7k s ASN 241 N -0.25 -0.41 1.59 1.40 3.84 -0.61 -0.43 114.94 120.07 3i7k s ASN 241 Ca 0.04 0.14 0.00 0.00 0.21 0.00 0.00 52.86 53.25 3i7k s ASN 241 Cb -0.06 1.30 0.00 0.00 -0.55 0.00 0.00 41.25 41.94 3i7k s ASN 241 CO -0.00 -0.08 0.00 0.61 -2.79 0.00 0.00 177.10 174.84 3i7k n GLY 242 N 5.30 3.56 0.06 1.21 0.00 -1.26 -0.82 105.19 113.24 3i7k n GLY 242 Ca 0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.15 3i7k n GLY 242 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3i7k n ASP 243 N 5.15 0.65 -4.71 1.61 2.03 -1.26 -4.86 116.55 115.16 3i7k n ASP 243 Ca 0.00 0.18 -0.42 0.00 0.52 0.00 0.00 54.79 55.07 3i7k n ASP 243 Cb 0.00 -0.05 -0.03 0.00 -0.72 0.00 0.00 41.12 40.32 3i7k n ASP 243 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 3i7k s LYS 244 N -3.12 4.30 -0.04 -0.67 2.47 0.00 -5.03 119.74 117.65 3i7k s LYS 244 Ca 0.08 2.11 -0.01 0.00 -1.56 0.00 0.00 55.97 56.59 3i7k s LYS 244 Cb 0.14 -3.29 0.03 0.00 -1.46 0.00 0.00 37.83 33.25 3i7k s LYS 244 CO 0.68 -0.49 0.06 -0.47 0.16 0.00 0.00 175.35 175.29 3i7k s TYR 245 N 1.35 0.03 0.10 4.03 5.04 -1.26 -1.57 117.35 125.06 3i7k s TYR 245 Ca 0.66 0.24 0.07 0.00 -2.44 0.00 0.00 57.07 55.60 3i7k s TYR 245 Cb -0.37 -0.38 -0.03 0.00 0.35 0.00 0.00 41.96 41.53 3i7k s TYR 245 CO 0.30 -0.16 -0.17 -0.51 -1.34 0.00 0.00 175.55 173.67 3i7k s LEU 246 N 1.79 2.32 -0.12 6.97 1.43 -0.53 -4.99 118.68 125.54 3i7k s LEU 246 Ca -0.00 -0.69 -0.13 0.00 -1.03 0.00 0.00 54.13 52.28 3i7k s LEU 246 Cb -0.12 -0.69 0.03 0.00 0.03 0.00 0.00 46.19 45.44 3i7k s LEU 246 CO -0.03 -0.03 0.36 0.00 0.23 0.00 0.00 176.35 176.88 3i7k s ALA 247 N -1.42 -0.89 0.07 4.21 0.00 -1.26 0.02 121.76 122.49 3i7k s ALA 247 Ca 0.04 0.92 0.03 0.00 0.00 0.00 0.00 51.96 52.96 3i7k s ALA 247 Cb -0.09 -0.49 -0.03 0.00 0.00 0.00 0.00 23.12 22.51 3i7k s ALA 247 CO 0.03 -0.19 -0.10 0.96 0.00 0.00 0.00 175.76 176.47 3i7k s ILE 248 N -0.05 0.78 -0.47 0.00 -4.36 0.53 -5.00 121.20 112.64 3i7k s ILE 248 Ca -0.02 -1.38 0.09 0.00 -0.26 0.00 0.00 60.65 59.08 3i7k s ILE 248 Cb -0.03 -1.03 0.33 0.00 1.25 0.00 0.00 42.46 42.98 3i7k s ILE 248 CO 0.01 -0.46 0.80 0.00 0.24 0.00 0.00 174.94 175.54 3i7k n ALA 249 N 1.00 3.19 -2.27 2.27 0.00 -1.26 -0.74 120.51 122.71 3i7k n ALA 249 Ca -0.19 -3.99 -0.42 0.00 0.00 0.00 0.00 53.44 48.84 3i7k n ALA 249 Cb 0.56 -0.84 -0.03 0.00 0.00 0.00 0.00 19.45 19.14 3i7k n ALA 249 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3i7k s PRO 250 N -2.76 4.33 0.51 0.00 0.04 -1.26 -4.90 135.00 130.96 3i7k s PRO 250 Ca 0.43 1.94 0.19 0.00 0.04 0.00 0.00 61.00 63.60 3i7k s PRO 250 Cb 0.30 -3.41 1.27 0.00 0.04 0.00 0.00 34.50 32.69 3i7k s PRO 250 CO -0.10 -0.45 2.06 -1.35 0.04 0.00 0.00 177.00 177.20 3i7k h PRO 251 N 7.24 0.09 -0.62 0.56 0.11 -1.99 -2.92 132.00 134.46 3i7k h PRO 251 Ca -0.40 -0.01 0.09 0.00 0.11 0.00 0.00 66.00 65.79 3i7k h PRO 251 Cb 1.20 -0.02 -0.07 0.00 0.11 0.00 0.00 31.00 32.22 3i7k h PRO 251 CO 0.87 0.06 0.27 0.82 -0.21 0.00 0.00 178.00 179.81 3i7k h ILE 252 N 0.09 0.82 -0.48 4.15 2.04 -1.98 0.88 117.51 123.04 3i7k h ILE 252 Ca 0.15 -0.17 0.14 0.00 1.00 0.00 0.00 64.86 65.99 3i7k h ILE 252 Cb 0.50 0.30 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 3i7k h ILE 252 CO -0.01 0.09 0.41 0.40 0.00 0.00 0.00 178.15 179.03 3i7k h ILE 253 N 0.48 0.55 -0.04 -0.67 2.04 -1.88 -3.28 117.51 114.72 3i7k h ILE 253 Ca 0.31 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.18 3i7k h ILE 253 Cb 0.33 0.70 -0.00 0.00 -0.74 0.00 0.00 36.82 37.11 3i7k h ILE 253 CO -0.27 0.00 0.05 0.50 0.00 0.00 0.00 178.15 178.43 3i7k h LYS 254 N 0.00 0.00 0.00 2.37 3.11 -0.94 -3.40 116.57 117.71 3i7k h LYS 254 Ca 0.23 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.07 3i7k h LYS 254 Cb 1.04 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.27 3i7k h LYS 254 CO -0.00 0.00 0.00 1.04 -2.81 0.00 0.00 179.45 177.68 3i7k n GLN 255 N -3.84 3.27 0.00 1.90 6.02 -1.24 -4.67 117.38 118.83 3i7k n GLN 255 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 3i7k n GLN 255 Cb 0.14 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.40 3i7k n GLN 255 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3i7k n SER 256 N 0.00 0.00 -4.77 1.08 2.88 -1.26 -4.85 113.62 106.69 3i7k n SER 256 Ca 0.00 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.13 3i7k n SER 256 Cb 0.00 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.45 3i7k n SER 256 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 3i7k s THR 257 N 0.00 2.46 -0.18 2.46 2.01 -1.26 -4.77 115.64 116.36 3i7k s THR 257 Ca 0.00 0.46 -0.29 0.00 0.31 0.00 0.00 61.69 62.17 3i7k s THR 257 Cb 0.00 -3.29 0.00 0.00 0.01 0.00 0.00 72.50 69.22 3i7k s THR 257 CO 0.00 0.11 1.01 -0.63 -0.69 0.00 0.00 174.62 174.42 3i7k s ILE 258 N -1.14 4.73 -0.14 1.82 1.01 -1.26 -1.77 121.20 124.45 3i7k s ILE 258 Ca 0.51 2.00 0.14 0.00 0.00 0.00 0.00 60.65 63.30 3i7k s ILE 258 Cb -0.42 -4.30 -0.19 0.00 0.01 0.00 0.00 42.46 37.56 3i7k s ILE 258 CO 0.56 -0.10 0.07 0.55 0.00 0.00 0.00 174.94 176.03 3i7k n VAL 259 N 4.99 0.97 -4.00 2.92 3.14 0.91 -4.97 118.33 122.30 3i7k n VAL 259 Ca 0.10 -0.63 -0.10 0.00 -2.96 0.00 0.00 64.34 60.76 3i7k n VAL 259 Cb 0.47 -0.55 -0.08 0.00 -1.06 0.00 0.00 33.84 32.63 3i7k n VAL 259 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3i7k s HIS 261 N -3.99 0.46 -0.06 0.00 -0.00 -1.26 -0.37 115.29 110.08 3i7k s HIS 261 Ca 0.19 -0.85 -0.23 0.00 -0.00 0.00 0.00 55.06 54.17 3i7k s HIS 261 Cb 0.04 -0.17 0.05 0.00 -0.00 0.00 0.00 32.58 32.50 3i7k s HIS 261 CO 0.01 -0.62 0.52 1.21 -0.00 0.00 0.00 174.74 175.86 3i7k s ASN 262 N -2.96 -0.46 -0.24 7.38 2.47 -0.31 -4.71 114.94 116.10 3i7k s ASN 262 Ca 0.16 0.52 -0.13 0.00 0.42 0.00 0.00 52.86 53.82 3i7k s ASN 262 Cb 0.05 0.52 -0.04 0.00 -1.45 0.00 0.00 41.25 40.33 3i7k s ASN 262 CO -0.02 -0.49 0.29 -0.60 -3.72 0.00 0.00 177.10 172.55 3i7k s ARG 263 N -1.06 4.08 -0.14 0.43 3.52 -1.26 -0.65 118.95 123.87 3i7k s ARG 263 Ca -0.11 -0.05 -0.12 0.00 -0.13 0.00 0.00 55.73 55.32 3i7k s ARG 263 Cb -0.03 -3.57 -0.09 0.00 -1.56 0.00 0.00 34.95 29.70 3i7k s ARG 263 CO 0.07 -0.07 0.10 0.28 -0.81 0.00 0.00 175.30 174.86 3i7k h VAL 264 N 5.13 0.46 -3.55 7.11 2.07 -1.54 -3.44 116.25 122.49 3i7k h VAL 264 Ca -0.36 -1.45 -0.65 0.00 0.82 0.00 0.00 66.70 65.07 3i7k h VAL 264 Cb 1.17 0.98 -0.22 0.00 -1.52 0.00 0.00 31.29 31.70 3i7k h VAL 264 CO 0.66 0.16 -0.63 -1.81 0.02 0.00 0.00 177.57 175.97 3i7k s ASP 265 N -6.00 5.08 0.62 0.57 1.01 -1.21 -4.99 116.67 111.76 3i7k s ASP 265 Ca -0.14 -0.18 0.18 0.00 0.71 0.00 0.00 52.55 53.12 3i7k s ASP 265 Cb 0.02 -1.90 0.99 0.00 1.01 0.00 0.00 42.92 43.04 3i7k s ASP 265 CO 0.31 0.01 1.54 -0.65 0.21 0.00 0.00 175.17 176.59 3i7k h PRO 266 N 7.90 0.00 0.00 8.23 0.11 -1.92 0.87 132.00 147.19 3i7k h PRO 266 Ca -0.38 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.73 3i7k h PRO 266 Cb 1.17 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 3i7k h PRO 266 CO 0.60 0.00 -0.04 -0.91 -0.21 0.00 0.00 178.00 177.44 3i7k h ASN 267 N 0.00 0.00 -3.24 -2.05 2.35 -1.96 -3.45 115.58 107.22 3i7k h ASN 267 Ca 0.00 0.00 -0.29 0.00 -0.55 0.00 0.00 56.30 55.46 3i7k h ASN 267 Cb 1.11 0.00 0.04 0.00 0.05 0.00 0.00 38.32 39.52 3i7k h ASN 267 CO 0.00 0.04 -0.43 0.61 -1.65 0.00 0.00 177.43 176.00 3i7k n GLY 268 N -0.76 -0.18 0.06 2.83 0.00 0.30 -4.59 105.19 102.85 3i7k n GLY 268 Ca -0.02 -0.14 0.12 0.00 0.00 0.00 0.00 46.02 45.98 3i7k n GLY 268 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i7k n SER 269 N -1.25 0.67 -3.71 1.61 3.41 -1.25 -4.69 113.62 108.40 3i7k n SER 269 Ca -0.09 0.06 -0.13 0.00 -0.26 0.00 0.00 58.87 58.46 3i7k n SER 269 Cb 0.59 0.22 -0.13 0.00 -0.26 0.00 0.00 64.21 64.63 3i7k n SER 269 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3i7k s ARG 270 N -3.15 0.19 0.01 4.33 0.52 -1.26 -0.31 118.95 119.28 3i7k s ARG 270 Ca 0.06 0.60 0.06 0.00 -0.52 0.00 0.00 55.73 55.94 3i7k s ARG 270 Cb 0.14 -0.10 -0.02 0.00 0.52 0.00 0.00 34.95 35.49 3i7k s ARG 270 CO 0.72 -0.20 -0.18 0.71 0.02 0.00 0.00 175.30 176.37 3i7k s TYR 271 N 1.62 1.64 0.02 -0.53 1.51 0.89 -1.25 117.35 121.25 3i7k s TYR 271 Ca -0.06 -0.33 -0.21 0.00 -1.01 0.00 0.00 57.07 55.46 3i7k s TYR 271 Cb -0.11 -1.02 -0.06 0.00 -0.11 0.00 0.00 41.96 40.66 3i7k s TYR 271 CO -0.09 0.01 0.62 -0.51 -1.11 0.00 0.00 175.55 174.48 3i7k s LEU 272 N -0.72 4.45 -0.03 -1.29 1.43 0.18 0.21 118.68 122.91 3i7k s LEU 272 Ca 0.07 1.24 0.08 0.00 -1.03 0.00 0.00 54.13 54.49 3i7k s LEU 272 Cb -0.08 -2.98 -0.02 0.00 0.03 0.00 0.00 46.19 43.15 3i7k s LEU 272 CO 0.00 0.12 -0.26 -0.76 0.23 0.00 0.00 176.35 175.69 3i7k s LEU 273 N -0.37 2.06 -0.10 1.79 1.43 0.30 -1.17 118.68 122.62 3i7k s LEU 273 Ca 0.32 -0.47 0.04 0.00 -1.03 0.00 0.00 54.13 52.98 3i7k s LEU 273 Cb -0.19 -1.35 -0.00 0.00 0.03 0.00 0.00 46.19 44.68 3i7k s LEU 273 CO 0.19 0.31 -0.23 -0.83 0.23 0.00 0.00 176.35 176.01 3i7k s GLY 274 N -0.55 1.34 0.80 -3.19 0.00 0.50 -0.18 107.32 106.05 3i7k s GLY 274 Ca 0.08 -0.97 -0.11 0.00 0.00 0.00 0.00 44.72 43.72 3i7k s GLY 274 CO -0.00 -0.34 1.09 0.99 0.00 0.00 0.00 173.10 174.84 3i7k s ASP 275 N 0.31 4.41 0.43 1.64 1.01 -0.93 -0.06 116.67 123.47 3i7k s ASP 275 Ca -0.18 1.35 0.23 0.00 0.71 0.00 0.00 52.55 54.66 3i7k s ASP 275 Cb -0.18 -2.08 0.91 0.00 1.01 0.00 0.00 42.92 42.59 3i7k s ASP 275 CO 0.09 -2.03 1.83 0.24 0.21 0.00 0.00 175.17 175.51 3i7k h MET 276 N -1.13 0.00 -0.24 8.23 2.86 -1.65 -2.52 114.93 120.48 3i7k h MET 276 Ca -0.47 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.17 3i7k h MET 276 Cb 1.27 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.93 3i7k h MET 276 CO 0.58 0.26 0.00 0.39 1.06 0.00 0.00 176.91 179.20 3i7k n GLU 277 N -3.48 1.83 -1.45 1.72 1.02 -1.26 -4.83 120.64 114.18 3i7k n GLU 277 Ca -0.00 -1.27 -0.13 0.00 -0.02 0.00 0.00 57.16 55.75 3i7k n GLU 277 Cb 0.43 -1.38 -0.05 0.00 -0.02 0.00 0.00 31.44 30.42 3i7k n GLU 277 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i7k n GLY 278 N 1.16 1.20 3.78 0.62 0.00 -0.95 -4.85 105.19 106.15 3i7k n GLY 278 Ca 0.16 -0.43 -0.37 0.00 0.00 0.00 0.00 46.02 45.37 3i7k n GLY 278 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i7k s ARG 279 N -3.22 4.50 -0.02 1.61 0.52 -1.26 -0.49 118.95 120.58 3i7k s ARG 279 Ca 0.00 1.43 0.04 0.00 -0.52 0.00 0.00 55.73 56.69 3i7k s ARG 279 Cb 0.00 -2.80 -0.03 0.00 0.52 0.00 0.00 34.95 32.64 3i7k s ARG 279 CO 0.00 0.18 -0.14 -1.17 0.02 0.00 0.00 175.30 174.19 3i7k s LEU 280 N -2.09 2.77 0.09 2.53 2.96 0.41 -2.20 118.68 123.15 3i7k s LEU 280 Ca 0.51 -0.23 0.06 0.00 -0.22 0.00 0.00 54.13 54.25 3i7k s LEU 280 Cb -0.21 -1.59 -0.03 0.00 0.50 0.00 0.00 46.19 44.86 3i7k s LEU 280 CO 0.27 0.32 -0.16 -0.36 -1.32 0.00 0.00 176.35 175.10 3i7k s PHE 281 N -0.81 1.41 -0.21 5.38 0.40 0.75 -2.05 117.98 122.85 3i7k s PHE 281 Ca 0.13 -0.46 -0.09 0.00 -0.60 0.00 0.00 56.93 55.91 3i7k s PHE 281 Cb -0.11 -0.78 -0.05 0.00 0.51 0.00 0.00 43.02 42.60 3i7k s PHE 281 CO 0.02 0.11 0.12 1.41 0.70 0.00 0.00 175.22 177.59 3i7k s MET 282 N -1.91 4.04 -0.25 0.44 1.75 -0.50 -0.53 119.30 122.33 3i7k s MET 282 Ca 0.02 -0.30 -0.06 0.00 -1.25 0.00 0.00 55.69 54.10 3i7k s MET 282 Cb -0.09 -3.40 -0.02 0.00 2.84 0.00 0.00 34.83 34.16 3i7k s MET 282 CO 0.03 0.16 0.05 -1.17 -0.65 0.00 0.00 175.02 173.44 3i7k s LEU 283 N 0.73 3.39 -0.14 4.11 2.96 0.57 -1.73 118.68 128.57 3i7k s LEU 283 Ca 0.06 -0.35 -0.02 0.00 -0.22 0.00 0.00 54.13 53.61 3i7k s LEU 283 Cb -0.13 -1.87 -0.02 0.00 0.50 0.00 0.00 46.19 44.67 3i7k s LEU 283 CO 0.02 -0.06 -0.07 -0.76 -1.32 0.00 0.00 176.35 174.16 3i7k s LEU 284 N 1.56 3.09 -0.19 -0.68 1.02 0.68 -0.07 118.68 124.09 3i7k s LEU 284 Ca 0.06 -0.17 -0.07 0.00 0.02 0.00 0.00 54.13 53.97 3i7k s LEU 284 Cb -0.15 -1.72 -0.04 0.00 0.02 0.00 0.00 46.19 44.30 3i7k s LEU 284 CO 0.02 0.20 0.05 -0.76 0.02 0.00 0.00 176.35 175.87 3i7k s LEU 285 N 0.18 3.65 -0.34 1.79 1.43 0.58 -1.63 118.68 124.35 3i7k s LEU 285 Ca -0.04 -0.01 -0.19 0.00 -1.03 0.00 0.00 54.13 52.87 3i7k s LEU 285 Cb -0.14 -1.93 -0.01 0.00 0.03 0.00 0.00 46.19 44.15 3i7k s LEU 285 CO 0.04 0.14 0.56 -0.70 0.23 0.00 0.00 176.35 176.62 3i7k s GLU 286 N 0.59 3.72 -0.04 1.70 2.12 -0.13 -4.80 118.70 121.86 3i7k s GLU 286 Ca 0.02 0.01 -0.27 0.00 0.36 0.00 0.00 54.97 55.09 3i7k s GLU 286 Cb -0.13 -3.78 -0.03 0.00 0.26 0.00 0.00 34.13 30.45 3i7k s GLU 286 CO 0.02 -0.63 0.88 0.15 -0.54 0.00 0.00 175.26 175.13 3i7k s LYS 287 N 2.51 4.49 -0.44 4.30 1.02 -1.26 0.53 119.74 130.88 3i7k s LYS 287 Ca 0.21 1.20 0.02 0.00 0.02 0.00 0.00 55.97 57.43 3i7k s LYS 287 Cb -0.15 -3.47 0.12 0.00 -0.52 0.00 0.00 37.83 33.80 3i7k s LYS 287 CO 0.13 -0.06 0.18 -1.21 -0.92 0.00 0.00 175.35 173.48 3i7k s GLU 288 N 1.11 1.85 0.64 1.68 0.41 0.18 -4.85 118.70 119.73 3i7k s GLU 288 Ca 0.46 -2.15 -0.17 0.00 -0.41 0.00 0.00 54.97 52.70 3i7k s GLU 288 Cb -0.19 -3.38 -0.01 0.00 -1.78 0.00 0.00 34.13 28.77 3i7k s GLU 288 CO 0.23 -1.04 1.19 -2.00 -0.49 0.00 0.00 175.26 173.14 3i7k s GLU 289 N 0.51 2.74 0.00 1.61 2.12 -1.26 -2.15 118.70 122.27 3i7k s GLU 289 Ca 0.13 1.72 0.00 0.00 0.36 0.00 0.00 54.97 57.18 3i7k s GLU 289 Cb -0.22 -1.91 0.00 0.00 0.26 0.00 0.00 34.13 32.26 3i7k s GLU 289 CO -0.05 -1.36 0.00 1.04 -0.54 0.00 0.00 175.26 174.35 3i7k n GLN 290 N -2.02 0.00 -3.34 4.30 6.02 -0.79 -4.95 117.38 116.60 3i7k n GLN 290 Ca 0.13 0.00 0.02 0.00 -0.01 0.00 0.00 57.00 57.14 3i7k n GLN 290 Cb 0.50 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.73 3i7k n GLN 290 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 3i7k s MET 291 N 3.87 0.30 0.00 -1.09 -1.94 -1.26 -4.83 119.30 114.34 3i7k s MET 291 Ca 0.00 0.69 0.00 0.00 -1.71 0.00 0.00 55.69 54.67 3i7k s MET 291 Cb 0.00 0.41 0.00 0.00 2.01 0.00 0.00 34.83 37.25 3i7k s MET 291 CO 0.00 -0.16 0.00 -0.25 -0.01 0.00 0.00 175.02 174.60 3i7k n ASP 292 N 5.11 0.00 -1.29 3.03 10.43 -1.26 -4.78 116.55 127.79 3i7k n ASP 292 Ca -0.08 0.00 0.05 0.00 2.57 0.00 0.00 54.79 57.33 3i7k n ASP 292 Cb 0.53 -0.18 0.25 0.00 1.84 0.00 0.00 41.12 43.56 3i7k n ASP 292 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3i7k n GLY 293 N -0.69 2.18 7.00 0.44 0.00 -1.26 -5.06 105.19 107.81 3i7k n GLY 293 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.43 3i7k n GLY 293 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3i7k n THR 294 N 0.54 0.00 -4.35 2.61 -1.04 -1.26 -4.77 114.28 106.00 3i7k n THR 294 Ca 0.18 0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 61.85 3i7k n THR 294 Cb 0.76 0.00 -0.11 0.00 -1.82 0.00 0.00 70.33 69.16 3i7k n THR 294 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 3i7k s VAL 295 N 0.00 4.06 0.35 12.58 -7.23 -1.26 -1.88 120.40 127.02 3i7k s VAL 295 Ca 0.00 -0.30 0.06 0.00 -1.81 0.00 0.00 61.98 59.93 3i7k s VAL 295 Cb 0.00 -2.78 -0.07 0.00 0.56 0.00 0.00 36.38 34.10 3i7k s VAL 295 CO 0.00 0.50 -0.00 0.28 -0.31 0.00 0.00 175.10 175.57 3i7k s THR 296 N 0.20 1.73 -0.42 5.32 -1.32 -0.92 -4.85 115.64 115.38 3i7k s THR 296 Ca -0.01 -2.05 -0.16 0.00 -1.21 0.00 0.00 61.69 58.26 3i7k s THR 296 Cb -0.13 -2.78 0.02 0.00 -1.51 0.00 0.00 72.50 68.10 3i7k s THR 296 CO 0.02 -0.09 0.36 -0.22 -2.21 0.00 0.00 174.62 172.48 3i7k s LEU 297 N -3.58 5.05 -0.00 9.08 0.20 -1.26 0.52 118.68 128.68 3i7k s LEU 297 Ca 0.34 -0.85 -0.19 0.00 0.69 0.00 0.00 54.13 54.13 3i7k s LEU 297 Cb 0.07 -2.25 -0.32 0.00 -0.43 0.00 0.00 46.19 43.27 3i7k s LEU 297 CO 0.16 -0.51 0.98 0.50 -0.29 0.00 0.00 176.35 177.18 3i7k h LYS 298 N 8.68 0.44 -2.92 1.98 3.64 -0.25 -3.48 116.57 124.66 3i7k h LYS 298 Ca -0.27 -0.69 0.07 0.00 -1.27 0.00 0.00 60.65 58.49 3i7k h LYS 298 Cb 1.12 0.25 -0.05 0.00 -0.41 0.00 0.00 32.23 33.14 3i7k h LYS 298 CO 0.76 1.32 0.27 0.34 -2.27 0.00 0.00 179.45 179.87 3i7k s ASP 299 N -7.22 -0.21 0.14 4.20 -1.08 -1.25 -5.01 116.67 106.24 3i7k s ASP 299 Ca -0.11 -0.65 0.10 0.00 -0.52 0.00 0.00 52.55 51.37 3i7k s ASP 299 Cb 0.03 0.71 -0.04 0.00 -1.46 0.00 0.00 42.92 42.16 3i7k s ASP 299 CO 0.88 -1.33 -0.23 -0.76 0.52 0.00 0.00 175.17 174.25 3i7k s LEU 300 N -2.95 2.47 -0.08 -1.34 1.43 -1.26 -0.96 118.68 115.99 3i7k s LEU 300 Ca 0.12 -0.72 -0.18 0.00 -1.03 0.00 0.00 54.13 52.31 3i7k s LEU 300 Cb -0.05 -1.31 0.04 0.00 0.03 0.00 0.00 46.19 44.90 3i7k s LEU 300 CO 0.07 0.16 0.44 -0.60 0.23 0.00 0.00 176.35 176.65 3i7k s ARG 301 N -2.26 0.70 -0.02 1.70 3.52 -0.65 -4.99 118.95 116.95 3i7k s ARG 301 Ca 0.17 0.22 0.05 0.00 -0.13 0.00 0.00 55.73 56.04 3i7k s ARG 301 Cb -0.10 0.32 -0.01 0.00 -1.56 0.00 0.00 34.95 33.61 3i7k s ARG 301 CO 0.08 -0.17 -0.16 0.08 -0.81 0.00 0.00 175.30 174.32 3i7k s VAL 302 N -0.69 1.30 -0.03 7.11 1.01 -1.26 -0.23 120.40 127.62 3i7k s VAL 302 Ca -0.08 -0.69 0.01 0.00 0.00 0.00 0.00 61.98 61.22 3i7k s VAL 302 Cb -0.03 -1.10 0.01 0.00 0.00 0.00 0.00 36.38 35.26 3i7k s VAL 302 CO 0.04 0.37 -0.04 -1.61 0.00 0.00 0.00 175.10 173.86 3i7k s GLU 303 N -0.27 0.57 -0.42 2.72 2.02 -0.71 -4.97 118.70 117.63 3i7k s GLU 303 Ca 0.04 -0.10 -0.29 0.00 0.02 0.00 0.00 54.97 54.65 3i7k s GLU 303 Cb -0.08 -0.60 0.01 0.00 0.10 0.00 0.00 34.13 33.56 3i7k s GLU 303 CO -0.00 -0.02 1.47 -1.17 0.02 0.00 0.00 175.26 175.57 3i7k s LEU 304 N 0.55 3.54 0.18 1.80 2.96 -1.26 -1.41 118.68 125.04 3i7k s LEU 304 Ca -0.06 0.81 0.13 0.00 -0.22 0.00 0.00 54.13 54.79 3i7k s LEU 304 Cb -0.10 -3.46 -0.06 0.00 0.50 0.00 0.00 46.19 43.07 3i7k s LEU 304 CO -0.00 -1.53 1.26 -0.07 -1.32 0.00 0.00 176.35 174.69 3i7k h LEU 305 N 12.61 0.00 0.00 -0.68 3.38 -1.77 -3.46 115.31 125.39 3i7k h LEU 305 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 3i7k h LEU 305 Cb 1.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.86 3i7k h LEU 305 CO 1.09 0.68 0.00 0.61 0.09 0.00 0.00 178.44 180.91 3i7k n GLY 306 N 1.30 0.01 2.85 0.83 0.00 -1.23 -0.26 105.19 108.71 3i7k n GLY 306 Ca -0.01 -0.92 -0.14 0.00 0.00 0.00 0.00 46.02 44.95 3i7k n GLY 306 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3i7k s GLU 307 N -2.00 0.03 0.00 1.61 -1.05 -1.26 -0.45 118.70 115.59 3i7k s GLU 307 Ca 0.00 0.31 0.00 0.00 -0.15 0.00 0.00 54.97 55.13 3i7k s GLU 307 Cb 0.00 -0.22 0.00 0.00 -0.44 0.00 0.00 34.13 33.47 3i7k s GLU 307 CO 0.00 -0.18 0.00 0.25 0.95 0.00 0.00 175.26 176.28 3i7k n THR 308 N 4.27 0.00 -4.12 1.83 -2.24 0.35 -4.94 114.28 109.43 3i7k n THR 308 Ca -0.26 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.43 3i7k n THR 308 Cb 0.51 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.64 3i7k n THR 308 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3i7k s SER 309 N -1.00 0.26 -0.03 3.42 1.04 -1.26 -5.01 113.70 111.13 3i7k s SER 309 Ca 0.00 -1.15 -0.33 0.00 0.48 0.00 0.00 55.95 54.95 3i7k s SER 309 Cb 0.00 0.32 -0.11 0.00 0.10 0.00 0.00 66.02 66.32 3i7k s SER 309 CO 0.00 -0.76 1.86 -0.38 0.98 0.00 0.00 173.24 174.95 3i7k n ILE 310 N -0.11 0.54 -4.03 -1.02 5.41 -1.26 -4.80 119.36 114.09 3i7k n ILE 310 Ca -0.06 -0.10 -0.35 0.00 1.00 0.00 0.00 62.75 63.25 3i7k n ILE 310 Cb 0.64 -1.93 -0.09 0.00 -0.71 0.00 0.00 39.64 37.54 3i7k n ILE 310 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3i7k s ALA 311 N 3.72 3.45 -0.22 -1.39 0.00 -1.26 -3.91 121.76 122.16 3i7k s ALA 311 Ca 0.90 -0.74 0.17 0.00 0.00 0.00 0.00 51.96 52.30 3i7k s ALA 311 Cb -0.63 -1.88 0.09 0.00 0.00 0.00 0.00 23.12 20.69 3i7k s ALA 311 CO 0.48 0.28 1.36 0.93 0.00 0.00 0.00 175.76 178.80 3i7k h GLU 312 N 6.32 0.00 -2.67 0.00 4.39 0.08 -3.45 114.58 119.26 3i7k h GLU 312 Ca -0.41 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.16 3i7k h GLU 312 Cb 1.18 0.00 -0.28 0.00 -0.10 0.00 0.00 28.75 29.54 3i7k h GLU 312 CO 0.68 0.33 -0.38 0.00 -1.16 0.00 0.00 179.01 178.47 3i7k s LEU 314 N 2.04 1.21 -0.24 0.00 2.96 -1.26 0.84 118.68 124.22 3i7k s LEU 314 Ca -0.05 -0.21 -0.02 0.00 -0.22 0.00 0.00 54.13 53.64 3i7k s LEU 314 Cb -0.11 -0.64 0.08 0.00 0.50 0.00 0.00 46.19 46.02 3i7k s LEU 314 CO -0.12 -0.08 0.05 -0.89 -1.32 0.00 0.00 176.35 174.00 3i7k s THR 315 N 1.30 0.72 0.09 3.68 2.01 -0.63 -4.56 115.64 118.25 3i7k s THR 315 Ca -0.04 -0.93 -0.32 0.00 0.31 0.00 0.00 61.69 60.70 3i7k s THR 315 Cb -0.14 -1.33 -0.12 0.00 0.01 0.00 0.00 72.50 70.92 3i7k s THR 315 CO -0.03 -0.39 1.79 0.00 -0.69 0.00 0.00 174.62 175.30 3i7k n TYR 316 N 4.95 2.49 0.00 4.92 9.36 -1.26 -1.56 117.16 136.06 3i7k n TYR 316 Ca -0.07 -0.02 0.00 0.00 3.32 0.00 0.00 57.90 61.13 3i7k n TYR 316 Cb 0.45 -2.68 0.00 0.00 -0.63 0.00 0.00 39.34 36.48 3i7k n TYR 316 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 3i7k n LEU 317 N 5.28 0.00 -4.27 2.98 4.77 0.34 -4.95 117.00 121.15 3i7k n LEU 317 Ca 0.19 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.91 3i7k n LEU 317 Cb 0.34 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.29 3i7k n LEU 317 CO 0.67 0.00 -0.53 -0.62 -1.33 0.00 0.00 177.39 175.58 3i7k s ASP 318 N -0.81 2.59 -1.26 -1.43 -1.08 -1.25 -4.87 116.67 108.56 3i7k s ASP 318 Ca 0.00 -0.56 -0.06 0.00 -0.52 0.00 0.00 52.55 51.42 3i7k s ASP 318 Cb 0.00 -0.21 0.01 0.00 -1.46 0.00 0.00 42.92 41.26 3i7k s ASP 318 CO 0.00 0.16 1.09 0.59 0.52 0.00 0.00 175.17 177.53 3i7k n ASN 319 N 1.71 -4.74 -0.36 -0.34 3.02 -1.26 -1.83 115.26 111.47 3i7k n ASN 319 Ca -0.17 -0.55 -0.05 0.00 -0.03 0.00 0.00 54.58 53.78 3i7k n ASN 319 Cb 0.53 -4.94 -0.02 0.00 -0.61 0.00 0.00 39.78 34.74 3i7k n ASN 319 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i7k n GLY 320 N -1.67 0.74 3.66 7.41 0.00 -1.26 -4.88 105.19 109.20 3i7k n GLY 320 Ca -0.10 -0.70 -0.35 0.00 0.00 0.00 0.00 46.02 44.87 3i7k n GLY 320 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i7k s VAL 321 N -2.14 4.73 -0.05 1.61 1.01 -0.76 0.15 120.40 124.94 3i7k s VAL 321 Ca 0.00 -0.07 0.05 0.00 0.00 0.00 0.00 61.98 61.96 3i7k s VAL 321 Cb 0.00 -3.09 -0.01 0.00 0.00 0.00 0.00 36.38 33.28 3i7k s VAL 321 CO 0.00 0.51 -0.20 -0.69 0.00 0.00 0.00 175.10 174.71 3i7k s VAL 322 N -0.03 1.69 -0.17 2.92 1.01 0.15 -0.51 120.40 125.47 3i7k s VAL 322 Ca 0.06 -0.86 -0.15 0.00 0.00 0.00 0.00 61.98 61.03 3i7k s VAL 322 Cb -0.12 -1.44 -0.04 0.00 0.00 0.00 0.00 36.38 34.77 3i7k s VAL 322 CO 0.01 0.48 0.34 0.12 0.00 0.00 0.00 175.10 176.05 3i7k s PHE 323 N -0.01 3.44 -0.44 5.22 5.36 -0.60 0.18 117.98 131.13 3i7k s PHE 323 Ca -0.05 0.63 -0.10 0.00 -0.96 0.00 0.00 56.93 56.46 3i7k s PHE 323 Cb -0.13 -2.42 0.09 0.00 -0.34 0.00 0.00 43.02 40.22 3i7k s PHE 323 CO 0.03 0.15 0.29 0.08 -1.46 0.00 0.00 175.22 174.31 3i7k s VAL 324 N 0.75 4.29 -0.15 3.12 1.01 0.18 -1.61 120.40 128.00 3i7k s VAL 324 Ca 0.18 -1.48 -0.27 0.00 0.00 0.00 0.00 61.98 60.41 3i7k s VAL 324 Cb -0.14 -3.68 -0.01 0.00 0.00 0.00 0.00 36.38 32.55 3i7k s VAL 324 CO 0.06 -0.59 0.89 -0.83 0.00 0.00 0.00 175.10 174.64 3i7k s GLY 325 N 2.31 2.16 0.02 4.51 0.00 0.25 -2.12 107.32 114.45 3i7k s GLY 325 Ca 0.04 0.14 0.08 0.00 0.00 0.00 0.00 44.72 44.98 3i7k s GLY 325 CO 0.02 1.76 -0.25 -0.45 0.00 0.00 0.00 173.10 174.18 3i7k s SER 326 N 1.13 2.94 -0.21 1.64 0.15 -1.26 0.78 113.70 118.87 3i7k s SER 326 Ca 0.41 -0.53 0.01 0.00 0.70 0.00 0.00 55.95 56.55 3i7k s SER 326 Cb -0.17 -0.28 -0.14 0.00 -1.71 0.00 0.00 66.02 63.72 3i7k s SER 326 CO 0.14 0.26 -0.19 -1.14 1.20 0.00 0.00 173.24 173.50 3i7k n ARG 327 N 2.03 0.52 0.00 5.44 0.63 -1.25 -2.13 116.66 121.89 3i7k n ARG 327 Ca -0.17 0.12 0.11 0.00 -0.92 0.00 0.00 57.85 57.00 3i7k n ARG 327 Cb 0.52 -1.41 0.04 0.00 0.45 0.00 0.00 32.46 32.05 3i7k n ARG 327 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 3i7k n LEU 328 N -3.15 0.87 0.00 6.15 4.77 -1.26 -4.12 117.00 120.25 3i7k n LEU 328 Ca -0.37 -0.32 -0.13 0.00 -0.03 0.00 0.00 56.01 55.15 3i7k n LEU 328 Cb 0.89 -0.09 -0.05 0.00 -2.33 0.00 0.00 43.42 41.84 3i7k n LEU 328 CO 0.20 0.21 -0.01 0.61 -1.33 0.00 0.00 177.39 177.07 3i7k n GLY 329 N 1.49 2.91 3.75 -0.72 0.00 -1.26 -2.92 105.19 108.45 3i7k n GLY 329 Ca 0.05 -1.74 -0.37 0.00 0.00 0.00 0.00 46.02 43.95 3i7k n GLY 329 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i7k s ASP 330 N -2.71 5.40 0.86 1.61 1.11 -1.26 -4.58 116.67 117.09 3i7k s ASP 330 Ca 0.27 2.55 -0.13 0.00 0.18 0.00 0.00 52.55 55.43 3i7k s ASP 330 Cb 0.01 -2.62 0.13 0.00 1.07 0.00 0.00 42.92 41.51 3i7k s ASP 330 CO 0.19 -1.47 1.22 -0.44 1.18 0.00 0.00 175.17 175.85 3i7k s SER 331 N -1.24 3.94 -0.11 0.27 0.01 0.11 -4.61 113.70 112.07 3i7k s SER 331 Ca 0.72 0.49 -0.30 0.00 1.31 0.00 0.00 55.95 58.17 3i7k s SER 331 Cb -0.35 -0.80 0.12 0.00 0.21 0.00 0.00 66.02 65.20 3i7k s SER 331 CO 0.40 -2.22 0.98 0.00 0.41 0.00 0.00 173.24 172.81 3i7k s GLN 332 N -5.66 0.64 -0.15 12.44 -2.07 -0.90 0.11 119.66 124.07 3i7k s GLN 332 Ca 0.67 -0.05 -0.07 0.00 -1.82 0.00 0.00 55.36 54.09 3i7k s GLN 332 Cb -0.08 0.30 -0.04 0.00 -1.09 0.00 0.00 33.01 32.10 3i7k s GLN 332 CO 0.50 -0.24 0.10 -1.17 -1.32 0.00 0.00 175.29 173.16 3i7k s LEU 333 N -1.74 4.09 -0.02 2.60 2.96 -0.09 0.50 118.68 127.00 3i7k s LEU 333 Ca 0.02 0.26 0.01 0.00 -0.22 0.00 0.00 54.13 54.20 3i7k s LEU 333 Cb -0.01 -2.02 0.02 0.00 0.50 0.00 0.00 46.19 44.68 3i7k s LEU 333 CO -0.03 0.28 -0.01 0.54 -1.32 0.00 0.00 176.35 175.81 3i7k s VAL 334 N -0.25 0.15 -0.10 1.68 0.11 0.13 -1.34 120.40 120.78 3i7k s VAL 334 Ca 0.10 0.02 -0.15 0.00 -2.93 0.00 0.00 61.98 59.01 3i7k s VAL 334 Cb -0.12 -0.20 -0.05 0.00 -1.53 0.00 0.00 36.38 34.48 3i7k s VAL 334 CO 0.01 0.10 0.38 -0.75 -3.33 0.00 0.00 175.10 171.51 3i7k s LYS 335 N 0.56 4.16 -0.20 1.54 2.47 0.14 0.31 119.74 128.71 3i7k s LYS 335 Ca -0.05 0.30 -0.10 0.00 -1.56 0.00 0.00 55.97 54.55 3i7k s LYS 335 Cb -0.08 -3.36 -0.05 0.00 -1.46 0.00 0.00 37.83 32.88 3i7k s LYS 335 CO -0.01 0.36 0.13 -0.51 0.16 0.00 0.00 175.35 175.48 3i7k s LEU 336 N 0.01 4.18 0.18 5.43 1.43 0.39 -1.22 118.68 129.09 3i7k s LEU 336 Ca 0.22 0.21 0.07 0.00 -1.03 0.00 0.00 54.13 53.59 3i7k s LEU 336 Cb -0.15 -2.09 -0.04 0.00 0.03 0.00 0.00 46.19 43.95 3i7k s LEU 336 CO 0.09 0.17 0.06 0.20 0.23 0.00 0.00 176.35 177.09 3i7k s ASN 337 N 0.45 5.07 -0.07 2.29 0.01 0.13 -4.74 114.94 118.09 3i7k s ASN 337 Ca 0.08 -0.30 -0.25 0.00 -0.71 0.00 0.00 52.86 51.68 3i7k s ASN 337 Cb -0.11 -1.18 -0.20 0.00 0.41 0.00 0.00 41.25 40.16 3i7k s ASN 337 CO -0.01 0.07 0.99 0.58 -1.51 0.00 0.00 177.10 177.22 3i7k h VAL 338 N 2.24 1.34 -3.45 1.60 2.07 -1.99 -3.45 116.25 114.61 3i7k h VAL 338 Ca -0.47 -1.49 -0.54 0.00 0.82 0.00 0.00 66.70 65.02 3i7k h VAL 338 Cb 1.21 2.29 -0.03 0.00 -1.52 0.00 0.00 31.29 33.24 3i7k h VAL 338 CO 0.60 0.36 0.13 -1.81 0.02 0.00 0.00 177.57 176.87 3i7k s ASP 339 N -5.79 7.30 0.03 0.57 1.01 -1.26 -5.04 116.67 113.50 3i7k s ASP 339 Ca -0.16 1.55 -0.30 0.00 0.71 0.00 0.00 52.55 54.35 3i7k s ASP 339 Cb -0.00 -2.46 -0.04 0.00 1.01 0.00 0.00 42.92 41.42 3i7k s ASP 339 CO 0.61 0.22 1.09 -0.94 0.21 0.00 0.00 175.17 176.37 3i7k s SER 340 N -1.16 7.22 0.03 0.27 1.04 -1.26 -4.73 113.70 115.11 3i7k s SER 340 Ca 0.34 1.84 0.00 0.00 0.48 0.00 0.00 55.95 58.61 3i7k s SER 340 Cb -0.22 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.33 3i7k s SER 340 CO 0.24 -0.37 0.00 -0.46 0.98 0.00 0.00 173.24 173.64 3i7k n ASN 341 N 3.91 -0.01 -4.29 7.02 6.94 -0.14 -4.76 115.26 123.95 3i7k n ASN 341 Ca 0.07 -0.03 -0.35 0.00 -0.02 0.00 0.00 54.58 54.26 3i7k n ASN 341 Cb 0.49 0.00 0.08 0.00 -2.36 0.00 0.00 39.78 37.99 3i7k n ASN 341 CO 0.00 0.00 0.00 1.21 -1.03 0.00 0.00 177.26 177.44 3i7k n GLU 342 N -0.04 -0.07 0.00 -3.83 2.13 -1.26 -1.80 120.64 115.78 3i7k n GLU 342 Ca 0.00 0.01 0.00 0.00 0.66 0.00 0.00 57.16 57.83 3i7k n GLU 342 Cb 0.00 -1.54 0.00 0.00 0.27 0.00 0.00 31.44 30.17 3i7k n GLU 342 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 3i7k n GLN 343 N -0.04 0.00 -2.47 5.31 3.00 -1.26 -2.88 117.38 119.04 3i7k n GLN 343 Ca 0.05 0.00 -0.00 0.00 -0.01 0.00 0.00 57.00 57.04 3i7k n GLN 343 Cb 0.53 -3.80 0.00 0.00 0.00 0.00 0.00 30.24 26.97 3i7k n GLN 343 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3i7k n GLY 344 N -1.76 0.91 3.53 1.08 0.00 -0.74 -5.07 105.19 103.15 3i7k n GLY 344 Ca 0.00 -0.69 -0.34 0.00 0.00 0.00 0.00 46.02 45.00 3i7k n GLY 344 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i7k s SER 345 N -3.00 4.60 0.00 1.61 0.15 -1.14 -4.80 113.70 111.11 3i7k s SER 345 Ca 0.00 -0.09 0.26 0.00 0.70 0.00 0.00 55.95 56.83 3i7k s SER 345 Cb -0.00 -1.37 0.71 0.00 -1.71 0.00 0.00 66.02 63.65 3i7k s SER 345 CO 0.00 0.29 1.54 -1.22 1.20 0.00 0.00 173.24 175.06 3i7k n TYR 346 N 2.71 0.00 -4.26 3.44 4.02 0.65 -0.96 117.16 122.76 3i7k n TYR 346 Ca -0.18 0.00 -0.34 0.00 -0.01 0.00 0.00 57.90 57.37 3i7k n TYR 346 Cb 0.53 -0.23 -0.13 0.00 -0.02 0.00 0.00 39.34 39.49 3i7k n TYR 346 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 3i7k s VAL 347 N -2.81 3.68 -0.06 -0.72 1.01 -1.22 0.20 120.40 120.49 3i7k s VAL 347 Ca 0.17 -0.42 0.02 0.00 0.00 0.00 0.00 61.98 61.75 3i7k s VAL 347 Cb 0.18 -2.63 0.02 0.00 0.00 0.00 0.00 36.38 33.95 3i7k s VAL 347 CO 0.61 0.46 -0.10 -0.69 0.00 0.00 0.00 175.10 175.39 3i7k s VAL 348 N 0.78 0.95 0.06 2.92 1.01 -0.35 -4.90 120.40 120.86 3i7k s VAL 348 Ca -0.01 -0.37 -0.29 0.00 0.00 0.00 0.00 61.98 61.31 3i7k s VAL 348 Cb -0.15 -0.88 -0.05 0.00 0.00 0.00 0.00 36.38 35.30 3i7k s VAL 348 CO 0.02 0.31 0.92 0.00 0.00 0.00 0.00 175.10 176.35 3i7k s ALA 349 N 0.70 3.25 -0.28 5.51 0.00 -1.26 0.26 121.76 129.94 3i7k s ALA 349 Ca -0.13 0.49 -0.11 0.00 0.00 0.00 0.00 51.96 52.21 3i7k s ALA 349 Cb -0.15 -3.23 -0.13 0.00 0.00 0.00 0.00 23.12 19.61 3i7k s ALA 349 CO 0.03 -0.07 -0.33 -1.33 0.00 0.00 0.00 175.76 174.06 3i7k n MET 350 N 3.15 0.60 -4.09 0.00 2.81 -0.45 -4.87 117.12 114.27 3i7k n MET 350 Ca 0.02 0.24 -0.11 0.00 -1.81 0.00 0.00 57.70 56.04 3i7k n MET 350 Cb 0.50 -1.50 -0.11 0.00 -0.71 0.00 0.00 33.22 31.40 3i7k n MET 350 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 3i7k s GLU 351 N -2.51 0.60 -0.08 0.03 2.12 -0.99 -4.97 118.70 112.90 3i7k s GLU 351 Ca -0.38 -0.94 0.01 0.00 0.36 0.00 0.00 54.97 54.01 3i7k s GLU 351 Cb 0.14 -0.18 0.02 0.00 0.26 0.00 0.00 34.13 34.37 3i7k s GLU 351 CO 0.51 0.01 -0.08 0.99 -0.54 0.00 0.00 175.26 176.14 3i7k s THR 352 N -2.24 0.94 -0.18 -1.70 2.01 -1.26 -0.91 115.64 112.30 3i7k s THR 352 Ca -0.03 -0.31 -0.02 0.00 0.31 0.00 0.00 61.69 61.64 3i7k s THR 352 Cb -0.04 -0.92 -0.01 0.00 0.01 0.00 0.00 72.50 71.54 3i7k s THR 352 CO -0.02 0.33 -0.08 -0.36 -0.69 0.00 0.00 174.62 173.80 3i7k s PHE 353 N 1.15 2.92 -0.24 4.92 0.40 0.31 -4.93 117.98 122.50 3i7k s PHE 353 Ca -0.06 -0.74 -0.36 0.00 -0.60 0.00 0.00 56.93 55.16 3i7k s PHE 353 Cb -0.14 -1.99 -0.13 0.00 0.51 0.00 0.00 43.02 41.28 3i7k s PHE 353 CO -0.02 -0.35 1.95 2.41 0.70 0.00 0.00 175.22 179.92 3i7k n THR 354 N 4.14 0.37 -4.17 0.64 -1.04 -1.26 0.10 114.28 113.06 3i7k n THR 354 Ca -0.18 -0.15 -0.33 0.00 -2.04 0.00 0.00 64.05 61.35 3i7k n THR 354 Cb 0.52 -1.63 -0.16 0.00 -1.82 0.00 0.00 70.33 67.24 3i7k n THR 354 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 3i7k s ASN 355 N 5.12 3.15 0.00 8.00 2.47 -1.26 -4.82 114.94 127.60 3i7k s ASN 355 Ca 1.00 -0.64 0.00 0.00 0.42 0.00 0.00 52.86 53.64 3i7k s ASN 355 Cb -0.85 -1.48 0.00 0.00 -1.45 0.00 0.00 41.25 37.47 3i7k s ASN 355 CO 0.55 0.01 0.48 0.18 -3.72 0.00 0.00 177.10 174.60 3i7k n LEU 356 N 4.57 0.03 0.00 3.21 4.77 -1.26 -4.64 117.00 123.67 3i7k n LEU 356 Ca -0.21 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.76 3i7k n LEU 356 Cb 0.50 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 3i7k n LEU 356 CO 0.26 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.94 3i7k n GLY 357 N 0.01 -0.14 3.64 -0.72 0.00 -1.26 -3.27 105.19 103.45 3i7k n GLY 357 Ca 0.00 -0.96 -0.43 0.00 0.00 0.00 0.00 46.02 44.63 3i7k n GLY 357 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3i7k s PRO 358 N 0.00 3.97 -0.46 1.61 0.02 -1.09 -2.53 135.00 136.53 3i7k s PRO 358 Ca 0.00 1.88 -0.28 0.00 0.02 0.00 0.00 61.00 62.62 3i7k s PRO 358 Cb 0.00 -4.00 -0.01 0.00 0.02 0.00 0.00 34.50 30.51 3i7k s PRO 358 CO 0.00 -1.08 1.71 0.42 -0.33 0.00 0.00 177.00 177.72 3i7k s ILE 359 N 4.66 3.54 -0.02 2.83 1.01 0.42 -2.47 121.20 131.17 3i7k s ILE 359 Ca 0.71 0.49 -0.09 0.00 0.00 0.00 0.00 60.65 61.76 3i7k s ILE 359 Cb -0.28 -3.92 -0.30 0.00 0.01 0.00 0.00 42.46 37.97 3i7k s ILE 359 CO 0.28 -0.71 0.78 0.58 0.00 0.00 0.00 174.94 175.87 3i7k h VAL 360 N 6.73 1.06 -2.95 2.92 2.07 -1.18 -3.37 116.25 121.53 3i7k h VAL 360 Ca -0.29 -2.64 -0.01 0.00 0.82 0.00 0.00 66.70 64.58 3i7k h VAL 360 Cb 1.15 2.80 -0.12 0.00 -1.52 0.00 0.00 31.29 33.60 3i7k h VAL 360 CO 1.12 0.84 0.23 -0.62 0.02 0.00 0.00 177.57 179.15 3i7k s ASP 361 N -7.23 -0.55 0.34 0.57 2.15 -1.24 -4.75 116.67 105.97 3i7k s ASP 361 Ca -0.13 -0.01 -0.16 0.00 0.43 0.00 0.00 52.55 52.68 3i7k s ASP 361 Cb 0.06 0.59 0.04 0.00 -0.30 0.00 0.00 42.92 43.30 3i7k s ASP 361 CO 0.87 -0.96 0.72 0.00 -0.17 0.00 0.00 175.17 175.64 3i7k s MET 362 N -3.71 2.03 -0.02 4.34 0.23 -1.26 -0.30 119.30 120.61 3i7k s MET 362 Ca 0.01 -1.31 -0.29 0.00 -1.03 0.00 0.00 55.69 53.08 3i7k s MET 362 Cb -0.01 0.60 0.09 0.00 -1.53 0.00 0.00 34.83 33.97 3i7k s MET 362 CO -0.12 -0.93 0.75 0.00 -2.03 0.00 0.00 175.02 172.69 3i7k s VAL 364 N -1.98 5.13 -0.06 0.00 1.01 -1.26 -1.36 120.40 121.87 3i7k s VAL 364 Ca -0.04 0.82 0.03 0.00 0.00 0.00 0.00 61.98 62.79 3i7k s VAL 364 Cb -0.00 -3.79 0.00 0.00 0.00 0.00 0.00 36.38 32.59 3i7k s VAL 364 CO 0.01 0.17 -0.16 -0.69 0.00 0.00 0.00 175.10 174.43 3i7k s VAL 365 N 1.75 1.39 -1.08 2.92 1.01 0.76 -4.90 120.40 122.26 3i7k s VAL 365 Ca 0.21 -0.66 -0.25 0.00 0.00 0.00 0.00 61.98 61.28 3i7k s VAL 365 Cb -0.15 -1.22 -0.15 0.00 0.00 0.00 0.00 36.38 34.86 3i7k s VAL 365 CO 0.09 0.41 2.06 -1.81 0.00 0.00 0.00 175.10 175.84 3i7k s ASP 366 N 0.35 4.26 0.02 3.32 1.11 -1.26 -1.97 116.67 122.50 3i7k s ASP 366 Ca -0.11 -1.13 -0.26 0.00 0.18 0.00 0.00 52.55 51.24 3i7k s ASP 366 Cb -0.14 -2.59 -0.16 0.00 1.07 0.00 0.00 42.92 41.10 3i7k s ASP 366 CO 0.04 -3.83 1.27 -0.07 1.18 0.00 0.00 175.17 173.76 3i7k h LEU 367 N 20.13 -0.45 -3.84 1.23 3.38 -1.90 -2.97 115.31 130.90 3i7k h LEU 367 Ca 0.10 -0.12 -0.52 0.00 0.09 0.00 0.00 57.88 57.43 3i7k h LEU 367 Cb 0.97 0.12 -0.22 0.00 0.09 0.00 0.00 40.66 41.62 3i7k h LEU 367 CO 1.12 -0.11 0.67 -0.62 0.09 0.00 0.00 178.44 179.59 3i7k n GLU 368 N -5.20 2.30 -4.07 1.13 -0.58 -1.26 -4.89 120.64 108.07 3i7k n GLU 368 Ca -0.10 -2.52 -0.29 0.00 -0.42 0.00 0.00 57.16 53.83 3i7k n GLU 368 Cb 0.28 -1.99 -0.04 0.00 -0.57 0.00 0.00 31.44 29.12 3i7k n GLU 368 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3i7k n ARG 369 N -0.29 -2.87 -4.32 3.49 1.74 -1.12 -4.99 116.66 108.31 3i7k n ARG 369 Ca 0.48 0.34 -0.25 0.00 -0.77 0.00 0.00 57.85 57.66 3i7k n ARG 369 Cb 0.60 -4.49 -0.13 0.00 -1.02 0.00 0.00 32.46 27.43 3i7k n ARG 369 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3i7k s GLN 370 N -6.77 1.17 0.00 5.56 -0.21 -1.26 -5.02 119.66 113.13 3i7k s GLN 370 Ca 0.16 -1.17 0.00 0.00 0.02 0.00 0.00 55.36 54.36 3i7k s GLN 370 Cb -0.09 -1.46 0.00 0.00 1.00 0.00 0.00 33.01 32.47 3i7k s GLN 370 CO 0.92 0.34 0.00 0.41 -2.12 0.00 0.00 175.29 174.84 3i7k n GLY 371 N 1.10 0.00 0.00 3.09 0.00 -1.25 -4.60 105.19 103.53 3i7k n GLY 371 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 3i7k n GLY 371 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i7k n GLN 372 N 0.67 0.00 0.00 1.61 -0.00 -1.26 -4.24 117.38 114.16 3i7k n GLN 372 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 3i7k n GLN 372 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 30.24 30.24 3i7k n GLN 372 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3i7k n GLY 373 N 5.00 0.10 3.49 2.61 0.00 -1.26 -4.31 105.19 110.83 3i7k n GLY 373 Ca 0.00 0.56 -0.35 0.00 0.00 0.00 0.00 46.02 46.23 3i7k n GLY 373 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i7k s GLN 374 N 0.00 3.70 0.00 1.61 -1.52 -0.83 -4.39 119.66 118.24 3i7k s GLN 374 Ca 0.00 -0.47 -0.22 0.00 -1.95 0.00 0.00 55.36 52.72 3i7k s GLN 374 Cb 0.00 -3.15 -0.05 0.00 -0.22 0.00 0.00 33.01 29.59 3i7k s GLN 374 CO 0.00 0.04 0.64 -1.17 -0.25 0.00 0.00 175.29 174.55 3i7k s LEU 375 N 0.96 4.42 -0.13 2.90 2.96 -0.63 -0.17 118.68 128.99 3i7k s LEU 375 Ca 0.02 1.22 0.01 0.00 -0.22 0.00 0.00 54.13 55.17 3i7k s LEU 375 Cb -0.14 -3.00 0.02 0.00 0.50 0.00 0.00 46.19 43.56 3i7k s LEU 375 CO 0.02 0.07 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.26 3i7k s VAL 376 N -0.09 1.69 0.04 1.68 1.01 -0.47 0.26 120.40 124.54 3i7k s VAL 376 Ca 0.33 -0.74 0.08 0.00 0.00 0.00 0.00 61.98 61.66 3i7k s VAL 376 Cb -0.19 -1.54 -0.03 0.00 0.00 0.00 0.00 36.38 34.62 3i7k s VAL 376 CO 0.18 0.48 -0.23 0.42 0.00 0.00 0.00 175.10 175.95 3i7k s THR 377 N 1.14 2.41 -0.46 3.92 -4.23 -0.25 -1.49 115.64 116.67 3i7k s THR 377 Ca -0.02 -1.31 -0.28 0.00 -1.18 0.00 0.00 61.69 58.90 3i7k s THR 377 Cb -0.14 -1.97 0.03 0.00 1.34 0.00 0.00 72.50 71.75 3i7k s THR 377 CO -0.06 0.35 1.07 0.00 -0.54 0.00 0.00 174.62 175.45 3i7k s SER 379 N 2.35 2.67 0.17 0.00 0.01 -0.06 -0.67 113.70 118.16 3i7k s SER 379 Ca 0.45 -0.77 0.00 0.00 1.31 0.00 0.00 55.95 56.94 3i7k s SER 379 Cb -0.08 -0.15 0.00 0.00 0.21 0.00 0.00 66.02 65.99 3i7k s SER 379 CO 0.29 0.03 0.00 0.61 0.41 0.00 0.00 173.24 174.58 3i7k n GLY 380 N 0.72 -1.92 3.37 3.44 0.00 -1.03 -0.89 105.19 108.87 3i7k n GLY 380 Ca -0.17 -1.36 -0.13 0.00 0.00 0.00 0.00 46.02 44.36 3i7k n GLY 380 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i7k s ALA 381 N -1.18 -1.22 0.00 4.61 0.00 -1.15 -4.65 121.76 118.18 3i7k s ALA 381 Ca 0.00 0.41 0.00 0.00 0.00 0.00 0.00 51.96 52.37 3i7k s ALA 381 Cb 0.00 0.49 0.00 0.00 0.00 0.00 0.00 23.12 23.61 3i7k s ALA 381 CO 0.00 -0.55 0.00 1.19 0.00 0.00 0.00 175.76 176.40 3i7k n PHE 382 N 0.22 0.00 0.30 0.00 3.01 -1.26 -1.19 117.46 118.55 3i7k n PHE 382 Ca -0.18 0.00 0.15 0.00 1.01 0.00 0.00 57.45 58.43 3i7k n PHE 382 Cb 0.61 0.02 0.78 0.00 -0.01 0.00 0.00 39.48 40.88 3i7k n PHE 382 CO 0.00 0.00 0.00 1.57 1.01 0.00 0.00 176.76 179.34 3i7k h LYS 383 N 0.00 0.00 -0.00 -1.08 2.10 -1.85 0.35 116.57 116.08 3i7k h LYS 383 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3i7k h LYS 383 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 3i7k h LYS 383 CO 0.00 0.00 -0.06 0.39 -2.00 0.00 0.00 179.45 177.78 3i7k n GLU 384 N -2.75 0.91 -1.62 0.07 -0.58 -0.33 -3.94 120.64 112.41 3i7k n GLU 384 Ca -0.02 -0.29 -0.37 0.00 -0.42 0.00 0.00 57.16 56.06 3i7k n GLU 384 Cb 0.31 -1.49 0.07 0.00 -0.57 0.00 0.00 31.44 29.76 3i7k n GLU 384 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3i7k n GLY 385 N 1.20 0.06 3.79 0.62 0.00 0.12 -4.24 105.19 106.74 3i7k n GLY 385 Ca 0.17 -0.19 -0.03 0.00 0.00 0.00 0.00 46.02 45.98 3i7k n GLY 385 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i7k s SER 386 N -1.40 -0.10 0.07 1.61 1.04 -0.07 -1.48 113.70 113.37 3i7k s SER 386 Ca 0.79 -0.50 0.03 0.00 0.48 0.00 0.00 55.95 56.75 3i7k s SER 386 Cb -0.38 0.48 -0.04 0.00 0.10 0.00 0.00 66.02 66.18 3i7k s SER 386 CO 0.44 -0.92 0.05 -0.76 0.98 0.00 0.00 173.24 173.04 3i7k s LEU 387 N -3.11 3.70 -0.05 2.42 1.43 0.29 -0.88 118.68 122.48 3i7k s LEU 387 Ca 0.16 -0.04 0.04 0.00 -1.03 0.00 0.00 54.13 53.26 3i7k s LEU 387 Cb -0.01 -2.36 -0.00 0.00 0.03 0.00 0.00 46.19 43.85 3i7k s LEU 387 CO 0.03 0.19 -0.16 -0.13 0.23 0.00 0.00 176.35 176.51 3i7k s ARG 388 N -2.25 1.78 -0.39 1.70 1.81 -0.43 -1.19 118.95 119.98 3i7k s ARG 388 Ca 0.27 -0.58 -0.12 0.00 -1.72 0.00 0.00 55.73 53.59 3i7k s ARG 388 Cb -0.12 -1.53 0.03 0.00 -0.45 0.00 0.00 34.95 32.88 3i7k s ARG 388 CO 0.19 0.21 0.23 0.42 -0.68 0.00 0.00 175.30 175.67 3i7k s ILE 389 N 0.13 4.69 -0.29 1.52 1.09 0.10 -1.09 121.20 127.35 3i7k s ILE 389 Ca -0.06 -0.86 -0.15 0.00 -1.10 0.00 0.00 60.65 58.48 3i7k s ILE 389 Cb -0.12 -3.64 -0.03 0.00 -1.06 0.00 0.00 42.46 37.61 3i7k s ILE 389 CO 0.03 -0.27 0.39 -0.63 -0.10 0.00 0.00 174.94 174.35 3i7k s ILE 390 N 1.57 5.15 -0.06 2.92 1.09 0.14 -1.02 121.20 131.00 3i7k s ILE 390 Ca 0.02 0.44 0.02 0.00 -1.10 0.00 0.00 60.65 60.04 3i7k s ILE 390 Cb -0.19 -3.76 -0.03 0.00 -1.06 0.00 0.00 42.46 37.42 3i7k s ILE 390 CO 0.07 0.06 -0.11 -0.60 -0.10 0.00 0.00 174.94 174.26 3i7k s ARG 391 N 2.10 2.62 0.02 2.79 3.52 0.13 -1.60 118.95 128.54 3i7k s ARG 391 Ca 0.15 -0.64 -0.19 0.00 -0.13 0.00 0.00 55.73 54.92 3i7k s ARG 391 Cb -0.16 -2.47 -0.06 0.00 -1.56 0.00 0.00 34.95 30.70 3i7k s ARG 391 CO 0.11 0.63 0.55 1.21 -0.81 0.00 0.00 175.30 176.99 3i7k s ASN 392 N -0.73 6.98 0.12 -2.12 3.84 -1.26 -0.37 114.94 121.39 3i7k s ASN 392 Ca 0.11 1.16 0.00 0.00 0.21 0.00 0.00 52.86 54.34 3i7k s ASN 392 Cb -0.11 -2.34 0.00 0.00 -0.55 0.00 0.00 41.25 38.25 3i7k s ASN 392 CO 0.01 0.20 0.00 0.61 -2.79 0.00 0.00 177.10 175.13 3i7k n GLY 393 N 2.09 -2.01 3.32 1.21 0.00 -0.50 -4.88 105.19 104.41 3i7k n GLY 393 Ca -0.09 -1.40 -0.32 0.00 0.00 0.00 0.00 46.02 44.21 3i7k n GLY 393 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i7k s ILE 394 N -0.29 2.34 0.33 -0.61 -1.09 0.49 -4.38 121.20 117.98 3i7k s ILE 394 Ca 0.00 -0.96 0.08 0.00 -2.23 0.00 0.00 60.65 57.54 3i7k s ILE 394 Cb 0.00 -1.88 -0.04 0.00 -1.58 0.00 0.00 42.46 38.97 3i7k s ILE 394 CO 0.00 0.57 0.17 -0.83 -1.23 0.00 0.00 174.94 173.62 3i7k s GLY 395 N -0.21 1.87 -0.02 6.18 0.00 -1.26 0.85 107.32 114.73 3i7k s GLY 395 Ca -0.02 -1.76 0.00 0.00 0.00 0.00 0.00 44.72 42.95 3i7k s GLY 395 CO 0.03 -1.70 0.02 -0.26 0.00 0.00 0.00 173.10 171.19 3i7k s ILE 396 N -2.38 0.03 -0.22 0.90 -4.36 -1.26 -1.56 121.20 112.35 3i7k s ILE 396 Ca 0.38 0.14 -0.16 0.00 -0.26 0.00 0.00 60.65 60.75 3i7k s ILE 396 Cb -0.04 -0.13 -0.04 0.00 1.25 0.00 0.00 42.46 43.51 3i7k s ILE 396 CO 0.24 0.09 0.40 -1.00 0.24 0.00 0.00 174.94 174.91 3i7k s HIS 397 N 0.87 3.34 -0.59 1.37 3.76 -1.12 -4.93 115.29 118.00 3i7k s HIS 397 Ca -0.08 0.58 -0.28 0.00 -0.15 0.00 0.00 55.06 55.13 3i7k s HIS 397 Cb -0.11 -2.55 0.03 0.00 1.11 0.00 0.00 32.58 31.06 3i7k s HIS 397 CO -0.02 -0.07 1.20 -1.21 -0.85 0.00 0.00 174.74 173.79 3i7k s GLU 398 N 1.52 3.49 -0.06 1.40 2.02 -1.26 -3.30 118.70 122.50 3i7k s GLU 398 Ca 0.18 0.21 -0.03 0.00 0.02 0.00 0.00 54.97 55.35 3i7k s GLU 398 Cb -0.15 -4.03 -0.02 0.00 0.10 0.00 0.00 34.13 30.03 3i7k s GLU 398 CO 0.08 -1.72 0.17 0.45 0.02 0.00 0.00 175.26 174.26 3i7k h HIS 399 N 9.59 -0.11 -4.04 1.61 3.86 -1.87 -3.48 115.15 120.71 3i7k h HIS 399 Ca -0.25 -0.00 -0.64 0.00 -1.16 0.00 0.00 60.37 58.31 3i7k h HIS 399 Cb 1.06 0.04 -0.24 0.00 1.06 0.00 0.00 27.41 29.33 3i7k h HIS 399 CO 1.05 -0.07 -0.86 0.00 0.86 0.00 0.00 177.93 178.91 3i7k s ALA 400 N -2.97 2.12 -0.32 2.45 0.00 -1.22 -5.06 121.76 116.76 3i7k s ALA 400 Ca -0.02 -1.31 -0.02 0.00 0.00 0.00 0.00 51.96 50.61 3i7k s ALA 400 Cb 0.00 -0.36 0.12 0.00 0.00 0.00 0.00 23.12 22.87 3i7k s ALA 400 CO 0.05 0.47 0.16 0.45 0.00 0.00 0.00 175.76 176.90 3i7k s SER 401 N -1.71 3.35 -0.26 0.00 0.15 -1.26 -3.12 113.70 110.85 3i7k s SER 401 Ca 0.11 -1.69 -0.14 0.00 0.70 0.00 0.00 55.95 54.93 3i7k s SER 401 Cb -0.10 -0.42 -0.04 0.00 -1.71 0.00 0.00 66.02 63.76 3i7k s SER 401 CO 0.04 -0.38 0.32 -0.63 1.20 0.00 0.00 173.24 173.79 3i7k s ILE 402 N 1.63 5.22 0.26 6.45 1.09 -0.96 -4.97 121.20 129.91 3i7k s ILE 402 Ca 0.13 0.48 -0.23 0.00 -1.10 0.00 0.00 60.65 59.93 3i7k s ILE 402 Cb -0.19 -3.65 -0.09 0.00 -1.06 0.00 0.00 42.46 37.47 3i7k s ILE 402 CO -0.21 0.20 0.82 1.51 -0.10 0.00 0.00 174.94 177.16 3i7k s ASP 403 N 1.53 7.19 -0.31 3.58 -4.77 -1.26 -0.26 116.67 122.37 3i7k s ASP 403 Ca 0.13 1.60 -0.08 0.00 -3.30 0.00 0.00 52.55 50.90 3i7k s ASP 403 Cb -0.15 -2.49 0.19 0.00 -1.09 0.00 0.00 42.92 39.37 3i7k s ASP 403 CO 0.09 0.00 0.99 -0.22 0.70 0.00 0.00 175.17 176.74 3i7k s LEU 404 N -1.97 -0.53 0.84 2.11 2.96 -1.13 -4.86 118.68 116.10 3i7k s LEU 404 Ca 0.46 -0.07 -0.16 0.00 -0.22 0.00 0.00 54.13 54.14 3i7k s LEU 404 Cb -0.18 1.06 -0.07 0.00 0.50 0.00 0.00 46.19 47.50 3i7k s LEU 404 CO 0.22 -0.08 -0.01 -2.65 -1.32 0.00 0.00 176.35 172.51 3i7k n PRO 405 N 4.59 0.01 -2.87 0.98 -0.02 -1.26 -4.24 135.00 132.19 3i7k n PRO 405 Ca 0.08 0.03 -0.19 0.00 -2.02 0.00 0.00 63.50 61.40 3i7k n PRO 405 Cb 0.59 -1.47 0.00 0.00 -0.02 0.00 0.00 33.50 32.61 3i7k n PRO 405 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i7k n GLY 406 N 2.30 -0.50 3.76 -1.23 0.00 -0.82 -4.94 105.19 103.77 3i7k n GLY 406 Ca 0.05 0.06 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 3i7k n GLY 406 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i7k s ILE 407 N -2.88 2.67 -0.20 -0.61 1.01 -1.26 -4.21 121.20 115.72 3i7k s ILE 407 Ca 0.20 0.65 0.18 0.00 0.00 0.00 0.00 60.65 61.68 3i7k s ILE 407 Cb -0.10 -3.41 0.46 0.00 0.01 0.00 0.00 42.46 39.42 3i7k s ILE 407 CO 0.24 0.14 1.16 0.29 0.00 0.00 0.00 174.94 176.78 3i7k n LYS 408 N 1.11 1.79 0.00 2.79 5.02 -0.40 -4.99 118.16 123.48 3i7k n LYS 408 Ca 0.01 -3.30 0.00 0.00 -2.02 0.00 0.00 58.31 53.00 3i7k n LYS 408 Cb 0.41 -1.41 0.00 0.00 -0.02 0.00 0.00 35.03 34.01 3i7k n LYS 408 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i7k n GLY 409 N -0.46 4.21 2.99 0.72 0.00 -1.24 -4.90 105.19 106.51 3i7k n GLY 409 Ca 0.18 -0.82 -0.13 0.00 0.00 0.00 0.00 46.02 45.25 3i7k n GLY 409 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i7k s LEU 410 N 0.00 0.92 -0.02 0.99 1.43 -1.26 -2.70 118.68 118.04 3i7k s LEU 410 Ca 0.00 0.35 -0.00 0.00 -1.03 0.00 0.00 54.13 53.45 3i7k s LEU 410 Cb 0.00 0.50 0.02 0.00 0.03 0.00 0.00 46.19 46.74 3i7k s LEU 410 CO 0.00 -0.12 0.03 0.26 0.23 0.00 0.00 176.35 176.75 3i7k s TRP 411 N 0.78 0.01 0.35 0.29 0.51 -1.11 -4.70 118.94 115.08 3i7k s TRP 411 Ca -0.06 0.10 -0.22 0.00 -2.12 0.00 0.00 56.10 53.80 3i7k s TRP 411 Cb -0.07 -0.15 -0.10 0.00 -0.81 0.00 0.00 33.47 32.34 3i7k s TRP 411 CO -0.04 -0.06 0.90 -1.25 -0.51 0.00 0.00 176.95 175.99 3i7k s PRO 412 N 0.69 4.36 -0.03 4.98 0.04 -1.26 -1.99 135.00 141.80 3i7k s PRO 412 Ca -0.06 1.13 -0.06 0.00 0.04 0.00 0.00 61.00 62.05 3i7k s PRO 412 Cb -0.08 -2.56 0.01 0.00 0.04 0.00 0.00 34.50 31.91 3i7k s PRO 412 CO -0.02 0.17 0.15 -1.17 0.04 0.00 0.00 177.00 176.18 3i7k s LEU 413 N -2.53 1.45 -0.20 -3.56 2.96 0.10 -4.71 118.68 112.18 3i7k s LEU 413 Ca 0.54 0.10 -0.02 0.00 -0.22 0.00 0.00 54.13 54.52 3i7k s LEU 413 Cb -0.14 0.61 0.06 0.00 0.50 0.00 0.00 46.19 47.22 3i7k s LEU 413 CO 0.19 -0.19 0.02 -0.60 -1.32 0.00 0.00 176.35 174.45 3i7k s ARG 414 N -0.55 0.80 -0.08 1.98 3.52 -1.26 0.40 118.95 123.76 3i7k s ARG 414 Ca -0.06 -0.53 -0.03 0.00 -0.13 0.00 0.00 55.73 54.97 3i7k s ARG 414 Cb -0.04 -2.18 -0.10 0.00 -1.56 0.00 0.00 34.95 31.07 3i7k s ARG 414 CO 0.01 -0.65 2.83 0.43 -0.81 0.00 0.00 175.30 177.11 3i7k n SER 415 N 4.99 5.52 -3.58 -2.12 7.64 -1.26 -4.69 113.62 120.11 3i7k n SER 415 Ca -0.09 -2.58 -0.01 0.00 1.01 0.00 0.00 58.87 57.19 3i7k n SER 415 Cb 0.46 -1.27 -0.05 0.00 -1.01 0.00 0.00 64.21 62.35 3i7k n SER 415 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3i7k s ASP 416 N 1.67 -0.88 0.00 6.43 3.68 -1.26 -5.03 116.67 121.27 3i7k s ASP 416 Ca 0.39 1.26 0.12 0.00 2.13 0.00 0.00 52.55 56.45 3i7k s ASP 416 Cb 0.21 1.85 0.70 0.00 -1.45 0.00 0.00 42.92 44.23 3i7k s ASP 416 CO -0.02 -0.18 1.20 -2.65 0.13 0.00 0.00 175.17 173.64 3i7k n PRO 417 N 4.93 0.65 -0.05 4.34 -0.02 -1.26 -4.05 135.00 139.54 3i7k n PRO 417 Ca -0.13 0.00 -0.04 0.00 -2.02 0.00 0.00 63.50 61.30 3i7k n PRO 417 Cb 0.53 -1.28 -0.01 0.00 -0.02 0.00 0.00 33.50 32.71 3i7k n PRO 417 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3i7k n ASN 418 N -0.78 1.23 -2.42 2.55 3.02 -1.26 -4.97 115.26 112.62 3i7k n ASN 418 Ca 0.09 0.37 -0.05 0.00 -0.03 0.00 0.00 54.58 54.96 3i7k n ASN 418 Cb 0.04 -0.70 0.04 0.00 -0.61 0.00 0.00 39.78 38.54 3i7k n ASN 418 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 3i7k n ARG 419 N -3.80 -0.57 0.00 3.52 1.85 -1.26 -5.02 116.66 111.38 3i7k n ARG 419 Ca -0.07 -0.32 0.00 0.00 -1.00 0.00 0.00 57.85 56.46 3i7k n ARG 419 Cb 0.25 -0.24 0.00 0.00 -1.05 0.00 0.00 32.46 31.43 3i7k n ARG 419 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 3i7k n GLU 420 N -1.64 2.33 -3.66 2.89 1.02 -1.26 -5.01 120.64 115.30 3i7k n GLU 420 Ca 0.03 -1.29 -0.36 0.00 -0.02 0.00 0.00 57.16 55.52 3i7k n GLU 420 Cb 0.09 -0.91 -0.09 0.00 -0.02 0.00 0.00 31.44 30.51 3i7k n GLU 420 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3i7k s THR 421 N -0.79 5.37 0.45 2.62 -4.23 -1.26 -4.76 115.64 113.04 3i7k s THR 421 Ca 0.00 0.25 -0.01 0.00 -1.18 0.00 0.00 61.69 60.75 3i7k s THR 421 Cb 0.00 -3.51 -0.01 0.00 1.34 0.00 0.00 72.50 70.31 3i7k s THR 421 CO 0.00 0.38 0.69 -0.31 -0.54 0.00 0.00 174.62 174.84 3i7k s TYR 422 N 0.74 3.32 0.00 3.99 1.51 -1.26 -4.77 117.35 120.88 3i7k s TYR 422 Ca 0.09 0.37 0.00 0.00 -1.01 0.00 0.00 57.07 56.53 3i7k s TYR 422 Cb -0.13 -2.29 0.00 0.00 -0.11 0.00 0.00 41.96 39.43 3i7k s TYR 422 CO 0.02 -0.32 0.47 -0.40 -1.11 0.00 0.00 175.55 174.20 3i7k n ASP 423 N -2.11 0.00 -3.94 2.29 3.85 0.55 -3.13 116.55 114.05 3i7k n ASP 423 Ca 0.01 -1.18 -0.16 0.00 -0.71 0.00 0.00 54.79 52.75 3i7k n ASP 423 Cb 0.57 -0.04 -0.15 0.00 -1.35 0.00 0.00 41.12 40.16 3i7k n ASP 423 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.20 175.30 3i7k s THR 424 N 0.00 0.38 0.09 2.12 2.01 0.16 -0.76 115.64 119.65 3i7k s THR 424 Ca 0.00 -0.19 0.10 0.00 0.31 0.00 0.00 61.69 61.91 3i7k s THR 424 Cb 0.00 -0.34 -0.03 0.00 0.01 0.00 0.00 72.50 72.14 3i7k s THR 424 CO 0.00 0.12 -0.26 -0.22 -0.69 0.00 0.00 174.62 173.57 3i7k s LEU 425 N -0.01 2.25 -0.18 4.42 2.96 -0.36 0.02 118.68 127.78 3i7k s LEU 425 Ca 0.01 -0.68 0.01 0.00 -0.22 0.00 0.00 54.13 53.25 3i7k s LEU 425 Cb -0.03 -1.22 0.03 0.00 0.50 0.00 0.00 46.19 45.47 3i7k s LEU 425 CO -0.00 0.20 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.38 3i7k s VAL 426 N -0.96 1.86 -0.43 1.68 1.01 -0.84 0.16 120.40 122.89 3i7k s VAL 426 Ca 0.12 -0.94 -0.06 0.00 0.00 0.00 0.00 61.98 61.11 3i7k s VAL 426 Cb -0.10 -1.77 0.11 0.00 0.00 0.00 0.00 36.38 34.61 3i7k s VAL 426 CO 0.04 0.39 0.25 -0.76 0.00 0.00 0.00 175.10 175.02 3i7k s LEU 427 N 1.34 5.36 -0.05 3.92 1.02 -1.05 -2.73 118.68 126.50 3i7k s LEU 427 Ca 0.02 -1.93 -0.30 0.00 0.02 0.00 0.00 54.13 51.95 3i7k s LEU 427 Cb -0.14 -1.90 -0.02 0.00 0.02 0.00 0.00 46.19 44.14 3i7k s LEU 427 CO -0.11 -0.59 1.03 -0.94 0.02 0.00 0.00 176.35 175.76 3i7k s SER 428 N 2.13 7.27 0.38 2.29 1.04 -1.10 -2.41 113.70 123.29 3i7k s SER 428 Ca 0.07 1.64 0.08 0.00 0.48 0.00 0.00 55.95 58.21 3i7k s SER 428 Cb -0.24 -2.56 -0.03 0.00 0.10 0.00 0.00 66.02 63.28 3i7k s SER 428 CO -0.02 -0.38 0.26 -0.36 0.98 0.00 0.00 173.24 173.71 3i7k s PHE 429 N 1.56 2.73 0.04 5.02 0.40 -0.96 -1.27 117.98 125.50 3i7k s PHE 429 Ca 0.51 -0.44 -0.08 0.00 -0.60 0.00 0.00 56.93 56.32 3i7k s PHE 429 Cb -0.21 -1.91 -0.02 0.00 0.51 0.00 0.00 43.02 41.39 3i7k s PHE 429 CO 0.23 0.12 0.82 0.28 0.70 0.00 0.00 175.22 177.38 3i7k n VAL 430 N -1.35 -0.18 0.35 -0.44 0.31 -1.26 -2.60 118.33 113.17 3i7k n VAL 430 Ca -0.00 1.27 0.08 0.00 -0.01 0.00 0.00 64.34 65.67 3i7k n VAL 430 Cb 0.62 -1.63 -0.11 0.00 -0.91 0.00 0.00 33.84 31.81 3i7k n VAL 430 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3i7k n GLY 431 N -1.07 -0.64 0.18 2.92 0.00 -1.26 -4.63 105.19 100.69 3i7k n GLY 431 Ca 0.01 -0.42 -0.02 0.00 0.00 0.00 0.00 46.02 45.59 3i7k n GLY 431 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3i7k n GLN 432 N -1.75 1.85 -3.65 1.61 6.02 -1.07 -3.35 117.38 117.04 3i7k n GLN 432 Ca -0.00 -0.18 -0.03 0.00 -0.01 0.00 0.00 57.00 56.78 3i7k n GLN 432 Cb 0.35 0.04 -0.06 0.00 1.02 0.00 0.00 30.24 31.59 3i7k n GLN 432 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3i7k s THR 433 N -0.90 -0.85 -0.08 5.09 2.01 -0.64 -2.26 115.64 118.01 3i7k s THR 433 Ca 0.00 0.04 0.05 0.00 0.31 0.00 0.00 61.69 62.09 3i7k s THR 433 Cb -0.00 -0.92 -0.00 0.00 0.01 0.00 0.00 72.50 71.59 3i7k s THR 433 CO 0.00 0.02 -0.23 -0.13 -0.69 0.00 0.00 174.62 173.59 3i7k s ARG 434 N 2.75 2.63 0.21 4.92 0.52 -1.01 -4.38 118.95 124.59 3i7k s ARG 434 Ca -0.05 -0.83 -0.02 0.00 -0.52 0.00 0.00 55.73 54.31 3i7k s ARG 434 Cb -0.12 -2.10 -0.05 0.00 0.52 0.00 0.00 34.95 33.21 3i7k s ARG 434 CO -0.17 0.25 0.42 0.08 0.02 0.00 0.00 175.30 175.89 3i7k s VAL 435 N 0.15 5.17 0.01 3.52 1.01 -1.26 -2.52 120.40 126.48 3i7k s VAL 435 Ca -0.11 -0.24 0.06 0.00 0.00 0.00 0.00 61.98 61.69 3i7k s VAL 435 Cb -0.16 -3.72 -0.02 0.00 0.00 0.00 0.00 36.38 32.48 3i7k s VAL 435 CO 0.06 -0.18 -0.19 -0.76 0.00 0.00 0.00 175.10 174.03 3i7k s LEU 436 N -3.30 2.09 0.33 3.92 1.43 0.12 -3.85 118.68 119.43 3i7k s LEU 436 Ca 0.40 -0.42 0.07 0.00 -1.03 0.00 0.00 54.13 53.15 3i7k s LEU 436 Cb -0.11 -0.96 -0.01 0.00 0.03 0.00 0.00 46.19 45.13 3i7k s LEU 436 CO 0.29 0.20 0.44 -0.32 0.23 0.00 0.00 176.35 177.18 3i7k s MET 437 N -0.75 3.08 -0.19 1.70 -2.45 0.12 -1.23 119.30 119.58 3i7k s MET 437 Ca 0.07 -1.04 -0.04 0.00 -1.25 0.00 0.00 55.69 53.43 3i7k s MET 437 Cb -0.08 -2.78 0.07 0.00 1.25 0.00 0.00 34.83 33.29 3i7k s MET 437 CO 0.00 0.09 0.09 -0.51 1.05 0.00 0.00 175.02 175.74 3i7k s LEU 438 N -4.14 0.52 0.07 4.11 1.43 0.06 -2.97 118.68 117.77 3i7k s LEU 438 Ca 0.44 -0.74 -0.15 0.00 -1.03 0.00 0.00 54.13 52.64 3i7k s LEU 438 Cb -0.09 -0.32 -0.20 0.00 0.03 0.00 0.00 46.19 45.62 3i7k s LEU 438 CO 0.30 -0.36 1.22 -1.13 0.23 0.00 0.00 176.35 176.62 3i7k h ASN 439 N 8.39 0.81 0.00 2.29 -0.00 -1.84 -3.48 115.58 121.75 3i7k h ASN 439 Ca -0.16 -0.69 0.00 0.00 -0.00 0.00 0.00 56.30 55.46 3i7k h ASN 439 Cb 1.13 -0.24 0.00 0.00 -0.00 0.00 0.00 38.32 39.20 3i7k h ASN 439 CO 0.32 1.38 0.00 0.61 -0.00 0.00 0.00 177.43 179.74 3i7k n GLY 440 N 0.88 -2.15 1.20 1.57 0.00 -1.26 -4.86 105.19 100.57 3i7k n GLY 440 Ca -0.09 0.73 0.11 0.00 0.00 0.00 0.00 46.02 46.76 3i7k n GLY 440 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i7k n GLU 441 N -0.44 2.67 -3.98 1.61 -0.58 -1.26 -3.47 120.64 115.19 3i7k n GLU 441 Ca 0.00 -2.48 -0.27 0.00 -0.42 0.00 0.00 57.16 53.99 3i7k n GLU 441 Cb 0.00 -1.51 -0.04 0.00 -0.57 0.00 0.00 31.44 29.32 3i7k n GLU 441 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 3i7k s GLU 442 N -1.09 3.29 -0.29 3.49 0.41 -1.26 -5.09 118.70 118.17 3i7k s GLU 442 Ca 0.43 -0.66 -0.02 0.00 -0.41 0.00 0.00 54.97 54.31 3i7k s GLU 442 Cb 0.23 -2.89 0.12 0.00 -1.78 0.00 0.00 34.13 29.81 3i7k s GLU 442 CO 0.30 0.52 0.23 0.08 -0.49 0.00 0.00 175.26 175.90 3i7k s VAL 443 N -1.72 -0.26 0.22 2.63 1.01 -1.26 -2.88 120.40 118.14 3i7k s VAL 443 Ca 0.34 -0.62 0.07 0.00 0.00 0.00 0.00 61.98 61.77 3i7k s VAL 443 Cb -0.11 -0.98 -0.04 0.00 0.00 0.00 0.00 36.38 35.25 3i7k s VAL 443 CO 0.27 -0.58 0.07 -0.70 0.00 0.00 0.00 175.10 174.16 3i7k s GLU 444 N 2.23 2.58 -0.68 2.72 2.12 -1.16 -4.93 118.70 121.58 3i7k s GLU 444 Ca 0.09 -1.14 0.04 0.00 0.36 0.00 0.00 54.97 54.33 3i7k s GLU 444 Cb -0.15 -2.40 0.31 0.00 0.26 0.00 0.00 34.13 32.15 3i7k s GLU 444 CO -0.34 0.42 1.01 -0.85 -0.54 0.00 0.00 175.26 174.97 3i7k n GLU 445 N -0.62 3.33 -2.90 4.30 0.28 -1.26 0.16 120.64 123.92 3i7k n GLU 445 Ca -0.08 -4.77 -0.18 0.00 -0.16 0.00 0.00 57.16 51.97 3i7k n GLU 445 Cb 0.57 -2.29 0.02 0.00 1.43 0.00 0.00 31.44 31.17 3i7k n GLU 445 CO 0.00 0.00 0.00 0.95 -0.16 0.00 0.00 177.13 177.92 3i7k s THR 446 N -3.75 2.89 0.41 3.84 -4.23 -1.25 -4.86 115.64 108.70 3i7k s THR 446 Ca 0.44 -0.90 0.07 0.00 -1.18 0.00 0.00 61.69 60.12 3i7k s THR 446 Cb 0.22 -2.99 -0.04 0.00 1.34 0.00 0.00 72.50 71.02 3i7k s THR 446 CO -0.08 0.00 0.22 -1.83 -0.54 0.00 0.00 174.62 172.39 3i7k s GLU 447 N -4.47 2.30 -0.13 3.99 -1.05 -1.26 -4.15 118.70 113.93 3i7k s GLU 447 Ca 0.56 -1.76 -0.12 0.00 -0.15 0.00 0.00 54.97 53.50 3i7k s GLU 447 Cb -0.10 -2.08 -0.05 0.00 -0.44 0.00 0.00 34.13 31.46 3i7k s GLU 447 CO 0.35 -0.12 0.26 -0.51 0.95 0.00 0.00 175.26 176.19 3i7k s LEU 448 N -3.95 4.30 -1.09 1.83 1.02 -1.26 -5.01 118.68 114.52 3i7k s LEU 448 Ca 0.42 0.53 -0.23 0.00 0.02 0.00 0.00 54.13 54.88 3i7k s LEU 448 Cb 0.02 -2.31 -0.03 0.00 0.02 0.00 0.00 46.19 43.89 3i7k s LEU 448 CO 0.24 0.20 1.84 -0.32 0.02 0.00 0.00 176.35 178.33 3i7k s MET 449 N -0.06 2.90 0.00 1.70 1.75 -1.26 -0.95 119.30 123.38 3i7k s MET 449 Ca 0.16 -1.02 0.00 0.00 -1.25 0.00 0.00 55.69 53.58 3i7k s MET 449 Cb -0.13 -5.25 0.00 0.00 2.84 0.00 0.00 34.83 32.29 3i7k s MET 449 CO 0.04 -3.28 0.00 0.41 -0.65 0.00 0.00 175.02 171.54 3i7k n GLY 450 N 6.21 -0.15 3.48 2.11 0.00 -1.26 -4.30 105.19 111.28 3i7k n GLY 450 Ca 0.42 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.11 3i7k n GLY 450 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i7k s PHE 451 N 0.00 2.90 0.56 1.61 0.40 -0.13 -4.81 117.98 118.53 3i7k s PHE 451 Ca 0.00 -0.29 -0.16 0.00 -0.60 0.00 0.00 56.93 55.89 3i7k s PHE 451 Cb 0.00 -1.82 -0.05 0.00 0.51 0.00 0.00 43.02 41.66 3i7k s PHE 451 CO 0.00 0.05 1.03 0.14 0.70 0.00 0.00 175.22 177.13 3i7k s VAL 452 N -0.10 4.14 0.00 -0.44 -7.23 -1.26 -4.79 120.40 110.72 3i7k s VAL 452 Ca 0.00 1.00 0.00 0.00 -1.81 0.00 0.00 61.98 61.17 3i7k s VAL 452 Cb -0.13 -3.54 0.00 0.00 0.56 0.00 0.00 36.38 33.27 3i7k s VAL 452 CO 0.03 -0.61 0.00 -0.90 -0.31 0.00 0.00 175.10 173.31 3i7k n ASP 453 N -1.90 0.77 -0.00 4.85 5.68 -1.26 -4.75 116.55 119.94 3i7k n ASP 453 Ca 0.08 -0.10 0.11 0.00 -0.50 0.00 0.00 54.79 54.39 3i7k n ASP 453 Cb 0.53 0.35 0.16 0.00 -1.14 0.00 0.00 41.12 41.02 3i7k n ASP 453 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3i7k n ASP 454 N -0.43 0.63 -4.81 -1.12 3.85 -1.26 -1.62 116.55 111.79 3i7k n ASP 454 Ca 0.00 -0.44 -0.22 0.00 -0.71 0.00 0.00 54.79 53.42 3i7k n ASP 454 Cb 0.00 0.44 -0.05 0.00 -1.35 0.00 0.00 41.12 40.16 3i7k n ASP 454 CO 0.00 0.00 0.00 -1.10 -1.01 0.00 0.00 177.20 175.09 3i7k s GLN 455 N -3.00 2.54 -0.12 0.11 -1.52 -1.23 -4.48 119.66 111.96 3i7k s GLN 455 Ca 0.10 -1.46 -0.14 0.00 -1.95 0.00 0.00 55.36 51.91 3i7k s GLN 455 Cb 0.17 -2.33 -0.05 0.00 -0.22 0.00 0.00 33.01 30.59 3i7k s GLN 455 CO 0.74 0.02 0.34 -1.14 -0.25 0.00 0.00 175.29 175.01 3i7k s GLN 456 N -3.97 4.17 -0.02 2.91 0.74 -1.21 -2.93 119.66 119.35 3i7k s GLN 456 Ca 0.41 0.21 -0.22 0.00 0.05 0.00 0.00 55.36 55.81 3i7k s GLN 456 Cb -0.04 -3.38 -0.05 0.00 1.10 0.00 0.00 33.01 30.65 3i7k s GLN 456 CO 0.25 0.32 0.67 0.99 -0.55 0.00 0.00 175.29 176.97 3i7k s THR 457 N 0.17 4.93 -0.97 -0.34 2.01 -1.26 -2.15 115.64 118.04 3i7k s THR 457 Ca 0.20 1.39 0.16 0.00 0.31 0.00 0.00 61.69 63.75 3i7k s THR 457 Cb -0.14 -4.01 -0.13 0.00 0.01 0.00 0.00 72.50 68.24 3i7k s THR 457 CO 0.07 0.34 0.73 0.49 -0.69 0.00 0.00 174.62 175.56 3i7k n PHE 458 N 3.18 0.00 -3.56 4.92 3.72 -0.63 -4.79 117.46 120.30 3i7k n PHE 458 Ca -0.04 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.20 3i7k n PHE 458 Cb 0.51 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.99 3i7k n PHE 458 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 176.76 176.83 3i7k s PHE 459 N -2.36 -0.64 -0.30 1.38 5.36 -1.22 -4.78 117.98 115.42 3i7k s PHE 459 Ca 0.08 1.23 0.03 0.00 -0.96 0.00 0.00 56.93 57.31 3i7k s PHE 459 Cb 0.12 0.38 0.17 0.00 -0.34 0.00 0.00 43.02 43.36 3i7k s PHE 459 CO 0.59 -0.51 0.45 0.00 -1.46 0.00 0.00 175.22 174.29 3i7k n GLY 461 N 5.27 5.93 3.28 0.00 0.00 -1.14 -4.27 105.19 114.26 3i7k n GLY 461 Ca 0.02 -1.87 -0.32 0.00 0.00 0.00 0.00 46.02 43.85 3i7k n GLY 461 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i7k s ASN 462 N 0.31 3.31 0.00 1.61 0.02 -1.26 -2.97 114.94 115.95 3i7k s ASN 462 Ca 0.00 -0.48 0.00 0.00 -1.02 0.00 0.00 52.86 51.36 3i7k s ASN 462 Cb 0.00 -1.23 0.00 0.00 0.02 0.00 0.00 41.25 40.04 3i7k s ASN 462 CO 0.00 0.20 0.00 1.33 0.02 0.00 0.00 177.10 178.65 3i7k n VAL 463 N 3.26 0.00 -4.29 1.60 0.24 -0.70 -4.60 118.33 113.84 3i7k n VAL 463 Ca -0.18 0.00 -0.18 0.00 -2.04 0.00 0.00 64.34 61.94 3i7k n VAL 463 Cb 0.53 0.00 -0.11 0.00 -1.47 0.00 0.00 33.84 32.79 3i7k n VAL 463 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i7k s ALA 464 N -2.67 1.74 -0.84 2.33 0.00 -1.24 -4.83 121.76 116.27 3i7k s ALA 464 Ca 0.00 -1.48 -0.03 0.00 0.00 0.00 0.00 51.96 50.45 3i7k s ALA 464 Cb 0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 23.12 23.04 3i7k s ALA 464 CO 0.00 0.08 0.71 0.72 0.00 0.00 0.00 175.76 177.27 3i7k n HIS 465 N 0.08 -2.58 -3.91 0.00 8.25 -1.26 -3.52 115.22 112.28 3i7k n HIS 465 Ca -0.12 0.96 -0.27 0.00 -0.26 0.00 0.00 57.72 58.03 3i7k n HIS 465 Cb 0.59 -3.70 0.00 0.00 1.12 0.00 0.00 29.99 28.00 3i7k n HIS 465 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3i7k n GLN 466 N -2.40 -4.16 -4.19 -0.41 6.02 -1.26 -4.85 117.38 106.13 3i7k n GLN 466 Ca -0.10 0.50 -0.16 0.00 -0.01 0.00 0.00 57.00 57.23 3i7k n GLN 466 Cb 0.57 -4.97 -0.11 0.00 1.02 0.00 0.00 30.24 26.75 3i7k n GLN 466 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3i7k s GLN 467 N -6.45 0.87 -0.22 -1.09 -0.21 -1.23 0.20 119.66 111.53 3i7k s GLN 467 Ca 0.23 -1.10 -0.04 0.00 0.02 0.00 0.00 55.36 54.47 3i7k s GLN 467 Cb -0.12 -0.71 0.07 0.00 1.00 0.00 0.00 33.01 33.25 3i7k s GLN 467 CO 0.86 0.14 0.09 -0.48 -2.12 0.00 0.00 175.29 173.77 3i7k s LEU 468 N -2.20 0.81 0.15 2.90 2.34 -0.65 -1.72 118.68 120.30 3i7k s LEU 468 Ca 0.04 -0.95 -0.24 0.00 0.06 0.00 0.00 54.13 53.04 3i7k s LEU 468 Cb -0.06 -0.43 -0.08 0.00 -0.56 0.00 0.00 46.19 45.07 3i7k s LEU 468 CO 0.02 -0.37 0.72 -0.51 -1.06 0.00 0.00 176.35 175.15 3i7k s ILE 469 N 2.00 4.46 -0.12 1.48 2.07 -1.16 -3.52 121.20 126.41 3i7k s ILE 469 Ca 0.04 1.57 0.02 0.00 -1.41 0.00 0.00 60.65 60.87 3i7k s ILE 469 Cb -0.16 -4.07 0.01 0.00 0.13 0.00 0.00 42.46 38.37 3i7k s ILE 469 CO -0.18 0.52 -0.17 -1.58 -1.91 0.00 0.00 174.94 171.62 3i7k s GLN 470 N -1.17 2.44 -0.90 3.50 0.74 -1.23 -2.89 119.66 120.15 3i7k s GLN 470 Ca 0.34 -0.64 -0.04 0.00 0.05 0.00 0.00 55.36 55.07 3i7k s GLN 470 Cb -0.22 -2.06 0.22 0.00 1.10 0.00 0.00 33.01 32.06 3i7k s GLN 470 CO 0.24 -0.07 0.80 0.42 -0.55 0.00 0.00 175.29 176.14 3i7k s ILE 471 N 0.99 4.69 0.73 -2.34 1.01 -0.93 -0.57 121.20 124.78 3i7k s ILE 471 Ca -0.05 -3.58 -0.11 0.00 0.00 0.00 0.00 60.65 56.91 3i7k s ILE 471 Cb -0.15 -3.90 0.03 0.00 0.01 0.00 0.00 42.46 38.45 3i7k s ILE 471 CO -0.03 -1.08 1.07 0.28 0.00 0.00 0.00 174.94 175.19 3i7k s THR 472 N -1.08 3.72 0.36 2.92 -1.32 -1.09 -1.60 115.64 117.55 3i7k s THR 472 Ca 0.26 0.56 0.25 0.00 -1.21 0.00 0.00 61.69 61.55 3i7k s THR 472 Cb -0.10 -3.27 0.26 0.00 -1.51 0.00 0.00 72.50 67.89 3i7k s THR 472 CO -0.10 -0.73 2.01 0.77 -2.21 0.00 0.00 174.62 174.36 3i7k h SER 473 N -0.86 0.00 0.15 8.08 4.64 -1.73 -2.99 113.55 120.83 3i7k h SER 473 Ca -0.45 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 60.62 3i7k h SER 473 Cb 1.23 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 63.34 3i7k h SER 473 CO 0.57 0.16 -1.08 0.00 -0.87 0.00 0.00 176.83 175.60 3i7k h ALA 474 N 1.84 -0.07 -1.84 5.18 0.00 -1.89 0.71 119.26 123.20 3i7k h ALA 474 Ca -0.00 -0.74 -0.01 0.00 0.00 0.00 0.00 54.91 54.16 3i7k h ALA 474 Cb 0.43 0.12 -0.21 0.00 0.00 0.00 0.00 17.79 18.13 3i7k h ALA 474 CO 0.02 0.54 0.32 -1.54 0.00 0.00 0.00 179.25 178.59 3i7k s SER 475 N -7.23 -0.56 -0.35 0.00 1.04 -1.13 -4.62 113.70 100.85 3i7k s SER 475 Ca -0.11 0.65 -0.26 0.00 0.48 0.00 0.00 55.95 56.71 3i7k s SER 475 Cb 0.03 0.51 0.01 0.00 0.10 0.00 0.00 66.02 66.68 3i7k s SER 475 CO 0.89 -0.49 0.91 0.68 0.98 0.00 0.00 173.24 176.21 3i7k s VAL 476 N -1.04 4.63 0.36 5.02 -7.23 -0.81 -2.68 120.40 118.65 3i7k s VAL 476 Ca -0.07 1.25 -0.03 0.00 -1.81 0.00 0.00 61.98 61.32 3i7k s VAL 476 Cb -0.01 -4.30 -0.04 0.00 0.56 0.00 0.00 36.38 32.60 3i7k s VAL 476 CO 0.06 -0.46 0.61 -0.13 -0.31 0.00 0.00 175.10 174.87 3i7k s ARG 477 N 3.36 3.55 -0.06 4.82 0.52 0.26 -2.27 118.95 129.12 3i7k s ARG 477 Ca 0.37 -0.10 -0.01 0.00 -0.52 0.00 0.00 55.73 55.48 3i7k s ARG 477 Cb -0.13 -2.59 0.03 0.00 0.52 0.00 0.00 34.95 32.78 3i7k s ARG 477 CO 0.17 0.09 -0.01 -1.17 0.02 0.00 0.00 175.30 174.39 3i7k s LEU 478 N -4.17 0.84 -0.05 2.53 2.96 -1.11 -3.48 118.68 116.20 3i7k s LEU 478 Ca 0.43 -0.08 0.06 0.00 -0.22 0.00 0.00 54.13 54.31 3i7k s LEU 478 Cb -0.10 -0.41 -0.02 0.00 0.50 0.00 0.00 46.19 46.17 3i7k s LEU 478 CO 0.36 -0.15 -0.23 -0.69 -1.32 0.00 0.00 176.35 174.33 3i7k s VAL 479 N 1.59 2.31 0.11 1.68 1.01 -1.23 -0.55 120.40 125.32 3i7k s VAL 479 Ca -0.01 -0.99 -0.15 0.00 0.00 0.00 0.00 61.98 60.83 3i7k s VAL 479 Cb -0.13 -1.85 -0.07 0.00 0.00 0.00 0.00 36.38 34.33 3i7k s VAL 479 CO -0.03 0.57 0.53 -0.44 0.00 0.00 0.00 175.10 175.73 3i7k s SER 480 N -0.36 6.87 -0.09 3.32 0.01 -1.03 -1.63 113.70 120.79 3i7k s SER 480 Ca 0.03 1.10 -0.05 0.00 1.31 0.00 0.00 55.95 58.33 3i7k s SER 480 Cb -0.12 -2.30 -0.04 0.00 0.21 0.00 0.00 66.02 63.77 3i7k s SER 480 CO 0.02 0.17 0.20 -0.61 0.41 0.00 0.00 173.24 173.43 3i7k h GLN 481 N 3.91 -0.11 0.85 12.44 -0.00 -0.58 -3.19 115.11 128.43 3i7k h GLN 481 Ca -0.49 0.01 -0.04 0.00 -0.00 0.00 0.00 58.65 58.13 3i7k h GLN 481 Cb 1.20 0.03 0.01 0.00 0.00 0.00 0.00 27.48 28.71 3i7k h GLN 481 CO 0.65 -0.00 -0.43 1.49 0.00 0.00 0.00 178.83 180.53 3i7k h GLU 482 N -1.02 -1.13 -5.96 1.69 4.22 -1.96 -3.26 114.58 107.16 3i7k h GLU 482 Ca -0.01 0.08 -0.61 0.00 0.08 0.00 0.00 59.36 58.90 3i7k h GLU 482 Cb 0.16 0.26 -0.11 0.00 0.50 0.00 0.00 28.75 29.56 3i7k h GLU 482 CO 0.02 -0.75 1.29 -1.25 -2.18 0.00 0.00 179.01 176.13 3i7k s PRO 483 N -5.61 3.51 -0.76 0.92 0.05 -1.26 -4.96 135.00 126.89 3i7k s PRO 483 Ca -0.17 -1.06 -0.25 0.00 0.05 0.00 0.00 61.00 59.56 3i7k s PRO 483 Cb 0.02 -5.05 -0.21 0.00 0.05 0.00 0.00 34.50 29.31 3i7k s PRO 483 CO 0.53 -2.12 1.88 1.17 0.05 0.00 0.00 177.00 178.51 3i7k n LYS 484 N 8.56 0.93 -3.53 4.56 3.00 -1.21 -3.65 118.16 126.83 3i7k n LYS 484 Ca 0.25 -1.79 -0.15 0.00 -0.00 0.00 0.00 58.31 56.62 3i7k n LYS 484 Cb 0.50 -3.22 -0.05 0.00 0.00 0.00 0.00 35.03 32.26 3i7k n LYS 484 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3i7k s ALA 485 N 9.32 -1.52 -0.77 3.14 0.00 -1.24 -4.86 121.76 125.83 3i7k s ALA 485 Ca 0.67 0.82 -0.26 0.00 0.00 0.00 0.00 51.96 53.20 3i7k s ALA 485 Cb 0.07 0.34 -0.08 0.00 0.00 0.00 0.00 23.12 23.45 3i7k s ALA 485 CO 0.19 -0.50 2.19 -1.17 0.00 0.00 0.00 175.76 176.46 3i7k s LEU 486 N -1.84 3.09 0.00 0.00 2.96 -1.26 -2.46 118.68 119.18 3i7k s LEU 486 Ca -0.06 -0.04 0.18 0.00 -0.22 0.00 0.00 54.13 53.99 3i7k s LEU 486 Cb -0.01 -2.54 0.94 0.00 0.50 0.00 0.00 46.19 45.08 3i7k s LEU 486 CO 0.00 -3.19 1.53 1.33 -1.32 0.00 0.00 176.35 174.70 3i7k n VAL 487 N 8.19 0.37 0.00 1.68 0.24 0.29 -4.86 118.33 124.24 3i7k n VAL 487 Ca 0.40 0.09 0.00 0.00 -2.04 0.00 0.00 64.34 62.79 3i7k n VAL 487 Cb 0.47 -0.80 0.00 0.00 -1.47 0.00 0.00 33.84 32.04 3i7k n VAL 487 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3i7k n SER 488 N -1.22 0.00 -3.65 -1.34 3.41 -1.25 -4.58 113.62 104.98 3i7k n SER 488 Ca 0.10 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.67 3i7k n SER 488 Cb 0.12 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.02 3i7k n SER 488 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3i7k s GLU 489 N -2.00 0.53 -0.08 4.33 2.12 -1.26 -2.76 118.70 119.57 3i7k s GLU 489 Ca 0.00 1.32 -0.12 0.00 0.36 0.00 0.00 54.97 56.53 3i7k s GLU 489 Cb 0.00 0.65 -0.05 0.00 0.26 0.00 0.00 34.13 34.99 3i7k s GLU 489 CO 0.00 -0.20 0.28 -0.46 -0.54 0.00 0.00 175.26 174.33 3i7k s TRP 490 N 2.65 3.62 0.20 5.30 -0.00 -0.96 -5.01 118.94 124.75 3i7k s TRP 490 Ca -0.06 0.73 0.02 0.00 -0.00 0.00 0.00 56.10 56.79 3i7k s TRP 490 Cb -0.11 -2.16 -0.05 0.00 -0.00 0.00 0.00 33.47 31.15 3i7k s TRP 490 CO -0.18 0.59 0.03 0.21 -0.00 0.00 0.00 176.95 177.60 3i7k s LYS 491 N -0.72 1.21 0.03 5.86 2.20 -1.26 -1.93 119.74 125.13 3i7k s LYS 491 Ca 0.19 -1.61 -0.30 0.00 -0.36 0.00 0.00 55.97 53.89 3i7k s LYS 491 Cb -0.14 -0.30 -0.05 0.00 -1.51 0.00 0.00 37.83 35.83 3i7k s LYS 491 CO 0.08 -0.17 1.13 -2.00 -0.36 0.00 0.00 175.35 174.03 3i7k s GLU 492 N -3.94 4.47 0.19 4.03 -6.30 -1.26 -4.91 118.70 110.98 3i7k s GLU 492 Ca 0.28 1.65 0.08 0.00 -2.50 0.00 0.00 54.97 54.48 3i7k s GLU 492 Cb 0.06 -3.40 0.62 0.00 0.00 0.00 0.00 34.13 31.42 3i7k s GLU 492 CO 0.07 -0.21 0.86 -2.30 0.02 0.00 0.00 175.26 173.71 3i7k n PRO 493 N 4.00 -0.04 -0.46 4.30 -0.02 -1.26 0.94 135.00 142.47 3i7k n PRO 493 Ca 0.08 0.78 0.08 0.00 -2.02 0.00 0.00 63.50 62.42 3i7k n PRO 493 Cb 0.48 -1.34 0.26 0.00 -0.02 0.00 0.00 33.50 32.88 3i7k n PRO 493 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3i7k n GLN 494 N -4.40 3.18 -1.44 -0.52 6.02 -1.26 -4.95 117.38 114.01 3i7k n GLN 494 Ca 0.18 -2.74 -0.15 0.00 -0.01 0.00 0.00 57.00 54.27 3i7k n GLN 494 Cb 0.60 -1.79 -0.06 0.00 1.02 0.00 0.00 30.24 30.00 3i7k n GLN 494 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3i7k n ALA 495 N -0.11 -0.23 -1.63 -1.58 0.00 0.27 -5.00 120.51 112.23 3i7k n ALA 495 Ca 0.21 0.24 -0.35 0.00 0.00 0.00 0.00 53.44 53.54 3i7k n ALA 495 Cb 0.84 -1.74 0.05 0.00 0.00 0.00 0.00 19.45 18.61 3i7k n ALA 495 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3i7k s LYS 496 N -3.22 2.78 0.25 0.00 1.02 -1.26 -4.93 119.74 114.37 3i7k s LYS 496 Ca 0.00 1.74 -0.29 0.00 0.02 0.00 0.00 55.97 57.44 3i7k s LYS 496 Cb 0.00 -1.91 -0.09 0.00 -0.52 0.00 0.00 37.83 35.31 3i7k s LYS 496 CO 0.00 -1.34 0.93 -0.80 -0.92 0.00 0.00 175.35 173.22 3i7k s ASN 497 N -1.84 7.59 0.27 2.83 0.01 -1.26 -4.48 114.94 118.05 3i7k s ASN 497 Ca 0.75 1.91 -0.30 0.00 -0.71 0.00 0.00 52.86 54.52 3i7k s ASN 497 Cb -0.28 -2.60 -0.10 0.00 0.41 0.00 0.00 41.25 38.68 3i7k s ASN 497 CO 0.37 0.13 1.38 -0.63 -1.51 0.00 0.00 177.10 176.84 3i7k s ILE 498 N -1.24 2.74 -0.18 0.60 1.01 0.24 -4.62 121.20 119.75 3i7k s ILE 498 Ca 0.42 0.65 -0.16 0.00 0.00 0.00 0.00 60.65 61.56 3i7k s ILE 498 Cb -0.25 -3.42 -0.07 0.00 0.01 0.00 0.00 42.46 38.74 3i7k s ILE 498 CO 0.30 0.12 -0.33 -1.20 0.00 0.00 0.00 174.94 173.84 3i7k n SER 499 N 1.88 1.86 -4.19 3.58 7.64 0.43 -4.77 113.62 120.06 3i7k n SER 499 Ca 0.05 0.32 -0.30 0.00 1.01 0.00 0.00 58.87 59.94 3i7k n SER 499 Cb 0.41 -0.72 -0.17 0.00 -1.01 0.00 0.00 64.21 62.72 3i7k n SER 499 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3i7k s VAL 500 N -2.77 1.85 0.77 0.44 1.01 -1.11 -4.96 120.40 115.62 3i7k s VAL 500 Ca -0.29 -0.91 -0.12 0.00 0.00 0.00 0.00 61.98 60.67 3i7k s VAL 500 Cb 0.06 -1.60 0.17 0.00 0.00 0.00 0.00 36.38 35.01 3i7k s VAL 500 CO 0.41 0.51 1.04 0.00 0.00 0.00 0.00 175.10 177.07 3i7k n ALA 501 N 3.43 -1.05 0.00 5.51 0.00 -1.26 -1.67 120.51 125.47 3i7k n ALA 501 Ca -0.19 -1.43 0.00 0.00 0.00 0.00 0.00 53.44 51.81 3i7k n ALA 501 Cb 0.53 -0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.95 3i7k n ALA 501 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3i7k n SER 502 N -3.59 0.00 -3.36 0.00 2.88 -1.23 -4.56 113.62 103.76 3i7k n SER 502 Ca 0.13 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.69 3i7k n SER 502 Cb 0.47 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.91 3i7k n SER 502 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3i7k n ASN 504 N 5.43 0.00 0.00 0.00 0.23 -1.06 -4.99 115.26 114.87 3i7k n ASN 504 Ca -0.06 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.99 3i7k n ASN 504 Cb 0.50 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.20 3i7k n ASN 504 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 3i7k n SER 505 N -0.59 0.00 0.00 0.53 2.88 -1.26 -4.82 113.62 110.35 3i7k n SER 505 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 3i7k n SER 505 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 3i7k n SER 505 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 3i7k n SER 506 N -0.31 0.34 -3.93 -3.46 7.64 -1.23 -3.60 113.62 109.07 3i7k n SER 506 Ca 0.00 -1.11 -0.10 0.00 1.01 0.00 0.00 58.87 58.67 3i7k n SER 506 Cb 0.00 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.09 3i7k n SER 506 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 3i7k s GLN 507 N -0.11 0.34 -0.01 1.43 -0.21 -1.26 -4.16 119.66 115.68 3i7k s GLN 507 Ca 0.00 -0.45 0.02 0.00 0.02 0.00 0.00 55.36 54.95 3i7k s GLN 507 Cb 0.00 0.13 -0.00 0.00 1.00 0.00 0.00 33.01 34.14 3i7k s GLN 507 CO 0.00 -0.07 -0.07 0.08 -2.12 0.00 0.00 175.29 173.11 3i7k s VAL 508 N -1.25 0.62 -0.33 1.09 1.01 -1.25 -2.56 120.40 117.73 3i7k s VAL 508 Ca -0.14 -0.31 -0.01 0.00 0.00 0.00 0.00 61.98 61.53 3i7k s VAL 508 Cb -0.08 -0.54 0.13 0.00 0.00 0.00 0.00 36.38 35.89 3i7k s VAL 508 CO 0.00 0.19 0.23 -0.69 0.00 0.00 0.00 175.10 174.83 3i7k s VAL 509 N -0.02 -0.10 0.71 2.92 1.01 0.33 -3.01 120.40 122.24 3i7k s VAL 509 Ca 0.01 -1.09 -0.02 0.00 0.00 0.00 0.00 61.98 60.88 3i7k s VAL 509 Cb -0.05 -0.97 0.11 0.00 0.00 0.00 0.00 36.38 35.47 3i7k s VAL 509 CO -0.00 -0.75 0.98 0.68 0.00 0.00 0.00 175.10 176.01 3i7k s VAL 510 N 1.66 2.21 -0.04 2.92 -7.23 -1.18 -3.55 120.40 115.19 3i7k s VAL 510 Ca 0.14 -0.54 -0.03 0.00 -1.81 0.00 0.00 61.98 59.73 3i7k s VAL 510 Cb -0.18 -2.67 0.01 0.00 0.56 0.00 0.00 36.38 34.10 3i7k s VAL 510 CO -0.17 0.00 0.10 0.00 -0.31 0.00 0.00 175.10 174.72 3i7k s ALA 511 N -3.14 -0.23 -0.28 1.32 0.00 -0.67 -3.33 121.76 115.43 3i7k s ALA 511 Ca 0.65 0.30 -0.01 0.00 0.00 0.00 0.00 51.96 52.90 3i7k s ALA 511 Cb -0.06 -0.18 0.05 0.00 0.00 0.00 0.00 23.12 22.92 3i7k s ALA 511 CO 0.44 -0.05 -0.04 0.08 0.00 0.00 0.00 175.76 176.18 3i7k s VAL 512 N 0.15 2.77 0.00 0.00 1.01 0.04 0.16 120.40 124.54 3i7k s VAL 512 Ca -0.01 -1.35 0.00 0.00 0.00 0.00 0.00 61.98 60.62 3i7k s VAL 512 Cb -0.02 -2.55 0.00 0.00 0.00 0.00 0.00 36.38 33.81 3i7k s VAL 512 CO -0.00 -0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.70 3i7k n GLY 513 N 4.59 0.31 0.02 4.51 0.00 -1.26 0.23 105.19 113.59 3i7k n GLY 513 Ca -0.14 0.09 0.08 0.00 0.00 0.00 0.00 46.02 46.04 3i7k n GLY 513 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i7k n ARG 514 N 0.00 0.65 -2.85 1.61 1.74 -1.26 -1.40 116.66 115.15 3i7k n ARG 514 Ca 0.00 -0.17 -0.36 0.00 -0.77 0.00 0.00 57.85 56.56 3i7k n ARG 514 Cb 0.00 -1.48 -0.06 0.00 -1.02 0.00 0.00 32.46 29.89 3i7k n ARG 514 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i7k s ALA 515 N -3.31 3.21 0.00 7.54 0.00 0.13 0.74 121.76 130.08 3i7k s ALA 515 Ca -0.08 0.42 0.04 0.00 0.00 0.00 0.00 51.96 52.34 3i7k s ALA 515 Cb 0.12 -3.10 -0.01 0.00 0.00 0.00 0.00 23.12 20.13 3i7k s ALA 515 CO 0.84 0.20 -0.11 -0.51 0.00 0.00 0.00 175.76 176.17 3i7k s LEU 516 N -2.32 2.06 -0.09 0.00 1.43 -0.09 -0.78 118.68 118.88 3i7k s LEU 516 Ca 0.52 -0.26 -0.01 0.00 -1.03 0.00 0.00 54.13 53.35 3i7k s LEU 516 Cb -0.16 -0.54 0.03 0.00 0.03 0.00 0.00 46.19 45.55 3i7k s LEU 516 CO 0.21 0.09 -0.05 -0.31 0.23 0.00 0.00 176.35 176.53 3i7k s TYR 517 N -0.43 1.14 -0.42 0.29 1.51 -1.21 -3.21 117.35 115.02 3i7k s TYR 517 Ca 0.03 -0.50 -0.19 0.00 -1.01 0.00 0.00 57.07 55.41 3i7k s TYR 517 Cb -0.05 -1.04 0.02 0.00 -0.11 0.00 0.00 41.96 40.78 3i7k s TYR 517 CO -0.00 -0.43 0.52 -0.47 -1.11 0.00 0.00 175.55 174.06 3i7k s TYR 518 N 1.75 3.13 0.55 2.71 6.04 -1.19 -3.11 117.35 127.23 3i7k s TYR 518 Ca 0.04 -0.23 0.08 0.00 0.04 0.00 0.00 57.07 56.99 3i7k s TYR 518 Cb -0.13 -3.06 0.08 0.00 -1.04 0.00 0.00 41.96 37.81 3i7k s TYR 518 CO -0.06 -0.76 0.63 1.28 -1.54 0.00 0.00 175.55 175.10 3i7k n LEU 519 N 5.85 0.00 -3.81 6.97 4.77 -1.17 -0.02 117.00 129.60 3i7k n LEU 519 Ca -0.05 -2.56 -0.12 0.00 -0.03 0.00 0.00 56.01 53.24 3i7k n LEU 519 Cb 0.48 -0.26 -0.11 0.00 -2.33 0.00 0.00 43.42 41.19 3i7k n LEU 519 CO 0.49 -0.65 -0.10 -1.58 -1.33 0.00 0.00 177.39 174.22 3i7k s GLN 520 N -4.40 0.40 -0.78 3.23 0.74 0.17 -3.79 119.66 115.22 3i7k s GLN 520 Ca 0.48 0.05 -0.03 0.00 0.05 0.00 0.00 55.36 55.91 3i7k s GLN 520 Cb -0.04 0.18 0.25 0.00 1.10 0.00 0.00 33.01 34.50 3i7k s GLN 520 CO 0.30 -0.08 2.25 -0.89 -0.55 0.00 0.00 175.29 176.32 3i7k n ILE 521 N 2.26 3.90 -2.70 -2.34 2.08 -1.26 -0.25 119.36 121.05 3i7k n ILE 521 Ca -0.17 -4.11 -0.39 0.00 0.56 0.00 0.00 62.75 58.64 3i7k n ILE 521 Cb 0.57 -1.43 -0.06 0.00 -0.75 0.00 0.00 39.64 37.98 3i7k n ILE 521 CO 0.00 0.00 0.00 -1.00 0.56 0.00 0.00 176.55 176.11 3i7k s HIS 522 N -3.24 3.78 -0.19 1.39 3.76 -1.23 -4.66 115.29 114.89 3i7k s HIS 522 Ca 0.53 1.82 -0.18 0.00 -0.15 0.00 0.00 55.06 57.08 3i7k s HIS 522 Cb 0.38 -3.02 -0.08 0.00 1.11 0.00 0.00 32.58 30.97 3i7k s HIS 522 CO -0.31 0.14 0.66 -2.30 -0.85 0.00 0.00 174.74 172.09 3i7k n PRO 523 N 1.03 0.00 -1.34 8.40 -0.02 -1.26 -2.65 135.00 139.16 3i7k n PRO 523 Ca -0.00 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.36 3i7k n PRO 523 Cb 0.48 -0.58 -0.05 0.00 -0.02 0.00 0.00 33.50 33.33 3i7k n PRO 523 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3i7k n GLN 524 N 1.83 -1.24 -3.69 -0.52 6.02 -1.26 -4.93 117.38 113.58 3i7k n GLN 524 Ca 0.14 0.88 -0.14 0.00 -0.01 0.00 0.00 57.00 57.87 3i7k n GLN 524 Cb -0.02 -5.06 -0.08 0.00 1.02 0.00 0.00 30.24 26.10 3i7k n GLN 524 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.06 174.22 3i7k s GLU 525 N -2.87 0.69 -0.59 -1.09 -1.05 -1.08 -4.52 118.70 108.19 3i7k s GLU 525 Ca 0.00 0.27 -0.20 0.00 -0.15 0.00 0.00 54.97 54.89 3i7k s GLU 525 Cb 0.00 0.32 0.09 0.00 -0.44 0.00 0.00 34.13 34.10 3i7k s GLU 525 CO 0.00 -0.16 0.76 -0.51 0.95 0.00 0.00 175.26 176.30 3i7k s LEU 526 N -0.61 5.08 -0.36 1.83 1.43 -1.26 -3.57 118.68 121.22 3i7k s LEU 526 Ca -0.07 -1.24 -0.11 0.00 -1.03 0.00 0.00 54.13 51.68 3i7k s LEU 526 Cb -0.03 -2.36 0.02 0.00 0.03 0.00 0.00 46.19 43.84 3i7k s LEU 526 CO 0.04 -1.16 0.20 -0.60 0.23 0.00 0.00 176.35 175.05 3i7k s ARG 527 N 3.02 2.95 0.54 1.70 3.52 0.65 -4.81 118.95 126.53 3i7k s ARG 527 Ca 0.15 -0.99 -0.21 0.00 -0.13 0.00 0.00 55.73 54.54 3i7k s ARG 527 Cb -0.22 -3.71 -0.05 0.00 -1.56 0.00 0.00 34.95 29.42 3i7k s ARG 527 CO 0.08 -0.64 1.27 -1.14 -0.81 0.00 0.00 175.30 174.06 3i7k s GLN 528 N 1.57 3.22 0.00 5.12 0.74 -1.26 0.41 119.66 129.47 3i7k s GLN 528 Ca 0.03 2.00 0.00 0.00 0.05 0.00 0.00 55.36 57.44 3i7k s GLN 528 Cb -0.19 -2.19 0.00 0.00 1.10 0.00 0.00 33.01 31.74 3i7k s GLN 528 CO 0.07 -1.05 0.00 -0.89 -0.55 0.00 0.00 175.29 172.86 3i7k n ILE 529 N -1.08 0.00 -4.19 -2.34 2.08 0.97 -4.88 119.36 109.92 3i7k n ILE 529 Ca 0.11 0.00 -0.12 0.00 0.56 0.00 0.00 62.75 63.30 3i7k n ILE 529 Cb 0.47 -0.14 -0.10 0.00 -0.75 0.00 0.00 39.64 39.12 3i7k n ILE 529 CO 0.00 0.00 0.00 -0.44 0.56 0.00 0.00 176.55 176.67 3i7k s SER 530 N -3.03 0.14 -0.30 4.38 0.01 -0.96 -4.98 113.70 108.96 3i7k s SER 530 Ca 0.00 -1.36 -0.12 0.00 1.31 0.00 0.00 55.95 55.78 3i7k s SER 530 Cb 0.00 0.39 0.16 0.00 0.21 0.00 0.00 66.02 66.78 3i7k s SER 530 CO 0.00 -0.86 0.89 -2.28 0.41 0.00 0.00 173.24 171.40 3i7k s HIS 531 N -4.15 -0.89 0.26 2.43 2.46 -1.26 -3.17 115.29 110.96 3i7k s HIS 531 Ca 0.37 1.36 0.04 0.00 0.47 0.00 0.00 55.06 57.30 3i7k s HIS 531 Cb 0.07 0.47 -0.05 0.00 -0.13 0.00 0.00 32.58 32.93 3i7k s HIS 531 CO 0.11 -0.46 0.01 0.99 -2.47 0.00 0.00 174.74 172.92 3i7k s THR 532 N 2.66 1.13 -0.04 0.89 2.01 -1.20 -5.02 115.64 116.08 3i7k s THR 532 Ca -0.00 -2.04 0.05 0.00 0.31 0.00 0.00 61.69 60.01 3i7k s THR 532 Cb -0.09 -2.46 -0.01 0.00 0.01 0.00 0.00 72.50 69.95 3i7k s THR 532 CO -0.17 -0.24 -0.19 -0.70 -0.69 0.00 0.00 174.62 172.63 3i7k s GLU 533 N -3.86 1.81 0.31 4.92 2.12 -1.26 -0.92 118.70 121.82 3i7k s GLU 533 Ca 0.31 -0.67 -0.09 0.00 0.36 0.00 0.00 54.97 54.88 3i7k s GLU 533 Cb 0.06 -1.61 -0.07 0.00 0.26 0.00 0.00 34.13 32.77 3i7k s GLU 533 CO 0.11 0.31 0.63 -1.64 -0.54 0.00 0.00 175.26 174.13 3i7k s MET 534 N -0.12 3.77 0.59 4.30 -1.94 0.23 -4.96 119.30 121.17 3i7k s MET 534 Ca -0.01 0.30 0.30 0.00 -1.71 0.00 0.00 55.69 54.57 3i7k s MET 534 Cb -0.11 -2.55 1.81 0.00 2.01 0.00 0.00 34.83 35.99 3i7k s MET 534 CO 0.02 0.17 2.25 1.49 -0.01 0.00 0.00 175.02 178.93 3i7k h GLU 535 N 1.92 0.00 -4.84 2.03 4.81 -2.01 -3.44 114.58 113.04 3i7k h GLU 535 Ca -0.47 0.00 -0.44 0.00 -0.13 0.00 0.00 59.36 58.32 3i7k h GLU 535 Cb 1.18 0.00 -0.13 0.00 0.63 0.00 0.00 28.75 30.43 3i7k h GLU 535 CO 0.66 0.01 -0.49 -1.01 -0.73 0.00 0.00 179.01 177.45 3i7k s HIS 536 N -4.60 1.67 0.37 0.92 3.76 -1.26 -5.08 115.29 111.07 3i7k s HIS 536 Ca -0.05 -1.62 -0.27 0.00 -0.15 0.00 0.00 55.06 52.97 3i7k s HIS 536 Cb 0.15 -0.68 -0.09 0.00 1.11 0.00 0.00 32.58 33.07 3i7k s HIS 536 CO 0.55 -0.86 1.24 -2.00 -0.85 0.00 0.00 174.74 172.81 3i7k s GLU 537 N -3.50 4.19 -0.11 1.40 2.12 -1.26 -4.43 118.70 117.12 3i7k s GLU 537 Ca 0.40 2.03 -0.24 0.00 0.36 0.00 0.00 54.97 57.52 3i7k s GLU 537 Cb 0.03 -2.88 -0.03 0.00 0.26 0.00 0.00 34.13 31.51 3i7k s GLU 537 CO 0.26 -0.26 0.74 0.08 -0.54 0.00 0.00 175.26 175.54 3i7k s VAL 538 N -1.26 4.99 -0.19 3.70 1.01 -0.49 -1.85 120.40 126.30 3i7k s VAL 538 Ca 0.53 1.50 -0.11 0.00 0.00 0.00 0.00 61.98 63.89 3i7k s VAL 538 Cb -0.35 -4.07 -0.20 0.00 0.00 0.00 0.00 36.38 31.75 3i7k s VAL 538 CO 0.46 0.17 0.11 0.00 0.00 0.00 0.00 175.10 175.84 3i7k n ALA 539 N 4.35 0.99 -3.03 5.51 0.00 0.24 -4.85 120.51 123.72 3i7k n ALA 539 Ca 0.01 -0.72 -0.11 0.00 0.00 0.00 0.00 53.44 52.62 3i7k n ALA 539 Cb 0.50 -0.43 -0.06 0.00 0.00 0.00 0.00 19.45 19.46 3i7k n ALA 539 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i7k s LEU 541 N -2.31 1.20 -0.14 0.00 1.43 -1.26 -0.85 118.68 116.75 3i7k s LEU 541 Ca -0.02 0.08 -0.10 0.00 -1.03 0.00 0.00 54.13 53.06 3i7k s LEU 541 Cb 0.00 0.91 0.04 0.00 0.03 0.00 0.00 46.19 47.17 3i7k s LEU 541 CO -0.06 -0.32 0.35 -0.62 0.23 0.00 0.00 176.35 175.93 3i7k s ASP 542 N -0.95 -0.39 -0.08 2.29 -1.08 -0.95 -4.80 116.67 110.72 3i7k s ASP 542 Ca -0.10 0.72 -0.03 0.00 -0.52 0.00 0.00 52.55 52.62 3i7k s ASP 542 Cb -0.05 0.68 0.04 0.00 -1.46 0.00 0.00 42.92 42.13 3i7k s ASP 542 CO 0.02 -0.15 0.07 0.27 0.52 0.00 0.00 175.17 175.90 3i7k s ILE 543 N 0.68 -0.07 -0.12 4.11 -5.25 -1.26 -2.16 121.20 117.13 3i7k s ILE 543 Ca -0.04 0.22 -0.04 0.00 -0.99 0.00 0.00 60.65 59.80 3i7k s ILE 543 Cb -0.05 -0.31 0.06 0.00 2.95 0.00 0.00 42.46 45.11 3i7k s ILE 543 CO -0.04 0.04 0.21 0.42 -1.79 0.00 0.00 174.94 173.77 3i7k s THR 544 N 2.14 -0.32 0.30 8.37 -4.23 -1.26 -3.78 115.64 116.86 3i7k s THR 544 Ca 0.04 0.23 -0.28 0.00 -1.18 0.00 0.00 61.69 60.50 3i7k s THR 544 Cb -0.13 -0.43 -0.14 0.00 1.34 0.00 0.00 72.50 73.15 3i7k s THR 544 CO -0.05 0.06 1.03 -0.81 -0.54 0.00 0.00 174.62 174.32 3i7k n PRO 545 N 5.33 1.43 -3.74 3.99 -0.04 -1.26 -4.93 135.00 135.78 3i7k n PRO 545 Ca -0.05 0.50 -0.28 0.00 -0.04 0.00 0.00 63.50 63.63 3i7k n PRO 545 Cb 0.50 -1.90 -0.11 0.00 -0.04 0.00 0.00 33.50 31.95 3i7k n PRO 545 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3i7k n LEU 546 N 1.14 3.30 0.00 1.53 4.77 -1.26 -4.91 117.00 121.57 3i7k n LEU 546 Ca 0.09 -5.29 0.00 0.00 -0.03 0.00 0.00 56.01 50.78 3i7k n LEU 546 Cb 0.33 -0.74 0.00 0.00 -2.33 0.00 0.00 43.42 40.68 3i7k n LEU 546 CO 0.60 1.85 0.00 0.61 -1.33 0.00 0.00 177.39 179.12 3i7k n GLY 547 N 1.59 1.01 0.00 -0.72 0.00 -1.26 -4.70 105.19 101.11 3i7k n GLY 547 Ca 0.23 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.71 3i7k n GLY 547 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i7k n ASP 548 N 3.73 0.00 -3.85 1.61 8.00 -1.26 -4.38 116.55 120.40 3i7k n ASP 548 Ca 0.00 0.18 -0.12 0.00 0.71 0.00 0.00 54.79 55.56 3i7k n ASP 548 Cb 0.00 -0.18 -0.11 0.00 -0.02 0.00 0.00 41.12 40.81 3i7k n ASP 548 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3i7k s SER 549 N -2.27 -0.05 -0.51 -2.24 1.04 -1.26 -5.13 113.70 103.27 3i7k s SER 549 Ca 0.00 -0.01 -0.00 0.00 0.48 0.00 0.00 55.95 56.42 3i7k s SER 549 Cb 0.00 0.26 0.13 0.00 0.10 0.00 0.00 66.02 66.52 3i7k s SER 549 CO 0.00 -0.27 0.29 0.20 0.98 0.00 0.00 173.24 174.44 3i7k s ASN 550 N -0.87 4.93 0.00 7.02 0.01 -1.26 -4.38 114.94 120.38 3i7k s ASN 550 Ca -0.10 -2.63 0.00 0.00 -0.71 0.00 0.00 52.86 49.43 3i7k s ASN 550 Cb -0.05 -1.76 0.00 0.00 0.41 0.00 0.00 41.25 39.85 3i7k s ASN 550 CO 0.01 -0.37 0.00 0.61 -1.51 0.00 0.00 177.10 175.84 3i7k n GLY 551 N 3.73 2.37 3.30 0.66 0.00 -1.26 -5.00 105.19 108.98 3i7k n GLY 551 Ca 0.04 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.61 3i7k n GLY 551 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3i7k s LEU 552 N 0.00 6.33 -0.19 0.99 2.96 -1.26 -3.47 118.68 124.05 3i7k s LEU 552 Ca 0.00 -2.23 -0.29 0.00 -0.22 0.00 0.00 54.13 51.39 3i7k s LEU 552 Cb 0.00 -2.17 -0.01 0.00 0.50 0.00 0.00 46.19 44.51 3i7k s LEU 552 CO 0.00 -0.70 1.24 -0.55 -1.32 0.00 0.00 176.35 175.02 3i7k s SER 553 N 2.77 6.94 0.29 3.68 0.15 -1.26 -4.78 113.70 121.49 3i7k s SER 553 Ca 0.10 1.61 0.26 0.00 0.70 0.00 0.00 55.95 58.61 3i7k s SER 553 Cb -0.21 -2.54 0.77 0.00 -1.71 0.00 0.00 66.02 62.33 3i7k s SER 553 CO -0.03 -0.78 1.74 -0.65 1.20 0.00 0.00 173.24 174.73 3i7k h PRO 554 N 8.22 0.00 -5.19 5.44 0.11 -1.96 -3.45 132.00 135.17 3i7k h PRO 554 Ca -0.25 0.00 -0.44 0.00 0.11 0.00 0.00 66.00 65.41 3i7k h PRO 554 Cb 1.10 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.07 3i7k h PRO 554 CO 0.98 0.00 -0.62 -0.51 -0.21 0.00 0.00 178.00 177.63 3i7k s LEU 555 N -4.98 2.15 -0.03 2.35 1.43 -1.26 -3.42 118.68 114.93 3i7k s LEU 555 Ca 0.08 -1.33 -0.00 0.00 -1.03 0.00 0.00 54.13 51.85 3i7k s LEU 555 Cb 0.10 -0.35 0.03 0.00 0.03 0.00 0.00 46.19 46.00 3i7k s LEU 555 CO 0.58 -0.58 0.02 0.00 0.23 0.00 0.00 176.35 176.60 3i7k s ALA 557 N 1.20 3.69 -0.08 0.00 0.00 -0.92 -0.36 121.76 125.30 3i7k s ALA 557 Ca -0.07 -0.39 -0.07 0.00 0.00 0.00 0.00 51.96 51.43 3i7k s ALA 557 Cb -0.13 -2.31 0.03 0.00 0.00 0.00 0.00 23.12 20.70 3i7k s ALA 557 CO -0.03 0.36 0.21 -1.50 0.00 0.00 0.00 175.76 174.80 3i7k s ILE 558 N -0.47 -0.01 -0.14 0.00 2.07 -0.47 -2.24 121.20 119.95 3i7k s ILE 558 Ca 0.20 0.04 -0.00 0.00 -1.41 0.00 0.00 60.65 59.47 3i7k s ILE 558 Cb -0.14 -0.30 -0.01 0.00 0.13 0.00 0.00 42.46 42.13 3i7k s ILE 558 CO 0.08 0.02 -0.13 -0.83 -1.91 0.00 0.00 174.94 172.16 3i7k s GLY 559 N 0.37 1.53 0.56 1.50 0.00 -0.03 -0.41 107.32 110.84 3i7k s GLY 559 Ca -0.02 -0.92 0.09 0.00 0.00 0.00 0.00 44.72 43.87 3i7k s GLY 559 CO -0.02 -0.14 0.76 1.08 0.00 0.00 0.00 173.10 174.78 3i7k s LEU 560 N 0.46 3.15 -0.04 0.66 1.43 -0.28 0.83 118.68 124.88 3i7k s LEU 560 Ca -0.10 -0.82 0.07 0.00 -1.03 0.00 0.00 54.13 52.26 3i7k s LEU 560 Cb -0.16 -1.72 -0.11 0.00 0.03 0.00 0.00 46.19 44.24 3i7k s LEU 560 CO 0.05 -1.28 0.10 0.79 0.23 0.00 0.00 176.35 176.23 3i7k n TRP 561 N -2.19 0.00 -0.04 0.29 7.02 -0.77 -4.17 117.44 117.57 3i7k n TRP 561 Ca 0.15 0.00 -0.06 0.00 -1.02 0.00 0.00 57.50 56.56 3i7k n TRP 561 Cb 0.61 -0.27 -0.03 0.00 -2.42 0.00 0.00 31.31 29.20 3i7k n TRP 561 CO 0.00 0.00 0.00 2.41 -2.02 0.00 0.00 177.69 178.08 3i7k n THR 562 N -2.02 0.43 1.49 -0.99 -1.04 -1.26 -4.53 114.28 106.36 3i7k n THR 562 Ca -0.07 -0.15 0.06 0.00 -2.04 0.00 0.00 64.05 61.86 3i7k n THR 562 Cb 0.47 -1.06 0.24 0.00 -1.82 0.00 0.00 70.33 68.17 3i7k n THR 562 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 3i7k n ASP 563 N -2.94 0.94 -3.92 8.00 5.75 -1.26 -4.93 116.55 118.19 3i7k n ASP 563 Ca -0.14 -1.82 -0.35 0.00 -0.01 0.00 0.00 54.79 52.47 3i7k n ASP 563 Cb 0.63 -0.09 0.01 0.00 -1.03 0.00 0.00 41.12 40.64 3i7k n ASP 563 CO 0.00 0.00 0.00 -0.38 -0.11 0.00 0.00 177.20 176.71 3i7k n ILE 564 N -0.06 -2.78 -4.02 2.12 -0.00 -1.26 -4.36 119.36 109.00 3i7k n ILE 564 Ca 0.10 -0.29 -0.11 0.00 -0.00 0.00 0.00 62.75 62.45 3i7k n ILE 564 Cb 0.18 -2.42 -0.11 0.00 -0.00 0.00 0.00 39.64 37.28 3i7k n ILE 564 CO 0.00 0.00 0.00 -0.94 -0.00 0.00 0.00 176.55 175.61 3i7k s SER 565 N -3.28 0.55 0.09 4.38 1.04 -1.26 -1.15 113.70 114.08 3i7k s SER 565 Ca 0.24 -0.52 0.07 0.00 0.48 0.00 0.00 55.95 56.22 3i7k s SER 565 Cb -0.14 0.07 -0.04 0.00 0.10 0.00 0.00 66.02 66.01 3i7k s SER 565 CO 0.90 -0.25 -0.09 0.00 0.98 0.00 0.00 173.24 174.78 3i7k s ALA 566 N -1.40 2.97 0.12 5.32 0.00 -0.42 -1.13 121.76 127.23 3i7k s ALA 566 Ca -0.13 -1.21 -0.07 0.00 0.00 0.00 0.00 51.96 50.55 3i7k s ALA 566 Cb -0.10 -0.93 -0.01 0.00 0.00 0.00 0.00 23.12 22.08 3i7k s ALA 566 CO -0.00 0.64 0.20 -0.98 0.00 0.00 0.00 175.76 175.62 3i7k s ARG 567 N -2.12 0.97 -0.18 0.00 3.03 0.45 0.04 118.95 121.14 3i7k s ARG 567 Ca 0.21 -1.13 -0.03 0.00 2.03 0.00 0.00 55.73 56.80 3i7k s ARG 567 Cb -0.11 0.34 -0.02 0.00 -1.03 0.00 0.00 34.95 34.13 3i7k s ARG 567 CO 0.13 -0.32 -0.05 0.42 -1.13 0.00 0.00 175.30 174.35 3i7k s ILE 568 N -3.94 3.58 0.41 4.99 -1.09 -0.43 -1.37 121.20 123.35 3i7k s ILE 568 Ca 0.13 -0.45 0.07 0.00 -2.23 0.00 0.00 60.65 58.17 3i7k s ILE 568 Cb 0.05 -2.59 -0.06 0.00 -1.58 0.00 0.00 42.46 38.27 3i7k s ILE 568 CO -0.05 0.46 0.10 -0.76 -1.23 0.00 0.00 174.94 173.47 3i7k s LEU 569 N 0.84 3.01 -0.34 2.97 1.43 0.52 -2.84 118.68 124.27 3i7k s LEU 569 Ca -0.01 -1.21 0.02 0.00 -1.03 0.00 0.00 54.13 51.90 3i7k s LEU 569 Cb -0.15 -1.20 0.09 0.00 0.03 0.00 0.00 46.19 44.97 3i7k s LEU 569 CO 0.01 -0.50 0.06 -0.75 0.23 0.00 0.00 176.35 175.41 3i7k s LYS 570 N -3.82 1.81 0.30 1.70 2.20 -1.23 -1.53 119.74 119.17 3i7k s LYS 570 Ca 0.38 -1.74 0.05 0.00 -0.36 0.00 0.00 55.97 54.31 3i7k s LYS 570 Cb 0.07 -3.26 0.70 0.00 -1.51 0.00 0.00 37.83 33.82 3i7k s LYS 570 CO 0.21 -0.89 1.81 -0.07 -0.36 0.00 0.00 175.35 176.04 3i7k h LEU 571 N 7.78 0.81 -1.49 5.43 3.38 -1.84 1.09 115.31 130.48 3i7k h LEU 571 Ca -0.10 0.07 0.26 0.00 0.09 0.00 0.00 57.88 58.21 3i7k h LEU 571 Cb 1.03 -0.08 -0.08 0.00 0.09 0.00 0.00 40.66 41.62 3i7k h LEU 571 CO 0.56 0.35 0.67 -0.65 0.09 0.00 0.00 178.44 179.46 3i7k h PRO 572 N 0.83 0.33 0.00 1.13 0.11 -1.90 -3.34 132.00 129.15 3i7k h PRO 572 Ca 0.54 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 66.57 3i7k h PRO 572 Cb 0.76 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.79 3i7k h PRO 572 CO -0.32 0.22 -1.24 -1.13 -0.21 0.00 0.00 178.00 175.32 3i7k n SER 573 N -4.54 3.21 0.00 -2.05 3.41 0.43 -4.88 113.62 109.19 3i7k n SER 573 Ca 0.24 -0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.84 3i7k n SER 573 Cb 0.88 -0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.76 3i7k n SER 573 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3i7k n PHE 574 N -2.70 0.00 -1.72 7.33 0.99 0.35 -4.82 117.46 116.89 3i7k n PHE 574 Ca -0.07 0.00 -0.43 0.00 -0.00 0.00 0.00 57.45 56.95 3i7k n PHE 574 Cb 0.58 0.00 -0.02 0.00 -1.00 0.00 0.00 39.48 39.04 3i7k n PHE 574 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.76 175.91 3i7k n GLU 575 N -2.10 2.40 -2.47 -1.08 0.28 -1.26 -4.55 120.64 111.86 3i7k n GLU 575 Ca 0.00 0.85 -0.43 0.00 -0.16 0.00 0.00 57.16 57.42 3i7k n GLU 575 Cb 0.00 -2.56 -0.02 0.00 1.43 0.00 0.00 31.44 30.29 3i7k n GLU 575 CO 0.00 0.00 0.00 -1.17 -0.16 0.00 0.00 177.13 175.80 3i7k s LEU 576 N -0.52 3.64 0.00 -1.84 1.98 -1.26 -3.57 118.68 117.12 3i7k s LEU 576 Ca 0.63 0.72 0.00 0.00 -2.89 0.00 0.00 54.13 52.59 3i7k s LEU 576 Cb -0.55 -3.54 0.00 0.00 0.66 0.00 0.00 46.19 42.75 3i7k s LEU 576 CO 0.52 -1.31 0.00 0.18 -1.89 0.00 0.00 176.35 173.85 3i7k n LEU 577 N 8.26 0.00 -4.42 -0.68 4.32 -1.13 -4.98 117.00 118.37 3i7k n LEU 577 Ca 0.14 0.00 -0.33 0.00 -0.02 0.00 0.00 56.01 55.80 3i7k n LEU 577 Cb 0.48 0.00 -0.13 0.00 -1.62 0.00 0.00 43.42 42.15 3i7k n LEU 577 CO 0.70 0.00 -0.41 -2.28 -1.22 0.00 0.00 177.39 174.18 3i7k s HIS 578 N 0.05 2.90 0.06 -1.77 5.65 -1.25 -5.00 115.29 115.91 3i7k s HIS 578 Ca 0.00 -0.52 0.09 0.00 0.25 0.00 0.00 55.06 54.88 3i7k s HIS 578 Cb 0.00 -1.89 -0.03 0.00 -1.18 0.00 0.00 32.58 29.48 3i7k s HIS 578 CO 0.00 -0.15 -0.26 -1.59 -0.65 0.00 0.00 174.74 172.09 3i7k s LYS 579 N 0.39 1.70 -0.19 2.88 -2.85 -1.26 -1.32 119.74 119.09 3i7k s LYS 579 Ca -0.08 -1.12 -0.02 0.00 -1.00 0.00 0.00 55.97 53.75 3i7k s LYS 579 Cb -0.15 -1.91 0.06 0.00 -2.06 0.00 0.00 37.83 33.77 3i7k s LYS 579 CO 0.04 0.49 0.02 -2.00 0.10 0.00 0.00 175.35 174.00 3i7k s GLU 580 N -1.33 0.78 -0.08 1.78 2.56 0.11 -4.98 118.70 117.53 3i7k s GLU 580 Ca 0.11 -0.43 -0.30 0.00 0.00 0.00 0.00 54.97 54.36 3i7k s GLU 580 Cb -0.10 -2.05 -0.04 0.00 2.00 0.00 0.00 34.13 33.94 3i7k s GLU 580 CO 0.02 -0.60 1.36 -1.64 -0.56 0.00 0.00 175.26 173.85 3i7k s MET 581 N 1.82 4.26 0.65 4.30 -1.94 -1.26 -1.31 119.30 125.82 3i7k s MET 581 Ca -0.01 1.85 0.01 0.00 -1.71 0.00 0.00 55.69 55.83 3i7k s MET 581 Cb -0.17 -3.72 0.10 0.00 2.01 0.00 0.00 34.83 33.05 3i7k s MET 581 CO -0.08 -0.65 0.90 -0.51 -0.01 0.00 0.00 175.02 174.67 3i7k s LEU 582 N 3.08 3.08 0.00 -0.03 1.43 -0.30 -4.99 118.68 120.95 3i7k s LEU 582 Ca 0.61 -0.34 -0.05 0.00 -1.03 0.00 0.00 54.13 53.31 3i7k s LEU 582 Cb -0.27 -2.17 0.13 0.00 0.03 0.00 0.00 46.19 43.91 3i7k s LEU 582 CO 0.22 -1.59 0.84 0.61 0.23 0.00 0.00 176.35 176.66 3i7k n GLY 583 N -2.61 -0.21 1.60 -3.19 0.00 -1.26 -4.82 105.19 94.70 3i7k n GLY 583 Ca 0.13 -1.88 0.12 0.00 0.00 0.00 0.00 46.02 44.40 3i7k n GLY 583 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i7k n GLY 584 N -0.96 -1.94 0.00 -0.02 0.00 -1.26 -4.74 105.19 96.27 3i7k n GLY 584 Ca 0.12 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.88 3i7k n GLY 584 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3i7k n GLU 585 N -3.09 0.27 -2.38 1.61 0.00 -1.26 -4.81 120.64 110.97 3i7k n GLU 585 Ca 0.01 -0.75 -0.42 0.00 0.00 0.00 0.00 57.16 56.00 3i7k n GLU 585 Cb 0.42 -0.94 -0.03 0.00 0.00 0.00 0.00 31.44 30.89 3i7k n GLU 585 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 3i7k s ILE 586 N -0.29 3.92 0.53 3.84 -1.09 -1.26 -4.99 121.20 121.86 3i7k s ILE 586 Ca 0.00 1.38 -0.21 0.00 -2.23 0.00 0.00 60.65 59.59 3i7k s ILE 586 Cb 0.00 -3.88 -0.05 0.00 -1.58 0.00 0.00 42.46 36.95 3i7k s ILE 586 CO 0.00 0.11 1.23 0.27 -1.23 0.00 0.00 174.94 175.31 3i7k s ILE 587 N 1.08 2.68 0.19 2.92 -0.00 -1.26 -4.72 121.20 122.09 3i7k s ILE 587 Ca 0.60 0.47 -0.33 0.00 -0.00 0.00 0.00 60.65 61.39 3i7k s ILE 587 Cb -0.31 -3.22 -0.14 0.00 -0.00 0.00 0.00 42.46 38.79 3i7k s ILE 587 CO 0.29 -0.04 1.43 -2.65 -0.00 0.00 0.00 174.94 173.97 3i7k n PRO 588 N -1.07 1.87 -0.10 0.37 -0.02 -1.26 -2.48 135.00 132.31 3i7k n PRO 588 Ca 0.11 0.67 -0.16 0.00 -2.02 0.00 0.00 63.50 62.10 3i7k n PRO 588 Cb 0.48 -2.34 -0.06 0.00 -0.02 0.00 0.00 33.50 31.55 3i7k n PRO 588 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 3i7k n ARG 589 N 2.51 0.53 -4.18 -0.52 0.00 0.30 -4.66 116.66 110.65 3i7k n ARG 589 Ca 0.15 0.42 -0.14 0.00 -0.00 0.00 0.00 57.85 58.27 3i7k n ARG 589 Cb 0.28 -1.61 -0.11 0.00 0.00 0.00 0.00 32.46 31.03 3i7k n ARG 589 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 3i7k s SER 590 N -6.45 1.42 0.01 6.15 0.15 -1.02 -4.65 113.70 109.31 3i7k s SER 590 Ca -0.27 -0.84 0.01 0.00 0.70 0.00 0.00 55.95 55.55 3i7k s SER 590 Cb 0.06 0.02 -0.01 0.00 -1.71 0.00 0.00 66.02 64.38 3i7k s SER 590 CO 0.42 -0.29 -0.03 -0.51 1.20 0.00 0.00 173.24 174.04 3i7k s ILE 591 N -2.59 0.17 -0.20 6.45 2.07 -1.26 -0.77 121.20 125.07 3i7k s ILE 591 Ca 0.06 -0.37 -0.14 0.00 -1.41 0.00 0.00 60.65 58.79 3i7k s ILE 591 Cb -0.02 -0.20 0.06 0.00 0.13 0.00 0.00 42.46 42.43 3i7k s ILE 591 CO -0.00 -0.13 0.50 -0.22 -1.91 0.00 0.00 174.94 173.17 3i7k s LEU 592 N -0.53 -0.13 -0.21 8.50 2.96 0.29 -4.40 118.68 125.17 3i7k s LEU 592 Ca -0.04 1.04 -0.04 0.00 -0.22 0.00 0.00 54.13 54.87 3i7k s LEU 592 Cb -0.04 1.69 -0.01 0.00 0.50 0.00 0.00 46.19 48.33 3i7k s LEU 592 CO -0.00 -0.19 -0.04 0.00 -1.32 0.00 0.00 176.35 174.80 3i7k s MET 593 N 0.86 3.44 0.06 1.98 0.23 -1.26 -1.32 119.30 123.30 3i7k s MET 593 Ca -0.05 -0.60 -0.02 0.00 -1.03 0.00 0.00 55.69 53.99 3i7k s MET 593 Cb -0.05 -3.00 -0.04 0.00 -1.53 0.00 0.00 34.83 30.21 3i7k s MET 593 CO -0.07 -0.11 0.00 0.95 -2.03 0.00 0.00 175.02 173.77 3i7k s THR 594 N 1.26 0.20 -0.16 3.16 -4.23 0.87 -4.71 115.64 112.03 3i7k s THR 594 Ca 0.03 -1.75 -0.03 0.00 -1.18 0.00 0.00 61.69 58.76 3i7k s THR 594 Cb -0.14 -1.55 -0.02 0.00 1.34 0.00 0.00 72.50 72.12 3i7k s THR 594 CO -0.01 -0.91 -0.05 -0.89 -0.54 0.00 0.00 174.62 172.22 3i7k s THR 595 N -3.93 3.69 0.07 3.99 2.01 -1.26 -1.02 115.64 119.19 3i7k s THR 595 Ca 0.08 -0.42 0.00 0.00 0.31 0.00 0.00 61.69 61.66 3i7k s THR 595 Cb 0.08 -2.62 0.00 0.00 0.01 0.00 0.00 72.50 69.97 3i7k s THR 595 CO -0.09 0.49 0.00 0.49 -0.69 0.00 0.00 174.62 174.82 3i7k n PHE 596 N 3.71 -0.10 0.00 4.92 0.99 -1.25 -4.93 117.46 120.79 3i7k n PHE 596 Ca -0.18 0.02 0.00 0.00 -0.00 0.00 0.00 57.45 57.29 3i7k n PHE 596 Cb 0.52 0.04 0.00 0.00 -1.00 0.00 0.00 39.48 39.04 3i7k n PHE 596 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 3i7k n GLU 597 N -3.30 0.00 -1.13 -1.08 1.02 -1.26 -4.99 120.64 109.90 3i7k n GLU 597 Ca 0.00 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 56.96 3i7k n GLU 597 Cb 0.18 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.53 3i7k n GLU 597 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 3i7k n SER 598 N 0.00 5.95 -3.50 1.62 7.64 -1.26 -4.63 113.62 119.43 3i7k n SER 598 Ca 0.00 -2.86 -0.00 0.00 1.01 0.00 0.00 58.87 57.02 3i7k n SER 598 Cb 0.00 -1.25 -0.05 0.00 -1.01 0.00 0.00 64.21 61.90 3i7k n SER 598 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3i7k s SER 599 N 1.03 -0.67 -0.27 6.43 0.01 -1.26 -5.14 113.70 113.83 3i7k s SER 599 Ca 0.51 0.96 -0.20 0.00 1.31 0.00 0.00 55.95 58.53 3i7k s SER 599 Cb 0.30 1.66 -0.02 0.00 0.21 0.00 0.00 66.02 68.17 3i7k s SER 599 CO -0.09 -0.14 0.59 -1.00 0.41 0.00 0.00 173.24 173.02 3i7k s HIS 600 N 2.25 3.25 -0.19 2.43 3.76 -1.25 -3.96 115.29 121.59 3i7k s HIS 600 Ca -0.05 0.68 -0.08 0.00 -0.15 0.00 0.00 55.06 55.46 3i7k s HIS 600 Cb -0.06 -2.85 -0.04 0.00 1.11 0.00 0.00 32.58 30.73 3i7k s HIS 600 CO -0.17 -0.36 0.08 0.71 -0.85 0.00 0.00 174.74 174.14 3i7k s TYR 601 N 2.48 3.29 -0.20 1.40 1.51 -0.19 -0.37 117.35 125.27 3i7k s TYR 601 Ca 0.24 0.13 -0.01 0.00 -1.01 0.00 0.00 57.07 56.43 3i7k s TYR 601 Cb -0.15 -2.10 0.05 0.00 -0.11 0.00 0.00 41.96 39.66 3i7k s TYR 601 CO 0.10 0.19 -0.02 -1.17 -1.11 0.00 0.00 175.55 173.54 3i7k s LEU 602 N 0.35 1.76 0.25 -1.29 2.96 0.16 -0.09 118.68 122.79 3i7k s LEU 602 Ca 0.04 -0.88 0.08 0.00 -0.22 0.00 0.00 54.13 53.15 3i7k s LEU 602 Cb -0.12 -0.88 -0.05 0.00 0.50 0.00 0.00 46.19 45.64 3i7k s LEU 602 CO -0.00 -0.25 -0.12 -1.48 -1.32 0.00 0.00 176.35 173.18 3i7k s LEU 603 N 1.64 2.55 -0.10 -0.68 0.05 -0.43 -2.41 118.68 119.30 3i7k s LEU 603 Ca -0.02 -1.09 -0.06 0.00 0.05 0.00 0.00 54.13 53.01 3i7k s LEU 603 Cb -0.17 -0.77 0.04 0.00 -2.05 0.00 0.00 46.19 43.24 3i7k s LEU 603 CO -0.07 -0.19 0.24 0.00 -0.55 0.00 0.00 176.35 175.78 3i7k s ALA 605 N 0.90 2.88 0.99 0.00 0.00 0.05 -2.49 121.76 124.10 3i7k s ALA 605 Ca -0.06 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.03 3i7k s ALA 605 Cb -0.08 -1.32 0.00 0.00 0.00 0.00 0.00 23.12 21.72 3i7k s ALA 605 CO -0.06 0.37 0.00 1.28 0.00 0.00 0.00 175.76 177.36 3i7k n LEU 606 N 2.98 0.00 -0.25 0.00 4.77 -0.57 -0.53 117.00 123.40 3i7k n LEU 606 Ca -0.18 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 55.88 3i7k n LEU 606 Cb 0.53 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.59 3i7k n LEU 606 CO 0.30 -0.37 0.18 0.61 -1.33 0.00 0.00 177.39 176.78 3i7k n GLY 607 N 5.00 -0.14 0.89 -0.72 0.00 -1.03 -3.37 105.19 105.82 3i7k n GLY 607 Ca 0.00 -0.43 0.12 0.00 0.00 0.00 0.00 46.02 45.71 3i7k n GLY 607 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3i7k n ASP 608 N -0.47 2.86 0.00 1.61 3.85 -1.26 -2.62 116.55 120.52 3i7k n ASP 608 Ca 0.05 -1.93 0.00 0.00 -0.71 0.00 0.00 54.79 52.20 3i7k n ASP 608 Cb 0.29 0.04 0.00 0.00 -1.35 0.00 0.00 41.12 40.10 3i7k n ASP 608 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3i7k n GLY 609 N 1.31 0.93 3.89 6.12 0.00 -1.24 -4.04 105.19 112.16 3i7k n GLY 609 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 3i7k n GLY 609 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i7k s ALA 610 N -2.00 3.26 0.04 4.61 0.00 -1.26 -1.34 121.76 125.06 3i7k s ALA 610 Ca 0.00 -0.29 -0.06 0.00 0.00 0.00 0.00 51.96 51.61 3i7k s ALA 610 Cb 0.00 -2.82 -0.01 0.00 0.00 0.00 0.00 23.12 20.29 3i7k s ALA 610 CO 0.00 -0.48 0.11 -1.17 0.00 0.00 0.00 175.76 174.22 3i7k s LEU 611 N -4.88 1.73 0.02 0.00 0.20 -1.20 -1.51 118.68 113.03 3i7k s LEU 611 Ca 0.51 -0.49 0.03 0.00 0.69 0.00 0.00 54.13 54.87 3i7k s LEU 611 Cb -0.11 0.65 -0.01 0.00 -0.43 0.00 0.00 46.19 46.29 3i7k s LEU 611 CO 0.48 -0.50 -0.08 -0.36 -0.29 0.00 0.00 176.35 175.59 3i7k s PHE 612 N -2.51 0.72 0.07 5.38 0.40 -1.04 -2.16 117.98 118.84 3i7k s PHE 612 Ca -0.06 -0.28 0.09 0.00 -0.60 0.00 0.00 56.93 56.08 3i7k s PHE 612 Cb -0.02 -0.44 -0.03 0.00 0.51 0.00 0.00 43.02 43.04 3i7k s PHE 612 CO -0.04 -0.02 -0.23 1.52 0.70 0.00 0.00 175.22 177.14 3i7k s TYR 613 N -0.67 2.04 -0.04 0.36 -0.00 -1.26 -2.56 117.35 115.21 3i7k s TYR 613 Ca -0.02 -0.39 -0.01 0.00 -0.00 0.00 0.00 57.07 56.65 3i7k s TYR 613 Cb -0.06 -1.18 0.03 0.00 -0.00 0.00 0.00 41.96 40.75 3i7k s TYR 613 CO 0.00 0.16 0.07 -0.06 -0.00 0.00 0.00 175.55 175.72 3i7k s PHE 614 N -0.90 0.00 0.49 -3.49 0.40 -1.01 -4.13 117.98 109.34 3i7k s PHE 614 Ca 0.10 0.27 -0.18 0.00 -0.60 0.00 0.00 56.93 56.51 3i7k s PHE 614 Cb -0.10 -0.32 -0.09 0.00 0.51 0.00 0.00 43.02 43.02 3i7k s PHE 614 CO 0.03 -0.16 0.98 0.20 0.70 0.00 0.00 175.22 176.97 3i7k s GLY 615 N 1.65 2.17 -0.15 4.36 0.00 -1.26 0.39 107.32 114.47 3i7k s GLY 615 Ca -0.02 0.26 -0.29 0.00 0.00 0.00 0.00 44.72 44.67 3i7k s GLY 615 CO -0.04 0.54 0.87 -2.27 0.00 0.00 0.00 173.10 172.20 3i7k s LEU 616 N -3.80 -0.52 0.22 0.66 2.96 0.50 -3.20 118.68 115.50 3i7k s LEU 616 Ca 0.60 0.70 -0.30 0.00 -0.22 0.00 0.00 54.13 54.91 3i7k s LEU 616 Cb -0.10 2.16 -0.08 0.00 0.50 0.00 0.00 46.19 48.67 3i7k s LEU 616 CO 0.26 -0.39 1.09 0.20 -1.32 0.00 0.00 176.35 176.19 3i7k s ASN 617 N -0.76 7.28 0.00 3.68 0.01 -1.26 -3.80 114.94 120.09 3i7k s ASN 617 Ca -0.04 2.15 0.21 0.00 -0.71 0.00 0.00 52.86 54.47 3i7k s ASN 617 Cb -0.02 -2.61 1.02 0.00 0.41 0.00 0.00 41.25 40.05 3i7k s ASN 617 CO 0.03 -0.18 1.67 2.30 -1.51 0.00 0.00 177.10 179.42 3i7k n ILE 618 N 1.92 0.41 0.01 0.60 -5.35 -1.26 -3.35 119.36 112.33 3i7k n ILE 618 Ca 0.01 0.10 -0.10 0.00 -0.27 0.00 0.00 62.75 62.49 3i7k n ILE 618 Cb 0.46 -0.75 -0.08 0.00 -1.74 0.00 0.00 39.64 37.52 3i7k n ILE 618 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 3i7k h GLU 619 N 0.00 -0.12 0.00 6.28 4.39 -2.00 -3.49 114.58 119.64 3i7k h GLU 619 Ca 0.00 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.71 3i7k h GLU 619 Cb 0.24 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 3i7k h GLU 619 CO 0.00 0.39 0.00 0.25 -1.16 0.00 0.00 179.01 178.49 3i7k n THR 620 N -4.83 0.00 0.00 1.13 -2.24 -1.21 -5.15 114.28 101.98 3i7k n THR 620 Ca -0.07 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 3i7k n THR 620 Cb 0.28 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.51 3i7k n THR 620 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i7k n GLY 621 N 3.33 -1.83 3.65 3.38 0.00 -1.26 -4.81 105.19 107.65 3i7k n GLY 621 Ca 0.00 0.79 -0.35 0.00 0.00 0.00 0.00 46.02 46.47 3i7k n GLY 621 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i7k s LEU 622 N 0.00 3.56 -0.18 0.99 1.02 -1.26 -4.71 118.68 118.09 3i7k s LEU 622 Ca 0.00 0.10 -0.29 0.00 0.02 0.00 0.00 54.13 53.96 3i7k s LEU 622 Cb 0.00 -1.83 -0.03 0.00 0.02 0.00 0.00 46.19 44.35 3i7k s LEU 622 CO 0.00 0.33 1.55 -0.76 0.02 0.00 0.00 176.35 177.49 3i7k s LEU 623 N -0.60 4.03 0.00 1.79 1.43 -1.26 -4.40 118.68 119.67 3i7k s LEU 623 Ca 0.10 1.73 0.00 0.00 -1.03 0.00 0.00 54.13 54.93 3i7k s LEU 623 Cb -0.12 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.57 3i7k s LEU 623 CO 0.02 -1.10 0.00 -1.20 0.23 0.00 0.00 176.35 174.30 3i7k n SER 624 N 7.84 0.00 -4.57 2.29 7.64 -1.19 -5.02 113.62 120.60 3i7k n SER 624 Ca 0.17 0.00 -0.44 0.00 1.01 0.00 0.00 58.87 59.62 3i7k n SER 624 Cb 0.45 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.64 3i7k n SER 624 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3i7k n ASP 625 N 0.00 0.94 -3.28 6.43 9.92 -1.26 -4.83 116.55 124.47 3i7k n ASP 625 Ca 0.00 1.12 -0.07 0.00 -0.53 0.00 0.00 54.79 55.31 3i7k n ASP 625 Cb 0.00 -1.27 -0.05 0.00 -0.64 0.00 0.00 41.12 39.16 3i7k n ASP 625 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 3i7k s ARG 626 N -1.63 0.49 -0.06 -1.24 3.00 -1.26 -4.13 118.95 114.11 3i7k s ARG 626 Ca 0.60 0.07 -0.01 0.00 -1.00 0.00 0.00 55.73 55.39 3i7k s ARG 626 Cb -0.67 -0.23 0.03 0.00 0.00 0.00 0.00 34.95 34.08 3i7k s ARG 626 CO 0.59 -1.07 -0.01 0.15 0.00 0.00 0.00 175.30 174.96 3i7k s LYS 627 N 2.43 0.62 -0.70 5.12 1.02 -1.26 -5.04 119.74 121.94 3i7k s LYS 627 Ca 0.11 0.06 -0.26 0.00 0.02 0.00 0.00 55.97 55.90 3i7k s LYS 627 Cb -0.12 -0.88 -0.09 0.00 -0.52 0.00 0.00 37.83 36.22 3i7k s LYS 627 CO -0.25 -0.23 2.28 0.21 -0.92 0.00 0.00 175.35 176.43 3i7k s LYS 628 N 1.61 2.01 -0.45 1.68 2.20 -1.26 -4.59 119.74 120.94 3i7k s LYS 628 Ca -0.01 0.66 -0.13 0.00 -0.36 0.00 0.00 55.97 56.14 3i7k s LYS 628 Cb -0.13 -4.72 0.08 0.00 -1.51 0.00 0.00 37.83 31.55 3i7k s LYS 628 CO -0.04 -3.75 0.34 0.14 -0.36 0.00 0.00 175.35 171.69 3i7k s VAL 629 N 12.67 4.76 0.45 4.02 -7.23 -0.92 -4.93 120.40 129.22 3i7k s VAL 629 Ca 0.88 -1.26 -0.21 0.00 -1.81 0.00 0.00 61.98 59.58 3i7k s VAL 629 Cb -0.13 -3.89 -0.10 0.00 0.56 0.00 0.00 36.38 32.82 3i7k s VAL 629 CO 0.14 -0.57 1.00 0.42 -0.31 0.00 0.00 175.10 175.77 3i7k s THR 630 N 1.53 4.05 0.00 5.32 -4.23 -1.26 -3.27 115.64 117.78 3i7k s THR 630 Ca 0.04 1.32 0.00 0.00 -1.18 0.00 0.00 61.69 61.87 3i7k s THR 630 Cb -0.24 -3.56 0.00 0.00 1.34 0.00 0.00 72.50 70.04 3i7k s THR 630 CO 0.04 -0.23 0.00 0.18 -0.54 0.00 0.00 174.62 174.07 3i7k n LEU 631 N -0.68 0.00 0.00 4.79 4.77 -0.45 -4.95 117.00 120.48 3i7k n LEU 631 Ca 0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 3i7k n LEU 631 Cb 0.53 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 3i7k n LEU 631 CO 0.39 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 3i7k n GLY 632 N 4.96 -0.33 0.00 -0.72 0.00 -1.25 -4.91 105.19 102.94 3i7k n GLY 632 Ca 0.00 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.53 3i7k n GLY 632 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3i7k n THR 633 N -0.06 0.00 -3.06 2.61 -2.24 -1.26 -4.31 114.28 105.96 3i7k n THR 633 Ca 0.00 -0.50 -0.38 0.00 -2.27 0.00 0.00 64.05 60.90 3i7k n THR 633 Cb 0.00 1.00 -0.06 0.00 -2.10 0.00 0.00 70.33 69.17 3i7k n THR 633 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3i7k s GLN 634 N -0.87 4.41 -0.10 -0.78 -1.52 -1.26 -3.87 119.66 115.68 3i7k s GLN 634 Ca 0.00 1.00 -0.36 0.00 -1.95 0.00 0.00 55.36 54.05 3i7k s GLN 634 Cb 0.00 -3.14 -0.14 0.00 -0.22 0.00 0.00 33.01 29.51 3i7k s GLN 634 CO 0.00 0.53 1.76 -0.35 -0.25 0.00 0.00 175.29 176.98 3i7k n PRO 635 N 1.35 1.79 -2.65 2.91 -0.04 -1.08 -3.66 135.00 133.62 3i7k n PRO 635 Ca -0.05 0.66 -0.39 0.00 -0.04 0.00 0.00 63.50 63.68 3i7k n PRO 635 Cb 0.50 -2.43 -0.05 0.00 -0.04 0.00 0.00 33.50 31.48 3i7k n PRO 635 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 3i7k s THR 636 N 3.21 3.90 -0.11 0.52 2.01 -1.22 -4.78 115.64 119.18 3i7k s THR 636 Ca 0.92 1.73 0.03 0.00 0.31 0.00 0.00 61.69 64.68 3i7k s THR 636 Cb -0.82 -4.03 0.00 0.00 0.01 0.00 0.00 72.50 67.66 3i7k s THR 636 CO 0.54 0.27 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.82 3i7k s VAL 637 N -1.39 2.11 -0.07 3.82 1.01 -0.30 -4.03 120.40 121.57 3i7k s VAL 637 Ca 0.47 -0.99 -0.04 0.00 0.00 0.00 0.00 61.98 61.43 3i7k s VAL 637 Cb -0.25 -1.82 -0.04 0.00 0.00 0.00 0.00 36.38 34.28 3i7k s VAL 637 CO 0.31 0.56 0.11 -0.76 0.00 0.00 0.00 175.10 175.32 3i7k s LEU 638 N 0.45 4.13 0.19 3.92 1.02 -1.26 -0.10 118.68 127.02 3i7k s LEU 638 Ca -0.16 0.31 -0.04 0.00 0.02 0.00 0.00 54.13 54.27 3i7k s LEU 638 Cb -0.17 -2.18 -0.03 0.00 0.02 0.00 0.00 46.19 43.83 3i7k s LEU 638 CO 0.06 0.34 0.19 -0.60 0.02 0.00 0.00 176.35 176.37 3i7k s ARG 639 N -1.34 1.19 -0.03 1.70 6.06 -1.13 -5.01 118.95 120.39 3i7k s ARG 639 Ca 0.19 -1.47 0.07 0.00 -2.50 0.00 0.00 55.73 52.01 3i7k s ARG 639 Cb -0.12 0.31 -0.02 0.00 0.06 0.00 0.00 34.95 35.18 3i7k s ARG 639 CO 0.09 -0.41 -0.23 0.99 -2.50 0.00 0.00 175.30 173.24 3i7k s THR 640 N -4.09 2.34 -0.00 4.11 2.01 -1.26 -2.82 115.64 115.92 3i7k s THR 640 Ca 0.30 -1.00 -0.07 0.00 0.31 0.00 0.00 61.69 61.24 3i7k s THR 640 Cb 0.05 -1.84 0.00 0.00 0.01 0.00 0.00 72.50 70.72 3i7k s THR 640 CO 0.08 0.58 0.13 0.72 -0.69 0.00 0.00 174.62 175.44 3i7k s PHE 641 N -0.58 0.04 0.03 4.92 -0.12 -0.66 -4.48 117.98 117.13 3i7k s PHE 641 Ca 0.09 -0.12 -0.24 0.00 -0.05 0.00 0.00 56.93 56.60 3i7k s PHE 641 Cb -0.11 -0.05 -0.05 0.00 -0.63 0.00 0.00 43.02 42.18 3i7k s PHE 641 CO -0.00 -0.26 0.75 0.50 -0.05 0.00 0.00 175.22 176.15 3i7k s ARG 642 N -1.27 4.47 0.00 1.99 3.52 -1.26 -1.75 118.95 124.65 3i7k s ARG 642 Ca -0.14 1.02 0.00 0.00 -0.13 0.00 0.00 55.73 56.49 3i7k s ARG 642 Cb -0.07 -3.37 0.00 0.00 -1.56 0.00 0.00 34.95 29.95 3i7k s ARG 642 CO 0.01 0.27 0.00 -1.13 -0.81 0.00 0.00 175.30 173.64 3i7k n SER 643 N 2.89 0.00 0.00 -2.12 3.41 -1.26 -4.92 113.62 111.62 3i7k n SER 643 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 3i7k n SER 643 Cb 0.50 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 3i7k n SER 643 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i7k n LEU 644 N 0.00 0.00 0.00 1.04 -0.00 -1.26 -4.98 117.00 111.80 3i7k n LEU 644 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 56.01 56.01 3i7k n LEU 644 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 43.42 43.42 3i7k n LEU 644 CO 0.00 0.00 0.24 0.77 -0.00 0.00 0.00 177.39 178.40 3i7k h SER 645 N 0.00 -0.00 -3.67 1.45 4.64 -2.03 -3.44 113.55 110.50 3i7k h SER 645 Ca 0.00 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.81 3i7k h SER 645 Cb 0.00 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.11 3i7k h SER 645 CO 0.00 -0.00 0.54 0.42 -0.87 0.00 0.00 176.83 176.91 3i7k s THR 646 N -1.96 3.42 -0.14 2.95 -4.23 -1.26 -5.04 115.64 109.37 3i7k s THR 646 Ca -0.00 1.31 -0.03 0.00 -1.18 0.00 0.00 61.69 61.79 3i7k s THR 646 Cb 0.00 -3.83 -0.03 0.00 1.34 0.00 0.00 72.50 69.98 3i7k s THR 646 CO 0.00 0.27 -0.03 0.42 -0.54 0.00 0.00 174.62 174.73 3i7k s THR 647 N -0.65 3.94 0.00 3.99 -4.23 -1.26 -4.41 115.64 113.01 3i7k s THR 647 Ca 0.49 -0.35 0.00 0.00 -1.18 0.00 0.00 61.69 60.65 3i7k s THR 647 Cb -0.33 -2.71 0.00 0.00 1.34 0.00 0.00 72.50 70.79 3i7k s THR 647 CO 0.41 0.51 0.00 0.59 -0.54 0.00 0.00 174.62 175.59 3i7k n ASN 648 N 3.31 1.52 -4.15 3.99 3.02 -0.72 -4.85 115.26 117.38 3i7k n ASN 648 Ca -0.17 -0.56 -0.31 0.00 -0.03 0.00 0.00 54.58 53.51 3i7k n ASN 648 Cb 0.53 0.00 -0.17 0.00 -0.61 0.00 0.00 39.78 39.53 3i7k n ASN 648 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3i7k s VAL 649 N 0.26 1.89 -0.33 2.41 1.01 -1.14 -1.65 120.40 122.85 3i7k s VAL 649 Ca 0.00 -0.89 -0.05 0.00 0.00 0.00 0.00 61.98 61.04 3i7k s VAL 649 Cb 0.00 -1.67 0.04 0.00 0.00 0.00 0.00 36.38 34.75 3i7k s VAL 649 CO 0.00 0.52 0.08 0.12 0.00 0.00 0.00 175.10 175.82 3i7k s PHE 650 N 0.74 3.26 -0.45 5.22 5.36 -1.13 0.61 117.98 131.59 3i7k s PHE 650 Ca -0.10 -1.53 -0.27 0.00 -0.96 0.00 0.00 56.93 54.07 3i7k s PHE 650 Cb -0.16 -2.26 0.03 0.00 -0.34 0.00 0.00 43.02 40.29 3i7k s PHE 650 CO 0.01 -0.75 1.02 0.00 -1.46 0.00 0.00 175.22 174.04 3i7k s ALA 651 N 1.37 3.23 0.09 11.12 0.00 -0.35 -2.84 121.76 134.38 3i7k s ALA 651 Ca -0.02 -0.59 -0.25 0.00 0.00 0.00 0.00 51.96 51.09 3i7k s ALA 651 Cb -0.20 -3.73 -0.06 0.00 0.00 0.00 0.00 23.12 19.13 3i7k s ALA 651 CO 0.02 -2.06 0.78 0.00 0.00 0.00 0.00 175.76 174.50 3i7k n SER 653 N 2.38 -1.34 0.06 0.00 2.88 -0.21 -1.15 113.62 116.25 3i7k n SER 653 Ca -0.03 -1.48 0.11 0.00 -1.33 0.00 0.00 58.87 56.14 3i7k n SER 653 Cb 0.50 2.12 0.45 0.00 -0.75 0.00 0.00 64.21 66.53 3i7k n SER 653 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 3i7k n ASP 654 N -1.12 0.39 -3.56 -3.46 5.75 -1.26 -1.99 116.55 111.30 3i7k n ASP 654 Ca 0.02 0.57 -0.27 0.00 -0.01 0.00 0.00 54.79 55.09 3i7k n ASP 654 Cb 0.55 -0.66 -0.09 0.00 -1.03 0.00 0.00 41.12 39.88 3i7k n ASP 654 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 3i7k n ARG 655 N -1.90 2.10 -1.44 0.11 0.63 -1.26 -4.63 116.66 110.27 3i7k n ARG 655 Ca 0.04 -4.46 -0.58 0.00 -0.92 0.00 0.00 57.85 51.93 3i7k n ARG 655 Cb 0.28 -2.17 -0.09 0.00 0.45 0.00 0.00 32.46 30.92 3i7k n ARG 655 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 3i7k n PRO 656 N 1.31 0.51 -4.36 -0.14 -0.02 -1.25 -4.45 135.00 126.60 3i7k n PRO 656 Ca 0.26 0.16 -0.27 0.00 -2.02 0.00 0.00 63.50 61.63 3i7k n PRO 656 Cb 0.40 -1.89 -0.13 0.00 -0.02 0.00 0.00 33.50 31.86 3i7k n PRO 656 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3i7k s THR 657 N 5.70 2.08 -0.04 3.45 2.01 -0.99 -0.08 115.64 127.77 3i7k s THR 657 Ca 1.12 -1.74 0.06 0.00 0.31 0.00 0.00 61.69 61.43 3i7k s THR 657 Cb -1.23 -1.87 -0.01 0.00 0.01 0.00 0.00 72.50 69.39 3i7k s THR 657 CO 0.62 -0.01 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.64 3i7k s VAL 658 N -1.24 1.72 -0.35 3.82 1.01 -0.97 -1.22 120.40 123.17 3i7k s VAL 658 Ca 0.13 -0.89 -0.07 0.00 0.00 0.00 0.00 61.98 61.14 3i7k s VAL 658 Cb -0.09 -1.45 0.05 0.00 0.00 0.00 0.00 36.38 34.88 3i7k s VAL 658 CO 0.06 0.49 0.13 -0.63 0.00 0.00 0.00 175.10 175.15 3i7k s ILE 659 N -0.20 3.85 0.00 2.22 1.01 0.20 -3.18 121.20 125.10 3i7k s ILE 659 Ca 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 60.65 59.47 3i7k s ILE 659 Cb -0.11 -3.21 0.00 0.00 0.01 0.00 0.00 42.46 39.14 3i7k s ILE 659 CO 0.02 -0.23 0.00 -1.22 0.00 0.00 0.00 174.94 173.50 3i7k n TYR 660 N 4.82 0.00 -3.70 3.97 4.02 -0.96 -2.86 117.16 122.44 3i7k n TYR 660 Ca -0.12 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.63 3i7k n TYR 660 Cb 0.44 0.00 -0.14 0.00 -0.02 0.00 0.00 39.34 39.62 3i7k n TYR 660 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 3i7k s SER 661 N -0.47 0.15 0.00 7.72 0.01 -1.26 -2.78 113.70 117.07 3i7k s SER 661 Ca 0.00 0.44 0.00 0.00 1.31 0.00 0.00 55.95 57.70 3i7k s SER 661 Cb 0.00 0.38 0.00 0.00 0.21 0.00 0.00 66.02 66.61 3i7k s SER 661 CO 0.00 -0.20 0.00 -0.24 0.41 0.00 0.00 173.24 173.21 3i7k n SER 662 N 4.72 0.00 -0.38 2.44 2.88 0.27 -4.73 113.62 118.82 3i7k n SER 662 Ca -0.17 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.30 3i7k n SER 662 Cb 0.51 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.92 3i7k n SER 662 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 3i7k n ASN 663 N 0.00 -0.87 -0.39 -3.46 5.15 -1.26 -4.27 115.26 110.16 3i7k n ASN 663 Ca 0.00 1.64 0.00 0.00 -0.60 0.00 0.00 54.58 55.62 3i7k n ASN 663 Cb 0.00 -0.26 0.00 0.00 -0.53 0.00 0.00 39.78 38.99 3i7k n ASN 663 CO 0.00 0.00 0.00 1.57 1.40 0.00 0.00 177.26 180.23 3i7k n HIS 664 N -5.22 0.00 -2.41 1.20 -0.00 -1.26 -4.98 115.22 102.54 3i7k n HIS 664 Ca 0.04 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.64 3i7k n HIS 664 Cb 0.28 0.23 0.06 0.00 -0.00 0.00 0.00 29.99 30.56 3i7k n HIS 664 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.34 177.51 3i7k n LYS 665 N 0.00 0.21 -4.78 1.57 4.81 -1.26 -5.02 118.16 113.69 3i7k n LYS 665 Ca 0.00 -1.42 -0.33 0.00 -0.87 0.00 0.00 58.31 55.69 3i7k n LYS 665 Cb 0.47 -0.36 -0.15 0.00 0.02 0.00 0.00 35.03 35.01 3i7k n LYS 665 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 3i7k s LEU 666 N 0.00 2.45 0.21 3.14 1.43 -1.26 0.96 118.68 125.61 3i7k s LEU 666 Ca 0.35 -0.45 -0.30 0.00 -1.03 0.00 0.00 54.13 52.70 3i7k s LEU 666 Cb -0.02 -1.54 -0.08 0.00 0.03 0.00 0.00 46.19 44.58 3i7k s LEU 666 CO 0.23 0.13 0.95 -0.69 0.23 0.00 0.00 176.35 177.20 3i7k s VAL 667 N 0.55 4.17 -0.38 -1.59 1.01 -1.12 -4.75 120.40 118.30 3i7k s VAL 667 Ca -0.10 2.08 -0.02 0.00 0.00 0.00 0.00 61.98 63.94 3i7k s VAL 667 Cb -0.16 -4.33 0.10 0.00 0.00 0.00 0.00 36.38 31.99 3i7k s VAL 667 CO 0.04 0.45 0.14 -0.36 0.00 0.00 0.00 175.10 175.38 3i7k s PHE 668 N -0.88 3.54 0.02 5.22 0.40 -1.26 -2.28 117.98 122.74 3i7k s PHE 668 Ca 0.43 -2.35 0.08 0.00 -0.60 0.00 0.00 56.93 54.48 3i7k s PHE 668 Cb -0.25 -2.95 -0.02 0.00 0.51 0.00 0.00 43.02 40.30 3i7k s PHE 668 CO 0.32 -0.93 -0.23 -1.12 0.70 0.00 0.00 175.22 173.96 3i7k s SER 669 N 1.60 2.71 0.36 1.36 0.01 -1.19 -4.91 113.70 113.64 3i7k s SER 669 Ca 0.06 -0.50 -0.28 0.00 1.31 0.00 0.00 55.95 56.54 3i7k s SER 669 Cb -0.22 -0.26 -0.11 0.00 0.21 0.00 0.00 66.02 65.64 3i7k s SER 669 CO -0.04 0.23 1.48 0.59 0.41 0.00 0.00 173.24 175.91 3i7k n ASN 670 N 2.07 3.70 -4.83 2.44 3.02 -1.26 -2.30 115.26 118.10 3i7k n ASN 670 Ca -0.16 1.21 -0.38 0.00 -0.03 0.00 0.00 54.58 55.22 3i7k n ASN 670 Cb 0.53 -1.60 -0.06 0.00 -0.61 0.00 0.00 39.78 38.03 3i7k n ASN 670 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3i7k s VAL 671 N -0.94 4.88 -1.35 2.41 1.01 0.88 -0.38 120.40 126.92 3i7k s VAL 671 Ca 0.55 0.99 -0.09 0.00 0.00 0.00 0.00 61.98 63.43 3i7k s VAL 671 Cb -0.49 -3.80 0.11 0.00 0.00 0.00 0.00 36.38 32.21 3i7k s VAL 671 CO 0.61 0.52 2.13 0.59 0.00 0.00 0.00 175.10 178.95 3i7k n ASN 672 N 1.62 5.79 -4.20 3.32 3.02 0.25 -4.67 115.26 120.39 3i7k n ASN 672 Ca -0.11 -3.03 -0.12 0.00 -0.03 0.00 0.00 54.58 51.29 3i7k n ASN 672 Cb 0.52 -1.49 -0.10 0.00 -0.61 0.00 0.00 39.78 38.09 3i7k n ASN 672 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3i7k s LEU 673 N -0.13 1.36 -0.02 3.41 1.43 -1.26 -4.79 118.68 118.68 3i7k s LEU 673 Ca 0.46 -1.34 -0.12 0.00 -1.03 0.00 0.00 54.13 52.10 3i7k s LEU 673 Cb 0.13 0.32 -0.07 0.00 0.03 0.00 0.00 46.19 46.60 3i7k s LEU 673 CO -0.04 -0.80 0.65 0.50 0.23 0.00 0.00 176.35 176.90 3i7k h LYS 674 N 2.66 -0.43 -1.61 1.70 1.63 -1.93 -3.45 116.57 115.15 3i7k h LYS 674 Ca -0.36 0.03 0.10 0.00 -0.85 0.00 0.00 60.65 59.57 3i7k h LYS 674 Cb 1.24 0.10 -0.25 0.00 -0.60 0.00 0.00 32.23 32.71 3i7k h LYS 674 CO 0.55 -0.28 0.27 -2.00 -3.45 0.00 0.00 179.45 174.53 3i7k s GLU 675 N -3.10 0.45 -0.09 1.90 2.12 -1.26 -4.77 118.70 113.95 3i7k s GLU 675 Ca -0.06 0.83 -0.02 0.00 0.36 0.00 0.00 54.97 56.07 3i7k s GLU 675 Cb 0.01 0.16 -0.03 0.00 0.26 0.00 0.00 34.13 34.52 3i7k s GLU 675 CO 0.19 -0.10 -0.00 0.08 -0.54 0.00 0.00 175.26 174.89 3i7k s VAL 676 N 1.58 4.27 -0.16 3.70 1.01 -0.84 -4.44 120.40 125.52 3i7k s VAL 676 Ca -0.09 -0.26 -0.00 0.00 0.00 0.00 0.00 61.98 61.63 3i7k s VAL 676 Cb -0.05 -2.80 -0.10 0.00 0.00 0.00 0.00 36.38 33.44 3i7k s VAL 676 CO -0.16 0.59 -0.15 0.59 0.00 0.00 0.00 175.10 175.97 3i7k n ASN 677 N 2.27 2.56 -3.90 3.32 3.02 -0.36 -1.04 115.26 121.14 3i7k n ASN 677 Ca -0.18 -0.05 -0.10 0.00 -0.03 0.00 0.00 54.58 54.22 3i7k n ASN 677 Cb 0.53 -0.28 -0.10 0.00 -0.61 0.00 0.00 39.78 39.33 3i7k n ASN 677 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3i7k s TYR 678 N -2.31 0.11 -0.20 3.10 1.51 -1.21 -4.78 117.35 113.56 3i7k s TYR 678 Ca -0.21 -0.29 -0.12 0.00 -1.01 0.00 0.00 57.07 55.44 3i7k s TYR 678 Cb 0.06 -0.09 0.06 0.00 -0.11 0.00 0.00 41.96 41.89 3i7k s TYR 678 CO 0.35 -0.32 0.50 1.41 -1.11 0.00 0.00 175.55 176.38 3i7k s MET 679 N -1.86 0.50 0.11 -0.62 -2.45 -1.26 -1.57 119.30 112.15 3i7k s MET 679 Ca -0.11 0.91 0.08 0.00 -1.25 0.00 0.00 55.69 55.32 3i7k s MET 679 Cb -0.05 0.05 -0.04 0.00 1.25 0.00 0.00 34.83 36.04 3i7k s MET 679 CO -0.01 -0.15 -0.20 0.00 1.05 0.00 0.00 175.02 175.71 3i7k n PRO 681 N 0.99 -1.38 -2.20 0.00 -0.02 -1.26 -0.14 135.00 130.99 3i7k n PRO 681 Ca -0.19 -0.51 -0.01 0.00 -2.02 0.00 0.00 63.50 60.78 3i7k n PRO 681 Cb 0.54 -0.45 0.01 0.00 -0.02 0.00 0.00 33.50 33.58 3i7k n PRO 681 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3i7k n LEU 682 N 0.00 0.00 -0.71 2.45 7.94 -0.31 -4.59 117.00 121.78 3i7k n LEU 682 Ca 0.04 -0.36 -0.02 0.00 -1.11 0.00 0.00 56.01 54.57 3i7k n LEU 682 Cb 0.17 0.75 -0.02 0.00 0.53 0.00 0.00 43.42 44.85 3i7k n LEU 682 CO 0.12 -0.12 0.11 -3.20 -1.11 0.00 0.00 177.39 173.19 3i7k n ASN 683 N -0.71 -0.28 -4.34 1.96 2.85 -1.26 -4.11 115.26 109.36 3i7k n ASN 683 Ca -0.00 -0.59 -0.34 0.00 -0.11 0.00 0.00 54.58 53.53 3i7k n ASN 683 Cb 0.17 0.09 0.09 0.00 1.24 0.00 0.00 39.78 41.37 3i7k n ASN 683 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 3i7k n SER 684 N -0.03 -2.70 0.10 1.20 2.88 -1.06 -4.00 113.62 110.02 3i7k n SER 684 Ca -0.07 0.36 0.11 0.00 -1.33 0.00 0.00 58.87 57.93 3i7k n SER 684 Cb 0.39 -1.12 0.45 0.00 -0.75 0.00 0.00 64.21 63.18 3i7k n SER 684 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 3i7k n ASP 685 N -0.13 0.51 0.00 -3.46 5.75 -1.18 -3.21 116.55 114.82 3i7k n ASP 685 Ca 0.06 0.63 0.00 0.00 -0.01 0.00 0.00 54.79 55.47 3i7k n ASP 685 Cb 0.53 -0.74 0.00 0.00 -1.03 0.00 0.00 41.12 39.89 3i7k n ASP 685 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3i7k n GLY 686 N -0.05 0.44 2.33 6.12 0.00 -1.23 -4.88 105.19 107.93 3i7k n GLY 686 Ca 0.02 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.85 3i7k n GLY 686 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3i7k n TYR 687 N -0.09 -1.11 -0.98 1.61 4.01 -1.22 -4.61 117.16 114.76 3i7k n TYR 687 Ca 0.00 -3.11 -0.30 0.00 -0.16 0.00 0.00 57.90 54.33 3i7k n TYR 687 Cb 0.12 0.14 0.24 0.00 -0.31 0.00 0.00 39.34 39.53 3i7k n TYR 687 CO 0.00 0.00 0.00 -2.14 -0.46 0.00 0.00 176.86 174.26 3i7k s PRO 688 N -0.74 -1.28 0.00 -0.72 0.02 -1.20 -2.55 135.00 128.54 3i7k s PRO 688 Ca 0.34 0.04 0.00 0.00 0.02 0.00 0.00 61.00 61.41 3i7k s PRO 688 Cb 0.19 -1.58 0.00 0.00 0.02 0.00 0.00 34.50 33.13 3i7k s PRO 688 CO -0.14 -3.77 0.00 -3.47 -0.33 0.00 0.00 177.00 169.29 3i7k n ASP 689 N -4.82 0.00 -3.54 2.53 4.64 -1.26 -4.78 116.55 109.31 3i7k n ASP 689 Ca 0.12 0.00 -0.19 0.00 -1.38 0.00 0.00 54.79 53.34 3i7k n ASP 689 Cb 0.59 0.00 -0.08 0.00 -1.04 0.00 0.00 41.12 40.59 3i7k n ASP 689 CO 0.00 0.00 0.00 -0.55 -0.82 0.00 0.00 177.20 175.83 3i7k s SER 690 N 0.00 1.52 0.01 1.67 0.15 -1.26 -4.73 113.70 111.06 3i7k s SER 690 Ca 0.00 -1.70 0.01 0.00 0.70 0.00 0.00 55.95 54.97 3i7k s SER 690 Cb 0.00 0.52 -0.01 0.00 -1.71 0.00 0.00 66.02 64.82 3i7k s SER 690 CO 0.00 -1.02 -0.05 -0.76 1.20 0.00 0.00 173.24 172.61 3i7k s LEU 691 N -3.36 2.10 -0.08 3.45 1.43 -1.09 -1.16 118.68 119.98 3i7k s LEU 691 Ca 0.39 -0.26 -0.00 0.00 -1.03 0.00 0.00 54.13 53.24 3i7k s LEU 691 Cb 0.03 -0.17 -0.03 0.00 0.03 0.00 0.00 46.19 46.06 3i7k s LEU 691 CO 0.24 -0.06 -0.06 0.00 0.23 0.00 0.00 176.35 176.71 3i7k s ALA 692 N -0.61 3.01 -0.04 4.21 0.00 0.80 -2.41 121.76 126.72 3i7k s ALA 692 Ca -0.04 -0.87 -0.02 0.00 0.00 0.00 0.00 51.96 51.04 3i7k s ALA 692 Cb -0.05 -1.31 0.02 0.00 0.00 0.00 0.00 23.12 21.79 3i7k s ALA 692 CO -0.00 0.51 0.09 -0.51 0.00 0.00 0.00 175.76 175.85 3i7k s LEU 693 N -0.61 1.20 -0.05 0.00 1.02 0.29 -1.27 118.68 119.26 3i7k s LEU 693 Ca 0.09 0.17 0.04 0.00 0.02 0.00 0.00 54.13 54.45 3i7k s LEU 693 Cb -0.12 0.21 0.00 0.00 0.02 0.00 0.00 46.19 46.30 3i7k s LEU 693 CO 0.02 -0.10 -0.16 0.00 0.02 0.00 0.00 176.35 176.13 3i7k s ALA 694 N 0.70 1.49 0.14 4.21 0.00 -0.61 -0.26 121.76 127.44 3i7k s ALA 694 Ca -0.06 -0.63 0.01 0.00 0.00 0.00 0.00 51.96 51.29 3i7k s ALA 694 Cb -0.08 -0.54 0.01 0.00 0.00 0.00 0.00 23.12 22.52 3i7k s ALA 694 CO -0.03 0.23 0.12 0.27 0.00 0.00 0.00 175.76 176.35 3i7k n ASN 695 N 3.36 1.34 -0.17 0.00 6.94 -0.67 -1.22 115.26 124.84 3i7k n ASN 695 Ca -0.19 -1.47 0.14 0.00 -0.02 0.00 0.00 54.58 53.03 3i7k n ASN 695 Cb 0.53 -0.02 0.26 0.00 -2.36 0.00 0.00 39.78 38.18 3i7k n ASN 695 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 3i7k n ASN 696 N -2.06 0.11 -1.41 0.53 4.13 -1.26 -3.50 115.26 111.79 3i7k n ASN 696 Ca -0.00 0.86 -0.05 0.00 1.68 0.00 0.00 54.58 57.07 3i7k n ASN 696 Cb 0.16 -0.39 -0.02 0.00 -1.54 0.00 0.00 39.78 37.99 3i7k n ASN 696 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 3i7k n SER 697 N -4.30 -0.79 -3.76 6.41 3.41 -1.26 -1.94 113.62 111.39 3i7k n SER 697 Ca 0.17 -2.04 -0.13 0.00 -0.26 0.00 0.00 58.87 56.61 3i7k n SER 697 Cb 0.58 0.28 -0.11 0.00 -0.26 0.00 0.00 64.21 64.70 3i7k n SER 697 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3i7k s THR 698 N -0.09 0.00 -0.11 6.66 2.01 -1.23 -2.83 115.64 120.06 3i7k s THR 698 Ca 0.06 -0.01 -0.03 0.00 0.31 0.00 0.00 61.69 62.02 3i7k s THR 698 Cb 0.13 -0.46 -0.03 0.00 0.01 0.00 0.00 72.50 72.14 3i7k s THR 698 CO -0.04 -0.00 0.02 -0.22 -0.69 0.00 0.00 174.62 173.68 3i7k s LEU 699 N 0.15 3.65 0.09 4.42 0.20 0.65 -1.67 118.68 126.17 3i7k s LEU 699 Ca -0.00 0.14 -0.01 0.00 0.69 0.00 0.00 54.13 54.95 3i7k s LEU 699 Cb -0.02 -1.86 -0.04 0.00 -0.43 0.00 0.00 46.19 43.84 3i7k s LEU 699 CO 0.01 0.33 0.02 -0.89 -0.29 0.00 0.00 176.35 175.53 3i7k s THR 700 N -0.61 0.15 -0.26 3.68 2.01 0.64 -2.27 115.64 118.98 3i7k s THR 700 Ca 0.10 -1.86 -0.15 0.00 0.31 0.00 0.00 61.69 60.10 3i7k s THR 700 Cb -0.12 -1.81 0.08 0.00 0.01 0.00 0.00 72.50 70.66 3i7k s THR 700 CO 0.02 -0.70 0.64 0.27 -0.69 0.00 0.00 174.62 174.16 3i7k s ILE 701 N -3.99 -0.00 0.00 1.82 -0.00 -1.18 -0.54 121.20 117.30 3i7k s ILE 701 Ca 0.16 0.02 0.00 0.00 -0.00 0.00 0.00 60.65 60.83 3i7k s ILE 701 Cb 0.08 -0.93 0.00 0.00 -0.00 0.00 0.00 42.46 41.61 3i7k s ILE 701 CO -0.04 0.01 0.00 0.61 -0.00 0.00 0.00 174.94 175.52 3i7k n GLY 702 N 4.30 1.79 3.86 6.27 0.00 -1.01 -2.36 105.19 118.04 3i7k n GLY 702 Ca -0.21 -0.58 -0.21 0.00 0.00 0.00 0.00 46.02 45.02 3i7k n GLY 702 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3i7k s THR 703 N -2.07 4.10 -0.00 2.61 -4.23 -1.21 -2.66 115.64 112.19 3i7k s THR 703 Ca 0.00 -1.31 0.06 0.00 -1.18 0.00 0.00 61.69 59.25 3i7k s THR 703 Cb 0.00 -3.35 -0.03 0.00 1.34 0.00 0.00 72.50 70.46 3i7k s THR 703 CO 0.00 -0.26 -0.17 -0.51 -0.54 0.00 0.00 174.62 173.15 3i7k s ILE 704 N -2.20 2.87 0.19 2.99 -1.16 -1.26 -2.78 121.20 119.85 3i7k s ILE 704 Ca 0.37 -0.98 -0.03 0.00 -0.51 0.00 0.00 60.65 59.50 3i7k s ILE 704 Cb -0.07 -2.16 0.05 0.00 0.61 0.00 0.00 42.46 40.88 3i7k s ILE 704 CO 0.27 0.46 0.19 0.47 -2.81 0.00 0.00 174.94 173.52 3i7k n ASP 705 N 1.92 -0.74 0.00 4.50 8.00 -0.60 -5.02 116.55 124.61 3i7k n ASP 705 Ca -0.16 -0.78 0.00 0.00 0.71 0.00 0.00 54.79 54.55 3i7k n ASP 705 Cb 0.52 -0.17 0.00 0.00 -0.02 0.00 0.00 41.12 41.45 3i7k n ASP 705 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 3i7k n GLU 706 N -1.83 0.00 0.00 -1.24 4.07 -1.26 -4.95 120.64 115.42 3i7k n GLU 706 Ca 0.03 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.13 3i7k n GLU 706 Cb 0.10 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.48 3i7k n GLU 706 CO 0.00 0.00 0.00 -0.89 -0.06 0.00 0.00 177.13 176.18 3i7k n ILE 707 N 0.00 0.00 -1.09 6.31 5.41 -1.26 -5.09 119.36 123.64 3i7k n ILE 707 Ca 0.00 0.00 -0.30 0.00 1.00 0.00 0.00 62.75 63.45 3i7k n ILE 707 Cb 0.00 0.00 0.23 0.00 -0.71 0.00 0.00 39.64 39.16 3i7k n ILE 707 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3i7k s GLN 708 N -0.98 -0.95 0.08 0.38 -2.07 -1.26 -4.91 119.66 109.96 3i7k s GLN 708 Ca 0.00 0.04 0.01 0.00 -1.82 0.00 0.00 55.36 53.59 3i7k s GLN 708 Cb 0.00 -1.62 -0.25 0.00 -1.09 0.00 0.00 33.01 30.05 3i7k s GLN 708 CO 0.00 -3.55 1.16 -0.22 -1.32 0.00 0.00 175.29 171.36 3i7k h LYS 709 N -2.47 0.15 -5.24 9.60 3.64 -1.91 -3.43 116.57 116.92 3i7k h LYS 709 Ca -0.47 -0.26 -0.66 0.00 -1.27 0.00 0.00 60.65 57.98 3i7k h LYS 709 Cb 1.30 0.10 -0.29 0.00 -0.41 0.00 0.00 32.23 32.93 3i7k h LYS 709 CO 0.39 1.10 -0.80 -0.51 -2.27 0.00 0.00 179.45 177.37 3i7k s LEU 710 N -6.93 2.53 -0.12 5.20 1.43 -1.26 -1.41 118.68 118.11 3i7k s LEU 710 Ca -0.02 -0.43 -0.13 0.00 -1.03 0.00 0.00 54.13 52.51 3i7k s LEU 710 Cb 0.08 -1.57 -0.05 0.00 0.03 0.00 0.00 46.19 44.69 3i7k s LEU 710 CO 0.85 0.12 0.31 -2.28 0.23 0.00 0.00 176.35 175.58 3i7k s HIS 711 N 0.63 3.53 -0.21 0.29 5.65 0.50 -4.94 115.29 120.74 3i7k s HIS 711 Ca -0.08 0.68 0.01 0.00 0.25 0.00 0.00 55.06 55.91 3i7k s HIS 711 Cb -0.16 -2.30 0.05 0.00 -1.18 0.00 0.00 32.58 29.00 3i7k s HIS 711 CO 0.03 0.37 -0.09 0.42 -0.65 0.00 0.00 174.74 174.81 3i7k s ILE 712 N 0.01 1.67 0.13 0.89 1.01 -1.26 0.19 121.20 123.83 3i7k s ILE 712 Ca 0.18 -1.11 -0.28 0.00 0.00 0.00 0.00 60.65 59.43 3i7k s ILE 712 Cb -0.14 -1.79 -0.07 0.00 0.01 0.00 0.00 42.46 40.48 3i7k s ILE 712 CO 0.06 0.09 0.89 -0.60 0.00 0.00 0.00 174.94 175.38 3i7k s ARG 713 N 1.37 4.67 -0.13 2.79 3.52 -0.19 -4.90 118.95 126.07 3i7k s ARG 713 Ca -0.03 1.34 -0.02 0.00 -0.13 0.00 0.00 55.73 56.90 3i7k s ARG 713 Cb -0.17 -3.34 -0.02 0.00 -1.56 0.00 0.00 34.95 29.85 3i7k s ARG 713 CO -0.07 0.32 -0.08 0.99 -0.81 0.00 0.00 175.30 175.65 3i7k s THR 714 N -0.35 3.56 -0.45 4.11 2.01 -1.26 -0.73 115.64 122.52 3i7k s THR 714 Ca 0.43 -0.49 0.04 0.00 0.31 0.00 0.00 61.69 61.98 3i7k s THR 714 Cb -0.23 -2.52 0.12 0.00 0.01 0.00 0.00 72.50 69.88 3i7k s THR 714 CO 0.28 0.52 0.19 -0.69 -0.69 0.00 0.00 174.62 174.23 3i7k s VAL 715 N 0.21 2.31 0.40 3.82 1.01 -0.33 -5.00 120.40 122.82 3i7k s VAL 715 Ca -0.05 -2.90 -0.26 0.00 0.00 0.00 0.00 61.98 58.77 3i7k s VAL 715 Cb -0.14 -2.64 -0.10 0.00 0.00 0.00 0.00 36.38 33.49 3i7k s VAL 715 CO 0.04 -0.75 1.28 -2.65 0.00 0.00 0.00 175.10 173.02 3i7k n PRO 716 N 3.53 2.00 -0.00 2.72 -0.02 -1.26 -0.55 135.00 141.42 3i7k n PRO 716 Ca 0.05 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 3i7k n PRO 716 Cb 0.35 -2.38 -0.01 0.00 -0.02 0.00 0.00 33.50 31.44 3i7k n PRO 716 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3i7k n LEU 717 N 0.34 0.00 -0.59 2.45 4.77 -0.55 -4.84 117.00 118.58 3i7k n LEU 717 Ca 0.06 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.96 3i7k n LEU 717 Cb 0.39 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.45 3i7k n LEU 717 CO 0.60 0.00 -0.07 -1.22 -1.33 0.00 0.00 177.39 175.37 3i7k n TYR 718 N -1.58 0.00 -3.95 -1.77 4.02 -1.14 -0.92 117.16 111.82 3i7k n TYR 718 Ca -0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.77 3i7k n TYR 718 Cb 0.07 -2.04 -0.01 0.00 -0.02 0.00 0.00 39.34 37.35 3i7k n TYR 718 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 176.86 174.02 3i7k s GLU 719 N -2.37 2.02 -0.40 -0.72 -1.05 -1.07 -3.93 118.70 111.18 3i7k s GLU 719 Ca 0.00 -1.54 -0.28 0.00 -0.15 0.00 0.00 54.97 53.00 3i7k s GLU 719 Cb 0.00 0.53 0.02 0.00 -0.44 0.00 0.00 34.13 34.25 3i7k s GLU 719 CO 0.00 -0.89 1.05 -1.12 0.95 0.00 0.00 175.26 175.25 3i7k s SER 720 N -3.13 6.73 0.00 0.83 0.01 -0.84 -3.42 113.70 113.90 3i7k s SER 720 Ca 0.22 0.66 -0.15 0.00 1.31 0.00 0.00 55.95 58.00 3i7k s SER 720 Cb -0.03 -2.52 -0.06 0.00 0.21 0.00 0.00 66.02 63.63 3i7k s SER 720 CO 0.15 -1.02 0.41 -2.16 0.41 0.00 0.00 173.24 171.03 3i7k s PRO 721 N 3.90 3.91 -0.03 12.44 0.04 -1.26 -1.46 135.00 152.54 3i7k s PRO 721 Ca 0.44 0.41 0.03 0.00 0.04 0.00 0.00 61.00 61.92 3i7k s PRO 721 Cb -0.10 -3.21 -0.05 0.00 0.04 0.00 0.00 34.50 31.18 3i7k s PRO 721 CO 0.23 0.69 0.02 0.54 0.04 0.00 0.00 177.00 178.52 3i7k n ARG 722 N 1.79 2.92 -3.85 4.56 5.12 0.47 -4.71 116.66 122.96 3i7k n ARG 722 Ca -0.14 -0.01 -0.11 0.00 -1.93 0.00 0.00 57.85 55.66 3i7k n ARG 722 Cb 0.52 -1.10 -0.09 0.00 -1.16 0.00 0.00 32.46 30.63 3i7k n ARG 722 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 3i7k s LYS 723 N -2.12 0.54 -0.10 5.56 -0.14 -1.17 -4.46 119.74 117.85 3i7k s LYS 723 Ca -0.02 -0.39 -0.07 0.00 -1.36 0.00 0.00 55.97 54.14 3i7k s LYS 723 Cb 0.01 0.23 0.04 0.00 -1.68 0.00 0.00 37.83 36.43 3i7k s LYS 723 CO 0.16 -0.14 0.24 -1.50 -0.76 0.00 0.00 175.35 173.35 3i7k s ILE 724 N -1.49 -0.02 -0.02 2.17 2.07 -1.26 -1.52 121.20 121.12 3i7k s ILE 724 Ca -0.14 0.08 0.02 0.00 -1.41 0.00 0.00 60.65 59.20 3i7k s ILE 724 Cb -0.07 -0.36 0.00 0.00 0.13 0.00 0.00 42.46 42.17 3i7k s ILE 724 CO 0.02 0.03 -0.06 0.00 -1.91 0.00 0.00 174.94 173.02 3i7k s TYR 726 N 0.20 3.83 -0.41 0.00 5.04 -1.26 -0.93 117.35 123.82 3i7k s TYR 726 Ca -0.02 1.56 0.03 0.00 -2.44 0.00 0.00 57.07 56.20 3i7k s TYR 726 Cb -0.07 -2.72 0.11 0.00 0.35 0.00 0.00 41.96 39.63 3i7k s TYR 726 CO -0.00 0.46 0.14 -1.14 -1.34 0.00 0.00 175.55 173.67 3i7k s GLN 727 N -1.39 1.55 0.03 4.97 0.74 0.51 -4.83 119.66 121.23 3i7k s GLN 727 Ca 0.38 -2.06 -0.08 0.00 0.05 0.00 0.00 55.36 53.65 3i7k s GLN 727 Cb -0.21 -3.05 -0.03 0.00 1.10 0.00 0.00 33.01 30.82 3i7k s GLN 727 CO 0.24 -1.02 1.13 1.49 -0.55 0.00 0.00 175.29 176.58 3i7k h GLU 728 N 7.20 -0.14 0.00 1.67 4.81 -1.97 0.17 114.58 126.32 3i7k h GLU 728 Ca -0.06 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 3i7k h GLU 728 Cb 0.97 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.38 3i7k h GLU 728 CO 0.57 -0.10 0.21 -0.39 -0.73 0.00 0.00 179.01 178.57 3i7k h VAL 729 N -0.15 0.00 -0.02 0.32 -1.51 -1.96 0.95 116.25 113.89 3i7k h VAL 729 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 3i7k h VAL 729 Cb 0.16 0.48 0.00 0.00 -2.13 0.00 0.00 31.29 29.81 3i7k h VAL 729 CO -0.09 0.00 -0.24 -0.24 -1.23 0.00 0.00 177.57 175.77 3i7k n SER 730 N -2.38 1.97 -3.77 4.19 2.88 -0.90 -5.01 113.62 110.59 3i7k n SER 730 Ca -0.01 -1.49 -0.24 0.00 -1.33 0.00 0.00 58.87 55.80 3i7k n SER 730 Cb 0.24 0.32 0.03 0.00 -0.75 0.00 0.00 64.21 64.04 3i7k n SER 730 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3i7k n GLN 731 N 0.26 -4.91 -2.36 -1.46 1.13 0.33 -4.95 117.38 105.43 3i7k n GLN 731 Ca 0.08 0.60 -0.02 0.00 -1.94 0.00 0.00 57.00 55.71 3i7k n GLN 731 Cb 0.39 -5.19 0.01 0.00 0.11 0.00 0.00 30.24 25.56 3i7k n GLN 731 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3i7k s PHE 733 N -5.11 1.96 -0.18 0.00 0.40 0.75 -0.37 117.98 115.43 3i7k s PHE 733 Ca 0.09 -0.39 -0.09 0.00 -0.60 0.00 0.00 56.93 55.94 3i7k s PHE 733 Cb -0.02 -1.16 -0.05 0.00 0.51 0.00 0.00 43.02 42.31 3i7k s PHE 733 CO 0.04 0.12 0.11 0.20 0.70 0.00 0.00 175.22 176.38 3i7k s GLY 734 N -1.26 2.02 -0.07 4.36 0.00 -0.11 -0.53 107.32 111.72 3i7k s GLY 734 Ca 0.09 -0.70 0.02 0.00 0.00 0.00 0.00 44.72 44.13 3i7k s GLY 734 CO 0.02 0.03 -0.11 0.14 0.00 0.00 0.00 173.10 173.18 3i7k s VAL 735 N 0.14 1.08 -0.14 1.40 1.01 0.37 -1.46 120.40 122.80 3i7k s VAL 735 Ca 0.08 -0.43 -0.25 0.00 0.00 0.00 0.00 61.98 61.37 3i7k s VAL 735 Cb -0.11 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.24 3i7k s VAL 735 CO -0.01 0.35 0.80 -0.76 0.00 0.00 0.00 175.10 175.49 3i7k s LEU 736 N 0.78 4.22 0.30 3.92 1.43 -0.58 0.41 118.68 129.16 3i7k s LEU 736 Ca -0.13 1.20 0.03 0.00 -1.03 0.00 0.00 54.13 54.20 3i7k s LEU 736 Cb -0.15 -3.21 -0.04 0.00 0.03 0.00 0.00 46.19 42.81 3i7k s LEU 736 CO 0.02 -0.32 0.12 -0.94 0.23 0.00 0.00 176.35 175.46 3i7k s SER 737 N 1.07 1.69 0.01 2.29 1.04 -0.97 -0.40 113.70 118.44 3i7k s SER 737 Ca 0.39 -1.48 -0.03 0.00 0.48 0.00 0.00 55.95 55.30 3i7k s SER 737 Cb -0.17 0.25 -0.01 0.00 0.10 0.00 0.00 66.02 66.19 3i7k s SER 737 CO 0.15 -0.80 0.05 -0.94 0.98 0.00 0.00 173.24 172.68 3i7k s SER 738 N -3.40 0.13 0.09 7.02 1.04 -0.54 -1.15 113.70 116.90 3i7k s SER 738 Ca 0.35 -0.34 0.02 0.00 0.48 0.00 0.00 55.95 56.46 3i7k s SER 738 Cb 0.06 0.15 -0.04 0.00 0.10 0.00 0.00 66.02 66.29 3i7k s SER 738 CO 0.15 -0.32 -0.07 0.00 0.98 0.00 0.00 173.24 173.99 3i7k s ARG 739 N -1.36 0.81 -0.21 4.02 1.70 -0.32 -1.98 118.95 121.61 3i7k s ARG 739 Ca -0.15 -1.28 -0.07 0.00 -0.47 0.00 0.00 55.73 53.77 3i7k s ARG 739 Cb -0.09 -0.23 -0.03 0.00 -0.57 0.00 0.00 34.95 34.03 3i7k s ARG 739 CO 0.00 -0.01 0.05 0.42 -1.08 0.00 0.00 175.30 174.69 3i7k s ILE 740 N -3.37 4.43 0.39 4.99 1.01 -1.26 -0.93 121.20 126.46 3i7k s ILE 740 Ca 0.10 -0.15 0.08 0.00 0.00 0.00 0.00 60.65 60.68 3i7k s ILE 740 Cb 0.04 -3.03 -0.05 0.00 0.01 0.00 0.00 42.46 39.42 3i7k s ILE 740 CO -0.04 0.40 0.15 -1.61 0.00 0.00 0.00 174.94 173.83 3i7k s GLU 741 N 1.03 2.22 0.21 2.79 2.02 -0.37 -4.49 118.70 122.10 3i7k s GLU 741 Ca 0.04 -1.79 0.09 0.00 0.02 0.00 0.00 54.97 53.32 3i7k s GLU 741 Cb -0.14 -2.00 -0.05 0.00 0.10 0.00 0.00 34.13 32.05 3i7k s GLU 741 CO 0.03 -0.04 -0.16 0.14 0.02 0.00 0.00 175.26 175.24 3i7k s VAL 742 N -2.56 1.86 -0.13 2.63 -7.23 -1.26 -2.10 120.40 111.61 3i7k s VAL 742 Ca 0.39 -2.18 -0.34 0.00 -1.81 0.00 0.00 61.98 58.04 3i7k s VAL 742 Cb 0.02 -2.04 -0.12 0.00 0.56 0.00 0.00 36.38 34.81 3i7k s VAL 742 CO 0.22 -0.51 1.92 1.67 -0.31 0.00 0.00 175.10 178.09 3i7k n GLN 743 N -0.27 2.04 -2.08 4.82 7.27 0.03 -2.94 117.38 126.24 3i7k n GLN 743 Ca -0.09 0.73 -0.28 0.00 0.07 0.00 0.00 57.00 57.43 3i7k n GLN 743 Cb 0.60 -2.63 0.05 0.00 2.41 0.00 0.00 30.24 30.67 3i7k n GLN 743 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 3i7k s ASP 744 N 4.50 5.22 0.33 1.69 -1.08 0.18 -3.59 116.67 123.92 3i7k s ASP 744 Ca 0.95 0.85 0.14 0.00 -0.52 0.00 0.00 52.55 53.97 3i7k s ASP 744 Cb -0.71 -1.62 0.54 0.00 -1.46 0.00 0.00 42.92 39.67 3i7k s ASP 744 CO 0.52 -1.40 1.69 0.71 0.52 0.00 0.00 175.17 177.21 3i7k h THR 745 N -0.58 1.20 0.00 1.71 1.35 -1.93 -1.05 112.91 113.60 3i7k h THR 745 Ca -0.45 -1.76 0.00 0.00 -0.55 0.00 0.00 66.41 63.65 3i7k h THR 745 Cb 1.28 1.99 0.00 0.00 -1.73 0.00 0.00 68.15 69.69 3i7k h THR 745 CO 0.63 0.48 0.00 -0.24 -0.25 0.00 0.00 175.52 176.14 3i7k n SER 746 N -3.74 0.00 0.00 5.36 2.88 -1.26 -4.92 113.62 111.94 3i7k n SER 746 Ca -0.01 -0.38 0.00 0.00 -1.33 0.00 0.00 58.87 57.15 3i7k n SER 746 Cb 0.54 -0.11 0.00 0.00 -0.75 0.00 0.00 64.21 63.89 3i7k n SER 746 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3i7k n GLY 747 N 0.26 2.45 0.00 0.46 0.00 -0.40 -5.00 105.19 102.96 3i7k n GLY 747 Ca 0.13 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.64 3i7k n GLY 747 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i7k n GLY 748 N 0.00 -3.00 3.65 -0.02 0.00 -1.26 -2.29 105.19 102.27 3i7k n GLY 748 Ca 0.00 -0.99 -0.29 0.00 0.00 0.00 0.00 46.02 44.74 3i7k n GLY 748 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3i7k s THR 749 N 0.00 3.75 0.00 2.61 -4.23 -1.25 0.49 115.64 117.01 3i7k s THR 749 Ca 0.00 -1.16 0.00 0.00 -1.18 0.00 0.00 61.69 59.35 3i7k s THR 749 Cb 0.00 -2.79 0.00 0.00 1.34 0.00 0.00 72.50 71.05 3i7k s THR 749 CO 0.00 0.08 0.00 0.41 -0.54 0.00 0.00 174.62 174.57 3i7k n THR 750 N 0.49 0.00 -3.56 3.99 -1.04 -1.15 -4.89 114.28 108.12 3i7k n THR 750 Ca -0.11 0.00 -0.24 0.00 -2.04 0.00 0.00 64.05 61.65 3i7k n THR 750 Cb 0.53 0.00 -0.15 0.00 -1.82 0.00 0.00 70.33 68.88 3i7k n THR 750 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3i7k s ALA 751 N -2.23 0.26 -1.48 2.41 0.00 -1.26 -4.63 121.76 114.84 3i7k s ALA 751 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 51.96 51.61 3i7k s ALA 751 Cb 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 23.12 21.91 3i7k s ALA 751 CO 0.00 -1.31 0.73 1.47 0.00 0.00 0.00 175.76 176.65 3i7k n LEU 752 N 5.28 0.52 0.00 0.00 -0.00 -1.26 -4.89 117.00 116.65 3i7k n LEU 752 Ca -0.06 -0.26 0.00 0.00 -0.00 0.00 0.00 56.01 55.69 3i7k n LEU 752 Cb 0.47 -0.26 0.00 0.00 -0.00 0.00 0.00 43.42 43.64 3i7k n LEU 752 CO 0.08 0.13 0.00 -1.14 -0.00 0.00 0.00 177.39 176.46 3i7k n ARG 753 N -0.23 0.00 -2.60 1.47 0.63 -1.26 -5.11 116.66 109.56 3i7k n ARG 753 Ca 0.00 0.00 -0.37 0.00 -0.92 0.00 0.00 57.85 56.56 3i7k n ARG 753 Cb 0.13 0.00 -0.05 0.00 0.45 0.00 0.00 32.46 32.99 3i7k n ARG 753 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 3i7k s PRO 754 N -3.44 4.33 0.05 -0.14 0.04 -1.26 -5.01 135.00 129.57 3i7k s PRO 754 Ca 0.00 1.49 0.00 0.00 0.04 0.00 0.00 61.00 62.53 3i7k s PRO 754 Cb 0.00 -2.67 -0.00 0.00 0.04 0.00 0.00 34.50 31.87 3i7k s PRO 754 CO 0.00 0.01 0.06 -1.13 0.04 0.00 0.00 177.00 175.98 3i7k n SER 755 N 0.22 -0.17 -0.13 6.66 3.41 -1.26 -4.91 113.62 117.44 3i7k n SER 755 Ca 0.04 -1.29 -0.06 0.00 -0.26 0.00 0.00 58.87 57.29 3i7k n SER 755 Cb 0.49 0.34 0.02 0.00 -0.26 0.00 0.00 64.21 64.81 3i7k n SER 755 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i7k h ALA 756 N 1.42 0.53 0.00 7.33 0.00 -1.35 -2.06 119.26 125.12 3i7k h ALA 756 Ca -0.04 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3i7k h ALA 756 Cb 0.18 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3i7k h ALA 756 CO 0.05 -0.14 0.00 0.66 0.00 0.00 0.00 179.25 179.83 3i7k h SER 757 N 0.44 0.00 0.02 0.00 4.64 -1.98 -2.91 113.55 113.76 3i7k h SER 757 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 3i7k h SER 757 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 3i7k h SER 757 CO -0.12 0.00 -1.32 0.35 -0.87 0.00 0.00 176.83 174.87 3i7k n THR 758 N -2.46 0.00 -0.93 2.95 -2.24 -0.97 -4.49 114.28 106.14 3i7k n THR 758 Ca 0.02 -0.17 0.08 0.00 -2.27 0.00 0.00 64.05 61.72 3i7k n THR 758 Cb 0.29 0.65 0.12 0.00 -2.10 0.00 0.00 70.33 69.29 3i7k n THR 758 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i7k n GLN 759 N -1.76 1.50 -1.39 -0.78 6.02 -0.82 -4.90 117.38 115.25 3i7k n GLN 759 Ca 0.01 -2.37 -0.34 0.00 -0.01 0.00 0.00 57.00 54.30 3i7k n GLN 759 Cb 0.41 -1.40 0.09 0.00 1.02 0.00 0.00 30.24 30.37 3i7k n GLN 759 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3i7k s ALA 760 N -2.52 2.11 0.45 -1.58 0.00 -1.11 -4.91 121.76 114.20 3i7k s ALA 760 Ca 0.26 0.76 0.16 0.00 0.00 0.00 0.00 51.96 53.15 3i7k s ALA 760 Cb 0.23 -3.43 1.07 0.00 0.00 0.00 0.00 23.12 20.99 3i7k s ALA 760 CO 0.02 -1.88 2.01 -0.07 0.00 0.00 0.00 175.76 175.85 3i7k h LEU 761 N -0.46 0.00 -7.77 0.00 3.38 -1.35 -3.45 115.31 105.66 3i7k h LEU 761 Ca -0.47 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.49 3i7k h LEU 761 Cb 1.28 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.94 3i7k h LEU 761 CO 0.49 0.17 0.05 -0.94 0.09 0.00 0.00 178.44 178.30 3i7k s SER 762 N -6.91 -0.25 0.36 -0.43 1.04 -0.88 -5.01 113.70 101.63 3i7k s SER 762 Ca -0.04 -0.54 -0.07 0.00 0.48 0.00 0.00 55.95 55.78 3i7k s SER 762 Cb 0.15 0.60 0.02 0.00 0.10 0.00 0.00 66.02 66.90 3i7k s SER 762 CO 0.68 -1.10 0.59 -0.94 0.98 0.00 0.00 173.24 173.44 3i7k s SER 763 N -2.89 0.62 -0.25 7.02 1.04 -1.26 -0.52 113.70 117.45 3i7k s SER 763 Ca 0.11 -1.37 -0.28 0.00 0.48 0.00 0.00 55.95 54.88 3i7k s SER 763 Cb -0.02 0.73 0.17 0.00 0.10 0.00 0.00 66.02 67.00 3i7k s SER 763 CO -0.00 -1.44 1.24 -0.94 0.98 0.00 0.00 173.24 173.08 3i7k s SER 764 N -3.18 -0.17 0.44 7.02 1.04 -0.98 -4.91 113.70 112.96 3i7k s SER 764 Ca 0.25 0.22 0.06 0.00 0.48 0.00 0.00 55.95 56.97 3i7k s SER 764 Cb -0.02 0.19 -0.05 0.00 0.10 0.00 0.00 66.02 66.25 3i7k s SER 764 CO 0.17 -0.13 0.11 0.68 0.98 0.00 0.00 173.24 175.05 3i7k s VAL 765 N -0.76 1.92 -0.15 5.02 -7.23 -1.26 -1.31 120.40 116.62 3i7k s VAL 765 Ca 0.05 -1.84 -0.24 0.00 -1.81 0.00 0.00 61.98 58.14 3i7k s VAL 765 Cb -0.02 -2.76 -0.02 0.00 0.56 0.00 0.00 36.38 34.14 3i7k s VAL 765 CO -0.06 0.00 0.75 -0.55 -0.31 0.00 0.00 175.10 174.93 3i7k s SER 766 N -3.86 6.89 0.00 4.85 0.15 -0.59 -4.82 113.70 116.32 3i7k s SER 766 Ca 0.31 1.09 0.24 0.00 0.70 0.00 0.00 55.95 58.30 3i7k s SER 766 Cb 0.05 -2.42 0.35 0.00 -1.71 0.00 0.00 66.02 62.29 3i7k s SER 766 CO 0.17 -0.30 1.32 -1.54 1.20 0.00 0.00 173.24 174.08 3i7k n SER 767 N 4.85 1.64 -4.50 5.45 3.41 -1.26 -4.85 113.62 118.36 3i7k n SER 767 Ca 0.02 -1.28 -0.46 0.00 -0.26 0.00 0.00 58.87 56.88 3i7k n SER 767 Cb 0.50 0.30 -0.02 0.00 -0.26 0.00 0.00 64.21 64.73 3i7k n SER 767 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3i7k n SER 768 N -0.21 0.12 -1.07 4.04 2.88 -1.26 -4.91 113.62 113.21 3i7k n SER 768 Ca 0.11 1.16 0.08 0.00 -1.33 0.00 0.00 58.87 58.89 3i7k n SER 768 Cb 0.42 -1.13 0.28 0.00 -0.75 0.00 0.00 64.21 63.03 3i7k n SER 768 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3i7k n LYS 769 N 0.89 3.30 0.13 -1.46 4.76 -1.26 -4.77 118.16 119.74 3i7k n LYS 769 Ca 0.14 -2.78 0.19 0.00 -2.87 0.00 0.00 58.31 52.99 3i7k n LYS 769 Cb 0.28 -1.83 0.73 0.00 -1.84 0.00 0.00 35.03 32.37 3i7k n LYS 769 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 3i7k h LEU 770 N 2.37 0.00 -8.46 -0.35 3.38 -2.03 -3.41 115.31 106.82 3i7k h LEU 770 Ca 0.00 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.39 3i7k h LEU 770 Cb 1.42 0.00 -0.28 0.00 0.09 0.00 0.00 40.66 41.89 3i7k h LEU 770 CO 0.23 0.00 -0.85 -0.36 0.09 0.00 0.00 178.44 177.56 3i7k s PHE 771 N -4.49 1.78 -0.46 1.13 0.40 -1.26 -5.04 117.98 110.04 3i7k s PHE 771 Ca -0.04 -0.35 0.05 0.00 -0.60 0.00 0.00 56.93 55.99 3i7k s PHE 771 Cb 0.14 -1.11 0.27 0.00 0.51 0.00 0.00 43.02 42.82 3i7k s PHE 771 CO 0.48 0.02 1.00 0.43 0.70 0.00 0.00 175.22 177.85 3i7k n SER 772 N 2.29 -2.54 0.00 1.36 7.64 -1.26 -5.19 113.62 115.91 3i7k n SER 772 Ca -0.16 -3.20 0.00 0.00 1.01 0.00 0.00 58.87 56.52 3i7k n SER 772 Cb 0.53 1.73 0.00 0.00 -1.01 0.00 0.00 64.21 65.46 3i7k n SER 772 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3i7k n SER 773 N 1.26 0.00 0.00 6.43 3.41 -1.26 -5.31 113.62 118.16 3i7k n SER 773 Ca 0.07 -0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.55 3i7k n SER 773 Cb 0.66 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.61 3i7k n SER 773 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i7k n GLY 783 N 0.00 0.00 3.32 5.00 0.00 -1.24 -5.30 105.19 106.97 3i7k n GLY 783 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 3i7k n GLY 783 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i7k s GLU 784 N 0.00 0.96 -0.03 1.61 2.02 -1.26 -4.96 118.70 117.04 3i7k s GLU 784 Ca 0.00 -0.48 0.07 0.00 0.02 0.00 0.00 54.97 54.58 3i7k s GLU 784 Cb 0.00 0.43 -0.02 0.00 0.10 0.00 0.00 34.13 34.63 3i7k s GLU 784 CO 0.00 -0.34 -0.22 -1.21 0.02 0.00 0.00 175.26 173.51 3i7k s GLU 785 N -2.90 2.23 -0.04 1.61 2.02 -1.26 -0.79 118.70 119.57 3i7k s GLU 785 Ca -0.03 -0.86 0.00 0.00 0.02 0.00 0.00 54.97 54.11 3i7k s GLU 785 Cb 0.00 -2.15 0.03 0.00 0.10 0.00 0.00 34.13 32.11 3i7k s GLU 785 CO -0.05 0.58 -0.00 0.08 0.02 0.00 0.00 175.26 175.88 3i7k s VAL 786 N -0.66 0.25 0.47 2.63 1.01 -0.89 -5.00 120.40 118.21 3i7k s VAL 786 Ca 0.11 0.08 -0.21 0.00 0.00 0.00 0.00 61.98 61.95 3i7k s VAL 786 Cb -0.10 -0.36 -0.09 0.00 0.00 0.00 0.00 36.38 35.83 3i7k s VAL 786 CO -0.00 0.18 1.04 -1.61 0.00 0.00 0.00 175.10 174.71 3i7k s GLU 787 N 1.23 3.86 -0.07 2.72 2.02 -1.26 -1.23 118.70 125.98 3i7k s GLU 787 Ca -0.07 1.39 -0.02 0.00 0.02 0.00 0.00 54.97 56.29 3i7k s GLU 787 Cb -0.13 -2.17 0.03 0.00 0.10 0.00 0.00 34.13 31.96 3i7k s GLU 787 CO -0.02 -0.38 0.03 0.08 0.02 0.00 0.00 175.26 174.99 3i7k s VAL 788 N -1.93 0.14 0.06 2.63 1.01 -0.10 -4.65 120.40 117.56 3i7k s VAL 788 Ca 0.66 0.22 0.03 0.00 0.00 0.00 0.00 61.98 62.89 3i7k s VAL 788 Cb -0.17 -0.38 -0.04 0.00 0.00 0.00 0.00 36.38 35.79 3i7k s VAL 788 CO 0.21 0.18 0.03 -1.00 0.00 0.00 0.00 175.10 174.52 3i7k s HIS 789 N 2.07 3.08 0.11 5.22 3.76 -1.26 -1.18 115.29 127.09 3i7k s HIS 789 Ca 0.05 0.04 -0.04 0.00 -0.15 0.00 0.00 55.06 54.95 3i7k s HIS 789 Cb -0.12 -1.60 -0.03 0.00 1.11 0.00 0.00 32.58 31.94 3i7k s HIS 789 CO -0.05 0.49 0.10 -0.80 -0.85 0.00 0.00 174.74 173.64 3i7k s ASN 790 N -2.15 0.27 -0.31 1.40 0.01 -0.30 -1.47 114.94 112.38 3i7k s ASN 790 Ca 0.25 -0.97 -0.05 0.00 -0.71 0.00 0.00 52.86 51.38 3i7k s ASN 790 Cb -0.12 0.31 0.03 0.00 0.41 0.00 0.00 41.25 41.88 3i7k s ASN 790 CO 0.18 -0.73 0.06 -0.22 -1.51 0.00 0.00 177.10 174.89 3i7k s LEU 791 N -2.96 4.00 0.07 0.60 2.96 0.11 -2.29 118.68 121.17 3i7k s LEU 791 Ca 0.14 -1.00 -0.20 0.00 -0.22 0.00 0.00 54.13 52.85 3i7k s LEU 791 Cb 0.06 -1.83 -0.07 0.00 0.50 0.00 0.00 46.19 44.86 3i7k s LEU 791 CO -0.05 -0.26 0.59 -0.76 -1.32 0.00 0.00 176.35 174.56 3i7k s LEU 792 N 1.40 4.52 -0.21 -0.68 1.43 0.16 -1.95 118.68 123.36 3i7k s LEU 792 Ca -0.01 1.27 -0.01 0.00 -1.03 0.00 0.00 54.13 54.36 3i7k s LEU 792 Cb -0.19 -2.93 0.01 0.00 0.03 0.00 0.00 46.19 43.12 3i7k s LEU 792 CO 0.01 0.24 -0.13 -0.63 0.23 0.00 0.00 176.35 176.08 3i7k s ILE 793 N -0.97 2.60 -0.10 -0.59 -1.09 -0.09 -0.48 121.20 120.49 3i7k s ILE 793 Ca 0.30 -0.84 0.02 0.00 -2.23 0.00 0.00 60.65 57.89 3i7k s ILE 793 Cb -0.20 -2.18 0.01 0.00 -1.58 0.00 0.00 42.46 38.52 3i7k s ILE 793 CO 0.19 0.43 -0.15 -0.63 -1.23 0.00 0.00 174.94 173.55 3i7k s ILE 794 N 1.35 1.44 0.14 2.92 1.01 0.30 -0.66 121.20 127.70 3i7k s ILE 794 Ca 0.04 -0.62 -0.31 0.00 0.00 0.00 0.00 60.65 59.75 3i7k s ILE 794 Cb -0.14 -1.31 -0.09 0.00 0.01 0.00 0.00 42.46 40.92 3i7k s ILE 794 CO -0.08 0.43 1.55 -0.62 0.00 0.00 0.00 174.94 176.22 3i7k s ASP 795 N 0.87 6.63 0.57 3.58 -1.08 -0.91 -0.18 116.67 126.15 3i7k s ASP 795 Ca -0.09 2.55 0.36 0.00 -0.52 0.00 0.00 52.55 54.85 3i7k s ASP 795 Cb -0.15 -2.59 1.67 0.00 -1.46 0.00 0.00 42.92 40.39 3i7k s ASP 795 CO 0.00 -0.81 2.08 0.06 0.52 0.00 0.00 175.17 177.03 3i7k h GLN 796 N 7.04 0.00 0.00 4.34 3.07 -1.79 -1.35 115.11 126.42 3i7k h GLN 796 Ca -0.42 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.32 3i7k h GLN 796 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.76 3i7k h GLN 796 CO 0.91 0.00 -0.54 0.72 0.09 0.00 0.00 178.83 180.01 3i7k n HIS 797 N -3.03 0.37 1.34 0.06 8.25 -1.26 -4.58 115.22 116.38 3i7k n HIS 797 Ca -0.00 0.16 0.14 0.00 -0.26 0.00 0.00 57.72 57.76 3i7k n HIS 797 Cb 0.23 -0.51 0.56 0.00 1.12 0.00 0.00 29.99 31.39 3i7k n HIS 797 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3i7k n THR 798 N -3.96 0.00 -3.45 1.59 -2.24 -1.25 -4.93 114.28 100.04 3i7k n THR 798 Ca -0.08 -0.06 -0.24 0.00 -2.27 0.00 0.00 64.05 61.40 3i7k n THR 798 Cb 0.28 -0.03 -0.01 0.00 -2.10 0.00 0.00 70.33 68.46 3i7k n THR 798 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3i7k n PHE 799 N -0.97 -1.72 -3.41 4.78 3.01 -0.51 -4.96 117.46 113.68 3i7k n PHE 799 Ca 0.13 0.46 -0.27 0.00 1.01 0.00 0.00 57.45 58.77 3i7k n PHE 799 Cb 0.29 -2.59 -0.03 0.00 -0.01 0.00 0.00 39.48 37.15 3i7k n PHE 799 CO 0.00 0.00 0.00 -1.83 1.01 0.00 0.00 176.76 175.94 3i7k s GLU 800 N -6.09 3.58 -1.13 -1.08 -1.05 -1.26 -4.76 118.70 106.90 3i7k s GLU 800 Ca 0.42 -0.13 -0.17 0.00 -0.15 0.00 0.00 54.97 54.95 3i7k s GLU 800 Cb -0.23 -2.69 0.13 0.00 -0.44 0.00 0.00 34.13 30.90 3i7k s GLU 800 CO 0.52 0.24 1.41 0.08 0.95 0.00 0.00 175.26 178.45 3i7k s VAL 801 N -2.09 4.69 0.15 1.83 1.01 -1.26 -2.13 120.40 122.60 3i7k s VAL 801 Ca 0.42 -2.06 -0.27 0.00 0.00 0.00 0.00 61.98 60.07 3i7k s VAL 801 Cb -0.11 -4.94 -0.01 0.00 0.00 0.00 0.00 36.38 31.33 3i7k s VAL 801 CO 0.31 -1.69 1.58 -0.07 0.00 0.00 0.00 175.10 175.23 3i7k h LEU 802 N 10.68 -1.31 -7.85 3.92 3.38 -1.27 -1.73 115.31 121.14 3i7k h LEU 802 Ca 0.29 0.20 -0.15 0.00 0.09 0.00 0.00 57.88 58.30 3i7k h LEU 802 Cb 0.93 0.56 -0.20 0.00 0.09 0.00 0.00 40.66 42.04 3i7k h LEU 802 CO 1.26 -0.38 -0.56 -2.28 0.09 0.00 0.00 178.44 176.57 3i7k s HIS 803 N -5.90 0.14 -0.06 1.13 5.04 -1.15 -2.07 115.29 112.42 3i7k s HIS 803 Ca -0.15 -0.32 0.00 0.00 -1.54 0.00 0.00 55.06 53.05 3i7k s HIS 803 Cb 0.11 -0.11 0.02 0.00 0.04 0.00 0.00 32.58 32.65 3i7k s HIS 803 CO 0.65 -0.27 -0.05 0.00 -2.34 0.00 0.00 174.74 172.74 3i7k s ALA 804 N -1.61 0.85 -0.19 1.58 0.00 0.32 -0.91 121.76 121.80 3i7k s ALA 804 Ca -0.14 -0.19 -0.05 0.00 0.00 0.00 0.00 51.96 51.59 3i7k s ALA 804 Cb -0.07 -0.59 -0.03 0.00 0.00 0.00 0.00 23.12 22.43 3i7k s ALA 804 CO -0.00 -0.17 -0.00 -1.58 0.00 0.00 0.00 175.76 174.01 3i7k s HIS 805 N 1.27 3.06 -0.12 0.00 5.04 -0.82 -2.32 115.29 121.39 3i7k s HIS 805 Ca -0.05 -0.35 -0.13 0.00 -1.54 0.00 0.00 55.06 52.99 3i7k s HIS 805 Cb -0.14 -2.06 -0.05 0.00 0.04 0.00 0.00 32.58 30.38 3i7k s HIS 805 CO -0.02 -0.15 0.28 -1.14 -2.34 0.00 0.00 174.74 171.38 3i7k s GLN 806 N 0.79 4.05 0.94 2.88 0.74 -0.42 0.06 119.66 128.69 3i7k s GLN 806 Ca 0.00 0.10 -0.15 0.00 0.05 0.00 0.00 55.36 55.36 3i7k s GLN 806 Cb -0.14 -3.35 0.19 0.00 1.10 0.00 0.00 33.01 30.81 3i7k s GLN 806 CO 0.02 0.42 1.30 -0.06 -0.55 0.00 0.00 175.29 176.43 3i7k s PHE 807 N -0.09 1.75 0.90 1.67 0.40 -0.55 -1.55 117.98 120.51 3i7k s PHE 807 Ca 0.17 0.36 -0.11 0.00 -0.60 0.00 0.00 56.93 56.75 3i7k s PHE 807 Cb -0.13 -4.04 0.13 0.00 0.51 0.00 0.00 43.02 39.48 3i7k s PHE 807 CO 0.05 -2.55 1.09 -0.51 0.70 0.00 0.00 175.22 174.01 3i7k s LEU 808 N -5.85 2.34 -0.20 -0.37 1.43 -1.26 -4.61 118.68 110.16 3i7k s LEU 808 Ca 0.73 1.60 -0.39 0.00 -1.03 0.00 0.00 54.13 55.04 3i7k s LEU 808 Cb -0.05 -4.03 -0.15 0.00 0.03 0.00 0.00 46.19 41.99 3i7k s LEU 808 CO 0.52 -2.69 1.70 0.00 0.23 0.00 0.00 176.35 176.11 3i7k n GLN 809 N -3.92 1.26 -0.55 1.70 6.02 -1.26 -1.95 117.38 118.68 3i7k n GLN 809 Ca 0.07 0.46 0.00 0.00 -0.01 0.00 0.00 57.00 57.53 3i7k n GLN 809 Cb 0.55 -2.16 0.00 0.00 1.02 0.00 0.00 30.24 29.65 3i7k n GLN 809 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3i7k n ASN 810 N 5.04 0.00 -4.67 1.08 3.02 -1.26 -4.97 115.26 113.50 3i7k n ASN 810 Ca 0.25 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.37 3i7k n ASN 810 Cb 0.16 -0.15 -0.02 0.00 -0.61 0.00 0.00 39.78 39.15 3i7k n ASN 810 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3i7k s GLU 811 N -0.04 4.28 -0.21 3.52 2.12 -0.82 -1.27 118.70 126.29 3i7k s GLU 811 Ca 0.00 1.54 -0.10 0.00 0.36 0.00 0.00 54.97 56.78 3i7k s GLU 811 Cb 0.00 -3.66 -0.05 0.00 0.26 0.00 0.00 34.13 30.68 3i7k s GLU 811 CO 0.00 -0.59 0.13 0.71 -0.54 0.00 0.00 175.26 174.97 3i7k s TYR 812 N 3.00 3.38 -0.03 5.30 4.12 0.44 -4.27 117.35 129.30 3i7k s TYR 812 Ca 0.51 0.29 -0.30 0.00 0.02 0.00 0.00 57.07 57.59 3i7k s TYR 812 Cb -0.20 -2.17 -0.03 0.00 -1.52 0.00 0.00 41.96 38.04 3i7k s TYR 812 CO 0.14 0.24 0.99 0.00 0.02 0.00 0.00 175.55 176.94 3i7k s ALA 813 N 0.48 3.22 -0.10 3.71 0.00 -1.26 -1.53 121.76 126.27 3i7k s ALA 813 Ca 0.08 0.50 0.06 0.00 0.00 0.00 0.00 51.96 52.60 3i7k s ALA 813 Cb -0.12 -3.36 -0.11 0.00 0.00 0.00 0.00 23.12 19.53 3i7k s ALA 813 CO -0.01 -0.32 -0.01 1.28 0.00 0.00 0.00 175.76 176.70 3i7k n LEU 814 N 4.17 0.83 -4.20 0.00 4.77 0.02 -4.99 117.00 117.60 3i7k n LEU 814 Ca 0.07 -0.02 -0.13 0.00 -0.03 0.00 0.00 56.01 55.90 3i7k n LEU 814 Cb 0.50 0.05 -0.10 0.00 -2.33 0.00 0.00 43.42 41.54 3i7k n LEU 814 CO 0.52 0.37 -0.40 -0.94 -1.33 0.00 0.00 177.39 175.60 3i7k s SER 815 N -4.47 1.49 -0.09 -1.43 1.04 -1.01 -4.92 113.70 104.31 3i7k s SER 815 Ca -0.08 -0.95 -0.14 0.00 0.48 0.00 0.00 55.95 55.26 3i7k s SER 815 Cb 0.03 0.03 0.03 0.00 0.10 0.00 0.00 66.02 66.21 3i7k s SER 815 CO 0.36 -0.35 0.36 -0.22 0.98 0.00 0.00 173.24 174.37 3i7k s LEU 816 N -2.91 0.63 -0.00 2.42 2.96 -1.26 -1.20 118.68 119.32 3i7k s LEU 816 Ca 0.12 0.51 -0.13 0.00 -0.22 0.00 0.00 54.13 54.41 3i7k s LEU 816 Cb 0.02 1.32 0.02 0.00 0.50 0.00 0.00 46.19 48.04 3i7k s LEU 816 CO -0.01 -0.26 0.28 0.54 -1.32 0.00 0.00 176.35 175.58 3i7k s VAL 817 N -0.39 0.07 -0.18 1.68 0.11 -0.08 -4.94 120.40 116.67 3i7k s VAL 817 Ca -0.05 -0.55 0.01 0.00 -2.93 0.00 0.00 61.98 58.45 3i7k s VAL 817 Cb -0.03 -0.64 0.03 0.00 -1.53 0.00 0.00 36.38 34.21 3i7k s VAL 817 CO 0.02 -0.30 -0.14 -0.55 -3.33 0.00 0.00 175.10 170.80 3i7k s SER 818 N -1.46 3.16 0.10 3.54 0.15 -1.26 -0.12 113.70 117.81 3i7k s SER 818 Ca -0.12 -0.73 -0.25 0.00 0.70 0.00 0.00 55.95 55.55 3i7k s SER 818 Cb -0.05 -1.29 0.08 0.00 -1.71 0.00 0.00 66.02 63.05 3i7k s SER 818 CO 0.03 -0.08 0.73 0.00 1.20 0.00 0.00 173.24 175.12 3i7k s LYS 820 N -3.50 4.08 -0.06 0.00 1.02 -1.26 -1.36 119.74 118.67 3i7k s LYS 820 Ca 0.04 1.18 0.02 0.00 0.02 0.00 0.00 55.97 57.23 3i7k s LYS 820 Cb -0.01 -2.15 0.01 0.00 -0.52 0.00 0.00 37.83 35.16 3i7k s LYS 820 CO -0.10 -0.17 -0.11 -0.51 -0.92 0.00 0.00 175.35 173.54 3i7k s LEU 821 N -3.32 1.63 0.00 3.17 1.43 -1.26 -4.90 118.68 115.43 3i7k s LEU 821 Ca 0.63 -0.26 0.00 0.00 -1.03 0.00 0.00 54.13 53.47 3i7k s LEU 821 Cb -0.11 -0.75 0.00 0.00 0.03 0.00 0.00 46.19 45.36 3i7k s LEU 821 CO 0.16 0.03 0.00 0.61 0.23 0.00 0.00 176.35 177.38 3i7k n GLY 822 N 3.75 4.08 0.07 -3.19 0.00 0.48 -2.22 105.19 108.17 3i7k n GLY 822 Ca -0.23 0.05 0.11 0.00 0.00 0.00 0.00 46.02 45.96 3i7k n GLY 822 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i7k n LYS 823 N 14.00 0.49 -2.00 1.61 5.02 -1.26 -4.95 118.16 131.07 3i7k n LYS 823 Ca 0.00 0.04 -0.42 0.00 -2.02 0.00 0.00 58.31 55.91 3i7k n LYS 823 Cb 0.00 -1.70 -0.03 0.00 -0.02 0.00 0.00 35.03 33.28 3i7k n LYS 823 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3i7k s ASP 824 N -4.72 6.65 0.47 4.39 -1.08 -0.94 -4.94 116.67 116.50 3i7k s ASP 824 Ca 0.00 2.54 0.26 0.00 -0.52 0.00 0.00 52.55 54.84 3i7k s ASP 824 Cb 0.12 -2.59 0.70 0.00 -1.46 0.00 0.00 42.92 39.69 3i7k s ASP 824 CO 0.80 -0.78 1.74 -0.65 0.52 0.00 0.00 175.17 176.81 3i7k h PRO 825 N 6.76 0.00 -7.13 4.34 0.11 -1.92 -3.36 132.00 130.79 3i7k h PRO 825 Ca -0.43 0.00 -0.54 0.00 0.11 0.00 0.00 66.00 65.15 3i7k h PRO 825 Cb 1.21 0.00 0.14 0.00 0.11 0.00 0.00 31.00 32.45 3i7k h PRO 825 CO 0.90 0.03 0.45 -0.80 -0.21 0.00 0.00 178.00 178.37 3i7k s ASN 826 N -6.04 4.72 -0.26 -2.05 -0.87 -1.26 -4.93 114.94 104.24 3i7k s ASN 826 Ca 0.05 2.41 -0.07 0.00 -1.57 0.00 0.00 52.86 53.68 3i7k s ASN 826 Cb 0.07 -2.60 -0.02 0.00 -0.02 0.00 0.00 41.25 38.68 3i7k s ASN 826 CO 0.63 -1.92 0.07 -0.89 -2.57 0.00 0.00 177.10 172.43 3i7k s THR 827 N -1.72 4.21 0.12 1.60 2.01 -1.26 -4.22 115.64 116.39 3i7k s THR 827 Ca 0.77 -0.33 0.07 0.00 0.31 0.00 0.00 61.69 62.51 3i7k s THR 827 Cb -0.31 -3.03 -0.04 0.00 0.01 0.00 0.00 72.50 69.13 3i7k s THR 827 CO 0.39 0.26 -0.09 -0.31 -0.69 0.00 0.00 174.62 174.18 3i7k s TYR 828 N 1.58 2.72 -0.26 4.92 1.51 -0.46 -4.62 117.35 122.74 3i7k s TYR 828 Ca 0.05 -0.17 -0.07 0.00 -1.01 0.00 0.00 57.07 55.87 3i7k s TYR 828 Cb -0.16 -1.40 -0.02 0.00 -0.11 0.00 0.00 41.96 40.27 3i7k s TYR 828 CO 0.03 0.45 0.07 -0.06 -1.11 0.00 0.00 175.55 174.93 3i7k s PHE 829 N -1.35 3.09 -0.14 2.71 0.08 -1.04 -1.59 117.98 119.75 3i7k s PHE 829 Ca 0.22 -0.54 -0.06 0.00 0.12 0.00 0.00 56.93 56.67 3i7k s PHE 829 Cb -0.10 -2.24 -0.04 0.00 -0.57 0.00 0.00 43.02 40.07 3i7k s PHE 829 CO 0.14 -0.41 0.07 0.42 -0.10 0.00 0.00 175.22 175.35 3i7k s ILE 830 N 1.59 4.91 -0.09 0.64 1.01 0.83 -1.94 121.20 128.15 3i7k s ILE 830 Ca 0.06 -0.01 0.02 0.00 0.00 0.00 0.00 60.65 60.73 3i7k s ILE 830 Cb -0.15 -3.16 0.01 0.00 0.01 0.00 0.00 42.46 39.17 3i7k s ILE 830 CO 0.03 0.54 -0.16 -0.69 0.00 0.00 0.00 174.94 174.66 3i7k s VAL 831 N -0.36 1.48 -0.20 2.92 1.01 -0.52 -0.90 120.40 123.83 3i7k s VAL 831 Ca 0.09 -0.66 -0.09 0.00 0.00 0.00 0.00 61.98 61.32 3i7k s VAL 831 Cb -0.12 -1.33 -0.05 0.00 0.00 0.00 0.00 36.38 34.88 3i7k s VAL 831 CO 0.02 0.43 0.11 -0.83 0.00 0.00 0.00 175.10 174.83 3i7k s GLY 832 N 0.70 1.98 0.00 4.51 0.00 -0.34 -1.52 107.32 112.65 3i7k s GLY 832 Ca -0.13 -0.74 0.00 0.00 0.00 0.00 0.00 44.72 43.86 3i7k s GLY 832 CO 0.03 0.14 0.00 -1.30 0.00 0.00 0.00 173.10 171.97 3i7k n THR 833 N 3.62 0.00 -3.65 0.90 -2.24 -0.29 -0.80 114.28 111.81 3i7k n THR 833 Ca -0.16 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.63 3i7k n THR 833 Cb 0.52 -0.04 -0.06 0.00 -2.10 0.00 0.00 70.33 68.65 3i7k n THR 833 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i7k s ALA 834 N -2.00 -2.61 -0.36 6.98 0.00 -0.58 -1.08 121.76 122.11 3i7k s ALA 834 Ca 0.00 2.01 -0.23 0.00 0.00 0.00 0.00 51.96 53.74 3i7k s ALA 834 Cb 0.00 -1.95 0.01 0.00 0.00 0.00 0.00 23.12 21.18 3i7k s ALA 834 CO 0.00 -0.32 0.78 -1.64 0.00 0.00 0.00 175.76 174.58 3i7k s MET 835 N 1.07 3.78 -0.26 0.00 -1.94 0.29 -0.42 119.30 121.82 3i7k s MET 835 Ca -0.08 0.34 -0.02 0.00 -1.71 0.00 0.00 55.69 54.22 3i7k s MET 835 Cb -0.02 -3.80 0.02 0.00 2.01 0.00 0.00 34.83 33.04 3i7k s MET 835 CO -0.11 -0.82 -0.04 0.08 -0.01 0.00 0.00 175.02 174.12 3i7k s VAL 836 N 3.07 3.01 0.04 -6.03 1.01 -0.39 -4.64 120.40 116.46 3i7k s VAL 836 Ca 0.31 -1.00 0.09 0.00 0.00 0.00 0.00 61.98 61.38 3i7k s VAL 836 Cb -0.13 -2.54 -0.03 0.00 0.00 0.00 0.00 36.38 33.68 3i7k s VAL 836 CO 0.16 0.17 -0.25 -0.31 0.00 0.00 0.00 175.10 174.88 3i7k s TYR 837 N 1.34 2.37 0.13 5.22 1.51 -1.26 -4.86 117.35 121.80 3i7k s TYR 837 Ca 0.00 -0.38 -0.16 0.00 -1.01 0.00 0.00 57.07 55.52 3i7k s TYR 837 Cb -0.17 -1.41 -0.01 0.00 -0.11 0.00 0.00 41.96 40.26 3i7k s TYR 837 CO -0.04 0.15 1.66 -1.35 -1.11 0.00 0.00 175.55 174.86 3i7k h PRO 838 N 4.76 0.61 -0.48 -1.71 0.11 -2.01 -3.08 132.00 130.19 3i7k h PRO 838 Ca -0.47 -0.13 0.04 0.00 0.11 0.00 0.00 66.00 65.56 3i7k h PRO 838 Cb 1.14 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.14 3i7k h PRO 838 CO 0.44 0.60 0.32 1.05 -0.21 0.00 0.00 178.00 180.21 3i7k h GLU 839 N 0.49 0.47 -6.96 1.05 9.09 -2.03 -3.43 114.58 113.26 3i7k h GLU 839 Ca 0.13 -0.03 -0.48 0.00 0.05 0.00 0.00 59.36 59.03 3i7k h GLU 839 Cb 0.24 -0.11 0.02 0.00 -1.65 0.00 0.00 28.75 27.25 3i7k h GLU 839 CO -0.01 0.31 0.41 -1.21 0.05 0.00 0.00 179.01 178.56 3i7k s GLU 840 N -5.45 4.19 -0.16 1.06 2.02 -1.17 -5.00 118.70 114.21 3i7k s GLU 840 Ca -0.08 1.49 -0.19 0.00 0.02 0.00 0.00 54.97 56.21 3i7k s GLU 840 Cb 0.18 -2.55 -0.16 0.00 0.10 0.00 0.00 34.13 31.70 3i7k s GLU 840 CO 0.74 -0.11 0.32 0.00 0.02 0.00 0.00 175.26 176.23 3i7k h ALA 841 N 2.53 0.09 -3.80 5.21 0.00 -1.87 -3.47 119.26 117.96 3i7k h ALA 841 Ca -0.48 -0.66 -0.68 0.00 0.00 0.00 0.00 54.91 53.08 3i7k h ALA 841 Cb 1.21 0.33 -0.20 0.00 0.00 0.00 0.00 17.79 19.13 3i7k h ALA 841 CO 0.62 0.31 -0.75 -1.21 0.00 0.00 0.00 179.25 178.23 3i7k s GLU 842 N -2.16 2.41 0.48 0.00 2.02 -1.26 -5.14 118.70 115.04 3i7k s GLU 842 Ca -0.19 -0.79 -0.19 0.00 0.02 0.00 0.00 54.97 53.83 3i7k s GLU 842 Cb 0.01 -2.39 -0.09 0.00 0.10 0.00 0.00 34.13 31.76 3i7k s GLU 842 CO 0.48 0.59 0.98 -2.14 0.02 0.00 0.00 175.26 175.19 3i7k s PRO 843 N -1.27 4.02 0.00 0.39 0.02 -1.26 -5.00 135.00 131.90 3i7k s PRO 843 Ca 0.15 1.10 0.11 0.00 0.02 0.00 0.00 61.00 62.38 3i7k s PRO 843 Cb -0.11 -2.14 0.05 0.00 0.02 0.00 0.00 34.50 32.32 3i7k s PRO 843 CO 0.05 -0.22 0.77 1.63 -0.33 0.00 0.00 177.00 178.90 3i7k n LYS 844 N -1.09 1.22 -3.85 5.54 5.02 -1.26 -4.28 118.16 119.45 3i7k n LYS 844 Ca 0.07 -0.93 -0.12 0.00 -2.02 0.00 0.00 58.31 55.32 3i7k n LYS 844 Cb 0.54 -1.16 -0.13 0.00 -0.02 0.00 0.00 35.03 34.25 3i7k n LYS 844 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3i7k s GLN 845 N -1.14 0.12 0.18 1.97 -0.21 -1.26 -2.36 119.66 116.95 3i7k s GLN 845 Ca 0.11 0.04 -0.23 0.00 0.02 0.00 0.00 55.36 55.31 3i7k s GLN 845 Cb 0.09 0.05 0.08 0.00 1.00 0.00 0.00 33.01 34.23 3i7k s GLN 845 CO 0.20 -0.02 1.04 0.20 -2.12 0.00 0.00 175.29 174.59 3i7k s GLY 846 N -0.11 0.07 0.22 3.09 0.00 -0.53 0.10 107.32 110.17 3i7k s GLY 846 Ca -0.02 -0.28 -0.00 0.00 0.00 0.00 0.00 44.72 44.43 3i7k s GLY 846 CO 0.00 2.22 0.12 1.09 0.00 0.00 0.00 173.10 176.53 3i7k s ARG 847 N -2.27 1.28 -0.19 2.90 1.70 -1.26 -1.92 118.95 119.18 3i7k s ARG 847 Ca 0.21 -1.68 0.01 0.00 -0.47 0.00 0.00 55.73 53.80 3i7k s ARG 847 Cb -0.02 0.10 0.04 0.00 -0.57 0.00 0.00 34.95 34.50 3i7k s ARG 847 CO 0.05 -0.37 -0.09 0.42 -1.08 0.00 0.00 175.30 174.23 3i7k s ILE 848 N -4.02 1.56 -0.07 4.99 1.01 -0.47 -1.14 121.20 123.05 3i7k s ILE 848 Ca 0.39 -0.95 0.01 0.00 0.00 0.00 0.00 60.65 60.10 3i7k s ILE 848 Cb 0.07 -1.65 -0.03 0.00 0.01 0.00 0.00 42.46 40.86 3i7k s ILE 848 CO 0.13 0.16 -0.10 -0.69 0.00 0.00 0.00 174.94 174.44 3i7k s VAL 849 N 1.43 3.41 -0.19 2.92 1.01 -0.58 -1.48 120.40 126.93 3i7k s VAL 849 Ca -0.01 -0.58 -0.02 0.00 0.00 0.00 0.00 61.98 61.37 3i7k s VAL 849 Cb -0.16 -2.38 -0.01 0.00 0.00 0.00 0.00 36.38 33.83 3i7k s VAL 849 CO -0.08 0.58 -0.08 -0.69 0.00 0.00 0.00 175.10 174.83 3i7k s VAL 850 N -0.58 3.16 0.27 2.92 1.01 0.11 -1.44 120.40 125.86 3i7k s VAL 850 Ca 0.08 -0.58 0.12 0.00 0.00 0.00 0.00 61.98 61.60 3i7k s VAL 850 Cb -0.12 -2.40 -0.05 0.00 0.00 0.00 0.00 36.38 33.82 3i7k s VAL 850 CO 0.02 0.47 -0.19 -0.36 0.00 0.00 0.00 175.10 175.03 3i7k s PHE 851 N 1.10 2.31 -0.06 5.22 0.40 -0.82 -0.17 117.98 125.95 3i7k s PHE 851 Ca 0.01 -0.33 0.00 0.00 -0.60 0.00 0.00 56.93 56.01 3i7k s PHE 851 Cb -0.15 -1.01 0.02 0.00 0.51 0.00 0.00 43.02 42.40 3i7k s PHE 851 CO -0.02 0.70 -0.04 -1.14 0.70 0.00 0.00 175.22 175.43 3i7k s GLN 852 N -3.47 0.88 -0.34 0.44 0.74 0.41 -2.50 119.66 115.82 3i7k s GLN 852 Ca 0.30 -0.07 0.02 0.00 0.05 0.00 0.00 55.36 55.66 3i7k s GLN 852 Cb -0.05 -1.00 0.09 0.00 1.10 0.00 0.00 33.01 33.15 3i7k s GLN 852 CO 0.15 -0.17 0.05 -0.47 -0.55 0.00 0.00 175.29 174.30 3i7k s TYR 853 N 1.34 3.60 0.00 1.67 5.04 -1.26 0.11 117.35 127.85 3i7k s TYR 853 Ca -0.04 -2.66 0.00 0.00 -2.44 0.00 0.00 57.07 51.93 3i7k s TYR 853 Cb -0.13 -2.75 0.00 0.00 0.35 0.00 0.00 41.96 39.42 3i7k s TYR 853 CO -0.02 -0.93 0.00 -1.13 -1.34 0.00 0.00 175.55 172.13 3i7k n SER 854 N 4.39 0.32 0.00 4.32 3.41 -1.21 -4.83 113.62 120.02 3i7k n SER 854 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 3i7k n SER 854 Cb 0.42 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 3i7k n SER 854 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3i7k n ASP 855 N -2.37 0.00 -0.20 4.04 2.03 -1.26 -4.88 116.55 113.91 3i7k n ASP 855 Ca 0.00 0.00 0.02 0.00 0.52 0.00 0.00 54.79 55.33 3i7k n ASP 855 Cb 0.13 0.00 0.05 0.00 -0.72 0.00 0.00 41.12 40.58 3i7k n ASP 855 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3i7k n GLY 856 N 4.83 2.98 3.52 0.27 0.00 -1.26 -5.08 105.19 110.45 3i7k n GLY 856 Ca 0.00 -0.15 -0.13 0.00 0.00 0.00 0.00 46.02 45.74 3i7k n GLY 856 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i7k s LYS 857 N -1.06 1.83 -0.29 1.61 -2.85 -1.26 -5.08 119.74 112.64 3i7k s LYS 857 Ca 0.08 -1.63 -0.10 0.00 -1.00 0.00 0.00 55.97 53.32 3i7k s LYS 857 Cb 0.05 0.45 -0.03 0.00 -2.06 0.00 0.00 37.83 36.25 3i7k s LYS 857 CO 0.05 -0.76 0.16 -1.17 0.10 0.00 0.00 175.35 173.72 3i7k s LEU 858 N -3.18 4.00 -0.16 2.77 1.98 -1.25 -3.34 118.68 119.51 3i7k s LEU 858 Ca 0.28 -0.30 -0.01 0.00 -2.89 0.00 0.00 54.13 51.21 3i7k s LEU 858 Cb -0.00 -2.04 -0.01 0.00 0.66 0.00 0.00 46.19 44.79 3i7k s LEU 858 CO 0.17 -0.13 -0.11 -1.58 -1.89 0.00 0.00 176.35 172.82 3i7k s GLN 859 N 1.67 3.39 -0.59 1.98 0.74 0.29 -4.89 119.66 122.25 3i7k s GLN 859 Ca 0.06 -0.66 -0.28 0.00 0.05 0.00 0.00 55.36 54.53 3i7k s GLN 859 Cb -0.16 -2.74 0.02 0.00 1.10 0.00 0.00 33.01 31.22 3i7k s GLN 859 CO 0.08 0.09 1.35 0.99 -0.55 0.00 0.00 175.29 177.25 3i7k s THR 860 N 0.68 3.83 -0.07 -0.34 2.01 -1.26 0.16 115.64 120.64 3i7k s THR 860 Ca -0.05 0.68 -0.02 0.00 0.31 0.00 0.00 61.69 62.61 3i7k s THR 860 Cb -0.15 -4.57 -0.01 0.00 0.01 0.00 0.00 72.50 67.78 3i7k s THR 860 CO 0.02 -1.30 0.09 0.58 -0.69 0.00 0.00 174.62 173.32 3i7k h VAL 861 N 6.28 0.00 -3.69 3.82 2.07 -0.88 -3.49 116.25 120.37 3i7k h VAL 861 Ca -0.26 -0.73 -0.31 0.00 0.82 0.00 0.00 66.70 66.21 3i7k h VAL 861 Cb 1.08 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 30.68 3i7k h VAL 861 CO 1.19 0.00 -0.73 0.00 0.02 0.00 0.00 177.57 178.06 3i7k s ALA 862 N -2.82 1.15 0.01 1.67 0.00 -1.08 -4.98 121.76 115.71 3i7k s ALA 862 Ca -0.01 -1.24 0.03 0.00 0.00 0.00 0.00 51.96 50.74 3i7k s ALA 862 Cb 0.00 0.04 -0.01 0.00 0.00 0.00 0.00 23.12 23.15 3i7k s ALA 862 CO 0.03 -0.06 -0.11 -2.00 0.00 0.00 0.00 175.76 173.62 3i7k s GLU 863 N -3.00 0.78 -0.06 0.00 2.12 -1.26 -0.71 118.70 116.57 3i7k s GLU 863 Ca 0.07 -0.51 -0.03 0.00 0.36 0.00 0.00 54.97 54.86 3i7k s GLU 863 Cb -0.02 -0.74 0.04 0.00 0.26 0.00 0.00 34.13 33.67 3i7k s GLU 863 CO -0.00 0.19 0.13 0.21 -0.54 0.00 0.00 175.26 175.25 3i7k s LYS 864 N -0.67 0.05 0.26 4.30 2.47 -0.55 -4.86 119.74 120.74 3i7k s LYS 864 Ca 0.01 0.41 -0.16 0.00 -1.56 0.00 0.00 55.97 54.67 3i7k s LYS 864 Cb -0.06 -0.24 -0.08 0.00 -1.46 0.00 0.00 37.83 35.99 3i7k s LYS 864 CO 0.00 -0.22 0.70 -2.00 0.16 0.00 0.00 175.35 174.00 3i7k s GLU 865 N 1.55 4.09 -0.19 4.03 2.12 -1.26 -1.37 118.70 127.67 3i7k s GLU 865 Ca -0.05 0.71 -0.19 0.00 0.36 0.00 0.00 54.97 55.80 3i7k s GLU 865 Cb -0.12 -2.66 0.05 0.00 0.26 0.00 0.00 34.13 31.66 3i7k s GLU 865 CO -0.05 0.29 0.53 0.54 -0.54 0.00 0.00 175.26 176.03 3i7k s VAL 866 N -1.75 0.00 -0.26 3.70 0.11 -0.81 -4.92 120.40 116.48 3i7k s VAL 866 Ca 0.48 -0.02 -0.00 0.00 -2.93 0.00 0.00 61.98 59.51 3i7k s VAL 866 Cb -0.13 -0.75 0.19 0.00 -1.53 0.00 0.00 36.38 34.16 3i7k s VAL 866 CO 0.19 -0.01 1.93 0.29 -3.33 0.00 0.00 175.10 174.18 3i7k n LYS 867 N 2.66 1.66 -1.45 1.54 5.02 -1.26 -2.20 118.16 124.12 3i7k n LYS 867 Ca -0.14 -1.32 0.00 0.00 -2.02 0.00 0.00 58.31 54.83 3i7k n LYS 867 Cb 0.56 -1.52 0.00 0.00 -0.02 0.00 0.00 35.03 34.06 3i7k n LYS 867 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i7k n GLY 868 N 0.43 -0.65 3.71 0.72 0.00 -1.00 -4.37 105.19 104.03 3i7k n GLY 868 Ca 0.25 -0.53 -0.35 0.00 0.00 0.00 0.00 46.02 45.39 3i7k n GLY 868 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i7k s ALA 869 N -1.00 3.60 -1.20 4.61 0.00 -1.26 -1.45 121.76 125.06 3i7k s ALA 869 Ca 0.00 -0.71 -0.12 0.00 0.00 0.00 0.00 51.96 51.14 3i7k s ALA 869 Cb 0.00 -2.08 0.19 0.00 0.00 0.00 0.00 23.12 21.24 3i7k s ALA 869 CO 0.00 0.19 1.46 0.28 0.00 0.00 0.00 175.76 177.69 3i7k n VAL 870 N 3.45 4.37 -0.36 0.00 0.31 -0.24 -1.56 118.33 124.30 3i7k n VAL 870 Ca -0.16 -4.84 0.01 0.00 -0.01 0.00 0.00 64.34 59.34 3i7k n VAL 870 Cb 0.52 -2.45 0.15 0.00 -0.91 0.00 0.00 33.84 31.15 3i7k n VAL 870 CO 0.00 0.00 0.00 1.88 -1.32 0.00 0.00 176.83 177.39 3i7k h TYR 871 N 6.75 1.18 -3.55 3.52 -1.99 -1.60 -3.34 116.97 117.94 3i7k h TYR 871 Ca 0.30 0.03 -0.06 0.00 2.00 0.00 0.00 58.73 61.01 3i7k h TYR 871 Cb 0.82 -0.39 -0.12 0.00 2.00 0.00 0.00 36.73 39.04 3i7k h TYR 871 CO 1.06 0.65 -0.13 -1.54 -0.00 0.00 0.00 178.16 178.20 3i7k s SER 872 N -5.93 -0.13 0.17 3.88 1.04 -1.23 -4.55 113.70 106.94 3i7k s SER 872 Ca -0.13 -0.60 -0.23 0.00 0.48 0.00 0.00 55.95 55.47 3i7k s SER 872 Cb 0.19 0.50 0.07 0.00 0.10 0.00 0.00 66.02 66.88 3i7k s SER 872 CO 0.81 -0.95 0.62 0.00 0.98 0.00 0.00 173.24 174.71 3i7k s MET 873 N -3.90 1.32 -0.28 4.02 0.23 -1.26 -0.97 119.30 118.47 3i7k s MET 873 Ca 0.11 -0.52 -0.20 0.00 -1.03 0.00 0.00 55.69 54.05 3i7k s MET 873 Cb 0.01 0.59 0.09 0.00 -1.53 0.00 0.00 34.83 33.99 3i7k s MET 873 CO -0.04 -0.58 0.78 0.54 -2.03 0.00 0.00 175.02 173.68 3i7k s VAL 874 N -3.75 0.00 -0.04 5.16 0.11 -0.46 -4.91 120.40 116.50 3i7k s VAL 874 Ca 0.02 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 58.77 3i7k s VAL 874 Cb -0.02 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.78 3i7k s VAL 874 CO -0.11 0.00 1.50 -0.70 -3.33 0.00 0.00 175.10 172.46 3i7k s GLU 875 N 1.09 4.23 0.00 1.54 -6.30 -1.26 -1.71 118.70 116.29 3i7k s GLU 875 Ca -0.06 2.04 0.00 0.00 -2.50 0.00 0.00 54.97 54.45 3i7k s GLU 875 Cb -0.05 -3.77 0.00 0.00 0.00 0.00 0.00 34.13 30.32 3i7k s GLU 875 CO -0.12 -0.72 0.00 0.34 0.02 0.00 0.00 175.26 174.79 3i7k n PHE 876 N 6.27 0.00 -2.57 5.30 7.35 -0.45 -4.90 117.46 128.47 3i7k n PHE 876 Ca 0.15 0.00 -0.22 0.00 -0.76 0.00 0.00 57.45 56.62 3i7k n PHE 876 Cb 0.43 0.00 0.01 0.00 0.35 0.00 0.00 39.48 40.27 3i7k n PHE 876 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 3i7k n ASN 877 N 0.00 3.72 0.00 -2.13 3.02 -1.26 -4.79 115.26 113.82 3i7k n ASN 877 Ca 0.00 -3.43 0.00 0.00 -0.03 0.00 0.00 54.58 51.12 3i7k n ASN 877 Cb 0.00 -0.49 0.00 0.00 -0.61 0.00 0.00 39.78 38.68 3i7k n ASN 877 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i7k n GLY 878 N -0.34 1.50 3.85 7.41 0.00 -1.26 -4.98 105.19 111.37 3i7k n GLY 878 Ca 0.30 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.05 3i7k n GLY 878 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i7k s LYS 879 N -0.54 2.26 -0.30 1.61 1.02 -1.26 -0.38 119.74 122.14 3i7k s LYS 879 Ca 0.00 -2.03 -0.06 0.00 0.02 0.00 0.00 55.97 53.90 3i7k s LYS 879 Cb 0.00 -2.00 0.02 0.00 -0.52 0.00 0.00 37.83 35.34 3i7k s LYS 879 CO 0.00 -0.47 0.06 -1.17 -0.92 0.00 0.00 175.35 172.85 3i7k s LEU 880 N -4.14 3.90 -0.26 3.17 2.96 0.12 -1.35 118.68 123.08 3i7k s LEU 880 Ca 0.31 -0.91 -0.20 0.00 -0.22 0.00 0.00 54.13 53.11 3i7k s LEU 880 Cb -0.01 -1.83 -0.02 0.00 0.50 0.00 0.00 46.19 44.83 3i7k s LEU 880 CO 0.19 -0.23 0.61 -0.22 -1.32 0.00 0.00 176.35 175.37 3i7k s LEU 881 N 1.42 4.07 0.03 -0.68 2.96 -0.69 0.96 118.68 126.75 3i7k s LEU 881 Ca 0.00 0.63 0.06 0.00 -0.22 0.00 0.00 54.13 54.60 3i7k s LEU 881 Cb -0.18 -2.81 -0.02 0.00 0.50 0.00 0.00 46.19 43.68 3i7k s LEU 881 CO 0.01 -0.37 -0.17 0.00 -1.32 0.00 0.00 176.35 174.50 3i7k s ALA 882 N 2.49 1.40 -0.41 5.97 0.00 -0.41 -1.36 121.76 129.44 3i7k s ALA 882 Ca 0.25 -0.87 -0.06 0.00 0.00 0.00 0.00 51.96 51.28 3i7k s ALA 882 Cb -0.15 -0.27 0.10 0.00 0.00 0.00 0.00 23.12 22.79 3i7k s ALA 882 CO 0.09 0.30 0.22 0.45 0.00 0.00 0.00 175.76 176.83 3i7k s SER 883 N -0.98 5.41 -0.52 0.00 0.15 -0.14 -1.48 113.70 116.14 3i7k s SER 883 Ca 0.05 -1.78 -0.08 0.00 0.70 0.00 0.00 55.95 54.83 3i7k s SER 883 Cb -0.08 -1.89 0.13 0.00 -1.71 0.00 0.00 66.02 62.47 3i7k s SER 883 CO 0.01 -0.54 0.38 -0.63 1.20 0.00 0.00 173.24 173.66 3i7k s ILE 884 N 1.27 4.18 -0.97 6.45 1.01 0.14 -1.60 121.20 131.69 3i7k s ILE 884 Ca 0.05 -2.03 -0.09 0.00 0.00 0.00 0.00 60.65 58.58 3i7k s ILE 884 Cb -0.23 -3.74 -0.03 0.00 0.01 0.00 0.00 42.46 38.47 3i7k s ILE 884 CO -0.01 -0.81 0.79 -3.20 0.00 0.00 0.00 174.94 171.71 3i7k n ASN 885 N 4.61 -6.39 0.00 3.58 2.85 -0.60 -1.40 115.26 117.90 3i7k n ASN 885 Ca -0.03 -0.66 0.00 0.00 -0.11 0.00 0.00 54.58 53.77 3i7k n ASN 885 Cb 0.41 -4.34 0.00 0.00 1.24 0.00 0.00 39.78 37.09 3i7k n ASN 885 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 3i7k n SER 886 N -2.61 -1.43 -4.30 1.20 7.64 -1.25 -4.94 113.62 107.92 3i7k n SER 886 Ca -0.08 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.54 3i7k n SER 886 Cb 0.59 -0.98 -0.13 0.00 -1.01 0.00 0.00 64.21 62.67 3i7k n SER 886 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3i7k s THR 887 N -2.59 1.87 -0.13 0.44 2.01 -0.50 -2.23 115.64 114.51 3i7k s THR 887 Ca 0.00 -1.44 0.02 0.00 0.31 0.00 0.00 61.69 60.58 3i7k s THR 887 Cb 0.00 -1.65 0.01 0.00 0.01 0.00 0.00 72.50 70.88 3i7k s THR 887 CO 0.00 0.13 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.19 3i7k s VAL 888 N -0.96 1.75 -0.00 3.82 1.01 -0.99 0.28 120.40 125.30 3i7k s VAL 888 Ca 0.09 -0.79 0.02 0.00 0.00 0.00 0.00 61.98 61.31 3i7k s VAL 888 Cb -0.10 -1.58 -0.01 0.00 0.00 0.00 0.00 36.38 34.70 3i7k s VAL 888 CO 0.03 0.49 -0.07 -0.13 0.00 0.00 0.00 175.10 175.42 3i7k s ARG 889 N 1.00 0.55 -0.11 2.72 0.52 -0.55 -2.32 118.95 120.76 3i7k s ARG 889 Ca -0.05 -0.27 -0.10 0.00 -0.52 0.00 0.00 55.73 54.80 3i7k s ARG 889 Cb -0.15 -0.53 -0.05 0.00 0.52 0.00 0.00 34.95 34.75 3i7k s ARG 889 CO -0.03 0.14 0.21 -1.17 0.02 0.00 0.00 175.30 174.47 3i7k s LEU 890 N -0.22 4.36 -0.01 2.53 2.96 -1.26 -1.28 118.68 125.75 3i7k s LEU 890 Ca 0.02 0.54 0.08 0.00 -0.22 0.00 0.00 54.13 54.55 3i7k s LEU 890 Cb -0.03 -2.22 -0.02 0.00 0.50 0.00 0.00 46.19 44.42 3i7k s LEU 890 CO -0.00 0.31 -0.26 -0.31 -1.32 0.00 0.00 176.35 174.78 3i7k s TYR 891 N -0.62 2.29 -0.09 5.38 1.51 0.27 -4.50 117.35 121.60 3i7k s TYR 891 Ca 0.16 -0.43 -0.05 0.00 -1.01 0.00 0.00 57.07 55.74 3i7k s TYR 891 Cb -0.13 -1.47 -0.04 0.00 -0.11 0.00 0.00 41.96 40.22 3i7k s TYR 891 CO 0.05 -0.02 0.12 -2.00 -1.11 0.00 0.00 175.55 172.58 3i7k s GLU 892 N -0.66 3.33 -0.70 -0.62 2.12 0.99 -0.70 118.70 122.47 3i7k s GLU 892 Ca 0.10 -0.23 -0.07 0.00 0.36 0.00 0.00 54.97 55.13 3i7k s GLU 892 Cb -0.10 -3.09 0.18 0.00 0.26 0.00 0.00 34.13 31.39 3i7k s GLU 892 CO -0.01 0.74 0.56 -0.46 -0.54 0.00 0.00 175.26 175.55 3i7k s TRP 893 N -1.06 3.53 1.00 5.30 -0.11 -1.26 -0.52 118.94 125.81 3i7k s TRP 893 Ca 0.17 -2.46 -0.17 0.00 1.22 0.00 0.00 56.10 54.86 3i7k s TRP 893 Cb -0.12 -3.42 -0.14 0.00 -1.50 0.00 0.00 33.47 28.29 3i7k s TRP 893 CO 0.07 -0.89 -0.75 2.41 -4.62 0.00 0.00 176.95 173.16 3i7k n THR 894 N 3.66 0.00 0.54 5.86 -1.04 -0.02 -4.65 114.28 118.63 3i7k n THR 894 Ca 0.10 -0.46 0.12 0.00 -2.04 0.00 0.00 64.05 61.77 3i7k n THR 894 Cb 0.41 -0.04 0.24 0.00 -1.82 0.00 0.00 70.33 69.12 3i7k n THR 894 CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 3i7k h THR 895 N -1.04 0.00 -0.15 12.58 1.35 -1.97 -2.78 112.91 120.90 3i7k h THR 895 Ca -0.44 -0.54 0.00 0.00 -0.55 0.00 0.00 66.41 64.88 3i7k h THR 895 Cb 1.30 1.28 0.00 0.00 -1.73 0.00 0.00 68.15 69.01 3i7k h THR 895 CO 0.24 0.00 0.00 -0.62 -0.25 0.00 0.00 175.52 174.89 3i7k n GLU 896 N -2.25 1.97 -3.48 4.72 4.71 -1.26 -4.91 120.64 120.13 3i7k n GLU 896 Ca 0.04 -0.80 -0.18 0.00 -0.01 0.00 0.00 57.16 56.21 3i7k n GLU 896 Cb 0.45 -1.66 0.07 0.00 -1.01 0.00 0.00 31.44 29.28 3i7k n GLU 896 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 3i7k n LYS 897 N 0.15 -5.12 -4.68 3.49 5.02 -1.05 -5.03 118.16 110.95 3i7k n LYS 897 Ca 0.07 0.77 -0.24 0.00 -2.02 0.00 0.00 58.31 56.90 3i7k n LYS 897 Cb 0.47 -5.60 -0.15 0.00 -0.02 0.00 0.00 35.03 29.74 3i7k n LYS 897 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3i7k s ASP 898 N -4.14 2.00 -0.17 4.39 3.68 -1.26 -4.75 116.67 116.42 3i7k s ASP 898 Ca 0.11 -0.38 -0.09 0.00 2.13 0.00 0.00 52.55 54.32 3i7k s ASP 898 Cb -0.02 -0.19 -0.05 0.00 -1.45 0.00 0.00 42.92 41.21 3i7k s ASP 898 CO 0.76 0.16 0.13 0.68 0.13 0.00 0.00 175.17 177.04 3i7k s VAL 899 N -0.56 5.44 -0.04 1.11 -7.23 -1.26 -0.84 120.40 117.02 3i7k s VAL 899 Ca 0.06 0.20 -0.15 0.00 -1.81 0.00 0.00 61.98 60.27 3i7k s VAL 899 Cb -0.07 -3.45 0.03 0.00 0.56 0.00 0.00 36.38 33.45 3i7k s VAL 899 CO 0.00 0.50 0.35 0.00 -0.31 0.00 0.00 175.10 175.64 3i7k s ARG 900 N -0.08 0.64 0.33 4.82 1.70 0.32 -4.92 118.95 121.76 3i7k s ARG 900 Ca 0.10 -0.00 0.09 0.00 -0.47 0.00 0.00 55.73 55.45 3i7k s ARG 900 Cb -0.11 0.29 -0.06 0.00 -0.57 0.00 0.00 34.95 34.50 3i7k s ARG 900 CO -0.00 -0.16 -0.08 -0.08 -1.08 0.00 0.00 175.30 173.89 3i7k s THR 901 N -0.98 2.08 -0.69 4.99 -1.32 -1.26 -0.00 115.64 118.46 3i7k s THR 901 Ca -0.10 -2.18 -0.13 0.00 -1.21 0.00 0.00 61.69 58.06 3i7k s THR 901 Cb -0.04 -2.60 0.18 0.00 -1.51 0.00 0.00 72.50 68.52 3i7k s THR 901 CO 0.04 -0.22 0.62 -1.61 -2.21 0.00 0.00 174.62 171.23 3i7k s GLU 902 N -3.64 3.22 0.36 7.08 2.02 -1.26 -4.97 118.70 121.51 3i7k s GLU 902 Ca 0.32 -2.19 0.10 0.00 0.02 0.00 0.00 54.97 53.22 3i7k s GLU 902 Cb 0.03 -4.27 0.55 0.00 0.10 0.00 0.00 34.13 30.54 3i7k s GLU 902 CO 0.15 -1.28 1.18 0.00 0.02 0.00 0.00 175.26 175.33 3i7k n ASN 904 N -2.05 1.76 -4.19 0.00 2.85 -1.26 -4.69 115.26 107.69 3i7k n ASN 904 Ca -0.01 -1.54 -0.41 0.00 -0.11 0.00 0.00 54.58 52.52 3i7k n ASN 904 Cb 0.47 0.03 -0.07 0.00 1.24 0.00 0.00 39.78 41.45 3i7k n ASN 904 CO 0.00 0.00 0.00 -1.00 -2.11 0.00 0.00 177.26 174.15 3i7k s HIS 905 N -2.06 3.54 0.00 1.20 3.76 0.37 -5.01 115.29 117.10 3i7k s HIS 905 Ca 0.34 -2.40 0.00 0.00 -0.15 0.00 0.00 55.06 52.85 3i7k s HIS 905 Cb 0.21 -3.45 0.00 0.00 1.11 0.00 0.00 32.58 30.45 3i7k s HIS 905 CO 0.35 -0.90 0.00 2.48 -0.85 0.00 0.00 174.74 175.82 3i7k n TYR 906 N 3.73 -0.10 -3.72 1.40 0.18 -1.26 -4.47 117.16 112.91 3i7k n TYR 906 Ca 0.09 0.00 -0.13 0.00 1.88 0.00 0.00 57.90 59.74 3i7k n TYR 906 Cb 0.41 0.00 -0.10 0.00 -0.38 0.00 0.00 39.34 39.28 3i7k n TYR 906 CO 0.00 0.00 0.00 1.21 -2.08 0.00 0.00 176.86 175.99 3i7k s ASN 907 N 0.31 -0.44 -1.00 9.48 3.84 -0.98 -4.83 114.94 121.32 3i7k s ASN 907 Ca 0.00 0.81 -0.03 0.00 0.21 0.00 0.00 52.86 53.85 3i7k s ASN 907 Cb 0.00 0.83 0.29 0.00 -0.55 0.00 0.00 41.25 41.82 3i7k s ASN 907 CO 0.00 -0.18 1.31 0.59 -2.79 0.00 0.00 177.10 176.02 3i7k n ASN 908 N 2.68 5.84 -4.03 -4.21 3.02 -1.26 -2.34 115.26 114.95 3i7k n ASN 908 Ca -0.14 -3.38 -0.17 0.00 -0.03 0.00 0.00 54.58 50.86 3i7k n ASN 908 Cb 0.57 -1.17 -0.14 0.00 -0.61 0.00 0.00 39.78 38.43 3i7k n ASN 908 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3i7k s ILE 909 N -2.57 0.66 -1.10 2.41 1.01 -0.95 -4.99 121.20 115.66 3i7k s ILE 909 Ca 0.32 -0.56 -0.06 0.00 0.00 0.00 0.00 60.65 60.35 3i7k s ILE 909 Cb 0.05 -0.59 0.29 0.00 0.01 0.00 0.00 42.46 42.22 3i7k s ILE 909 CO 0.06 0.04 1.36 0.80 0.00 0.00 0.00 174.94 177.20 3i7k n MET 910 N 2.47 4.11 -2.10 2.79 0.00 -1.26 -2.17 117.12 120.97 3i7k n MET 910 Ca -0.16 -4.49 -0.34 0.00 -0.00 0.00 0.00 57.70 52.71 3i7k n MET 910 Cb 0.56 -2.54 -0.04 0.00 0.00 0.00 0.00 33.22 31.20 3i7k n MET 910 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3i7k n ALA 911 N 1.92 2.51 0.02 -5.12 0.00 -1.21 -4.14 120.51 114.49 3i7k n ALA 911 Ca 0.26 -3.28 0.00 0.00 0.00 0.00 0.00 53.44 50.42 3i7k n ALA 911 Cb 0.35 -3.53 0.31 0.00 0.00 0.00 0.00 19.45 16.58 3i7k n ALA 911 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3i7k h LEU 912 N 15.86 0.44 -8.36 0.00 6.46 -1.92 -3.39 115.31 124.39 3i7k h LEU 912 Ca 0.31 -0.09 -0.48 0.00 -0.12 0.00 0.00 57.88 57.50 3i7k h LEU 912 Cb 0.89 -0.12 -0.26 0.00 -0.73 0.00 0.00 40.66 40.44 3i7k h LEU 912 CO 1.37 0.54 -0.81 -0.31 -0.62 0.00 0.00 178.44 178.62 3i7k s TYR 913 N -4.89 1.37 -0.07 1.25 1.51 -1.26 -4.77 117.35 110.48 3i7k s TYR 913 Ca -0.07 -0.34 -0.06 0.00 -1.01 0.00 0.00 57.07 55.58 3i7k s TYR 913 Cb 0.15 -0.82 0.02 0.00 -0.11 0.00 0.00 41.96 41.20 3i7k s TYR 913 CO 0.76 0.04 0.19 -1.17 -1.11 0.00 0.00 175.55 174.27 3i7k s LEU 914 N -1.03 1.18 0.05 -1.29 2.96 -1.26 -3.25 118.68 116.04 3i7k s LEU 914 Ca 0.03 0.39 -0.06 0.00 -0.22 0.00 0.00 54.13 54.28 3i7k s LEU 914 Cb -0.08 0.65 -0.01 0.00 0.50 0.00 0.00 46.19 47.26 3i7k s LEU 914 CO 0.01 -0.08 0.11 -0.54 -1.32 0.00 0.00 176.35 174.53 3i7k s LYS 915 N 0.23 0.64 -0.03 1.98 -0.14 -0.64 -4.98 119.74 116.79 3i7k s LYS 915 Ca -0.01 -0.81 0.05 0.00 -1.36 0.00 0.00 55.97 53.83 3i7k s LYS 915 Cb -0.02 0.25 -0.01 0.00 -1.68 0.00 0.00 37.83 36.37 3i7k s LYS 915 CO -0.01 -0.17 -0.17 0.99 -0.76 0.00 0.00 175.35 175.24 3i7k s THR 916 N -2.91 1.36 -0.20 2.17 2.01 -1.26 -1.67 115.64 115.13 3i7k s THR 916 Ca -0.02 -0.71 -0.12 0.00 0.31 0.00 0.00 61.69 61.15 3i7k s THR 916 Cb 0.01 -1.15 -0.05 0.00 0.01 0.00 0.00 72.50 71.32 3i7k s THR 916 CO -0.06 0.39 0.23 -0.54 -0.69 0.00 0.00 174.62 173.94 3i7k s LYS 917 N -0.20 4.17 0.37 4.92 1.02 -1.22 -4.96 119.74 123.83 3i7k s LYS 917 Ca 0.02 -0.08 0.10 0.00 0.02 0.00 0.00 55.97 56.03 3i7k s LYS 917 Cb -0.09 -3.48 0.35 0.00 -0.52 0.00 0.00 37.83 34.09 3i7k s LYS 917 CO 0.00 0.15 0.70 0.41 -0.92 0.00 0.00 175.35 175.69 3i7k n GLY 918 N 3.80 -0.39 0.00 -3.33 0.00 -1.26 -3.72 105.19 100.29 3i7k n GLY 918 Ca -0.13 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3i7k n GLY 918 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3i7k n ASP 919 N -2.16 0.00 -2.26 1.61 2.03 -1.26 -4.92 116.55 109.58 3i7k n ASP 919 Ca 0.09 0.00 -0.28 0.00 0.52 0.00 0.00 54.79 55.12 3i7k n ASP 919 Cb 0.79 0.00 0.14 0.00 -0.72 0.00 0.00 41.12 41.33 3i7k n ASP 919 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 3i7k n PHE 920 N -0.30 3.12 -4.27 -0.67 3.01 -1.25 -4.97 117.46 112.13 3i7k n PHE 920 Ca 0.00 -2.33 -0.28 0.00 1.01 0.00 0.00 57.45 55.86 3i7k n PHE 920 Cb 0.00 -1.15 -0.06 0.00 -0.01 0.00 0.00 39.48 38.26 3i7k n PHE 920 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 3i7k s ILE 921 N -3.90 1.78 -0.30 4.37 1.01 -1.24 0.72 121.20 123.64 3i7k s ILE 921 Ca 0.60 -1.74 -0.17 0.00 0.00 0.00 0.00 60.65 59.34 3i7k s ILE 921 Cb 0.49 -2.52 0.19 0.00 0.01 0.00 0.00 42.46 40.63 3i7k s ILE 921 CO 0.06 0.00 1.19 -0.22 0.00 0.00 0.00 174.94 175.97 3i7k s LEU 922 N -3.99 -0.19 -0.25 2.97 2.96 -0.59 -3.46 118.68 116.13 3i7k s LEU 922 Ca 0.29 0.28 -0.10 0.00 -0.22 0.00 0.00 54.13 54.39 3i7k s LEU 922 Cb 0.02 1.25 -0.04 0.00 0.50 0.00 0.00 46.19 47.92 3i7k s LEU 922 CO 0.16 -0.04 0.14 -0.69 -1.32 0.00 0.00 176.35 174.60 3i7k s VAL 923 N 1.44 5.04 0.06 1.68 1.01 -0.67 -1.03 120.40 127.92 3i7k s VAL 923 Ca -0.06 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.00 3i7k s VAL 923 Cb -0.02 -3.36 0.00 0.00 0.00 0.00 0.00 36.38 33.00 3i7k s VAL 923 CO -0.13 0.33 0.03 0.61 0.00 0.00 0.00 175.10 175.93 3i7k n GLY 924 N 4.60 3.44 2.83 4.51 0.00 -0.79 -1.63 105.19 118.16 3i7k n GLY 924 Ca -0.15 -2.20 -0.14 0.00 0.00 0.00 0.00 46.02 43.52 3i7k n GLY 924 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3i7k s ASP 925 N -1.32 -0.00 0.00 1.61 -1.08 -1.20 -3.22 116.67 111.46 3i7k s ASP 925 Ca 0.02 0.14 0.00 0.00 -0.52 0.00 0.00 52.55 52.19 3i7k s ASP 925 Cb -0.00 0.03 0.00 0.00 -1.46 0.00 0.00 42.92 41.49 3i7k s ASP 925 CO 0.01 -0.14 0.00 -0.11 0.52 0.00 0.00 175.17 175.46 3i7k n LEU 926 N 4.20 0.00 -3.42 -1.34 7.94 -1.24 -3.30 117.00 119.83 3i7k n LEU 926 Ca -0.27 0.00 -0.37 0.00 -1.11 0.00 0.00 56.01 54.26 3i7k n LEU 926 Cb 0.51 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.46 3i7k n LEU 926 CO 0.20 0.00 1.08 0.23 -1.11 0.00 0.00 177.39 177.79 3i7k n MET 927 N 0.00 4.76 -2.67 1.96 2.81 -1.26 -4.58 117.12 118.15 3i7k n MET 927 Ca 0.00 -4.69 -0.03 0.00 -1.81 0.00 0.00 57.70 51.17 3i7k n MET 927 Cb 0.00 -2.40 0.00 0.00 -0.71 0.00 0.00 33.22 30.11 3i7k n MET 927 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 3i7k n ARG 928 N -0.13 -1.48 -3.63 0.03 5.12 -1.26 -4.95 116.66 110.35 3i7k n ARG 928 Ca 0.43 1.55 -0.03 0.00 -1.93 0.00 0.00 57.85 57.87 3i7k n ARG 928 Cb 0.30 -4.89 -0.02 0.00 -1.16 0.00 0.00 32.46 26.69 3i7k n ARG 928 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3i7k s SER 929 N -2.55 -0.05 -0.17 0.55 1.04 -1.22 -2.90 113.70 108.41 3i7k s SER 929 Ca 0.10 0.01 -0.09 0.00 0.48 0.00 0.00 55.95 56.45 3i7k s SER 929 Cb -0.03 0.05 -0.05 0.00 0.10 0.00 0.00 66.02 66.09 3i7k s SER 929 CO 0.61 -0.07 0.12 -0.69 0.98 0.00 0.00 173.24 174.19 3i7k s VAL 930 N -1.92 5.33 0.13 5.02 1.01 -1.26 -3.64 120.40 125.07 3i7k s VAL 930 Ca 0.11 0.16 0.08 0.00 0.00 0.00 0.00 61.98 62.32 3i7k s VAL 930 Cb -0.01 -3.40 -0.04 0.00 0.00 0.00 0.00 36.38 32.94 3i7k s VAL 930 CO -0.04 0.49 -0.19 -0.76 0.00 0.00 0.00 175.10 174.61 3i7k s LEU 931 N -0.04 2.36 -0.14 3.92 1.43 -1.20 -1.16 118.68 123.85 3i7k s LEU 931 Ca 0.09 -0.76 0.01 0.00 -1.03 0.00 0.00 54.13 52.45 3i7k s LEU 931 Cb -0.11 -0.83 0.02 0.00 0.03 0.00 0.00 46.19 45.30 3i7k s LEU 931 CO -0.00 0.00 -0.17 -0.22 0.23 0.00 0.00 176.35 176.19 3i7k s LEU 932 N -2.23 1.86 0.00 1.79 2.96 0.70 -1.88 118.68 121.87 3i7k s LEU 932 Ca 0.10 -0.53 0.03 0.00 -0.22 0.00 0.00 54.13 53.51 3i7k s LEU 932 Cb -0.08 -1.27 -0.01 0.00 0.50 0.00 0.00 46.19 45.33 3i7k s LEU 932 CO 0.05 -0.00 -0.10 -0.76 -1.32 0.00 0.00 176.35 174.22 3i7k s LEU 933 N 1.22 2.05 0.09 -0.68 1.02 -0.20 -1.87 118.68 120.31 3i7k s LEU 933 Ca 0.00 -0.23 0.10 0.00 0.02 0.00 0.00 54.13 54.02 3i7k s LEU 933 Cb -0.14 -0.48 -0.03 0.00 0.02 0.00 0.00 46.19 45.56 3i7k s LEU 933 CO -0.08 0.09 -0.26 0.00 0.02 0.00 0.00 176.35 176.12 3i7k s ALA 934 N -0.37 2.22 -0.03 4.21 0.00 -0.37 -1.54 121.76 125.89 3i7k s ALA 934 Ca 0.03 -1.34 -0.30 0.00 0.00 0.00 0.00 51.96 50.34 3i7k s ALA 934 Cb -0.05 -0.40 -0.03 0.00 0.00 0.00 0.00 23.12 22.65 3i7k s ALA 934 CO -0.00 0.51 1.15 -0.47 0.00 0.00 0.00 175.76 176.94 3i7k s TYR 935 N -0.96 3.34 -0.32 0.00 5.04 0.22 0.15 117.35 124.83 3i7k s TYR 935 Ca 0.12 1.34 0.01 0.00 -2.44 0.00 0.00 57.07 56.09 3i7k s TYR 935 Cb -0.10 -3.36 0.07 0.00 0.35 0.00 0.00 41.96 38.93 3i7k s TYR 935 CO 0.04 -1.01 0.02 0.15 -1.34 0.00 0.00 175.55 173.41 3i7k s LYS 936 N 1.79 2.10 0.33 4.97 -0.14 -0.56 -4.90 119.74 123.33 3i7k s LYS 936 Ca 0.55 -1.52 0.26 0.00 -1.36 0.00 0.00 55.97 53.91 3i7k s LYS 936 Cb -0.24 -3.18 0.95 0.00 -1.68 0.00 0.00 37.83 33.67 3i7k s LYS 936 CO 0.24 -0.76 1.77 -1.00 -0.76 0.00 0.00 175.35 174.85 3i7k h PRO 937 N 7.86 0.00 -0.83 -1.68 0.13 -1.95 -2.13 132.00 133.40 3i7k h PRO 937 Ca -0.15 0.00 0.18 0.00 -0.87 0.00 0.00 66.00 65.16 3i7k h PRO 937 Cb 1.04 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.06 3i7k h PRO 937 CO 0.54 0.00 0.34 1.98 -0.23 0.00 0.00 178.00 180.63 3i7k h MET 938 N 0.00 0.41 -0.23 0.86 4.05 -1.95 -1.61 114.93 116.45 3i7k h MET 938 Ca 0.00 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.40 3i7k h MET 938 Cb 0.57 -0.09 0.00 0.00 -0.80 0.00 0.00 31.60 31.27 3i7k h MET 938 CO 0.00 0.27 0.00 0.39 0.23 0.00 0.00 176.91 177.80 3i7k n GLU 939 N -5.03 2.22 -3.35 0.39 1.02 -0.85 -4.95 120.64 110.10 3i7k n GLU 939 Ca 0.18 -2.03 -0.24 0.00 -0.02 0.00 0.00 57.16 55.05 3i7k n GLU 939 Cb 0.54 -1.45 0.02 0.00 -0.02 0.00 0.00 31.44 30.54 3i7k n GLU 939 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i7k n GLY 940 N 1.29 -0.51 0.39 0.62 0.00 -0.61 -4.89 105.19 101.47 3i7k n GLY 940 Ca 0.16 0.14 -0.03 0.00 0.00 0.00 0.00 46.02 46.29 3i7k n GLY 940 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3i7k n ASN 941 N -2.53 0.26 -4.21 1.61 5.15 -1.01 -4.82 115.26 109.70 3i7k n ASN 941 Ca -0.04 -1.26 -0.27 0.00 -0.60 0.00 0.00 54.58 52.41 3i7k n ASN 941 Cb 0.57 0.17 -0.16 0.00 -0.53 0.00 0.00 39.78 39.84 3i7k n ASN 941 CO 0.00 0.00 0.00 0.72 1.40 0.00 0.00 177.26 179.38 3i7k s PHE 942 N -2.02 1.82 -0.01 1.20 -0.12 -1.26 -1.49 117.98 116.10 3i7k s PHE 942 Ca 0.04 -0.34 0.01 0.00 -0.05 0.00 0.00 56.93 56.59 3i7k s PHE 942 Cb 0.00 -1.17 -0.04 0.00 -0.63 0.00 0.00 43.02 41.19 3i7k s PHE 942 CO 0.03 -0.03 -0.00 -2.00 -0.05 0.00 0.00 175.22 173.17 3i7k s GLU 943 N -0.49 2.80 -1.33 1.99 2.12 0.41 -4.89 118.70 119.30 3i7k s GLU 943 Ca 0.08 -0.59 -0.12 0.00 0.36 0.00 0.00 54.97 54.69 3i7k s GLU 943 Cb -0.08 -2.67 0.11 0.00 0.26 0.00 0.00 34.13 31.75 3i7k s GLU 943 CO -0.01 0.63 1.92 -1.91 -0.54 0.00 0.00 175.26 175.35 3i7k n GLU 944 N 1.48 3.29 -0.31 4.30 2.13 -1.26 -1.24 120.64 129.03 3i7k n GLU 944 Ca -0.15 -3.24 0.07 0.00 0.66 0.00 0.00 57.16 54.51 3i7k n GLU 944 Cb 0.53 -3.13 0.18 0.00 0.27 0.00 0.00 31.44 29.29 3i7k n GLU 944 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 3i7k h ILE 945 N 4.16 0.15 -2.74 6.31 2.04 -1.73 -3.45 117.51 122.24 3i7k h ILE 945 Ca 0.45 -0.01 0.07 0.00 1.00 0.00 0.00 64.86 66.37 3i7k h ILE 945 Cb 0.69 0.12 -0.10 0.00 -0.74 0.00 0.00 36.82 36.79 3i7k h ILE 945 CO 1.64 0.01 0.32 0.00 0.00 0.00 0.00 178.15 180.12 3i7k s ALA 946 N -6.14 -1.54 -0.03 1.87 0.00 -1.06 -4.35 121.76 110.52 3i7k s ALA 946 Ca -0.14 0.27 -0.09 0.00 0.00 0.00 0.00 51.96 52.00 3i7k s ALA 946 Cb 0.25 0.74 0.01 0.00 0.00 0.00 0.00 23.12 24.13 3i7k s ALA 946 CO 0.77 -0.89 0.21 0.50 0.00 0.00 0.00 175.76 176.35 3i7k s ARG 947 N -3.60 0.47 -0.53 0.00 3.52 -0.27 -0.22 118.95 118.32 3i7k s ARG 947 Ca 0.07 -0.13 -0.19 0.00 -0.13 0.00 0.00 55.73 55.35 3i7k s ARG 947 Cb -0.03 0.20 0.08 0.00 -1.56 0.00 0.00 34.95 33.64 3i7k s ARG 947 CO -0.03 -0.11 0.64 0.34 -0.81 0.00 0.00 175.30 175.33 3i7k s ASP 948 N -0.91 6.20 1.04 -2.12 2.15 -0.31 0.10 116.67 122.82 3i7k s ASP 948 Ca -0.10 -1.12 -0.03 0.00 0.43 0.00 0.00 52.55 51.73 3i7k s ASP 948 Cb -0.05 -2.29 0.04 0.00 -0.30 0.00 0.00 42.92 40.32 3i7k s ASP 948 CO 0.02 -0.96 0.15 0.49 -0.17 0.00 0.00 175.17 174.70 3i7k n PHE 949 N 6.17 -3.04 -1.95 -5.34 3.01 -1.26 -4.10 117.46 110.94 3i7k n PHE 949 Ca -0.08 -0.14 -0.02 0.00 1.01 0.00 0.00 57.45 58.23 3i7k n PHE 949 Cb 0.44 -0.16 -0.01 0.00 -0.01 0.00 0.00 39.48 39.74 3i7k n PHE 949 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 3i7k n ASN 950 N -3.27 -3.71 -4.83 4.37 5.15 -1.26 -4.95 115.26 106.75 3i7k n ASN 950 Ca 0.02 0.93 -0.33 0.00 -0.60 0.00 0.00 54.58 54.61 3i7k n ASN 950 Cb 0.08 -3.46 -0.06 0.00 -0.53 0.00 0.00 39.78 35.82 3i7k n ASN 950 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3i7k s PRO 951 N -1.01 4.11 -0.28 1.20 0.04 -1.26 -4.87 135.00 132.93 3i7k s PRO 951 Ca -0.08 1.00 -0.10 0.00 0.04 0.00 0.00 61.00 61.85 3i7k s PRO 951 Cb 0.01 -2.21 0.11 0.00 0.04 0.00 0.00 34.50 32.45 3i7k s PRO 951 CO 0.23 -0.07 0.61 -0.80 0.04 0.00 0.00 177.00 177.01 3i7k s ASN 952 N -2.47 -0.96 -1.11 6.66 0.01 -1.14 -5.01 114.94 110.92 3i7k s ASN 952 Ca 0.60 1.46 -0.22 0.00 -0.71 0.00 0.00 52.86 53.99 3i7k s ASN 952 Cb -0.09 1.98 0.04 0.00 0.41 0.00 0.00 41.25 43.59 3i7k s ASN 952 CO 0.19 -0.22 1.60 0.26 -1.51 0.00 0.00 177.10 177.42 3i7k s TRP 953 N 2.63 2.53 0.60 2.20 0.52 -1.26 -3.36 118.94 122.80 3i7k s TRP 953 Ca -0.06 -0.92 -0.19 0.00 0.02 0.00 0.00 56.10 54.95 3i7k s TRP 953 Cb -0.11 -4.64 -0.03 0.00 -1.15 0.00 0.00 33.47 27.54 3i7k s TRP 953 CO -0.18 -1.85 1.21 -1.64 0.02 0.00 0.00 176.95 174.51 3i7k s MET 954 N 4.96 2.91 0.00 4.98 -1.94 -1.26 -0.11 119.30 128.84 3i7k s MET 954 Ca 0.51 1.84 0.00 0.00 -1.71 0.00 0.00 55.69 56.33 3i7k s MET 954 Cb 0.01 -1.92 0.00 0.00 2.01 0.00 0.00 34.83 34.93 3i7k s MET 954 CO -0.03 -1.26 0.00 -1.13 -0.01 0.00 0.00 175.02 172.59 3i7k n SER 955 N -1.67 3.40 -3.53 3.03 3.41 0.26 -4.75 113.62 113.77 3i7k n SER 955 Ca 0.14 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.70 3i7k n SER 955 Cb 0.50 0.64 -0.00 0.00 -0.26 0.00 0.00 64.21 65.09 3i7k n SER 955 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i7k s ALA 956 N -1.40 -1.37 -0.28 7.33 0.00 -1.21 -4.62 121.76 120.21 3i7k s ALA 956 Ca 0.00 -0.24 -0.22 0.00 0.00 0.00 0.00 51.96 51.50 3i7k s ALA 956 Cb 0.00 0.72 0.12 0.00 0.00 0.00 0.00 23.12 23.96 3i7k s ALA 956 CO 0.00 -1.04 0.98 0.08 0.00 0.00 0.00 175.76 175.79 3i7k s VAL 957 N -2.98 0.00 -0.12 0.00 1.01 -1.26 -2.41 120.40 114.65 3i7k s VAL 957 Ca 0.15 0.00 -0.17 0.00 0.00 0.00 0.00 61.98 61.95 3i7k s VAL 957 Cb -0.03 -1.00 0.04 0.00 0.00 0.00 0.00 36.38 35.39 3i7k s VAL 957 CO 0.06 0.00 0.45 -0.70 0.00 0.00 0.00 175.10 174.90 3i7k s GLU 958 N 0.57 0.63 -0.24 2.72 2.56 0.92 -4.82 118.70 121.04 3i7k s GLU 958 Ca -0.01 0.38 -0.29 0.00 0.00 0.00 0.00 54.97 55.05 3i7k s GLU 958 Cb -0.05 0.30 0.01 0.00 2.00 0.00 0.00 34.13 36.39 3i7k s GLU 958 CO -0.09 -0.13 1.05 0.42 -0.56 0.00 0.00 175.26 175.96 3i7k s ILE 959 N -0.34 4.65 -0.16 -3.70 1.01 -1.26 0.68 121.20 122.08 3i7k s ILE 959 Ca -0.05 1.98 -0.20 0.00 0.00 0.00 0.00 60.65 62.38 3i7k s ILE 959 Cb -0.03 -4.32 -0.17 0.00 0.01 0.00 0.00 42.46 37.95 3i7k s ILE 959 CO 0.03 -0.23 0.34 -0.07 0.00 0.00 0.00 174.94 175.00 3i7k h LEU 960 N 9.56 0.00 0.00 2.97 3.38 -1.58 -3.48 115.31 126.16 3i7k h LEU 960 Ca -0.19 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 57.23 3i7k h LEU 960 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 3i7k h LEU 960 CO 0.99 1.07 0.00 -0.90 0.09 0.00 0.00 178.44 179.69 3i7k n ASP 961 N -4.57 0.00 0.18 -0.43 3.85 -1.16 -5.02 116.55 109.40 3i7k n ASP 961 Ca -0.16 0.00 0.14 0.00 -0.71 0.00 0.00 54.79 54.06 3i7k n ASP 961 Cb 0.45 0.00 0.52 0.00 -1.35 0.00 0.00 41.12 40.74 3i7k n ASP 961 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.20 176.63 3i7k h ASP 962 N 0.00 0.00 0.00 -1.12 3.32 -2.03 -3.22 116.42 113.37 3i7k h ASP 962 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3i7k h ASP 962 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3i7k h ASP 962 CO 0.00 0.00 0.00 0.47 -1.72 0.00 0.00 179.24 177.99 3i7k n ASP 963 N -2.58 0.34 -4.01 6.45 8.00 -1.26 -5.00 116.55 118.48 3i7k n ASP 963 Ca 0.02 -0.65 -0.23 0.00 0.71 0.00 0.00 54.79 54.64 3i7k n ASP 963 Cb 0.30 0.55 -0.16 0.00 -0.02 0.00 0.00 41.12 41.79 3i7k n ASP 963 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 3i7k s ASN 964 N -0.55 1.58 -0.12 -2.24 0.01 -1.22 -2.37 114.94 110.03 3i7k s ASN 964 Ca 0.00 -0.26 -0.02 0.00 -0.71 0.00 0.00 52.86 51.88 3i7k s ASN 964 Cb 0.00 -0.64 0.04 0.00 0.41 0.00 0.00 41.25 41.06 3i7k s ASN 964 CO 0.00 0.04 -0.00 -0.36 -1.51 0.00 0.00 177.10 175.27 3i7k s PHE 965 N 0.52 0.97 0.07 2.20 0.40 0.14 -1.32 117.98 120.96 3i7k s PHE 965 Ca -0.11 -0.54 -0.25 0.00 -0.60 0.00 0.00 56.93 55.44 3i7k s PHE 965 Cb -0.14 -0.97 -0.06 0.00 0.51 0.00 0.00 43.02 42.36 3i7k s PHE 965 CO 0.02 -0.47 0.75 -1.17 0.70 0.00 0.00 175.22 175.06 3i7k s LEU 966 N 1.87 4.48 0.12 -0.37 0.20 0.21 -1.26 118.68 123.93 3i7k s LEU 966 Ca 0.03 1.47 0.05 0.00 0.69 0.00 0.00 54.13 56.36 3i7k s LEU 966 Cb -0.14 -3.22 -0.04 0.00 -0.43 0.00 0.00 46.19 42.36 3i7k s LEU 966 CO -0.07 0.06 -0.11 -0.83 -0.29 0.00 0.00 176.35 175.11 3i7k s GLY 967 N -0.30 0.98 0.09 7.98 0.00 0.77 -0.05 107.32 116.79 3i7k s GLY 967 Ca 0.37 -1.31 0.03 0.00 0.00 0.00 0.00 44.72 43.82 3i7k s GLY 967 CO 0.23 -1.38 -0.09 0.00 0.00 0.00 0.00 173.10 171.86 3i7k s ALA 968 N -2.59 1.00 0.11 3.20 0.00 -1.01 -1.03 121.76 121.43 3i7k s ALA 968 Ca 0.10 -1.17 -0.15 0.00 0.00 0.00 0.00 51.96 50.74 3i7k s ALA 968 Cb -0.02 0.07 0.03 0.00 0.00 0.00 0.00 23.12 23.19 3i7k s ALA 968 CO 0.01 -0.09 0.37 -2.00 0.00 0.00 0.00 175.76 174.05 3i7k s GLU 969 N -2.88 1.00 0.54 0.00 -6.30 -1.08 -0.58 118.70 109.41 3i7k s GLU 969 Ca 0.05 -0.69 0.24 0.00 -2.50 0.00 0.00 54.97 52.07 3i7k s GLU 969 Cb -0.02 0.44 0.82 0.00 0.00 0.00 0.00 34.13 35.37 3i7k s GLU 969 CO -0.01 -0.38 1.16 -1.71 0.02 0.00 0.00 175.26 174.34 3i7k n ASN 970 N -0.07 0.00 -1.38 -1.70 2.85 0.85 -1.19 115.26 114.63 3i7k n ASN 970 Ca -0.16 0.68 -0.02 0.00 -0.11 0.00 0.00 54.58 54.97 3i7k n ASN 970 Cb 0.63 -0.23 0.25 0.00 1.24 0.00 0.00 39.78 41.66 3i7k n ASN 970 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3i7k n ALA 971 N -2.15 4.03 -1.99 5.20 0.00 -1.26 -4.92 120.51 119.42 3i7k n ALA 971 Ca 0.21 -2.63 -0.20 0.00 0.00 0.00 0.00 53.44 50.83 3i7k n ALA 971 Cb 1.38 -0.92 -0.05 0.00 0.00 0.00 0.00 19.45 19.86 3i7k n ALA 971 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3i7k n PHE 972 N -0.66 -0.49 -3.91 0.00 3.01 -0.33 -4.82 117.46 110.27 3i7k n PHE 972 Ca 0.33 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 58.47 3i7k n PHE 972 Cb 1.13 -3.58 -0.04 0.00 -0.01 0.00 0.00 39.48 36.98 3i7k n PHE 972 CO 0.00 0.00 0.00 -0.80 1.01 0.00 0.00 176.76 176.97 3i7k s ASN 973 N -2.44 6.37 0.20 4.37 0.01 -1.25 -0.90 114.94 121.29 3i7k s ASN 973 Ca 0.00 0.32 0.06 0.00 -0.71 0.00 0.00 52.86 52.53 3i7k s ASN 973 Cb 0.00 -1.99 -0.04 0.00 0.41 0.00 0.00 41.25 39.64 3i7k s ASN 973 CO 0.00 0.23 0.18 -0.76 -1.51 0.00 0.00 177.10 175.24 3i7k s LEU 974 N -2.15 3.85 -0.09 0.60 1.43 0.17 -2.62 118.68 119.87 3i7k s LEU 974 Ca 0.30 -0.16 -0.27 0.00 -1.03 0.00 0.00 54.13 52.97 3i7k s LEU 974 Cb -0.13 -2.43 0.06 0.00 0.03 0.00 0.00 46.19 43.73 3i7k s LEU 974 CO 0.22 0.02 0.63 0.72 0.23 0.00 0.00 176.35 178.17 3i7k s PHE 975 N -1.92 -0.62 -0.23 0.29 -0.12 -0.19 -2.96 117.98 112.23 3i7k s PHE 975 Ca 0.32 1.17 -0.04 0.00 -0.05 0.00 0.00 56.93 58.33 3i7k s PHE 975 Cb -0.09 0.34 -0.00 0.00 -0.63 0.00 0.00 43.02 42.63 3i7k s PHE 975 CO 0.24 -0.53 -0.04 0.08 -0.05 0.00 0.00 175.22 174.93 3i7k s VAL 976 N -0.87 3.34 -0.09 -2.49 1.01 -0.86 -0.17 120.40 120.27 3i7k s VAL 976 Ca -0.09 -0.58 -0.09 0.00 0.00 0.00 0.00 61.98 61.22 3i7k s VAL 976 Cb -0.02 -2.56 -0.04 0.00 0.00 0.00 0.00 36.38 33.76 3i7k s VAL 976 CO 0.07 0.37 0.20 0.00 0.00 0.00 0.00 175.10 175.74 3i7k s GLN 978 N -1.02 0.32 -0.03 0.00 0.74 -0.31 -0.69 119.66 118.68 3i7k s GLN 978 Ca 0.17 -0.57 -0.22 0.00 0.05 0.00 0.00 55.36 54.79 3i7k s GLN 978 Cb -0.13 0.03 -0.05 0.00 1.10 0.00 0.00 33.01 33.96 3i7k s GLN 978 CO 0.06 -0.03 0.64 -1.59 -0.55 0.00 0.00 175.29 173.82 3i7k s LYS 979 N -1.32 4.38 0.29 1.67 -2.85 -1.00 0.09 119.74 121.00 3i7k s LYS 979 Ca -0.13 0.79 -0.30 0.00 -1.00 0.00 0.00 55.97 55.33 3i7k s LYS 979 Cb -0.09 -3.38 -0.12 0.00 -2.06 0.00 0.00 37.83 32.17 3i7k s LYS 979 CO -0.01 0.25 1.51 -3.47 0.10 0.00 0.00 175.35 173.73 3i7k n ASP 980 N 3.13 3.44 -3.13 0.03 -0.08 -1.26 -4.93 116.55 113.75 3i7k n ASP 980 Ca -0.05 1.16 -0.34 0.00 -1.51 0.00 0.00 54.79 54.05 3i7k n ASP 980 Cb 0.51 -1.54 -0.00 0.00 2.34 0.00 0.00 41.12 42.43 3i7k n ASP 980 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 3i7k n SER 981 N 1.93 6.03 -3.08 1.67 2.88 -1.26 -4.93 113.62 116.86 3i7k n SER 981 Ca 0.09 -3.72 -0.11 0.00 -1.33 0.00 0.00 58.87 53.80 3i7k n SER 981 Cb 0.35 -0.84 0.00 0.00 -0.75 0.00 0.00 64.21 62.97 3i7k n SER 981 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3i7k s ALA 982 N -3.89 -0.27 1.42 -1.46 0.00 -1.26 -5.19 121.76 111.12 3i7k s ALA 982 Ca 0.46 -0.98 -0.21 0.00 0.00 0.00 0.00 51.96 51.22 3i7k s ALA 982 Cb 0.29 0.84 0.33 0.00 0.00 0.00 0.00 23.12 24.58 3i7k s ALA 982 CO -0.18 -0.92 0.76 0.00 0.00 0.00 0.00 175.76 175.41 3i7k n ALA 983 N -0.54 -4.54 -4.20 0.00 0.00 -1.26 -4.24 120.51 105.73 3i7k n ALA 983 Ca -0.05 -1.34 -0.34 0.00 0.00 0.00 0.00 53.44 51.71 3i7k n ALA 983 Cb 0.60 -0.12 -0.04 0.00 0.00 0.00 0.00 19.45 19.90 3i7k n ALA 983 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3i7k n THR 984 N -5.45 -1.39 -0.25 0.00 -2.24 -1.26 -4.69 114.28 99.00 3i7k n THR 984 Ca 0.12 -0.16 -0.20 0.00 -2.27 0.00 0.00 64.05 61.55 3i7k n THR 984 Cb 0.52 -1.74 -0.05 0.00 -2.10 0.00 0.00 70.33 66.96 3i7k n THR 984 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3i7k n THR 985 N -4.38 0.13 -1.34 4.28 -2.24 -1.26 -2.20 114.28 107.27 3i7k n THR 985 Ca -0.04 -0.09 -0.00 0.00 -2.27 0.00 0.00 64.05 61.65 3i7k n THR 985 Cb 0.55 -1.74 -0.00 0.00 -2.10 0.00 0.00 70.33 67.03 3i7k n THR 985 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3i7k n ASP 986 N 6.62 -0.06 0.03 3.42 -0.08 -1.26 -4.85 116.55 120.37 3i7k n ASP 986 Ca 0.21 -0.19 0.00 0.00 -1.51 0.00 0.00 54.79 53.30 3i7k n ASP 986 Cb 0.18 0.02 0.00 0.00 2.34 0.00 0.00 41.12 43.66 3i7k n ASP 986 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 3i7k n GLU 987 N 0.00 0.00 0.21 -0.67 4.07 -0.93 -4.88 120.64 118.43 3i7k n GLU 987 Ca -0.02 0.00 0.15 0.00 -0.06 0.00 0.00 57.16 57.23 3i7k n GLU 987 Cb 0.18 0.00 0.64 0.00 -0.06 0.00 0.00 31.44 32.20 3i7k n GLU 987 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 3i7k h GLU 988 N 0.00 0.00 0.00 5.31 5.08 -1.83 -2.59 114.58 120.55 3i7k h GLU 988 Ca 0.00 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 3i7k h GLU 988 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 3i7k h GLU 988 CO 0.00 0.00 -0.66 -0.09 -1.00 0.00 0.00 179.01 177.26 3i7k h ARG 989 N 0.00 0.00 0.00 2.33 9.65 -1.85 -3.25 114.38 121.26 3i7k h ARG 989 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 3i7k h ARG 989 Cb 0.35 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.93 3i7k h ARG 989 CO 0.00 0.27 0.00 0.94 2.80 0.00 0.00 179.97 183.98 3i7k n GLN 990 N -3.04 0.18 -3.64 0.20 -0.06 -0.98 -4.54 117.38 105.50 3i7k n GLN 990 Ca -0.00 0.24 -0.39 0.00 -2.00 0.00 0.00 57.00 54.84 3i7k n GLN 990 Cb 0.68 -1.75 -0.11 0.00 -4.06 0.00 0.00 30.24 25.01 3i7k n GLN 990 CO 0.00 0.00 0.00 -1.01 -0.20 0.00 0.00 177.06 175.85 3i7k s HIS 991 N -3.13 3.32 0.65 3.69 3.76 -1.23 -1.12 115.29 121.23 3i7k s HIS 991 Ca 0.09 -1.50 -0.11 0.00 -0.15 0.00 0.00 55.06 53.39 3i7k s HIS 991 Cb 0.12 -2.77 -0.02 0.00 1.11 0.00 0.00 32.58 31.02 3i7k s HIS 991 CO 0.51 -0.81 1.05 -0.48 -0.85 0.00 0.00 174.74 174.16 3i7k s LEU 992 N 1.42 3.13 -0.02 0.89 0.05 0.28 -4.36 118.68 120.07 3i7k s LEU 992 Ca 0.02 1.34 0.03 0.00 0.05 0.00 0.00 54.13 55.57 3i7k s LEU 992 Cb -0.22 -4.31 -0.00 0.00 -2.05 0.00 0.00 46.19 39.61 3i7k s LEU 992 CO 0.02 -1.02 -0.09 -1.10 -0.55 0.00 0.00 176.35 173.60 3i7k s GLN 993 N -5.23 0.90 -0.80 1.48 -0.21 0.11 -4.58 119.66 111.33 3i7k s GLN 993 Ca 0.56 -0.33 -0.25 0.00 0.02 0.00 0.00 55.36 55.36 3i7k s GLN 993 Cb -0.11 -0.85 -0.06 0.00 1.00 0.00 0.00 33.01 32.99 3i7k s GLN 993 CO 0.53 0.16 2.03 -1.21 -2.12 0.00 0.00 175.29 174.69 3i7k s GLU 994 N 0.00 2.38 0.34 2.91 2.02 -1.26 -1.16 118.70 123.94 3i7k s GLU 994 Ca -0.00 0.13 0.21 0.00 0.02 0.00 0.00 54.97 55.33 3i7k s GLU 994 Cb -0.06 -4.85 0.19 0.00 0.10 0.00 0.00 34.13 29.51 3i7k s GLU 994 CO 0.00 -3.41 1.43 -0.39 0.02 0.00 0.00 175.26 172.90 3i7k h VAL 995 N 7.28 0.20 -3.92 2.63 -1.51 -1.23 -3.46 116.25 116.23 3i7k h VAL 995 Ca -0.01 -1.29 -0.33 0.00 -1.23 0.00 0.00 66.70 63.84 3i7k h VAL 995 Cb 1.05 1.99 -0.28 0.00 -2.13 0.00 0.00 31.29 31.92 3i7k h VAL 995 CO 1.18 0.11 -0.76 -0.83 -1.23 0.00 0.00 177.57 176.04 3i7k s GLY 996 N -4.32 0.28 0.07 5.19 0.00 -1.12 -4.25 107.32 103.16 3i7k s GLY 996 Ca 0.04 -0.25 0.00 0.00 0.00 0.00 0.00 44.72 44.51 3i7k s GLY 996 CO 0.72 -0.22 -0.04 1.08 0.00 0.00 0.00 173.10 174.64 3i7k s LEU 997 N -0.17 2.48 0.00 0.66 1.43 0.22 -2.04 118.68 121.26 3i7k s LEU 997 Ca 0.02 -0.98 0.00 0.00 -1.03 0.00 0.00 54.13 52.14 3i7k s LEU 997 Cb -0.02 0.09 0.00 0.00 0.03 0.00 0.00 46.19 46.28 3i7k s LEU 997 CO -0.00 -0.53 0.00 0.33 0.23 0.00 0.00 176.35 176.38 3i7k n PHE 998 N 0.13 0.00 -2.75 0.29 7.35 -1.16 -2.03 117.46 119.30 3i7k n PHE 998 Ca -0.14 0.00 -0.43 0.00 -0.76 0.00 0.00 57.45 56.12 3i7k n PHE 998 Cb 0.61 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 40.40 3i7k n PHE 998 CO 0.00 0.00 0.00 -1.58 -0.76 0.00 0.00 176.76 174.42 3i7k s HIS 999 N 0.00 2.85 0.01 -5.13 5.65 0.13 -0.65 115.29 118.15 3i7k s HIS 999 Ca 0.00 0.42 0.03 0.00 0.25 0.00 0.00 55.06 55.76 3i7k s HIS 999 Cb 0.00 -4.15 -0.25 0.00 -1.18 0.00 0.00 32.58 27.00 3i7k s HIS 999 CO 0.00 -1.21 0.86 1.25 -0.65 0.00 0.00 174.74 174.99 3i7k h LEU 1000N 10.90 0.22 0.00 8.88 7.12 -1.33 -3.42 115.31 137.68 3i7k h LEU 1000Ca -0.24 -0.32 0.00 0.00 0.13 0.00 0.00 57.88 57.45 3i7k h LEU 1000Cb 1.07 -0.07 0.00 0.00 -0.53 0.00 0.00 40.66 41.13 3i7k h LEU 1000CO 1.07 1.27 0.00 0.61 -0.13 0.00 0.00 178.44 181.27 3i7k n GLY 1001N 1.59 0.55 3.52 3.75 0.00 -0.64 -5.04 105.19 108.92 3i7k n GLY 1001Ca -0.14 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.63 3i7k n GLY 1001CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i7k s GLU 1002N -0.12 1.77 -0.39 1.61 0.41 -1.26 -4.98 118.70 115.73 3i7k s GLU 1002Ca 0.00 -1.93 -0.10 0.00 -0.41 0.00 0.00 54.97 52.53 3i7k s GLU 1002Cb 0.00 -1.50 0.05 0.00 -1.78 0.00 0.00 34.13 30.90 3i7k s GLU 1002CO 0.00 0.06 0.22 0.12 -0.49 0.00 0.00 175.26 175.16 3i7k s PHE 1003N -2.78 3.29 0.02 1.61 5.36 -1.26 -4.25 117.98 119.96 3i7k s PHE 1003Ca 0.33 -1.29 -0.27 0.00 -0.96 0.00 0.00 56.93 54.73 3i7k s PHE 1003Cb 0.05 -2.66 -0.04 0.00 -0.34 0.00 0.00 43.02 40.03 3i7k s PHE 1003CO 0.16 -0.76 0.84 0.08 -1.46 0.00 0.00 175.22 174.08 3i7k s VAL 1004N 1.47 4.81 -0.03 3.12 1.01 -1.26 -2.11 120.40 127.42 3i7k s VAL 1004Ca 0.02 1.78 0.12 0.00 0.00 0.00 0.00 61.98 63.89 3i7k s VAL 1004Cb -0.21 -4.19 -0.18 0.00 0.00 0.00 0.00 36.38 31.80 3i7k s VAL 1004CO 0.04 0.27 0.24 0.59 0.00 0.00 0.00 175.10 176.24 3i7k n ASN 1005N 3.36 2.29 -3.65 3.32 3.02 -0.26 -4.11 115.26 119.22 3i7k n ASN 1005Ca 0.01 0.00 -0.06 0.00 -0.03 0.00 0.00 54.58 54.50 3i7k n ASN 1005Cb 0.51 1.46 -0.07 0.00 -0.61 0.00 0.00 39.78 41.07 3i7k n ASN 1005CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3i7k s VAL 1006N -2.77 -0.26 0.11 2.41 0.11 -1.19 -4.85 120.40 113.96 3i7k s VAL 1006Ca -0.04 0.02 0.03 0.00 -2.93 0.00 0.00 61.98 59.06 3i7k s VAL 1006Cb 0.07 -0.92 -0.04 0.00 -1.53 0.00 0.00 36.38 33.96 3i7k s VAL 1006CO 0.49 0.01 0.13 -0.36 -3.33 0.00 0.00 175.10 172.04 3i7k s PHE 1007N 1.94 3.25 -0.28 1.54 0.40 -1.26 -0.67 117.98 122.90 3i7k s PHE 1007Ca -0.09 0.08 -0.22 0.00 -0.60 0.00 0.00 56.93 56.11 3i7k s PHE 1007Cb -0.07 -1.61 0.08 0.00 0.51 0.00 0.00 43.02 41.93 3i7k s PHE 1007CO -0.18 0.53 0.76 0.00 0.70 0.00 0.00 175.22 177.03 3i7k n HIS 1009N 3.22 2.71 0.00 0.00 8.25 -1.26 -2.15 115.22 125.98 3i7k n HIS 1009Ca -0.16 0.30 0.00 0.00 -0.26 0.00 0.00 57.72 57.60 3i7k n HIS 1009Cb 0.57 -2.57 0.00 0.00 1.12 0.00 0.00 29.99 29.11 3i7k n HIS 1009CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3i7k n GLY 1010N 2.11 3.38 3.09 -1.41 0.00 -1.06 -4.79 105.19 106.52 3i7k n GLY 1010Ca 0.09 -1.07 -0.10 0.00 0.00 0.00 0.00 46.02 44.94 3i7k n GLY 1010CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i7k s SER 1011N 0.00 0.11 -0.12 1.61 0.15 -1.26 -4.15 113.70 110.04 3i7k s SER 1011Ca 0.00 -0.36 0.13 0.00 0.70 0.00 0.00 55.95 56.42 3i7k s SER 1011Cb 0.00 0.20 0.57 0.00 -1.71 0.00 0.00 66.02 65.07 3i7k s SER 1011CO 0.00 -0.41 1.42 0.18 1.20 0.00 0.00 173.24 175.63 3i7k n LEU 1012N 1.25 3.99 -0.05 3.45 4.77 -1.26 -4.00 117.00 125.15 3i7k n LEU 1012Ca -0.22 -2.02 -0.09 0.00 -0.03 0.00 0.00 56.01 53.65 3i7k n LEU 1012Cb 0.56 -0.55 -0.03 0.00 -2.33 0.00 0.00 43.42 41.07 3i7k n LEU 1012CO 0.21 0.60 -0.62 0.52 -1.33 0.00 0.00 177.39 176.77 3i7k n VAL 1013N 0.68 1.16 -1.21 4.08 0.31 -1.26 -4.56 118.33 117.53 3i7k n VAL 1013Ca 0.20 0.08 -0.38 0.00 -0.01 0.00 0.00 64.34 64.23 3i7k n VAL 1013Cb 0.79 -1.89 0.01 0.00 -0.91 0.00 0.00 33.84 31.85 3i7k n VAL 1013CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 3i7k n MET 1014N -3.89 0.00 -0.09 5.55 0.00 -1.26 -4.93 117.12 112.51 3i7k n MET 1014Ca -0.16 0.00 -0.12 0.00 -0.00 0.00 0.00 57.70 57.42 3i7k n MET 1014Cb 0.45 -0.98 0.00 0.00 0.00 0.00 0.00 33.22 32.69 3i7k n MET 1014CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 175.97 176.34 3i7k h GLN 1015N -0.06 0.84 -0.90 2.12 -0.00 -1.92 -3.36 115.11 111.83 3i7k h GLN 1015Ca -0.40 -0.46 0.19 0.00 -0.00 0.00 0.00 58.65 57.98 3i7k h GLN 1015Cb 1.41 0.02 -0.27 0.00 0.00 0.00 0.00 27.48 28.65 3i7k h GLN 1015CO 0.40 1.10 0.42 -2.14 0.00 0.00 0.00 178.83 178.61 3i7k s PRO 1023N -4.30 0.20 0.46 -2.39 0.02 -1.26 -3.88 135.00 123.86 3i7k s PRO 1023Ca -0.10 0.45 0.07 0.00 0.02 0.00 0.00 61.00 61.43 3i7k s PRO 1023Cb 0.11 0.20 -0.01 0.00 0.02 0.00 0.00 34.50 34.82 3i7k s PRO 1023CO 0.87 -0.06 0.35 0.95 -0.33 0.00 0.00 177.00 178.78 3i7k s THR 1024N 1.89 2.22 -0.17 0.99 -4.23 -1.26 -5.13 115.64 109.94 3i7k s THR 1024Ca -0.04 -1.47 -0.02 0.00 -1.18 0.00 0.00 61.69 58.98 3i7k s THR 1024Cb -0.04 -2.69 -0.01 0.00 1.34 0.00 0.00 72.50 71.11 3i7k s THR 1024CO -0.15 0.00 -0.09 -1.58 -0.54 0.00 0.00 174.62 172.26 3i7k s GLN 1025N -4.14 3.39 0.00 3.99 2.00 -1.18 -5.02 119.66 118.70 3i7k s GLN 1025Ca 0.42 -0.65 0.00 0.00 -2.00 0.00 0.00 55.36 53.13 3i7k s GLN 1025Cb -0.01 -2.82 0.00 0.00 0.80 0.00 0.00 33.01 30.98 3i7k s GLN 1025CO 0.24 0.02 0.00 0.41 -0.50 0.00 0.00 175.29 175.47 3i7k n GLY 1026N 4.12 2.00 3.15 2.59 0.00 -1.26 -0.52 105.19 115.27 3i7k n GLY 1026Ca -0.18 -2.02 0.05 0.00 0.00 0.00 0.00 46.02 43.87 3i7k n GLY 1026CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i7k s SER 1027N 0.00 -0.74 -0.19 1.61 0.15 -1.25 -4.69 113.70 108.59 3i7k s SER 1027Ca 0.00 0.17 0.01 0.00 0.70 0.00 0.00 55.95 56.83 3i7k s SER 1027Cb 0.00 1.50 0.04 0.00 -1.71 0.00 0.00 66.02 65.85 3i7k s SER 1027CO 0.00 -0.14 -0.12 -0.69 1.20 0.00 0.00 173.24 173.49 3i7k s VAL 1028N 2.92 1.70 0.40 4.45 1.01 0.52 -2.56 120.40 128.84 3i7k s VAL 1028Ca 0.18 -0.97 -0.12 0.00 0.00 0.00 0.00 61.98 61.07 3i7k s VAL 1028Cb -0.06 -1.72 -0.07 0.00 0.00 0.00 0.00 36.38 34.53 3i7k s VAL 1028CO -0.21 0.25 0.79 -0.76 0.00 0.00 0.00 175.10 175.16 3i7k s LEU 1029N 1.39 3.84 0.00 3.92 1.43 -0.91 -0.60 118.68 127.74 3i7k s LEU 1029Ca 0.00 1.20 -0.05 0.00 -1.03 0.00 0.00 54.13 54.24 3i7k s LEU 1029Cb -0.15 -4.07 -0.00 0.00 0.03 0.00 0.00 46.19 41.99 3i7k s LEU 1029CO -0.09 -0.39 0.10 0.72 0.23 0.00 0.00 176.35 176.92 3i7k s PHE 1030N -2.34 0.06 0.15 0.29 -0.12 -0.79 -1.23 117.98 114.00 3i7k s PHE 1030Ca 0.52 -0.16 0.10 0.00 -0.05 0.00 0.00 56.93 57.35 3i7k s PHE 1030Cb -0.10 -0.07 -0.04 0.00 -0.63 0.00 0.00 43.02 42.18 3i7k s PHE 1030CO 0.29 -0.24 -0.23 0.20 -0.05 0.00 0.00 175.22 175.19 3i7k s GLY 1031N -1.22 1.52 0.21 1.99 0.00 0.15 -0.49 107.32 109.48 3i7k s GLY 1031Ca -0.13 -1.49 0.07 0.00 0.00 0.00 0.00 44.72 43.17 3i7k s GLY 1031CO 0.01 -1.50 -0.12 -1.59 0.00 0.00 0.00 173.10 169.90 3i7k s THR 1032N -1.46 1.63 0.08 0.90 2.01 -1.26 -1.11 115.64 116.44 3i7k s THR 1032Ca 0.15 -2.17 -0.18 0.00 0.31 0.00 0.00 61.69 59.79 3i7k s THR 1032Cb -0.09 -2.11 -0.08 0.00 0.01 0.00 0.00 72.50 70.23 3i7k s THR 1032CO 0.07 -0.55 1.50 0.58 -0.69 0.00 0.00 174.62 175.54 3i7k h VAL 1033N 2.53 1.27 0.00 3.82 2.07 -1.66 0.13 116.25 124.40 3i7k h VAL 1033Ca -0.38 -0.99 0.00 0.00 0.82 0.00 0.00 66.70 66.15 3i7k h VAL 1033Cb 1.22 1.40 0.00 0.00 -1.52 0.00 0.00 31.29 32.39 3i7k h VAL 1033CO 0.63 0.31 0.00 0.59 0.02 0.00 0.00 177.57 179.12 3i7k n ASN 1034N -4.59 0.00 -0.09 0.57 5.03 -1.26 -2.68 115.26 112.25 3i7k n ASN 1034Ca -0.03 0.39 0.00 0.00 0.87 0.00 0.00 54.58 55.80 3i7k n ASN 1034Cb 0.27 -0.44 0.00 0.00 -1.02 0.00 0.00 39.78 38.59 3i7k n ASN 1034CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3i7k n GLY 1035N -0.28 1.09 0.09 7.41 0.00 -1.05 -0.81 105.19 111.63 3i7k n GLY 1035Ca 0.04 -0.43 -0.17 0.00 0.00 0.00 0.00 46.02 45.46 3i7k n GLY 1035CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 3i7k h MET 1036N 0.00 0.05 -4.47 1.61 -1.53 -1.80 -3.37 114.93 105.42 3i7k h MET 1036Ca 0.00 -0.08 0.00 0.00 -3.44 0.00 0.00 59.70 56.19 3i7k h MET 1036Cb 0.52 0.03 -0.07 0.00 -0.55 0.00 0.00 31.60 31.54 3i7k h MET 1036CO 0.00 1.04 -1.12 -0.89 0.14 0.00 0.00 176.91 176.07 3i7k n ILE 1037N -4.48-11.30 -4.15 1.77 5.41 -1.19 -3.08 119.36 102.34 3i7k n ILE 1037Ca -0.16 2.43 -0.27 0.00 1.00 0.00 0.00 62.75 65.75 3i7k n ILE 1037Cb 0.58 -5.84 -0.04 0.00 -0.71 0.00 0.00 39.64 33.63 3i7k n ILE 1037CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 3i7k s GLY 1038N -0.52 2.52 -0.01 7.39 0.00 0.36 -1.54 107.32 115.52 3i7k s GLY 1038Ca -0.15 -1.25 -0.01 0.00 0.00 0.00 0.00 44.72 43.31 3i7k s GLY 1038CO 0.40 -1.99 0.04 -2.27 0.00 0.00 0.00 173.10 169.27 3i7k s LEU 1039N -4.09 1.88 -0.02 0.66 2.96 -0.51 -1.88 118.68 117.68 3i7k s LEU 1039Ca 0.29 -0.00 0.02 0.00 -0.22 0.00 0.00 54.13 54.22 3i7k s LEU 1039Cb 0.00 0.15 0.00 0.00 0.50 0.00 0.00 46.19 46.85 3i7k s LEU 1039CO 0.17 -0.06 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.38 3i7k s VAL 1040N -0.22 0.60 0.08 1.68 1.01 0.23 -1.96 120.40 121.82 3i7k s VAL 1040Ca -0.03 -0.28 -0.04 0.00 0.00 0.00 0.00 61.98 61.63 3i7k s VAL 1040Cb -0.02 -0.54 -0.02 0.00 0.00 0.00 0.00 36.38 35.80 3i7k s VAL 1040CO -0.00 0.19 0.07 -0.89 0.00 0.00 0.00 175.10 174.47 3i7k s THR 1041N 0.10 0.18 0.27 3.92 2.01 -0.50 -0.36 115.64 121.26 3i7k s THR 1041Ca -0.01 -1.55 -0.05 0.00 0.31 0.00 0.00 61.69 60.39 3i7k s THR 1041Cb -0.06 -1.50 -0.05 0.00 0.01 0.00 0.00 72.50 70.90 3i7k s THR 1041CO -0.00 -0.80 0.53 -0.44 -0.69 0.00 0.00 174.62 173.22 3i7k s SER 1042N -2.91 6.45 0.00 3.53 0.01 0.32 -0.67 113.70 120.43 3i7k s SER 1042Ca 0.08 0.68 0.00 0.00 1.31 0.00 0.00 55.95 58.02 3i7k s SER 1042Cb 0.07 -2.13 0.00 0.00 0.21 0.00 0.00 66.02 64.17 3i7k s SER 1042CO -0.09 -0.17 0.00 0.18 0.41 0.00 0.00 173.24 173.57 3i7k n LEU 1043N -0.84 0.00 -3.63 2.44 4.77 -0.27 -3.11 117.00 116.35 3i7k n LEU 1043Ca -0.02 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.87 3i7k n LEU 1043Cb 0.54 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.56 3i7k n LEU 1043CO 0.48 0.00 0.75 -0.94 -1.33 0.00 0.00 177.39 176.35 3i7k s SER 1044N 0.87 -0.44 0.00 -1.43 1.04 -1.26 -4.83 113.70 107.65 3i7k s SER 1044Ca 0.00 0.82 0.00 0.00 0.48 0.00 0.00 55.95 57.25 3i7k s SER 1044Cb 0.00 0.83 0.00 0.00 0.10 0.00 0.00 66.02 66.95 3i7k s SER 1044CO 0.00 -0.16 0.00 -1.84 0.98 0.00 0.00 173.24 172.22 3i7k n GLU 1045N 2.11 0.00 0.25 4.02 0.00 -1.26 -1.16 120.64 124.60 3i7k n GLU 1045Ca -0.12 0.00 -0.12 0.00 0.00 0.00 0.00 57.16 56.92 3i7k n GLU 1045Cb 0.56 0.00 -0.06 0.00 0.00 0.00 0.00 31.44 31.94 3i7k n GLU 1045CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 3i7k h SER 1046N 0.00 -0.73 -0.24 -1.84 4.64 -1.99 -1.77 113.55 111.62 3i7k h SER 1046Ca 0.00 0.04 0.05 0.00 -0.47 0.00 0.00 61.79 61.41 3i7k h SER 1046Cb 0.00 0.21 -0.07 0.00 -0.31 0.00 0.00 62.40 62.23 3i7k h SER 1046CO 0.00 -0.44 -0.48 -0.50 -0.87 0.00 0.00 176.83 174.53 3i7k h TRP 1047N -0.71 -1.42 -0.74 4.77 4.06 -1.56 0.40 115.95 120.75 3i7k h TRP 1047Ca -0.06 0.06 0.14 0.00 2.06 0.00 0.00 58.89 61.09 3i7k h TRP 1047Cb 0.57 0.65 -0.09 0.00 -1.00 0.00 0.00 29.16 29.29 3i7k h TRP 1047CO -0.02 -0.50 0.28 -0.92 -3.56 0.00 0.00 178.44 173.73 3i7k h TYR 1048N -0.47 0.48 0.05 0.49 3.20 -1.38 1.36 116.97 120.69 3i7k h TYR 1048Ca 0.08 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.98 3i7k h TYR 1048Cb 0.63 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.80 3i7k h TYR 1048CO -0.59 0.05 -0.02 -0.91 -1.64 0.00 0.00 178.16 175.06 3i7k h ASN 1049N 0.42 -0.05 -0.21 -2.11 2.35 -0.62 0.33 115.58 115.69 3i7k h ASN 1049Ca 0.40 -0.40 0.06 0.00 -0.55 0.00 0.00 56.30 55.81 3i7k h ASN 1049Cb 0.61 0.01 -0.07 0.00 0.05 0.00 0.00 38.32 38.93 3i7k h ASN 1049CO -0.40 0.38 -0.25 0.25 -1.65 0.00 0.00 177.43 175.75 3i7k h LEU 1050N -0.49 -0.81 -1.02 1.61 6.46 0.95 0.65 115.31 122.66 3i7k h LEU 1050Ca -0.01 0.14 -0.06 0.00 -0.12 0.00 0.00 57.88 57.83 3i7k h LEU 1050Cb 0.45 0.37 -0.02 0.00 -0.73 0.00 0.00 40.66 40.72 3i7k h LEU 1050CO 0.01 -0.29 0.07 -0.07 -0.62 0.00 0.00 178.44 177.54 3i7k h LEU 1051N -0.28 0.73 -1.08 2.25 3.38 0.18 0.31 115.31 120.80 3i7k h LEU 1051Ca 0.12 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 3i7k h LEU 1051Cb 0.47 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 3i7k h LEU 1051CO -0.37 0.76 0.16 0.25 0.09 0.00 0.00 178.44 179.33 3i7k h LEU 1052N 0.75 0.76 0.91 1.67 6.46 0.50 0.11 115.31 126.45 3i7k h LEU 1052Ca 0.16 -0.12 -0.04 0.00 -0.12 0.00 0.00 57.88 57.75 3i7k h LEU 1052Cb 0.35 -0.20 0.01 0.00 -0.73 0.00 0.00 40.66 40.09 3i7k h LEU 1052CO 0.01 0.73 -0.44 -0.78 -0.62 0.00 0.00 178.44 177.33 3i7k h ASP 1053N 0.80 -1.03 -0.82 1.25 1.82 0.15 -2.95 116.42 115.63 3i7k h ASP 1053Ca 0.18 0.03 0.18 0.00 -0.39 0.00 0.00 57.03 57.04 3i7k h ASP 1053Cb 0.25 0.27 -0.06 0.00 0.68 0.00 0.00 39.33 40.47 3i7k h ASP 1053CO -0.01 -0.72 0.55 -0.03 -1.61 0.00 0.00 179.24 177.42 3i7k h MET 1054N -1.25 0.36 0.33 0.28 4.05 0.13 -0.59 114.93 118.23 3i7k h MET 1054Ca -0.12 -0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.26 3i7k h MET 1054Cb 0.94 -0.08 -0.00 0.00 -0.80 0.00 0.00 31.60 31.66 3i7k h MET 1054CO 0.20 0.24 -0.18 1.96 0.23 0.00 0.00 176.91 179.36 3i7k h GLN 1055N 0.37 -0.46 -0.67 0.39 4.20 -0.66 -0.93 115.11 117.36 3i7k h GLN 1055Ca 0.42 0.03 -0.06 0.00 0.06 0.00 0.00 58.65 59.09 3i7k h GLN 1055Cb 1.06 0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.91 3i7k h GLN 1055CO -0.14 -0.30 0.17 -0.91 -0.67 0.00 0.00 178.83 176.98 3i7k h ASN 1056N -0.47 0.99 -0.13 1.46 4.21 -0.95 -0.23 115.58 120.45 3i7k h ASN 1056Ca -0.04 -0.20 -0.01 0.00 1.21 0.00 0.00 56.30 57.27 3i7k h ASN 1056Cb 0.38 -0.26 -0.01 0.00 -1.12 0.00 0.00 38.32 37.32 3i7k h ASN 1056CO 0.05 0.95 0.05 0.03 -1.29 0.00 0.00 177.43 177.21 3i7k h ARG 1057N 1.00 0.20 -0.54 0.81 3.08 -1.51 -3.00 114.38 114.42 3i7k h ARG 1057Ca 0.21 -0.04 0.11 0.00 0.07 0.00 0.00 59.98 60.33 3i7k h ARG 1057Cb 0.34 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.33 3i7k h ARG 1057CO -0.00 0.31 0.37 -0.07 -1.07 0.00 0.00 179.97 179.51 3i7k h LEU 1058N 0.04 0.25 -0.34 3.04 3.38 -0.74 -1.58 115.31 119.36 3i7k h LEU 1058Ca 0.04 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 3i7k h LEU 1058Cb 0.20 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 3i7k h LEU 1058CO -0.00 0.15 0.14 0.78 0.09 0.00 0.00 178.44 179.60 3i7k h ASN 1059N 0.28 0.46 -0.21 -0.43 2.35 -0.91 -1.66 115.58 115.46 3i7k h ASN 1059Ca 0.25 -0.16 -0.08 0.00 -0.55 0.00 0.00 56.30 55.76 3i7k h ASN 1059Cb 0.63 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.86 3i7k h ASN 1059CO -0.06 0.49 -0.13 0.11 -1.65 0.00 0.00 177.43 176.19 3i7k h LYS 1060N 0.40 0.61 0.21 0.81 1.57 -1.27 -3.22 116.57 115.68 3i7k h LYS 1060Ca 0.11 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 3i7k h LYS 1060Cb 0.17 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.43 3i7k h LYS 1060CO -0.01 0.72 -0.10 0.28 -0.57 0.00 0.00 179.45 179.77 3i7k h VAL 1061N 0.55 0.00 -2.92 0.50 2.07 -1.42 -3.47 116.25 111.57 3i7k h VAL 1061Ca 0.10 -0.30 -0.52 0.00 0.82 0.00 0.00 66.70 66.79 3i7k h VAL 1061Cb 0.55 0.00 0.07 0.00 -1.52 0.00 0.00 31.29 30.39 3i7k h VAL 1061CO 0.03 0.00 0.96 -0.63 0.02 0.00 0.00 177.57 177.96 3i7k s ILE 1062N -2.59 2.06 -0.19 4.57 1.01 -0.63 -4.98 121.20 120.44 3i7k s ILE 1062Ca -0.04 0.05 -0.25 0.00 0.00 0.00 0.00 60.65 60.41 3i7k s ILE 1062Cb 0.00 -3.03 -0.01 0.00 0.01 0.00 0.00 42.46 39.43 3i7k s ILE 1062CO 0.12 0.01 0.83 -1.59 0.00 0.00 0.00 174.94 174.30 3i7k s LYS 1063N 0.56 4.26 -0.10 2.79 -2.85 -1.26 -4.91 119.74 118.23 3i7k s LYS 1063Ca 0.70 0.98 0.01 0.00 -1.00 0.00 0.00 55.97 56.66 3i7k s LYS 1063Cb -0.49 -3.60 -0.02 0.00 -2.06 0.00 0.00 37.83 31.66 3i7k s LYS 1063CO 0.38 -0.39 -0.10 -1.54 0.10 0.00 0.00 175.35 173.80 3i7k s SER 1064N 1.21 4.32 0.00 0.03 1.04 -1.26 -5.06 113.70 113.98 3i7k s SER 1064Ca 0.37 -0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.62 3i7k s SER 1064Cb -0.16 -1.31 0.00 0.00 0.10 0.00 0.00 66.02 64.65 3i7k s SER 1064CO 0.11 0.27 0.97 0.52 0.98 0.00 0.00 173.24 176.09 3i7k n VAL 1065N 2.84 0.00 -0.52 5.02 0.31 -1.26 -1.45 118.33 123.27 3i7k n VAL 1065Ca -0.18 1.47 -0.16 0.00 -0.01 0.00 0.00 64.34 65.46 3i7k n VAL 1065Cb 0.53 -2.13 0.10 0.00 -0.91 0.00 0.00 33.84 31.43 3i7k n VAL 1065CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3i7k n GLY 1066N -0.99 3.78 3.69 2.92 0.00 -1.26 -4.49 105.19 108.84 3i7k n GLY 1066Ca 0.00 -0.84 -0.31 0.00 0.00 0.00 0.00 46.02 44.87 3i7k n GLY 1066CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i7k n LYS 1067N -0.43 -1.44 -4.12 1.61 5.02 -0.52 -4.82 118.16 113.46 3i7k n LYS 1067Ca 0.38 0.46 -0.35 0.00 -2.02 0.00 0.00 58.31 56.79 3i7k n LYS 1067Cb 1.11 -4.20 -0.14 0.00 -0.02 0.00 0.00 35.03 31.78 3i7k n LYS 1067CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3i7k s ILE 1068N -3.49 3.42 -0.09 -0.18 1.01 -1.26 -4.98 121.20 115.62 3i7k s ILE 1068Ca 0.44 -0.49 -0.29 0.00 0.00 0.00 0.00 60.65 60.30 3i7k s ILE 1068Cb -0.15 -2.53 -0.06 0.00 0.01 0.00 0.00 42.46 39.73 3i7k s ILE 1068CO 0.86 0.45 1.82 -1.61 0.00 0.00 0.00 174.94 176.46 3i7k s GLU 1069N 1.13 3.93 0.40 2.79 8.01 -1.26 -4.85 118.70 128.85 3i7k s GLU 1069Ca 0.02 2.16 0.26 0.00 0.01 0.00 0.00 54.97 57.42 3i7k s GLU 1069Cb -0.15 -4.11 1.42 0.00 -4.31 0.00 0.00 34.13 26.99 3i7k s GLU 1069CO -0.01 -1.17 1.57 1.58 0.01 0.00 0.00 175.26 177.25 3i7k n HIS 1070N 8.22 0.96 -0.16 1.61 -0.00 -1.26 -0.59 115.22 124.00 3i7k n HIS 1070Ca 0.20 0.96 -0.08 0.00 -0.00 0.00 0.00 57.72 58.81 3i7k n HIS 1070Cb 0.43 -1.38 0.01 0.00 -0.00 0.00 0.00 29.99 29.05 3i7k n HIS 1070CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 3i7k h SER 1071N 0.00 0.58 -0.22 0.26 0.87 -1.99 -0.81 113.55 112.25 3i7k h SER 1071Ca 0.87 -0.07 -0.05 0.00 -1.23 0.00 0.00 61.79 61.30 3i7k h SER 1071Cb 2.53 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 64.33 3i7k h SER 1071CO -0.63 0.48 -0.06 0.15 -0.53 0.00 0.00 176.83 176.24 3i7k h PHE 1072N 0.63 0.48 0.96 2.24 3.57 -1.23 -3.06 116.94 120.52 3i7k h PHE 1072Ca 0.17 -0.11 -0.05 0.00 3.53 0.00 0.00 57.97 61.52 3i7k h PHE 1072Cb 0.02 -0.11 0.01 0.00 2.79 0.00 0.00 35.95 38.66 3i7k h PHE 1072CO -0.02 0.67 -0.46 2.35 -2.23 0.00 0.00 178.31 178.62 3i7k h TRP 1073N 0.14 -1.19 0.00 0.41 2.91 -1.03 -2.85 115.95 114.35 3i7k h TRP 1073Ca 0.05 -0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.05 3i7k h TRP 1073Cb 0.52 0.39 0.00 0.00 -0.51 0.00 0.00 29.16 29.56 3i7k h TRP 1073CO 0.05 -0.74 0.00 0.54 -1.03 0.00 0.00 178.44 177.26 3i7k n ARG 1074N -5.57 0.02 -2.22 2.65 5.12 -0.33 -4.72 116.66 111.61 3i7k n ARG 1074Ca -0.16 0.31 -0.41 0.00 -1.93 0.00 0.00 57.85 55.66 3i7k n ARG 1074Cb 0.51 -1.50 -0.03 0.00 -1.16 0.00 0.00 32.46 30.28 3i7k n ARG 1074CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3i7k s SER 1075N -2.93 6.90 0.09 0.55 1.04 -1.08 0.19 113.70 118.47 3i7k s SER 1075Ca 0.05 2.39 -0.31 0.00 0.48 0.00 0.00 55.95 58.56 3i7k s SER 1075Cb 0.06 -2.61 -0.10 0.00 0.10 0.00 0.00 66.02 63.47 3i7k s SER 1075CO 0.17 -0.53 1.87 0.33 0.98 0.00 0.00 173.24 176.06 3i7k n PHE 1076N 2.72 2.58 -3.90 5.02 7.35 -0.62 -4.34 117.46 126.26 3i7k n PHE 1076Ca 0.06 -0.19 -0.19 0.00 -0.76 0.00 0.00 57.45 56.37 3i7k n PHE 1076Cb 0.43 -2.74 -0.17 0.00 0.35 0.00 0.00 39.48 37.35 3i7k n PHE 1076CO 0.00 0.00 0.00 -1.58 -0.76 0.00 0.00 176.76 174.42 3i7k s HIS 1077N 3.15 0.45 0.42 -5.13 5.65 -1.26 -2.07 115.29 116.50 3i7k s HIS 1077Ca 0.84 -0.05 0.04 0.00 0.25 0.00 0.00 55.06 56.13 3i7k s HIS 1077Cb -0.49 -0.56 -0.02 0.00 -1.18 0.00 0.00 32.58 30.33 3i7k s HIS 1077CO 0.39 -0.20 0.12 0.95 -0.65 0.00 0.00 174.74 175.35 3i7k s THR 1078N 1.36 0.65 0.38 0.89 -4.23 -0.56 -4.85 115.64 109.29 3i7k s THR 1078Ca -0.05 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 58.55 3i7k s THR 1078Cb -0.13 -2.33 0.31 0.00 1.34 0.00 0.00 72.50 71.69 3i7k s THR 1078CO -0.02 0.00 1.95 -0.08 -0.54 0.00 0.00 174.62 175.93 3i7k h GLU 1079N 1.74 0.63 0.06 3.99 4.57 -2.01 -3.26 114.58 120.30 3i7k h GLU 1079Ca -0.36 -0.04 -0.14 0.00 -1.18 0.00 0.00 59.36 57.65 3i7k h GLU 1079Cb 1.28 -0.14 -0.00 0.00 -0.16 0.00 0.00 28.75 29.73 3i7k h GLU 1079CO 0.58 0.41 -0.67 -0.09 -1.18 0.00 0.00 179.01 178.06 3i7k h ARG 1080N 0.64 0.12 -4.24 1.92 2.43 -2.02 -3.49 114.38 109.74 3i7k h ARG 1080Ca 0.32 -0.21 -0.14 0.00 -0.81 0.00 0.00 59.98 59.15 3i7k h ARG 1080Cb 0.42 0.08 -0.15 0.00 -0.42 0.00 0.00 29.97 29.90 3i7k h ARG 1080CO -0.11 1.10 -0.60 -1.59 -1.51 0.00 0.00 179.97 177.25 3i7k s LYS 1081N -2.34 0.81 -0.31 0.20 -2.85 -1.23 -5.13 119.74 108.88 3i7k s LYS 1081Ca -0.19 -1.28 -0.02 0.00 -1.00 0.00 0.00 55.97 53.47 3i7k s LYS 1081Cb 0.01 0.25 0.10 0.00 -2.06 0.00 0.00 37.83 36.13 3i7k s LYS 1081CO 0.72 -0.22 0.12 0.99 0.10 0.00 0.00 175.35 177.07 3i7k s THR 1082N -3.97 0.46 0.09 3.79 2.01 -1.26 -1.49 115.64 115.27 3i7k s THR 1082Ca 0.15 -1.20 -0.01 0.00 0.31 0.00 0.00 61.69 60.94 3i7k s THR 1082Cb 0.07 -1.36 -0.04 0.00 0.01 0.00 0.00 72.50 71.18 3i7k s THR 1082CO -0.04 -0.73 0.27 -1.61 -0.69 0.00 0.00 174.62 171.82 3i7k s GLU 1083N 1.73 3.49 1.12 4.92 0.41 -0.88 -4.99 118.70 124.51 3i7k s GLU 1083Ca 0.10 -0.36 -0.13 0.00 -0.41 0.00 0.00 54.97 54.17 3i7k s GLU 1083Cb -0.17 -2.97 0.26 0.00 -1.78 0.00 0.00 34.13 29.46 3i7k s GLU 1083CO -0.27 0.56 1.05 -2.14 -0.49 0.00 0.00 175.26 173.96 3i7k s PRO 1084N -2.64 -0.56 0.36 0.39 0.02 -1.26 -1.60 135.00 129.71 3i7k s PRO 1084Ca 0.37 0.60 -0.25 0.00 0.02 0.00 0.00 61.00 61.73 3i7k s PRO 1084Cb -0.13 -1.61 -0.09 0.00 0.02 0.00 0.00 34.50 32.69 3i7k s PRO 1084CO 0.27 -3.42 1.03 0.00 -0.33 0.00 0.00 177.00 174.55 3i7k s ALA 1085N -2.69 3.17 0.03 -1.55 0.00 -1.26 -4.39 121.76 115.07 3i7k s ALA 1085Ca 0.67 0.68 0.01 0.00 0.00 0.00 0.00 51.96 53.32 3i7k s ALA 1085Cb -0.21 -3.26 -0.02 0.00 0.00 0.00 0.00 23.12 19.63 3i7k s ALA 1085CO 0.61 -0.09 -0.05 0.95 0.00 0.00 0.00 175.76 177.18 3i7k s THR 1086N -1.57 0.28 -1.41 0.00 -4.23 -0.86 -4.89 115.64 102.96 3i7k s THR 1086Ca 0.53 -1.01 0.00 0.00 -1.18 0.00 0.00 61.69 60.04 3i7k s THR 1086Cb -0.23 -0.44 0.00 0.00 1.34 0.00 0.00 72.50 73.18 3i7k s THR 1086CO 0.29 -0.47 0.00 0.61 -0.54 0.00 0.00 174.62 174.50 3i7k n GLY 1087N 1.49 1.27 3.22 3.99 0.00 -1.26 0.69 105.19 114.59 3i7k n GLY 1087Ca -0.23 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.63 3i7k n GLY 1087CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i7k s PHE 1088N -2.09 1.28 -0.10 1.61 0.40 -1.25 -0.23 117.98 117.60 3i7k s PHE 1088Ca 0.00 -0.61 -0.04 0.00 -0.60 0.00 0.00 56.93 55.68 3i7k s PHE 1088Cb 0.00 -0.67 0.05 0.00 0.51 0.00 0.00 43.02 42.91 3i7k s PHE 1088CO 0.00 0.10 0.21 0.42 0.70 0.00 0.00 175.22 176.65 3i7k s ILE 1089N -2.39 -0.19 -0.55 0.64 1.01 -0.57 -4.94 121.20 114.21 3i7k s ILE 1089Ca 0.09 0.24 -0.24 0.00 0.00 0.00 0.00 60.65 60.74 3i7k s ILE 1089Cb -0.03 -0.35 0.04 0.00 0.01 0.00 0.00 42.46 42.13 3i7k s ILE 1089CO 0.02 0.10 0.91 1.51 0.00 0.00 0.00 174.94 177.48 3i7k s ASP 1090N 1.77 6.32 0.40 3.58 3.84 -1.26 -0.45 116.67 130.88 3i7k s ASP 1090Ca -0.04 -0.43 0.32 0.00 -0.00 0.00 0.00 52.55 52.40 3i7k s ASP 1090Cb -0.11 -2.42 1.34 0.00 -1.38 0.00 0.00 42.92 40.34 3i7k s ASP 1090CO -0.07 -1.21 1.34 0.61 -0.00 0.00 0.00 175.17 175.84 3i7k n GLY 1091N 5.13 -0.76 0.16 2.12 0.00 0.31 0.19 105.19 112.36 3i7k n GLY 1091Ca 0.01 0.64 -0.06 0.00 0.00 0.00 0.00 46.02 46.60 3i7k n GLY 1091CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3i7k h ASP 1092N 0.00 0.21 -0.35 1.61 5.19 -1.89 0.62 116.42 121.80 3i7k h ASP 1092Ca 0.77 0.03 -0.14 0.00 -0.62 0.00 0.00 57.03 57.07 3i7k h ASP 1092Cb 2.66 -0.00 -0.01 0.00 0.18 0.00 0.00 39.33 42.16 3i7k h ASP 1092CO -0.30 0.16 -0.33 0.25 -3.12 0.00 0.00 179.24 175.90 3i7k h LEU 1093N 0.34 0.90 -0.58 1.55 6.46 -0.62 -3.03 115.31 120.33 3i7k h LEU 1093Ca 0.17 -0.46 0.00 0.00 -0.12 0.00 0.00 57.88 57.47 3i7k h LEU 1093Cb 0.12 -0.25 0.00 0.00 -0.73 0.00 0.00 40.66 39.79 3i7k h LEU 1093CO -0.15 1.18 0.00 0.40 -0.62 0.00 0.00 178.44 179.25 3i7k h ILE 1094N 0.64 0.00 0.00 4.05 2.04 -0.38 -2.94 117.51 120.92 3i7k h ILE 1094Ca 0.06 -0.32 -0.16 0.00 1.00 0.00 0.00 64.86 65.43 3i7k h ILE 1094Cb 0.91 1.14 -0.03 0.00 -0.74 0.00 0.00 36.82 38.11 3i7k h ILE 1094CO 0.08 0.00 -1.39 -0.62 0.00 0.00 0.00 178.15 176.22 3i7k n GLU 1095N -2.32 0.62 0.00 2.37 1.02 0.21 -3.71 120.64 118.82 3i7k n GLU 1095Ca 0.03 0.22 0.09 0.00 -0.02 0.00 0.00 57.16 57.48 3i7k n GLU 1095Cb 0.29 -1.81 0.52 0.00 -0.02 0.00 0.00 31.44 30.41 3i7k n GLU 1095CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3i7k n SER 1096N -2.88 0.00 -0.16 1.62 3.41 -1.11 -2.42 113.62 112.08 3i7k n SER 1096Ca -0.09 -0.45 -0.05 0.00 -0.26 0.00 0.00 58.87 58.01 3i7k n SER 1096Cb 0.83 -0.05 0.13 0.00 -0.26 0.00 0.00 64.21 64.86 3i7k n SER 1096CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 3i7k h PHE 1097N 0.00 0.96 0.00 7.33 3.57 -1.67 -2.88 116.94 124.25 3i7k h PHE 1097Ca 0.00 -0.11 -0.06 0.00 3.53 0.00 0.00 57.97 61.33 3i7k h PHE 1097Cb 0.03 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 38.49 3i7k h PHE 1097CO 0.00 0.82 -0.28 -0.07 -2.23 0.00 0.00 178.31 176.55 3i7k h LEU 1098N 0.86 0.00 -4.58 0.59 3.38 -1.75 -3.15 115.31 110.66 3i7k h LEU 1098Ca 0.18 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.55 3i7k h LEU 1098Cb 0.38 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 40.92 3i7k h LEU 1098CO 0.01 0.28 0.67 0.47 0.09 0.00 0.00 178.44 179.96 3i7k n ASP 1099N -3.59 6.94 -4.19 -0.43 10.43 -1.09 -4.85 116.55 119.78 3i7k n ASP 1099Ca -0.01 -3.46 -0.15 0.00 2.57 0.00 0.00 54.79 53.74 3i7k n ASP 1099Cb 0.41 -1.14 -0.11 0.00 1.84 0.00 0.00 41.12 42.12 3i7k n ASP 1099CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 3i7k s ILE 1100N -3.45 1.03 0.39 0.53 1.01 -1.19 -5.03 121.20 114.49 3i7k s ILE 1100Ca 0.55 -1.66 -0.24 0.00 0.00 0.00 0.00 60.65 59.30 3i7k s ILE 1100Cb 0.40 -1.40 -0.09 0.00 0.01 0.00 0.00 42.46 41.39 3i7k s ILE 1100CO -0.26 -0.53 1.08 -0.94 0.00 0.00 0.00 174.94 174.29 3i7k s SER 1101N -2.45 6.73 0.30 3.58 1.04 -1.26 -4.86 113.70 116.78 3i7k s SER 1101Ca 0.06 2.11 0.03 0.00 0.48 0.00 0.00 55.95 58.63 3i7k s SER 1101Cb -0.03 -2.59 0.77 0.00 0.10 0.00 0.00 66.02 64.26 3i7k s SER 1101CO 0.01 -0.52 1.61 0.03 0.98 0.00 0.00 173.24 175.35 3i7k h ARG 1102N 2.59 0.09 0.00 4.02 2.47 -1.96 0.37 114.38 121.95 3i7k h ARG 1102Ca -0.48 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.23 3i7k h ARG 1102Cb 1.22 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 29.52 3i7k h ARG 1102CO 0.63 0.06 0.00 -2.30 0.56 0.00 0.00 179.97 178.91 3i7k n PRO 1103N -5.35 0.00 -0.11 0.04 -0.02 -1.26 -0.14 135.00 128.16 3i7k n PRO 1103Ca 0.23 0.28 0.27 0.00 -2.02 0.00 0.00 63.50 62.26 3i7k n PRO 1103Cb 0.76 -0.83 0.66 0.00 -0.02 0.00 0.00 33.50 34.07 3i7k n PRO 1103CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3i7k h LYS 1104N 0.00 0.00 -0.39 -0.52 1.57 -1.89 0.41 116.57 115.74 3i7k h LYS 1104Ca 0.00 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 3i7k h LYS 1104Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 3i7k h LYS 1104CO 0.00 0.00 -0.02 1.98 -0.57 0.00 0.00 179.45 180.84 3i7k h MET 1105N 0.00 0.71 0.00 3.15 4.05 0.24 -2.59 114.93 120.49 3i7k h MET 1105Ca 0.38 -0.23 0.00 0.00 -0.28 0.00 0.00 59.70 59.57 3i7k h MET 1105Cb 1.96 -0.06 0.00 0.00 -0.80 0.00 0.00 31.60 32.70 3i7k h MET 1105CO -0.00 0.81 0.00 1.04 0.23 0.00 0.00 176.91 178.99 3i7k n GLN 1106N -4.43 0.22 0.15 0.39 6.02 0.14 -3.14 117.38 116.72 3i7k n GLN 1106Ca -0.01 0.05 -0.07 0.00 -0.01 0.00 0.00 57.00 56.96 3i7k n GLN 1106Cb 0.30 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 30.03 3i7k n GLN 1106CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 3i7k h GLU 1107N 0.00 -0.42 -0.89 -1.09 4.81 -1.10 -3.21 114.58 112.68 3i7k h GLU 1107Ca 0.00 0.03 0.26 0.00 -0.13 0.00 0.00 59.36 59.52 3i7k h GLU 1107Cb 0.32 0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.76 3i7k h GLU 1107CO 0.00 -0.28 1.02 0.28 -0.73 0.00 0.00 179.01 179.30 3i7k h VAL 1108N -0.95 0.10 -3.61 0.32 2.07 -1.46 -3.32 116.25 109.40 3i7k h VAL 1108Ca -0.04 0.00 -0.68 0.00 0.82 0.00 0.00 66.70 66.80 3i7k h VAL 1108Cb 0.33 0.18 -0.26 0.00 -1.52 0.00 0.00 31.29 30.02 3i7k h VAL 1108CO 0.07 0.00 -0.61 -0.69 0.02 0.00 0.00 177.57 176.36 3i7k s VAL 1109N -4.49 3.99 0.00 2.57 1.01 -1.21 -4.79 120.40 117.48 3i7k s VAL 1109Ca -0.03 -0.72 0.00 0.00 0.00 0.00 0.00 61.98 61.23 3i7k s VAL 1109Cb 0.15 -3.08 0.00 0.00 0.00 0.00 0.00 36.38 33.45 3i7k s VAL 1109CO 0.50 0.05 0.00 0.00 0.00 0.00 0.00 175.10 175.65 3i7k n ALA 1110N 4.87 1.07 -3.65 5.51 0.00 -1.25 -4.85 120.51 122.21 3i7k n ALA 1110Ca -0.14 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.28 3i7k n ALA 1110Cb 0.48 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.86 3i7k n ALA 1110CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i7k s ASN 1111N -1.19 -0.03 0.00 0.00 2.20 -1.26 -5.13 114.94 109.54 3i7k s ASN 1111Ca 0.00 0.05 0.00 0.00 -0.94 0.00 0.00 52.86 51.97 3i7k s ASN 1111Cb 0.00 0.05 0.00 0.00 -2.00 0.00 0.00 41.25 39.30 3i7k s ASN 1111CO 0.00 -0.01 0.00 -2.11 -2.94 0.00 0.00 177.10 172.04 3i7k n ARG 1122N 1.26 -0.01 0.00 3.55 1.85 -1.26 -4.81 116.66 117.24 3i7k n ARG 1122Ca -0.07 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.78 3i7k n ARG 1122Cb 0.57 -0.01 0.00 0.00 -1.05 0.00 0.00 32.46 31.98 3i7k n ARG 1122CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 3i7k n GLU 1123N -0.43 0.00 -0.37 2.89 4.71 -1.26 -5.16 120.64 121.01 3i7k n GLU 1123Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 3i7k n GLU 1123Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.43 3i7k n GLU 1123CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3i7k n ALA 1124N -2.49 -1.52 -3.52 0.62 0.00 -1.26 -5.10 120.51 107.24 3i7k n ALA 1124Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 3i7k n ALA 1124Cb 0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 19.45 19.29 3i7k n ALA 1124CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3i7k s THR 1125N 0.00 0.00 -0.34 0.00 2.01 -1.26 -4.97 115.64 111.08 3i7k s THR 1125Ca 0.00 -0.27 0.27 0.00 0.31 0.00 0.00 61.69 61.99 3i7k s THR 1125Cb 0.00 -1.26 0.33 0.00 0.01 0.00 0.00 72.50 71.58 3i7k s THR 1125CO 0.00 -0.01 1.76 0.00 -0.69 0.00 0.00 174.62 175.69 3i7k h ALA 1126N 2.01 1.00 0.00 7.40 0.00 -1.96 -3.18 119.26 124.53 3i7k h ALA 1126Ca -0.30 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.29 3i7k h ALA 1126Cb 1.29 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.03 3i7k h ALA 1126CO 0.34 0.00 -2.20 -0.25 0.00 0.00 0.00 179.25 177.14 3i7k n ASP 1127N -2.84 2.27 -0.15 0.00 8.00 -1.26 -3.19 116.55 119.39 3i7k n ASP 1127Ca 0.03 -0.07 0.27 0.00 0.71 0.00 0.00 54.79 55.74 3i7k n ASP 1127Cb 0.41 -0.37 0.72 0.00 -0.02 0.00 0.00 41.12 41.86 3i7k n ASP 1127CO 0.00 0.00 0.00 -0.78 -0.39 0.00 0.00 177.20 176.03 3i7k h ASP 1128N -0.10 0.00 0.00 -2.24 -0.00 -1.95 -3.05 116.42 109.08 3i7k h ASP 1128Ca -0.48 0.00 -0.23 0.00 -0.00 0.00 0.00 57.03 56.32 3i7k h ASP 1128Cb 1.70 0.00 -0.04 0.00 -0.00 0.00 0.00 39.33 40.99 3i7k h ASP 1128CO -0.11 0.00 -1.84 -0.11 -0.00 0.00 0.00 179.24 177.19 3i7k n LEU 1129N -4.28 2.42 -0.32 2.28 -0.00 -1.20 -3.69 117.00 112.20 3i7k n LEU 1129Ca 0.17 0.00 0.22 0.00 -0.00 0.00 0.00 56.01 56.40 3i7k n LEU 1129Cb 0.90 -0.49 0.41 0.00 -0.00 0.00 0.00 43.42 44.24 3i7k n LEU 1129CO 0.38 0.62 0.88 0.00 -0.00 0.00 0.00 177.39 179.27 3i7k n ILE 1130N -3.16 -0.40 -0.15 1.96 3.06 -1.19 -0.77 119.36 118.71 3i7k n ILE 1130Ca -0.27 2.04 -0.12 0.00 -2.50 0.00 0.00 62.75 61.90 3i7k n ILE 1130Cb 0.76 -3.12 -0.01 0.00 0.54 0.00 0.00 39.64 37.81 3i7k n ILE 1130CO 0.00 0.00 0.00 0.50 -2.50 0.00 0.00 176.55 174.55 3i7k h LYS 1131N 0.00 0.94 -0.33 9.51 3.64 -1.69 -3.10 116.57 125.54 3i7k h LYS 1131Ca 0.69 -0.41 0.07 0.00 -1.27 0.00 0.00 60.65 59.73 3i7k h LYS 1131Cb 1.64 -0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 33.36 3i7k h LYS 1131CO -0.83 1.07 -0.12 0.28 -2.27 0.00 0.00 179.45 177.58 3i7k h VAL 1132N 0.77 0.59 0.00 2.00 2.07 -1.03 -1.80 116.25 118.86 3i7k h VAL 1132Ca 0.10 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.59 3i7k h VAL 1132Cb 0.80 0.59 -0.00 0.00 -1.52 0.00 0.00 31.29 31.15 3i7k h VAL 1132CO 0.07 0.00 -0.15 0.58 0.02 0.00 0.00 177.57 178.08 3i7k h VAL 1133N -0.05 0.89 -0.05 2.57 2.07 -1.38 -2.81 116.25 117.48 3i7k h VAL 1133Ca 0.16 -0.56 -0.20 0.00 0.82 0.00 0.00 66.70 66.93 3i7k h VAL 1133Cb 0.31 1.32 0.01 0.00 -1.52 0.00 0.00 31.29 31.41 3i7k h VAL 1133CO -0.37 0.15 -0.73 -0.33 0.02 0.00 0.00 177.57 176.31 3i7k h GLU 1134N 0.00 0.58 -0.45 1.57 5.08 -1.27 -2.07 114.58 118.02 3i7k h GLU 1134Ca -0.00 -0.56 0.13 0.00 -1.00 0.00 0.00 59.36 57.93 3i7k h GLU 1134Cb 0.31 0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 3i7k h GLU 1134CO 0.02 1.18 0.50 0.93 -1.00 0.00 0.00 179.01 180.64 3i7k h GLU 1135N 0.19 0.00 0.08 2.33 5.08 -1.19 -0.04 114.58 121.03 3i7k h GLU 1135Ca -0.08 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.00 3i7k h GLU 1135Cb 1.40 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.63 3i7k h GLU 1135CO 0.15 0.00 -1.39 -0.07 -1.00 0.00 0.00 179.01 176.70 3i7k h LEU 1136N 0.00 0.27 -1.22 1.33 3.38 -1.31 -3.31 115.31 114.46 3i7k h LEU 1136Ca 0.21 -0.35 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 3i7k h LEU 1136Cb 1.21 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.86 3i7k h LEU 1136CO -0.00 1.29 0.06 0.71 0.09 0.00 0.00 178.44 180.58 3i7k h THR 1137N 0.05 1.19 0.00 0.22 1.35 -0.34 -1.97 112.91 113.42 3i7k h THR 1137Ca -0.18 -0.73 0.00 0.00 -0.55 0.00 0.00 66.41 64.95 3i7k h THR 1137Cb 1.96 0.84 0.00 0.00 -1.73 0.00 0.00 68.15 69.21 3i7k h THR 1137CO 0.15 0.26 0.00 0.54 -0.25 0.00 0.00 175.52 176.22 3i7k n ARG 1138N -4.30 0.50 0.24 4.72 1.74 -0.96 -2.91 116.66 115.70 3i7k n ARG 1138Ca 0.02 0.00 0.14 0.00 -0.77 0.00 0.00 57.85 57.24 3i7k n ARG 1138Cb 0.22 -1.41 0.40 0.00 -1.02 0.00 0.00 32.46 30.65 3i7k n ARG 1138CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 3i7k h ILE 1139N 0.00 0.04 0.00 0.55 2.04 -1.52 -3.49 117.51 115.13 3i7k h ILE 1139Ca 0.00 -0.83 0.00 0.00 1.00 0.00 0.00 64.86 65.03 3i7k h ILE 1139Cb 0.00 1.79 0.00 0.00 -0.74 0.00 0.00 36.82 37.87 3i7k h ILE 1139CO 0.00 0.02 0.00 0.00 0.00 0.00 0.00 178.15 178.17