#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i89 s SER 2 N 0.00 6.59 -0.20 3.17 0.15 -1.26 -5.02 113.70 117.13 3i89 s SER 2 Ca 0.00 0.71 -0.04 0.00 0.70 0.00 0.00 55.95 57.32 3i89 s SER 2 Cb 0.00 -2.18 0.09 0.00 -1.71 0.00 0.00 66.02 62.23 3i89 s SER 2 CO 0.00 0.31 0.24 -0.31 1.20 0.00 0.00 173.24 174.68 3i89 s TYR 3 N -0.76 -0.33 0.37 3.44 2.02 -1.26 -4.42 117.35 116.41 3i89 s TYR 3 Ca 0.19 0.31 0.04 0.00 -0.37 0.00 0.00 57.07 57.25 3i89 s TYR 3 Cb -0.14 -0.31 -0.03 0.00 -0.40 0.00 0.00 41.96 41.07 3i89 s TYR 3 CO 0.08 -0.60 0.14 -0.80 -1.57 0.00 0.00 175.55 172.81 3i89 s ASN 4 N 2.35 2.36 -0.05 2.29 0.01 0.41 -1.73 114.94 120.59 3i89 s ASN 4 Ca 0.07 -1.63 -0.02 0.00 -0.71 0.00 0.00 52.86 50.57 3i89 s ASN 4 Cb -0.15 0.44 0.03 0.00 0.41 0.00 0.00 41.25 41.97 3i89 s ASN 4 CO -0.12 -0.91 0.11 -0.47 -1.51 0.00 0.00 177.10 174.20 3i89 s TYR 5 N -3.33 -0.10 -0.06 2.20 5.04 -0.63 -1.42 117.35 119.05 3i89 s TYR 5 Ca 0.29 0.37 0.05 0.00 -2.44 0.00 0.00 57.07 55.34 3i89 s TYR 5 Cb 0.04 -0.12 -0.01 0.00 0.35 0.00 0.00 41.96 42.22 3i89 s TYR 5 CO 0.16 -0.14 -0.22 0.14 -1.34 0.00 0.00 175.55 174.15 3i89 s VAL 6 N 1.06 1.85 0.03 3.14 -7.23 0.64 -1.55 120.40 118.34 3i89 s VAL 6 Ca -0.08 -0.95 0.02 0.00 -1.81 0.00 0.00 61.98 59.15 3i89 s VAL 6 Cb -0.11 -1.57 -0.02 0.00 0.56 0.00 0.00 36.38 35.24 3i89 s VAL 6 CO -0.05 0.52 -0.06 -0.69 -0.31 0.00 0.00 175.10 174.51 3i89 s VAL 7 N -0.07 0.43 0.32 1.32 1.01 -0.98 -1.55 120.40 120.89 3i89 s VAL 7 Ca -0.05 -0.82 -0.29 0.00 0.00 0.00 0.00 61.98 60.83 3i89 s VAL 7 Cb -0.13 -0.48 -0.10 0.00 0.00 0.00 0.00 36.38 35.67 3i89 s VAL 7 CO 0.03 -0.27 1.33 -0.89 0.00 0.00 0.00 175.10 175.31 3i89 s THR 8 N -1.05 2.68 -0.06 3.92 2.01 -1.26 -0.96 115.64 120.93 3i89 s THR 8 Ca -0.08 0.67 0.03 0.00 0.31 0.00 0.00 61.69 62.62 3i89 s THR 8 Cb -0.08 -3.43 -0.05 0.00 0.01 0.00 0.00 72.50 68.95 3i89 s THR 8 CO 0.00 0.15 -0.02 0.00 -0.69 0.00 0.00 174.62 174.06 3i89 n ALA 9 N 1.02 1.87 -3.68 7.40 0.00 0.13 -4.92 120.51 122.33 3i89 n ALA 9 Ca 0.01 -0.31 -0.23 0.00 0.00 0.00 0.00 53.44 52.91 3i89 n ALA 9 Cb 0.41 0.25 -0.17 0.00 0.00 0.00 0.00 19.45 19.94 3i89 n ALA 9 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3i89 s GLN 10 N -2.13 1.10 0.82 0.00 2.00 -0.48 -4.97 119.66 116.01 3i89 s GLN 10 Ca -0.06 -0.16 -0.13 0.00 -2.00 0.00 0.00 55.36 53.02 3i89 s GLN 10 Cb 0.02 -1.13 0.08 0.00 0.80 0.00 0.00 33.01 32.78 3i89 s GLN 10 CO 0.18 -0.14 1.17 1.63 -0.50 0.00 0.00 175.29 177.63 3i89 n LYS 11 N 4.40 0.14 -1.76 1.67 5.02 -1.26 -2.56 118.16 123.81 3i89 n LYS 11 Ca -0.18 0.12 -0.41 0.00 -2.02 0.00 0.00 58.31 55.82 3i89 n LYS 11 Cb 0.51 -2.41 -0.00 0.00 -0.02 0.00 0.00 35.03 33.10 3i89 n LYS 11 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 3i89 n PRO 12 N -3.26 2.57 -0.00 1.97 -0.02 -1.26 -4.41 135.00 130.60 3i89 n PRO 12 Ca 0.13 0.90 0.05 0.00 -2.02 0.00 0.00 63.50 62.57 3i89 n PRO 12 Cb 0.51 -2.61 -0.07 0.00 -0.02 0.00 0.00 33.50 31.30 3i89 n PRO 12 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3i89 n THR 13 N 0.63 0.00 -1.89 3.45 -2.24 -0.68 -4.88 114.28 108.67 3i89 n THR 13 Ca 0.03 -0.25 -0.38 0.00 -2.27 0.00 0.00 64.05 61.18 3i89 n THR 13 Cb 0.38 0.63 0.03 0.00 -2.10 0.00 0.00 70.33 69.27 3i89 n THR 13 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i89 s ALA 14 N -2.39 2.86 -0.40 6.98 0.00 0.11 -4.81 121.76 124.12 3i89 s ALA 14 Ca 0.00 1.25 -0.06 0.00 0.00 0.00 0.00 51.96 53.15 3i89 s ALA 14 Cb 0.08 -3.53 0.09 0.00 0.00 0.00 0.00 23.12 19.76 3i89 s ALA 14 CO 0.45 -1.21 0.21 0.08 0.00 0.00 0.00 175.76 175.29 3i89 s VAL 15 N -1.35 3.66 -0.32 0.00 1.01 -1.18 -4.59 120.40 117.63 3i89 s VAL 15 Ca 0.70 -1.71 0.21 0.00 0.00 0.00 0.00 61.98 61.17 3i89 s VAL 15 Cb -0.38 -3.35 0.19 0.00 0.00 0.00 0.00 36.38 32.84 3i89 s VAL 15 CO 0.45 -0.56 1.42 0.78 0.00 0.00 0.00 175.10 177.19 3i89 h ASN 16 N 8.21 0.00 -4.80 3.32 2.35 -1.56 -3.37 115.58 119.73 3i89 h ASN 16 Ca -0.18 0.00 0.22 0.00 -0.55 0.00 0.00 56.30 55.78 3i89 h ASN 16 Cb 1.06 0.00 -0.15 0.00 0.05 0.00 0.00 38.32 39.28 3i89 h ASN 16 CO 0.71 0.15 0.68 -0.83 -1.65 0.00 0.00 177.43 176.49 3i89 s GLY 17 N -4.33 -0.36 -0.29 2.83 0.00 -1.20 -4.83 107.32 99.15 3i89 s GLY 17 Ca 0.04 1.06 -0.18 0.00 0.00 0.00 0.00 44.72 45.64 3i89 s GLY 17 CO 0.72 0.32 0.92 0.00 0.00 0.00 0.00 173.10 175.06 3i89 s VAL 19 N 1.21 1.08 0.08 0.00 0.11 0.48 -4.79 120.40 118.56 3i89 s VAL 19 Ca -0.07 -1.69 0.07 0.00 -2.93 0.00 0.00 61.98 57.37 3i89 s VAL 19 Cb -0.04 -1.44 -0.04 0.00 -1.53 0.00 0.00 36.38 33.33 3i89 s VAL 19 CO -0.14 -0.52 -0.15 0.28 -3.33 0.00 0.00 175.10 171.23 3i89 s THR 20 N -2.39 3.00 -3.76 5.04 -1.32 -1.26 0.13 115.64 115.08 3i89 s THR 20 Ca 0.07 -1.27 0.00 0.00 -1.21 0.00 0.00 61.69 59.28 3i89 s THR 20 Cb -0.03 -2.34 0.00 0.00 -1.51 0.00 0.00 72.50 68.62 3i89 s THR 20 CO 0.01 0.22 0.00 0.61 -2.21 0.00 0.00 174.62 173.25 3i89 n GLY 21 N 1.13 -1.20 3.20 6.08 0.00 -0.85 -4.91 105.19 108.63 3i89 n GLY 21 Ca -0.15 -1.10 -0.41 0.00 0.00 0.00 0.00 46.02 44.36 3i89 n GLY 21 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3i89 s HIS 22 N -3.00 3.50 -0.01 1.61 3.76 -1.26 -0.01 115.29 119.88 3i89 s HIS 22 Ca 0.00 -2.18 0.03 0.00 -0.15 0.00 0.00 55.06 52.76 3i89 s HIS 22 Cb 0.00 -3.46 -0.04 0.00 1.11 0.00 0.00 32.58 30.18 3i89 s HIS 22 CO 0.00 -0.95 0.07 0.34 -0.85 0.00 0.00 174.74 173.35 3i89 n PHE 23 N 4.26 0.00 -0.07 1.40 7.35 -1.26 -1.68 117.46 127.47 3i89 n PHE 23 Ca 0.02 0.00 -0.21 0.00 -0.76 0.00 0.00 57.45 56.50 3i89 n PHE 23 Cb 0.41 -0.06 -0.12 0.00 0.35 0.00 0.00 39.48 40.05 3i89 n PHE 23 CO 0.00 0.00 0.00 1.15 -0.76 0.00 0.00 176.76 177.15 3i89 h THR 24 N 0.00 1.01 -3.56 -2.13 2.02 -1.88 -3.38 112.91 104.99 3i89 h THR 24 Ca 0.00 -2.26 -0.06 0.00 0.77 0.00 0.00 66.41 64.86 3i89 h THR 24 Cb 0.13 2.48 -0.13 0.00 -1.74 0.00 0.00 68.15 68.90 3i89 h THR 24 CO 0.00 0.49 -0.17 -0.44 0.37 0.00 0.00 175.52 175.77 3i89 s SER 25 N -6.84 -0.11 0.43 4.18 0.01 -1.26 -4.99 113.70 105.12 3i89 s SER 25 Ca -0.25 -0.50 0.13 0.00 1.31 0.00 0.00 55.95 56.64 3i89 s SER 25 Cb 0.05 0.44 0.93 0.00 0.21 0.00 0.00 66.02 67.65 3i89 s SER 25 CO 0.66 -0.85 1.96 0.00 0.41 0.00 0.00 173.24 175.42 3i89 h ALA 26 N 2.47 1.63 -3.36 1.44 0.00 -1.85 -3.13 119.26 116.46 3i89 h ALA 26 Ca -0.33 -0.19 -0.68 0.00 0.00 0.00 0.00 54.91 53.71 3i89 h ALA 26 Cb 1.24 -0.04 -0.31 0.00 0.00 0.00 0.00 17.79 18.67 3i89 h ALA 26 CO 0.48 0.27 -0.68 -1.83 0.00 0.00 0.00 179.25 177.49 3i89 s GLU 27 N -4.61 2.58 0.00 0.00 4.04 -1.26 -4.94 118.70 114.52 3i89 s GLU 27 Ca -0.04 -1.17 0.00 0.00 0.04 0.00 0.00 54.97 53.80 3i89 s GLU 27 Cb 0.16 -3.22 0.00 0.00 0.02 0.00 0.00 34.13 31.09 3i89 s GLU 27 CO 0.71 -0.58 0.00 -0.25 -1.84 0.00 0.00 175.26 173.30 3i89 n ASP 28 N 4.69 0.00 -4.30 0.83 9.92 -1.19 -5.04 116.55 121.46 3i89 n ASP 28 Ca -0.14 0.00 -0.34 0.00 -0.53 0.00 0.00 54.79 53.79 3i89 n ASP 28 Cb 0.45 0.00 -0.15 0.00 -0.64 0.00 0.00 41.12 40.78 3i89 n ASP 28 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 3i89 s LEU 29 N 0.00 2.67 0.12 0.64 2.96 -1.26 -4.25 118.68 119.56 3i89 s LEU 29 Ca 0.00 -0.41 0.08 0.00 -0.22 0.00 0.00 54.13 53.58 3i89 s LEU 29 Cb 0.00 -1.63 -0.04 0.00 0.50 0.00 0.00 46.19 45.02 3i89 s LEU 29 CO 0.00 0.07 -0.15 0.20 -1.32 0.00 0.00 176.35 175.14 3i89 s ASN 30 N 0.94 4.04 -0.13 3.68 0.01 0.98 -1.04 114.94 123.43 3i89 s ASN 30 Ca -0.02 -0.52 0.02 0.00 -0.71 0.00 0.00 52.86 51.63 3i89 s ASN 30 Cb -0.15 -0.63 0.02 0.00 0.41 0.00 0.00 41.25 40.90 3i89 s ASN 30 CO -0.01 0.17 -0.17 -0.22 -1.51 0.00 0.00 177.10 175.37 3i89 s LEU 31 N -2.21 1.83 -0.22 0.60 2.96 -0.63 -2.01 118.68 119.00 3i89 s LEU 31 Ca 0.19 -0.49 -0.08 0.00 -0.22 0.00 0.00 54.13 53.53 3i89 s LEU 31 Cb -0.11 -1.21 -0.04 0.00 0.50 0.00 0.00 46.19 45.33 3i89 s LEU 31 CO 0.11 0.02 0.10 -0.76 -1.32 0.00 0.00 176.35 174.50 3i89 s LEU 32 N 1.05 3.83 -0.14 -0.68 1.02 0.34 -1.63 118.68 122.47 3i89 s LEU 32 Ca -0.04 0.02 0.02 0.00 0.02 0.00 0.00 54.13 54.15 3i89 s LEU 32 Cb -0.15 -2.00 0.00 0.00 0.02 0.00 0.00 46.19 44.06 3i89 s LEU 32 CO -0.04 0.08 -0.20 -0.63 0.02 0.00 0.00 176.35 175.58 3i89 s ILE 33 N 0.95 2.25 -0.17 -0.59 1.01 0.44 -0.39 121.20 124.70 3i89 s ILE 33 Ca 0.05 -0.92 -0.06 0.00 0.00 0.00 0.00 60.65 59.71 3i89 s ILE 33 Cb -0.14 -1.91 -0.04 0.00 0.01 0.00 0.00 42.46 40.39 3i89 s ILE 33 CO 0.03 0.54 0.04 0.00 0.00 0.00 0.00 174.94 175.55 3i89 s ALA 34 N 0.70 3.30 0.00 9.38 0.00 0.15 -0.18 121.76 135.11 3i89 s ALA 34 Ca -0.09 -0.76 0.00 0.00 0.00 0.00 0.00 51.96 51.11 3i89 s ALA 34 Cb -0.16 -1.82 0.00 0.00 0.00 0.00 0.00 23.12 21.14 3i89 s ALA 34 CO 0.01 0.19 0.00 1.63 0.00 0.00 0.00 175.76 177.59 3i89 n LYS 35 N 3.53 0.00 0.11 0.00 4.76 -0.51 -2.58 118.16 123.48 3i89 n LYS 35 Ca -0.17 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.27 3i89 n LYS 35 Cb 0.52 -0.02 0.00 0.00 -1.84 0.00 0.00 35.03 33.69 3i89 n LYS 35 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 3i89 n ASN 36 N -1.36 0.03 -1.99 4.39 5.15 -1.26 -3.62 115.26 116.59 3i89 n ASN 36 Ca 0.00 0.37 -0.03 0.00 -0.60 0.00 0.00 54.58 54.32 3i89 n ASN 36 Cb 0.00 0.25 0.06 0.00 -0.53 0.00 0.00 39.78 39.56 3i89 n ASN 36 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 3i89 n THR 37 N -3.34 1.29 -3.89 -0.44 -2.24 -1.26 -1.15 114.28 103.25 3i89 n THR 37 Ca 0.00 -2.68 -0.15 0.00 -2.27 0.00 0.00 64.05 58.95 3i89 n THR 37 Cb 0.01 0.53 -0.15 0.00 -2.10 0.00 0.00 70.33 68.62 3i89 n THR 37 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3i89 s ARG 38 N -2.62 0.15 -0.23 -0.78 1.81 -1.26 -0.94 118.95 115.08 3i89 s ARG 38 Ca 0.35 0.06 0.01 0.00 -1.72 0.00 0.00 55.73 54.44 3i89 s ARG 38 Cb 0.36 -0.30 0.04 0.00 -0.45 0.00 0.00 34.95 34.61 3i89 s ARG 38 CO -0.07 -0.09 -0.14 -1.17 -0.68 0.00 0.00 175.30 173.16 3i89 s LEU 39 N 0.69 2.89 -0.15 2.53 2.96 0.49 -1.42 118.68 126.67 3i89 s LEU 39 Ca -0.06 -1.02 -0.07 0.00 -0.22 0.00 0.00 54.13 52.75 3i89 s LEU 39 Cb -0.09 -1.54 -0.04 0.00 0.50 0.00 0.00 46.19 45.02 3i89 s LEU 39 CO -0.02 -0.11 0.10 -1.61 -1.32 0.00 0.00 176.35 173.40 3i89 s GLU 40 N 1.21 3.71 -0.18 1.98 2.02 0.74 -2.18 118.70 126.01 3i89 s GLU 40 Ca -0.02 -0.25 -0.02 0.00 0.02 0.00 0.00 54.97 54.71 3i89 s GLU 40 Cb -0.17 -3.20 0.05 0.00 0.10 0.00 0.00 34.13 30.92 3i89 s GLU 40 CO -0.08 0.51 -0.00 0.42 0.02 0.00 0.00 175.26 176.13 3i89 s ILE 41 N -0.29 0.78 0.22 -1.63 1.01 -0.67 -0.42 121.20 120.22 3i89 s ILE 41 Ca 0.10 -0.57 0.12 0.00 0.00 0.00 0.00 60.65 60.29 3i89 s ILE 41 Cb -0.12 -1.13 -0.05 0.00 0.01 0.00 0.00 42.46 41.18 3i89 s ILE 41 CO 0.01 -0.05 -0.23 -0.31 0.00 0.00 0.00 174.94 174.37 3i89 s TYR 42 N 1.76 2.30 -0.20 3.97 1.51 -0.65 -0.44 117.35 125.59 3i89 s TYR 42 Ca -0.00 -0.35 -0.05 0.00 -1.01 0.00 0.00 57.07 55.65 3i89 s TYR 42 Cb -0.16 -1.09 -0.03 0.00 -0.11 0.00 0.00 41.96 40.58 3i89 s TYR 42 CO -0.07 0.58 0.01 0.08 -1.11 0.00 0.00 175.55 175.04 3i89 s VAL 43 N -1.97 4.04 0.37 0.71 1.01 0.19 -1.60 120.40 123.16 3i89 s VAL 43 Ca 0.24 -0.28 -0.27 0.00 0.00 0.00 0.00 61.98 61.67 3i89 s VAL 43 Cb -0.07 -2.83 -0.09 0.00 0.00 0.00 0.00 36.38 33.38 3i89 s VAL 43 CO 0.12 0.42 1.29 -0.69 0.00 0.00 0.00 175.10 176.24 3i89 s VAL 44 N 1.00 2.72 0.13 2.92 1.01 -0.20 0.11 120.40 128.09 3i89 s VAL 44 Ca 0.02 0.67 -0.06 0.00 0.00 0.00 0.00 61.98 62.61 3i89 s VAL 44 Cb -0.14 -3.41 -0.02 0.00 0.00 0.00 0.00 36.38 32.81 3i89 s VAL 44 CO 0.02 0.12 0.18 0.42 0.00 0.00 0.00 175.10 175.84 3i89 s THR 45 N -1.23 0.11 0.12 3.92 -4.23 0.53 -4.76 115.64 110.10 3i89 s THR 45 Ca 0.54 -1.50 -0.05 0.00 -1.18 0.00 0.00 61.69 59.49 3i89 s THR 45 Cb -0.38 -1.74 0.19 0.00 1.34 0.00 0.00 72.50 71.90 3i89 s THR 45 CO 0.49 -0.48 0.72 0.00 -0.54 0.00 0.00 174.62 174.81 3i89 n ALA 46 N -0.12 0.07 -0.03 3.99 0.00 -1.26 0.02 120.51 123.18 3i89 n ALA 46 Ca -0.09 0.50 -0.13 0.00 0.00 0.00 0.00 53.44 53.71 3i89 n ALA 46 Cb 0.63 -0.28 -0.10 0.00 0.00 0.00 0.00 19.45 19.70 3i89 n ALA 46 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3i89 h GLU 47 N 0.00 0.13 0.00 0.00 4.22 -2.00 -3.50 114.58 113.43 3i89 h GLU 47 Ca 0.21 -0.08 0.00 0.00 0.08 0.00 0.00 59.36 59.56 3i89 h GLU 47 Cb 0.32 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.58 3i89 h GLU 47 CO -0.47 0.67 0.00 0.41 -2.18 0.00 0.00 179.01 177.43 3i89 n GLY 48 N 0.45 -0.54 3.13 1.92 0.00 0.10 -5.10 105.19 105.16 3i89 n GLY 48 Ca -0.08 0.14 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 3i89 n GLY 48 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i89 s LEU 49 N 0.00 4.72 -0.65 0.99 1.02 -1.26 0.20 118.68 123.70 3i89 s LEU 49 Ca 0.00 -1.76 -0.27 0.00 0.02 0.00 0.00 54.13 52.12 3i89 s LEU 49 Cb 0.00 -1.77 0.02 0.00 0.02 0.00 0.00 46.19 44.45 3i89 s LEU 49 CO 0.00 -0.43 1.41 -0.60 0.02 0.00 0.00 176.35 176.75 3i89 s ARG 50 N 1.16 3.16 0.43 1.70 3.52 0.30 -4.85 118.95 124.37 3i89 s ARG 50 Ca 0.04 0.14 -0.25 0.00 -0.13 0.00 0.00 55.73 55.53 3i89 s ARG 50 Cb -0.21 -4.18 -0.08 0.00 -1.56 0.00 0.00 34.95 28.91 3i89 s ARG 50 CO -0.03 -2.14 1.26 -2.14 -0.81 0.00 0.00 175.30 171.44 3i89 s PRO 51 N 5.82 3.86 0.00 5.12 0.02 -1.26 0.57 135.00 149.13 3i89 s PRO 51 Ca 0.46 2.05 0.00 0.00 0.02 0.00 0.00 61.00 63.53 3i89 s PRO 51 Cb -0.09 -2.63 0.00 0.00 0.02 0.00 0.00 34.50 31.79 3i89 s PRO 51 CO 0.20 -0.55 0.00 0.28 -0.33 0.00 0.00 177.00 176.60 3i89 n VAL 52 N -0.10 0.00 -3.64 3.83 0.31 0.41 -4.86 118.33 114.27 3i89 n VAL 52 Ca 0.05 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.29 3i89 n VAL 52 Cb 0.45 -0.07 -0.07 0.00 -0.91 0.00 0.00 33.84 33.24 3i89 n VAL 52 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 3i89 s LYS 53 N -1.08 0.70 -0.40 5.55 2.47 -1.04 -5.03 119.74 120.92 3i89 s LYS 53 Ca 0.00 1.13 0.02 0.00 -1.56 0.00 0.00 55.97 55.56 3i89 s LYS 53 Cb 0.00 0.18 0.12 0.00 -1.46 0.00 0.00 37.83 36.67 3i89 s LYS 53 CO 0.00 -0.14 0.17 -2.00 0.16 0.00 0.00 175.35 173.54 3i89 s GLU 54 N 1.33 1.32 0.02 4.03 -6.30 -1.26 -1.66 118.70 116.17 3i89 s GLU 54 Ca -0.08 -1.87 -0.05 0.00 -2.50 0.00 0.00 54.97 50.47 3i89 s GLU 54 Cb -0.05 -2.62 -0.05 0.00 0.00 0.00 0.00 34.13 31.41 3i89 s GLU 54 CO -0.15 -1.06 0.25 0.14 0.02 0.00 0.00 175.26 174.46 3i89 s VAL 55 N 0.66 5.33 0.37 3.70 -7.23 -0.93 -4.92 120.40 117.38 3i89 s VAL 55 Ca 0.14 0.05 0.04 0.00 -1.81 0.00 0.00 61.98 60.40 3i89 s VAL 55 Cb -0.22 -3.57 -0.01 0.00 0.56 0.00 0.00 36.38 33.15 3i89 s VAL 55 CO -0.08 0.32 0.54 -0.83 -0.31 0.00 0.00 175.10 174.74 3i89 s GLY 56 N -1.86 1.54 0.29 2.32 0.00 -1.26 0.18 107.32 108.54 3i89 s GLY 56 Ca 0.29 -1.26 0.02 0.00 0.00 0.00 0.00 44.72 43.77 3i89 s GLY 56 CO 0.18 -1.16 0.08 1.06 0.00 0.00 0.00 173.10 173.26 3i89 s MET 57 N -4.31 1.54 -0.86 2.90 -1.94 -0.11 -4.75 119.30 111.76 3i89 s MET 57 Ca 0.45 -1.84 -0.02 0.00 -1.71 0.00 0.00 55.69 52.57 3i89 s MET 57 Cb -0.10 -0.55 0.34 0.00 2.01 0.00 0.00 34.83 36.53 3i89 s MET 57 CO 0.34 -0.25 2.02 0.66 -0.01 0.00 0.00 175.02 177.78 3i89 n TYR 58 N -0.58 2.95 -3.60 -0.03 4.01 -1.26 -4.84 117.16 113.81 3i89 n TYR 58 Ca -0.01 -2.34 -0.04 0.00 -0.16 0.00 0.00 57.90 55.35 3i89 n TYR 58 Cb 0.66 -1.19 -0.02 0.00 -0.31 0.00 0.00 39.34 38.48 3i89 n TYR 58 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 3i89 s GLY 59 N -1.09 -0.27 -0.52 2.72 0.00 -1.26 -4.62 107.32 102.28 3i89 s GLY 59 Ca 0.51 1.68 -0.23 0.00 0.00 0.00 0.00 44.72 46.68 3i89 s GLY 59 CO -0.39 0.58 0.83 0.54 0.00 0.00 0.00 173.10 174.66 3i89 s LYS 60 N -2.31 3.29 -0.27 2.90 1.02 -1.26 -4.12 119.74 118.99 3i89 s LYS 60 Ca 0.09 -0.41 -0.34 0.00 0.02 0.00 0.00 55.97 55.34 3i89 s LYS 60 Cb -0.01 -4.05 -0.10 0.00 -0.52 0.00 0.00 37.83 33.15 3i89 s LYS 60 CO -0.05 -1.35 2.11 -0.89 -0.92 0.00 0.00 175.35 174.26 3i89 n ILE 61 N 6.03 0.31 -0.09 2.17 5.41 -0.30 -0.84 119.36 132.04 3i89 n ILE 61 Ca -0.00 -0.26 -0.12 0.00 1.00 0.00 0.00 62.75 63.37 3i89 n ILE 61 Cb 0.47 -1.86 -0.11 0.00 -0.71 0.00 0.00 39.64 37.43 3i89 n ILE 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3i89 n ALA 62 N 9.36 1.58 -2.51 -1.39 0.00 0.41 -4.89 120.51 123.07 3i89 n ALA 62 Ca 0.34 -0.94 -0.24 0.00 0.00 0.00 0.00 53.44 52.60 3i89 n ALA 62 Cb 0.28 -0.01 -0.14 0.00 0.00 0.00 0.00 19.45 19.58 3i89 n ALA 62 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3i89 s VAL 63 N -2.40 1.54 -0.26 0.00 1.01 -0.73 -4.95 120.40 114.62 3i89 s VAL 63 Ca -0.20 -1.11 -0.02 0.00 0.00 0.00 0.00 61.98 60.65 3i89 s VAL 63 Cb 0.06 -1.34 0.15 0.00 0.00 0.00 0.00 36.38 35.25 3i89 s VAL 63 CO 0.54 0.19 0.44 -0.32 0.00 0.00 0.00 175.10 175.95 3i89 s MET 64 N -1.08 0.41 0.05 2.72 0.00 -1.26 -2.30 119.30 117.84 3i89 s MET 64 Ca 0.06 0.68 0.04 0.00 0.00 0.00 0.00 55.69 56.47 3i89 s MET 64 Cb -0.08 -0.17 -0.02 0.00 0.00 0.00 0.00 34.83 34.55 3i89 s MET 64 CO 0.01 -0.62 -0.12 -1.21 0.00 0.00 0.00 175.02 173.08 3i89 s GLU 65 N 2.63 0.76 0.10 4.11 0.41 -0.92 -4.86 118.70 120.95 3i89 s GLU 65 Ca 0.15 -0.79 0.02 0.00 -0.41 0.00 0.00 54.97 53.94 3i89 s GLU 65 Cb -0.15 -0.72 -0.04 0.00 -1.78 0.00 0.00 34.13 31.44 3i89 s GLU 65 CO -0.17 0.16 0.19 -0.51 -0.49 0.00 0.00 175.26 174.44 3i89 s LEU 66 N -1.38 4.16 -0.16 1.80 1.43 -1.26 -0.59 118.68 122.67 3i89 s LEU 66 Ca -0.02 0.13 -0.34 0.00 -1.03 0.00 0.00 54.13 52.86 3i89 s LEU 66 Cb -0.09 -2.77 0.13 0.00 0.03 0.00 0.00 46.19 43.50 3i89 s LEU 66 CO 0.01 0.12 1.20 0.72 0.23 0.00 0.00 176.35 178.63 3i89 s PHE 67 N -1.58 -0.13 -0.20 0.29 -0.12 -0.72 -4.97 117.98 110.54 3i89 s PHE 67 Ca 0.33 0.07 -0.04 0.00 -0.05 0.00 0.00 56.93 57.24 3i89 s PHE 67 Cb -0.12 0.52 0.10 0.00 -0.63 0.00 0.00 43.02 42.89 3i89 s PHE 67 CO 0.26 -0.23 0.34 0.50 -0.05 0.00 0.00 175.22 176.04 3i89 s ARG 68 N -2.46 0.28 0.89 1.99 3.52 -1.26 0.52 118.95 122.41 3i89 s ARG 68 Ca 0.10 0.64 -0.12 0.00 -0.13 0.00 0.00 55.73 56.21 3i89 s ARG 68 Cb -0.01 -0.33 0.17 0.00 -1.56 0.00 0.00 34.95 33.22 3i89 s ARG 68 CO -0.05 -0.49 1.23 -1.25 -0.81 0.00 0.00 175.30 173.93 3i89 s PRO 69 N 2.50 1.04 0.75 5.12 0.05 -1.26 -4.84 135.00 138.36 3i89 s PRO 69 Ca 0.06 -0.51 -0.13 0.00 0.05 0.00 0.00 61.00 60.47 3i89 s PRO 69 Cb -0.14 -1.97 0.05 0.00 0.05 0.00 0.00 34.50 32.49 3i89 s PRO 69 CO -0.13 -2.09 1.15 0.15 0.05 0.00 0.00 177.00 176.13 3i89 s LYS 70 N -5.68 2.14 -1.48 4.56 -0.14 -1.26 -3.29 119.74 114.59 3i89 s LYS 70 Ca 0.71 1.53 -0.07 0.00 -1.36 0.00 0.00 55.97 56.78 3i89 s LYS 70 Cb -0.05 -1.86 0.02 0.00 -1.68 0.00 0.00 37.83 34.26 3i89 s LYS 70 CO 0.50 -1.78 0.83 0.41 -0.76 0.00 0.00 175.35 174.55 3i89 n GLY 71 N -0.13 -0.53 3.15 -3.33 0.00 -1.26 -5.00 105.19 98.09 3i89 n GLY 71 Ca 0.12 0.18 -0.29 0.00 0.00 0.00 0.00 46.02 46.02 3i89 n GLY 71 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i89 s GLU 72 N -5.99 2.49 0.12 1.61 0.41 -1.21 -5.06 118.70 111.08 3i89 s GLU 72 Ca 0.43 -0.70 -0.13 0.00 -0.41 0.00 0.00 54.97 54.16 3i89 s GLU 72 Cb -0.19 -1.94 -0.08 0.00 -1.78 0.00 0.00 34.13 30.13 3i89 s GLU 72 CO 0.53 0.14 1.42 0.66 -0.49 0.00 0.00 175.26 177.53 3i89 h SER 73 N 6.75 0.88 -5.52 -0.19 4.64 -1.94 -3.47 113.55 114.69 3i89 h SER 73 Ca -0.24 -0.49 -0.24 0.00 -0.47 0.00 0.00 61.79 60.35 3i89 h SER 73 Cb 1.22 -0.25 -0.11 0.00 -0.31 0.00 0.00 62.40 62.95 3i89 h SER 73 CO 0.47 1.20 -0.32 -1.59 -0.87 0.00 0.00 176.83 175.72 3i89 s LYS 74 N -4.29 1.63 0.57 4.77 -2.85 -1.26 -4.45 119.74 113.86 3i89 s LYS 74 Ca -0.12 -1.64 -0.20 0.00 -1.00 0.00 0.00 55.97 53.02 3i89 s LYS 74 Cb 0.10 0.39 -0.04 0.00 -2.06 0.00 0.00 37.83 36.22 3i89 s LYS 74 CO 0.86 -0.64 1.23 -0.51 0.10 0.00 0.00 175.35 176.39 3i89 s ASP 75 N -3.18 5.30 0.23 0.03 -0.00 -0.67 -4.88 116.67 113.50 3i89 s ASP 75 Ca 0.32 2.44 0.09 0.00 -0.00 0.00 0.00 52.55 55.40 3i89 s ASP 75 Cb 0.02 -2.60 -0.04 0.00 -0.00 0.00 0.00 42.92 40.29 3i89 s ASP 75 CO 0.16 -1.52 -0.03 -0.76 -0.00 0.00 0.00 175.17 173.03 3i89 s LEU 76 N -3.88 3.15 -0.22 1.23 1.43 0.18 -4.68 118.68 115.89 3i89 s LEU 76 Ca 0.75 -0.60 -0.04 0.00 -1.03 0.00 0.00 54.13 53.21 3i89 s LEU 76 Cb -0.32 -1.73 -0.01 0.00 0.03 0.00 0.00 46.19 44.16 3i89 s LEU 76 CO 0.35 0.04 -0.03 -0.22 0.23 0.00 0.00 176.35 176.72 3i89 s LEU 77 N -3.39 2.97 -0.17 1.79 2.96 0.10 -1.75 118.68 121.20 3i89 s LEU 77 Ca 0.29 -0.36 -0.14 0.00 -0.22 0.00 0.00 54.13 53.70 3i89 s LEU 77 Cb -0.07 -1.76 -0.05 0.00 0.50 0.00 0.00 46.19 44.81 3i89 s LEU 77 CO 0.19 -0.02 0.30 0.12 -1.32 0.00 0.00 176.35 175.61 3i89 s PHE 78 N 1.49 3.45 -0.05 5.38 5.36 0.24 0.53 117.98 134.38 3i89 s PHE 78 Ca 0.06 0.58 0.01 0.00 -0.96 0.00 0.00 56.93 56.63 3i89 s PHE 78 Cb -0.14 -2.36 0.02 0.00 -0.34 0.00 0.00 43.02 40.20 3i89 s PHE 78 CO -0.02 0.21 -0.07 0.42 -1.46 0.00 0.00 175.22 174.30 3i89 s ILE 79 N 0.56 0.73 -0.18 3.12 1.01 -0.52 -2.16 121.20 123.76 3i89 s ILE 79 Ca 0.16 -0.24 0.01 0.00 0.00 0.00 0.00 60.65 60.58 3i89 s ILE 79 Cb -0.13 -0.72 0.01 0.00 0.01 0.00 0.00 42.46 41.64 3i89 s ILE 79 CO 0.04 0.27 -0.18 -0.22 0.00 0.00 0.00 174.94 174.85 3i89 s LEU 80 N 0.84 2.24 0.87 2.97 2.96 -0.97 -1.56 118.68 126.03 3i89 s LEU 80 Ca -0.12 -0.60 -0.12 0.00 -0.22 0.00 0.00 54.13 53.07 3i89 s LEU 80 Cb -0.15 -1.51 0.11 0.00 0.50 0.00 0.00 46.19 45.14 3i89 s LEU 80 CO 0.01 0.02 1.15 -0.89 -1.32 0.00 0.00 176.35 175.32 3i89 s THR 81 N 1.19 2.10 -1.25 3.68 2.01 -0.40 -0.44 115.64 122.53 3i89 s THR 81 Ca 0.02 0.03 0.30 0.00 0.31 0.00 0.00 61.69 62.35 3i89 s THR 81 Cb -0.14 -2.87 0.39 0.00 0.01 0.00 0.00 72.50 69.90 3i89 s THR 81 CO -0.09 -0.04 1.98 0.00 -0.69 0.00 0.00 174.62 175.78 3i89 n ALA 82 N -3.58 2.46 -1.11 7.40 0.00 -0.02 -2.34 120.51 123.33 3i89 n ALA 82 Ca 0.07 -0.14 0.04 0.00 0.00 0.00 0.00 53.44 53.41 3i89 n ALA 82 Cb 0.60 -1.46 0.25 0.00 0.00 0.00 0.00 19.45 18.84 3i89 n ALA 82 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3i89 n LYS 83 N -1.36 2.80 -1.64 0.00 5.02 -1.26 -4.95 118.16 116.77 3i89 n LYS 83 Ca 0.11 -2.96 -0.06 0.00 -2.02 0.00 0.00 58.31 53.38 3i89 n LYS 83 Cb 0.29 -1.90 -0.02 0.00 -0.02 0.00 0.00 35.03 33.38 3i89 n LYS 83 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3i89 n TYR 84 N -0.60 -0.15 -2.30 2.13 4.02 -0.99 -4.78 117.16 114.49 3i89 n TYR 84 Ca 0.27 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.75 3i89 n TYR 84 Cb 1.00 -1.67 -0.03 0.00 -0.02 0.00 0.00 39.34 38.63 3i89 n TYR 84 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 3i89 s ASN 85 N -2.82 5.92 0.53 7.72 -0.87 -1.26 -0.18 114.94 123.97 3i89 s ASN 85 Ca 0.00 0.27 -0.14 0.00 -1.57 0.00 0.00 52.86 51.41 3i89 s ASN 85 Cb 0.00 -2.54 -0.07 0.00 -0.02 0.00 0.00 41.25 38.62 3i89 s ASN 85 CO 0.00 -1.88 0.97 0.00 -2.57 0.00 0.00 177.10 173.61 3i89 s ALA 86 N 6.78 3.11 -0.00 0.60 0.00 -0.55 -1.28 121.76 130.42 3i89 s ALA 86 Ca 0.55 0.07 -0.30 0.00 0.00 0.00 0.00 51.96 52.28 3i89 s ALA 86 Cb -0.12 -3.06 0.11 0.00 0.00 0.00 0.00 23.12 20.05 3i89 s ALA 86 CO 0.23 -0.31 1.12 0.00 0.00 0.00 0.00 175.76 176.80 3i89 s ILE 88 N -2.77 0.42 0.28 0.00 1.01 -0.45 -1.44 121.20 118.24 3i89 s ILE 88 Ca 0.11 -0.02 0.08 0.00 0.00 0.00 0.00 60.65 60.82 3i89 s ILE 88 Cb 0.01 -0.64 -0.04 0.00 0.01 0.00 0.00 42.46 41.80 3i89 s ILE 88 CO -0.03 0.17 0.17 -0.76 0.00 0.00 0.00 174.94 174.49 3i89 s LEU 89 N 1.95 3.63 0.00 2.97 1.43 0.19 0.18 118.68 129.03 3i89 s LEU 89 Ca 0.04 -0.40 0.00 0.00 -1.03 0.00 0.00 54.13 52.74 3i89 s LEU 89 Cb -0.13 -2.17 -0.01 0.00 0.03 0.00 0.00 46.19 43.92 3i89 s LEU 89 CO -0.06 -0.10 -0.01 -0.70 0.23 0.00 0.00 176.35 175.70 3i89 s GLU 90 N -3.84 0.11 -0.16 1.70 2.12 0.00 -0.72 118.70 117.91 3i89 s GLU 90 Ca 0.34 -0.16 -0.25 0.00 0.36 0.00 0.00 54.97 55.26 3i89 s GLU 90 Cb -0.07 -0.02 -0.02 0.00 0.26 0.00 0.00 34.13 34.29 3i89 s GLU 90 CO 0.24 -0.00 0.81 -0.47 -0.54 0.00 0.00 175.26 175.30 3i89 s TYR 91 N -0.35 3.43 -0.34 5.30 5.04 -1.26 -0.50 117.35 128.66 3i89 s TYR 91 Ca -0.04 1.24 -0.01 0.00 -2.44 0.00 0.00 57.07 55.83 3i89 s TYR 91 Cb -0.03 -2.99 0.11 0.00 0.35 0.00 0.00 41.96 39.41 3i89 s TYR 91 CO -0.00 -0.21 0.15 0.21 -1.34 0.00 0.00 175.55 174.36 3i89 s LYS 92 N 2.01 0.73 -0.47 4.97 2.47 0.15 -4.97 119.74 124.62 3i89 s LYS 92 Ca 0.38 -1.24 -0.14 0.00 -1.56 0.00 0.00 55.97 53.41 3i89 s LYS 92 Cb -0.17 -1.82 0.08 0.00 -1.46 0.00 0.00 37.83 34.46 3i89 s LYS 92 CO 0.13 -1.07 0.38 -1.14 0.16 0.00 0.00 175.35 173.81 3i89 s GLN 93 N 1.32 2.90 -1.37 4.03 0.74 -1.26 -0.47 119.66 125.56 3i89 s GLN 93 Ca 0.13 -1.41 -0.16 0.00 0.05 0.00 0.00 55.36 53.96 3i89 s GLN 93 Cb -0.20 -4.08 0.05 0.00 1.10 0.00 0.00 33.01 29.88 3i89 s GLN 93 CO -0.17 -1.05 2.00 0.43 -0.55 0.00 0.00 175.29 175.95 3i89 n SER 94 N 5.15 4.29 0.00 6.67 7.64 0.50 -4.79 113.62 133.08 3i89 n SER 94 Ca -0.12 -2.87 0.00 0.00 1.01 0.00 0.00 58.87 56.89 3i89 n SER 94 Cb 0.43 -1.69 0.00 0.00 -1.01 0.00 0.00 64.21 61.94 3i89 n SER 94 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i89 n GLY 95 N 4.72 1.06 0.05 0.23 0.00 -1.26 -2.49 105.19 107.49 3i89 n GLY 95 Ca 0.50 0.22 -0.06 0.00 0.00 0.00 0.00 46.02 46.68 3i89 n GLY 95 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3i89 n GLU 96 N 0.00 0.53 -2.10 1.61 0.00 -1.26 -4.99 120.64 114.43 3i89 n GLU 96 Ca 0.00 0.05 -0.41 0.00 0.00 0.00 0.00 57.16 56.79 3i89 n GLU 96 Cb 0.00 -1.19 -0.03 0.00 0.00 0.00 0.00 31.44 30.23 3i89 n GLU 96 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.13 176.01 3i89 s SER 97 N -4.79 6.76 0.03 -1.84 0.01 -1.04 -5.02 113.70 107.81 3i89 s SER 97 Ca -0.12 2.56 0.04 0.00 1.31 0.00 0.00 55.95 59.74 3i89 s SER 97 Cb 0.03 -2.62 -0.04 0.00 0.21 0.00 0.00 66.02 63.61 3i89 s SER 97 CO 0.23 -0.62 -0.07 0.27 0.41 0.00 0.00 173.24 173.46 3i89 s ILE 98 N -0.01 3.63 -0.15 1.44 -0.00 -1.26 -0.37 121.20 124.47 3i89 s ILE 98 Ca 0.58 -0.89 -0.15 0.00 -0.00 0.00 0.00 60.65 60.19 3i89 s ILE 98 Cb -0.39 -2.62 0.04 0.00 -0.00 0.00 0.00 42.46 39.49 3i89 s ILE 98 CO 0.42 0.31 0.43 -1.81 -0.00 0.00 0.00 174.94 174.29 3i89 s ASP 99 N -1.65 -0.44 -0.26 4.36 1.01 0.38 -4.96 116.67 115.11 3i89 s ASP 99 Ca 0.19 0.83 -0.09 0.00 0.71 0.00 0.00 52.55 54.19 3i89 s ASP 99 Cb -0.11 0.85 -0.04 0.00 1.01 0.00 0.00 42.92 44.63 3i89 s ASP 99 CO 0.10 -0.17 0.12 -0.63 0.21 0.00 0.00 175.17 174.80 3i89 s ILE 100 N 0.14 4.79 0.03 0.77 1.01 -1.26 0.29 121.20 126.97 3i89 s ILE 100 Ca -0.01 -0.01 0.02 0.00 0.00 0.00 0.00 60.65 60.65 3i89 s ILE 100 Cb -0.03 -3.26 -0.04 0.00 0.01 0.00 0.00 42.46 39.14 3i89 s ILE 100 CO 0.01 0.31 0.05 -0.51 0.00 0.00 0.00 174.94 174.80 3i89 s ILE 101 N 1.61 4.47 -0.42 2.92 2.07 0.34 -4.89 121.20 127.30 3i89 s ILE 101 Ca 0.07 -0.62 -0.18 0.00 -1.41 0.00 0.00 60.65 58.51 3i89 s ILE 101 Cb -0.15 -3.07 0.02 0.00 0.13 0.00 0.00 42.46 39.38 3i89 s ILE 101 CO 0.07 0.27 0.49 -0.89 -1.91 0.00 0.00 174.94 172.96 3i89 s THR 102 N -1.24 5.02 -0.07 4.00 2.01 -1.26 -0.82 115.64 123.28 3i89 s THR 102 Ca 0.24 -0.18 0.13 0.00 0.31 0.00 0.00 61.69 62.19 3i89 s THR 102 Cb -0.12 -4.07 -0.07 0.00 0.01 0.00 0.00 72.50 68.25 3i89 s THR 102 CO 0.16 -0.45 1.19 0.03 -0.69 0.00 0.00 174.62 174.86 3i89 h ARG 103 N 8.74 0.00 -2.82 4.92 2.47 -0.60 -3.48 114.38 123.61 3i89 h ARG 103 Ca -0.26 0.00 0.06 0.00 -1.26 0.00 0.00 59.98 58.52 3i89 h ARG 103 Cb 1.11 0.00 -0.09 0.00 -1.65 0.00 0.00 29.97 29.34 3i89 h ARG 103 CO 0.82 0.57 0.29 0.00 0.56 0.00 0.00 179.97 182.20 3i89 s ALA 104 N -2.86 -1.47 -0.28 0.04 0.00 -1.22 -4.82 121.76 111.15 3i89 s ALA 104 Ca 0.01 0.15 -0.28 0.00 0.00 0.00 0.00 51.96 51.84 3i89 s ALA 104 Cb 0.08 0.78 0.19 0.00 0.00 0.00 0.00 23.12 24.18 3i89 s ALA 104 CO 0.79 -0.92 1.36 -3.38 0.00 0.00 0.00 175.76 173.61 3i89 s HIS 105 N -3.68 -0.07 -0.20 0.00 -3.43 -0.86 -1.34 115.29 105.70 3i89 s HIS 105 Ca 0.07 0.15 -0.32 0.00 -0.80 0.00 0.00 55.06 54.16 3i89 s HIS 105 Cb -0.03 0.49 0.15 0.00 -1.43 0.00 0.00 32.58 31.75 3i89 s HIS 105 CO -0.02 -0.06 1.18 0.20 -2.00 0.00 0.00 174.74 174.05 3i89 s GLY 106 N -0.65 -0.20 -0.22 -1.38 0.00 -1.07 -4.13 107.32 99.67 3i89 s GLY 106 Ca 0.08 1.99 -0.25 0.00 0.00 0.00 0.00 44.72 46.54 3i89 s GLY 106 CO -0.10 0.79 0.85 0.21 0.00 0.00 0.00 173.10 174.85 3i89 s ASN 107 N -1.65 6.90 -0.09 1.64 3.84 -1.26 -1.48 114.94 122.83 3i89 s ASN 107 Ca 0.07 1.11 0.18 0.00 0.21 0.00 0.00 52.86 54.43 3i89 s ASN 107 Cb -0.01 -2.45 0.67 0.00 -0.55 0.00 0.00 41.25 38.91 3i89 s ASN 107 CO -0.04 -0.49 1.58 1.33 -2.79 0.00 0.00 177.10 176.69 3i89 n VAL 108 N 5.09 1.68 -1.09 -5.21 0.24 0.75 -4.96 118.33 114.83 3i89 n VAL 108 Ca 0.06 -1.20 -0.29 0.00 -2.04 0.00 0.00 64.34 60.87 3i89 n VAL 108 Cb 0.48 0.19 0.17 0.00 -1.47 0.00 0.00 33.84 33.21 3i89 n VAL 108 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i89 s GLN 109 N -1.72 0.50 0.10 7.34 -2.07 -1.26 -5.05 119.66 117.51 3i89 s GLN 109 Ca 0.48 0.67 0.07 0.00 -1.82 0.00 0.00 55.36 54.76 3i89 s GLN 109 Cb 0.30 -1.73 -0.03 0.00 -1.09 0.00 0.00 33.01 30.46 3i89 s GLN 109 CO 0.24 -2.72 -0.19 -0.51 -1.32 0.00 0.00 175.29 170.80 3i89 s ASP 110 N -3.31 2.30 0.35 12.60 1.11 -1.26 -5.03 116.67 123.44 3i89 s ASP 110 Ca 0.65 -0.69 0.03 0.00 0.18 0.00 0.00 52.55 52.73 3i89 s ASP 110 Cb -0.19 -0.11 0.65 0.00 1.07 0.00 0.00 42.92 44.33 3i89 s ASP 110 CO 0.58 0.01 1.97 -0.09 1.18 0.00 0.00 175.17 178.82 3i89 h ARG 111 N 4.04 0.71 0.00 8.23 9.65 -2.03 -3.43 114.38 131.55 3i89 h ARG 111 Ca -0.44 -0.07 0.00 0.00 -1.10 0.00 0.00 59.98 58.36 3i89 h ARG 111 Cb 1.19 -0.14 0.00 0.00 -1.39 0.00 0.00 29.97 29.62 3i89 h ARG 111 CO 0.41 0.53 0.00 -0.89 2.80 0.00 0.00 179.97 182.82 3i89 n ILE 112 N -4.40 0.00 -1.01 1.20 -0.00 -1.26 -5.02 119.36 108.88 3i89 n ILE 112 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.79 3i89 n ILE 112 Cb 0.11 -1.78 0.00 0.00 -0.00 0.00 0.00 39.64 37.97 3i89 n ILE 112 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 3i89 n GLY 113 N 5.00 -4.04 3.67 7.39 0.00 -1.26 -4.99 105.19 110.95 3i89 n GLY 113 Ca 0.00 -0.58 -0.38 0.00 0.00 0.00 0.00 46.02 45.06 3i89 n GLY 113 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3i89 s ARG 114 N -2.22 4.16 0.35 1.61 3.52 -1.26 -5.02 118.95 120.08 3i89 s ARG 114 Ca 0.00 0.15 -0.29 0.00 -0.13 0.00 0.00 55.73 55.47 3i89 s ARG 114 Cb 0.00 -3.54 -0.11 0.00 -1.56 0.00 0.00 34.95 29.74 3i89 s ARG 114 CO 0.00 -0.04 1.47 -2.14 -0.81 0.00 0.00 175.30 173.78 3i89 s PRO 115 N 1.32 4.16 0.00 5.12 0.02 -1.26 -3.31 135.00 141.05 3i89 s PRO 115 Ca 0.18 2.50 0.00 0.00 0.02 0.00 0.00 61.00 63.70 3i89 s PRO 115 Cb -0.15 -3.00 0.00 0.00 0.02 0.00 0.00 34.50 31.37 3i89 s PRO 115 CO 0.08 -0.49 0.00 -1.13 -0.33 0.00 0.00 177.00 175.13 3i89 n SER 116 N 0.91 0.00 -4.42 2.53 3.41 -0.97 -4.83 113.62 110.25 3i89 n SER 116 Ca 0.02 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.28 3i89 n SER 116 Cb 0.39 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.22 3i89 n SER 116 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3i89 s GLU 117 N 0.59 3.58 0.00 4.33 2.56 -1.26 -3.81 118.70 124.69 3i89 s GLU 117 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 54.97 54.44 3i89 s GLU 117 Cb 0.00 -3.12 0.00 0.00 2.00 0.00 0.00 34.13 33.01 3i89 s GLU 117 CO 0.00 -0.08 0.00 2.41 -0.56 0.00 0.00 175.26 177.03 3i89 n THR 118 N 4.51 0.00 -2.63 -1.70 -1.04 -1.26 -4.67 114.28 107.49 3i89 n THR 118 Ca -0.17 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.84 3i89 n THR 118 Cb 0.51 -0.03 0.00 0.00 -1.82 0.00 0.00 70.33 69.00 3i89 n THR 118 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3i89 n GLY 119 N -2.39 0.84 3.76 3.41 0.00 -1.25 -4.71 105.19 104.86 3i89 n GLY 119 Ca 0.00 -0.73 -0.39 0.00 0.00 0.00 0.00 46.02 44.90 3i89 n GLY 119 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i89 s ILE 120 N 0.00 2.57 -0.05 -0.61 1.01 -1.26 -4.75 121.20 118.11 3i89 s ILE 120 Ca 0.00 0.48 -0.00 0.00 0.00 0.00 0.00 60.65 61.13 3i89 s ILE 120 Cb 0.00 -3.27 0.03 0.00 0.01 0.00 0.00 42.46 39.22 3i89 s ILE 120 CO 0.00 0.05 -0.01 -0.63 0.00 0.00 0.00 174.94 174.35 3i89 s ILE 121 N -1.31 0.34 -0.03 2.92 1.01 -0.58 -5.00 121.20 118.55 3i89 s ILE 121 Ca 0.61 0.07 0.01 0.00 0.00 0.00 0.00 60.65 61.33 3i89 s ILE 121 Cb -0.37 -0.46 -0.03 0.00 0.01 0.00 0.00 42.46 41.61 3i89 s ILE 121 CO 0.47 0.22 -0.03 -0.83 0.00 0.00 0.00 174.94 174.77 3i89 s GLY 122 N 1.47 1.81 0.07 6.18 0.00 -1.26 -0.82 107.32 114.78 3i89 s GLY 122 Ca -0.03 -0.93 -0.02 0.00 0.00 0.00 0.00 44.72 43.74 3i89 s GLY 122 CO -0.03 -0.76 0.03 -0.26 0.00 0.00 0.00 173.10 172.08 3i89 s ILE 123 N -0.98 0.19 -0.05 0.90 -4.36 0.18 -4.99 121.20 112.09 3i89 s ILE 123 Ca 0.17 -1.71 0.02 0.00 -0.26 0.00 0.00 60.65 58.86 3i89 s ILE 123 Cb -0.11 -1.58 0.01 0.00 1.25 0.00 0.00 42.46 42.03 3i89 s ILE 123 CO 0.07 -0.85 -0.09 -0.63 0.24 0.00 0.00 174.94 173.67 3i89 s ILE 124 N -3.93 0.90 0.25 8.37 1.01 -1.26 -0.04 121.20 126.49 3i89 s ILE 124 Ca 0.09 -0.36 -0.30 0.00 0.00 0.00 0.00 60.65 60.08 3i89 s ILE 124 Cb 0.07 -0.83 -0.11 0.00 0.01 0.00 0.00 42.46 41.60 3i89 s ILE 124 CO -0.08 0.30 1.56 -0.62 0.00 0.00 0.00 174.94 176.09 3i89 s ASP 125 N 0.61 6.49 0.28 3.58 2.15 -1.12 -4.73 116.67 123.92 3i89 s ASP 125 Ca -0.11 2.81 0.02 0.00 0.43 0.00 0.00 52.55 55.70 3i89 s ASP 125 Cb -0.14 -2.62 0.65 0.00 -0.30 0.00 0.00 42.92 40.51 3i89 s ASP 125 CO 0.02 -0.84 1.74 1.55 -0.17 0.00 0.00 175.17 177.47 3i89 h PRO 126 N 5.42 0.55 0.00 4.34 0.13 -1.92 0.11 132.00 140.63 3i89 h PRO 126 Ca -0.46 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3i89 h PRO 126 Cb 1.21 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.22 3i89 h PRO 126 CO 0.83 0.36 0.00 0.39 -0.23 0.00 0.00 178.00 179.35 3i89 n GLU 127 N -4.92 0.30 -2.01 0.86 1.02 -1.26 -4.87 120.64 109.76 3i89 n GLU 127 Ca 0.20 0.10 -0.13 0.00 -0.02 0.00 0.00 57.16 57.32 3i89 n GLU 127 Cb 0.55 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.45 3i89 n GLU 127 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3i89 h ARG 129 N 0.00 0.00 -2.19 0.00 2.47 -1.90 -3.45 114.38 109.31 3i89 h ARG 129 Ca -0.29 0.00 0.22 0.00 -1.26 0.00 0.00 59.98 58.65 3i89 h ARG 129 Cb 1.12 0.00 -0.07 0.00 -1.65 0.00 0.00 29.97 29.37 3i89 h ARG 129 CO 0.36 0.34 0.63 0.00 0.56 0.00 0.00 179.97 181.87 3i89 s MET 130 N -3.47 0.99 -0.08 0.04 0.23 -1.26 -0.43 119.30 115.31 3i89 s MET 130 Ca 0.01 -0.59 0.01 0.00 -1.03 0.00 0.00 55.69 54.09 3i89 s MET 130 Cb 0.10 0.31 0.02 0.00 -1.53 0.00 0.00 34.83 33.72 3i89 s MET 130 CO 0.68 -0.46 -0.11 0.42 -2.03 0.00 0.00 175.02 173.52 3i89 s ILE 131 N -2.59 1.12 -0.00 3.16 1.01 -0.17 -2.81 121.20 120.92 3i89 s ILE 131 Ca 0.18 -0.43 0.02 0.00 0.00 0.00 0.00 60.65 60.41 3i89 s ILE 131 Cb -0.00 -1.06 -0.04 0.00 0.01 0.00 0.00 42.46 41.37 3i89 s ILE 131 CO 0.02 0.36 -0.01 -0.83 0.00 0.00 0.00 174.94 174.48 3i89 s GLY 132 N 1.02 1.86 -0.01 6.18 0.00 0.94 -0.54 107.32 116.76 3i89 s GLY 132 Ca -0.08 -0.96 -0.07 0.00 0.00 0.00 0.00 44.72 43.62 3i89 s GLY 132 CO -0.01 -0.82 0.14 1.08 0.00 0.00 0.00 173.10 173.49 3i89 s LEU 133 N -1.52 1.51 -0.16 0.66 1.02 -0.99 0.47 118.68 119.66 3i89 s LEU 133 Ca 0.19 -0.07 0.00 0.00 0.02 0.00 0.00 54.13 54.27 3i89 s LEU 133 Cb -0.11 0.65 0.03 0.00 0.02 0.00 0.00 46.19 46.78 3i89 s LEU 133 CO 0.10 -0.29 -0.09 -0.60 0.02 0.00 0.00 176.35 175.49 3i89 s ARG 134 N -1.01 1.80 0.00 1.70 3.00 0.00 -2.77 118.95 121.67 3i89 s ARG 134 Ca -0.11 -0.55 0.00 0.00 -1.00 0.00 0.00 55.73 54.07 3i89 s ARG 134 Cb -0.06 -2.04 0.00 0.00 0.00 0.00 0.00 34.95 32.85 3i89 s ARG 134 CO 0.01 -0.35 0.00 1.28 0.00 0.00 0.00 175.30 176.24 3i89 n LEU 135 N 4.82 0.81 -4.24 -0.88 7.99 -1.26 -1.52 117.00 122.72 3i89 n LEU 135 Ca -0.14 0.00 -0.15 0.00 -0.01 0.00 0.00 56.01 55.71 3i89 n LEU 135 Cb 0.48 0.00 -0.10 0.00 -0.11 0.00 0.00 43.42 43.69 3i89 n LEU 135 CO 0.19 0.14 -0.42 -0.31 -1.51 0.00 0.00 177.39 175.47 3i89 s TYR 136 N -1.85 1.25 0.07 -1.77 1.51 -1.26 -2.30 117.35 113.01 3i89 s TYR 136 Ca 0.00 -0.72 -0.31 0.00 -1.01 0.00 0.00 57.07 55.04 3i89 s TYR 136 Cb 0.00 -0.64 -0.07 0.00 -0.11 0.00 0.00 41.96 41.14 3i89 s TYR 136 CO 0.00 0.08 1.36 -0.51 -1.11 0.00 0.00 175.55 175.37 3i89 s ASP 137 N -2.97 6.88 0.00 2.29 1.01 -1.21 -3.14 116.67 119.53 3i89 s ASP 137 Ca 0.14 2.20 0.00 0.00 0.71 0.00 0.00 52.55 55.60 3i89 s ASP 137 Cb 0.01 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.36 3i89 s ASP 137 CO 0.01 -0.64 0.00 0.61 0.21 0.00 0.00 175.17 175.36 3i89 n GLY 138 N 3.50 3.20 3.63 0.21 0.00 -1.26 -4.88 105.19 109.59 3i89 n GLY 138 Ca 0.12 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.90 3i89 n GLY 138 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i89 s LEU 139 N 0.00 3.12 -0.29 0.99 1.43 -1.19 0.15 118.68 122.89 3i89 s LEU 139 Ca 0.00 -0.71 -0.02 0.00 -1.03 0.00 0.00 54.13 52.37 3i89 s LEU 139 Cb 0.00 -1.63 0.12 0.00 0.03 0.00 0.00 46.19 44.71 3i89 s LEU 139 CO 0.00 -0.03 0.22 0.12 0.23 0.00 0.00 176.35 176.90 3i89 s PHE 140 N -2.36 -0.09 0.49 0.29 5.36 -1.05 -4.52 117.98 116.09 3i89 s PHE 140 Ca 0.32 -0.53 -0.24 0.00 -0.96 0.00 0.00 56.93 55.53 3i89 s PHE 140 Cb -0.06 -0.66 -0.07 0.00 -0.34 0.00 0.00 43.02 41.89 3i89 s PHE 140 CO 0.20 -0.88 1.37 0.21 -1.46 0.00 0.00 175.22 174.65 3i89 s LYS 141 N 2.20 3.49 -0.06 10.12 2.47 -1.11 -1.58 119.74 135.27 3i89 s LYS 141 Ca 0.10 2.27 -0.00 0.00 -1.56 0.00 0.00 55.97 56.77 3i89 s LYS 141 Cb -0.15 -2.48 0.03 0.00 -1.46 0.00 0.00 37.83 33.76 3i89 s LYS 141 CO -0.33 -0.92 -0.02 0.08 0.16 0.00 0.00 175.35 174.32 3i89 s VAL 142 N -1.28 0.45 -0.48 4.02 1.01 0.13 -2.35 120.40 121.89 3i89 s VAL 142 Ca 0.65 0.00 -0.13 0.00 0.00 0.00 0.00 61.98 62.51 3i89 s VAL 142 Cb -0.41 -0.54 0.10 0.00 0.00 0.00 0.00 36.38 35.54 3i89 s VAL 142 CO 0.50 0.24 0.39 -0.63 0.00 0.00 0.00 175.10 175.60 3i89 s ILE 143 N 1.44 4.77 0.39 2.22 1.01 0.30 -2.31 121.20 129.00 3i89 s ILE 143 Ca -0.03 -1.45 -0.26 0.00 0.00 0.00 0.00 60.65 58.91 3i89 s ILE 143 Cb -0.13 -4.00 -0.09 0.00 0.01 0.00 0.00 42.46 38.25 3i89 s ILE 143 CO -0.03 -0.70 1.23 -2.84 0.00 0.00 0.00 174.94 172.60 3i89 s PRO 144 N 1.52 4.09 -0.19 2.79 0.02 -1.26 -1.00 135.00 140.96 3i89 s PRO 144 Ca 0.04 2.00 -0.06 0.00 0.02 0.00 0.00 61.00 63.00 3i89 s PRO 144 Cb -0.26 -2.79 -0.03 0.00 0.02 0.00 0.00 34.50 31.44 3i89 s PRO 144 CO 0.03 -0.34 0.03 -0.51 -0.33 0.00 0.00 177.00 175.88 3i89 s LEU 145 N -2.32 3.50 0.21 -5.54 1.43 0.43 -4.90 118.68 111.49 3i89 s LEU 145 Ca 0.55 -0.08 -0.09 0.00 -1.03 0.00 0.00 54.13 53.47 3i89 s LEU 145 Cb -0.35 -1.89 -0.01 0.00 0.03 0.00 0.00 46.19 43.97 3i89 s LEU 145 CO 0.44 0.11 0.35 -1.81 0.23 0.00 0.00 176.35 175.68 3i89 s ASP 146 N 0.75 -0.01 0.35 2.29 1.11 -1.26 -4.80 116.67 115.10 3i89 s ASP 146 Ca 0.02 -1.00 0.05 0.00 0.18 0.00 0.00 52.55 51.79 3i89 s ASP 146 Cb -0.14 0.50 0.69 0.00 1.07 0.00 0.00 42.92 45.05 3i89 s ASP 146 CO 0.02 -1.01 1.96 -0.09 1.18 0.00 0.00 175.17 177.23 3i89 h ARG 147 N 2.41 0.79 0.00 8.23 1.12 -2.02 -3.36 114.38 121.54 3i89 h ARG 147 Ca -0.30 -0.05 0.00 0.00 -1.11 0.00 0.00 59.98 58.53 3i89 h ARG 147 Cb 1.24 -0.18 0.00 0.00 -0.01 0.00 0.00 29.97 31.03 3i89 h ARG 147 CO 0.43 0.52 0.00 -0.40 -3.11 0.00 0.00 179.97 177.41 3i89 n ASP 148 N -4.47 0.00 -2.78 -3.80 5.75 -1.26 -4.76 116.55 105.22 3i89 n ASP 148 Ca 0.11 0.00 -0.11 0.00 -0.01 0.00 0.00 54.79 54.77 3i89 n ASP 148 Cb 0.20 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.27 3i89 n ASP 148 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 3i89 n ASN 149 N 0.00 -1.07 0.00 -1.12 2.85 -1.26 -4.74 115.26 109.92 3i89 n ASN 149 Ca 0.00 -0.03 0.00 0.00 -0.11 0.00 0.00 54.58 54.44 3i89 n ASN 149 Cb 0.00 -1.01 0.00 0.00 1.24 0.00 0.00 39.78 40.01 3i89 n ASN 149 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 3i89 n LYS 150 N -2.56 0.00 -0.34 1.20 5.02 -1.26 0.79 118.16 121.02 3i89 n LYS 150 Ca 0.03 0.10 0.07 0.00 -2.02 0.00 0.00 58.31 56.49 3i89 n LYS 150 Cb 0.41 -1.50 0.12 0.00 -0.02 0.00 0.00 35.03 34.05 3i89 n LYS 150 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3i89 n GLU 151 N -1.10 1.06 -4.00 1.97 1.02 -1.26 -2.03 120.64 116.29 3i89 n GLU 151 Ca 0.00 -2.44 -0.36 0.00 -0.02 0.00 0.00 57.16 54.34 3i89 n GLU 151 Cb 0.00 -1.27 0.01 0.00 -0.02 0.00 0.00 31.44 30.16 3i89 n GLU 151 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3i89 n LEU 152 N -1.02 -0.12 -4.73 -4.62 4.77 0.24 -4.39 117.00 107.12 3i89 n LEU 152 Ca 0.13 -1.01 -0.41 0.00 -0.03 0.00 0.00 56.01 54.69 3i89 n LEU 152 Cb 0.69 -1.21 -0.04 0.00 -2.33 0.00 0.00 43.42 40.53 3i89 n LEU 152 CO -0.01 0.62 0.81 -0.54 -1.33 0.00 0.00 177.39 176.95 3i89 s LYS 153 N -6.90 4.57 0.11 3.23 -0.14 -1.26 -4.83 119.74 114.52 3i89 s LYS 153 Ca 0.36 1.73 0.02 0.00 -1.36 0.00 0.00 55.97 56.71 3i89 s LYS 153 Cb -0.20 -3.29 -0.04 0.00 -1.68 0.00 0.00 37.83 32.62 3i89 s LYS 153 CO 0.75 0.02 -0.05 0.00 -0.76 0.00 0.00 175.35 175.31 3i89 s ALA 154 N -0.05 1.01 0.08 5.17 0.00 -1.26 -4.20 121.76 122.52 3i89 s ALA 154 Ca 0.51 -1.39 0.07 0.00 0.00 0.00 0.00 51.96 51.15 3i89 s ALA 154 Cb -0.29 0.25 -0.03 0.00 0.00 0.00 0.00 23.12 23.04 3i89 s ALA 154 CO 0.34 -0.26 -0.19 -0.59 0.00 0.00 0.00 175.76 175.06 3i89 s PHE 155 N -3.66 1.60 0.15 0.00 -0.12 -0.98 -4.89 117.98 110.10 3i89 s PHE 155 Ca 0.14 -0.42 -0.19 0.00 -0.05 0.00 0.00 56.93 56.41 3i89 s PHE 155 Cb 0.06 -0.89 -0.07 0.00 -0.63 0.00 0.00 43.02 41.48 3i89 s PHE 155 CO -0.03 0.14 0.64 -0.80 -0.05 0.00 0.00 175.22 175.12 3i89 s ASN 156 N -1.74 7.02 0.34 1.98 0.01 -1.26 0.17 114.94 121.46 3i89 s ASN 156 Ca 0.04 1.30 0.07 0.00 -0.71 0.00 0.00 52.86 53.55 3i89 s ASN 156 Cb -0.10 -2.37 -0.01 0.00 0.41 0.00 0.00 41.25 39.18 3i89 s ASN 156 CO 0.03 0.13 0.48 -0.63 -1.51 0.00 0.00 177.10 175.60 3i89 s ILE 157 N -1.36 3.97 0.13 0.60 1.01 -0.61 -4.91 121.20 120.03 3i89 s ILE 157 Ca 0.37 -1.00 -0.11 0.00 0.00 0.00 0.00 60.65 59.91 3i89 s ILE 157 Cb -0.18 -3.37 -0.06 0.00 0.01 0.00 0.00 42.46 38.86 3i89 s ILE 157 CO 0.20 -0.14 0.48 -0.60 0.00 0.00 0.00 174.94 174.88 3i89 s ARG 158 N -4.19 3.83 -0.27 2.79 3.52 -1.26 -2.53 118.95 120.84 3i89 s ARG 158 Ca 0.46 0.28 0.02 0.00 -0.13 0.00 0.00 55.73 56.35 3i89 s ARG 158 Cb -0.10 -2.90 0.07 0.00 -1.56 0.00 0.00 34.95 30.47 3i89 s ARG 158 CO 0.31 0.48 -0.02 -1.17 -0.81 0.00 0.00 175.30 174.09 3i89 s LEU 159 N -2.15 3.10 0.28 -0.88 0.20 0.39 -4.91 118.68 114.71 3i89 s LEU 159 Ca 0.38 -1.46 -0.04 0.00 0.69 0.00 0.00 54.13 53.70 3i89 s LEU 159 Cb -0.14 -1.29 0.58 0.00 -0.43 0.00 0.00 46.19 44.92 3i89 s LEU 159 CO 0.20 -0.28 1.59 -0.33 -0.29 0.00 0.00 176.35 177.23 3i89 h GLU 160 N 7.87 0.03 -6.67 1.98 4.39 -1.98 -3.39 114.58 116.82 3i89 h GLU 160 Ca -0.15 -0.00 -0.56 0.00 0.34 0.00 0.00 59.36 58.99 3i89 h GLU 160 Cb 1.05 -0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 29.62 3i89 h GLU 160 CO 0.45 0.02 0.96 -1.21 -1.16 0.00 0.00 179.01 178.06 3i89 s GLU 161 N -6.11 3.67 0.00 2.33 8.01 -1.26 -4.89 118.70 120.45 3i89 s GLU 161 Ca -0.14 0.55 0.27 0.00 0.01 0.00 0.00 54.97 55.66 3i89 s GLU 161 Cb 0.26 -3.94 1.52 0.00 -4.31 0.00 0.00 34.13 27.67 3i89 s GLU 161 CO 0.77 -1.46 1.96 1.28 0.01 0.00 0.00 175.26 177.82 3i89 n LEU 162 N 8.08 0.00 -3.18 1.80 4.77 -1.26 -4.30 117.00 122.90 3i89 n LEU 162 Ca 0.12 0.13 -0.16 0.00 -0.03 0.00 0.00 56.01 56.07 3i89 n LEU 162 Cb 0.49 -0.13 -0.06 0.00 -2.33 0.00 0.00 43.42 41.40 3i89 n LEU 162 CO 0.72 -0.02 -0.12 -2.28 -1.33 0.00 0.00 177.39 174.36 3i89 s HIS 163 N -2.25 -0.27 -0.04 -1.77 2.46 -1.26 -4.51 115.29 107.65 3i89 s HIS 163 Ca 0.35 -1.24 -0.10 0.00 0.47 0.00 0.00 55.06 54.54 3i89 s HIS 163 Cb 0.19 -0.34 -0.05 0.00 -0.13 0.00 0.00 32.58 32.25 3i89 s HIS 163 CO 0.36 -1.02 0.27 0.08 -2.47 0.00 0.00 174.74 171.96 3i89 s VAL 164 N 0.79 5.28 -0.16 0.89 1.01 -1.26 -1.43 120.40 125.51 3i89 s VAL 164 Ca 0.26 0.42 -0.13 0.00 0.00 0.00 0.00 61.98 62.54 3i89 s VAL 164 Cb -0.04 -3.56 -0.06 0.00 0.00 0.00 0.00 36.38 32.73 3i89 s VAL 164 CO -0.09 0.53 -0.21 -0.38 0.00 0.00 0.00 175.10 174.95 3i89 n ILE 165 N 1.68 1.46 -3.92 2.22 2.08 0.17 -4.70 119.36 118.34 3i89 n ILE 165 Ca -0.15 0.15 -0.09 0.00 0.56 0.00 0.00 62.75 63.21 3i89 n ILE 165 Cb 0.53 -2.33 -0.06 0.00 -0.75 0.00 0.00 39.64 37.04 3i89 n ILE 165 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 3i89 s ASP 166 N -5.97 -0.09 -0.27 4.38 2.15 -1.21 -4.84 116.67 110.82 3i89 s ASP 166 Ca -0.21 -0.80 -0.25 0.00 0.43 0.00 0.00 52.55 51.72 3i89 s ASP 166 Cb 0.04 0.53 0.08 0.00 -0.30 0.00 0.00 42.92 43.27 3i89 s ASP 166 CO 0.33 -1.03 0.79 -0.69 -0.17 0.00 0.00 175.17 174.40 3i89 s VAL 167 N -3.96 0.00 0.09 1.11 1.01 -1.26 -1.78 120.40 115.61 3i89 s VAL 167 Ca 0.17 0.00 -0.06 0.00 0.00 0.00 0.00 61.98 62.09 3i89 s VAL 167 Cb 0.01 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.37 3i89 s VAL 167 CO 0.03 0.00 0.13 -0.54 0.00 0.00 0.00 175.10 174.71 3i89 s LYS 168 N 0.33 0.82 0.27 2.72 -0.14 -0.59 -4.95 119.74 118.20 3i89 s LYS 168 Ca 0.01 -1.10 -0.28 0.00 -1.36 0.00 0.00 55.97 53.24 3i89 s LYS 168 Cb -0.05 0.30 -0.09 0.00 -1.68 0.00 0.00 37.83 36.31 3i89 s LYS 168 CO -0.00 -0.24 0.93 -0.06 -0.76 0.00 0.00 175.35 175.22 3i89 s PHE 169 N -3.90 3.86 0.64 3.18 0.40 -1.26 -0.63 117.98 120.27 3i89 s PHE 169 Ca 0.08 1.85 -0.09 0.00 -0.60 0.00 0.00 56.93 58.17 3i89 s PHE 169 Cb 0.06 -2.94 -0.00 0.00 0.51 0.00 0.00 43.02 40.64 3i89 s PHE 169 CO -0.08 0.36 1.01 -0.51 0.70 0.00 0.00 175.22 176.69 3i89 s LEU 170 N -1.54 3.10 0.28 -0.37 1.43 -0.59 -4.83 118.68 116.17 3i89 s LEU 170 Ca 0.44 1.05 0.07 0.00 -1.03 0.00 0.00 54.13 54.66 3i89 s LEU 170 Cb -0.23 -3.91 -0.03 0.00 0.03 0.00 0.00 46.19 42.05 3i89 s LEU 170 CO 0.28 -1.13 0.28 -0.31 0.23 0.00 0.00 176.35 175.71 3i89 s TYR 171 N -3.18 3.11 -0.60 0.29 1.51 -1.26 -4.51 117.35 112.71 3i89 s TYR 171 Ca 0.56 -0.16 0.00 0.00 -1.01 0.00 0.00 57.07 56.46 3i89 s TYR 171 Cb -0.11 -1.60 0.00 0.00 -0.11 0.00 0.00 41.96 40.14 3i89 s TYR 171 CO 0.50 0.36 0.00 0.41 -1.11 0.00 0.00 175.55 175.71 3i89 n GLY 172 N -1.32 0.81 3.79 0.71 0.00 -1.26 -4.58 105.19 103.34 3i89 n GLY 172 Ca -0.06 -0.58 -0.37 0.00 0.00 0.00 0.00 46.02 45.01 3i89 n GLY 172 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i89 n GLN 174 N 2.61 0.00 -2.67 0.00 1.13 -1.26 -4.56 117.38 112.64 3i89 n GLN 174 Ca -0.13 0.22 -0.42 0.00 -1.94 0.00 0.00 57.00 54.73 3i89 n GLN 174 Cb 0.52 -1.21 -0.03 0.00 0.11 0.00 0.00 30.24 29.63 3i89 n GLN 174 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3i89 s ALA 175 N -2.46 3.25 -0.11 -1.58 0.00 -1.26 -4.95 121.76 114.65 3i89 s ALA 175 Ca 0.00 0.54 -0.05 0.00 0.00 0.00 0.00 51.96 52.45 3i89 s ALA 175 Cb 0.00 -3.38 -0.03 0.00 0.00 0.00 0.00 23.12 19.71 3i89 s ALA 175 CO 0.00 -0.35 0.34 -2.30 0.00 0.00 0.00 175.76 173.45 3i89 n PRO 176 N 4.18 0.00 -4.43 0.00 -0.02 -1.26 -4.73 135.00 128.74 3i89 n PRO 176 Ca 0.07 0.00 -0.33 0.00 -2.02 0.00 0.00 63.50 61.22 3i89 n PRO 176 Cb 0.50 -0.20 -0.16 0.00 -0.02 0.00 0.00 33.50 33.62 3i89 n PRO 176 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3i89 s THR 177 N 1.07 2.32 0.59 3.45 2.01 -1.26 0.84 115.64 124.65 3i89 s THR 177 Ca 0.18 -0.88 -0.04 0.00 0.31 0.00 0.00 61.69 61.26 3i89 s THR 177 Cb -0.18 -1.96 0.02 0.00 0.01 0.00 0.00 72.50 70.39 3i89 s THR 177 CO 0.07 0.53 0.87 0.27 -0.69 0.00 0.00 174.62 175.68 3i89 s ILE 178 N 0.99 3.27 -0.15 1.82 -4.36 0.10 -1.55 121.20 121.33 3i89 s ILE 178 Ca -0.02 -0.22 -0.10 0.00 -0.26 0.00 0.00 60.65 60.05 3i89 s ILE 178 Cb -0.15 -3.30 0.05 0.00 1.25 0.00 0.00 42.46 40.32 3i89 s ILE 178 CO -0.05 -0.28 0.36 0.00 0.24 0.00 0.00 174.94 175.22 3i89 s PHE 180 N 0.92 -0.14 -0.10 0.00 -0.12 -0.72 -1.54 117.98 116.28 3i89 s PHE 180 Ca -0.06 -0.06 0.01 0.00 -0.05 0.00 0.00 56.93 56.77 3i89 s PHE 180 Cb -0.07 0.15 -0.02 0.00 -0.63 0.00 0.00 43.02 42.45 3i89 s PHE 180 CO -0.07 -0.58 -0.12 0.08 -0.05 0.00 0.00 175.22 174.49 3i89 s VAL 181 N -3.02 3.22 0.03 -2.49 1.01 -0.73 -1.10 120.40 117.32 3i89 s VAL 181 Ca -0.02 -0.63 -0.01 0.00 0.00 0.00 0.00 61.98 61.32 3i89 s VAL 181 Cb 0.01 -2.33 -0.03 0.00 0.00 0.00 0.00 36.38 34.03 3i89 s VAL 181 CO -0.06 0.55 -0.01 -0.72 0.00 0.00 0.00 175.10 174.86 3i89 s TYR 182 N -0.11 0.34 -0.16 5.22 -0.85 -0.31 0.42 117.35 121.91 3i89 s TYR 182 Ca -0.01 -0.70 -0.04 0.00 -0.52 0.00 0.00 57.07 55.80 3i89 s TYR 182 Cb -0.14 -0.25 -0.03 0.00 0.38 0.00 0.00 41.96 41.93 3i89 s TYR 182 CO 0.03 -0.28 -0.02 -1.14 -1.52 0.00 0.00 175.55 172.62 3i89 s GLN 183 N -2.44 3.68 0.14 -3.49 0.74 -0.52 -0.87 119.66 116.91 3i89 s GLN 183 Ca -0.07 -0.49 0.02 0.00 0.05 0.00 0.00 55.36 54.88 3i89 s GLN 183 Cb -0.03 -2.95 -0.04 0.00 1.10 0.00 0.00 33.01 31.09 3i89 s GLN 183 CO -0.04 0.27 -0.04 0.16 -0.55 0.00 0.00 175.29 175.09 3i89 s ASP 184 N 0.29 1.30 0.00 6.67 1.47 -0.97 -4.50 116.67 120.93 3i89 s ASP 184 Ca -0.02 -1.09 0.00 0.00 1.18 0.00 0.00 52.55 52.62 3i89 s ASP 184 Cb -0.14 0.08 0.00 0.00 -0.34 0.00 0.00 42.92 42.53 3i89 s ASP 184 CO 0.02 -0.49 0.00 -2.65 0.68 0.00 0.00 175.17 172.74 3i89 n PRO 185 N -0.17 0.00 0.00 2.11 -0.02 -1.26 -2.73 135.00 132.93 3i89 n PRO 185 Ca -0.09 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.39 3i89 n PRO 185 Cb 0.62 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.10 3i89 n PRO 185 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3i89 n GLN 186 N 0.00 0.00 0.00 -0.52 3.00 -1.26 -4.89 117.38 113.71 3i89 n GLN 186 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3i89 n GLN 186 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 3i89 n GLN 186 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3i89 n GLY 187 N 0.00 5.16 3.52 1.08 0.00 -1.11 -5.11 105.19 108.74 3i89 n GLY 187 Ca 0.00 -0.89 -0.30 0.00 0.00 0.00 0.00 46.02 44.83 3i89 n GLY 187 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i89 s ARG 188 N 4.67 1.97 0.08 1.61 0.52 -1.26 -2.29 118.95 124.25 3i89 s ARG 188 Ca 0.00 -1.09 0.02 0.00 -0.52 0.00 0.00 55.73 54.14 3i89 s ARG 188 Cb 0.00 -2.20 -0.04 0.00 0.52 0.00 0.00 34.95 33.23 3i89 s ARG 188 CO 0.00 0.50 -0.07 -1.01 0.02 0.00 0.00 175.30 174.74 3i89 s HIS 189 N -1.14 0.82 -0.20 -0.53 3.76 -0.05 -1.68 115.29 116.27 3i89 s HIS 189 Ca 0.19 -0.81 -0.02 0.00 -0.15 0.00 0.00 55.06 54.27 3i89 s HIS 189 Cb -0.11 -0.48 0.00 0.00 1.11 0.00 0.00 32.58 33.10 3i89 s HIS 189 CO 0.11 -0.14 -0.11 0.54 -0.85 0.00 0.00 174.74 174.28 3i89 s VAL 190 N -3.05 2.83 0.25 -0.90 0.11 -0.84 -1.16 120.40 117.64 3i89 s VAL 190 Ca 0.06 -0.68 0.09 0.00 -2.93 0.00 0.00 61.98 58.52 3i89 s VAL 190 Cb 0.01 -2.25 -0.05 0.00 -1.53 0.00 0.00 36.38 32.57 3i89 s VAL 190 CO -0.04 0.48 -0.14 -0.75 -3.33 0.00 0.00 175.10 171.32 3i89 s LYS 191 N 1.32 1.52 0.01 1.54 2.20 -0.26 -2.47 119.74 123.61 3i89 s LYS 191 Ca 0.04 -1.71 0.02 0.00 -0.36 0.00 0.00 55.97 53.96 3i89 s LYS 191 Cb -0.14 -1.36 -0.01 0.00 -1.51 0.00 0.00 37.83 34.80 3i89 s LYS 191 CO -0.06 0.19 -0.08 0.95 -0.36 0.00 0.00 175.35 176.00 3i89 s THR 192 N -2.82 0.57 0.16 3.43 -4.23 -1.26 -1.76 115.64 109.74 3i89 s THR 192 Ca 0.27 -0.59 0.06 0.00 -1.18 0.00 0.00 61.69 60.25 3i89 s THR 192 Cb -0.01 -0.53 -0.04 0.00 1.34 0.00 0.00 72.50 73.25 3i89 s THR 192 CO 0.11 -0.03 -0.12 -0.31 -0.54 0.00 0.00 174.62 173.73 3i89 s TYR 193 N -0.59 1.41 0.65 3.99 4.12 -1.12 -3.08 117.35 122.73 3i89 s TYR 193 Ca -0.01 -0.68 -0.05 0.00 0.02 0.00 0.00 57.07 56.35 3i89 s TYR 193 Cb -0.05 -0.70 0.05 0.00 -1.52 0.00 0.00 41.96 39.74 3i89 s TYR 193 CO 0.00 0.17 0.94 -1.21 0.02 0.00 0.00 175.55 175.47 3i89 s GLU 194 N -3.61 2.39 -0.24 -0.62 2.02 -1.25 -0.72 118.70 116.67 3i89 s GLU 194 Ca 0.18 -0.34 -0.03 0.00 0.02 0.00 0.00 54.97 54.80 3i89 s GLU 194 Cb 0.01 -2.26 0.08 0.00 0.10 0.00 0.00 34.13 32.06 3i89 s GLU 194 CO 0.03 -1.03 0.08 0.08 0.02 0.00 0.00 175.26 174.44 3i89 s VAL 195 N -3.09 0.31 -0.12 2.63 1.01 0.25 -3.71 120.40 117.68 3i89 s VAL 195 Ca 0.58 -0.69 -0.17 0.00 0.00 0.00 0.00 61.98 61.70 3i89 s VAL 195 Cb -0.11 -1.05 -0.04 0.00 0.00 0.00 0.00 36.38 35.19 3i89 s VAL 195 CO 0.43 -0.45 0.44 -0.55 0.00 0.00 0.00 175.10 174.98 3i89 s SER 196 N 1.93 6.65 -0.11 3.32 0.15 -1.25 -4.55 113.70 119.83 3i89 s SER 196 Ca 0.04 0.77 0.19 0.00 0.70 0.00 0.00 55.95 57.65 3i89 s SER 196 Cb -0.17 -2.27 -0.28 0.00 -1.71 0.00 0.00 66.02 61.60 3i89 s SER 196 CO -0.19 0.04 0.25 0.00 1.20 0.00 0.00 173.24 174.54 3i89 n LEU 197 N 3.55 0.00 -0.27 3.45 -0.00 -1.26 -2.82 117.00 119.64 3i89 n LEU 197 Ca -0.08 0.00 -0.04 0.00 -0.00 0.00 0.00 56.01 55.89 3i89 n LEU 197 Cb 0.52 0.25 0.02 0.00 -0.00 0.00 0.00 43.42 44.21 3i89 n LEU 197 CO 0.42 0.25 0.61 -0.09 -0.00 0.00 0.00 177.39 178.59 3i89 h ARG 198 N 0.00 -0.10 -0.01 1.47 2.43 -2.02 -2.87 114.38 113.27 3i89 h ARG 198 Ca -0.27 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.90 3i89 h ARG 198 Cb 1.60 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 31.17 3i89 h ARG 198 CO 0.01 -0.07 -0.30 -0.85 -1.51 0.00 0.00 179.97 177.25 3i89 n GLU 199 N -5.45 1.64 -3.34 0.20 0.00 -1.26 -5.05 120.64 107.39 3i89 n GLU 199 Ca 0.06 -0.87 -0.30 0.00 0.00 0.00 0.00 57.16 56.05 3i89 n GLU 199 Cb 0.37 -1.28 0.03 0.00 0.00 0.00 0.00 31.44 30.56 3i89 n GLU 199 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 3i89 n LYS 200 N -0.02 -1.94 0.00 3.44 5.02 -1.09 -4.98 118.16 118.59 3i89 n LYS 200 Ca 0.07 1.55 0.00 0.00 -2.02 0.00 0.00 58.31 57.91 3i89 n LYS 200 Cb 0.35 -2.78 0.00 0.00 -0.02 0.00 0.00 35.03 32.58 3i89 n LYS 200 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 3i89 n GLU 201 N -0.08 0.00 0.00 1.97 0.28 -1.19 -4.94 120.64 116.68 3i89 n GLU 201 Ca -0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.96 3i89 n GLU 201 Cb 0.61 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.48 3i89 n GLU 201 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 3i89 n PHE 202 N 0.00 0.00 -0.99 -1.84 3.72 -1.26 -4.82 117.46 112.26 3i89 n PHE 202 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 3i89 n PHE 202 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 3i89 n PHE 202 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3i89 n ASN 203 N 0.00 0.00 -4.52 4.37 3.02 -1.24 -3.93 115.26 112.96 3i89 n ASN 203 Ca 0.00 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.22 3i89 n ASN 203 Cb 0.00 0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.05 3i89 n ASN 203 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3i89 s LYS 204 N -1.96 2.75 0.02 3.52 2.36 -1.26 -4.30 119.74 120.87 3i89 s LYS 204 Ca 0.00 -0.62 -0.18 0.00 -2.55 0.00 0.00 55.97 52.62 3i89 s LYS 204 Cb 0.00 -2.52 -0.06 0.00 -1.05 0.00 0.00 37.83 34.20 3i89 s LYS 204 CO 0.00 0.59 0.53 0.20 1.55 0.00 0.00 175.35 178.21 3i89 s GLY 205 N -0.61 2.59 0.31 5.54 0.00 -1.18 -3.92 107.32 110.05 3i89 s GLY 205 Ca 0.09 -0.05 0.26 0.00 0.00 0.00 0.00 44.72 45.02 3i89 s GLY 205 CO 0.01 0.48 0.99 -1.05 0.00 0.00 0.00 173.10 173.53 3i89 n PRO 206 N 2.14 -0.01 -3.91 2.90 -0.02 -1.26 -4.59 135.00 130.26 3i89 n PRO 206 Ca -0.10 0.74 -0.10 0.00 -2.02 0.00 0.00 63.50 62.02 3i89 n PRO 206 Cb 0.51 -1.57 -0.09 0.00 -0.02 0.00 0.00 33.50 32.32 3i89 n PRO 206 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 3i89 s TRP 207 N -4.43 0.14 0.31 6.00 -2.14 -1.26 -4.91 118.94 112.66 3i89 s TRP 207 Ca -0.04 -0.38 -0.28 0.00 2.66 0.00 0.00 56.10 58.06 3i89 s TRP 207 Cb 0.18 -0.11 -0.13 0.00 -3.10 0.00 0.00 33.47 30.31 3i89 s TRP 207 CO 0.54 -0.34 1.13 1.63 -2.66 0.00 0.00 176.95 177.25 3i89 n LYS 208 N 1.00 1.69 -1.61 3.25 4.01 -1.26 -4.47 118.16 120.76 3i89 n LYS 208 Ca -0.20 0.59 -0.47 0.00 -0.51 0.00 0.00 58.31 57.72 3i89 n LYS 208 Cb 0.57 -2.05 -0.05 0.00 -0.51 0.00 0.00 35.03 33.00 3i89 n LYS 208 CO 0.00 0.00 0.00 0.94 -1.11 0.00 0.00 177.40 177.23 3i89 n GLN 209 N 0.66 2.00 -3.11 1.97 7.27 -1.26 -4.93 117.38 119.98 3i89 n GLN 209 Ca 0.08 0.67 -0.21 0.00 0.07 0.00 0.00 57.00 57.61 3i89 n GLN 209 Cb 0.34 -2.81 0.06 0.00 2.41 0.00 0.00 30.24 30.23 3i89 n GLN 209 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 3i89 n GLU 210 N 7.62 0.60 -3.42 3.69 -0.58 -1.03 -4.94 120.64 122.58 3i89 n GLU 210 Ca 0.28 -3.22 -0.24 0.00 -0.42 0.00 0.00 57.16 53.56 3i89 n GLU 210 Cb 0.34 -0.17 -0.01 0.00 -0.57 0.00 0.00 31.44 31.02 3i89 n GLU 210 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 3i89 s ASN 211 N -4.62 6.30 0.24 1.62 0.01 -1.26 -1.99 114.94 115.24 3i89 s ASN 211 Ca 0.58 0.43 -0.03 0.00 -0.71 0.00 0.00 52.86 53.13 3i89 s ASN 211 Cb -0.05 -2.02 -0.03 0.00 0.41 0.00 0.00 41.25 39.57 3i89 s ASN 211 CO 0.37 -0.27 0.27 0.68 -1.51 0.00 0.00 177.10 176.63 3i89 s VAL 212 N -2.28 0.00 0.50 1.60 -7.23 -0.68 -4.71 120.40 107.59 3i89 s VAL 212 Ca 0.40 -1.82 -0.19 0.00 -1.81 0.00 0.00 61.98 58.56 3i89 s VAL 212 Cb -0.10 -2.45 -0.08 0.00 0.56 0.00 0.00 36.38 34.32 3i89 s VAL 212 CO 0.35 0.00 1.00 -1.83 -0.31 0.00 0.00 175.10 174.31 3i89 s GLU 213 N -3.93 3.89 0.23 4.82 -1.05 -1.26 -4.04 118.70 117.35 3i89 s GLU 213 Ca 0.34 1.14 0.12 0.00 -0.15 0.00 0.00 54.97 56.43 3i89 s GLU 213 Cb 0.04 -2.12 0.81 0.00 -0.44 0.00 0.00 34.13 32.42 3i89 s GLU 213 CO 0.14 -0.33 0.98 0.00 0.95 0.00 0.00 175.26 177.00 3i89 n ALA 214 N -1.24 0.61 -1.20 -0.84 0.00 -1.26 -0.02 120.51 116.57 3i89 n ALA 214 Ca 0.08 0.63 0.09 0.00 0.00 0.00 0.00 53.44 54.24 3i89 n ALA 214 Cb 0.53 -0.62 0.16 0.00 0.00 0.00 0.00 19.45 19.52 3i89 n ALA 214 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3i89 n GLU 215 N -4.43 1.38 -1.64 0.00 -0.58 -1.26 -4.81 120.64 109.30 3i89 n GLU 215 Ca 0.23 -2.77 -0.47 0.00 -0.42 0.00 0.00 57.16 53.73 3i89 n GLU 215 Cb 0.77 -1.54 -0.04 0.00 -0.57 0.00 0.00 31.44 30.07 3i89 n GLU 215 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3i89 n ALA 216 N -1.35 0.60 0.00 0.62 0.00 0.98 -4.17 120.51 117.19 3i89 n ALA 216 Ca 0.17 0.45 0.00 0.00 0.00 0.00 0.00 53.44 54.06 3i89 n ALA 216 Cb 0.66 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.87 3i89 n ALA 216 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3i89 n SER 217 N 2.66 0.00 -4.38 0.00 3.41 0.39 -4.92 113.62 110.78 3i89 n SER 217 Ca 0.15 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.47 3i89 n SER 217 Cb 0.27 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.09 3i89 n SER 217 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 3i89 s MET 218 N -0.23 1.56 -0.10 4.33 -1.94 -1.16 -4.50 119.30 117.26 3i89 s MET 218 Ca 0.00 -1.26 -0.00 0.00 -1.71 0.00 0.00 55.69 52.72 3i89 s MET 218 Cb 0.00 -1.95 0.02 0.00 2.01 0.00 0.00 34.83 34.92 3i89 s MET 218 CO 0.00 0.47 -0.07 0.08 -0.01 0.00 0.00 175.02 175.49 3i89 s VAL 219 N -0.99 0.91 -0.06 -6.03 1.01 -1.26 -2.35 120.40 111.64 3i89 s VAL 219 Ca 0.14 -0.24 0.01 0.00 0.00 0.00 0.00 61.98 61.88 3i89 s VAL 219 Cb -0.10 -0.94 -0.03 0.00 0.00 0.00 0.00 36.38 35.31 3i89 s VAL 219 CO 0.05 0.34 -0.06 -0.63 0.00 0.00 0.00 175.10 174.81 3i89 s ILE 220 N 1.56 3.81 -0.27 2.22 1.01 0.12 -4.81 121.20 124.84 3i89 s ILE 220 Ca 0.01 -0.46 0.02 0.00 0.00 0.00 0.00 60.65 60.22 3i89 s ILE 220 Cb -0.13 -2.58 0.06 0.00 0.01 0.00 0.00 42.46 39.83 3i89 s ILE 220 CO -0.06 0.58 -0.08 0.00 0.00 0.00 0.00 174.94 175.39 3i89 s ALA 221 N -0.84 2.64 -0.04 9.38 0.00 -1.26 0.11 121.76 131.75 3i89 s ALA 221 Ca 0.13 -1.83 -0.30 0.00 0.00 0.00 0.00 51.96 49.96 3i89 s ALA 221 Cb -0.11 -1.68 -0.03 0.00 0.00 0.00 0.00 23.12 21.29 3i89 s ALA 221 CO 0.02 -1.26 1.10 0.08 0.00 0.00 0.00 175.76 175.71 3i89 s VAL 222 N 1.11 4.48 0.69 0.00 1.01 -0.99 -4.87 120.40 121.84 3i89 s VAL 222 Ca -0.07 1.78 -0.17 0.00 0.00 0.00 0.00 61.98 63.53 3i89 s VAL 222 Cb -0.20 -4.14 -0.02 0.00 0.00 0.00 0.00 36.38 32.02 3i89 s VAL 222 CO -0.05 0.06 0.89 -0.81 0.00 0.00 0.00 175.10 175.19 3i89 n PRO 223 N 4.64 0.57 0.00 2.72 -0.04 -1.26 -2.64 135.00 138.98 3i89 n PRO 223 Ca 0.09 0.24 0.00 0.00 -0.04 0.00 0.00 63.50 63.79 3i89 n PRO 223 Cb 0.48 -2.14 0.00 0.00 -0.04 0.00 0.00 33.50 31.80 3i89 n PRO 223 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3i89 n GLU 224 N -1.45 0.00 0.00 0.54 -0.58 -1.26 -1.18 120.64 116.70 3i89 n GLU 224 Ca 0.13 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.87 3i89 n GLU 224 Cb 0.49 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.36 3i89 n GLU 224 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 3i89 n PRO 225 N -0.36 0.00 0.00 3.49 -0.02 -1.26 -1.80 135.00 135.04 3i89 n PRO 225 Ca 0.00 0.10 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 3i89 n PRO 225 Cb 0.00 -1.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 3i89 n PRO 225 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3i89 n PHE 226 N -1.07 0.00 -1.26 6.00 3.01 -0.33 -4.69 117.46 119.13 3i89 n PHE 226 Ca 0.00 0.00 0.17 0.00 1.01 0.00 0.00 57.45 58.63 3i89 n PHE 226 Cb 0.01 0.07 -0.05 0.00 -0.01 0.00 0.00 39.48 39.51 3i89 n PHE 226 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3i89 n GLY 227 N 2.81 -1.99 0.70 1.37 0.00 -0.75 -5.03 105.19 102.31 3i89 n GLY 227 Ca 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.83 3i89 n GLY 227 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i89 n GLY 228 N -3.89 -1.73 2.89 -0.02 0.00 -1.26 -4.56 105.19 96.62 3i89 n GLY 228 Ca -0.00 -1.99 -0.14 0.00 0.00 0.00 0.00 46.02 43.89 3i89 n GLY 228 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i89 s ALA 229 N -1.90 -0.15 -0.18 4.61 0.00 0.16 -2.33 121.76 121.97 3i89 s ALA 229 Ca 0.00 0.45 -0.09 0.00 0.00 0.00 0.00 51.96 52.32 3i89 s ALA 229 Cb 0.00 -0.31 -0.05 0.00 0.00 0.00 0.00 23.12 22.77 3i89 s ALA 229 CO 0.00 -0.11 0.12 0.42 0.00 0.00 0.00 175.76 176.19 3i89 s ILE 230 N 0.83 5.32 -0.09 0.00 1.01 0.30 -1.29 121.20 127.27 3i89 s ILE 230 Ca -0.07 0.15 0.04 0.00 0.00 0.00 0.00 60.65 60.77 3i89 s ILE 230 Cb -0.09 -3.40 0.00 0.00 0.01 0.00 0.00 42.46 38.98 3i89 s ILE 230 CO -0.03 0.48 -0.22 -0.63 0.00 0.00 0.00 174.94 174.54 3i89 s ILE 231 N 0.10 1.88 -0.14 2.92 1.09 0.18 0.16 121.20 127.39 3i89 s ILE 231 Ca 0.09 -0.92 0.00 0.00 -1.10 0.00 0.00 60.65 58.72 3i89 s ILE 231 Cb -0.11 -1.64 0.03 0.00 -1.06 0.00 0.00 42.46 39.68 3i89 s ILE 231 CO -0.01 0.52 -0.12 -0.63 -0.10 0.00 0.00 174.94 174.61 3i89 s ILE 232 N 0.40 1.39 0.00 2.92 1.01 -0.99 -1.05 121.20 124.88 3i89 s ILE 232 Ca -0.18 -0.55 0.00 0.00 0.00 0.00 0.00 60.65 59.92 3i89 s ILE 232 Cb -0.18 -1.35 0.00 0.00 0.01 0.00 0.00 42.46 40.95 3i89 s ILE 232 CO 0.08 0.40 0.00 0.61 0.00 0.00 0.00 174.94 176.03 3i89 n GLY 233 N 4.82 3.62 3.91 6.18 0.00 -0.47 -0.46 105.19 122.80 3i89 n GLY 233 Ca -0.15 -1.83 -0.29 0.00 0.00 0.00 0.00 46.02 43.75 3i89 n GLY 233 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i89 s GLN 234 N 3.17 3.58 0.00 1.61 -1.52 -1.26 -4.40 119.66 120.84 3i89 s GLN 234 Ca 0.00 -0.18 0.00 0.00 -1.95 0.00 0.00 55.36 53.23 3i89 s GLN 234 Cb 0.00 -2.82 0.00 0.00 -0.22 0.00 0.00 33.01 29.97 3i89 s GLN 234 CO 0.00 0.40 0.00 -0.85 -0.25 0.00 0.00 175.29 174.59 3i89 n GLU 235 N -0.37 0.00 -3.99 2.91 -0.00 -1.26 -4.79 120.64 113.14 3i89 n GLU 235 Ca -0.03 0.00 -0.10 0.00 -0.00 0.00 0.00 57.16 57.03 3i89 n GLU 235 Cb 0.53 -2.12 -0.11 0.00 -0.00 0.00 0.00 31.44 29.74 3i89 n GLU 235 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 3i89 s SER 236 N -0.89 0.32 -0.06 -1.84 0.15 -1.26 -2.91 113.70 107.21 3i89 s SER 236 Ca 0.00 -0.45 -0.05 0.00 0.70 0.00 0.00 55.95 56.14 3i89 s SER 236 Cb 0.00 0.08 0.02 0.00 -1.71 0.00 0.00 66.02 64.41 3i89 s SER 236 CO 0.00 -0.25 0.17 -0.63 1.20 0.00 0.00 173.24 173.73 3i89 s ILE 237 N -1.29 -0.01 0.10 6.45 1.01 -0.92 -1.37 121.20 125.18 3i89 s ILE 237 Ca -0.13 0.03 -0.01 0.00 0.00 0.00 0.00 60.65 60.54 3i89 s ILE 237 Cb -0.09 -0.24 -0.04 0.00 0.01 0.00 0.00 42.46 42.10 3i89 s ILE 237 CO -0.01 0.01 0.02 0.42 0.00 0.00 0.00 174.94 175.39 3i89 s THR 238 N 0.31 0.15 0.02 2.92 -4.23 -0.21 -1.74 115.64 112.86 3i89 s THR 238 Ca -0.02 -1.87 0.06 0.00 -1.18 0.00 0.00 61.69 58.67 3i89 s THR 238 Cb -0.03 -1.84 -0.02 0.00 1.34 0.00 0.00 72.50 71.95 3i89 s THR 238 CO -0.01 -0.67 -0.16 -0.47 -0.54 0.00 0.00 174.62 172.76 3i89 s TYR 239 N -4.00 1.45 0.01 3.99 5.04 0.14 -0.65 117.35 123.34 3i89 s TYR 239 Ca 0.18 -0.33 -0.01 0.00 -2.44 0.00 0.00 57.07 54.47 3i89 s TYR 239 Cb 0.08 -0.88 -0.02 0.00 0.35 0.00 0.00 41.96 41.49 3i89 s TYR 239 CO -0.03 0.03 -0.01 -1.01 -1.34 0.00 0.00 175.55 173.19 3i89 s HIS 240 N -0.69 0.20 -0.30 4.97 3.76 -0.41 -2.20 115.29 120.62 3i89 s HIS 240 Ca 0.05 -0.41 -0.17 0.00 -0.15 0.00 0.00 55.06 54.38 3i89 s HIS 240 Cb -0.08 -0.15 0.19 0.00 1.11 0.00 0.00 32.58 33.66 3i89 s HIS 240 CO 0.01 -0.16 1.20 1.21 -0.85 0.00 0.00 174.74 176.14 3i89 s ASN 241 N -1.20 -0.19 0.00 1.40 3.84 -0.87 0.38 114.94 118.30 3i89 s ASN 241 Ca -0.13 0.30 0.00 0.00 0.21 0.00 0.00 52.86 53.24 3i89 s ASN 241 Cb -0.08 0.99 0.00 0.00 -0.55 0.00 0.00 41.25 41.61 3i89 s ASN 241 CO -0.01 -0.05 0.00 0.61 -2.79 0.00 0.00 177.10 174.86 3i89 n GLY 242 N 3.10 1.40 0.08 1.21 0.00 -1.26 0.59 105.19 110.31 3i89 n GLY 242 Ca -0.17 0.22 0.13 0.00 0.00 0.00 0.00 46.02 46.20 3i89 n GLY 242 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i89 n ASP 243 N 1.33 0.62 -4.69 1.61 9.92 -1.26 -4.86 116.55 119.21 3i89 n ASP 243 Ca 0.00 0.52 -0.41 0.00 -0.53 0.00 0.00 54.79 54.36 3i89 n ASP 243 Cb 0.00 -0.65 -0.04 0.00 -0.64 0.00 0.00 41.12 39.79 3i89 n ASP 243 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 3i89 s LYS 244 N -3.08 4.40 -0.28 -1.24 2.47 0.20 -5.02 119.74 117.19 3i89 s LYS 244 Ca 0.11 1.08 -0.03 0.00 -1.56 0.00 0.00 55.97 55.56 3i89 s LYS 244 Cb 0.14 -3.51 0.09 0.00 -1.46 0.00 0.00 37.83 33.09 3i89 s LYS 244 CO 0.59 -0.15 0.11 -0.47 0.16 0.00 0.00 175.35 175.59 3i89 s TYR 245 N 1.51 0.60 -0.12 4.03 5.04 -1.26 -2.04 117.35 125.11 3i89 s TYR 245 Ca 0.41 -0.98 -0.00 0.00 -2.44 0.00 0.00 57.07 54.06 3i89 s TYR 245 Cb -0.18 -1.04 -0.02 0.00 0.35 0.00 0.00 41.96 41.08 3i89 s TYR 245 CO 0.17 -0.79 -0.11 -0.51 -1.34 0.00 0.00 175.55 172.97 3i89 s LEU 246 N 2.00 2.86 0.02 6.97 1.43 -0.94 -4.96 118.68 126.06 3i89 s LEU 246 Ca 0.08 -0.25 -0.10 0.00 -1.03 0.00 0.00 54.13 52.83 3i89 s LEU 246 Cb -0.16 -1.65 0.01 0.00 0.03 0.00 0.00 46.19 44.42 3i89 s LEU 246 CO -0.30 0.20 0.19 0.00 0.23 0.00 0.00 176.35 176.67 3i89 s ALA 247 N 0.15 -0.41 0.03 4.21 0.00 -1.26 0.26 121.76 124.74 3i89 s ALA 247 Ca -0.05 -0.15 -0.05 0.00 0.00 0.00 0.00 51.96 51.71 3i89 s ALA 247 Cb -0.15 0.19 -0.01 0.00 0.00 0.00 0.00 23.12 23.16 3i89 s ALA 247 CO 0.04 -0.30 0.07 0.96 0.00 0.00 0.00 175.76 176.54 3i89 s ILE 248 N -2.00 0.13 -0.45 0.00 -4.36 -0.71 -5.03 121.20 108.78 3i89 s ILE 248 Ca -0.09 -1.08 0.09 0.00 -0.26 0.00 0.00 60.65 59.30 3i89 s ILE 248 Cb -0.04 -0.80 0.30 0.00 1.25 0.00 0.00 42.46 43.17 3i89 s ILE 248 CO -0.01 -0.59 0.70 0.00 0.24 0.00 0.00 174.94 175.27 3i89 n ALA 249 N 0.90 2.85 -2.35 2.27 0.00 -1.26 -2.15 120.51 120.77 3i89 n ALA 249 Ca -0.20 -3.79 -0.42 0.00 0.00 0.00 0.00 53.44 49.03 3i89 n ALA 249 Cb 0.58 -0.85 -0.03 0.00 0.00 0.00 0.00 19.45 19.15 3i89 n ALA 249 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3i89 s PRO 250 N -2.18 3.29 0.55 0.00 0.04 -1.15 -4.85 135.00 130.70 3i89 s PRO 250 Ca 0.40 0.56 0.45 0.00 0.04 0.00 0.00 61.00 62.45 3i89 s PRO 250 Cb 0.25 -4.13 1.67 0.00 0.04 0.00 0.00 34.50 32.33 3i89 s PRO 250 CO -0.09 -1.94 1.64 -1.35 0.04 0.00 0.00 177.00 175.30 3i89 h PRO 251 N 11.34 0.01 -0.90 0.56 0.11 -1.99 0.58 132.00 141.70 3i89 h PRO 251 Ca -0.27 -0.00 0.24 0.00 0.11 0.00 0.00 66.00 66.08 3i89 h PRO 251 Cb 1.10 -0.00 -0.16 0.00 0.11 0.00 0.00 31.00 32.05 3i89 h PRO 251 CO 1.16 0.00 0.08 0.97 -0.21 0.00 0.00 178.00 180.01 3i89 h ILE 252 N 0.01 0.17 0.00 4.15 2.10 -1.93 -0.12 117.51 121.89 3i89 h ILE 252 Ca 0.83 -0.03 -0.04 0.00 1.08 0.00 0.00 64.86 66.71 3i89 h ILE 252 Cb 3.30 0.09 -0.01 0.00 -1.09 0.00 0.00 36.82 39.11 3i89 h ILE 252 CO -0.04 0.01 -0.55 0.16 -1.08 0.00 0.00 178.15 176.66 3i89 h ILE 253 N 0.08 0.21 -1.00 2.19 3.07 -1.21 -3.34 117.51 117.50 3i89 h ILE 253 Ca 0.54 -1.32 0.23 0.00 1.55 0.00 0.00 64.86 65.85 3i89 h ILE 253 Cb 1.08 1.93 -0.10 0.00 -0.27 0.00 0.00 36.82 39.46 3i89 h ILE 253 CO -0.79 0.12 0.62 0.50 -1.05 0.00 0.00 178.15 177.55 3i89 h LYS 254 N 0.00 0.57 -1.06 0.16 3.64 -1.10 0.74 116.57 119.52 3i89 h LYS 254 Ca -0.02 -0.03 0.31 0.00 -1.27 0.00 0.00 60.65 59.63 3i89 h LYS 254 Cb 1.13 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 32.78 3i89 h LYS 254 CO 0.02 0.37 0.78 1.96 -2.27 0.00 0.00 179.45 180.31 3i89 h GLN 255 N 0.58 0.00 -3.58 1.90 4.20 -1.69 -3.42 115.11 113.11 3i89 h GLN 255 Ca 0.59 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 59.23 3i89 h GLN 255 Cb 1.17 0.00 -0.12 0.00 0.30 0.00 0.00 27.48 28.83 3i89 h GLN 255 CO -0.36 0.00 -0.16 0.45 -0.67 0.00 0.00 178.83 178.09 3i89 s SER 256 N -5.25 -0.11 0.12 1.46 0.15 0.25 -5.05 113.70 105.28 3i89 s SER 256 Ca -0.05 -0.59 -0.27 0.00 0.70 0.00 0.00 55.95 55.74 3i89 s SER 256 Cb 0.22 0.48 -0.07 0.00 -1.71 0.00 0.00 66.02 64.94 3i89 s SER 256 CO 0.77 -0.91 0.84 -0.89 1.20 0.00 0.00 173.24 174.25 3i89 s THR 257 N -3.89 4.48 0.63 6.45 2.01 -1.26 -4.75 115.64 119.31 3i89 s THR 257 Ca 0.10 1.83 -0.15 0.00 0.31 0.00 0.00 61.69 63.77 3i89 s THR 257 Cb 0.02 -4.20 -0.02 0.00 0.01 0.00 0.00 72.50 68.31 3i89 s THR 257 CO -0.05 0.41 1.08 -0.63 -0.69 0.00 0.00 174.62 174.75 3i89 s ILE 258 N -0.50 3.53 0.00 1.82 1.01 -1.26 -1.84 121.20 123.97 3i89 s ILE 258 Ca 0.40 0.71 0.00 0.00 0.00 0.00 0.00 60.65 61.76 3i89 s ILE 258 Cb -0.23 -3.24 0.00 0.00 0.01 0.00 0.00 42.46 39.00 3i89 s ILE 258 CO 0.27 -0.44 0.00 0.52 0.00 0.00 0.00 174.94 175.29 3i89 n VAL 259 N -2.25 0.00 -3.51 2.92 0.31 -0.69 -4.87 118.33 110.24 3i89 n VAL 259 Ca 0.09 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.29 3i89 n VAL 259 Cb 0.52 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.41 3i89 n VAL 259 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3i89 s HIS 261 N -1.98 0.63 -0.29 0.00 -0.00 -1.26 0.12 115.29 112.51 3i89 s HIS 261 Ca -0.04 -0.95 -0.17 0.00 -0.00 0.00 0.00 55.06 53.90 3i89 s HIS 261 Cb -0.00 -0.11 0.13 0.00 -0.00 0.00 0.00 32.58 32.59 3i89 s HIS 261 CO 0.01 -0.81 0.90 1.21 -0.00 0.00 0.00 174.74 176.05 3i89 s ASN 262 N -3.05 -0.62 0.21 7.38 2.47 -1.01 -4.74 114.94 115.57 3i89 s ASN 262 Ca 0.26 1.01 -0.30 0.00 0.42 0.00 0.00 52.86 54.25 3i89 s ASN 262 Cb 0.03 1.24 -0.08 0.00 -1.45 0.00 0.00 41.25 40.98 3i89 s ASN 262 CO 0.08 -0.16 1.16 -0.60 -3.72 0.00 0.00 177.10 173.85 3i89 s ARG 263 N 1.33 4.54 -0.18 0.43 3.52 -1.26 -0.01 118.95 127.33 3i89 s ARG 263 Ca -0.08 1.83 -0.14 0.00 -0.13 0.00 0.00 55.73 57.20 3i89 s ARG 263 Cb -0.04 -3.23 -0.07 0.00 -1.56 0.00 0.00 34.95 30.05 3i89 s ARG 263 CO -0.15 0.01 -0.23 0.28 -0.81 0.00 0.00 175.30 174.40 3i89 n VAL 264 N 2.15 1.47 -3.31 7.11 0.31 -0.79 -4.59 118.33 120.67 3i89 n VAL 264 Ca 0.03 0.10 -0.41 0.00 -0.01 0.00 0.00 64.34 64.04 3i89 n VAL 264 Cb 0.45 -2.28 -0.09 0.00 -0.91 0.00 0.00 33.84 31.01 3i89 n VAL 264 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 3i89 s ASP 265 N -6.11 6.24 0.26 4.52 1.01 -1.21 -4.94 116.67 116.45 3i89 s ASP 265 Ca -0.24 -0.21 0.10 0.00 0.71 0.00 0.00 52.55 52.90 3i89 s ASP 265 Cb 0.05 -2.23 0.82 0.00 1.01 0.00 0.00 42.92 42.56 3i89 s ASP 265 CO 0.37 -0.45 1.18 -2.65 0.21 0.00 0.00 175.17 173.83 3i89 n PRO 266 N 5.59 -0.05 0.03 8.23 -0.01 -1.26 0.37 135.00 147.90 3i89 n PRO 266 Ca -0.07 1.07 -0.04 0.00 -0.01 0.00 0.00 63.50 64.45 3i89 n PRO 266 Cb 0.49 -1.82 0.17 0.00 -0.01 0.00 0.00 33.50 32.32 3i89 n PRO 266 CO 0.00 0.00 0.00 -2.95 -0.01 0.00 0.00 175.50 172.54 3i89 h ASN 267 N 0.00 0.45 -0.04 2.55 -1.07 -1.95 -3.45 115.58 112.07 3i89 h ASN 267 Ca 0.56 -0.18 0.00 0.00 0.07 0.00 0.00 56.30 56.75 3i89 h ASN 267 Cb 1.36 -0.13 0.00 0.00 -2.07 0.00 0.00 38.32 37.49 3i89 h ASN 267 CO -0.63 0.78 0.00 0.61 0.07 0.00 0.00 177.43 178.26 3i89 n GLY 268 N -0.18 1.55 0.14 9.14 0.00 1.17 -4.51 105.19 112.51 3i89 n GLY 268 Ca -0.01 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.89 3i89 n GLY 268 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3i89 h SER 269 N 0.00 0.00 -4.21 1.61 4.64 -1.86 -3.45 113.55 110.27 3i89 h SER 269 Ca 0.00 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.76 3i89 h SER 269 Cb 0.15 0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 62.01 3i89 h SER 269 CO 0.00 0.58 -0.83 -0.13 -0.87 0.00 0.00 176.83 175.58 3i89 s ARG 270 N -3.50 1.16 -0.16 4.77 0.52 -1.26 -1.04 118.95 119.44 3i89 s ARG 270 Ca -0.00 -1.11 -0.18 0.00 -0.52 0.00 0.00 55.73 53.92 3i89 s ARG 270 Cb 0.12 -1.39 0.05 0.00 0.52 0.00 0.00 34.95 34.25 3i89 s ARG 270 CO 0.75 0.33 0.48 0.71 0.02 0.00 0.00 175.30 177.58 3i89 s TYR 271 N -1.09 -0.50 0.33 -0.53 1.51 -1.12 -1.88 117.35 114.06 3i89 s TYR 271 Ca 0.06 1.18 -0.08 0.00 -1.01 0.00 0.00 57.07 57.22 3i89 s TYR 271 Cb -0.10 0.19 -0.06 0.00 -0.11 0.00 0.00 41.96 41.88 3i89 s TYR 271 CO 0.04 -0.29 0.65 -0.51 -1.11 0.00 0.00 175.55 174.32 3i89 s LEU 272 N -0.01 3.98 -0.03 -1.29 1.43 0.99 -0.76 118.68 122.99 3i89 s LEU 272 Ca -0.02 0.94 0.00 0.00 -1.03 0.00 0.00 54.13 54.03 3i89 s LEU 272 Cb -0.03 -3.78 0.03 0.00 0.03 0.00 0.00 46.19 42.43 3i89 s LEU 272 CO 0.02 -0.26 0.01 -0.76 0.23 0.00 0.00 176.35 175.58 3i89 s LEU 273 N -3.54 1.18 0.28 1.79 1.43 -0.79 -2.40 118.68 116.62 3i89 s LEU 273 Ca 0.48 -0.01 0.06 0.00 -1.03 0.00 0.00 54.13 53.64 3i89 s LEU 273 Cb -0.11 -0.17 -0.03 0.00 0.03 0.00 0.00 46.19 45.92 3i89 s LEU 273 CO 0.29 -0.10 0.32 -0.83 0.23 0.00 0.00 176.35 176.25 3i89 s GLY 274 N 0.99 1.47 0.01 -3.19 0.00 0.32 -1.68 107.32 105.23 3i89 s GLY 274 Ca -0.09 -1.42 0.00 0.00 0.00 0.00 0.00 44.72 43.21 3i89 s GLY 274 CO -0.02 -1.41 -0.01 -0.35 0.00 0.00 0.00 173.10 171.31 3i89 s ASP 275 N -3.99 0.13 0.56 1.64 3.68 -1.22 -1.71 116.67 115.77 3i89 s ASP 275 Ca 0.37 -0.20 0.31 0.00 2.13 0.00 0.00 52.55 55.17 3i89 s ASP 275 Cb -0.08 0.03 1.45 0.00 -1.45 0.00 0.00 42.92 42.88 3i89 s ASP 275 CO 0.28 -0.11 1.84 -0.03 0.13 0.00 0.00 175.17 177.28 3i89 h MET 276 N 5.56 0.00 0.10 4.34 1.85 -1.70 -2.32 114.93 122.76 3i89 h MET 276 Ca -0.27 0.00 -0.26 0.00 -0.61 0.00 0.00 59.70 58.56 3i89 h MET 276 Cb 1.21 0.00 -0.00 0.00 0.43 0.00 0.00 31.60 33.24 3i89 h MET 276 CO 0.47 0.00 -1.17 0.93 -0.40 0.00 0.00 176.91 176.74 3i89 h GLU 277 N 0.00 0.24 0.00 0.39 4.39 -1.95 -3.48 114.58 114.17 3i89 h GLU 277 Ca 0.36 -0.39 0.00 0.00 0.34 0.00 0.00 59.36 59.68 3i89 h GLU 277 Cb 1.65 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 30.44 3i89 h GLU 277 CO -0.00 1.17 0.00 0.41 -1.16 0.00 0.00 179.01 179.43 3i89 n GLY 278 N 1.44 0.97 3.81 -3.84 0.00 -0.87 -4.81 105.19 101.88 3i89 n GLY 278 Ca -0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 3i89 n GLY 278 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i89 s ARG 279 N -0.14 4.13 -0.08 1.61 0.52 -1.26 0.12 118.95 123.84 3i89 s ARG 279 Ca 0.00 1.24 0.04 0.00 -0.52 0.00 0.00 55.73 56.49 3i89 s ARG 279 Cb 0.00 -2.24 0.00 0.00 0.52 0.00 0.00 34.95 33.23 3i89 s ARG 279 CO 0.00 -0.13 -0.20 -1.17 0.02 0.00 0.00 175.30 173.82 3i89 s LEU 280 N -3.12 1.93 0.24 2.53 2.96 -0.77 -3.45 118.68 118.99 3i89 s LEU 280 Ca 0.62 -0.46 0.11 0.00 -0.22 0.00 0.00 54.13 54.18 3i89 s LEU 280 Cb -0.13 -1.20 -0.05 0.00 0.50 0.00 0.00 46.19 45.32 3i89 s LEU 280 CO 0.17 0.12 -0.18 -0.36 -1.32 0.00 0.00 176.35 174.78 3i89 s PHE 281 N 0.41 2.38 -0.16 5.38 0.40 -0.68 -0.49 117.98 125.23 3i89 s PHE 281 Ca -0.16 -0.31 -0.03 0.00 -0.60 0.00 0.00 56.93 55.82 3i89 s PHE 281 Cb -0.17 -1.10 -0.02 0.00 0.51 0.00 0.00 43.02 42.24 3i89 s PHE 281 CO 0.07 0.61 -0.05 1.41 0.70 0.00 0.00 175.22 177.96 3i89 s MET 282 N -3.16 3.60 -0.26 0.44 1.75 -0.97 -1.88 119.30 118.81 3i89 s MET 282 Ca 0.26 -0.55 -0.05 0.00 -1.25 0.00 0.00 55.69 54.10 3i89 s MET 282 Cb -0.07 -2.89 0.00 0.00 2.84 0.00 0.00 34.83 34.72 3i89 s MET 282 CO 0.14 0.18 0.02 -1.17 -0.65 0.00 0.00 175.02 173.54 3i89 s LEU 283 N 0.50 3.42 -0.10 4.11 0.20 0.06 -1.73 118.68 125.15 3i89 s LEU 283 Ca -0.04 -0.58 -0.01 0.00 0.69 0.00 0.00 54.13 54.19 3i89 s LEU 283 Cb -0.15 -1.81 -0.03 0.00 -0.43 0.00 0.00 46.19 43.78 3i89 s LEU 283 CO 0.03 -0.11 -0.05 -0.76 -0.29 0.00 0.00 176.35 175.16 3i89 s LEU 284 N 1.48 3.21 -0.32 -0.68 1.02 0.93 -2.80 118.68 121.52 3i89 s LEU 284 Ca 0.04 -0.05 -0.04 0.00 0.02 0.00 0.00 54.13 54.09 3i89 s LEU 284 Cb -0.16 -1.73 0.05 0.00 0.02 0.00 0.00 46.19 44.37 3i89 s LEU 284 CO -0.00 0.29 0.06 -0.76 0.02 0.00 0.00 176.35 175.96 3i89 s LEU 285 N -0.38 4.16 -0.43 1.79 1.43 -0.21 -0.68 118.68 124.35 3i89 s LEU 285 Ca 0.06 -1.21 -0.28 0.00 -1.03 0.00 0.00 54.13 51.66 3i89 s LEU 285 Cb -0.12 -1.80 0.03 0.00 0.03 0.00 0.00 46.19 44.32 3i89 s LEU 285 CO 0.02 -0.30 1.08 -0.70 0.23 0.00 0.00 176.35 176.67 3i89 s GLU 286 N 1.33 3.78 0.00 1.70 2.12 0.29 -4.77 118.70 123.15 3i89 s GLU 286 Ca -0.03 0.61 0.00 0.00 0.36 0.00 0.00 54.97 55.91 3i89 s GLU 286 Cb -0.20 -3.87 0.00 0.00 0.26 0.00 0.00 34.13 30.33 3i89 s GLU 286 CO 0.01 -1.22 0.00 1.63 -0.54 0.00 0.00 175.26 175.14 3i89 n LYS 287 N 7.45 -0.00 0.00 4.30 5.02 -1.26 -1.14 118.16 132.53 3i89 n LYS 287 Ca 0.11 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.40 3i89 n LYS 287 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.49 3i89 n LYS 287 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 3i89 n GLU 288 N -0.73 0.00 -4.51 1.97 2.13 -1.26 -4.08 120.64 114.16 3i89 n GLU 288 Ca 0.00 0.00 -0.24 0.00 0.66 0.00 0.00 57.16 57.58 3i89 n GLU 288 Cb 0.00 0.00 -0.11 0.00 0.27 0.00 0.00 31.44 31.60 3i89 n GLU 288 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 3i89 s GLU 289 N -1.22 1.75 0.21 5.31 2.12 -1.26 -2.41 118.70 123.19 3i89 s GLU 289 Ca 0.00 -1.95 -0.05 0.00 0.36 0.00 0.00 54.97 53.33 3i89 s GLU 289 Cb 0.00 -1.31 -0.03 0.00 0.26 0.00 0.00 34.13 33.05 3i89 s GLU 289 CO 0.00 -0.04 0.24 1.14 -0.54 0.00 0.00 175.26 176.06 3i89 s GLN 290 N -3.75 1.29 0.00 4.30 -2.07 -1.24 -4.99 119.66 113.20 3i89 s GLN 290 Ca 0.34 -1.48 0.00 0.00 -1.82 0.00 0.00 55.36 52.40 3i89 s GLN 290 Cb 0.07 0.34 0.00 0.00 -1.09 0.00 0.00 33.01 32.33 3i89 s GLN 290 CO 0.16 -0.46 0.00 -1.33 -1.32 0.00 0.00 175.29 172.33 3i89 n MET 291 N -0.29 0.00 -1.51 9.60 2.81 -1.26 -3.81 117.12 122.66 3i89 n MET 291 Ca 0.00 0.00 -0.40 0.00 -1.81 0.00 0.00 57.70 55.49 3i89 n MET 291 Cb 0.64 -0.09 -0.01 0.00 -0.71 0.00 0.00 33.22 33.05 3i89 n MET 291 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3i89 n ASP 292 N 0.00 4.99 -3.64 7.83 8.00 -1.26 -4.72 116.55 127.75 3i89 n ASP 292 Ca 0.00 -2.73 -0.08 0.00 0.71 0.00 0.00 54.79 52.70 3i89 n ASP 292 Cb 0.00 -1.54 -0.07 0.00 -0.02 0.00 0.00 41.12 39.49 3i89 n ASP 292 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3i89 s GLY 293 N 3.16 -0.04 0.00 0.44 0.00 -1.25 -5.19 107.32 104.45 3i89 s GLY 293 Ca 0.53 2.83 0.00 0.00 0.00 0.00 0.00 44.72 48.09 3i89 s GLY 293 CO -0.06 1.79 0.00 2.41 0.00 0.00 0.00 173.10 177.24 3i89 n THR 294 N 1.93 0.00 -3.88 0.90 -1.04 -1.26 -3.99 114.28 106.94 3i89 n THR 294 Ca -0.12 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.61 3i89 n THR 294 Cb 0.56 0.00 -0.16 0.00 -1.82 0.00 0.00 70.33 68.91 3i89 n THR 294 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 3i89 s VAL 295 N 0.00 1.06 0.00 12.58 -7.23 -1.26 -3.72 120.40 121.83 3i89 s VAL 295 Ca 0.00 -0.62 0.00 0.00 -1.81 0.00 0.00 61.98 59.55 3i89 s VAL 295 Cb 0.00 -1.26 0.00 0.00 0.56 0.00 0.00 36.38 35.68 3i89 s VAL 295 CO 0.00 0.10 0.00 1.07 -0.31 0.00 0.00 175.10 175.96 3i89 n THR 296 N 4.89 0.00 -3.72 5.32 5.66 -1.01 -4.83 114.28 120.59 3i89 n THR 296 Ca -0.12 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.76 3i89 n THR 296 Cb 0.48 -0.72 -0.13 0.00 -1.55 0.00 0.00 70.33 68.40 3i89 n THR 296 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 3i89 s LEU 297 N 0.00 0.31 -0.20 1.09 1.02 -1.26 -4.18 118.68 115.45 3i89 s LEU 297 Ca 0.00 0.56 -0.12 0.00 0.02 0.00 0.00 54.13 54.59 3i89 s LEU 297 Cb 0.00 0.79 -0.20 0.00 0.02 0.00 0.00 46.19 46.80 3i89 s LEU 297 CO 0.00 -0.17 0.09 1.17 0.02 0.00 0.00 176.35 177.46 3i89 n LYS 298 N 4.33 0.64 -3.35 1.70 3.00 -0.29 -5.02 118.16 119.18 3i89 n LYS 298 Ca -0.24 0.36 -0.10 0.00 -0.00 0.00 0.00 58.31 58.33 3i89 n LYS 298 Cb 0.53 -1.66 -0.02 0.00 0.00 0.00 0.00 35.03 33.89 3i89 n LYS 298 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 3i89 n ASP 299 N -3.94 -1.17 -3.71 3.14 2.03 -1.24 -5.03 116.55 106.63 3i89 n ASP 299 Ca -0.38 -2.40 -0.14 0.00 0.52 0.00 0.00 54.79 52.39 3i89 n ASP 299 Cb 0.88 2.12 -0.09 0.00 -0.72 0.00 0.00 41.12 43.31 3i89 n ASP 299 CO 0.00 0.00 0.00 -1.48 -1.92 0.00 0.00 177.20 173.80 3i89 s LEU 300 N 0.00 0.44 0.21 -2.67 2.34 -1.25 -0.55 118.68 117.21 3i89 s LEU 300 Ca 0.20 0.44 -0.11 0.00 0.06 0.00 0.00 54.13 54.72 3i89 s LEU 300 Cb -0.01 1.55 -0.01 0.00 -0.56 0.00 0.00 46.19 47.16 3i89 s LEU 300 CO 0.15 -0.38 0.40 0.00 -1.06 0.00 0.00 176.35 175.45 3i89 s ARG 301 N -0.82 1.39 -0.11 1.48 1.70 0.14 -4.93 118.95 117.81 3i89 s ARG 301 Ca -0.09 -1.22 -0.01 0.00 -0.47 0.00 0.00 55.73 53.94 3i89 s ARG 301 Cb -0.04 0.43 -0.03 0.00 -0.57 0.00 0.00 34.95 34.75 3i89 s ARG 301 CO 0.04 -0.56 -0.07 0.08 -1.08 0.00 0.00 175.30 173.72 3i89 s VAL 302 N -4.00 3.65 -0.19 4.99 1.01 -1.26 -0.05 120.40 124.55 3i89 s VAL 302 Ca 0.21 -0.47 -0.01 0.00 0.00 0.00 0.00 61.98 61.71 3i89 s VAL 302 Cb 0.01 -2.54 0.05 0.00 0.00 0.00 0.00 36.38 33.90 3i89 s VAL 302 CO 0.06 0.54 -0.03 -1.61 0.00 0.00 0.00 175.10 174.06 3i89 s GLU 303 N -0.15 1.29 0.42 2.72 2.02 -0.70 -4.98 118.70 119.31 3i89 s GLU 303 Ca 0.02 -0.59 -0.24 0.00 0.02 0.00 0.00 54.97 54.17 3i89 s GLU 303 Cb -0.13 -2.14 -0.11 0.00 0.10 0.00 0.00 34.13 31.85 3i89 s GLU 303 CO 0.03 -0.51 1.00 -0.11 0.02 0.00 0.00 175.26 175.68 3i89 n LEU 304 N 4.87 2.56 -0.01 1.80 7.94 -1.26 -2.30 117.00 130.59 3i89 n LEU 304 Ca -0.11 1.03 -0.02 0.00 -1.11 0.00 0.00 56.01 55.80 3i89 n LEU 304 Cb 0.47 -1.35 -0.02 0.00 0.53 0.00 0.00 43.42 43.05 3i89 n LEU 304 CO 0.16 -1.51 -0.60 0.18 -1.11 0.00 0.00 177.39 174.51 3i89 n LEU 305 N 0.52 1.13 0.00 -1.96 4.77 0.36 -4.87 117.00 116.95 3i89 n LEU 305 Ca 0.09 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 3i89 n LEU 305 Cb 0.39 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 3i89 n LEU 305 CO 0.57 0.25 0.00 0.61 -1.33 0.00 0.00 177.39 177.49 3i89 n GLY 306 N 3.02 -0.18 3.08 -0.72 0.00 -1.23 -1.44 105.19 107.72 3i89 n GLY 306 Ca -0.05 -0.41 -0.12 0.00 0.00 0.00 0.00 46.02 45.43 3i89 n GLY 306 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3i89 s GLU 307 N -0.08 0.21 0.27 1.61 2.12 -1.26 -1.85 118.70 119.72 3i89 s GLU 307 Ca 0.00 0.71 0.01 0.00 0.36 0.00 0.00 54.97 56.05 3i89 s GLU 307 Cb 0.00 -0.03 0.01 0.00 0.26 0.00 0.00 34.13 34.37 3i89 s GLU 307 CO 0.00 -0.23 0.10 0.25 -0.54 0.00 0.00 175.26 174.84 3i89 n THR 308 N 4.86 0.00 -1.10 -1.70 -2.24 0.32 -4.97 114.28 109.45 3i89 n THR 308 Ca -0.15 -1.19 -0.29 0.00 -2.27 0.00 0.00 64.05 60.15 3i89 n THR 308 Cb 0.51 0.02 0.17 0.00 -2.10 0.00 0.00 70.33 68.93 3i89 n THR 308 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3i89 s SER 309 N -2.55 2.76 0.07 3.42 0.01 -1.26 -4.65 113.70 111.50 3i89 s SER 309 Ca 0.07 1.36 -0.31 0.00 1.31 0.00 0.00 55.95 58.39 3i89 s SER 309 Cb -0.01 -2.04 -0.09 0.00 0.21 0.00 0.00 66.02 64.10 3i89 s SER 309 CO 0.05 -3.07 1.78 -0.63 0.41 0.00 0.00 173.24 171.78 3i89 s ILE 310 N -2.89 2.91 -0.19 1.44 -1.09 -1.26 -4.69 121.20 115.43 3i89 s ILE 310 Ca 0.65 0.26 -0.11 0.00 -2.23 0.00 0.00 60.65 59.22 3i89 s ILE 310 Cb -0.19 -3.17 -0.05 0.00 -1.58 0.00 0.00 42.46 37.47 3i89 s ILE 310 CO 0.58 -0.01 0.19 0.00 -1.23 0.00 0.00 174.94 174.48 3i89 s ALA 311 N 3.18 3.65 -0.14 9.38 0.00 -1.26 -4.24 121.76 132.34 3i89 s ALA 311 Ca 0.79 -0.62 -0.09 0.00 0.00 0.00 0.00 51.96 52.04 3i89 s ALA 311 Cb -0.42 -2.27 -0.03 0.00 0.00 0.00 0.00 23.12 20.40 3i89 s ALA 311 CO 0.35 0.10 -0.18 0.39 0.00 0.00 0.00 175.76 176.42 3i89 n GLU 312 N 3.62 0.44 -4.25 0.00 -0.58 0.25 -4.71 120.64 115.40 3i89 n GLU 312 Ca -0.14 0.51 -0.33 0.00 -0.42 0.00 0.00 57.16 56.77 3i89 n GLU 312 Cb 0.52 -1.65 -0.08 0.00 -0.57 0.00 0.00 31.44 29.65 3i89 n GLU 312 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3i89 s LEU 314 N -1.46 -0.68 -0.23 0.00 2.96 -1.26 0.51 118.68 118.51 3i89 s LEU 314 Ca 0.19 1.11 -0.03 0.00 -0.22 0.00 0.00 54.13 55.18 3i89 s LEU 314 Cb -0.12 1.58 0.11 0.00 0.50 0.00 0.00 46.19 48.26 3i89 s LEU 314 CO 0.09 -0.22 0.26 -0.89 -1.32 0.00 0.00 176.35 174.27 3i89 s THR 315 N 2.45 -0.38 0.44 3.68 2.01 -0.33 -4.53 115.64 118.98 3i89 s THR 315 Ca -0.04 -0.20 -0.26 0.00 0.31 0.00 0.00 61.69 61.51 3i89 s THR 315 Cb -0.11 -0.77 -0.09 0.00 0.01 0.00 0.00 72.50 71.54 3i89 s THR 315 CO -0.14 -0.26 1.42 0.00 -0.69 0.00 0.00 174.62 174.95 3i89 n TYR 316 N 5.32 2.66 0.00 4.92 9.36 -1.26 -0.99 117.16 137.17 3i89 n TYR 316 Ca -0.04 0.45 0.00 0.00 3.32 0.00 0.00 57.90 61.62 3i89 n TYR 316 Cb 0.49 -2.46 0.00 0.00 -0.63 0.00 0.00 39.34 36.74 3i89 n TYR 316 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 3i89 n LEU 317 N -0.09 0.00 0.00 2.98 4.77 -0.36 -4.87 117.00 119.43 3i89 n LEU 317 Ca 0.05 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.87 3i89 n LEU 317 Cb 0.41 0.00 0.15 0.00 -2.33 0.00 0.00 43.42 41.65 3i89 n LEU 317 CO 0.60 0.00 0.22 0.47 -1.33 0.00 0.00 177.39 177.35 3i89 n ASP 318 N 0.00 -2.78 -4.43 -1.43 10.43 -1.26 -4.77 116.55 112.30 3i89 n ASP 318 Ca 0.00 -0.57 -0.52 0.00 2.57 0.00 0.00 54.79 56.26 3i89 n ASP 318 Cb 0.00 -0.54 -0.08 0.00 1.84 0.00 0.00 41.12 42.34 3i89 n ASP 318 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 3i89 n ASN 319 N -4.41 1.97 0.00 -2.24 3.02 -1.26 -1.75 115.26 110.60 3i89 n ASN 319 Ca 0.08 0.49 0.00 0.00 -0.03 0.00 0.00 54.58 55.11 3i89 n ASN 319 Cb 0.32 -1.21 0.00 0.00 -0.61 0.00 0.00 39.78 38.28 3i89 n ASN 319 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i89 n GLY 320 N 6.54 0.33 3.86 7.41 0.00 -1.26 -4.92 105.19 117.14 3i89 n GLY 320 Ca 0.42 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.12 3i89 n GLY 320 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i89 s VAL 321 N -1.60 4.75 -0.12 1.61 1.01 -0.72 0.14 120.40 125.48 3i89 s VAL 321 Ca 0.00 0.79 -0.05 0.00 0.00 0.00 0.00 61.98 62.72 3i89 s VAL 321 Cb 0.00 -3.62 0.06 0.00 0.00 0.00 0.00 36.38 32.82 3i89 s VAL 321 CO 0.00 -0.19 0.26 -0.69 0.00 0.00 0.00 175.10 174.48 3i89 s VAL 322 N -1.98 -0.30 0.16 2.92 1.01 0.11 -1.22 120.40 121.10 3i89 s VAL 322 Ca 0.52 0.24 -0.26 0.00 0.00 0.00 0.00 61.98 62.48 3i89 s VAL 322 Cb -0.10 -0.42 -0.08 0.00 0.00 0.00 0.00 36.38 35.77 3i89 s VAL 322 CO 0.20 0.10 0.82 0.12 0.00 0.00 0.00 175.10 176.33 3i89 s PHE 323 N 2.07 3.89 -0.28 5.22 5.36 -0.16 -0.61 117.98 133.47 3i89 s PHE 323 Ca -0.02 1.67 0.00 0.00 -0.96 0.00 0.00 56.93 57.63 3i89 s PHE 323 Cb -0.11 -2.83 0.08 0.00 -0.34 0.00 0.00 43.02 39.82 3i89 s PHE 323 CO -0.09 0.45 0.04 0.08 -1.46 0.00 0.00 175.22 174.24 3i89 s VAL 324 N -0.92 1.32 -0.01 3.12 1.01 -0.28 -1.19 120.40 123.45 3i89 s VAL 324 Ca 0.38 -1.46 -0.27 0.00 0.00 0.00 0.00 61.98 60.63 3i89 s VAL 324 Cb -0.23 -1.85 -0.04 0.00 0.00 0.00 0.00 36.38 34.26 3i89 s VAL 324 CO 0.27 -0.45 0.84 -0.83 0.00 0.00 0.00 175.10 174.93 3i89 s GLY 325 N 1.43 2.79 -0.04 4.51 0.00 0.18 -2.03 107.32 114.16 3i89 s GLY 325 Ca 0.04 0.35 0.02 0.00 0.00 0.00 0.00 44.72 45.14 3i89 s GLY 325 CO -0.14 1.38 -0.10 -0.45 0.00 0.00 0.00 173.10 173.78 3i89 s SER 326 N 0.66 1.46 -0.16 1.64 0.15 -1.26 -0.58 113.70 115.61 3i89 s SER 326 Ca 0.44 -0.23 0.09 0.00 0.70 0.00 0.00 55.95 56.95 3i89 s SER 326 Cb -0.20 -0.55 -0.23 0.00 -1.71 0.00 0.00 66.02 63.33 3i89 s SER 326 CO 0.24 0.04 0.21 -2.11 1.20 0.00 0.00 173.24 172.83 3i89 n ARG 327 N 3.58 0.68 0.26 5.44 1.85 -1.26 -3.08 116.66 124.13 3i89 n ARG 327 Ca -0.21 0.15 0.17 0.00 -1.00 0.00 0.00 57.85 56.96 3i89 n ARG 327 Cb 0.53 -1.63 0.69 0.00 -1.05 0.00 0.00 32.46 31.01 3i89 n ARG 327 CO 0.00 0.00 0.00 -0.07 -0.01 0.00 0.00 177.63 177.55 3i89 h LEU 328 N 0.01 0.00 0.00 2.89 3.38 -1.95 -3.30 115.31 116.35 3i89 h LEU 328 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.51 3i89 h LEU 328 Cb 2.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.83 3i89 h LEU 328 CO 0.03 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.17 3i89 n GLY 329 N -0.04 2.34 3.69 0.83 0.00 -1.26 -2.98 105.19 107.77 3i89 n GLY 329 Ca 0.01 -0.65 -0.42 0.00 0.00 0.00 0.00 46.02 44.95 3i89 n GLY 329 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i89 s ASP 330 N 2.00 6.77 0.54 1.61 1.11 -1.26 -4.53 116.67 122.90 3i89 s ASP 330 Ca 0.00 2.25 -0.20 0.00 0.18 0.00 0.00 52.55 54.78 3i89 s ASP 330 Cb 0.00 -2.56 -0.06 0.00 1.07 0.00 0.00 42.92 41.36 3i89 s ASP 330 CO 0.00 -0.77 1.12 -0.44 1.18 0.00 0.00 175.17 176.25 3i89 s SER 331 N 2.00 5.81 0.11 0.27 0.01 -0.99 -4.69 113.70 116.22 3i89 s SER 331 Ca 0.67 2.14 -0.12 0.00 1.31 0.00 0.00 55.95 59.95 3i89 s SER 331 Cb -0.34 -2.58 0.01 0.00 0.21 0.00 0.00 66.02 63.32 3i89 s SER 331 CO 0.28 -1.15 0.29 0.00 0.41 0.00 0.00 173.24 173.07 3i89 s GLN 332 N -3.28 0.96 -0.12 12.44 -2.07 -0.86 0.12 119.66 126.85 3i89 s GLN 332 Ca 0.72 -0.87 -0.02 0.00 -1.82 0.00 0.00 55.36 53.37 3i89 s GLN 332 Cb -0.23 0.40 -0.03 0.00 -1.09 0.00 0.00 33.01 32.06 3i89 s GLN 332 CO 0.26 -0.34 -0.03 -1.17 -1.32 0.00 0.00 175.29 172.69 3i89 s LEU 333 N -2.84 3.34 -0.01 2.60 2.96 -0.60 -1.13 118.68 122.99 3i89 s LEU 333 Ca 0.05 -0.02 -0.00 0.00 -0.22 0.00 0.00 54.13 53.93 3i89 s LEU 333 Cb 0.03 -1.78 0.02 0.00 0.50 0.00 0.00 46.19 44.96 3i89 s LEU 333 CO -0.11 0.27 0.02 -0.69 -1.32 0.00 0.00 176.35 174.52 3i89 s VAL 334 N -0.24 -0.03 -0.23 1.68 1.01 0.22 -0.27 120.40 122.55 3i89 s VAL 334 Ca 0.04 0.11 -0.08 0.00 0.00 0.00 0.00 61.98 62.05 3i89 s VAL 334 Cb -0.13 -0.05 -0.04 0.00 0.00 0.00 0.00 36.38 36.16 3i89 s VAL 334 CO 0.02 0.04 0.10 -0.75 0.00 0.00 0.00 175.10 174.51 3i89 s LYS 335 N 0.53 3.89 -0.11 2.72 2.47 0.28 0.10 119.74 129.62 3i89 s LYS 335 Ca -0.04 -0.37 -0.19 0.00 -1.56 0.00 0.00 55.97 53.80 3i89 s LYS 335 Cb -0.06 -3.36 -0.04 0.00 -1.46 0.00 0.00 37.83 32.91 3i89 s LYS 335 CO -0.02 0.03 0.53 -0.51 0.16 0.00 0.00 175.35 175.54 3i89 s LEU 336 N 1.05 4.28 0.30 5.43 1.43 0.36 0.10 118.68 131.64 3i89 s LEU 336 Ca 0.05 0.89 0.09 0.00 -1.03 0.00 0.00 54.13 54.13 3i89 s LEU 336 Cb -0.14 -2.78 -0.04 0.00 0.03 0.00 0.00 46.19 43.26 3i89 s LEU 336 CO 0.04 -0.03 0.07 0.20 0.23 0.00 0.00 176.35 176.86 3i89 s ASN 337 N 0.68 4.66 0.38 2.29 0.02 -0.42 -4.62 114.94 117.92 3i89 s ASN 337 Ca 0.28 -0.69 0.18 0.00 -1.02 0.00 0.00 52.86 51.61 3i89 s ASN 337 Cb -0.16 -0.82 0.72 0.00 0.02 0.00 0.00 41.25 41.01 3i89 s ASN 337 CO 0.12 -0.14 1.76 0.58 0.02 0.00 0.00 177.10 179.44 3i89 h VAL 338 N 1.71 0.95 -2.98 1.60 2.07 -1.99 -3.45 116.25 114.16 3i89 h VAL 338 Ca -0.44 -1.47 -0.62 0.00 0.82 0.00 0.00 66.70 65.00 3i89 h VAL 338 Cb 1.25 1.87 -0.13 0.00 -1.52 0.00 0.00 31.29 32.77 3i89 h VAL 338 CO 0.62 0.37 -0.69 -1.81 0.02 0.00 0.00 177.57 176.08 3i89 s ASP 339 N -6.50 4.54 -0.21 0.57 1.01 -1.26 -5.07 116.67 109.75 3i89 s ASP 339 Ca -0.01 -0.47 -0.13 0.00 0.71 0.00 0.00 52.55 52.66 3i89 s ASP 339 Cb 0.12 -0.89 -0.05 0.00 1.01 0.00 0.00 42.92 43.11 3i89 s ASP 339 CO 0.69 0.10 0.27 -0.94 0.21 0.00 0.00 175.17 175.50 3i89 s SER 340 N -2.83 6.30 0.00 0.27 1.04 -1.26 -4.50 113.70 112.71 3i89 s SER 340 Ca 0.26 0.34 0.00 0.00 0.48 0.00 0.00 55.95 57.03 3i89 s SER 340 Cb -0.09 -2.16 0.00 0.00 0.10 0.00 0.00 66.02 63.86 3i89 s SER 340 CO 0.17 0.03 0.00 -0.46 0.98 0.00 0.00 173.24 173.96 3i89 n ASN 341 N 4.17 0.00 -4.54 7.02 0.23 -1.25 -4.65 115.26 116.24 3i89 n ASN 341 Ca -0.12 0.00 -0.43 0.00 -0.53 0.00 0.00 54.58 53.50 3i89 n ASN 341 Cb 0.52 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 38.15 3i89 n ASN 341 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 3i89 s GLU 342 N 0.00 3.47 0.00 -3.83 0.41 -1.26 -3.74 118.70 113.75 3i89 s GLU 342 Ca 0.00 -0.12 0.00 0.00 -0.41 0.00 0.00 54.97 54.44 3i89 s GLU 342 Cb 0.00 -3.90 0.00 0.00 -1.78 0.00 0.00 34.13 28.45 3i89 s GLU 342 CO 0.00 -0.95 0.00 0.94 -0.49 0.00 0.00 175.26 174.76 3i89 n GLN 343 N 6.35 0.00 -2.34 1.61 7.27 -1.26 -4.63 117.38 124.37 3i89 n GLN 343 Ca -0.00 0.00 -0.05 0.00 0.07 0.00 0.00 57.00 57.02 3i89 n GLN 343 Cb 0.48 0.00 0.03 0.00 2.41 0.00 0.00 30.24 33.16 3i89 n GLN 343 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3i89 n GLY 344 N -1.13 0.21 2.87 1.69 0.00 -1.25 -5.03 105.19 102.56 3i89 n GLY 344 Ca 0.00 -0.22 -0.29 0.00 0.00 0.00 0.00 46.02 45.51 3i89 n GLY 344 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i89 s SER 345 N -3.34 4.18 0.00 1.61 0.15 -1.26 -4.74 113.70 110.29 3i89 s SER 345 Ca 0.04 -3.13 0.00 0.00 0.70 0.00 0.00 55.95 53.56 3i89 s SER 345 Cb -0.01 -1.46 0.00 0.00 -1.71 0.00 0.00 66.02 62.84 3i89 s SER 345 CO 0.23 -0.20 0.05 -1.22 1.20 0.00 0.00 173.24 173.30 3i89 n TYR 346 N 2.93 0.00 -4.94 3.44 4.02 -0.52 -3.75 117.16 118.34 3i89 n TYR 346 Ca 0.10 0.00 -0.33 0.00 -0.01 0.00 0.00 57.90 57.67 3i89 n TYR 346 Cb 0.34 0.00 -0.15 0.00 -0.02 0.00 0.00 39.34 39.51 3i89 n TYR 346 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 3i89 s VAL 347 N -1.78 2.72 -0.04 -0.72 1.01 -1.23 -1.30 120.40 119.05 3i89 s VAL 347 Ca 0.00 -0.79 0.02 0.00 0.00 0.00 0.00 61.98 61.21 3i89 s VAL 347 Cb 0.00 -2.10 0.01 0.00 0.00 0.00 0.00 36.38 34.29 3i89 s VAL 347 CO 0.00 0.54 -0.08 -0.69 0.00 0.00 0.00 175.10 174.87 3i89 s VAL 348 N 0.21 0.78 -0.02 2.92 1.01 0.12 -4.93 120.40 120.48 3i89 s VAL 348 Ca -0.10 -0.31 -0.30 0.00 0.00 0.00 0.00 61.98 61.27 3i89 s VAL 348 Cb -0.16 -0.73 -0.04 0.00 0.00 0.00 0.00 36.38 35.46 3i89 s VAL 348 CO 0.06 0.26 1.15 0.00 0.00 0.00 0.00 175.10 176.57 3i89 s ALA 349 N 0.53 3.41 -0.19 5.51 0.00 -1.26 0.10 121.76 129.86 3i89 s ALA 349 Ca -0.09 0.65 -0.15 0.00 0.00 0.00 0.00 51.96 52.37 3i89 s ALA 349 Cb -0.12 -3.47 -0.08 0.00 0.00 0.00 0.00 23.12 19.45 3i89 s ALA 349 CO 0.01 -0.59 -0.18 -1.33 0.00 0.00 0.00 175.76 173.68 3i89 n MET 350 N 4.66 0.52 -4.62 0.00 2.81 0.63 -4.88 117.12 116.25 3i89 n MET 350 Ca 0.10 0.41 -0.28 0.00 -1.81 0.00 0.00 57.70 56.11 3i89 n MET 350 Cb 0.47 -1.60 -0.08 0.00 -0.71 0.00 0.00 33.22 31.30 3i89 n MET 350 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 3i89 s GLU 351 N -2.50 2.02 -0.30 0.03 2.12 -0.84 -4.96 118.70 114.28 3i89 s GLU 351 Ca -0.25 -2.25 -0.01 0.00 0.36 0.00 0.00 54.97 52.81 3i89 s GLU 351 Cb 0.05 -1.04 0.19 0.00 0.26 0.00 0.00 34.13 33.59 3i89 s GLU 351 CO 0.39 -0.40 0.63 0.99 -0.54 0.00 0.00 175.26 176.33 3i89 s THR 352 N -3.06 -0.96 -0.18 -1.70 2.01 -1.26 -1.56 115.64 108.92 3i89 s THR 352 Ca 0.18 0.00 -0.08 0.00 0.31 0.00 0.00 61.69 62.10 3i89 s THR 352 Cb 0.03 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.50 3i89 s THR 352 CO 0.10 0.00 0.08 -0.36 -0.69 0.00 0.00 174.62 173.75 3i89 s PHE 353 N 2.86 3.29 -0.04 4.92 0.40 0.33 -4.99 117.98 124.76 3i89 s PHE 353 Ca 0.19 0.14 -0.30 0.00 -0.60 0.00 0.00 56.93 56.36 3i89 s PHE 353 Cb -0.14 -2.09 -0.05 0.00 0.51 0.00 0.00 43.02 41.25 3i89 s PHE 353 CO -0.21 0.19 1.40 0.95 0.70 0.00 0.00 175.22 178.25 3i89 s THR 354 N 0.34 3.83 -0.26 0.64 -4.23 -1.26 -2.34 115.64 112.37 3i89 s THR 354 Ca 0.04 1.15 0.03 0.00 -1.18 0.00 0.00 61.69 61.73 3i89 s THR 354 Cb -0.12 -3.74 0.06 0.00 1.34 0.00 0.00 72.50 70.04 3i89 s THR 354 CO -0.00 -0.03 -0.09 0.21 -0.54 0.00 0.00 174.62 174.16 3i89 s ASN 355 N 2.08 4.35 0.00 3.99 2.47 -1.26 -4.91 114.94 121.66 3i89 s ASN 355 Ca 0.63 -1.39 0.03 0.00 0.42 0.00 0.00 52.86 52.55 3i89 s ASN 355 Cb -0.29 -1.48 0.15 0.00 -1.45 0.00 0.00 41.25 38.17 3i89 s ASN 355 CO 0.25 -0.21 0.52 0.18 -3.72 0.00 0.00 177.10 174.12 3i89 n LEU 356 N 4.47 0.00 0.00 3.21 4.77 -1.26 -4.52 117.00 123.67 3i89 n LEU 356 Ca -0.13 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 3i89 n LEU 356 Cb 0.42 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 3i89 n LEU 356 CO 0.20 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.87 3i89 n GLY 357 N -0.19 0.45 3.70 -0.72 0.00 -1.26 -3.54 105.19 103.63 3i89 n GLY 357 Ca 0.02 -0.92 -0.42 0.00 0.00 0.00 0.00 46.02 44.70 3i89 n GLY 357 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3i89 s PRO 358 N 0.00 4.19 -0.75 1.61 0.02 -1.20 -2.50 135.00 136.37 3i89 s PRO 358 Ca 0.00 2.39 -0.18 0.00 0.02 0.00 0.00 61.00 63.23 3i89 s PRO 358 Cb 0.00 -3.43 0.13 0.00 0.02 0.00 0.00 34.50 31.22 3i89 s PRO 358 CO 0.00 -0.71 0.89 0.42 -0.33 0.00 0.00 177.00 177.27 3i89 s ILE 359 N 2.11 4.86 0.18 2.83 1.01 -0.99 -2.63 121.20 128.57 3i89 s ILE 359 Ca 0.74 -1.36 0.00 0.00 0.00 0.00 0.00 60.65 60.03 3i89 s ILE 359 Cb -0.42 -4.61 -0.11 0.00 0.01 0.00 0.00 42.46 37.33 3i89 s ILE 359 CO 0.32 -1.28 1.44 0.58 0.00 0.00 0.00 174.94 176.00 3i89 h VAL 360 N 5.71 1.40 -3.00 2.92 2.07 -1.74 -3.38 116.25 120.23 3i89 h VAL 360 Ca -0.08 -2.21 0.04 0.00 0.82 0.00 0.00 66.70 65.28 3i89 h VAL 360 Cb 1.06 2.17 -0.08 0.00 -1.52 0.00 0.00 31.29 32.91 3i89 h VAL 360 CO 1.05 0.66 0.22 -0.62 0.02 0.00 0.00 177.57 178.91 3i89 s ASP 361 N -6.96 -0.38 0.29 0.57 3.68 -1.25 -4.75 116.67 107.87 3i89 s ASP 361 Ca -0.05 -0.37 -0.13 0.00 2.13 0.00 0.00 52.55 54.12 3i89 s ASP 361 Cb 0.11 0.68 0.05 0.00 -1.45 0.00 0.00 42.92 42.31 3i89 s ASP 361 CO 0.83 -1.20 0.69 1.15 0.13 0.00 0.00 175.17 176.77 3i89 n MET 362 N -0.43 0.85 -3.75 4.34 0.00 -1.26 -0.64 117.12 116.23 3i89 n MET 362 Ca -0.09 -1.70 -0.01 0.00 0.00 0.00 0.00 57.70 55.90 3i89 n MET 362 Cb 0.61 2.15 -0.00 0.00 0.00 0.00 0.00 33.22 35.99 3i89 n MET 362 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3i89 s VAL 364 N -2.59 5.18 -0.29 0.00 1.01 -1.26 -0.99 120.40 121.46 3i89 s VAL 364 Ca 0.17 -0.99 -0.16 0.00 0.00 0.00 0.00 61.98 60.99 3i89 s VAL 364 Cb 0.01 -3.83 0.17 0.00 0.00 0.00 0.00 36.38 32.73 3i89 s VAL 364 CO 0.00 -0.32 1.08 -0.69 0.00 0.00 0.00 175.10 175.17 3i89 s VAL 365 N -1.99 0.00 -0.20 2.92 1.01 -0.91 -4.93 120.40 116.30 3i89 s VAL 365 Ca 0.35 0.00 0.02 0.00 0.00 0.00 0.00 61.98 62.34 3i89 s VAL 365 Cb -0.09 -1.00 0.29 0.00 0.00 0.00 0.00 36.38 35.58 3i89 s VAL 365 CO 0.29 0.00 1.43 0.47 0.00 0.00 0.00 175.10 177.29 3i89 n ASP 366 N 3.41 3.45 0.00 3.32 8.00 -1.26 -0.95 116.55 132.52 3i89 n ASP 366 Ca -0.18 -2.71 0.00 0.00 0.71 0.00 0.00 54.79 52.61 3i89 n ASP 366 Cb 0.57 -0.67 0.00 0.00 -0.02 0.00 0.00 41.12 41.01 3i89 n ASP 366 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3i89 n LEU 367 N -0.19 0.00 -0.97 0.64 4.77 -1.26 0.50 117.00 120.48 3i89 n LEU 367 Ca 0.26 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 3i89 n LEU 367 Cb 1.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.09 3i89 n LEU 367 CO 0.27 0.00 0.06 -1.84 -1.33 0.00 0.00 177.39 174.55 3i89 n GLU 368 N 0.00 0.13 -0.28 3.23 0.00 -1.26 -4.79 120.64 117.66 3i89 n GLU 368 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 3i89 n GLU 368 Cb 0.00 -1.42 0.00 0.00 0.00 0.00 0.00 31.44 30.02 3i89 n GLU 368 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 3i89 n ARG 369 N 0.91 0.00 0.00 3.44 0.63 1.86 -4.93 116.66 118.57 3i89 n ARG 369 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 3i89 n ARG 369 Cb 0.06 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.97 3i89 n ARG 369 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 3i89 n GLN 370 N 0.68 0.00 0.00 -0.14 6.02 -1.22 -5.07 117.38 117.64 3i89 n GLN 370 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3i89 n GLN 370 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 3i89 n GLN 370 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3i89 n GLY 371 N 3.43 0.07 3.88 1.08 0.00 -1.26 -5.07 105.19 107.32 3i89 n GLY 371 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 3i89 n GLY 371 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3i89 s GLN 372 N 0.00 3.72 0.00 1.61 1.03 -1.26 -4.32 119.66 120.44 3i89 s GLN 372 Ca 0.00 0.37 -0.06 0.00 0.04 0.00 0.00 55.36 55.70 3i89 s GLN 372 Cb 0.00 -2.42 -0.05 0.00 0.03 0.00 0.00 33.01 30.58 3i89 s GLN 372 CO 0.00 -0.04 0.26 0.20 -2.54 0.00 0.00 175.29 173.17 3i89 s GLY 373 N -3.33 2.24 0.45 2.60 0.00 -1.22 -4.51 107.32 103.56 3i89 s GLY 373 Ca 0.50 -0.59 0.04 0.00 0.00 0.00 0.00 44.72 44.67 3i89 s GLY 373 CO 0.34 -0.41 0.63 1.20 0.00 0.00 0.00 173.10 174.86 3i89 s GLN 374 N -1.76 2.84 0.00 2.90 -1.52 -0.12 -4.57 119.66 117.43 3i89 s GLN 374 Ca 0.27 -0.91 0.06 0.00 -1.95 0.00 0.00 55.36 52.83 3i89 s GLN 374 Cb -0.13 -2.65 -0.02 0.00 -0.22 0.00 0.00 33.01 29.99 3i89 s GLN 374 CO 0.16 -0.34 -0.18 -1.17 -0.25 0.00 0.00 175.29 173.51 3i89 s LEU 375 N -4.48 2.07 -0.08 2.90 2.96 0.13 -2.15 118.68 120.03 3i89 s LEU 375 Ca 0.52 -0.38 0.01 0.00 -0.22 0.00 0.00 54.13 54.06 3i89 s LEU 375 Cb -0.10 -0.91 0.02 0.00 0.50 0.00 0.00 46.19 45.70 3i89 s LEU 375 CO 0.35 0.19 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.81 3i89 s VAL 376 N -0.53 0.84 -0.03 1.68 1.01 -0.16 0.66 120.40 123.87 3i89 s VAL 376 Ca 0.07 -0.24 0.05 0.00 0.00 0.00 0.00 61.98 61.85 3i89 s VAL 376 Cb -0.07 -0.85 -0.01 0.00 0.00 0.00 0.00 36.38 35.45 3i89 s VAL 376 CO -0.00 0.31 -0.18 0.42 0.00 0.00 0.00 175.10 175.65 3i89 s THR 377 N 1.25 1.44 0.05 3.92 -4.23 -0.58 -1.12 115.64 116.38 3i89 s THR 377 Ca -0.05 -0.76 -0.26 0.00 -1.18 0.00 0.00 61.69 59.45 3i89 s THR 377 Cb -0.14 -1.22 -0.05 0.00 1.34 0.00 0.00 72.50 72.43 3i89 s THR 377 CO -0.02 0.41 0.82 0.00 -0.54 0.00 0.00 174.62 175.28 3i89 s SER 379 N 0.11 -0.05 0.49 0.00 0.01 0.14 -2.03 113.70 112.36 3i89 s SER 379 Ca 0.41 -0.46 0.00 0.00 1.31 0.00 0.00 55.95 57.21 3i89 s SER 379 Cb -0.21 0.40 0.00 0.00 0.21 0.00 0.00 66.02 66.42 3i89 s SER 379 CO 0.24 -0.77 0.00 0.61 0.41 0.00 0.00 173.24 173.74 3i89 n GLY 380 N -0.06 -1.57 3.28 3.44 0.00 -1.08 0.16 105.19 109.37 3i89 n GLY 380 Ca -0.16 -1.21 -0.12 0.00 0.00 0.00 0.00 46.02 44.54 3i89 n GLY 380 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i89 s ALA 381 N -1.61 -0.78 0.00 4.61 0.00 -1.16 -4.64 121.76 118.18 3i89 s ALA 381 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 51.96 52.01 3i89 s ALA 381 Cb 0.00 0.38 0.00 0.00 0.00 0.00 0.00 23.12 23.50 3i89 s ALA 381 CO 0.00 -0.46 0.00 1.19 0.00 0.00 0.00 175.76 176.49 3i89 n PHE 382 N 0.43 0.00 -0.12 0.00 3.01 -1.26 -1.60 117.46 117.93 3i89 n PHE 382 Ca -0.18 0.00 0.09 0.00 1.01 0.00 0.00 57.45 58.37 3i89 n PHE 382 Cb 0.60 0.04 0.43 0.00 -0.01 0.00 0.00 39.48 40.54 3i89 n PHE 382 CO 0.00 0.00 0.00 1.57 1.01 0.00 0.00 176.76 179.34 3i89 h LYS 383 N 0.00 0.56 0.00 -1.08 2.10 -1.83 0.36 116.57 116.67 3i89 h LYS 383 Ca 0.00 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.62 3i89 h LYS 383 Cb 0.00 -0.13 0.00 0.00 -0.90 0.00 0.00 32.23 31.20 3i89 h LYS 383 CO 0.00 0.37 0.00 0.39 -2.00 0.00 0.00 179.45 178.21 3i89 n GLU 384 N -4.48 0.10 -0.71 0.07 -0.58 -0.63 -3.45 120.64 110.97 3i89 n GLU 384 Ca 0.09 0.50 -0.32 0.00 -0.42 0.00 0.00 57.16 57.02 3i89 n GLU 384 Cb 0.27 -1.77 0.16 0.00 -0.57 0.00 0.00 31.44 29.53 3i89 n GLU 384 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3i89 n GLY 385 N -0.85 -1.64 0.00 0.62 0.00 0.12 -4.48 105.19 98.97 3i89 n GLY 385 Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.23 3i89 n GLY 385 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i89 n SER 386 N -2.60 0.00 -4.33 1.61 3.41 0.12 -1.87 113.62 109.97 3i89 n SER 386 Ca 0.07 0.00 -0.28 0.00 -0.26 0.00 0.00 58.87 58.40 3i89 n SER 386 Cb 0.54 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.36 3i89 n SER 386 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3i89 s LEU 387 N 0.00 2.22 -0.06 1.04 1.43 -0.48 -0.69 118.68 122.14 3i89 s LEU 387 Ca 0.00 -0.63 0.02 0.00 -1.03 0.00 0.00 54.13 52.50 3i89 s LEU 387 Cb 0.00 -1.15 0.01 0.00 0.03 0.00 0.00 46.19 45.08 3i89 s LEU 387 CO 0.00 0.19 -0.12 -0.13 0.23 0.00 0.00 176.35 176.52 3i89 s ARG 388 N -1.52 1.66 -0.15 1.70 1.81 -0.86 0.56 118.95 122.15 3i89 s ARG 388 Ca 0.11 -0.43 -0.06 0.00 -1.72 0.00 0.00 55.73 53.63 3i89 s ARG 388 Cb -0.10 -1.39 -0.04 0.00 -0.45 0.00 0.00 34.95 32.98 3i89 s ARG 388 CO 0.03 0.05 0.05 0.42 -0.68 0.00 0.00 175.30 175.18 3i89 s ILE 389 N 0.57 4.74 -0.09 1.52 1.09 0.50 -1.53 121.20 128.00 3i89 s ILE 389 Ca -0.13 -0.06 0.01 0.00 -1.10 0.00 0.00 60.65 59.37 3i89 s ILE 389 Cb -0.15 -3.10 0.02 0.00 -1.06 0.00 0.00 42.46 38.17 3i89 s ILE 389 CO 0.03 0.51 -0.10 -0.63 -0.10 0.00 0.00 174.94 174.65 3i89 s ILE 390 N -0.06 1.10 -0.05 2.92 -1.09 0.21 -0.11 121.20 124.12 3i89 s ILE 390 Ca 0.06 -0.40 0.01 0.00 -2.23 0.00 0.00 60.65 58.10 3i89 s ILE 390 Cb -0.12 -1.06 0.02 0.00 -1.58 0.00 0.00 42.46 39.72 3i89 s ILE 390 CO 0.01 0.36 -0.06 -0.60 -1.23 0.00 0.00 174.94 173.42 3i89 s ARG 391 N 1.16 1.05 0.32 2.79 3.00 -0.46 0.18 118.95 127.00 3i89 s ARG 391 Ca -0.05 -0.18 -0.28 0.00 -1.00 0.00 0.00 55.73 54.21 3i89 s ARG 391 Cb -0.14 -0.98 -0.09 0.00 0.00 0.00 0.00 34.95 33.73 3i89 s ARG 391 CO -0.02 -0.05 1.15 1.21 0.00 0.00 0.00 175.30 177.58 3i89 s ASN 392 N 0.84 6.98 0.00 -2.12 2.47 -1.26 -0.98 114.94 120.87 3i89 s ASN 392 Ca -0.12 2.34 0.00 0.00 0.42 0.00 0.00 52.86 55.50 3i89 s ASN 392 Cb -0.15 -2.62 0.00 0.00 -1.45 0.00 0.00 41.25 37.03 3i89 s ASN 392 CO 0.01 -0.35 0.00 0.61 -3.72 0.00 0.00 177.10 173.65 3i89 n GLY 393 N 0.93 -2.23 3.13 1.21 0.00 0.45 -4.87 105.19 103.80 3i89 n GLY 393 Ca 0.01 -1.64 -0.32 0.00 0.00 0.00 0.00 46.02 44.06 3i89 n GLY 393 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i89 s ILE 394 N -0.27 1.95 0.36 -0.61 1.01 0.68 -4.38 121.20 119.94 3i89 s ILE 394 Ca 0.00 -0.89 0.08 0.00 0.00 0.00 0.00 60.65 59.83 3i89 s ILE 394 Cb 0.00 -1.75 -0.03 0.00 0.01 0.00 0.00 42.46 40.69 3i89 s ILE 394 CO 0.00 0.53 0.29 -0.83 0.00 0.00 0.00 174.94 174.93 3i89 s GLY 395 N 1.06 1.90 0.02 6.18 0.00 -1.26 0.14 107.32 115.36 3i89 s GLY 395 Ca -0.02 -1.74 -0.00 0.00 0.00 0.00 0.00 44.72 42.96 3i89 s GLY 395 CO -0.06 -1.64 -0.02 -0.26 0.00 0.00 0.00 173.10 171.11 3i89 s ILE 396 N -2.37 0.11 -0.31 0.90 -0.00 -1.26 -3.03 121.20 115.24 3i89 s ILE 396 Ca 0.42 -0.94 -0.08 0.00 -0.00 0.00 0.00 60.65 60.05 3i89 s ILE 396 Cb -0.05 -0.32 0.00 0.00 -0.00 0.00 0.00 42.46 42.10 3i89 s ILE 396 CO 0.26 -0.52 0.13 -1.00 -0.00 0.00 0.00 174.94 173.81 3i89 s HIS 397 N -1.56 3.17 -0.15 1.37 3.76 -1.24 -5.00 115.29 115.63 3i89 s HIS 397 Ca -0.15 -0.80 -0.25 0.00 -0.15 0.00 0.00 55.06 53.70 3i89 s HIS 397 Cb -0.09 -2.32 -0.02 0.00 1.11 0.00 0.00 32.58 31.26 3i89 s HIS 397 CO -0.01 -0.53 0.83 -1.83 -0.85 0.00 0.00 174.74 172.35 3i89 s GLU 398 N 1.55 4.32 -0.03 1.40 -1.05 -1.26 -4.20 118.70 119.43 3i89 s GLU 398 Ca 0.03 1.03 -0.03 0.00 -0.15 0.00 0.00 54.97 55.85 3i89 s GLU 398 Cb -0.17 -3.56 -0.01 0.00 -0.44 0.00 0.00 34.13 29.94 3i89 s GLU 398 CO 0.05 -0.29 -0.06 0.72 0.95 0.00 0.00 175.26 176.62 3i89 n HIS 399 N 5.08 0.02 -2.57 4.83 8.25 -1.10 -5.01 115.22 124.71 3i89 n HIS 399 Ca 0.04 0.01 -0.22 0.00 -0.26 0.00 0.00 57.72 57.29 3i89 n HIS 399 Cb 0.49 -0.12 0.04 0.00 1.12 0.00 0.00 29.99 31.53 3i89 n HIS 399 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3i89 s ALA 400 N -2.98 3.78 -0.44 -1.41 0.00 -1.26 -5.05 121.76 114.40 3i89 s ALA 400 Ca -0.05 -1.29 0.07 0.00 0.00 0.00 0.00 51.96 50.69 3i89 s ALA 400 Cb 0.01 -2.15 0.18 0.00 0.00 0.00 0.00 23.12 21.16 3i89 s ALA 400 CO 0.08 -0.86 0.63 0.45 0.00 0.00 0.00 175.76 176.05 3i89 s SER 401 N -4.45 -1.17 -0.39 0.00 0.15 -1.25 -4.56 113.70 102.03 3i89 s SER 401 Ca 0.58 -1.20 -0.09 0.00 0.70 0.00 0.00 55.95 55.94 3i89 s SER 401 Cb -0.10 1.74 0.06 0.00 -1.71 0.00 0.00 66.02 66.01 3i89 s SER 401 CO 0.40 -0.14 0.21 -0.63 1.20 0.00 0.00 173.24 174.28 3i89 s ILE 402 N 1.47 4.18 -0.59 6.45 1.09 -1.17 -4.89 121.20 127.74 3i89 s ILE 402 Ca 0.21 -1.25 -0.27 0.00 -1.10 0.00 0.00 60.65 58.24 3i89 s ILE 402 Cb -0.04 -3.48 0.00 0.00 -1.06 0.00 0.00 42.46 37.89 3i89 s ILE 402 CO -0.06 -0.39 1.57 1.51 -0.10 0.00 0.00 174.94 177.47 3i89 s ASP 403 N 1.84 5.83 -0.49 3.58 3.84 -1.26 -0.24 116.67 129.78 3i89 s ASP 403 Ca 0.02 0.27 0.04 0.00 -0.00 0.00 0.00 52.55 52.87 3i89 s ASP 403 Cb -0.21 -2.54 0.13 0.00 -1.38 0.00 0.00 42.92 38.91 3i89 s ASP 403 CO 0.03 -1.95 0.23 -0.76 -0.00 0.00 0.00 175.17 172.72 3i89 s LEU 404 N 7.06 4.14 -0.15 2.11 1.43 -1.26 -4.70 118.68 127.30 3i89 s LEU 404 Ca 0.57 -2.85 -0.30 0.00 -1.03 0.00 0.00 54.13 50.52 3i89 s LEU 404 Cb -0.12 -1.55 -0.35 0.00 0.03 0.00 0.00 46.19 44.20 3i89 s LEU 404 CO 0.23 -0.26 1.66 -2.65 0.23 0.00 0.00 176.35 175.56 3i89 n PRO 405 N 3.32 0.15 0.00 1.29 -0.02 -1.26 -3.12 135.00 135.37 3i89 n PRO 405 Ca 0.05 -1.13 0.00 0.00 -2.02 0.00 0.00 63.50 60.40 3i89 n PRO 405 Cb 0.34 -2.64 0.00 0.00 -0.02 0.00 0.00 33.50 31.18 3i89 n PRO 405 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i89 n GLY 406 N 5.04 -0.40 0.00 -1.23 0.00 -1.21 -4.98 105.19 102.41 3i89 n GLY 406 Ca 0.47 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.57 3i89 n GLY 406 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3i89 n ILE 407 N 0.00 0.00 -0.71 -0.61 5.41 -1.18 -4.60 119.36 117.67 3i89 n ILE 407 Ca 0.00 0.00 0.08 0.00 1.00 0.00 0.00 62.75 63.83 3i89 n ILE 407 Cb 0.00 0.00 0.25 0.00 -0.71 0.00 0.00 39.64 39.18 3i89 n ILE 407 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 3i89 n LYS 408 N 0.00 3.15 0.00 0.38 4.76 0.54 -4.91 118.16 122.08 3i89 n LYS 408 Ca 0.00 -2.65 0.00 0.00 -2.87 0.00 0.00 58.31 52.79 3i89 n LYS 408 Cb 0.00 -1.72 0.00 0.00 -1.84 0.00 0.00 35.03 31.47 3i89 n LYS 408 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3i89 n GLY 409 N 0.06 1.29 3.64 0.72 0.00 -1.12 -4.70 105.19 105.07 3i89 n GLY 409 Ca 0.20 -0.93 -0.07 0.00 0.00 0.00 0.00 46.02 45.22 3i89 n GLY 409 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3i89 s LEU 410 N 0.00 -0.29 0.12 0.99 0.05 -1.26 -3.03 118.68 115.26 3i89 s LEU 410 Ca 0.00 0.55 0.05 0.00 0.05 0.00 0.00 54.13 54.78 3i89 s LEU 410 Cb 0.00 1.56 -0.04 0.00 -2.05 0.00 0.00 46.19 45.66 3i89 s LEU 410 CO 0.00 -0.09 -0.13 0.26 -0.55 0.00 0.00 176.35 175.84 3i89 s TRP 411 N 0.15 1.30 0.18 3.48 0.51 -1.09 -4.69 118.94 118.77 3i89 s TRP 411 Ca 0.05 -0.59 -0.03 0.00 -2.12 0.00 0.00 56.10 53.41 3i89 s TRP 411 Cb -0.05 -0.68 0.04 0.00 -0.81 0.00 0.00 33.47 31.97 3i89 s TRP 411 CO -0.10 0.10 0.09 -2.30 -0.51 0.00 0.00 176.95 174.23 3i89 n PRO 412 N 0.51 -1.00 0.00 4.98 -0.02 -1.26 -3.59 135.00 134.63 3i89 n PRO 412 Ca -0.15 -0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.17 3i89 n PRO 412 Cb 0.57 -0.25 0.00 0.00 -0.02 0.00 0.00 33.50 33.80 3i89 n PRO 412 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3i89 n LEU 413 N 0.00 0.00 -4.87 2.45 7.94 -1.17 -4.44 117.00 116.91 3i89 n LEU 413 Ca 0.01 0.00 -0.32 0.00 -1.11 0.00 0.00 56.01 54.59 3i89 n LEU 413 Cb 0.06 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 43.96 3i89 n LEU 413 CO 0.04 0.00 0.22 0.00 -1.11 0.00 0.00 177.39 176.54 3i89 s ARG 414 N 0.00 3.81 -0.11 1.96 1.70 -1.26 0.41 118.95 125.45 3i89 s ARG 414 Ca 0.00 0.29 0.14 0.00 -0.47 0.00 0.00 55.73 55.69 3i89 s ARG 414 Cb 0.00 -2.64 0.35 0.00 -0.57 0.00 0.00 34.95 32.09 3i89 s ARG 414 CO 0.00 0.31 1.26 0.45 -1.08 0.00 0.00 175.30 176.25 3i89 n SER 415 N -0.13 3.05 -3.63 -2.89 2.88 -1.26 -4.83 113.62 106.81 3i89 n SER 415 Ca 0.00 -2.72 -0.19 0.00 -1.33 0.00 0.00 58.87 54.64 3i89 n SER 415 Cb 0.52 -0.39 -0.16 0.00 -0.75 0.00 0.00 64.21 63.44 3i89 n SER 415 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3i89 s ASP 416 N -1.90 1.13 0.45 -3.46 3.68 -1.26 -5.04 116.67 110.28 3i89 s ASP 416 Ca 0.30 0.07 0.19 0.00 2.13 0.00 0.00 52.55 55.24 3i89 s ASP 416 Cb 0.24 0.18 1.01 0.00 -1.45 0.00 0.00 42.92 42.91 3i89 s ASP 416 CO 0.07 -0.28 1.51 -0.65 0.13 0.00 0.00 175.17 175.96 3i89 h PRO 417 N 8.37 0.00 0.00 4.34 0.11 -1.97 -3.26 132.00 139.59 3i89 h PRO 417 Ca -0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.97 3i89 h PRO 417 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3i89 h PRO 417 CO 0.19 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.07 3i89 n ASN 418 N -2.36 0.00 -4.65 -2.05 3.02 -1.26 -4.97 115.26 103.00 3i89 n ASN 418 Ca -0.01 0.02 -0.44 0.00 -0.03 0.00 0.00 54.58 54.12 3i89 n ASN 418 Cb 0.36 -0.01 -0.01 0.00 -0.61 0.00 0.00 39.78 39.50 3i89 n ASN 418 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 3i89 n ARG 419 N -0.54 1.75 0.00 3.52 1.85 -1.23 -4.85 116.66 117.15 3i89 n ARG 419 Ca 0.00 0.62 0.07 0.00 -1.00 0.00 0.00 57.85 57.54 3i89 n ARG 419 Cb 0.00 -2.11 0.42 0.00 -1.05 0.00 0.00 32.46 29.72 3i89 n ARG 419 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 3i89 n GLU 420 N 0.78 0.38 -3.68 2.89 -0.58 -1.26 -4.77 120.64 114.39 3i89 n GLU 420 Ca 0.08 0.05 -0.26 0.00 -0.42 0.00 0.00 57.16 56.61 3i89 n GLU 420 Cb 0.34 -1.50 -0.03 0.00 -0.57 0.00 0.00 31.44 29.68 3i89 n GLU 420 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 3i89 s THR 421 N -2.19 5.20 0.33 2.62 -4.23 -1.26 -4.81 115.64 111.29 3i89 s THR 421 Ca 0.20 -0.48 0.10 0.00 -1.18 0.00 0.00 61.69 60.32 3i89 s THR 421 Cb 0.10 -3.78 -0.06 0.00 1.34 0.00 0.00 72.50 70.11 3i89 s THR 421 CO 0.19 -0.27 -0.08 -0.31 -0.54 0.00 0.00 174.62 173.61 3i89 s TYR 422 N -1.97 2.44 0.00 3.99 1.51 -1.26 -4.50 117.35 117.56 3i89 s TYR 422 Ca 0.38 -0.43 0.00 0.00 -1.01 0.00 0.00 57.07 56.01 3i89 s TYR 422 Cb -0.10 -1.33 0.00 0.00 -0.11 0.00 0.00 41.96 40.42 3i89 s TYR 422 CO 0.30 0.58 0.00 -0.40 -1.11 0.00 0.00 175.55 174.92 3i89 n ASP 423 N -0.82 0.00 -4.31 2.29 3.85 0.16 -4.04 116.55 113.69 3i89 n ASP 423 Ca -0.05 -0.61 -0.24 0.00 -0.71 0.00 0.00 54.79 53.18 3i89 n ASP 423 Cb 0.62 0.00 -0.12 0.00 -1.35 0.00 0.00 41.12 40.27 3i89 n ASP 423 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.20 175.30 3i89 s THR 424 N 0.00 1.81 -0.27 2.12 2.01 0.02 0.12 115.64 121.45 3i89 s THR 424 Ca 0.00 -1.67 0.00 0.00 0.31 0.00 0.00 61.69 60.33 3i89 s THR 424 Cb 0.00 -1.69 0.08 0.00 0.01 0.00 0.00 72.50 70.90 3i89 s THR 424 CO 0.00 -0.11 0.04 -0.22 -0.69 0.00 0.00 174.62 173.64 3i89 s LEU 425 N -2.13 2.54 0.17 4.42 2.96 -0.75 -3.02 118.68 122.87 3i89 s LEU 425 Ca 0.10 -1.46 -0.25 0.00 -0.22 0.00 0.00 54.13 52.31 3i89 s LEU 425 Cb -0.09 -1.02 -0.08 0.00 0.50 0.00 0.00 46.19 45.50 3i89 s LEU 425 CO 0.05 -0.34 0.77 -0.69 -1.32 0.00 0.00 176.35 174.82 3i89 s VAL 426 N 1.49 4.40 -0.12 1.68 1.01 -1.24 -3.18 120.40 124.44 3i89 s VAL 426 Ca 0.04 1.65 -0.04 0.00 0.00 0.00 0.00 61.98 63.63 3i89 s VAL 426 Cb -0.18 -4.10 0.05 0.00 0.00 0.00 0.00 36.38 32.16 3i89 s VAL 426 CO -0.15 0.49 0.13 -1.48 0.00 0.00 0.00 175.10 174.09 3i89 s LEU 427 N -1.25 0.09 0.51 3.92 0.05 -1.21 -2.67 118.68 118.12 3i89 s LEU 427 Ca 0.36 -0.10 -0.21 0.00 0.05 0.00 0.00 54.13 54.24 3i89 s LEU 427 Cb -0.22 0.05 -0.09 0.00 -2.05 0.00 0.00 46.19 43.88 3i89 s LEU 427 CO 0.25 -0.29 0.84 -0.24 -0.55 0.00 0.00 176.35 176.36 3i89 n SER 428 N 5.30 0.38 -3.15 1.48 2.88 -1.17 -3.83 113.62 115.51 3i89 n SER 428 Ca -0.05 0.88 -0.17 0.00 -1.33 0.00 0.00 58.87 58.21 3i89 n SER 428 Cb 0.50 -1.30 -0.05 0.00 -0.75 0.00 0.00 64.21 62.61 3i89 n SER 428 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 3i89 s PHE 429 N -1.47 1.29 0.00 0.66 2.19 -1.15 -0.34 117.98 119.17 3i89 s PHE 429 Ca 0.68 -1.43 -0.09 0.00 0.33 0.00 0.00 56.93 56.42 3i89 s PHE 429 Cb -0.49 -0.24 -0.11 0.00 -1.31 0.00 0.00 43.02 40.87 3i89 s PHE 429 CO 0.53 -1.11 1.00 0.28 1.83 0.00 0.00 175.22 177.75 3i89 n VAL 430 N -0.61 0.00 -2.02 3.12 0.31 -1.26 -2.91 118.33 114.95 3i89 n VAL 430 Ca 0.03 -0.04 -0.09 0.00 -0.01 0.00 0.00 64.34 64.22 3i89 n VAL 430 Cb 0.61 -1.32 -0.01 0.00 -0.91 0.00 0.00 33.84 32.21 3i89 n VAL 430 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3i89 n GLY 431 N 4.05 0.17 0.00 2.92 0.00 -1.26 -5.02 105.19 106.05 3i89 n GLY 431 Ca 0.14 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.65 3i89 n GLY 431 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3i89 n GLN 432 N -2.05 0.01 -3.67 1.61 6.02 -1.15 -4.34 117.38 113.81 3i89 n GLN 432 Ca -0.11 0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 56.80 3i89 n GLN 432 Cb 0.54 0.00 -0.09 0.00 1.02 0.00 0.00 30.24 31.71 3i89 n GLN 432 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3i89 s THR 433 N -1.79 -0.24 0.41 5.09 2.01 -0.27 -2.92 115.64 117.94 3i89 s THR 433 Ca 0.00 0.07 0.08 0.00 0.31 0.00 0.00 61.69 62.15 3i89 s THR 433 Cb 0.00 -0.78 -0.03 0.00 0.01 0.00 0.00 72.50 71.70 3i89 s THR 433 CO 0.00 0.03 0.31 -0.13 -0.69 0.00 0.00 174.62 174.14 3i89 s ARG 434 N 1.86 2.45 0.20 4.92 1.81 -1.25 -4.44 118.95 124.50 3i89 s ARG 434 Ca -0.08 -1.61 0.06 0.00 -1.72 0.00 0.00 55.73 52.37 3i89 s ARG 434 Cb -0.08 -2.26 -0.05 0.00 -0.45 0.00 0.00 34.95 32.10 3i89 s ARG 434 CO -0.16 -0.15 -0.09 0.08 -0.68 0.00 0.00 175.30 174.31 3i89 s VAL 435 N -2.50 1.39 -0.39 3.52 1.01 -1.26 -3.34 120.40 118.83 3i89 s VAL 435 Ca 0.46 -2.11 0.02 0.00 0.00 0.00 0.00 61.98 60.35 3i89 s VAL 435 Cb -0.01 -2.11 0.16 0.00 0.00 0.00 0.00 36.38 34.41 3i89 s VAL 435 CO 0.26 -0.54 0.32 -0.76 0.00 0.00 0.00 175.10 174.38 3i89 s LEU 436 N -3.29 0.78 0.56 3.92 1.43 -1.19 -4.01 118.68 116.88 3i89 s LEU 436 Ca 0.23 -2.36 -0.19 0.00 -1.03 0.00 0.00 54.13 50.77 3i89 s LEU 436 Cb 0.02 -0.09 -0.05 0.00 0.03 0.00 0.00 46.19 46.10 3i89 s LEU 436 CO 0.06 -0.23 1.17 -0.04 0.23 0.00 0.00 176.35 177.53 3i89 s MET 437 N 0.77 3.23 -0.03 1.70 -1.94 0.01 -1.80 119.30 121.23 3i89 s MET 437 Ca 0.24 1.71 0.03 0.00 -1.71 0.00 0.00 55.69 55.96 3i89 s MET 437 Cb -0.11 -2.00 0.00 0.00 2.01 0.00 0.00 34.83 34.73 3i89 s MET 437 CO -0.07 -0.97 -0.11 -0.51 -0.01 0.00 0.00 175.02 173.34 3i89 s LEU 438 N -3.85 1.80 0.00 -0.03 1.43 0.12 -2.71 118.68 115.43 3i89 s LEU 438 Ca 0.74 -0.23 0.00 0.00 -1.03 0.00 0.00 54.13 53.61 3i89 s LEU 438 Cb -0.27 -0.66 0.00 0.00 0.03 0.00 0.00 46.19 45.29 3i89 s LEU 438 CO 0.30 0.08 0.45 -3.20 0.23 0.00 0.00 176.35 174.21 3i89 n ASN 439 N 3.30 0.05 0.00 2.29 4.05 -1.18 -4.83 115.26 118.94 3i89 n ASN 439 Ca -0.19 -0.95 0.00 0.00 0.45 0.00 0.00 54.58 53.90 3i89 n ASN 439 Cb 0.54 -0.03 0.00 0.00 1.23 0.00 0.00 39.78 41.52 3i89 n ASN 439 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3i89 n GLY 440 N 0.01 2.32 0.32 8.20 0.00 -1.26 -4.62 105.19 110.16 3i89 n GLY 440 Ca 0.00 -0.77 0.07 0.00 0.00 0.00 0.00 46.02 45.33 3i89 n GLY 440 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3i89 n GLU 441 N 0.00 1.77 -4.03 1.61 -0.00 -1.25 -4.36 120.64 114.38 3i89 n GLU 441 Ca 0.00 -0.73 -0.35 0.00 -0.00 0.00 0.00 57.16 56.08 3i89 n GLU 441 Cb 0.00 -1.24 -0.07 0.00 -0.00 0.00 0.00 31.44 30.13 3i89 n GLU 441 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.13 175.13 3i89 s GLU 442 N -1.84 3.26 0.02 3.44 2.12 -1.26 -5.00 118.70 119.44 3i89 s GLU 442 Ca 0.12 -0.32 -0.28 0.00 0.36 0.00 0.00 54.97 54.85 3i89 s GLU 442 Cb 0.12 -3.01 -0.04 0.00 0.26 0.00 0.00 34.13 31.46 3i89 s GLU 442 CO 0.39 0.71 0.89 0.08 -0.54 0.00 0.00 175.26 176.78 3i89 s VAL 443 N -1.12 4.80 -0.28 3.70 1.01 -1.26 -3.09 120.40 124.15 3i89 s VAL 443 Ca 0.20 1.88 -0.19 0.00 0.00 0.00 0.00 61.98 63.86 3i89 s VAL 443 Cb -0.12 -4.23 0.08 0.00 0.00 0.00 0.00 36.38 32.11 3i89 s VAL 443 CO 0.10 0.25 0.74 -0.70 0.00 0.00 0.00 175.10 175.48 3i89 s GLU 444 N 0.56 0.72 -0.19 2.72 2.12 -1.10 -4.97 118.70 118.56 3i89 s GLU 444 Ca 0.46 1.09 -0.01 0.00 0.36 0.00 0.00 54.97 56.86 3i89 s GLU 444 Cb -0.21 0.23 0.00 0.00 0.26 0.00 0.00 34.13 34.41 3i89 s GLU 444 CO 0.26 -0.12 -0.12 -1.83 -0.54 0.00 0.00 175.26 172.90 3i89 s GLU 445 N 1.15 3.22 0.00 4.30 -1.05 -1.26 -0.81 118.70 124.25 3i89 s GLU 445 Ca -0.06 -0.72 0.00 0.00 -0.15 0.00 0.00 54.97 54.04 3i89 s GLU 445 Cb -0.05 -2.77 0.00 0.00 -0.44 0.00 0.00 34.13 30.87 3i89 s GLU 445 CO -0.12 -0.14 0.00 0.25 0.95 0.00 0.00 175.26 176.20 3i89 n THR 446 N 4.52 0.00 -3.55 1.83 -2.24 -1.26 -4.96 114.28 108.63 3i89 n THR 446 Ca -0.19 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.43 3i89 n THR 446 Cb 0.51 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.68 3i89 n THR 446 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 3i89 s GLU 447 N 2.92 1.04 -0.01 -0.78 -1.05 -1.26 -4.52 118.70 115.04 3i89 s GLU 447 Ca 0.00 0.02 -0.01 0.00 -0.15 0.00 0.00 54.97 54.83 3i89 s GLU 447 Cb 0.00 0.48 0.01 0.00 -0.44 0.00 0.00 34.13 34.18 3i89 s GLU 447 CO 0.00 -0.35 0.02 -0.51 0.95 0.00 0.00 175.26 175.37 3i89 s LEU 448 N -1.56 1.70 0.46 1.83 1.02 -1.26 -5.08 118.68 115.80 3i89 s LEU 448 Ca -0.09 0.04 -0.24 0.00 0.02 0.00 0.00 54.13 53.87 3i89 s LEU 448 Cb -0.01 0.04 -0.08 0.00 0.02 0.00 0.00 46.19 46.16 3i89 s LEU 448 CO 0.04 -0.04 1.29 1.15 0.02 0.00 0.00 176.35 178.81 3i89 n MET 449 N 3.36 1.86 -1.72 1.70 -0.00 -1.26 -2.55 117.12 118.50 3i89 n MET 449 Ca -0.16 0.67 -0.17 0.00 -0.00 0.00 0.00 57.70 58.04 3i89 n MET 449 Cb 0.57 -2.44 -0.05 0.00 -0.00 0.00 0.00 33.22 31.30 3i89 n MET 449 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3i89 n GLY 450 N 0.80 1.10 2.80 3.17 0.00 -1.26 -4.76 105.19 107.04 3i89 n GLY 450 Ca 0.08 -0.21 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 3i89 n GLY 450 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i89 s PHE 451 N -2.68 2.22 0.70 1.61 0.40 -1.06 -4.56 117.98 114.61 3i89 s PHE 451 Ca 0.00 -2.11 -0.16 0.00 -0.60 0.00 0.00 56.93 54.06 3i89 s PHE 451 Cb 0.00 -2.02 -0.01 0.00 0.51 0.00 0.00 43.02 41.50 3i89 s PHE 451 CO 0.00 -0.88 0.87 1.33 0.70 0.00 0.00 175.22 177.23 3i89 n VAL 452 N 4.56 2.75 -0.05 -0.44 0.24 -1.26 -4.72 118.33 119.41 3i89 n VAL 452 Ca 0.01 -0.40 -0.07 0.00 -2.04 0.00 0.00 64.34 61.83 3i89 n VAL 452 Cb 0.41 -1.02 -0.06 0.00 -1.47 0.00 0.00 33.84 31.70 3i89 n VAL 452 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 3i89 n ASP 453 N -1.21 3.02 -0.01 -1.34 5.68 -1.26 -4.54 116.55 116.90 3i89 n ASP 453 Ca 0.13 -0.05 0.11 0.00 -0.50 0.00 0.00 54.79 54.48 3i89 n ASP 453 Cb 0.49 0.04 0.14 0.00 -1.14 0.00 0.00 41.12 40.65 3i89 n ASP 453 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3i89 n ASP 454 N -2.71 0.67 -4.75 -1.12 3.85 -1.26 -1.11 116.55 110.11 3i89 n ASP 454 Ca -0.19 -0.49 -0.36 0.00 -0.71 0.00 0.00 54.79 53.04 3i89 n ASP 454 Cb 0.74 0.48 -0.08 0.00 -1.35 0.00 0.00 41.12 40.91 3i89 n ASP 454 CO 0.00 0.00 0.00 -1.10 -1.01 0.00 0.00 177.20 175.09 3i89 s GLN 455 N -2.99 4.08 -0.49 0.11 -1.52 -1.26 -4.48 119.66 113.12 3i89 s GLN 455 Ca 0.10 -0.16 -0.29 0.00 -1.95 0.00 0.00 55.36 53.07 3i89 s GLN 455 Cb 0.17 -3.38 0.02 0.00 -0.22 0.00 0.00 33.01 29.60 3i89 s GLN 455 CO 0.75 0.37 1.27 -1.14 -0.25 0.00 0.00 175.29 176.29 3i89 s GLN 456 N 0.15 3.58 0.25 2.91 0.74 -1.25 -3.84 119.66 122.21 3i89 s GLN 456 Ca 0.10 0.62 -0.30 0.00 0.05 0.00 0.00 55.36 55.83 3i89 s GLN 456 Cb -0.11 -3.99 -0.10 0.00 1.10 0.00 0.00 33.01 29.90 3i89 s GLN 456 CO -0.00 -1.57 1.50 0.99 -0.55 0.00 0.00 175.29 175.66 3i89 s THR 457 N 5.07 2.47 -1.48 -0.34 2.01 -1.24 -3.28 115.64 118.85 3i89 s THR 457 Ca 0.52 0.39 0.13 0.00 0.31 0.00 0.00 61.69 63.05 3i89 s THR 457 Cb -0.10 -3.25 0.06 0.00 0.01 0.00 0.00 72.50 69.22 3i89 s THR 457 CO 0.30 0.06 0.85 0.49 -0.69 0.00 0.00 174.62 175.63 3i89 n PHE 458 N 2.44 0.00 0.00 4.92 3.72 0.26 -4.21 117.46 124.59 3i89 n PHE 458 Ca 0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.48 3i89 n PHE 458 Cb 0.39 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.93 3i89 n PHE 458 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3i89 n PHE 459 N 0.34 0.00 -1.99 1.38 7.35 -1.19 -4.83 117.46 118.52 3i89 n PHE 459 Ca 0.07 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.76 3i89 n PHE 459 Cb 0.31 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.14 3i89 n PHE 459 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3i89 n GLY 461 N 0.00 -3.73 3.44 0.00 0.00 -1.26 -4.69 105.19 98.94 3i89 n GLY 461 Ca 0.00 -0.54 -0.44 0.00 0.00 0.00 0.00 46.02 45.04 3i89 n GLY 461 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i89 s ASN 462 N -1.12 7.11 0.05 1.61 -0.87 -1.26 -4.43 114.94 116.03 3i89 s ASN 462 Ca 0.41 -3.08 -0.31 0.00 -1.57 0.00 0.00 52.86 48.31 3i89 s ASN 462 Cb -0.07 -2.37 -0.06 0.00 -0.02 0.00 0.00 41.25 38.72 3i89 s ASN 462 CO 0.75 -0.68 1.37 0.68 -2.57 0.00 0.00 177.10 176.65 3i89 s VAL 463 N 1.14 3.58 1.42 1.60 -7.23 -1.26 -4.54 120.40 115.11 3i89 s VAL 463 Ca 0.41 1.07 -0.23 0.00 -1.81 0.00 0.00 61.98 61.42 3i89 s VAL 463 Cb -0.04 -3.69 0.36 0.00 0.56 0.00 0.00 36.38 33.58 3i89 s VAL 463 CO -0.01 0.04 0.94 0.00 -0.31 0.00 0.00 175.10 175.76 3i89 s ALA 464 N 1.72 -0.63 -0.30 1.32 0.00 -0.76 -3.90 121.76 119.21 3i89 s ALA 464 Ca 0.64 -0.86 -0.00 0.00 0.00 0.00 0.00 51.96 51.74 3i89 s ALA 464 Cb -0.33 -2.92 0.00 0.00 0.00 0.00 0.00 23.12 19.86 3i89 s ALA 464 CO 0.28 -4.55 0.02 0.72 0.00 0.00 0.00 175.76 172.24 3i89 n HIS 465 N -5.60 -0.21 -3.70 0.00 8.25 -1.26 -4.13 115.22 108.57 3i89 n HIS 465 Ca 0.13 0.02 -0.26 0.00 -0.26 0.00 0.00 57.72 57.36 3i89 n HIS 465 Cb 0.60 -1.54 0.06 0.00 1.12 0.00 0.00 29.99 30.24 3i89 n HIS 465 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3i89 n GLN 466 N -1.34 -7.00 -4.07 -0.41 6.02 -1.26 -4.73 117.38 104.59 3i89 n GLN 466 Ca -0.04 0.75 -0.10 0.00 -0.01 0.00 0.00 57.00 57.60 3i89 n GLN 466 Cb 0.53 -5.73 -0.11 0.00 1.02 0.00 0.00 30.24 25.95 3i89 n GLN 466 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 3i89 s GLN 467 N -6.35 0.57 -0.10 -1.09 -2.07 -1.25 -1.49 119.66 107.87 3i89 s GLN 467 Ca 0.56 -0.99 -0.01 0.00 -1.82 0.00 0.00 55.36 53.10 3i89 s GLN 467 Cb -0.26 -0.02 -0.03 0.00 -1.09 0.00 0.00 33.01 31.61 3i89 s GLN 467 CO 0.77 -0.04 -0.06 -0.51 -1.32 0.00 0.00 175.29 174.13 3i89 s LEU 468 N -2.28 3.20 -0.07 2.60 1.43 0.14 -4.27 118.68 119.43 3i89 s LEU 468 Ca -0.02 -0.06 0.04 0.00 -1.03 0.00 0.00 54.13 53.06 3i89 s LEU 468 Cb -0.01 -1.73 -0.02 0.00 0.03 0.00 0.00 46.19 44.46 3i89 s LEU 468 CO -0.04 0.29 -0.17 -0.51 0.23 0.00 0.00 176.35 176.14 3i89 s ILE 469 N -0.35 2.77 -0.22 -0.59 -1.16 -1.26 -0.56 121.20 119.83 3i89 s ILE 469 Ca 0.05 -0.81 -0.02 0.00 -0.51 0.00 0.00 60.65 59.36 3i89 s ILE 469 Cb -0.12 -2.08 0.07 0.00 0.61 0.00 0.00 42.46 40.93 3i89 s ILE 469 CO 0.02 0.57 0.04 -1.58 -2.81 0.00 0.00 174.94 171.18 3i89 s GLN 470 N -0.36 0.77 -0.18 3.50 0.74 -1.24 -4.27 119.66 118.63 3i89 s GLN 470 Ca 0.03 -0.62 -0.22 0.00 0.05 0.00 0.00 55.36 54.60 3i89 s GLN 470 Cb -0.12 -2.12 -0.02 0.00 1.10 0.00 0.00 33.01 31.84 3i89 s GLN 470 CO 0.02 -0.71 0.68 0.42 -0.55 0.00 0.00 175.29 175.15 3i89 s ILE 471 N 1.76 4.99 0.34 -2.34 1.01 -1.19 -0.49 121.20 125.28 3i89 s ILE 471 Ca 0.01 1.30 0.02 0.00 0.00 0.00 0.00 60.65 61.98 3i89 s ILE 471 Cb -0.17 -3.99 0.02 0.00 0.01 0.00 0.00 42.46 38.32 3i89 s ILE 471 CO -0.12 0.10 0.14 1.07 0.00 0.00 0.00 174.94 176.13 3i89 n THR 472 N 4.63 0.00 0.14 2.92 5.66 -0.17 0.92 114.28 128.37 3i89 n THR 472 Ca -0.00 -1.44 -0.13 0.00 -3.05 0.00 0.00 64.05 59.42 3i89 n THR 472 Cb 0.50 0.03 -0.06 0.00 -1.55 0.00 0.00 70.33 69.24 3i89 n THR 472 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 3i89 h SER 473 N 0.58 -0.49 0.00 1.09 0.02 -1.85 -3.37 113.55 109.53 3i89 h SER 473 Ca -0.24 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 3i89 h SER 473 Cb 0.81 0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.52 3i89 h SER 473 CO 0.39 -0.27 0.00 0.00 -1.14 0.00 0.00 176.83 175.81 3i89 n ALA 474 N -2.42 -0.15 -2.61 3.77 0.00 -1.26 -0.63 120.51 117.21 3i89 n ALA 474 Ca -0.08 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.10 3i89 n ALA 474 Cb 0.22 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.59 3i89 n ALA 474 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3i89 s SER 475 N -2.42 4.47 -0.84 0.00 1.04 -1.26 -4.52 113.70 110.17 3i89 s SER 475 Ca 0.00 -0.50 -0.15 0.00 0.48 0.00 0.00 55.95 55.78 3i89 s SER 475 Cb 0.00 -0.84 0.20 0.00 0.10 0.00 0.00 66.02 65.47 3i89 s SER 475 CO 0.00 0.10 0.83 0.54 0.98 0.00 0.00 173.24 175.69 3i89 s VAL 476 N -1.72 5.42 1.03 5.02 0.11 -0.57 -1.00 120.40 128.68 3i89 s VAL 476 Ca 0.26 -2.24 -0.14 0.00 -2.93 0.00 0.00 61.98 56.92 3i89 s VAL 476 Cb -0.09 -4.53 0.21 0.00 -1.53 0.00 0.00 36.38 30.44 3i89 s VAL 476 CO 0.17 -1.12 1.12 -0.13 -3.33 0.00 0.00 175.10 171.80 3i89 s ARG 477 N 0.75 0.13 -0.10 1.54 0.52 0.35 -1.99 118.95 120.15 3i89 s ARG 477 Ca 0.20 0.25 -0.08 0.00 -0.52 0.00 0.00 55.73 55.58 3i89 s ARG 477 Cb -0.10 -1.73 0.03 0.00 0.52 0.00 0.00 34.95 33.68 3i89 s ARG 477 CO -0.08 -2.87 0.27 -1.17 0.02 0.00 0.00 175.30 171.46 3i89 s LEU 478 N -6.47 0.83 0.13 2.53 2.96 -0.88 -3.60 118.68 114.18 3i89 s LEU 478 Ca 0.67 0.55 -0.00 0.00 -0.22 0.00 0.00 54.13 55.12 3i89 s LEU 478 Cb -0.15 0.90 -0.04 0.00 0.50 0.00 0.00 46.19 47.40 3i89 s LEU 478 CO 0.56 -0.11 0.03 -0.69 -1.32 0.00 0.00 176.35 174.82 3i89 s VAL 479 N 0.41 0.27 0.42 1.68 1.01 0.28 -2.56 120.40 121.92 3i89 s VAL 479 Ca -0.02 -1.91 0.05 0.00 0.00 0.00 0.00 61.98 60.09 3i89 s VAL 479 Cb -0.04 -1.98 -0.05 0.00 0.00 0.00 0.00 36.38 34.31 3i89 s VAL 479 CO -0.02 -0.56 0.03 -0.44 0.00 0.00 0.00 175.10 174.11 3i89 s SER 480 N -3.06 3.60 -0.16 3.32 0.01 -1.26 0.27 113.70 116.42 3i89 s SER 480 Ca 0.21 -1.48 -0.09 0.00 1.31 0.00 0.00 55.95 55.91 3i89 s SER 480 Cb 0.07 -0.01 -0.23 0.00 0.21 0.00 0.00 66.02 66.05 3i89 s SER 480 CO 0.00 -0.63 0.25 0.00 0.41 0.00 0.00 173.24 173.27 3i89 n GLN 481 N -1.00 0.70 0.00 12.44 1.13 -0.56 -3.45 117.38 126.65 3i89 n GLN 481 Ca -0.09 0.31 0.00 0.00 -1.94 0.00 0.00 57.00 55.29 3i89 n GLN 481 Cb 0.67 -1.69 0.00 0.00 0.11 0.00 0.00 30.24 29.33 3i89 n GLN 481 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 3i89 n GLU 482 N -3.68 0.00 0.04 -1.09 -0.58 -1.26 -4.52 120.64 109.56 3i89 n GLU 482 Ca -0.34 0.00 -0.11 0.00 -0.42 0.00 0.00 57.16 56.29 3i89 n GLU 482 Cb 0.96 -0.51 -0.04 0.00 -0.57 0.00 0.00 31.44 31.29 3i89 n GLU 482 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 3i89 h PRO 483 N 0.00 -0.24 -5.11 3.49 0.11 -1.92 -3.48 132.00 124.86 3i89 h PRO 483 Ca 0.00 0.02 -0.26 0.00 0.11 0.00 0.00 66.00 65.87 3i89 h PRO 483 Cb 0.00 0.05 0.15 0.00 0.11 0.00 0.00 31.00 31.32 3i89 h PRO 483 CO 0.00 -0.16 -0.68 1.17 -0.21 0.00 0.00 178.00 178.12 3i89 n LYS 484 N -5.29 -4.51 0.00 1.05 3.00 -1.22 -4.87 118.16 106.32 3i89 n LYS 484 Ca -0.05 0.73 0.00 0.00 -0.00 0.00 0.00 58.31 59.00 3i89 n LYS 484 Cb 0.21 -5.33 0.00 0.00 0.00 0.00 0.00 35.03 29.91 3i89 n LYS 484 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3i89 n ALA 485 N -3.46 0.00 -1.81 3.14 0.00 -1.26 -4.75 120.51 112.37 3i89 n ALA 485 Ca -0.19 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.87 3i89 n ALA 485 Cb 0.63 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.06 3i89 n ALA 485 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3i89 n LEU 486 N 0.00 7.91 -0.29 0.00 7.94 -1.26 -4.05 117.00 127.24 3i89 n LEU 486 Ca 0.00 -4.68 0.05 0.00 -1.11 0.00 0.00 56.01 50.27 3i89 n LEU 486 Cb 0.00 -1.38 0.19 0.00 0.53 0.00 0.00 43.42 42.77 3i89 n LEU 486 CO 0.00 2.02 1.12 0.58 -1.11 0.00 0.00 177.39 180.00 3i89 h VAL 487 N 2.57 0.82 -2.42 1.96 2.07 -1.84 -3.45 116.25 115.96 3i89 h VAL 487 Ca 0.68 -0.24 -0.02 0.00 0.82 0.00 0.00 66.70 67.94 3i89 h VAL 487 Cb 0.38 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.21 3i89 h VAL 487 CO 1.42 0.13 0.10 -0.24 0.02 0.00 0.00 177.57 179.00 3i89 n SER 488 N -4.81 -0.91 0.00 0.57 2.88 -1.22 -4.61 113.62 105.52 3i89 n SER 488 Ca 0.15 -1.65 0.00 0.00 -1.33 0.00 0.00 58.87 56.05 3i89 n SER 488 Cb 0.35 1.52 0.00 0.00 -0.75 0.00 0.00 64.21 65.33 3i89 n SER 488 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 3i89 n GLU 489 N -0.22 0.00 -3.83 -1.46 2.13 -1.26 -2.07 120.64 113.94 3i89 n GLU 489 Ca -0.03 0.00 -0.36 0.00 0.66 0.00 0.00 57.16 57.43 3i89 n GLU 489 Cb 0.24 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 31.85 3i89 n GLU 489 CO 0.00 0.00 0.00 -0.46 -0.41 0.00 0.00 177.13 176.26 3i89 s TRP 490 N 0.00 3.25 -0.04 4.31 -0.00 -0.84 -4.98 118.94 120.64 3i89 s TRP 490 Ca 0.00 0.06 0.07 0.00 -0.00 0.00 0.00 56.10 56.23 3i89 s TRP 490 Cb 0.00 -2.18 -0.01 0.00 -0.00 0.00 0.00 33.47 31.28 3i89 s TRP 490 CO 0.00 0.04 -0.25 0.21 -0.00 0.00 0.00 176.95 176.95 3i89 s LYS 491 N 0.83 2.35 0.02 5.86 2.47 -1.26 -1.52 119.74 128.49 3i89 s LYS 491 Ca 0.05 -0.91 -0.30 0.00 -1.56 0.00 0.00 55.97 53.25 3i89 s LYS 491 Cb -0.13 -2.09 -0.06 0.00 -1.46 0.00 0.00 37.83 34.08 3i89 s LYS 491 CO 0.02 0.45 1.51 -2.00 0.16 0.00 0.00 175.35 175.50 3i89 s GLU 492 N -0.34 4.24 -1.11 4.03 -6.30 -1.26 -4.88 118.70 113.08 3i89 s GLU 492 Ca 0.02 2.12 -0.24 0.00 -2.50 0.00 0.00 54.97 54.37 3i89 s GLU 492 Cb -0.12 -3.62 -0.11 0.00 0.00 0.00 0.00 34.13 30.29 3i89 s GLU 492 CO 0.02 -0.66 1.98 -1.25 0.02 0.00 0.00 175.26 175.37 3i89 s PRO 493 N 2.63 2.25 0.00 4.30 0.04 -1.26 -1.42 135.00 141.53 3i89 s PRO 493 Ca 0.68 -0.86 0.00 0.00 0.04 0.00 0.00 61.00 60.86 3i89 s PRO 493 Cb -0.35 -5.16 0.00 0.00 0.04 0.00 0.00 34.50 29.04 3i89 s PRO 493 CO 0.29 -4.18 0.00 1.04 0.04 0.00 0.00 177.00 174.19 3i89 n GLN 494 N 8.37 0.00 -2.70 4.56 1.13 -1.26 -4.96 117.38 122.52 3i89 n GLN 494 Ca 0.44 0.00 -0.09 0.00 -1.94 0.00 0.00 57.00 55.40 3i89 n GLN 494 Cb 0.47 0.00 0.05 0.00 0.11 0.00 0.00 30.24 30.86 3i89 n GLN 494 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3i89 n ALA 495 N 0.00 -1.34 -2.72 -1.58 0.00 -0.51 -5.07 120.51 109.29 3i89 n ALA 495 Ca 0.00 0.01 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 3i89 n ALA 495 Cb 0.00 -2.33 -0.16 0.00 0.00 0.00 0.00 19.45 16.96 3i89 n ALA 495 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3i89 s LYS 496 N -4.41 2.06 0.46 0.00 1.02 -1.26 -5.09 119.74 112.51 3i89 s LYS 496 Ca 0.10 -0.76 -0.23 0.00 0.02 0.00 0.00 55.97 55.10 3i89 s LYS 496 Cb -0.01 -1.81 -0.08 0.00 -0.52 0.00 0.00 37.83 35.41 3i89 s LYS 496 CO 0.42 0.35 1.14 -0.80 -0.92 0.00 0.00 175.35 175.54 3i89 s ASN 497 N -0.17 6.24 0.16 2.83 0.01 -1.26 -4.66 114.94 118.08 3i89 s ASN 497 Ca -0.01 2.25 -0.30 0.00 -0.71 0.00 0.00 52.86 54.09 3i89 s ASN 497 Cb -0.12 -2.60 -0.07 0.00 0.41 0.00 0.00 41.25 38.87 3i89 s ASN 497 CO 0.02 -0.87 1.16 -0.63 -1.51 0.00 0.00 177.10 175.27 3i89 s ILE 498 N -1.59 3.75 -0.17 0.60 1.01 0.20 -4.65 121.20 120.36 3i89 s ILE 498 Ca 0.63 1.45 -0.15 0.00 0.00 0.00 0.00 60.65 62.58 3i89 s ILE 498 Cb -0.27 -3.93 -0.06 0.00 0.01 0.00 0.00 42.46 38.22 3i89 s ILE 498 CO 0.33 0.22 -0.29 -1.54 0.00 0.00 0.00 174.94 173.66 3i89 n SER 499 N 2.68 1.90 -4.51 3.58 3.41 0.75 -4.77 113.62 116.67 3i89 n SER 499 Ca 0.04 0.42 -0.32 0.00 -0.26 0.00 0.00 58.87 58.76 3i89 n SER 499 Cb 0.45 -0.79 -0.12 0.00 -0.26 0.00 0.00 64.21 63.50 3i89 n SER 499 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3i89 s VAL 500 N -2.68 3.14 0.49 -3.33 1.01 -1.10 -4.99 120.40 112.95 3i89 s VAL 500 Ca -0.25 -0.94 0.05 0.00 0.00 0.00 0.00 61.98 60.84 3i89 s VAL 500 Cb 0.04 -2.32 -0.00 0.00 0.00 0.00 0.00 36.38 34.10 3i89 s VAL 500 CO 0.37 0.42 0.27 0.00 0.00 0.00 0.00 175.10 176.16 3i89 s ALA 501 N -0.90 4.10 0.00 5.51 0.00 -1.26 -0.84 121.76 128.37 3i89 s ALA 501 Ca 0.15 -1.41 0.00 0.00 0.00 0.00 0.00 51.96 50.70 3i89 s ALA 501 Cb -0.11 -0.52 0.00 0.00 0.00 0.00 0.00 23.12 22.50 3i89 s ALA 501 CO 0.05 -0.27 0.00 0.43 0.00 0.00 0.00 175.76 175.96 3i89 n SER 502 N -1.51 0.00 -4.43 0.00 7.64 -1.08 -4.67 113.62 109.57 3i89 n SER 502 Ca -0.04 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.53 3i89 n SER 502 Cb 0.65 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.71 3i89 n SER 502 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i89 s ASN 504 N -1.24 3.41 0.00 0.00 3.84 0.18 -4.91 114.94 116.22 3i89 s ASN 504 Ca 0.13 -1.19 0.00 0.00 0.21 0.00 0.00 52.86 52.01 3i89 s ASN 504 Cb -0.10 -0.29 0.00 0.00 -0.55 0.00 0.00 41.25 40.31 3i89 s ASN 504 CO 0.04 -0.24 0.32 -0.24 -2.79 0.00 0.00 177.10 174.19 3i89 n SER 505 N -0.72 0.64 0.00 -4.21 2.88 -1.26 -3.77 113.62 107.18 3i89 n SER 505 Ca -0.05 -1.29 0.00 0.00 -1.33 0.00 0.00 58.87 56.20 3i89 n SER 505 Cb 0.63 -0.32 0.00 0.00 -0.75 0.00 0.00 64.21 63.77 3i89 n SER 505 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 3i89 n SER 506 N 0.18 0.00 -5.00 -3.46 7.64 -1.26 -1.83 113.62 109.89 3i89 n SER 506 Ca 0.00 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.70 3i89 n SER 506 Cb 0.16 0.29 0.02 0.00 -1.01 0.00 0.00 64.21 63.67 3i89 n SER 506 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 3i89 s GLN 507 N -1.60 2.77 -0.08 1.43 -0.21 -1.25 -3.70 119.66 117.02 3i89 s GLN 507 Ca 0.00 -1.09 -0.03 0.00 0.02 0.00 0.00 55.36 54.26 3i89 s GLN 507 Cb 0.00 -2.69 0.04 0.00 1.00 0.00 0.00 33.01 31.37 3i89 s GLN 507 CO 0.00 -0.38 0.16 0.08 -2.12 0.00 0.00 175.29 173.03 3i89 s VAL 508 N -2.46 -0.17 -0.23 1.09 1.01 -1.07 -0.65 120.40 117.92 3i89 s VAL 508 Ca 0.55 0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.81 3i89 s VAL 508 Cb -0.10 -0.27 0.06 0.00 0.00 0.00 0.00 36.38 36.06 3i89 s VAL 508 CO 0.34 0.11 -0.05 -0.69 0.00 0.00 0.00 175.10 174.82 3i89 s VAL 509 N 1.80 1.46 0.62 2.92 1.01 0.78 -2.07 120.40 126.92 3i89 s VAL 509 Ca -0.02 -1.17 0.07 0.00 0.00 0.00 0.00 61.98 60.85 3i89 s VAL 509 Cb -0.12 -1.74 0.11 0.00 0.00 0.00 0.00 36.38 34.63 3i89 s VAL 509 CO -0.06 -0.11 0.86 1.33 0.00 0.00 0.00 175.10 177.12 3i89 n VAL 510 N 4.70 0.00 -3.75 2.92 0.24 -1.26 -2.64 118.33 118.54 3i89 n VAL 510 Ca -0.12 -1.81 -0.13 0.00 -2.04 0.00 0.00 64.34 60.24 3i89 n VAL 510 Cb 0.44 -0.64 -0.10 0.00 -1.47 0.00 0.00 33.84 32.07 3i89 n VAL 510 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i89 s ALA 511 N -2.85 -0.87 -1.58 2.33 0.00 -0.02 -3.88 121.76 114.90 3i89 s ALA 511 Ca 0.62 0.86 0.13 0.00 0.00 0.00 0.00 51.96 53.57 3i89 s ALA 511 Cb -0.04 -0.43 0.10 0.00 0.00 0.00 0.00 23.12 22.75 3i89 s ALA 511 CO 0.40 -0.19 0.91 0.28 0.00 0.00 0.00 175.76 177.16 3i89 n VAL 512 N 2.51 0.01 0.00 0.00 0.31 -0.16 -0.18 118.33 120.83 3i89 n VAL 512 Ca -0.15 -0.51 0.00 0.00 -0.01 0.00 0.00 64.34 63.67 3i89 n VAL 512 Cb 0.57 1.25 0.00 0.00 -0.91 0.00 0.00 33.84 34.76 3i89 n VAL 512 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3i89 n GLY 513 N 0.71 0.19 0.03 2.92 0.00 -1.26 -4.68 105.19 103.10 3i89 n GLY 513 Ca 0.07 -0.02 0.04 0.00 0.00 0.00 0.00 46.02 46.11 3i89 n GLY 513 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i89 n ARG 514 N 0.00 3.94 -2.61 1.61 1.74 -1.26 0.42 116.66 120.50 3i89 n ARG 514 Ca 0.00 -0.10 -0.41 0.00 -0.77 0.00 0.00 57.85 56.57 3i89 n ARG 514 Cb 0.00 -0.91 -0.04 0.00 -1.02 0.00 0.00 32.46 30.49 3i89 n ARG 514 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i89 s ALA 515 N -1.68 3.31 -0.17 7.54 0.00 -1.26 -0.69 121.76 128.81 3i89 s ALA 515 Ca 0.04 0.71 -0.02 0.00 0.00 0.00 0.00 51.96 52.68 3i89 s ALA 515 Cb 0.06 -3.32 0.05 0.00 0.00 0.00 0.00 23.12 19.91 3i89 s ALA 515 CO 0.31 -0.14 0.01 -0.51 0.00 0.00 0.00 175.76 175.44 3i89 s LEU 516 N -0.11 1.24 0.00 0.00 1.43 0.75 -0.99 118.68 121.01 3i89 s LEU 516 Ca 0.49 -0.70 0.00 0.00 -1.03 0.00 0.00 54.13 52.89 3i89 s LEU 516 Cb -0.27 -0.66 0.00 0.00 0.03 0.00 0.00 46.19 45.30 3i89 s LEU 516 CO 0.32 -0.26 0.00 -1.22 0.23 0.00 0.00 176.35 175.42 3i89 n TYR 517 N 5.01 0.00 0.00 0.29 4.02 -1.25 -1.89 117.16 123.35 3i89 n TYR 517 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.80 3i89 n TYR 517 Cb 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.79 3i89 n TYR 517 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 176.86 176.83 3i89 n TYR 518 N 0.00 0.00 -4.38 -0.72 -0.00 -1.26 -4.61 117.16 106.19 3i89 n TYR 518 Ca 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 57.90 57.71 3i89 n TYR 518 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 39.34 39.24 3i89 n TYR 518 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.86 176.35 3i89 s LEU 519 N 0.00 1.91 -0.01 2.98 1.43 -0.88 -1.18 118.68 122.94 3i89 s LEU 519 Ca 0.00 -1.38 0.03 0.00 -1.03 0.00 0.00 54.13 51.75 3i89 s LEU 519 Cb 0.00 -0.18 -0.01 0.00 0.03 0.00 0.00 46.19 46.03 3i89 s LEU 519 CO 0.00 -0.67 -0.09 -1.10 0.23 0.00 0.00 176.35 174.73 3i89 s GLN 520 N -3.96 0.72 -0.33 1.70 -0.21 0.16 -2.60 119.66 115.14 3i89 s GLN 520 Ca 0.37 -0.30 -0.03 0.00 0.02 0.00 0.00 55.36 55.42 3i89 s GLN 520 Cb 0.08 -0.70 0.06 0.00 1.00 0.00 0.00 33.01 33.46 3i89 s GLN 520 CO 0.15 0.17 2.61 -0.89 -2.12 0.00 0.00 175.29 175.21 3i89 n ILE 521 N 2.93 3.04 -2.24 1.08 2.08 -1.24 -2.16 119.36 122.85 3i89 n ILE 521 Ca -0.14 -2.24 -0.37 0.00 0.56 0.00 0.00 62.75 60.56 3i89 n ILE 521 Cb 0.57 -1.56 -0.01 0.00 -0.75 0.00 0.00 39.64 37.89 3i89 n ILE 521 CO 0.00 0.00 0.00 -1.00 0.56 0.00 0.00 176.55 176.11 3i89 s HIS 522 N -1.30 2.84 -0.09 1.39 3.76 -1.01 -4.48 115.29 116.41 3i89 s HIS 522 Ca 0.48 1.53 -0.02 0.00 -0.15 0.00 0.00 55.06 56.91 3i89 s HIS 522 Cb 0.31 -3.39 -0.03 0.00 1.11 0.00 0.00 32.58 30.59 3i89 s HIS 522 CO -0.11 -1.56 0.22 -2.30 -0.85 0.00 0.00 174.74 170.14 3i89 n PRO 523 N -0.56 0.00 -2.20 8.40 -0.02 -1.26 -0.51 135.00 138.84 3i89 n PRO 523 Ca 0.08 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.46 3i89 n PRO 523 Cb 0.48 -0.11 -0.00 0.00 -0.02 0.00 0.00 33.50 33.85 3i89 n PRO 523 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3i89 n GLN 524 N 0.62 -0.83 -3.50 -0.52 6.02 -1.26 -5.00 117.38 112.91 3i89 n GLN 524 Ca 0.06 0.46 -0.10 0.00 -0.01 0.00 0.00 57.00 57.42 3i89 n GLN 524 Cb 0.01 -4.49 -0.03 0.00 1.02 0.00 0.00 30.24 26.75 3i89 n GLN 524 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.06 174.22 3i89 s GLU 525 N -4.50 0.88 -0.70 -1.09 4.04 0.33 -4.47 118.70 113.19 3i89 s GLU 525 Ca 0.01 -0.24 -0.07 0.00 0.04 0.00 0.00 54.97 54.71 3i89 s GLU 525 Cb -0.00 0.41 0.18 0.00 0.02 0.00 0.00 34.13 34.74 3i89 s GLU 525 CO 0.01 -0.37 0.56 -0.51 -1.84 0.00 0.00 175.26 173.11 3i89 s LEU 526 N -2.28 5.77 0.26 1.83 1.43 -1.26 -2.40 118.68 122.04 3i89 s LEU 526 Ca 0.02 -2.82 -0.19 0.00 -1.03 0.00 0.00 54.13 50.11 3i89 s LEU 526 Cb -0.01 -1.98 -0.09 0.00 0.03 0.00 0.00 46.19 44.15 3i89 s LEU 526 CO -0.07 -0.44 0.76 -0.60 0.23 0.00 0.00 176.35 176.23 3i89 s ARG 527 N -0.01 4.24 0.15 1.70 3.52 -0.92 -4.77 118.95 122.85 3i89 s ARG 527 Ca 0.17 0.89 0.04 0.00 -0.13 0.00 0.00 55.73 56.71 3i89 s ARG 527 Cb -0.17 -2.75 -0.04 0.00 -1.56 0.00 0.00 34.95 30.44 3i89 s ARG 527 CO -0.05 0.31 0.14 -1.14 -0.81 0.00 0.00 175.30 173.75 3i89 s GLN 528 N -2.24 2.95 0.00 5.12 0.74 -1.26 0.37 119.66 125.34 3i89 s GLN 528 Ca 0.47 -0.80 0.00 0.00 0.05 0.00 0.00 55.36 55.07 3i89 s GLN 528 Cb -0.15 -2.70 0.00 0.00 1.10 0.00 0.00 33.01 31.26 3i89 s GLN 528 CO 0.20 0.51 0.00 -0.89 -0.55 0.00 0.00 175.29 174.56 3i89 n ILE 529 N -0.20 0.00 -3.48 -2.34 5.41 -0.32 -4.97 119.36 113.46 3i89 n ILE 529 Ca -0.08 0.00 -0.19 0.00 1.00 0.00 0.00 62.75 63.47 3i89 n ILE 529 Cb 0.54 -0.10 -0.02 0.00 -0.71 0.00 0.00 39.64 39.35 3i89 n ILE 529 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 3i89 s SER 530 N 1.00 5.51 -0.01 4.38 0.01 -1.26 -5.00 113.70 118.33 3i89 s SER 530 Ca 0.00 -0.45 0.00 0.00 1.31 0.00 0.00 55.95 56.81 3i89 s SER 530 Cb 0.00 -0.89 0.02 0.00 0.21 0.00 0.00 66.02 65.36 3i89 s SER 530 CO 0.00 -0.53 0.01 -2.28 0.41 0.00 0.00 173.24 170.85 3i89 s HIS 531 N -2.32 0.06 -0.21 2.43 2.46 -1.26 -4.00 115.29 112.46 3i89 s HIS 531 Ca 0.47 0.06 -0.18 0.00 0.47 0.00 0.00 55.06 55.88 3i89 s HIS 531 Cb -0.07 -0.18 0.05 0.00 -0.13 0.00 0.00 32.58 32.26 3i89 s HIS 531 CO 0.30 -0.06 0.54 0.99 -2.47 0.00 0.00 174.74 174.04 3i89 s THR 532 N 0.66 -0.00 0.20 0.89 2.01 -0.79 -5.00 115.64 113.61 3i89 s THR 532 Ca -0.06 0.00 0.07 0.00 0.31 0.00 0.00 61.69 62.02 3i89 s THR 532 Cb -0.08 -0.76 -0.04 0.00 0.01 0.00 0.00 72.50 71.63 3i89 s THR 532 CO -0.02 0.00 0.04 -0.70 -0.69 0.00 0.00 174.62 173.26 3i89 s GLU 533 N 0.37 2.52 0.20 4.92 2.12 -1.24 -0.18 118.70 127.41 3i89 s GLU 533 Ca -0.01 -1.13 0.09 0.00 0.36 0.00 0.00 54.97 54.28 3i89 s GLU 533 Cb -0.04 -2.39 -0.05 0.00 0.26 0.00 0.00 34.13 31.92 3i89 s GLU 533 CO -0.00 0.43 -0.17 -1.64 -0.54 0.00 0.00 175.26 173.34 3i89 s MET 534 N -3.22 1.36 0.04 4.30 -1.94 0.13 -4.97 119.30 115.00 3i89 s MET 534 Ca 0.29 -1.55 -0.07 0.00 -1.71 0.00 0.00 55.69 52.65 3i89 s MET 534 Cb -0.09 -1.30 -0.02 0.00 2.01 0.00 0.00 34.83 35.44 3i89 s MET 534 CO 0.20 0.24 0.42 0.39 -0.01 0.00 0.00 175.02 176.26 3i89 n GLU 535 N -0.16 -0.10 -1.59 2.03 -0.58 -1.26 -4.73 120.64 114.25 3i89 n GLU 535 Ca -0.09 0.41 0.00 0.00 -0.42 0.00 0.00 57.16 57.06 3i89 n GLU 535 Cb 0.59 -0.61 0.00 0.00 -0.57 0.00 0.00 31.44 30.85 3i89 n GLU 535 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 3i89 n HIS 536 N -3.90 0.00 -2.45 -0.32 8.25 -1.26 -5.08 115.22 110.46 3i89 n HIS 536 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.05 3i89 n HIS 536 Cb 0.06 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.14 3i89 n HIS 536 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3i89 s GLU 537 N -1.38 4.50 -0.22 -0.41 2.02 -1.26 -4.28 118.70 117.67 3i89 s GLU 537 Ca 0.00 1.76 -0.29 0.00 0.02 0.00 0.00 54.97 56.46 3i89 s GLU 537 Cb 0.00 -3.31 -0.04 0.00 0.10 0.00 0.00 34.13 30.88 3i89 s GLU 537 CO 0.00 -0.12 1.93 0.08 0.02 0.00 0.00 175.26 177.17 3i89 s VAL 538 N 0.46 3.30 0.04 2.63 1.01 1.41 -0.45 120.40 128.81 3i89 s VAL 538 Ca 0.55 0.33 -0.16 0.00 0.00 0.00 0.00 61.98 62.70 3i89 s VAL 538 Cb -0.30 -3.35 -0.29 0.00 0.00 0.00 0.00 36.38 32.44 3i89 s VAL 538 CO 0.32 -0.19 1.09 0.00 0.00 0.00 0.00 175.10 176.33 3i89 h ALA 539 N 12.85 -0.01 -1.54 5.51 0.00 0.25 -3.46 119.26 132.86 3i89 h ALA 539 Ca -0.38 -0.75 0.10 0.00 0.00 0.00 0.00 54.91 53.87 3i89 h ALA 539 Cb 1.20 0.11 -0.23 0.00 0.00 0.00 0.00 17.79 18.87 3i89 h ALA 539 CO 0.99 0.65 0.59 0.00 0.00 0.00 0.00 179.25 181.47 3i89 s LEU 541 N -1.16 1.87 -0.09 0.00 1.43 -1.26 -2.17 118.68 117.29 3i89 s LEU 541 Ca -0.00 -0.42 -0.07 0.00 -1.03 0.00 0.00 54.13 52.60 3i89 s LEU 541 Cb -0.01 0.47 0.03 0.00 0.03 0.00 0.00 46.19 46.71 3i89 s LEU 541 CO 0.00 -0.40 0.24 -0.62 0.23 0.00 0.00 176.35 175.80 3i89 s ASP 542 N -1.69 -0.25 -0.05 2.29 2.15 -1.26 -4.87 116.67 112.99 3i89 s ASP 542 Ca -0.11 0.49 -0.02 0.00 0.43 0.00 0.00 52.55 53.34 3i89 s ASP 542 Cb -0.06 0.46 0.04 0.00 -0.30 0.00 0.00 42.92 43.06 3i89 s ASP 542 CO -0.01 -0.11 0.09 0.27 -0.17 0.00 0.00 175.17 175.24 3i89 s ILE 543 N 0.51 -0.10 -0.18 4.11 -5.25 -1.26 -4.61 121.20 114.42 3i89 s ILE 543 Ca -0.03 0.28 -0.05 0.00 -0.99 0.00 0.00 60.65 59.86 3i89 s ILE 543 Cb -0.05 -0.18 0.09 0.00 2.95 0.00 0.00 42.46 45.27 3i89 s ILE 543 CO -0.03 0.11 0.31 -0.89 -1.79 0.00 0.00 174.94 172.66 3i89 s THR 544 N 1.55 -0.49 -0.20 8.37 2.01 -1.26 -4.66 115.64 120.95 3i89 s THR 544 Ca -0.04 0.13 -0.31 0.00 0.31 0.00 0.00 61.69 61.78 3i89 s THR 544 Cb -0.12 -0.60 -0.08 0.00 0.01 0.00 0.00 72.50 71.71 3i89 s THR 544 CO -0.04 0.01 2.15 -0.81 -0.69 0.00 0.00 174.62 175.23 3i89 n PRO 545 N 5.36 1.88 0.00 4.92 -0.04 -1.26 -4.91 135.00 140.94 3i89 n PRO 545 Ca -0.06 0.57 0.00 0.00 -0.04 0.00 0.00 63.50 63.97 3i89 n PRO 545 Cb 0.50 -2.95 0.00 0.00 -0.04 0.00 0.00 33.50 31.00 3i89 n PRO 545 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3i89 n LEU 546 N 10.16 0.34 -0.00 1.53 4.32 -1.26 -4.78 117.00 127.30 3i89 n LEU 546 Ca 0.31 0.06 -0.01 0.00 -0.02 0.00 0.00 56.01 56.35 3i89 n LEU 546 Cb 0.37 0.00 -0.00 0.00 -1.62 0.00 0.00 43.42 42.17 3i89 n LEU 546 CO 0.70 0.00 -0.06 0.61 -1.22 0.00 0.00 177.39 177.42 3i89 n GLY 547 N 1.37 -0.21 2.47 -0.72 0.00 -1.26 -4.73 105.19 102.11 3i89 n GLY 547 Ca 0.00 -0.03 -0.27 0.00 0.00 0.00 0.00 46.02 45.72 3i89 n GLY 547 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3i89 n ASP 548 N -2.75 6.51 -3.43 1.61 5.75 -1.26 -4.77 116.55 118.21 3i89 n ASP 548 Ca -0.01 -3.18 -0.20 0.00 -0.01 0.00 0.00 54.79 51.39 3i89 n ASP 548 Cb 0.04 -1.25 -0.11 0.00 -1.03 0.00 0.00 41.12 38.78 3i89 n ASP 548 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 3i89 s SER 549 N 0.42 2.05 -0.60 -1.12 1.04 -1.26 -5.06 113.70 109.17 3i89 s SER 549 Ca 0.59 -1.05 -0.27 0.00 0.48 0.00 0.00 55.95 55.70 3i89 s SER 549 Cb 0.37 0.30 -0.01 0.00 0.10 0.00 0.00 66.02 66.77 3i89 s SER 549 CO -0.21 -0.38 1.79 0.20 0.98 0.00 0.00 173.24 175.62 3i89 s ASN 550 N 2.11 5.43 0.00 7.02 0.01 -1.26 -4.52 114.94 123.74 3i89 s ASN 550 Ca 0.11 0.35 0.00 0.00 -0.71 0.00 0.00 52.86 52.61 3i89 s ASN 550 Cb -0.15 -2.53 0.00 0.00 0.41 0.00 0.00 41.25 38.98 3i89 s ASN 550 CO -0.28 -2.25 0.00 0.61 -1.51 0.00 0.00 177.10 173.67 3i89 n GLY 551 N 5.63 0.77 3.73 0.66 0.00 -1.26 -4.87 105.19 109.85 3i89 n GLY 551 Ca 0.19 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 3i89 n GLY 551 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3i89 s LEU 552 N 0.00 4.42 -0.16 0.99 2.96 -1.26 -4.45 118.68 121.18 3i89 s LEU 552 Ca 0.00 2.20 -0.03 0.00 -0.22 0.00 0.00 54.13 56.08 3i89 s LEU 552 Cb 0.00 -3.60 -0.02 0.00 0.50 0.00 0.00 46.19 43.07 3i89 s LEU 552 CO 0.00 -0.43 -0.05 -0.55 -1.32 0.00 0.00 176.35 174.00 3i89 s SER 553 N 0.45 4.62 0.00 3.68 0.15 -1.26 -4.73 113.70 116.61 3i89 s SER 553 Ca 0.56 -0.19 0.00 0.00 0.70 0.00 0.00 55.95 57.01 3i89 s SER 553 Cb -0.33 -1.75 0.00 0.00 -1.71 0.00 0.00 66.02 62.23 3i89 s SER 553 CO 0.34 0.14 0.00 -2.65 1.20 0.00 0.00 173.24 172.28 3i89 n PRO 554 N 3.72 2.28 0.00 5.44 -0.02 -1.26 -4.89 135.00 140.26 3i89 n PRO 554 Ca -0.18 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.30 3i89 n PRO 554 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.00 3i89 n PRO 554 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 3i89 n LEU 555 N 0.00 0.00 0.00 2.45 -0.00 -1.26 -4.44 117.00 113.75 3i89 n LEU 555 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 56.01 55.95 3i89 n LEU 555 Cb 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 43.42 43.44 3i89 n LEU 555 CO 0.00 -0.88 0.64 0.00 -0.00 0.00 0.00 177.39 177.16 3i89 s ALA 557 N -2.01 -0.91 -0.28 0.00 0.00 -1.26 0.15 121.76 117.45 3i89 s ALA 557 Ca 0.19 0.09 -0.16 0.00 0.00 0.00 0.00 51.96 52.07 3i89 s ALA 557 Cb -0.04 0.49 0.09 0.00 0.00 0.00 0.00 23.12 23.67 3i89 s ALA 557 CO 0.08 -0.53 0.75 -1.50 0.00 0.00 0.00 175.76 174.56 3i89 s ILE 558 N -3.10 0.00 -0.02 0.00 2.07 -1.16 -4.13 121.20 114.86 3i89 s ILE 558 Ca -0.01 0.00 -0.14 0.00 -1.41 0.00 0.00 60.65 59.08 3i89 s ILE 558 Cb 0.01 -1.00 -0.05 0.00 0.13 0.00 0.00 42.46 41.54 3i89 s ILE 558 CO -0.07 0.00 0.39 -0.83 -1.91 0.00 0.00 174.94 172.52 3i89 s GLY 559 N 1.56 2.44 0.45 1.50 0.00 -0.92 -2.57 107.32 109.79 3i89 s GLY 559 Ca -0.10 -0.26 0.04 0.00 0.00 0.00 0.00 44.72 44.40 3i89 s GLY 559 CO -0.19 0.14 0.32 1.04 0.00 0.00 0.00 173.10 174.41 3i89 n LEU 560 N 1.98 0.00 -0.06 0.66 4.77 -0.63 0.22 117.00 123.94 3i89 n LEU 560 Ca -0.14 -2.39 -0.06 0.00 -0.03 0.00 0.00 56.01 53.39 3i89 n LEU 560 Cb 0.52 -0.01 -0.02 0.00 -2.33 0.00 0.00 43.42 41.58 3i89 n LEU 560 CO 0.37 -0.52 -0.45 0.79 -1.33 0.00 0.00 177.39 176.25 3i89 n TRP 561 N -1.54 0.14 0.03 -1.77 7.02 0.40 -4.25 117.44 117.47 3i89 n TRP 561 Ca -0.03 0.06 -0.19 0.00 -1.02 0.00 0.00 57.50 56.32 3i89 n TRP 561 Cb 0.52 -0.42 -0.10 0.00 -2.42 0.00 0.00 31.31 28.89 3i89 n TRP 561 CO 0.00 0.00 0.00 1.15 -2.02 0.00 0.00 177.69 176.82 3i89 h THR 562 N -0.73 1.31 0.00 -0.99 2.02 -1.96 -3.25 112.91 109.31 3i89 h THR 562 Ca 0.00 -2.18 0.00 0.00 0.77 0.00 0.00 66.41 65.00 3i89 h THR 562 Cb 0.66 2.39 0.00 0.00 -1.74 0.00 0.00 68.15 69.45 3i89 h THR 562 CO 0.00 0.67 0.00 -2.24 0.37 0.00 0.00 175.52 174.32 3i89 h ASP 563 N 0.31 0.00 -4.88 4.18 2.03 -1.98 -3.49 116.42 112.59 3i89 h ASP 563 Ca -0.11 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.19 3i89 h ASP 563 Cb 1.59 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 40.07 3i89 h ASP 563 CO 0.18 0.00 -1.00 -0.38 -1.03 0.00 0.00 179.24 177.01 3i89 n ILE 564 N -2.86-11.20 -3.53 4.15 -0.00 -1.23 -4.85 119.36 99.84 3i89 n ILE 564 Ca 0.04 1.83 -0.09 0.00 -0.00 0.00 0.00 62.75 64.54 3i89 n ILE 564 Cb 0.48 -6.56 -0.02 0.00 -0.00 0.00 0.00 39.64 33.54 3i89 n ILE 564 CO 0.00 0.00 0.00 -0.94 -0.00 0.00 0.00 176.55 175.61 3i89 s SER 565 N -1.29 -0.39 -0.01 4.38 1.04 -1.26 -3.49 113.70 112.68 3i89 s SER 565 Ca -0.05 -0.09 -0.03 0.00 0.48 0.00 0.00 55.95 56.27 3i89 s SER 565 Cb 0.00 0.47 -0.00 0.00 0.10 0.00 0.00 66.02 66.59 3i89 s SER 565 CO 0.71 -0.79 0.05 0.00 0.98 0.00 0.00 173.24 174.19 3i89 s ALA 566 N -3.34 -0.12 -0.02 5.32 0.00 -1.11 -1.60 121.76 120.88 3i89 s ALA 566 Ca 0.05 -0.06 -0.17 0.00 0.00 0.00 0.00 51.96 51.79 3i89 s ALA 566 Cb -0.01 -0.01 0.03 0.00 0.00 0.00 0.00 23.12 23.13 3i89 s ALA 566 CO -0.08 -0.09 0.35 -0.98 0.00 0.00 0.00 175.76 174.96 3i89 s ARG 567 N -0.57 0.70 -0.25 0.00 1.70 -1.06 -1.07 118.95 118.41 3i89 s ARG 567 Ca -0.06 -0.12 -0.11 0.00 -0.47 0.00 0.00 55.73 54.97 3i89 s ARG 567 Cb -0.04 0.32 -0.05 0.00 -0.57 0.00 0.00 34.95 34.61 3i89 s ARG 567 CO 0.00 -0.20 0.17 0.42 -1.08 0.00 0.00 175.30 174.61 3i89 s ILE 568 N -1.26 5.35 0.02 4.99 -1.09 0.39 -3.01 121.20 126.58 3i89 s ILE 568 Ca -0.13 0.19 -0.04 0.00 -2.23 0.00 0.00 60.65 58.44 3i89 s ILE 568 Cb -0.05 -3.51 -0.01 0.00 -1.58 0.00 0.00 42.46 37.31 3i89 s ILE 568 CO 0.05 0.33 0.05 -0.76 -1.23 0.00 0.00 174.94 173.38 3i89 s LEU 569 N 1.18 1.94 0.00 2.97 1.02 0.40 0.90 118.68 127.09 3i89 s LEU 569 Ca 0.08 -0.45 0.00 0.00 0.02 0.00 0.00 54.13 53.78 3i89 s LEU 569 Cb -0.14 0.40 0.00 0.00 0.02 0.00 0.00 46.19 46.48 3i89 s LEU 569 CO 0.06 -0.39 0.00 1.17 0.02 0.00 0.00 176.35 177.20 3i89 n LYS 570 N 1.26 3.05 0.00 1.70 4.81 -1.10 0.41 118.16 128.29 3i89 n LYS 570 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.22 3i89 n LYS 570 Cb 0.56 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.61 3i89 n LYS 570 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 3i89 n LEU 571 N 0.00 0.00 0.08 3.14 7.94 -1.26 -4.23 117.00 122.67 3i89 n LEU 571 Ca 0.00 0.00 0.12 0.00 -1.11 0.00 0.00 56.01 55.02 3i89 n LEU 571 Cb 0.00 0.00 0.45 0.00 0.53 0.00 0.00 43.42 44.40 3i89 n LEU 571 CO 0.00 0.00 0.86 -2.65 -1.11 0.00 0.00 177.39 174.49 3i89 n PRO 572 N 0.00 0.15 0.03 1.96 -0.02 -1.26 -3.18 135.00 132.68 3i89 n PRO 572 Ca 0.00 0.27 -0.19 0.00 -2.02 0.00 0.00 63.50 61.55 3i89 n PRO 572 Cb 0.00 -1.73 -0.14 0.00 -0.02 0.00 0.00 33.50 31.61 3i89 n PRO 572 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3i89 h SER 573 N 0.00 0.39 -1.84 2.55 4.64 -2.01 -3.43 113.55 113.85 3i89 h SER 573 Ca 0.00 -0.95 -0.04 0.00 -0.47 0.00 0.00 61.79 60.34 3i89 h SER 573 Cb 0.47 -0.13 0.02 0.00 -0.31 0.00 0.00 62.40 62.45 3i89 h SER 573 CO 0.00 1.36 -0.07 0.49 -0.87 0.00 0.00 176.83 177.74 3i89 n PHE 574 N -4.17 -0.27 -3.25 4.77 3.01 -1.19 -5.01 117.46 111.34 3i89 n PHE 574 Ca -0.15 0.10 -0.39 0.00 1.01 0.00 0.00 57.45 58.02 3i89 n PHE 574 Cb 0.78 -1.77 -0.07 0.00 -0.01 0.00 0.00 39.48 38.42 3i89 n PHE 574 CO 0.00 0.00 0.00 -1.83 1.01 0.00 0.00 176.76 175.94 3i89 s GLU 575 N -4.76 4.16 -0.02 -1.08 -1.05 -1.26 -4.84 118.70 109.85 3i89 s GLU 575 Ca 0.04 0.38 -0.30 0.00 -0.15 0.00 0.00 54.97 54.94 3i89 s GLU 575 Cb -0.02 -3.58 -0.04 0.00 -0.44 0.00 0.00 34.13 30.05 3i89 s GLU 575 CO 0.08 -0.19 1.28 -1.17 0.95 0.00 0.00 175.26 176.20 3i89 s LEU 576 N 1.77 4.31 0.00 1.83 1.98 -1.26 -2.70 118.68 124.61 3i89 s LEU 576 Ca 0.23 1.96 0.00 0.00 -2.89 0.00 0.00 54.13 53.43 3i89 s LEU 576 Cb -0.15 -3.56 0.00 0.00 0.66 0.00 0.00 46.19 43.13 3i89 s LEU 576 CO 0.09 -0.62 0.00 0.18 -1.89 0.00 0.00 176.35 174.11 3i89 n LEU 577 N 5.08 0.00 -4.81 -0.68 4.32 0.26 -4.99 117.00 116.17 3i89 n LEU 577 Ca 0.11 0.00 -0.23 0.00 -0.02 0.00 0.00 56.01 55.88 3i89 n LEU 577 Cb 0.45 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 42.20 3i89 n LEU 577 CO 0.56 0.00 -0.07 -2.28 -1.22 0.00 0.00 177.39 174.38 3i89 s HIS 578 N 0.15 2.67 -0.03 -1.77 5.65 -1.26 -4.94 115.29 115.75 3i89 s HIS 578 Ca 0.00 -0.53 -0.29 0.00 0.25 0.00 0.00 55.06 54.49 3i89 s HIS 578 Cb 0.00 -2.07 0.09 0.00 -1.18 0.00 0.00 32.58 29.42 3i89 s HIS 578 CO 0.00 0.03 0.77 -1.59 -0.65 0.00 0.00 174.74 173.30 3i89 s LYS 579 N -4.02 0.96 -0.12 2.88 -2.85 -1.26 -0.46 119.74 114.86 3i89 s LYS 579 Ca 0.45 0.01 0.01 0.00 -1.00 0.00 0.00 55.97 55.44 3i89 s LYS 579 Cb 0.00 0.45 -0.01 0.00 -2.06 0.00 0.00 37.83 36.21 3i89 s LYS 579 CO 0.25 -0.34 -0.17 -2.00 0.10 0.00 0.00 175.35 173.18 3i89 s GLU 580 N -1.94 3.24 -1.17 1.78 2.56 -0.23 -5.01 118.70 117.93 3i89 s GLU 580 Ca -0.04 -0.77 -0.07 0.00 0.00 0.00 0.00 54.97 54.09 3i89 s GLU 580 Cb -0.00 -2.50 0.24 0.00 2.00 0.00 0.00 34.13 33.86 3i89 s GLU 580 CO 0.01 0.19 1.60 -0.12 -0.56 0.00 0.00 175.26 176.38 3i89 n MET 581 N 3.56 3.97 -0.87 4.30 0.00 -1.26 -2.74 117.12 124.08 3i89 n MET 581 Ca -0.19 -4.09 -0.32 0.00 -0.00 0.00 0.00 57.70 53.11 3i89 n MET 581 Cb 0.53 -2.72 0.15 0.00 0.00 0.00 0.00 33.22 31.18 3i89 n MET 581 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 3i89 s LEU 582 N -1.25 2.96 0.00 -0.89 1.43 -1.23 -5.01 118.68 114.68 3i89 s LEU 582 Ca 0.35 2.23 0.00 0.00 -1.03 0.00 0.00 54.13 55.68 3i89 s LEU 582 Cb 0.05 -4.57 0.00 0.00 0.03 0.00 0.00 46.19 41.69 3i89 s LEU 582 CO 0.04 -2.90 0.00 0.61 0.23 0.00 0.00 176.35 174.33 3i89 n GLY 583 N 0.23 -0.12 0.00 -3.19 0.00 -1.26 -4.67 105.19 96.17 3i89 n GLY 583 Ca 0.12 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.32 3i89 n GLY 583 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i89 n GLY 584 N 5.00 -0.94 0.75 -0.02 0.00 -1.26 -4.74 105.19 103.99 3i89 n GLY 584 Ca 0.00 -1.65 0.07 0.00 0.00 0.00 0.00 46.02 44.44 3i89 n GLY 584 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i89 n GLU 585 N -1.08 2.89 -4.80 1.61 -0.58 -1.26 -4.89 120.64 112.53 3i89 n GLU 585 Ca 0.00 -2.46 -0.33 0.00 -0.42 0.00 0.00 57.16 53.95 3i89 n GLU 585 Cb 0.00 -1.57 -0.13 0.00 -0.57 0.00 0.00 31.44 29.17 3i89 n GLU 585 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 3i89 s ILE 586 N -1.98 3.21 0.41 -3.67 -1.09 -1.26 -5.12 121.20 111.69 3i89 s ILE 586 Ca 0.33 -0.65 -0.01 0.00 -2.23 0.00 0.00 60.65 58.08 3i89 s ILE 586 Cb 0.24 -2.29 -0.03 0.00 -1.58 0.00 0.00 42.46 38.79 3i89 s ILE 586 CO 0.12 0.57 0.64 0.27 -1.23 0.00 0.00 174.94 175.31 3i89 s ILE 587 N -0.42 4.87 -0.21 2.92 -0.00 -1.26 -4.77 121.20 122.32 3i89 s ILE 587 Ca 0.05 -0.26 -0.29 0.00 -0.00 0.00 0.00 60.65 60.15 3i89 s ILE 587 Cb -0.12 -3.80 -0.04 0.00 -0.00 0.00 0.00 42.46 38.50 3i89 s ILE 587 CO 0.02 -0.61 1.85 -2.16 -0.00 0.00 0.00 174.94 174.04 3i89 s PRO 588 N -4.49 3.57 0.29 0.37 0.04 -1.26 -2.63 135.00 130.89 3i89 s PRO 588 Ca 0.44 1.82 0.15 0.00 0.04 0.00 0.00 61.00 63.44 3i89 s PRO 588 Cb -0.10 -4.17 0.31 0.00 0.04 0.00 0.00 34.50 30.57 3i89 s PRO 588 CO 0.39 -1.58 1.56 -0.09 0.04 0.00 0.00 177.00 177.32 3i89 h ARG 589 N 12.27 0.00 -2.66 4.56 1.12 -1.42 -3.41 114.38 124.84 3i89 h ARG 589 Ca -0.38 0.00 -0.12 0.00 -1.11 0.00 0.00 59.98 58.38 3i89 h ARG 589 Cb 1.19 0.00 -0.26 0.00 -0.01 0.00 0.00 29.97 30.88 3i89 h ARG 589 CO 0.99 0.55 -0.30 0.45 -3.11 0.00 0.00 179.97 178.55 3i89 s SER 590 N -6.54 -0.50 -0.05 -3.80 0.15 -1.12 -4.83 113.70 97.00 3i89 s SER 590 Ca 0.01 0.87 0.02 0.00 0.70 0.00 0.00 55.95 57.56 3i89 s SER 590 Cb 0.10 0.76 0.01 0.00 -1.71 0.00 0.00 66.02 65.18 3i89 s SER 590 CO 0.74 -0.19 -0.11 -0.51 1.20 0.00 0.00 173.24 174.37 3i89 s ILE 591 N 1.31 0.97 0.00 6.45 1.10 -1.26 0.12 121.20 129.90 3i89 s ILE 591 Ca -0.09 -0.41 0.01 0.00 -0.51 0.00 0.00 60.65 59.65 3i89 s ILE 591 Cb -0.08 -0.89 -0.00 0.00 0.15 0.00 0.00 42.46 41.63 3i89 s ILE 591 CO -0.12 0.31 -0.02 -0.22 -2.11 0.00 0.00 174.94 172.78 3i89 s LEU 592 N 0.54 2.04 0.06 8.50 2.96 0.98 -4.34 118.68 129.42 3i89 s LEU 592 Ca -0.10 -0.10 0.07 0.00 -0.22 0.00 0.00 54.13 53.77 3i89 s LEU 592 Cb -0.14 -0.07 -0.04 0.00 0.50 0.00 0.00 46.19 46.45 3i89 s LEU 592 CO 0.02 -0.02 -0.15 0.00 -1.32 0.00 0.00 176.35 174.88 3i89 s MET 593 N -0.26 2.09 0.09 1.98 0.23 -1.25 -0.62 119.30 121.57 3i89 s MET 593 Ca -0.02 -0.99 -0.03 0.00 -1.03 0.00 0.00 55.69 53.62 3i89 s MET 593 Cb -0.02 -2.24 0.01 0.00 -1.53 0.00 0.00 34.83 31.05 3i89 s MET 593 CO -0.00 0.53 0.17 0.25 -2.03 0.00 0.00 175.02 173.94 3i89 n THR 594 N 1.23 0.00 -3.79 3.16 -2.24 -0.49 -4.86 114.28 107.28 3i89 n THR 594 Ca -0.15 -0.26 -0.09 0.00 -2.27 0.00 0.00 64.05 61.28 3i89 n THR 594 Cb 0.52 0.23 -0.03 0.00 -2.10 0.00 0.00 70.33 68.95 3i89 n THR 594 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3i89 s THR 595 N -2.74 0.01 0.15 4.28 2.01 -1.26 -2.35 115.64 115.74 3i89 s THR 595 Ca 0.04 -0.88 0.00 0.00 0.31 0.00 0.00 61.69 61.16 3i89 s THR 595 Cb -0.01 -1.78 0.00 0.00 0.01 0.00 0.00 72.50 70.72 3i89 s THR 595 CO 0.03 -0.04 0.00 0.49 -0.69 0.00 0.00 174.62 174.41 3i89 n PHE 596 N -0.40 -1.31 0.08 4.92 3.01 -1.24 -4.96 117.46 117.57 3i89 n PHE 596 Ca -0.07 0.23 0.00 0.00 1.01 0.00 0.00 57.45 58.62 3i89 n PHE 596 Cb 0.61 0.53 0.00 0.00 -0.01 0.00 0.00 39.48 40.62 3i89 n PHE 596 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 3i89 n GLU 597 N -3.01 0.00 -3.12 -1.08 4.71 -1.26 -4.77 120.64 112.12 3i89 n GLU 597 Ca 0.00 0.00 -0.19 0.00 -0.01 0.00 0.00 57.16 56.96 3i89 n GLU 597 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 31.44 30.40 3i89 n GLU 597 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 3i89 n SER 598 N -2.97 1.55 0.00 1.62 7.64 -1.26 -5.09 113.62 115.11 3i89 n SER 598 Ca 0.00 -3.13 0.00 0.00 1.01 0.00 0.00 58.87 56.75 3i89 n SER 598 Cb 0.00 -0.60 0.00 0.00 -1.01 0.00 0.00 64.21 62.60 3i89 n SER 598 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 3i89 n SER 599 N 0.16 0.00 -4.28 6.43 2.88 -1.26 -5.15 113.62 112.41 3i89 n SER 599 Ca 0.26 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.48 3i89 n SER 599 Cb 0.62 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.92 3i89 n SER 599 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 3i89 s HIS 600 N -2.00 2.40 0.02 0.66 3.76 -1.26 -3.61 115.29 115.26 3i89 s HIS 600 Ca 0.00 -0.65 0.07 0.00 -0.15 0.00 0.00 55.06 54.33 3i89 s HIS 600 Cb 0.00 -1.57 -0.02 0.00 1.11 0.00 0.00 32.58 32.10 3i89 s HIS 600 CO 0.00 -0.17 -0.20 0.71 -0.85 0.00 0.00 174.74 174.22 3i89 s TYR 601 N -0.27 1.78 -0.08 1.40 1.51 -0.99 -1.91 117.35 118.78 3i89 s TYR 601 Ca -0.00 -0.36 0.03 0.00 -1.01 0.00 0.00 57.07 55.73 3i89 s TYR 601 Cb -0.13 -1.09 0.00 0.00 -0.11 0.00 0.00 41.96 40.64 3i89 s TYR 601 CO 0.03 0.05 -0.19 -1.17 -1.11 0.00 0.00 175.55 173.16 3i89 s LEU 602 N -0.95 1.89 0.07 -1.29 0.20 -0.54 -1.40 118.68 116.65 3i89 s LEU 602 Ca 0.07 -0.44 0.05 0.00 0.69 0.00 0.00 54.13 54.51 3i89 s LEU 602 Cb -0.08 -1.14 -0.03 0.00 -0.43 0.00 0.00 46.19 44.51 3i89 s LEU 602 CO 0.01 0.11 -0.14 -0.76 -0.29 0.00 0.00 176.35 175.28 3i89 s LEU 603 N 0.44 2.26 -0.18 -0.68 1.02 0.21 0.14 118.68 121.88 3i89 s LEU 603 Ca -0.16 -0.59 -0.04 0.00 0.02 0.00 0.00 54.13 53.36 3i89 s LEU 603 Cb -0.17 -0.53 0.08 0.00 0.02 0.00 0.00 46.19 45.60 3i89 s LEU 603 CO 0.06 -0.06 0.20 0.00 0.02 0.00 0.00 176.35 176.57 3i89 s ALA 605 N 2.30 3.39 0.36 0.00 0.00 0.33 -1.77 121.76 126.37 3i89 s ALA 605 Ca 0.06 0.09 0.08 0.00 0.00 0.00 0.00 51.96 52.18 3i89 s ALA 605 Cb -0.15 -2.77 -0.04 0.00 0.00 0.00 0.00 23.12 20.15 3i89 s ALA 605 CO -0.11 0.34 0.17 -0.51 0.00 0.00 0.00 175.76 175.66 3i89 s LEU 606 N -2.41 3.25 0.31 0.00 1.43 -0.89 -1.16 118.68 119.21 3i89 s LEU 606 Ca 0.47 -0.82 0.25 0.00 -1.03 0.00 0.00 54.13 53.00 3i89 s LEU 606 Cb -0.14 -1.72 1.04 0.00 0.03 0.00 0.00 46.19 45.40 3i89 s LEU 606 CO 0.19 -0.38 1.76 1.23 0.23 0.00 0.00 176.35 179.38 3i89 h GLY 607 N 1.47 0.00 1.81 -3.19 0.00 -1.80 -3.04 103.07 98.31 3i89 h GLY 607 Ca -0.43 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 46.77 3i89 h GLY 607 CO 0.64 0.00 -0.70 1.29 0.00 0.00 0.00 176.54 177.76 3i89 h ASP 608 N 0.00 0.00 0.00 0.19 -0.00 -1.86 -3.10 116.42 111.65 3i89 h ASP 608 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 3i89 h ASP 608 Cb 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.73 3i89 h ASP 608 CO 0.00 0.55 0.00 0.61 -0.00 0.00 0.00 179.24 180.40 3i89 n GLY 609 N 1.26 1.67 3.87 7.15 0.00 -1.15 -3.81 105.19 114.18 3i89 n GLY 609 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 3i89 n GLY 609 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i89 s ALA 610 N -1.55 3.46 0.32 4.61 0.00 -1.01 -3.33 121.76 124.27 3i89 s ALA 610 Ca 0.00 -0.17 0.10 0.00 0.00 0.00 0.00 51.96 51.89 3i89 s ALA 610 Cb 0.00 -2.57 -0.06 0.00 0.00 0.00 0.00 23.12 20.50 3i89 s ALA 610 CO 0.00 0.38 -0.09 -1.17 0.00 0.00 0.00 175.76 174.88 3i89 s LEU 611 N -3.02 2.79 -0.03 0.00 0.20 -1.12 -2.10 118.68 115.41 3i89 s LEU 611 Ca 0.50 -1.06 0.02 0.00 0.69 0.00 0.00 54.13 54.28 3i89 s LEU 611 Cb -0.11 -1.16 0.00 0.00 -0.43 0.00 0.00 46.19 44.49 3i89 s LEU 611 CO 0.21 -0.13 -0.09 -0.36 -0.29 0.00 0.00 176.35 175.69 3i89 s PHE 612 N -2.54 0.94 0.08 5.38 0.40 -0.73 0.27 117.98 121.77 3i89 s PHE 612 Ca 0.32 -0.24 0.08 0.00 -0.60 0.00 0.00 56.93 56.50 3i89 s PHE 612 Cb -0.01 -0.67 -0.03 0.00 0.51 0.00 0.00 43.02 42.82 3i89 s PHE 612 CO 0.17 -0.10 -0.22 1.52 0.70 0.00 0.00 175.22 177.29 3i89 s TYR 613 N 0.22 1.92 0.19 0.36 -0.85 -1.26 0.52 117.35 118.45 3i89 s TYR 613 Ca -0.04 -0.40 -0.05 0.00 -0.52 0.00 0.00 57.07 56.07 3i89 s TYR 613 Cb -0.09 -1.09 -0.03 0.00 0.38 0.00 0.00 41.96 41.14 3i89 s TYR 613 CO 0.00 0.17 0.22 -0.06 -1.52 0.00 0.00 175.55 174.37 3i89 s PHE 614 N -0.98 0.79 -0.19 -3.49 0.08 0.36 -4.59 117.98 109.97 3i89 s PHE 614 Ca 0.08 -1.10 -0.06 0.00 0.12 0.00 0.00 56.93 55.97 3i89 s PHE 614 Cb -0.10 -0.29 -0.03 0.00 -0.57 0.00 0.00 43.02 42.04 3i89 s PHE 614 CO 0.03 -0.71 0.03 0.20 -0.10 0.00 0.00 175.22 174.67 3i89 s GLY 615 N -3.07 1.80 0.44 4.36 0.00 -1.26 -1.47 107.32 108.12 3i89 s GLY 615 Ca 0.29 -0.88 0.07 0.00 0.00 0.00 0.00 44.72 44.20 3i89 s GLY 615 CO 0.07 0.16 0.61 -2.27 0.00 0.00 0.00 173.10 171.67 3i89 s LEU 616 N 0.73 3.59 -0.23 0.66 2.96 -0.80 -4.31 118.68 121.27 3i89 s LEU 616 Ca 0.02 -0.38 -0.04 0.00 -0.22 0.00 0.00 54.13 53.51 3i89 s LEU 616 Cb -0.14 -2.66 0.08 0.00 0.50 0.00 0.00 46.19 43.98 3i89 s LEU 616 CO 0.02 -0.83 0.11 0.20 -1.32 0.00 0.00 176.35 174.53 3i89 s ASN 617 N -4.37 2.92 0.00 3.68 0.01 -1.26 -4.39 114.94 111.53 3i89 s ASN 617 Ca 0.56 -0.95 0.00 0.00 -0.71 0.00 0.00 52.86 51.76 3i89 s ASN 617 Cb -0.10 -0.28 0.00 0.00 0.41 0.00 0.00 41.25 41.28 3i89 s ASN 617 CO 0.34 -0.40 0.49 2.30 -1.51 0.00 0.00 177.10 178.32 3i89 n ILE 618 N 5.27 0.42 0.00 0.60 -5.35 -1.26 -2.28 119.36 116.75 3i89 n ILE 618 Ca -0.06 0.16 0.00 0.00 -0.27 0.00 0.00 62.75 62.58 3i89 n ILE 618 Cb 0.45 -1.16 0.00 0.00 -1.74 0.00 0.00 39.64 37.19 3i89 n ILE 618 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 3i89 n GLU 619 N -0.99 0.00 -0.07 6.28 -0.58 -1.26 -4.80 120.64 119.23 3i89 n GLU 619 Ca 0.00 0.00 -0.10 0.00 -0.42 0.00 0.00 57.16 56.64 3i89 n GLU 619 Cb 0.06 -0.24 -0.07 0.00 -0.57 0.00 0.00 31.44 30.62 3i89 n GLU 619 CO 0.00 0.00 0.00 1.79 -0.48 0.00 0.00 177.13 178.44 3i89 h THR 620 N 0.00 0.87 -3.66 2.62 1.35 -1.92 -3.51 112.91 108.66 3i89 h THR 620 Ca 0.00 -1.73 0.00 0.00 -0.55 0.00 0.00 66.41 64.13 3i89 h THR 620 Cb 0.00 1.72 0.00 0.00 -1.73 0.00 0.00 68.15 68.14 3i89 h THR 620 CO 0.00 0.29 -0.20 0.61 -0.25 0.00 0.00 175.52 175.98 3i89 n GLY 621 N 1.64 -1.69 0.00 5.82 0.00 -0.97 -5.00 105.19 104.99 3i89 n GLY 621 Ca -0.10 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.11 3i89 n GLY 621 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i89 n LEU 622 N -0.22 0.00 -4.49 0.99 4.32 -1.26 -4.37 117.00 111.98 3i89 n LEU 622 Ca 0.02 0.00 -0.30 0.00 -0.02 0.00 0.00 56.01 55.71 3i89 n LEU 622 Cb 0.09 0.00 0.26 0.00 -1.62 0.00 0.00 43.42 42.15 3i89 n LEU 622 CO 0.14 0.00 0.54 -0.22 -1.22 0.00 0.00 177.39 176.63 3i89 s LEU 623 N 0.00 0.07 0.00 2.23 2.96 -1.26 -4.76 118.68 117.92 3i89 s LEU 623 Ca 0.00 0.76 0.00 0.00 -0.22 0.00 0.00 54.13 54.67 3i89 s LEU 623 Cb 0.00 -2.40 0.00 0.00 0.50 0.00 0.00 46.19 44.29 3i89 s LEU 623 CO 0.00 -4.56 0.00 -1.54 -1.32 0.00 0.00 176.35 168.93 3i89 n SER 624 N -5.08 0.00 -3.82 3.68 3.41 -1.26 -4.73 113.62 105.83 3i89 n SER 624 Ca 0.12 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.51 3i89 n SER 624 Cb 0.59 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 64.37 3i89 n SER 624 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3i89 s ASP 625 N 1.29 1.34 -0.46 4.04 1.11 -1.26 -4.88 116.67 117.85 3i89 s ASP 625 Ca 0.00 -0.10 -0.17 0.00 0.18 0.00 0.00 52.55 52.45 3i89 s ASP 625 Cb 0.00 -0.45 0.05 0.00 1.07 0.00 0.00 42.92 43.59 3i89 s ASP 625 CO 0.00 -0.14 0.48 -0.60 1.18 0.00 0.00 175.17 176.09 3i89 s ARG 626 N 1.57 3.07 -0.48 8.23 3.52 -1.26 -4.44 118.95 129.16 3i89 s ARG 626 Ca -0.01 -0.97 0.06 0.00 -0.13 0.00 0.00 55.73 54.68 3i89 s ARG 626 Cb -0.13 -4.06 0.19 0.00 -1.56 0.00 0.00 34.95 29.39 3i89 s ARG 626 CO -0.04 -1.02 0.61 1.63 -0.81 0.00 0.00 175.30 175.68 3i89 n LYS 627 N 5.66 0.44 -1.19 5.12 5.02 -1.26 -4.98 118.16 126.97 3i89 n LYS 627 Ca -0.09 -2.40 -0.37 0.00 -2.02 0.00 0.00 58.31 53.43 3i89 n LYS 627 Cb 0.46 -1.53 0.04 0.00 -0.02 0.00 0.00 35.03 33.97 3i89 n LYS 627 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3i89 n LYS 628 N 2.86 0.09 -4.68 1.97 4.81 -1.26 -4.70 118.16 117.25 3i89 n LYS 628 Ca 0.22 0.04 -0.30 0.00 -0.87 0.00 0.00 58.31 57.40 3i89 n LYS 628 Cb 0.54 -1.25 -0.09 0.00 0.02 0.00 0.00 35.03 34.24 3i89 n LYS 628 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 3i89 s VAL 629 N -1.98 1.45 0.00 3.15 -7.23 0.76 -4.88 120.40 111.67 3i89 s VAL 629 Ca 0.55 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.72 3i89 s VAL 629 Cb -0.37 -2.52 0.00 0.00 0.56 0.00 0.00 36.38 34.05 3i89 s VAL 629 CO 0.68 0.00 0.00 1.07 -0.31 0.00 0.00 175.10 176.54 3i89 n THR 630 N -1.11 0.00 -4.57 5.32 5.66 -1.26 -2.78 114.28 115.54 3i89 n THR 630 Ca -0.12 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.88 3i89 n THR 630 Cb 0.67 -0.46 0.00 0.00 -1.55 0.00 0.00 70.33 68.99 3i89 n THR 630 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 3i89 n LEU 631 N -0.73 0.00 -4.28 1.09 4.77 -1.25 -2.40 117.00 114.20 3i89 n LEU 631 Ca 0.00 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.68 3i89 n LEU 631 Cb 0.00 0.00 0.29 0.00 -2.33 0.00 0.00 43.42 41.38 3i89 n LEU 631 CO 0.00 -0.13 0.39 0.61 -1.33 0.00 0.00 177.39 176.93 3i89 n GLY 632 N 0.00 -3.48 0.89 -0.72 0.00 -1.21 -4.87 105.19 95.80 3i89 n GLY 632 Ca 0.00 -1.59 0.12 0.00 0.00 0.00 0.00 46.02 44.56 3i89 n GLY 632 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3i89 n THR 633 N -5.67 0.03 -4.36 2.61 -2.24 -1.26 -3.96 114.28 99.43 3i89 n THR 633 Ca 0.11 -0.47 -0.25 0.00 -2.27 0.00 0.00 64.05 61.17 3i89 n THR 633 Cb 0.59 1.30 -0.09 0.00 -2.10 0.00 0.00 70.33 70.03 3i89 n THR 633 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3i89 s GLN 634 N -1.97 1.95 0.01 -0.78 -1.52 -1.25 -4.30 119.66 111.79 3i89 s GLN 634 Ca 0.30 -1.47 -0.35 0.00 -1.95 0.00 0.00 55.36 51.89 3i89 s GLN 634 Cb 0.20 -2.02 -0.14 0.00 -0.22 0.00 0.00 33.01 30.84 3i89 s GLN 634 CO 0.31 0.38 1.68 -0.35 -0.25 0.00 0.00 175.29 177.06 3i89 n PRO 635 N -0.36 1.92 -3.10 2.91 -0.04 -1.17 -3.81 135.00 131.35 3i89 n PRO 635 Ca -0.08 0.70 -0.39 0.00 -0.04 0.00 0.00 63.50 63.68 3i89 n PRO 635 Cb 0.58 -2.47 -0.06 0.00 -0.04 0.00 0.00 33.50 31.51 3i89 n PRO 635 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 3i89 s THR 636 N 2.36 4.64 -0.13 0.52 2.01 -1.24 -4.64 115.64 119.16 3i89 s THR 636 Ca 0.87 1.48 0.02 0.00 0.31 0.00 0.00 61.69 64.37 3i89 s THR 636 Cb -0.77 -4.04 -0.00 0.00 0.01 0.00 0.00 72.50 67.71 3i89 s THR 636 CO 0.47 0.48 -0.19 -0.69 -0.69 0.00 0.00 174.62 174.01 3i89 s VAL 637 N -0.72 2.47 -0.20 3.82 1.01 -0.19 -4.43 120.40 122.15 3i89 s VAL 637 Ca 0.34 -0.86 -0.05 0.00 0.00 0.00 0.00 61.98 61.41 3i89 s VAL 637 Cb -0.21 -2.00 -0.03 0.00 0.00 0.00 0.00 36.38 34.14 3i89 s VAL 637 CO 0.22 0.54 0.01 -0.76 0.00 0.00 0.00 175.10 175.11 3i89 s LEU 638 N 0.56 3.33 0.07 3.92 1.43 -1.26 -0.41 118.68 126.32 3i89 s LEU 638 Ca -0.11 -0.17 -0.00 0.00 -1.03 0.00 0.00 54.13 52.81 3i89 s LEU 638 Cb -0.16 -1.85 -0.04 0.00 0.03 0.00 0.00 46.19 44.17 3i89 s LEU 638 CO 0.04 0.07 -0.03 -0.60 0.23 0.00 0.00 176.35 176.05 3i89 s ARG 639 N 0.99 0.71 -0.03 1.70 6.06 -0.91 -5.00 118.95 122.46 3i89 s ARG 639 Ca 0.02 -1.27 0.01 0.00 -2.50 0.00 0.00 55.73 51.98 3i89 s ARG 639 Cb -0.14 0.09 -0.03 0.00 0.06 0.00 0.00 34.95 34.92 3i89 s ARG 639 CO 0.02 -0.10 -0.00 0.99 -2.50 0.00 0.00 175.30 173.71 3i89 s THR 640 N -3.85 4.17 0.33 4.11 2.01 -1.26 -0.89 115.64 120.27 3i89 s THR 640 Ca 0.10 -0.49 0.10 0.00 0.31 0.00 0.00 61.69 61.70 3i89 s THR 640 Cb 0.07 -2.82 -0.06 0.00 0.01 0.00 0.00 72.50 69.70 3i89 s THR 640 CO -0.07 0.45 -0.07 0.72 -0.69 0.00 0.00 174.62 174.96 3i89 s PHE 641 N -1.01 2.45 -0.16 4.92 -0.12 -0.60 -4.41 117.98 119.05 3i89 s PHE 641 Ca 0.17 -0.45 -0.20 0.00 -0.05 0.00 0.00 56.93 56.39 3i89 s PHE 641 Cb -0.11 -1.37 -0.03 0.00 -0.63 0.00 0.00 43.02 40.87 3i89 s PHE 641 CO 0.08 0.56 0.60 0.50 -0.05 0.00 0.00 175.22 176.91 3i89 s ARG 642 N -3.64 4.28 0.00 1.99 3.52 -1.26 -3.54 118.95 120.30 3i89 s ARG 642 Ca 0.33 0.61 0.00 0.00 -0.13 0.00 0.00 55.73 56.54 3i89 s ARG 642 Cb 0.01 -3.52 0.00 0.00 -1.56 0.00 0.00 34.95 29.87 3i89 s ARG 642 CO 0.17 -0.09 0.00 -1.13 -0.81 0.00 0.00 175.30 173.44 3i89 n SER 643 N 4.51 0.00 0.00 -2.12 3.41 -1.26 -4.98 113.62 113.18 3i89 n SER 643 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 3i89 n SER 643 Cb 0.50 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 3i89 n SER 643 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i89 n LEU 644 N 0.00 0.00 -0.05 1.04 -0.00 -1.26 -4.92 117.00 111.81 3i89 n LEU 644 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 56.01 56.02 3i89 n LEU 644 Cb 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 43.42 43.26 3i89 n LEU 644 CO 0.00 0.00 -0.92 -1.54 -0.00 0.00 0.00 177.39 174.93 3i89 n SER 645 N 0.00 0.27 -3.94 1.45 3.41 -1.26 -4.68 113.62 108.87 3i89 n SER 645 Ca 0.00 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.31 3i89 n SER 645 Cb 0.00 1.49 -0.11 0.00 -0.26 0.00 0.00 64.21 65.33 3i89 n SER 645 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3i89 s THR 646 N -2.99 3.17 0.72 6.66 -4.23 -1.26 -5.05 115.64 112.66 3i89 s THR 646 Ca -0.08 -4.19 -0.16 0.00 -1.18 0.00 0.00 61.69 56.08 3i89 s THR 646 Cb 0.10 -3.05 0.03 0.00 1.34 0.00 0.00 72.50 70.92 3i89 s THR 646 CO 0.83 -1.02 1.26 0.42 -0.54 0.00 0.00 174.62 175.57 3i89 s THR 647 N -1.41 2.02 0.22 3.99 -4.23 -1.26 -4.93 115.64 110.03 3i89 s THR 647 Ca 0.25 0.01 0.02 0.00 -1.18 0.00 0.00 61.69 60.79 3i89 s THR 647 Cb -0.05 -2.74 -0.01 0.00 1.34 0.00 0.00 72.50 71.04 3i89 s THR 647 CO -0.15 -0.00 0.08 0.59 -0.54 0.00 0.00 174.62 174.60 3i89 n ASN 648 N -2.54 1.01 -4.25 3.99 3.02 -1.23 -4.87 115.26 110.39 3i89 n ASN 648 Ca 0.15 -2.18 -0.34 0.00 -0.03 0.00 0.00 54.58 52.18 3i89 n ASN 648 Cb 0.49 0.58 -0.15 0.00 -0.61 0.00 0.00 39.78 40.10 3i89 n ASN 648 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3i89 s VAL 649 N -2.40 2.95 -0.00 2.41 1.01 -0.98 -1.56 120.40 121.84 3i89 s VAL 649 Ca 0.12 -0.66 -0.19 0.00 0.00 0.00 0.00 61.98 61.25 3i89 s VAL 649 Cb 0.01 -2.33 -0.05 0.00 0.00 0.00 0.00 36.38 34.00 3i89 s VAL 649 CO 0.08 0.45 0.56 0.12 0.00 0.00 0.00 175.10 176.31 3i89 s PHE 650 N 1.41 3.69 -0.26 5.22 5.36 -0.07 0.44 117.98 133.78 3i89 s PHE 650 Ca 0.05 1.15 -0.05 0.00 -0.96 0.00 0.00 56.93 57.12 3i89 s PHE 650 Cb -0.14 -2.55 0.00 0.00 -0.34 0.00 0.00 43.02 40.00 3i89 s PHE 650 CO -0.06 0.40 0.02 0.00 -1.46 0.00 0.00 175.22 174.12 3i89 s ALA 651 N -0.36 2.95 -0.31 11.12 0.00 0.23 -2.15 121.76 133.25 3i89 s ALA 651 Ca 0.29 -1.34 -0.15 0.00 0.00 0.00 0.00 51.96 50.77 3i89 s ALA 651 Cb -0.18 -1.95 -0.03 0.00 0.00 0.00 0.00 23.12 20.97 3i89 s ALA 651 CO 0.16 -0.72 0.36 0.00 0.00 0.00 0.00 175.76 175.56 3i89 n SER 653 N 5.35 -0.48 -0.22 0.00 7.64 -1.20 -1.02 113.62 123.69 3i89 n SER 653 Ca -0.09 -2.02 -0.04 0.00 1.01 0.00 0.00 58.87 57.73 3i89 n SER 653 Cb 0.50 1.00 0.06 0.00 -1.01 0.00 0.00 64.21 64.77 3i89 n SER 653 CO 0.00 0.00 0.00 -2.24 -3.01 0.00 0.00 175.04 169.79 3i89 h ASP 654 N 0.99 0.65 -2.75 6.43 2.03 -1.83 -3.01 116.42 118.95 3i89 h ASP 654 Ca -0.12 0.00 -0.70 0.00 -0.73 0.00 0.00 57.03 55.48 3i89 h ASP 654 Cb 0.59 -0.14 -0.19 0.00 -0.83 0.00 0.00 39.33 38.76 3i89 h ASP 654 CO 0.17 0.46 0.57 -0.60 -1.03 0.00 0.00 179.24 178.81 3i89 s ARG 655 N -6.13 3.46 0.53 4.15 3.52 -1.26 -4.15 118.95 119.07 3i89 s ARG 655 Ca -0.13 -1.70 -0.20 0.00 -0.13 0.00 0.00 55.73 53.57 3i89 s ARG 655 Cb 0.14 -4.66 -0.06 0.00 -1.56 0.00 0.00 34.95 28.82 3i89 s ARG 655 CO 0.76 -1.66 1.13 -1.25 -0.81 0.00 0.00 175.30 173.47 3i89 s PRO 656 N 2.43 3.45 -0.15 5.12 0.04 -1.25 -4.31 135.00 140.33 3i89 s PRO 656 Ca 0.26 1.63 -0.20 0.00 0.04 0.00 0.00 61.00 62.73 3i89 s PRO 656 Cb -0.10 -2.08 0.05 0.00 0.04 0.00 0.00 34.50 32.41 3i89 s PRO 656 CO -0.05 -0.77 0.52 0.99 0.04 0.00 0.00 177.00 177.73 3i89 s THR 657 N -1.74 0.01 0.14 1.26 2.01 -0.61 -2.23 115.64 114.48 3i89 s THR 657 Ca 0.71 -0.08 0.03 0.00 0.31 0.00 0.00 61.69 62.67 3i89 s THR 657 Cb -0.24 -0.76 -0.04 0.00 0.01 0.00 0.00 72.50 71.47 3i89 s THR 657 CO 0.28 -0.04 0.19 -0.69 -0.69 0.00 0.00 174.62 173.66 3i89 s VAL 658 N -0.20 4.87 -0.42 3.82 1.01 -0.57 0.74 120.40 129.65 3i89 s VAL 658 Ca -0.04 -0.84 0.04 0.00 0.00 0.00 0.00 61.98 61.14 3i89 s VAL 658 Cb -0.03 -3.47 0.11 0.00 0.00 0.00 0.00 36.38 32.99 3i89 s VAL 658 CO 0.03 -0.05 0.15 -0.63 0.00 0.00 0.00 175.10 174.60 3i89 s ILE 659 N -1.68 2.31 0.00 2.22 1.01 0.17 -2.67 121.20 122.56 3i89 s ILE 659 Ca 0.32 -2.74 0.00 0.00 0.00 0.00 0.00 60.65 58.24 3i89 s ILE 659 Cb -0.11 -2.66 0.00 0.00 0.01 0.00 0.00 42.46 39.70 3i89 s ILE 659 CO 0.25 -0.70 0.00 -1.22 0.00 0.00 0.00 174.94 173.27 3i89 n TYR 660 N 3.75 0.00 -3.68 3.97 4.02 -0.98 -2.31 117.16 121.94 3i89 n TYR 660 Ca 0.04 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.84 3i89 n TYR 660 Cb 0.37 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.60 3i89 n TYR 660 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 3i89 s SER 661 N -1.00 -0.66 0.00 7.72 0.01 -1.26 -3.61 113.70 114.91 3i89 s SER 661 Ca 0.00 1.10 0.00 0.00 1.31 0.00 0.00 55.95 58.36 3i89 s SER 661 Cb 0.00 0.99 0.00 0.00 0.21 0.00 0.00 66.02 67.22 3i89 s SER 661 CO 0.00 -0.21 0.00 -0.24 0.41 0.00 0.00 173.24 173.20 3i89 n SER 662 N 4.32 0.00 -0.02 2.44 2.88 -1.14 -4.50 113.62 117.60 3i89 n SER 662 Ca -0.22 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.21 3i89 n SER 662 Cb 0.56 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.97 3i89 n SER 662 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 3i89 h ASN 663 N 0.00 0.17 0.00 -3.46 7.08 -1.98 -3.39 115.58 114.00 3i89 h ASN 663 Ca 0.00 -0.10 0.00 0.00 -3.08 0.00 0.00 56.30 53.12 3i89 h ASN 663 Cb 0.00 -0.04 0.00 0.00 -2.08 0.00 0.00 38.32 36.20 3i89 h ASN 663 CO 0.00 0.22 -0.02 1.57 -2.08 0.00 0.00 177.43 177.12 3i89 n HIS 664 N -4.94 0.00 -0.07 4.14 -0.00 -1.26 -4.98 115.22 108.12 3i89 n HIS 664 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.67 3i89 n HIS 664 Cb 0.08 0.11 0.00 0.00 -0.00 0.00 0.00 29.99 30.18 3i89 n HIS 664 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 3i89 n LYS 665 N 0.00 3.61 -3.65 1.57 5.02 -1.26 -5.05 118.16 118.40 3i89 n LYS 665 Ca 0.00 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.20 3i89 n LYS 665 Cb 0.51 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.42 3i89 n LYS 665 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3i89 s LEU 666 N 0.00 -0.58 0.59 -0.35 1.43 -1.26 -2.89 118.68 115.63 3i89 s LEU 666 Ca 0.00 0.89 -0.17 0.00 -1.03 0.00 0.00 54.13 53.82 3i89 s LEU 666 Cb 0.00 1.22 -0.03 0.00 0.03 0.00 0.00 46.19 47.40 3i89 s LEU 666 CO 0.00 -0.24 1.10 -0.69 0.23 0.00 0.00 176.35 176.75 3i89 s VAL 667 N 2.57 3.39 -0.46 -1.59 1.01 -1.24 -4.60 120.40 119.48 3i89 s VAL 667 Ca -0.01 0.73 0.09 0.00 0.00 0.00 0.00 61.98 62.79 3i89 s VAL 667 Cb -0.12 -3.25 0.34 0.00 0.00 0.00 0.00 36.38 33.34 3i89 s VAL 667 CO -0.12 -0.32 0.80 0.49 0.00 0.00 0.00 175.10 175.95 3i89 n PHE 668 N -1.87 1.79 -3.83 5.22 3.01 -1.26 -2.31 117.46 118.21 3i89 n PHE 668 Ca 0.10 -3.89 -0.34 0.00 1.01 0.00 0.00 57.45 54.34 3i89 n PHE 668 Cb 0.52 -0.45 -0.05 0.00 -0.01 0.00 0.00 39.48 39.49 3i89 n PHE 668 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 3i89 s SER 669 N -2.76 6.43 0.41 4.37 0.01 -1.09 -4.93 113.70 116.14 3i89 s SER 669 Ca 0.43 0.45 -0.25 0.00 1.31 0.00 0.00 55.95 57.89 3i89 s SER 669 Cb 0.30 -2.04 -0.10 0.00 0.21 0.00 0.00 66.02 64.39 3i89 s SER 669 CO -0.10 0.24 1.12 0.59 0.41 0.00 0.00 173.24 175.50 3i89 n ASN 670 N 0.93 1.82 -4.51 2.44 3.02 -1.26 -1.50 115.26 116.19 3i89 n ASN 670 Ca -0.10 1.08 -0.34 0.00 -0.03 0.00 0.00 54.58 55.19 3i89 n ASN 670 Cb 0.53 -1.41 -0.12 0.00 -0.61 0.00 0.00 39.78 38.16 3i89 n ASN 670 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3i89 s VAL 671 N -1.22 3.75 -1.50 2.41 1.01 -0.95 -0.23 120.40 123.66 3i89 s VAL 671 Ca 0.62 -0.43 -0.13 0.00 0.00 0.00 0.00 61.98 62.04 3i89 s VAL 671 Cb -0.55 -2.60 0.01 0.00 0.00 0.00 0.00 36.38 33.24 3i89 s VAL 671 CO 0.58 0.53 2.42 0.59 0.00 0.00 0.00 175.10 179.22 3i89 n ASN 672 N 3.08 5.11 -4.09 3.32 3.02 0.36 -4.59 115.26 121.48 3i89 n ASN 672 Ca -0.18 -2.77 -0.08 0.00 -0.03 0.00 0.00 54.58 51.52 3i89 n ASN 672 Cb 0.53 -1.63 -0.10 0.00 -0.61 0.00 0.00 39.78 37.96 3i89 n ASN 672 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3i89 s LEU 673 N 1.69 2.45 -0.03 3.41 1.43 -1.26 -4.72 118.68 121.64 3i89 s LEU 673 Ca 0.53 -0.91 -0.25 0.00 -1.03 0.00 0.00 54.13 52.46 3i89 s LEU 673 Cb 0.15 0.12 -0.21 0.00 0.03 0.00 0.00 46.19 46.28 3i89 s LEU 673 CO -0.08 -0.52 1.16 0.50 0.23 0.00 0.00 176.35 177.64 3i89 h LYS 674 N 3.38 0.10 -1.65 1.70 3.64 -1.88 -3.42 116.57 118.43 3i89 h LYS 674 Ca -0.34 -0.07 0.05 0.00 -1.27 0.00 0.00 60.65 59.02 3i89 h LYS 674 Cb 1.16 0.01 -0.25 0.00 -0.41 0.00 0.00 32.23 32.74 3i89 h LYS 674 CO 0.61 0.69 0.43 -2.00 -2.27 0.00 0.00 179.45 176.91 3i89 s GLU 675 N -3.74 0.58 -0.03 1.90 2.12 -1.26 -4.76 118.70 113.52 3i89 s GLU 675 Ca -0.16 0.54 0.03 0.00 0.36 0.00 0.00 54.97 55.73 3i89 s GLU 675 Cb 0.01 0.28 0.00 0.00 0.26 0.00 0.00 34.13 34.69 3i89 s GLU 675 CO 0.70 -0.10 -0.11 0.08 -0.54 0.00 0.00 175.26 175.29 3i89 s VAL 676 N -0.08 0.93 -0.20 3.70 1.01 -1.14 -4.61 120.40 120.02 3i89 s VAL 676 Ca 0.01 -0.44 -0.17 0.00 0.00 0.00 0.00 61.98 61.38 3i89 s VAL 676 Cb -0.04 -0.82 -0.07 0.00 0.00 0.00 0.00 36.38 35.45 3i89 s VAL 676 CO -0.03 0.28 -0.35 0.59 0.00 0.00 0.00 175.10 175.59 3i89 n ASN 677 N 3.25 1.94 -4.16 3.32 3.02 0.81 -3.22 115.26 120.22 3i89 n ASN 677 Ca -0.18 0.33 -0.10 0.00 -0.03 0.00 0.00 54.58 54.60 3i89 n ASN 677 Cb 0.54 -0.76 -0.10 0.00 -0.61 0.00 0.00 39.78 38.85 3i89 n ASN 677 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3i89 s TYR 678 N -2.82 0.84 -0.20 3.10 1.51 -1.25 -4.73 117.35 113.80 3i89 s TYR 678 Ca -0.31 -1.02 -0.27 0.00 -1.01 0.00 0.00 57.07 54.45 3i89 s TYR 678 Cb 0.06 -0.51 0.09 0.00 -0.11 0.00 0.00 41.96 41.50 3i89 s TYR 678 CO 0.44 -0.28 0.84 1.41 -1.11 0.00 0.00 175.55 176.85 3i89 s MET 679 N -3.90 0.76 0.06 -0.62 -2.45 -1.26 -1.42 119.30 110.47 3i89 s MET 679 Ca 0.14 0.56 -0.18 0.00 -1.25 0.00 0.00 55.69 54.97 3i89 s MET 679 Cb 0.07 0.37 0.04 0.00 1.25 0.00 0.00 34.83 36.55 3i89 s MET 679 CO -0.04 -0.16 0.41 0.00 1.05 0.00 0.00 175.02 176.29 3i89 s PRO 681 N -2.78 -0.28 0.16 0.00 0.02 -1.26 0.15 135.00 131.00 3i89 s PRO 681 Ca -0.03 0.69 -0.25 0.00 0.02 0.00 0.00 61.00 61.43 3i89 s PRO 681 Cb -0.00 -1.64 0.06 0.00 0.02 0.00 0.00 34.50 32.94 3i89 s PRO 681 CO -0.05 -3.25 0.86 -1.17 -0.33 0.00 0.00 177.00 173.06 3i89 s LEU 682 N -6.86 -0.26 0.00 -5.54 2.96 0.59 -4.62 118.68 104.95 3i89 s LEU 682 Ca 0.67 -0.35 0.00 0.00 -0.22 0.00 0.00 54.13 54.23 3i89 s LEU 682 Cb -0.22 2.31 0.00 0.00 0.50 0.00 0.00 46.19 48.78 3i89 s LEU 682 CO 0.61 -0.96 0.00 -3.20 -1.32 0.00 0.00 176.35 171.48 3i89 n ASN 683 N -0.42 0.00 -4.32 3.68 5.15 -1.24 -2.44 115.26 115.67 3i89 n ASN 683 Ca -0.07 -0.55 -0.39 0.00 -0.60 0.00 0.00 54.58 52.97 3i89 n ASN 683 Cb 0.61 0.00 0.02 0.00 -0.53 0.00 0.00 39.78 39.88 3i89 n ASN 683 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 3i89 n SER 684 N 0.00 -2.82 -4.56 1.20 2.88 -1.16 -4.04 113.62 105.12 3i89 n SER 684 Ca 0.00 0.69 -0.29 0.00 -1.33 0.00 0.00 58.87 57.94 3i89 n SER 684 Cb 0.14 -0.95 -0.05 0.00 -0.75 0.00 0.00 64.21 62.60 3i89 n SER 684 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 3i89 s ASP 685 N -1.05 5.39 0.00 -3.46 1.47 -1.26 -1.23 116.67 116.53 3i89 s ASP 685 Ca 0.61 -0.87 0.00 0.00 1.18 0.00 0.00 52.55 53.46 3i89 s ASP 685 Cb -0.49 -2.56 0.00 0.00 -0.34 0.00 0.00 42.92 39.53 3i89 s ASP 685 CO 0.62 -2.53 0.00 0.61 0.68 0.00 0.00 175.17 174.55 3i89 n GLY 686 N 6.80 1.02 2.56 2.12 0.00 -1.26 -3.88 105.19 112.54 3i89 n GLY 686 Ca 0.39 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.29 3i89 n GLY 686 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3i89 n TYR 687 N 0.00 -2.12 -2.23 1.61 4.01 -0.36 -4.61 117.16 113.45 3i89 n TYR 687 Ca 0.00 -2.52 -0.25 0.00 -0.16 0.00 0.00 57.90 54.97 3i89 n TYR 687 Cb 0.00 0.95 0.07 0.00 -0.31 0.00 0.00 39.34 40.04 3i89 n TYR 687 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 3i89 s PRO 688 N -0.27 2.22 -0.21 -0.72 0.05 -0.98 -3.00 135.00 132.08 3i89 s PRO 688 Ca 0.30 -0.29 -0.03 0.00 0.05 0.00 0.00 61.00 61.03 3i89 s PRO 688 Cb 0.26 -2.19 0.03 0.00 0.05 0.00 0.00 34.50 32.65 3i89 s PRO 688 CO -0.13 -1.20 0.07 -3.47 0.05 0.00 0.00 177.00 172.31 3i89 n ASP 689 N -2.88 -0.44 -4.94 6.66 2.03 -1.22 -4.82 116.55 110.94 3i89 n ASP 689 Ca 0.08 -0.02 -0.24 0.00 0.52 0.00 0.00 54.79 55.13 3i89 n ASP 689 Cb 0.60 -0.42 0.04 0.00 -0.72 0.00 0.00 41.12 40.63 3i89 n ASP 689 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 3i89 s SER 690 N -1.05 5.32 0.06 1.67 0.15 -1.02 -4.47 113.70 114.36 3i89 s SER 690 Ca 0.09 0.34 0.07 0.00 0.70 0.00 0.00 55.95 57.15 3i89 s SER 690 Cb -0.05 -1.25 -0.03 0.00 -1.71 0.00 0.00 66.02 62.98 3i89 s SER 690 CO 0.12 -1.17 -0.19 -0.76 1.20 0.00 0.00 173.24 172.43 3i89 s LEU 691 N -4.91 2.22 0.04 3.45 1.43 -0.18 -0.30 118.68 120.42 3i89 s LEU 691 Ca 0.56 -0.57 0.04 0.00 -1.03 0.00 0.00 54.13 53.13 3i89 s LEU 691 Cb -0.10 -0.84 -0.04 0.00 0.03 0.00 0.00 46.19 45.24 3i89 s LEU 691 CO 0.42 0.08 -0.05 0.00 0.23 0.00 0.00 176.35 177.03 3i89 s ALA 692 N -0.96 3.08 -0.30 4.21 0.00 0.40 -1.89 121.76 126.29 3i89 s ALA 692 Ca 0.05 -1.07 -0.12 0.00 0.00 0.00 0.00 51.96 50.83 3i89 s ALA 692 Cb -0.09 -1.12 0.13 0.00 0.00 0.00 0.00 23.12 22.04 3i89 s ALA 692 CO 0.03 0.64 0.70 -0.51 0.00 0.00 0.00 175.76 176.61 3i89 s LEU 693 N -1.72 -1.04 0.31 0.00 1.02 -0.46 -0.44 118.68 116.35 3i89 s LEU 693 Ca 0.20 1.47 0.08 0.00 0.02 0.00 0.00 54.13 55.90 3i89 s LEU 693 Cb -0.11 2.24 -0.04 0.00 0.02 0.00 0.00 46.19 48.29 3i89 s LEU 693 CO 0.11 -0.21 0.12 0.00 0.02 0.00 0.00 176.35 176.39 3i89 s ALA 694 N 2.63 3.44 0.02 4.21 0.00 -0.51 -1.79 121.76 129.77 3i89 s ALA 694 Ca -0.06 -1.74 0.00 0.00 0.00 0.00 0.00 51.96 50.16 3i89 s ALA 694 Cb -0.10 -0.82 -0.00 0.00 0.00 0.00 0.00 23.12 22.20 3i89 s ALA 694 CO -0.19 0.11 0.02 0.27 0.00 0.00 0.00 175.76 175.97 3i89 n ASN 695 N -1.10 -0.03 -0.29 0.00 6.94 -1.04 -0.14 115.26 119.59 3i89 n ASN 695 Ca -0.04 -1.14 0.26 0.00 -0.02 0.00 0.00 54.58 53.64 3i89 n ASN 695 Cb 0.60 0.10 0.44 0.00 -2.36 0.00 0.00 39.78 38.57 3i89 n ASN 695 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 3i89 n ASN 696 N -2.91 0.17 -3.15 0.53 2.85 -1.26 -3.94 115.26 107.55 3i89 n ASN 696 Ca 0.00 0.99 0.05 0.00 -0.11 0.00 0.00 54.58 55.52 3i89 n ASN 696 Cb 0.04 -0.49 -0.01 0.00 1.24 0.00 0.00 39.78 40.56 3i89 n ASN 696 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 3i89 s SER 697 N -4.46 -0.79 0.00 1.20 1.04 -1.26 -3.28 113.70 106.15 3i89 s SER 697 Ca -0.05 0.47 0.00 0.00 0.48 0.00 0.00 55.95 56.85 3i89 s SER 697 Cb 0.22 1.65 0.00 0.00 0.10 0.00 0.00 66.02 67.99 3i89 s SER 697 CO 0.55 -0.15 0.00 0.41 0.98 0.00 0.00 173.24 175.03 3i89 n THR 698 N 5.45 0.00 -4.02 2.02 -1.04 -1.24 -4.45 114.28 111.00 3i89 n THR 698 Ca -0.04 0.00 -0.35 0.00 -2.04 0.00 0.00 64.05 61.61 3i89 n THR 698 Cb 0.53 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 68.95 3i89 n THR 698 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 3i89 s LEU 699 N 0.00 3.96 0.17 -4.42 2.96 0.67 -2.51 118.68 119.51 3i89 s LEU 699 Ca 0.00 0.21 0.04 0.00 -0.22 0.00 0.00 54.13 54.16 3i89 s LEU 699 Cb 0.00 -1.98 -0.05 0.00 0.50 0.00 0.00 46.19 44.67 3i89 s LEU 699 CO 0.00 0.28 -0.06 0.42 -1.32 0.00 0.00 176.35 175.66 3i89 s THR 700 N -0.24 1.03 -0.15 3.68 -4.23 -0.74 -3.04 115.64 111.95 3i89 s THR 700 Ca 0.09 -2.03 -0.17 0.00 -1.18 0.00 0.00 61.69 58.40 3i89 s THR 700 Cb -0.12 -1.99 0.04 0.00 1.34 0.00 0.00 72.50 71.78 3i89 s THR 700 CO 0.01 -0.62 0.45 0.27 -0.54 0.00 0.00 174.62 174.19 3i89 s ILE 701 N -3.42 0.01 0.00 2.99 -0.00 -1.24 -1.36 121.20 118.17 3i89 s ILE 701 Ca 0.20 -0.06 0.00 0.00 -0.00 0.00 0.00 60.65 60.79 3i89 s ILE 701 Cb 0.04 -0.66 0.00 0.00 -0.00 0.00 0.00 42.46 41.84 3i89 s ILE 701 CO 0.02 -0.03 0.00 0.61 -0.00 0.00 0.00 174.94 175.54 3i89 n GLY 702 N 2.54 -0.83 2.23 6.27 0.00 -0.79 -2.70 105.19 111.92 3i89 n GLY 702 Ca -0.15 -1.27 -0.12 0.00 0.00 0.00 0.00 46.02 44.49 3i89 n GLY 702 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3i89 n THR 703 N -0.85 0.00 -4.46 2.61 -2.24 -1.26 -1.01 114.28 107.07 3i89 n THR 703 Ca 0.00 -1.04 -0.20 0.00 -2.27 0.00 0.00 64.05 60.54 3i89 n THR 703 Cb 0.00 -0.85 -0.15 0.00 -2.10 0.00 0.00 70.33 67.23 3i89 n THR 703 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3i89 s ILE 704 N -1.27 0.85 0.00 2.28 -1.09 -1.26 -3.73 121.20 116.99 3i89 s ILE 704 Ca 0.36 -0.44 0.00 0.00 -2.23 0.00 0.00 60.65 58.34 3i89 s ILE 704 Cb -0.03 -0.73 0.00 0.00 -1.58 0.00 0.00 42.46 40.13 3i89 s ILE 704 CO 0.23 0.25 0.00 0.47 -1.23 0.00 0.00 174.94 174.66 3i89 n ASP 705 N 2.99 -0.24 0.00 3.58 8.00 -1.17 -5.06 116.55 124.65 3i89 n ASP 705 Ca -0.15 -0.13 0.00 0.00 0.71 0.00 0.00 54.79 55.21 3i89 n ASP 705 Cb 0.55 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.65 3i89 n ASP 705 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 3i89 n GLU 706 N -0.38 1.60 0.00 -1.24 4.07 -1.26 -5.00 120.64 118.44 3i89 n GLU 706 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 3i89 n GLU 706 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 3i89 n GLU 706 CO 0.00 0.00 0.00 -0.89 -0.06 0.00 0.00 177.13 176.18 3i89 n ILE 707 N 0.00 0.00 0.00 6.31 5.41 -1.26 -5.05 119.36 124.77 3i89 n ILE 707 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 3i89 n ILE 707 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 3i89 n ILE 707 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3i89 n GLN 708 N 0.00 0.00 0.10 0.38 10.64 -1.26 -4.71 117.38 122.53 3i89 n GLN 708 Ca 0.00 0.00 0.20 0.00 -1.83 0.00 0.00 57.00 55.37 3i89 n GLN 708 Cb 0.00 0.00 0.72 0.00 -0.86 0.00 0.00 30.24 30.10 3i89 n GLN 708 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.06 175.01 3i89 h LYS 709 N 0.00 0.00 -5.31 2.61 3.64 -1.95 -3.38 116.57 112.17 3i89 h LYS 709 Ca 0.00 0.00 -0.67 0.00 -1.27 0.00 0.00 60.65 58.71 3i89 h LYS 709 Cb 0.00 0.00 -0.32 0.00 -0.41 0.00 0.00 32.23 31.50 3i89 h LYS 709 CO 0.00 0.00 -0.85 -0.51 -2.27 0.00 0.00 179.45 175.82 3i89 s LEU 710 N -7.08 2.25 -0.06 5.20 1.43 -1.26 -0.41 118.68 118.75 3i89 s LEU 710 Ca -0.04 -0.51 -0.09 0.00 -1.03 0.00 0.00 54.13 52.46 3i89 s LEU 710 Cb 0.14 -1.47 -0.05 0.00 0.03 0.00 0.00 46.19 44.85 3i89 s LEU 710 CO 0.49 0.15 0.24 -2.28 0.23 0.00 0.00 176.35 175.18 3i89 s HIS 711 N 0.42 3.63 -0.14 0.29 5.65 -0.15 -4.85 115.29 120.14 3i89 s HIS 711 Ca -0.15 0.66 -0.00 0.00 0.25 0.00 0.00 55.06 55.81 3i89 s HIS 711 Cb -0.17 -2.04 0.03 0.00 -1.18 0.00 0.00 32.58 29.22 3i89 s HIS 711 CO 0.07 0.69 -0.08 0.42 -0.65 0.00 0.00 174.74 175.19 3i89 s ILE 712 N -1.11 1.15 0.01 0.89 1.01 -1.26 -1.35 121.20 120.55 3i89 s ILE 712 Ca 0.20 -0.48 -0.00 0.00 0.00 0.00 0.00 60.65 60.37 3i89 s ILE 712 Cb -0.13 -1.21 -0.04 0.00 0.01 0.00 0.00 42.46 41.09 3i89 s ILE 712 CO 0.09 0.29 0.11 -0.60 0.00 0.00 0.00 174.94 174.83 3i89 s ARG 713 N 1.64 3.13 0.01 2.79 3.52 0.84 -4.90 118.95 125.98 3i89 s ARG 713 Ca 0.03 -0.49 0.01 0.00 -0.13 0.00 0.00 55.73 55.16 3i89 s ARG 713 Cb -0.14 -2.90 -0.01 0.00 -1.56 0.00 0.00 34.95 30.35 3i89 s ARG 713 CO -0.08 0.64 -0.04 0.99 -0.81 0.00 0.00 175.30 175.99 3i89 s THR 714 N -1.28 0.33 -0.45 4.11 2.01 -1.26 0.19 115.64 119.30 3i89 s THR 714 Ca 0.26 -0.38 0.04 0.00 0.31 0.00 0.00 61.69 61.91 3i89 s THR 714 Cb -0.12 -0.32 0.12 0.00 0.01 0.00 0.00 72.50 72.19 3i89 s THR 714 CO 0.17 -0.04 0.18 -0.69 -0.69 0.00 0.00 174.62 173.56 3i89 s VAL 715 N -0.42 2.31 -0.29 3.82 1.01 0.19 -4.98 120.40 122.04 3i89 s VAL 715 Ca -0.02 -2.87 -0.42 0.00 0.00 0.00 0.00 61.98 58.67 3i89 s VAL 715 Cb -0.04 -2.64 -0.18 0.00 0.00 0.00 0.00 36.38 33.52 3i89 s VAL 715 CO -0.00 -0.74 1.59 -2.65 0.00 0.00 0.00 175.10 173.30 3i89 n PRO 716 N 3.58 0.65 -0.03 2.72 -0.02 -1.26 -1.38 135.00 139.26 3i89 n PRO 716 Ca 0.05 0.24 -0.04 0.00 -2.02 0.00 0.00 63.50 61.73 3i89 n PRO 716 Cb 0.36 -1.84 -0.13 0.00 -0.02 0.00 0.00 33.50 31.87 3i89 n PRO 716 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3i89 n LEU 717 N 4.22 0.43 0.00 2.45 4.77 -0.78 -4.88 117.00 123.22 3i89 n LEU 717 Ca 0.27 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.44 3i89 n LEU 717 Cb 0.07 0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 3i89 n LEU 717 CO 0.80 0.30 0.00 -1.22 -1.33 0.00 0.00 177.39 175.94 3i89 n TYR 718 N -2.78 0.00 -2.36 -1.77 4.02 -1.17 -1.40 117.16 111.70 3i89 n TYR 718 Ca -0.19 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.70 3i89 n TYR 718 Cb 0.96 -0.91 0.00 0.00 -0.02 0.00 0.00 39.34 39.37 3i89 n TYR 718 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 176.86 175.00 3i89 n GLU 719 N -1.20 0.00 -4.00 -0.72 0.28 -1.04 -4.07 120.64 109.89 3i89 n GLU 719 Ca 0.00 0.00 -0.31 0.00 -0.16 0.00 0.00 57.16 56.69 3i89 n GLU 719 Cb 0.22 0.00 -0.15 0.00 1.43 0.00 0.00 31.44 32.94 3i89 n GLU 719 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 3i89 s SER 720 N 1.52 4.70 0.63 -1.84 1.04 -0.98 -2.77 113.70 115.99 3i89 s SER 720 Ca 0.00 -2.24 -0.16 0.00 0.48 0.00 0.00 55.95 54.03 3i89 s SER 720 Cb 0.00 -1.61 -0.02 0.00 0.10 0.00 0.00 66.02 64.50 3i89 s SER 720 CO 0.00 -0.36 1.11 -2.16 0.98 0.00 0.00 173.24 172.81 3i89 s PRO 721 N 0.79 2.96 0.01 4.02 0.04 -1.26 -2.68 135.00 138.88 3i89 s PRO 721 Ca 0.12 1.44 0.00 0.00 0.04 0.00 0.00 61.00 62.60 3i89 s PRO 721 Cb -0.20 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.38 3i89 s PRO 721 CO -0.08 -1.14 0.00 0.54 0.04 0.00 0.00 177.00 176.37 3i89 n ARG 722 N -2.12 0.00 -4.52 4.56 5.12 -0.31 -4.73 116.66 114.66 3i89 n ARG 722 Ca 0.11 0.00 -0.25 0.00 -1.93 0.00 0.00 57.85 55.77 3i89 n ARG 722 Cb 0.52 -0.38 -0.09 0.00 -1.16 0.00 0.00 32.46 31.35 3i89 n ARG 722 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 3i89 s LYS 723 N -2.00 1.90 -0.29 5.56 -0.14 -1.24 -4.15 119.74 119.38 3i89 s LYS 723 Ca 0.00 -2.15 -0.14 0.00 -1.36 0.00 0.00 55.97 52.33 3i89 s LYS 723 Cb 0.00 -0.72 0.13 0.00 -1.68 0.00 0.00 37.83 35.56 3i89 s LYS 723 CO 0.00 -0.42 0.79 -1.50 -0.76 0.00 0.00 175.35 173.46 3i89 s ILE 724 N -3.21 -0.44 0.34 2.17 2.07 -1.26 -2.55 121.20 118.32 3i89 s ILE 724 Ca 0.25 0.00 0.09 0.00 -1.41 0.00 0.00 60.65 59.58 3i89 s ILE 724 Cb 0.04 -1.00 -0.07 0.00 0.13 0.00 0.00 42.46 41.56 3i89 s ILE 724 CO 0.14 0.00 -0.08 0.00 -1.91 0.00 0.00 174.94 173.09 3i89 s TYR 726 N -2.66 1.95 -0.85 0.00 5.04 -1.26 -2.11 117.35 117.45 3i89 s TYR 726 Ca 0.32 -1.99 -0.25 0.00 -2.44 0.00 0.00 57.07 52.71 3i89 s TYR 726 Cb 0.03 -1.86 0.03 0.00 0.35 0.00 0.00 41.96 40.51 3i89 s TYR 726 CO 0.16 -0.87 1.45 -1.14 -1.34 0.00 0.00 175.55 173.81 3i89 s GLN 727 N 1.30 3.26 0.09 4.97 0.74 -0.91 -4.90 119.66 124.20 3i89 s GLN 727 Ca 0.12 -0.53 -0.06 0.00 0.05 0.00 0.00 55.36 54.94 3i89 s GLN 727 Cb -0.19 -4.74 -0.23 0.00 1.10 0.00 0.00 33.01 28.95 3i89 s GLN 727 CO -0.18 -2.32 1.17 1.49 -0.55 0.00 0.00 175.29 174.91 3i89 h GLU 728 N 10.44 0.35 0.00 1.67 4.81 -1.96 -2.02 114.58 127.87 3i89 h GLU 728 Ca -0.06 -0.52 -0.00 0.00 -0.13 0.00 0.00 59.36 58.65 3i89 h GLU 728 Cb 1.04 0.18 -0.00 0.00 0.63 0.00 0.00 28.75 30.60 3i89 h GLU 728 CO 1.33 1.22 -0.02 -0.39 -0.73 0.00 0.00 179.01 180.41 3i89 h VAL 729 N 0.14 0.68 -0.20 0.32 -1.51 -1.94 0.83 116.25 114.57 3i89 h VAL 729 Ca -0.13 -0.09 0.00 0.00 -1.23 0.00 0.00 66.70 65.25 3i89 h VAL 729 Cb 1.87 1.06 0.00 0.00 -2.13 0.00 0.00 31.29 32.09 3i89 h VAL 729 CO 0.20 0.02 0.00 -1.20 -1.23 0.00 0.00 177.57 175.36 3i89 n SER 730 N -4.03 1.98 -4.13 4.19 7.64 -1.06 -4.97 113.62 113.24 3i89 n SER 730 Ca -0.03 -1.76 -0.30 0.00 1.01 0.00 0.00 58.87 57.79 3i89 n SER 730 Cb 0.11 -0.13 -0.05 0.00 -1.01 0.00 0.00 64.21 63.14 3i89 n SER 730 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i89 n GLN 731 N 0.53 -2.47 -3.80 1.43 1.13 0.29 -4.95 117.38 109.53 3i89 n GLN 731 Ca 0.17 0.30 -0.09 0.00 -1.94 0.00 0.00 57.00 55.43 3i89 n GLN 731 Cb 0.38 -4.36 -0.04 0.00 0.11 0.00 0.00 30.24 26.32 3i89 n GLN 731 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3i89 s PHE 733 N -3.90 3.37 -0.11 0.00 2.99 0.14 -2.14 117.98 118.32 3i89 s PHE 733 Ca 0.12 0.27 -0.05 0.00 0.00 0.00 0.00 56.93 57.27 3i89 s PHE 733 Cb -0.01 -1.78 -0.04 0.00 0.00 0.00 0.00 43.02 41.19 3i89 s PHE 733 CO -0.00 0.59 0.06 0.20 -0.00 0.00 0.00 175.22 176.06 3i89 s GLY 734 N -1.65 1.98 -0.02 4.36 0.00 -0.90 0.35 107.32 111.43 3i89 s GLY 734 Ca 0.22 -0.73 0.00 0.00 0.00 0.00 0.00 44.72 44.21 3i89 s GLY 734 CO 0.13 -0.41 0.01 0.14 0.00 0.00 0.00 173.10 172.98 3i89 s VAL 735 N -0.75 0.04 0.29 1.40 1.01 -0.56 -1.23 120.40 120.61 3i89 s VAL 735 Ca 0.12 0.14 -0.24 0.00 0.00 0.00 0.00 61.98 62.01 3i89 s VAL 735 Cb -0.12 -0.15 -0.09 0.00 0.00 0.00 0.00 36.38 36.02 3i89 s VAL 735 CO 0.03 0.10 0.87 -0.76 0.00 0.00 0.00 175.10 175.34 3i89 s LEU 736 N 0.94 4.33 0.17 3.92 1.43 -1.06 -0.78 118.68 127.64 3i89 s LEU 736 Ca -0.08 1.69 -0.07 0.00 -1.03 0.00 0.00 54.13 54.64 3i89 s LEU 736 Cb -0.12 -3.89 -0.02 0.00 0.03 0.00 0.00 46.19 42.20 3i89 s LEU 736 CO -0.02 -0.04 0.24 -0.94 0.23 0.00 0.00 176.35 175.81 3i89 s SER 737 N -1.64 0.10 -0.25 2.29 1.04 0.95 -1.17 113.70 115.02 3i89 s SER 737 Ca 0.48 -1.00 -0.15 0.00 0.48 0.00 0.00 55.95 55.76 3i89 s SER 737 Cb -0.18 0.41 0.07 0.00 0.10 0.00 0.00 66.02 66.43 3i89 s SER 737 CO 0.23 -0.87 0.62 -0.55 0.98 0.00 0.00 173.24 173.64 3i89 s SER 738 N -3.01 -0.82 0.20 7.02 0.15 -1.09 -1.67 113.70 114.48 3i89 s SER 738 Ca 0.21 1.35 0.09 0.00 0.70 0.00 0.00 55.95 58.30 3i89 s SER 738 Cb 0.04 1.24 -0.05 0.00 -1.71 0.00 0.00 66.02 65.54 3i89 s SER 738 CO 0.02 -0.23 -0.17 0.00 1.20 0.00 0.00 173.24 174.06 3i89 s ARG 739 N 1.47 1.39 0.64 5.44 1.70 0.13 -2.33 118.95 127.39 3i89 s ARG 739 Ca -0.09 -1.55 -0.02 0.00 -0.47 0.00 0.00 55.73 53.59 3i89 s ARG 739 Cb -0.06 -1.36 0.06 0.00 -0.57 0.00 0.00 34.95 33.02 3i89 s ARG 739 CO -0.16 0.26 0.91 0.42 -1.08 0.00 0.00 175.30 175.64 3i89 s ILE 740 N -2.48 2.42 0.04 4.99 1.01 -1.26 0.22 121.20 126.15 3i89 s ILE 740 Ca 0.21 -0.49 -0.28 0.00 0.00 0.00 0.00 60.65 60.10 3i89 s ILE 740 Cb -0.04 -2.94 0.09 0.00 0.01 0.00 0.00 42.46 39.59 3i89 s ILE 740 CO 0.08 0.00 0.97 -1.61 0.00 0.00 0.00 174.94 174.39 3i89 s GLU 741 N -5.03 0.89 0.13 2.79 2.02 -0.57 -4.63 118.70 114.31 3i89 s GLU 741 Ca 0.60 -0.42 0.08 0.00 0.02 0.00 0.00 54.97 55.25 3i89 s GLU 741 Cb -0.10 0.35 -0.04 0.00 0.10 0.00 0.00 34.13 34.45 3i89 s GLU 741 CO 0.42 -0.40 -0.19 0.14 0.02 0.00 0.00 175.26 175.25 3i89 s VAL 742 N -3.07 1.73 0.74 2.63 -7.23 -1.26 -2.05 120.40 111.88 3i89 s VAL 742 Ca 0.09 -1.72 -0.16 0.00 -1.81 0.00 0.00 61.98 58.38 3i89 s VAL 742 Cb -0.01 -1.68 -0.05 0.00 0.56 0.00 0.00 36.38 35.21 3i89 s VAL 742 CO -0.04 -0.20 0.42 0.00 -0.31 0.00 0.00 175.10 174.97 3i89 n GLN 743 N 0.69 0.23 -3.78 4.82 10.64 0.39 -2.45 117.38 127.92 3i89 n GLN 743 Ca -0.16 0.11 -0.26 0.00 -1.83 0.00 0.00 57.00 54.86 3i89 n GLN 743 Cb 0.55 -1.74 0.00 0.00 -0.86 0.00 0.00 30.24 28.19 3i89 n GLN 743 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 3i89 n ASP 744 N -0.03 2.73 0.07 2.61 8.00 0.77 -4.09 116.55 126.62 3i89 n ASP 744 Ca 0.09 -2.85 -0.09 0.00 0.71 0.00 0.00 54.79 52.65 3i89 n ASP 744 Cb 0.50 -0.04 0.02 0.00 -0.02 0.00 0.00 41.12 41.59 3i89 n ASP 744 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 3i89 h THR 745 N 0.67 1.43 0.00 -3.53 1.35 -1.96 -2.97 112.91 107.90 3i89 h THR 745 Ca -0.34 -2.34 0.00 0.00 -0.55 0.00 0.00 66.41 63.18 3i89 h THR 745 Cb 1.25 2.27 0.00 0.00 -1.73 0.00 0.00 68.15 69.94 3i89 h THR 745 CO 0.53 0.69 0.00 0.77 -0.25 0.00 0.00 175.52 177.27 3i89 h SER 746 N 0.18 0.00 0.00 5.36 4.64 -2.02 -3.47 113.55 118.24 3i89 h SER 746 Ca -0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 3i89 h SER 746 Cb 1.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.47 3i89 h SER 746 CO 0.13 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.70 3i89 n GLY 747 N -0.21 3.17 0.20 -0.77 0.00 -1.12 -5.06 105.19 101.40 3i89 n GLY 747 Ca 0.00 -0.87 -0.02 0.00 0.00 0.00 0.00 46.02 45.14 3i89 n GLY 747 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i89 n GLY 748 N 0.00 -3.37 3.23 -0.02 0.00 -1.26 -2.58 105.19 101.18 3i89 n GLY 748 Ca 0.00 -1.11 -0.33 0.00 0.00 0.00 0.00 46.02 44.58 3i89 n GLY 748 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3i89 s THR 749 N -0.97 2.52 0.00 2.61 -4.23 -1.26 -0.16 115.64 114.14 3i89 s THR 749 Ca 0.04 -0.81 0.00 0.00 -1.18 0.00 0.00 61.69 59.74 3i89 s THR 749 Cb -0.01 -2.06 0.00 0.00 1.34 0.00 0.00 72.50 71.77 3i89 s THR 749 CO 0.03 0.52 0.00 0.35 -0.54 0.00 0.00 174.62 174.98 3i89 n THR 750 N 4.23 0.00 -1.69 3.99 -2.24 -1.02 -4.90 114.28 112.64 3i89 n THR 750 Ca -0.19 0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 3i89 n THR 750 Cb 0.51 -0.24 0.00 0.00 -2.10 0.00 0.00 70.33 68.50 3i89 n THR 750 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i89 n ALA 751 N -3.00 0.00 -0.44 6.98 0.00 -1.26 -4.83 120.51 117.96 3i89 n ALA 751 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i89 n ALA 751 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3i89 n ALA 751 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3i89 n LEU 752 N 0.00 0.00 -3.57 0.00 4.77 -1.26 -4.55 117.00 112.39 3i89 n LEU 752 Ca 0.00 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.92 3i89 n LEU 752 Cb 0.00 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 3i89 n LEU 752 CO 0.00 0.01 0.91 0.00 -1.33 0.00 0.00 177.39 176.97 3i89 s ARG 753 N 0.00 0.46 0.44 3.23 1.70 -1.26 -5.15 118.95 118.37 3i89 s ARG 753 Ca 0.00 -0.12 -0.25 0.00 -0.47 0.00 0.00 55.73 54.90 3i89 s ARG 753 Cb 0.00 0.21 -0.08 0.00 -0.57 0.00 0.00 34.95 34.51 3i89 s ARG 753 CO 0.00 -0.19 1.32 -1.25 -1.08 0.00 0.00 175.30 174.11 3i89 s PRO 754 N -2.31 3.75 0.23 3.89 0.04 -1.26 -5.01 135.00 134.33 3i89 s PRO 754 Ca 0.07 2.19 0.05 0.00 0.04 0.00 0.00 61.00 63.34 3i89 s PRO 754 Cb -0.01 -2.61 -0.05 0.00 0.04 0.00 0.00 34.50 31.86 3i89 s PRO 754 CO -0.05 -0.69 -0.04 -1.12 0.04 0.00 0.00 177.00 175.14 3i89 s SER 755 N -0.79 2.16 0.65 6.66 0.01 -1.26 -4.91 113.70 116.21 3i89 s SER 755 Ca 0.61 -1.17 0.21 0.00 1.31 0.00 0.00 55.95 56.90 3i89 s SER 755 Cb -0.39 -0.06 1.06 0.00 0.21 0.00 0.00 66.02 66.85 3i89 s SER 755 CO 0.49 -0.42 1.59 0.00 0.41 0.00 0.00 173.24 175.31 3i89 h ALA 756 N 2.45 1.83 0.00 1.44 0.00 -1.53 -0.50 119.26 122.96 3i89 h ALA 756 Ca -0.39 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3i89 h ALA 756 Cb 1.22 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3i89 h ALA 756 CO 0.65 -0.74 -0.72 -1.13 0.00 0.00 0.00 179.25 177.32 3i89 n SER 757 N -2.95 0.72 -0.10 0.00 3.41 -1.26 -3.89 113.62 109.55 3i89 n SER 757 Ca 0.03 -0.84 -0.14 0.00 -0.26 0.00 0.00 58.87 57.66 3i89 n SER 757 Cb 0.73 1.01 -0.14 0.00 -0.26 0.00 0.00 64.21 65.54 3i89 n SER 757 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3i89 n THR 758 N -1.36 1.48 0.64 6.66 -2.24 -0.45 -4.20 114.28 114.80 3i89 n THR 758 Ca 0.03 -0.73 0.01 0.00 -2.27 0.00 0.00 64.05 61.08 3i89 n THR 758 Cb 0.24 -0.96 0.07 0.00 -2.10 0.00 0.00 70.33 67.58 3i89 n THR 758 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i89 n GLN 759 N -3.02 1.68 -2.36 -0.78 1.13 -0.32 -4.92 117.38 108.79 3i89 n GLN 759 Ca -0.36 -0.59 -0.37 0.00 -1.94 0.00 0.00 57.00 53.74 3i89 n GLN 759 Cb 1.08 -1.60 -0.02 0.00 0.11 0.00 0.00 30.24 29.81 3i89 n GLN 759 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3i89 s ALA 760 N -1.25 3.00 0.08 -1.58 0.00 -1.25 -4.97 121.76 115.79 3i89 s ALA 760 Ca 0.10 0.85 -0.26 0.00 0.00 0.00 0.00 51.96 52.65 3i89 s ALA 760 Cb 0.08 -3.34 -0.16 0.00 0.00 0.00 0.00 23.12 19.69 3i89 s ALA 760 CO 0.03 -0.51 1.70 -0.07 0.00 0.00 0.00 175.76 176.91 3i89 h LEU 761 N 2.16 -0.25 0.00 0.00 3.38 -1.05 -3.45 115.31 116.11 3i89 h LEU 761 Ca -0.49 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.49 3i89 h LEU 761 Cb 1.24 0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.05 3i89 h LEU 761 CO 0.61 -0.18 0.00 -1.54 0.09 0.00 0.00 178.44 177.42 3i89 n SER 762 N -5.22 0.96 0.00 -0.43 3.41 -0.88 -5.04 113.62 106.43 3i89 n SER 762 Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.52 3i89 n SER 762 Cb 0.14 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.09 3i89 n SER 762 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3i89 n SER 763 N 0.00 0.00 -2.94 4.04 3.41 -1.26 -3.96 113.62 112.91 3i89 n SER 763 Ca 0.00 0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.44 3i89 n SER 763 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 3i89 n SER 763 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3i89 n SER 764 N 0.00 -0.42 -3.55 4.04 7.64 0.27 -4.90 113.62 116.70 3i89 n SER 764 Ca 0.00 -2.84 -0.17 0.00 1.01 0.00 0.00 58.87 56.87 3i89 n SER 764 Cb 0.00 1.35 -0.06 0.00 -1.01 0.00 0.00 64.21 64.49 3i89 n SER 764 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3i89 s VAL 765 N -3.11 0.00 0.11 0.44 0.11 -1.26 -2.42 120.40 114.27 3i89 s VAL 765 Ca 0.32 0.00 -0.31 0.00 -2.93 0.00 0.00 61.98 59.06 3i89 s VAL 765 Cb 0.02 -1.00 -0.07 0.00 -1.53 0.00 0.00 36.38 33.79 3i89 s VAL 765 CO 0.23 0.00 1.30 -0.44 -3.33 0.00 0.00 175.10 172.86 3i89 s SER 766 N -0.80 6.94 -0.16 3.54 0.01 -0.17 -4.90 113.70 118.16 3i89 s SER 766 Ca -0.08 2.22 -0.12 0.00 1.31 0.00 0.00 55.95 59.27 3i89 s SER 766 Cb -0.01 -2.59 -0.07 0.00 0.21 0.00 0.00 66.02 63.56 3i89 s SER 766 CO 0.08 -0.56 -0.08 -1.54 0.41 0.00 0.00 173.24 171.55 3i89 n SER 767 N 3.70 1.82 0.00 2.44 3.41 -1.26 -4.85 113.62 118.89 3i89 n SER 767 Ca 0.10 0.58 0.00 0.00 -0.26 0.00 0.00 58.87 59.28 3i89 n SER 767 Cb 0.44 -0.90 0.00 0.00 -0.26 0.00 0.00 64.21 63.49 3i89 n SER 767 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3i89 n SER 768 N -4.57 0.00 -0.08 4.04 2.88 -1.26 -4.93 113.62 109.70 3i89 n SER 768 Ca -0.14 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.48 3i89 n SER 768 Cb 0.38 0.00 0.11 0.00 -0.75 0.00 0.00 64.21 63.95 3i89 n SER 768 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3i89 n LYS 769 N 0.00 1.47 0.00 -1.46 4.76 -1.26 -4.85 118.16 116.83 3i89 n LYS 769 Ca 0.00 -2.28 0.00 0.00 -2.87 0.00 0.00 58.31 53.16 3i89 n LYS 769 Cb 0.00 -1.34 0.00 0.00 -1.84 0.00 0.00 35.03 31.85 3i89 n LYS 769 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3i89 n LEU 770 N -1.18 0.00 -4.50 -0.35 4.77 -1.26 -4.64 117.00 109.84 3i89 n LEU 770 Ca 0.12 0.36 -0.24 0.00 -0.03 0.00 0.00 56.01 56.22 3i89 n LEU 770 Cb 0.58 -0.36 -0.11 0.00 -2.33 0.00 0.00 43.42 41.21 3i89 n LEU 770 CO 0.01 -0.36 -0.27 -0.36 -1.33 0.00 0.00 177.39 175.08 3i89 s PHE 771 N -2.69 2.09 0.00 -1.77 0.40 -1.26 -5.11 117.98 109.65 3i89 s PHE 771 Ca 0.00 -0.90 0.00 0.00 -0.60 0.00 0.00 56.93 55.43 3i89 s PHE 771 Cb 0.00 -1.41 0.00 0.00 0.51 0.00 0.00 43.02 42.12 3i89 s PHE 771 CO 0.00 0.11 0.00 0.43 0.70 0.00 0.00 175.22 176.46 3i89 n SER 772 N -0.80 0.00 0.00 1.36 7.64 -1.26 -5.22 113.62 115.34 3i89 n SER 772 Ca -0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.85 3i89 n SER 772 Cb 0.67 0.17 0.00 0.00 -1.01 0.00 0.00 64.21 64.03 3i89 n SER 772 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3i89 n SER 773 N -2.44 0.00 0.00 6.43 3.41 -1.26 -5.29 113.62 114.47 3i89 n SER 773 Ca 0.00 0.81 0.00 0.00 -0.26 0.00 0.00 58.87 59.42 3i89 n SER 773 Cb 0.00 -0.31 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 3i89 n SER 773 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i89 n GLY 783 N -0.97 2.05 3.69 5.00 0.00 -1.26 -5.37 105.19 108.34 3i89 n GLY 783 Ca 0.00 0.42 -0.63 0.00 0.00 0.00 0.00 46.02 45.81 3i89 n GLY 783 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i89 n GLU 784 N 3.77 0.35 -3.64 1.61 1.02 -1.26 -4.55 120.64 117.93 3i89 n GLU 784 Ca 0.00 0.13 -0.32 0.00 -0.02 0.00 0.00 57.16 56.94 3i89 n GLU 784 Cb 0.00 -1.68 -0.05 0.00 -0.02 0.00 0.00 31.44 29.69 3i89 n GLU 784 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3i89 s GLU 785 N 2.53 3.65 0.17 3.49 2.02 -1.26 -0.47 118.70 128.83 3i89 s GLU 785 Ca 1.00 -0.02 -0.11 0.00 0.02 0.00 0.00 54.97 55.87 3i89 s GLU 785 Cb -1.33 -2.88 0.00 0.00 0.10 0.00 0.00 34.13 30.02 3i89 s GLU 785 CO 0.72 0.49 0.33 0.54 0.02 0.00 0.00 175.26 177.36 3i89 s VAL 786 N -1.60 0.06 0.07 2.63 0.11 -0.87 -4.98 120.40 115.82 3i89 s VAL 786 Ca 0.39 -1.24 0.01 0.00 -2.93 0.00 0.00 61.98 58.21 3i89 s VAL 786 Cb -0.12 -1.76 -0.04 0.00 -1.53 0.00 0.00 36.38 32.93 3i89 s VAL 786 CO 0.23 -0.27 0.17 -1.61 -3.33 0.00 0.00 175.10 170.29 3i89 s GLU 787 N -3.94 3.28 -0.05 1.54 2.02 -1.26 -1.51 118.70 118.78 3i89 s GLU 787 Ca 0.15 -0.52 0.02 0.00 0.02 0.00 0.00 54.97 54.65 3i89 s GLU 787 Cb 0.02 -2.95 0.01 0.00 0.10 0.00 0.00 34.13 31.32 3i89 s GLU 787 CO -0.01 0.60 -0.11 0.08 0.02 0.00 0.00 175.26 175.83 3i89 s VAL 788 N -1.48 1.03 -0.03 2.63 1.01 0.59 -4.73 120.40 119.43 3i89 s VAL 788 Ca 0.33 -0.44 0.05 0.00 0.00 0.00 0.00 61.98 61.93 3i89 s VAL 788 Cb -0.13 -0.95 -0.02 0.00 0.00 0.00 0.00 36.38 35.28 3i89 s VAL 788 CO 0.26 0.33 -0.19 -1.00 0.00 0.00 0.00 175.10 174.50 3i89 s HIS 789 N 0.57 2.55 0.03 5.22 3.76 -1.26 0.21 115.29 126.38 3i89 s HIS 789 Ca -0.12 -0.27 0.03 0.00 -0.15 0.00 0.00 55.06 54.56 3i89 s HIS 789 Cb -0.14 -1.57 -0.02 0.00 1.11 0.00 0.00 32.58 31.96 3i89 s HIS 789 CO 0.03 0.11 -0.10 -0.80 -0.85 0.00 0.00 174.74 173.12 3i89 s ASN 790 N -0.74 1.18 0.40 1.40 0.01 -0.67 -1.40 114.94 115.13 3i89 s ASN 790 Ca 0.11 -0.43 -0.21 0.00 -0.71 0.00 0.00 52.86 51.62 3i89 s ASN 790 Cb -0.10 -0.05 -0.11 0.00 0.41 0.00 0.00 41.25 41.40 3i89 s ASN 790 CO 0.00 -0.05 0.93 -0.22 -1.51 0.00 0.00 177.10 176.25 3i89 s LEU 791 N -1.14 4.02 0.05 0.60 2.96 -0.83 -0.04 118.68 124.30 3i89 s LEU 791 Ca -0.03 1.68 0.03 0.00 -0.22 0.00 0.00 54.13 55.59 3i89 s LEU 791 Cb -0.08 -4.41 -0.03 0.00 0.50 0.00 0.00 46.19 42.18 3i89 s LEU 791 CO 0.01 -0.29 -0.09 -0.76 -1.32 0.00 0.00 176.35 173.90 3i89 s LEU 792 N -2.96 2.29 -0.18 -0.68 1.43 0.04 -2.20 118.68 116.42 3i89 s LEU 792 Ca 0.59 -0.61 0.01 0.00 -1.03 0.00 0.00 54.13 53.10 3i89 s LEU 792 Cb -0.11 -0.21 0.03 0.00 0.03 0.00 0.00 46.19 45.93 3i89 s LEU 792 CO 0.15 -0.21 -0.15 -0.63 0.23 0.00 0.00 176.35 175.74 3i89 s ILE 793 N -1.59 1.82 -0.19 -0.59 -1.09 -0.47 -1.49 121.20 117.59 3i89 s ILE 793 Ca -0.07 -0.92 -0.03 0.00 -2.23 0.00 0.00 60.65 57.40 3i89 s ILE 793 Cb -0.08 -1.74 -0.02 0.00 -1.58 0.00 0.00 42.46 39.04 3i89 s ILE 793 CO 0.00 0.38 -0.05 -0.63 -1.23 0.00 0.00 174.94 173.42 3i89 s ILE 794 N 1.36 3.52 0.13 2.92 1.09 0.15 0.38 121.20 130.75 3i89 s ILE 794 Ca 0.02 -0.46 -0.32 0.00 -1.10 0.00 0.00 60.65 58.79 3i89 s ILE 794 Cb -0.14 -2.57 -0.12 0.00 -1.06 0.00 0.00 42.46 38.57 3i89 s ILE 794 CO -0.10 0.45 1.76 -0.67 -0.10 0.00 0.00 174.94 176.28 3i89 n ASP 795 N 4.29 3.76 0.05 3.58 -0.08 -0.65 -0.69 116.55 126.81 3i89 n ASP 795 Ca -0.18 1.02 0.09 0.00 -1.51 0.00 0.00 54.79 54.21 3i89 n ASP 795 Cb 0.52 -1.51 0.38 0.00 2.34 0.00 0.00 41.12 42.85 3i89 n ASP 795 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3i89 n GLN 796 N 4.90 0.07 -0.11 -0.67 10.64 -1.02 -0.74 117.38 130.45 3i89 n GLN 796 Ca 0.18 0.31 -0.17 0.00 -1.83 0.00 0.00 57.00 55.48 3i89 n GLN 796 Cb 0.34 -1.64 -0.09 0.00 -0.86 0.00 0.00 30.24 27.99 3i89 n GLN 796 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 3i89 n HIS 797 N -1.78 0.00 0.50 2.61 8.25 -1.26 -4.61 115.22 118.93 3i89 n HIS 797 Ca 0.03 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.60 3i89 n HIS 797 Cb 0.20 -0.81 -0.05 0.00 1.12 0.00 0.00 29.99 30.44 3i89 n HIS 797 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3i89 n THR 798 N -3.37 0.11 -3.91 1.59 -2.24 -1.24 -5.00 114.28 100.23 3i89 n THR 798 Ca -0.39 -0.27 -0.25 0.00 -2.27 0.00 0.00 64.05 60.87 3i89 n THR 798 Cb 0.87 0.30 -0.01 0.00 -2.10 0.00 0.00 70.33 69.39 3i89 n THR 798 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3i89 n PHE 799 N -1.97 -1.69 -3.95 4.78 3.01 0.08 -4.99 117.46 112.73 3i89 n PHE 799 Ca 0.01 0.76 -0.34 0.00 1.01 0.00 0.00 57.45 58.89 3i89 n PHE 799 Cb 0.45 -3.85 -0.06 0.00 -0.01 0.00 0.00 39.48 36.02 3i89 n PHE 799 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 3i89 s GLU 800 N -6.46 3.35 -1.04 -1.08 2.02 -1.26 -4.87 118.70 109.36 3i89 s GLU 800 Ca 0.01 -0.33 -0.25 0.00 0.02 0.00 0.00 54.97 54.43 3i89 s GLU 800 Cb -0.01 -3.05 -0.12 0.00 0.10 0.00 0.00 34.13 31.05 3i89 s GLU 800 CO 0.88 0.69 2.04 0.08 0.02 0.00 0.00 175.26 178.97 3i89 s VAL 801 N -1.24 3.33 0.00 2.63 1.01 -1.26 -1.64 120.40 123.23 3i89 s VAL 801 Ca 0.24 -0.46 0.00 0.00 0.00 0.00 0.00 61.98 61.76 3i89 s VAL 801 Cb -0.12 -4.09 0.00 0.00 0.00 0.00 0.00 36.38 32.17 3i89 s VAL 801 CO 0.15 -0.63 0.65 0.18 0.00 0.00 0.00 175.10 175.45 3i89 n LEU 802 N 16.13 0.00 -4.69 3.92 4.77 0.16 -2.00 117.00 135.29 3i89 n LEU 802 Ca 0.43 0.65 -0.23 0.00 -0.03 0.00 0.00 56.01 56.83 3i89 n LEU 802 Cb 0.46 -0.15 -0.07 0.00 -2.33 0.00 0.00 43.42 41.34 3i89 n LEU 802 CO 0.62 -0.15 -0.28 -2.28 -1.33 0.00 0.00 177.39 173.97 3i89 s HIS 803 N -1.59 2.76 -0.07 -1.77 5.04 -1.23 -2.06 115.29 116.37 3i89 s HIS 803 Ca 0.00 -0.23 0.00 0.00 -1.54 0.00 0.00 55.06 53.29 3i89 s HIS 803 Cb 0.00 -1.30 0.02 0.00 0.04 0.00 0.00 32.58 31.34 3i89 s HIS 803 CO 0.00 0.56 -0.05 0.00 -2.34 0.00 0.00 174.74 172.91 3i89 s ALA 804 N -2.31 0.91 -0.35 1.58 0.00 -1.25 -1.37 121.76 118.96 3i89 s ALA 804 Ca 0.33 -0.24 -0.13 0.00 0.00 0.00 0.00 51.96 51.92 3i89 s ALA 804 Cb -0.06 -0.66 -0.01 0.00 0.00 0.00 0.00 23.12 22.38 3i89 s ALA 804 CO 0.21 -0.24 0.25 -1.58 0.00 0.00 0.00 175.76 174.40 3i89 s HIS 805 N 1.42 3.23 0.11 0.00 5.04 -0.93 0.94 115.29 125.10 3i89 s HIS 805 Ca -0.02 -0.23 -0.28 0.00 -1.54 0.00 0.00 55.06 52.98 3i89 s HIS 805 Cb -0.13 -2.49 -0.06 0.00 0.04 0.00 0.00 32.58 29.93 3i89 s HIS 805 CO -0.03 -0.38 0.87 -1.14 -2.34 0.00 0.00 174.74 171.72 3i89 s GLN 806 N 1.73 4.63 0.71 2.88 0.74 -1.02 -1.97 119.66 127.36 3i89 s GLN 806 Ca 0.06 1.29 -0.04 0.00 0.05 0.00 0.00 55.36 56.72 3i89 s GLN 806 Cb -0.17 -3.35 0.10 0.00 1.10 0.00 0.00 33.01 30.69 3i89 s GLN 806 CO 0.11 0.32 1.00 -0.06 -0.55 0.00 0.00 175.29 176.10 3i89 s PHE 807 N -0.30 2.23 1.04 1.67 0.40 -0.49 -1.00 117.98 121.53 3i89 s PHE 807 Ca 0.42 0.06 -0.16 0.00 -0.60 0.00 0.00 56.93 56.66 3i89 s PHE 807 Cb -0.23 -3.16 0.08 0.00 0.51 0.00 0.00 43.02 40.23 3i89 s PHE 807 CO 0.27 -1.58 0.25 1.28 0.70 0.00 0.00 175.22 176.14 3i89 n LEU 808 N -2.89 -1.23 -4.55 -0.37 4.77 -1.26 -4.70 117.00 106.76 3i89 n LEU 808 Ca 0.12 0.09 -0.39 0.00 -0.03 0.00 0.00 56.01 55.79 3i89 n LEU 808 Cb 0.60 -1.09 -0.03 0.00 -2.33 0.00 0.00 43.42 40.57 3i89 n LEU 808 CO 0.46 -3.33 1.37 -1.58 -1.33 0.00 0.00 177.39 172.99 3i89 s GLN 809 N -3.59 2.97 0.00 3.23 0.74 -1.26 -3.03 119.66 118.72 3i89 s GLN 809 Ca 0.57 0.00 0.00 0.00 0.05 0.00 0.00 55.36 55.98 3i89 s GLN 809 Cb -0.17 -4.41 0.00 0.00 1.10 0.00 0.00 33.01 29.53 3i89 s GLN 809 CO 0.67 -2.45 0.00 0.09 -0.55 0.00 0.00 175.29 173.04 3i89 n ASN 810 N 10.90 0.00 -4.35 6.67 3.02 -1.26 -5.05 115.26 125.19 3i89 n ASN 810 Ca 0.14 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.37 3i89 n ASN 810 Cb 0.50 0.00 -0.15 0.00 -0.61 0.00 0.00 39.78 39.52 3i89 n ASN 810 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3i89 s GLU 811 N -0.13 2.63 -0.13 3.52 2.12 -1.17 -2.59 118.70 122.94 3i89 s GLU 811 Ca 0.00 -0.81 -0.03 0.00 0.36 0.00 0.00 54.97 54.49 3i89 s GLU 811 Cb 0.00 -2.28 -0.03 0.00 0.26 0.00 0.00 34.13 32.08 3i89 s GLU 811 CO 0.00 0.44 -0.03 0.71 -0.54 0.00 0.00 175.26 175.84 3i89 s TYR 812 N -0.29 3.05 -0.25 5.30 4.12 -0.30 -4.50 117.35 124.49 3i89 s TYR 812 Ca 0.01 -0.16 -0.18 0.00 0.02 0.00 0.00 57.07 56.77 3i89 s TYR 812 Cb -0.13 -1.90 -0.03 0.00 -1.52 0.00 0.00 41.96 38.38 3i89 s TYR 812 CO 0.03 0.10 0.49 0.00 0.02 0.00 0.00 175.55 176.19 3i89 s ALA 813 N 0.01 3.58 -0.03 3.71 0.00 -1.26 -0.51 121.76 127.25 3i89 s ALA 813 Ca 0.01 -0.58 0.07 0.00 0.00 0.00 0.00 51.96 51.46 3i89 s ALA 813 Cb -0.13 -2.84 -0.10 0.00 0.00 0.00 0.00 23.12 20.04 3i89 s ALA 813 CO 0.02 -0.65 0.11 1.28 0.00 0.00 0.00 175.76 176.53 3i89 n LEU 814 N 5.30 0.00 -4.24 0.00 4.77 0.37 -4.90 117.00 118.30 3i89 n LEU 814 Ca -0.05 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.75 3i89 n LEU 814 Cb 0.50 0.07 -0.11 0.00 -2.33 0.00 0.00 43.42 41.55 3i89 n LEU 814 CO 0.40 0.07 -0.45 -0.94 -1.33 0.00 0.00 177.39 175.15 3i89 s SER 815 N -3.29 1.98 -0.17 -1.43 1.04 -1.14 -4.89 113.70 105.81 3i89 s SER 815 Ca -0.03 -0.83 -0.10 0.00 0.48 0.00 0.00 55.95 55.47 3i89 s SER 815 Cb 0.04 -0.06 0.06 0.00 0.10 0.00 0.00 66.02 66.15 3i89 s SER 815 CO 0.30 -0.16 0.41 -0.22 0.98 0.00 0.00 173.24 174.56 3i89 s LEU 816 N -2.51 -0.04 0.13 2.42 2.96 -1.26 -2.58 118.68 117.80 3i89 s LEU 816 Ca 0.09 0.89 0.04 0.00 -0.22 0.00 0.00 54.13 54.93 3i89 s LEU 816 Cb -0.04 1.36 -0.04 0.00 0.50 0.00 0.00 46.19 47.97 3i89 s LEU 816 CO 0.03 -0.19 -0.09 0.68 -1.32 0.00 0.00 176.35 175.46 3i89 s VAL 817 N 1.27 1.02 -0.25 1.68 -7.23 -0.70 -4.84 120.40 111.35 3i89 s VAL 817 Ca -0.08 -1.97 0.00 0.00 -1.81 0.00 0.00 61.98 58.12 3i89 s VAL 817 Cb -0.08 -1.74 0.07 0.00 0.56 0.00 0.00 36.38 35.19 3i89 s VAL 817 CO -0.11 -0.75 -0.01 -0.55 -0.31 0.00 0.00 175.10 173.36 3i89 s SER 818 N -3.04 3.80 0.21 4.85 0.15 -1.26 -1.44 113.70 116.96 3i89 s SER 818 Ca 0.14 -1.26 -0.14 0.00 0.70 0.00 0.00 55.95 55.39 3i89 s SER 818 Cb 0.02 -1.08 0.01 0.00 -1.71 0.00 0.00 66.02 63.26 3i89 s SER 818 CO -0.01 -0.28 0.45 0.00 1.20 0.00 0.00 173.24 174.60 3i89 s LYS 820 N -3.95 3.79 0.05 0.00 1.02 -1.26 -0.30 119.74 119.09 3i89 s LYS 820 Ca 0.16 0.31 0.00 0.00 0.02 0.00 0.00 55.97 56.46 3i89 s LYS 820 Cb 0.00 -2.56 -0.03 0.00 -0.52 0.00 0.00 37.83 34.72 3i89 s LYS 820 CO 0.02 0.20 -0.05 -0.51 -0.92 0.00 0.00 175.35 174.09 3i89 s LEU 821 N -3.23 2.40 0.00 3.17 1.43 -1.25 -4.79 118.68 116.40 3i89 s LEU 821 Ca 0.48 -0.81 0.00 0.00 -1.03 0.00 0.00 54.13 52.77 3i89 s LEU 821 Cb -0.11 0.05 0.00 0.00 0.03 0.00 0.00 46.19 46.16 3i89 s LEU 821 CO 0.25 -0.43 0.00 0.61 0.23 0.00 0.00 176.35 177.01 3i89 n GLY 822 N 0.64 2.80 0.14 -3.19 0.00 -0.21 -2.35 105.19 103.03 3i89 n GLY 822 Ca -0.17 -0.03 -0.23 0.00 0.00 0.00 0.00 46.02 45.59 3i89 n GLY 822 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i89 h LYS 823 N 0.00 0.40 -1.93 1.61 6.56 -1.91 -3.49 116.57 117.81 3i89 h LYS 823 Ca 0.00 -0.68 -0.28 0.00 -1.06 0.00 0.00 60.65 58.63 3i89 h LYS 823 Cb 0.00 0.25 0.01 0.00 -0.57 0.00 0.00 32.23 31.92 3i89 h LYS 823 CO 0.00 1.31 0.17 -3.47 -2.06 0.00 0.00 179.45 175.40 3i89 n ASP 824 N -3.59 0.28 -0.68 0.86 -0.08 -0.99 -4.86 116.55 107.49 3i89 n ASP 824 Ca -0.23 0.38 0.05 0.00 -1.51 0.00 0.00 54.79 53.48 3i89 n ASP 824 Cb 1.08 -0.29 0.15 0.00 2.34 0.00 0.00 41.12 44.40 3i89 n ASP 824 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 3i89 n PRO 825 N 1.07 1.89 -3.35 -0.67 -0.04 -1.26 -3.97 135.00 128.66 3i89 n PRO 825 Ca 0.09 -1.23 -0.37 0.00 -0.04 0.00 0.00 63.50 61.95 3i89 n PRO 825 Cb -0.01 -1.33 -0.06 0.00 -0.04 0.00 0.00 33.50 32.07 3i89 n PRO 825 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 3i89 s ASN 826 N -0.93 6.91 -0.35 3.54 -0.87 -1.26 -5.04 114.94 116.93 3i89 s ASN 826 Ca 0.23 1.12 -0.16 0.00 -1.57 0.00 0.00 52.86 52.48 3i89 s ASN 826 Cb 0.12 -2.31 -0.01 0.00 -0.02 0.00 0.00 41.25 39.04 3i89 s ASN 826 CO 0.14 0.20 0.38 -0.89 -2.57 0.00 0.00 177.10 174.36 3i89 s THR 827 N -1.29 5.15 0.51 1.60 2.01 -1.26 -4.08 115.64 118.28 3i89 s THR 827 Ca 0.33 -0.00 0.09 0.00 0.31 0.00 0.00 61.69 62.41 3i89 s THR 827 Cb -0.17 -3.86 0.05 0.00 0.01 0.00 0.00 72.50 68.53 3i89 s THR 827 CO 0.18 -0.15 0.69 -0.31 -0.69 0.00 0.00 174.62 174.34 3i89 s TYR 828 N 2.06 2.02 -0.31 4.92 1.51 0.59 -4.69 117.35 123.43 3i89 s TYR 828 Ca 0.12 -0.59 0.02 0.00 -1.01 0.00 0.00 57.07 55.62 3i89 s TYR 828 Cb -0.17 -2.27 0.09 0.00 -0.11 0.00 0.00 41.96 39.50 3i89 s TYR 828 CO 0.12 -0.82 0.04 -0.06 -1.11 0.00 0.00 175.55 173.72 3i89 s PHE 829 N -2.53 2.98 0.10 2.71 0.08 -0.12 -2.33 117.98 118.86 3i89 s PHE 829 Ca 0.58 -2.45 -0.07 0.00 0.12 0.00 0.00 56.93 55.12 3i89 s PHE 829 Cb -0.07 -2.35 -0.05 0.00 -0.57 0.00 0.00 43.02 39.97 3i89 s PHE 829 CO 0.36 -0.90 0.36 0.42 -0.10 0.00 0.00 175.22 175.36 3i89 s ILE 830 N 1.18 5.17 -0.19 0.64 1.01 -0.52 -2.47 121.20 126.02 3i89 s ILE 830 Ca 0.07 0.20 -0.05 0.00 0.00 0.00 0.00 60.65 60.87 3i89 s ILE 830 Cb -0.19 -3.62 0.07 0.00 0.01 0.00 0.00 42.46 38.74 3i89 s ILE 830 CO -0.13 0.18 0.13 -0.69 0.00 0.00 0.00 174.94 174.44 3i89 s VAL 831 N -1.51 -0.16 0.30 2.92 1.01 -0.59 -1.73 120.40 120.65 3i89 s VAL 831 Ca 0.36 -0.18 -0.28 0.00 0.00 0.00 0.00 61.98 61.88 3i89 s VAL 831 Cb -0.13 -0.63 -0.09 0.00 0.00 0.00 0.00 36.38 35.53 3i89 s VAL 831 CO 0.21 -0.28 1.05 -0.83 0.00 0.00 0.00 175.10 175.24 3i89 s GLY 832 N 2.20 2.99 0.00 4.51 0.00 -1.07 -2.26 107.32 113.68 3i89 s GLY 832 Ca 0.04 0.78 0.00 0.00 0.00 0.00 0.00 44.72 45.54 3i89 s GLY 832 CO -0.12 1.33 0.00 -1.30 0.00 0.00 0.00 173.10 173.01 3i89 n THR 833 N 0.93 0.00 -3.64 0.90 -2.24 -0.40 -0.48 114.28 109.35 3i89 n THR 833 Ca 0.00 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.72 3i89 n THR 833 Cb 0.47 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.63 3i89 n THR 833 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i89 s ALA 834 N -2.00 -2.09 -0.36 6.98 0.00 0.34 -2.04 121.76 122.58 3i89 s ALA 834 Ca 0.00 1.77 -0.20 0.00 0.00 0.00 0.00 51.96 53.53 3i89 s ALA 834 Cb 0.00 -1.55 0.00 0.00 0.00 0.00 0.00 23.12 21.58 3i89 s ALA 834 CO 0.00 -0.18 0.60 -1.64 0.00 0.00 0.00 175.76 174.54 3i89 s MET 835 N -0.01 3.62 -0.14 0.00 -1.94 0.67 -1.15 119.30 120.36 3i89 s MET 835 Ca 0.05 -0.05 -0.04 0.00 -1.71 0.00 0.00 55.69 53.94 3i89 s MET 835 Cb -0.04 -3.82 -0.03 0.00 2.01 0.00 0.00 34.83 32.94 3i89 s MET 835 CO -0.10 -0.74 0.01 0.08 -0.01 0.00 0.00 175.02 174.26 3i89 s VAL 836 N 2.63 4.32 -0.02 -6.03 1.01 -1.07 -4.59 120.40 116.65 3i89 s VAL 836 Ca 0.23 -0.22 -0.05 0.00 0.00 0.00 0.00 61.98 61.94 3i89 s VAL 836 Cb -0.15 -2.88 0.00 0.00 0.00 0.00 0.00 36.38 33.36 3i89 s VAL 836 CO 0.15 0.53 0.11 -0.31 0.00 0.00 0.00 175.10 175.57 3i89 s TYR 837 N -0.11 -0.01 0.35 5.22 1.51 -1.26 -4.88 117.35 118.16 3i89 s TYR 837 Ca 0.04 0.03 0.36 0.00 -1.01 0.00 0.00 57.07 56.49 3i89 s TYR 837 Cb -0.13 -0.02 1.73 0.00 -0.11 0.00 0.00 41.96 43.43 3i89 s TYR 837 CO 0.02 -0.17 2.13 -1.35 -1.11 0.00 0.00 175.55 175.07 3i89 h PRO 838 N 5.12 0.00 0.00 -1.71 0.11 -2.02 -1.26 132.00 132.24 3i89 h PRO 838 Ca -0.28 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.77 3i89 h PRO 838 Cb 1.20 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 3i89 h PRO 838 CO 0.42 0.03 -0.26 1.05 -0.21 0.00 0.00 178.00 179.02 3i89 h GLU 839 N 0.00 0.00 -5.48 1.05 9.09 -2.02 -3.42 114.58 113.80 3i89 h GLU 839 Ca -0.00 0.00 -0.62 0.00 0.05 0.00 0.00 59.36 58.79 3i89 h GLU 839 Cb 0.32 0.00 -0.13 0.00 -1.65 0.00 0.00 28.75 27.29 3i89 h GLU 839 CO 0.00 0.26 0.13 -1.21 0.05 0.00 0.00 179.01 178.25 3i89 s GLU 840 N -3.24 3.81 0.57 1.06 2.02 -0.48 -4.92 118.70 117.52 3i89 s GLU 840 Ca 0.04 0.19 0.38 0.00 0.02 0.00 0.00 54.97 55.60 3i89 s GLU 840 Cb 0.08 -3.76 2.05 0.00 0.10 0.00 0.00 34.13 32.60 3i89 s GLU 840 CO 0.68 -0.63 2.16 0.00 0.02 0.00 0.00 175.26 177.50 3i89 h ALA 841 N 8.30 1.00 -1.76 5.21 0.00 -1.82 -3.42 119.26 126.76 3i89 h ALA 841 Ca -0.27 0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.72 3i89 h ALA 841 Cb 1.12 0.00 -0.23 0.00 0.00 0.00 0.00 17.79 18.67 3i89 h ALA 841 CO 0.81 0.00 0.14 -2.00 0.00 0.00 0.00 179.25 178.20 3i89 s GLU 842 N -3.96 0.55 0.29 0.00 2.12 -1.26 -5.15 118.70 111.29 3i89 s GLU 842 Ca -0.04 1.02 -0.29 0.00 0.36 0.00 0.00 54.97 56.02 3i89 s GLU 842 Cb 0.11 0.23 -0.10 0.00 0.26 0.00 0.00 34.13 34.63 3i89 s GLU 842 CO 0.36 -0.13 1.30 -1.25 -0.54 0.00 0.00 175.26 175.00 3i89 s PRO 843 N 1.76 4.38 -0.00 4.30 0.04 -1.26 -4.96 135.00 139.25 3i89 s PRO 843 Ca -0.09 2.16 0.00 0.00 0.04 0.00 0.00 61.00 63.11 3i89 s PRO 843 Cb -0.05 -3.11 0.00 0.00 0.04 0.00 0.00 34.50 31.37 3i89 s PRO 843 CO -0.18 -0.19 1.00 0.36 0.04 0.00 0.00 177.00 178.03 3i89 n LYS 844 N 1.39 3.00 -4.01 4.56 0.00 -1.26 -3.72 118.16 118.12 3i89 n LYS 844 Ca 0.02 -1.50 -0.13 0.00 -0.00 0.00 0.00 58.31 56.70 3i89 n LYS 844 Cb 0.42 -1.00 -0.14 0.00 -0.00 0.00 0.00 35.03 34.31 3i89 n LYS 844 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 3i89 s GLN 845 N -1.00 0.24 0.00 -1.58 -0.21 -1.26 -2.85 119.66 113.00 3i89 s GLN 845 Ca 0.00 -0.20 0.00 0.00 0.02 0.00 0.00 55.36 55.18 3i89 s GLN 845 Cb 0.00 -0.17 0.00 0.00 1.00 0.00 0.00 33.01 33.84 3i89 s GLN 845 CO 0.00 0.04 0.00 0.41 -2.12 0.00 0.00 175.29 173.62 3i89 n GLY 846 N 2.74 -0.90 3.28 3.09 0.00 -0.28 -0.23 105.19 112.89 3i89 n GLY 846 Ca -0.14 -0.99 -0.14 0.00 0.00 0.00 0.00 46.02 44.75 3i89 n GLY 846 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3i89 s ARG 847 N -2.00 0.62 0.12 1.61 1.70 -1.25 0.68 118.95 120.43 3i89 s ARG 847 Ca 0.00 0.11 -0.19 0.00 -0.47 0.00 0.00 55.73 55.18 3i89 s ARG 847 Cb 0.00 0.28 -0.07 0.00 -0.57 0.00 0.00 34.95 34.59 3i89 s ARG 847 CO 0.00 -0.15 0.62 0.42 -1.08 0.00 0.00 175.30 175.11 3i89 s ILE 848 N -0.76 4.68 -0.03 4.99 1.01 -0.92 -1.27 121.20 128.91 3i89 s ILE 848 Ca -0.08 1.22 0.01 0.00 0.00 0.00 0.00 60.65 61.80 3i89 s ILE 848 Cb -0.04 -3.89 0.01 0.00 0.01 0.00 0.00 42.46 38.55 3i89 s ILE 848 CO 0.03 0.44 -0.04 -0.69 0.00 0.00 0.00 174.94 174.69 3i89 s VAL 849 N -1.25 0.40 -0.15 2.92 1.01 -0.96 -1.78 120.40 120.59 3i89 s VAL 849 Ca 0.34 -0.11 -0.05 0.00 0.00 0.00 0.00 61.98 62.16 3i89 s VAL 849 Cb -0.19 -0.41 -0.04 0.00 0.00 0.00 0.00 36.38 35.74 3i89 s VAL 849 CO 0.20 0.17 0.04 -0.69 0.00 0.00 0.00 175.10 174.82 3i89 s VAL 850 N 0.56 4.61 0.10 2.92 1.01 0.25 -1.54 120.40 128.31 3i89 s VAL 850 Ca -0.07 -0.11 0.06 0.00 0.00 0.00 0.00 61.98 61.86 3i89 s VAL 850 Cb -0.10 -3.03 -0.03 0.00 0.00 0.00 0.00 36.38 33.22 3i89 s VAL 850 CO -0.00 0.52 -0.14 -0.36 0.00 0.00 0.00 175.10 175.11 3i89 s PHE 851 N -0.08 1.32 0.05 5.22 0.40 -1.03 -0.29 117.98 123.56 3i89 s PHE 851 Ca 0.06 -0.51 0.05 0.00 -0.60 0.00 0.00 56.93 55.92 3i89 s PHE 851 Cb -0.12 -0.71 -0.02 0.00 0.51 0.00 0.00 43.02 42.67 3i89 s PHE 851 CO 0.01 0.10 -0.14 -1.14 0.70 0.00 0.00 175.22 174.75 3i89 s GLN 852 N -2.23 0.89 -0.29 0.44 0.74 -0.06 -0.95 119.66 118.20 3i89 s GLN 852 Ca 0.04 -0.79 -0.07 0.00 0.05 0.00 0.00 55.36 54.58 3i89 s GLN 852 Cb -0.07 -0.90 0.00 0.00 1.10 0.00 0.00 33.01 33.14 3i89 s GLN 852 CO 0.03 0.22 0.08 -0.47 -0.55 0.00 0.00 175.29 174.59 3i89 s TYR 853 N -0.94 3.13 0.00 1.67 5.04 -1.25 -0.18 117.35 124.82 3i89 s TYR 853 Ca 0.01 -0.84 0.00 0.00 -2.44 0.00 0.00 57.07 53.80 3i89 s TYR 853 Cb -0.08 -2.26 0.00 0.00 0.35 0.00 0.00 41.96 39.97 3i89 s TYR 853 CO 0.01 -0.53 0.00 0.43 -1.34 0.00 0.00 175.55 174.13 3i89 n SER 854 N 4.89 0.00 0.01 4.32 7.64 0.91 -4.90 113.62 126.49 3i89 n SER 854 Ca -0.15 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.62 3i89 n SER 854 Cb 0.49 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.60 3i89 n SER 854 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 3i89 h ASP 855 N 0.00 -0.10 0.00 6.43 5.19 -2.03 -3.41 116.42 122.49 3i89 h ASP 855 Ca 0.00 -0.48 -0.04 0.00 -0.62 0.00 0.00 57.03 55.89 3i89 h ASP 855 Cb 0.00 0.03 -0.04 0.00 0.18 0.00 0.00 39.33 39.49 3i89 h ASP 855 CO 0.00 0.54 -0.16 0.61 -3.12 0.00 0.00 179.24 177.11 3i89 n GLY 856 N 0.88 0.83 3.70 2.75 0.00 -1.26 -5.13 105.19 106.97 3i89 n GLY 856 Ca -0.08 -0.03 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 3i89 n GLY 856 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i89 s LYS 857 N 0.00 2.97 -0.65 1.61 1.02 -1.26 -4.94 119.74 118.48 3i89 s LYS 857 Ca 0.01 -0.44 0.01 0.00 0.02 0.00 0.00 55.97 55.57 3i89 s LYS 857 Cb 0.01 -2.79 0.16 0.00 -0.52 0.00 0.00 37.83 34.70 3i89 s LYS 857 CO -0.01 0.69 0.45 -1.17 -0.92 0.00 0.00 175.35 174.40 3i89 s LEU 858 N -1.07 4.95 -0.36 3.17 1.98 -1.25 -0.06 118.68 126.03 3i89 s LEU 858 Ca 0.15 -3.23 -0.28 0.00 -2.89 0.00 0.00 54.13 47.88 3i89 s LEU 858 Cb -0.11 -1.76 0.02 0.00 0.66 0.00 0.00 46.19 44.99 3i89 s LEU 858 CO 0.05 -0.25 1.04 -1.58 -1.89 0.00 0.00 176.35 173.72 3i89 s GLN 859 N -0.60 3.95 -0.89 1.98 0.74 0.75 -4.85 119.66 120.73 3i89 s GLN 859 Ca 0.20 0.84 -0.25 0.00 0.05 0.00 0.00 55.36 56.20 3i89 s GLN 859 Cb -0.17 -3.78 -0.19 0.00 1.10 0.00 0.00 33.01 29.97 3i89 s GLN 859 CO -0.06 -0.98 1.93 2.41 -0.55 0.00 0.00 175.29 178.03 3i89 n THR 860 N 6.05 1.04 -0.14 -0.34 -1.04 -1.26 -0.89 114.28 117.69 3i89 n THR 860 Ca 0.10 -1.02 -0.08 0.00 -2.04 0.00 0.00 64.05 61.01 3i89 n THR 860 Cb 0.48 -2.12 0.01 0.00 -1.82 0.00 0.00 70.33 66.87 3i89 n THR 860 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 3i89 h VAL 861 N 5.83 1.12 -1.81 12.58 2.07 -0.99 -3.45 116.25 131.60 3i89 h VAL 861 Ca 0.20 -0.23 0.06 0.00 0.82 0.00 0.00 66.70 67.55 3i89 h VAL 861 Cb 0.87 0.48 -0.23 0.00 -1.52 0.00 0.00 31.29 30.89 3i89 h VAL 861 CO 1.42 0.12 0.12 0.00 0.02 0.00 0.00 177.57 179.25 3i89 s ALA 862 N -6.12 -2.06 0.21 1.67 0.00 -1.03 -4.98 121.76 109.45 3i89 s ALA 862 Ca -0.13 2.34 0.00 0.00 0.00 0.00 0.00 51.96 54.17 3i89 s ALA 862 Cb 0.11 -1.58 0.00 0.00 0.00 0.00 0.00 23.12 21.65 3i89 s ALA 862 CO 0.73 -0.46 0.00 -0.85 0.00 0.00 0.00 175.76 175.18 3i89 n GLU 863 N 4.29 0.82 0.00 0.00 0.28 -1.26 0.86 120.64 125.64 3i89 n GLU 863 Ca -0.18 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.82 3i89 n GLU 863 Cb 0.57 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.44 3i89 n GLU 863 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 3i89 n LYS 864 N -0.98 0.00 -1.72 3.44 3.00 -0.74 -4.75 118.16 116.41 3i89 n LYS 864 Ca 0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 58.31 57.92 3i89 n LYS 864 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 35.03 35.06 3i89 n LYS 864 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 3i89 n GLU 865 N 0.00 1.76 -4.06 1.64 2.13 -1.26 -2.16 120.64 118.68 3i89 n GLU 865 Ca 0.00 0.64 -0.10 0.00 0.66 0.00 0.00 57.16 58.36 3i89 n GLU 865 Cb 0.00 -2.50 -0.11 0.00 0.27 0.00 0.00 31.44 29.10 3i89 n GLU 865 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 3i89 s VAL 866 N -1.27 0.34 -0.26 6.31 -7.23 0.21 -4.88 120.40 113.63 3i89 s VAL 866 Ca 0.68 -1.38 0.01 0.00 -1.81 0.00 0.00 61.98 59.48 3i89 s VAL 866 Cb -0.44 -0.94 0.28 0.00 0.56 0.00 0.00 36.38 35.84 3i89 s VAL 866 CO 0.52 -0.68 1.67 0.29 -0.31 0.00 0.00 175.10 176.60 3i89 n LYS 867 N 0.87 1.69 -2.86 4.82 5.02 -1.26 -1.12 118.16 125.31 3i89 n LYS 867 Ca -0.19 -1.50 0.01 0.00 -2.02 0.00 0.00 58.31 54.61 3i89 n LYS 867 Cb 0.58 -1.59 0.01 0.00 -0.02 0.00 0.00 35.03 34.00 3i89 n LYS 867 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i89 n GLY 868 N -0.05 0.50 3.63 0.72 0.00 -1.13 -4.28 105.19 104.58 3i89 n GLY 868 Ca 0.30 -0.95 -0.40 0.00 0.00 0.00 0.00 46.02 44.97 3i89 n GLY 868 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i89 s ALA 869 N -1.49 3.58 -0.54 4.61 0.00 -1.24 -2.62 121.76 124.06 3i89 s ALA 869 Ca 0.14 -0.53 -0.28 0.00 0.00 0.00 0.00 51.96 51.29 3i89 s ALA 869 Cb -0.01 -2.89 0.01 0.00 0.00 0.00 0.00 23.12 20.23 3i89 s ALA 869 CO 0.00 -0.68 1.40 0.08 0.00 0.00 0.00 175.76 176.56 3i89 s VAL 870 N 2.19 3.82 0.06 0.00 1.01 -0.87 -2.14 120.40 124.46 3i89 s VAL 870 Ca 0.23 0.73 0.09 0.00 0.00 0.00 0.00 61.98 63.02 3i89 s VAL 870 Cb -0.16 -4.41 -0.21 0.00 0.00 0.00 0.00 36.38 31.60 3i89 s VAL 870 CO 0.09 -1.11 1.07 1.88 0.00 0.00 0.00 175.10 177.03 3i89 h TYR 871 N 10.94 0.00 -2.27 5.22 -1.99 -1.68 -3.38 116.97 123.81 3i89 h TYR 871 Ca -0.27 0.00 0.21 0.00 2.00 0.00 0.00 58.73 60.67 3i89 h TYR 871 Cb 1.09 0.00 -0.07 0.00 2.00 0.00 0.00 36.73 39.76 3i89 h TYR 871 CO 1.02 0.98 0.61 -1.54 -0.00 0.00 0.00 178.16 179.24 3i89 s SER 872 N -6.48 -0.07 -0.30 3.88 1.04 -1.25 -4.65 113.70 105.87 3i89 s SER 872 Ca -0.01 -0.47 -0.15 0.00 0.48 0.00 0.00 55.95 55.80 3i89 s SER 872 Cb 0.09 0.42 0.17 0.00 0.10 0.00 0.00 66.02 66.80 3i89 s SER 872 CO 0.82 -0.81 1.01 0.00 0.98 0.00 0.00 173.24 175.24 3i89 s MET 873 N -2.58 0.27 0.09 4.02 0.23 -1.26 -0.36 119.30 119.70 3i89 s MET 873 Ca 0.18 0.65 0.02 0.00 -1.03 0.00 0.00 55.69 55.51 3i89 s MET 873 Cb -0.01 0.39 -0.04 0.00 -1.53 0.00 0.00 34.83 33.64 3i89 s MET 873 CO 0.02 -0.11 0.15 0.54 -2.03 0.00 0.00 175.02 173.59 3i89 s VAL 874 N 2.46 4.89 0.26 5.16 0.11 -0.41 -4.76 120.40 128.12 3i89 s VAL 874 Ca -0.02 -0.67 -0.31 0.00 -2.93 0.00 0.00 61.98 58.06 3i89 s VAL 874 Cb -0.06 -3.40 -0.12 0.00 -1.53 0.00 0.00 36.38 31.27 3i89 s VAL 874 CO -0.17 0.08 1.56 1.21 -3.33 0.00 0.00 175.10 174.46 3i89 n GLU 875 N 0.21 2.50 0.00 1.54 0.00 -1.26 -0.95 120.64 122.69 3i89 n GLU 875 Ca -0.07 0.89 0.00 0.00 0.00 0.00 0.00 57.16 57.98 3i89 n GLU 875 Cb 0.52 -2.65 0.00 0.00 0.00 0.00 0.00 31.44 29.31 3i89 n GLU 875 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 3i89 n PHE 876 N 2.39 0.00 -3.74 4.31 7.35 0.15 -4.83 117.46 123.09 3i89 n PHE 876 Ca 0.11 0.00 -0.28 0.00 -0.76 0.00 0.00 57.45 56.52 3i89 n PHE 876 Cb 0.35 0.00 -0.11 0.00 0.35 0.00 0.00 39.48 40.07 3i89 n PHE 876 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 3i89 n ASN 877 N 0.00 2.98 0.00 -2.13 3.02 -1.26 -4.75 115.26 113.12 3i89 n ASN 877 Ca 0.00 -3.22 0.00 0.00 -0.03 0.00 0.00 54.58 51.33 3i89 n ASN 877 Cb 0.00 -0.72 0.00 0.00 -0.61 0.00 0.00 39.78 38.45 3i89 n ASN 877 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i89 n GLY 878 N 1.71 1.95 3.99 7.41 0.00 -1.26 -4.97 105.19 114.03 3i89 n GLY 878 Ca 0.23 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.04 3i89 n GLY 878 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i89 s LYS 879 N 0.00 2.40 -0.29 1.61 1.02 -1.26 -1.04 119.74 122.17 3i89 s LYS 879 Ca 0.00 -1.64 0.03 0.00 0.02 0.00 0.00 55.97 54.37 3i89 s LYS 879 Cb 0.00 -2.54 0.07 0.00 -0.52 0.00 0.00 37.83 34.84 3i89 s LYS 879 CO 0.00 -0.67 -0.04 -1.17 -0.92 0.00 0.00 175.35 172.55 3i89 s LEU 880 N -4.50 3.94 0.06 3.17 2.96 -0.35 0.32 118.68 124.27 3i89 s LEU 880 Ca 0.54 -1.62 -0.18 0.00 -0.22 0.00 0.00 54.13 52.65 3i89 s LEU 880 Cb -0.06 -1.60 -0.06 0.00 0.50 0.00 0.00 46.19 44.97 3i89 s LEU 880 CO 0.34 -0.26 0.53 -0.22 -1.32 0.00 0.00 176.35 175.42 3i89 s LEU 881 N 1.06 4.52 -0.30 -0.68 2.96 -0.12 0.34 118.68 126.46 3i89 s LEU 881 Ca -0.02 1.20 -0.10 0.00 -0.22 0.00 0.00 54.13 54.98 3i89 s LEU 881 Cb -0.20 -2.83 0.14 0.00 0.50 0.00 0.00 46.19 43.80 3i89 s LEU 881 CO -0.05 0.29 0.69 0.00 -1.32 0.00 0.00 176.35 175.95 3i89 s ALA 882 N -1.11 -2.14 -0.15 5.97 0.00 -0.40 -1.29 121.76 122.64 3i89 s ALA 882 Ca 0.28 2.29 -0.29 0.00 0.00 0.00 0.00 51.96 54.23 3i89 s ALA 882 Cb -0.19 -1.83 -0.00 0.00 0.00 0.00 0.00 23.12 21.09 3i89 s ALA 882 CO 0.18 -0.96 1.04 -1.54 0.00 0.00 0.00 175.76 174.48 3i89 s SER 883 N 2.85 7.17 -0.58 0.00 1.04 0.51 -1.41 113.70 123.28 3i89 s SER 883 Ca -0.04 1.49 -0.01 0.00 0.48 0.00 0.00 55.95 57.87 3i89 s SER 883 Cb -0.12 -2.55 0.15 0.00 0.10 0.00 0.00 66.02 63.60 3i89 s SER 883 CO -0.19 -0.55 0.37 -0.63 0.98 0.00 0.00 173.24 173.22 3i89 s ILE 884 N 2.53 3.40 0.00 -1.02 1.09 0.23 -2.03 121.20 125.40 3i89 s ILE 884 Ca 0.47 -2.97 0.00 0.00 -1.10 0.00 0.00 60.65 57.06 3i89 s ILE 884 Cb -0.17 -3.25 0.00 0.00 -1.06 0.00 0.00 42.46 37.97 3i89 s ILE 884 CO 0.13 -0.84 0.00 -3.20 -0.10 0.00 0.00 174.94 170.93 3i89 n ASN 885 N 3.49 0.00 0.00 3.58 4.05 -0.91 -0.01 115.26 125.47 3i89 n ASN 885 Ca 0.06 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.09 3i89 n ASN 885 Cb 0.37 -0.99 0.00 0.00 1.23 0.00 0.00 39.78 40.38 3i89 n ASN 885 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 177.26 173.97 3i89 n SER 886 N 0.00 0.00 -4.79 1.20 2.88 -1.26 -4.65 113.62 107.00 3i89 n SER 886 Ca 0.00 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.24 3i89 n SER 886 Cb 0.00 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.40 3i89 n SER 886 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 3i89 s THR 887 N 0.00 4.60 -0.17 2.46 2.01 0.99 -4.14 115.64 121.39 3i89 s THR 887 Ca 0.00 -0.73 0.01 0.00 0.31 0.00 0.00 61.69 61.27 3i89 s THR 887 Cb 0.00 -3.22 0.02 0.00 0.01 0.00 0.00 72.50 69.31 3i89 s THR 887 CO 0.00 0.13 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.19 3i89 s VAL 888 N -1.40 1.85 0.10 3.82 1.01 -0.43 0.77 120.40 126.12 3i89 s VAL 888 Ca 0.30 -0.81 0.09 0.00 0.00 0.00 0.00 61.98 61.55 3i89 s VAL 888 Cb -0.12 -1.69 -0.04 0.00 0.00 0.00 0.00 36.38 34.53 3i89 s VAL 888 CO 0.22 0.50 -0.22 -0.60 0.00 0.00 0.00 175.10 175.00 3i89 s ARG 889 N 1.38 1.19 -0.33 2.72 3.52 -0.50 -1.02 118.95 125.90 3i89 s ARG 889 Ca 0.05 -1.18 0.03 0.00 -0.13 0.00 0.00 55.73 54.50 3i89 s ARG 889 Cb -0.13 -1.48 0.10 0.00 -1.56 0.00 0.00 34.95 31.88 3i89 s ARG 889 CO -0.12 0.35 0.05 -1.17 -0.81 0.00 0.00 175.30 173.60 3i89 s LEU 890 N -1.89 4.22 0.38 -0.88 2.96 -0.28 -1.28 118.68 121.92 3i89 s LEU 890 Ca 0.08 -2.03 -0.13 0.00 -0.22 0.00 0.00 54.13 51.83 3i89 s LEU 890 Cb -0.10 -1.47 -0.08 0.00 0.50 0.00 0.00 46.19 45.04 3i89 s LEU 890 CO 0.04 -0.38 0.78 -0.31 -1.32 0.00 0.00 176.35 175.17 3i89 s TYR 891 N 1.05 3.42 0.16 5.38 1.51 0.15 -1.70 117.35 127.33 3i89 s TYR 891 Ca 0.10 1.17 0.11 0.00 -1.01 0.00 0.00 57.07 57.44 3i89 s TYR 891 Cb -0.19 -2.52 -0.04 0.00 -0.11 0.00 0.00 41.96 39.10 3i89 s TYR 891 CO -0.11 -0.05 -0.25 -1.21 -1.11 0.00 0.00 175.55 172.82 3i89 s GLU 892 N -3.51 1.44 -0.25 -0.62 2.02 0.30 -1.21 118.70 116.87 3i89 s GLU 892 Ca 0.53 -1.43 -0.15 0.00 0.02 0.00 0.00 54.97 53.94 3i89 s GLU 892 Cb -0.10 -1.83 -0.04 0.00 0.10 0.00 0.00 34.13 32.26 3i89 s GLU 892 CO 0.25 0.41 0.37 -0.46 0.02 0.00 0.00 175.26 175.85 3i89 s TRP 893 N -1.41 3.28 0.71 1.61 -0.00 -1.26 -0.41 118.94 121.45 3i89 s TRP 893 Ca 0.17 0.44 -0.12 0.00 -0.00 0.00 0.00 56.10 56.59 3i89 s TRP 893 Cb -0.09 -2.55 0.02 0.00 -0.00 0.00 0.00 33.47 30.86 3i89 s TRP 893 CO 0.08 -0.17 1.08 0.95 -0.00 0.00 0.00 176.95 178.89 3i89 s THR 894 N 1.86 3.57 0.29 5.86 -4.23 0.51 -4.74 115.64 118.77 3i89 s THR 894 Ca 0.15 0.58 0.28 0.00 -1.18 0.00 0.00 61.69 61.52 3i89 s THR 894 Cb -0.15 -3.14 0.30 0.00 1.34 0.00 0.00 72.50 70.84 3i89 s THR 894 CO 0.09 -0.61 1.99 0.71 -0.54 0.00 0.00 174.62 176.27 3i89 h THR 895 N -0.61 0.44 0.00 3.99 1.35 -1.98 -1.59 112.91 114.52 3i89 h THR 895 Ca -0.45 -0.71 0.00 0.00 -0.55 0.00 0.00 66.41 64.71 3i89 h THR 895 Cb 1.23 1.50 0.00 0.00 -1.73 0.00 0.00 68.15 69.14 3i89 h THR 895 CO 0.54 0.13 0.00 -0.62 -0.25 0.00 0.00 175.52 175.32 3i89 n GLU 896 N -3.44 0.63 -3.74 4.72 1.02 -1.26 -4.88 120.64 113.69 3i89 n GLU 896 Ca -0.01 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.86 3i89 n GLU 896 Cb 0.30 -1.10 0.03 0.00 -0.02 0.00 0.00 31.44 30.65 3i89 n GLU 896 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3i89 n LYS 897 N -0.27 -2.60 -4.01 3.49 5.02 -0.60 -5.04 118.16 114.15 3i89 n LYS 897 Ca 0.00 0.50 -0.08 0.00 -2.02 0.00 0.00 58.31 56.70 3i89 n LYS 897 Cb 0.05 -4.53 -0.11 0.00 -0.02 0.00 0.00 35.03 30.43 3i89 n LYS 897 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3i89 s ASP 898 N -3.90 0.32 -0.47 4.39 3.68 -1.25 -4.84 116.67 114.59 3i89 s ASP 898 Ca 0.25 -0.66 -0.23 0.00 2.13 0.00 0.00 52.55 54.03 3i89 s ASP 898 Cb -0.08 0.14 0.03 0.00 -1.45 0.00 0.00 42.92 41.56 3i89 s ASP 898 CO 0.85 -0.41 0.82 0.68 0.13 0.00 0.00 175.17 177.25 3i89 s VAL 899 N -2.31 4.59 -0.03 1.11 -7.23 -1.26 -0.36 120.40 114.91 3i89 s VAL 899 Ca -0.08 0.41 0.03 0.00 -1.81 0.00 0.00 61.98 60.53 3i89 s VAL 899 Cb -0.04 -4.37 0.00 0.00 0.56 0.00 0.00 36.38 32.53 3i89 s VAL 899 CO -0.04 -0.81 -0.12 0.00 -0.31 0.00 0.00 175.10 173.83 3i89 s ARG 900 N 3.44 1.24 0.68 4.82 1.04 0.45 -4.89 118.95 125.72 3i89 s ARG 900 Ca 0.30 -0.41 -0.17 0.00 -1.04 0.00 0.00 55.73 54.42 3i89 s ARG 900 Cb -0.12 -1.12 -0.07 0.00 -2.04 0.00 0.00 34.95 31.59 3i89 s ARG 900 CO 0.22 0.16 0.35 2.41 -0.04 0.00 0.00 175.30 178.40 3i89 n THR 901 N 3.24 1.50 0.00 4.99 -1.04 -1.26 -0.53 114.28 121.18 3i89 n THR 901 Ca -0.18 -0.44 0.00 0.00 -2.04 0.00 0.00 64.05 61.39 3i89 n THR 901 Cb 0.54 -0.57 0.00 0.00 -1.82 0.00 0.00 70.33 68.47 3i89 n THR 901 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 3i89 n GLU 902 N -0.07 0.00 -3.59 -2.82 2.13 -0.69 -4.69 120.64 110.91 3i89 n GLU 902 Ca 0.09 0.00 -0.07 0.00 0.66 0.00 0.00 57.16 57.84 3i89 n GLU 902 Cb 0.49 -0.75 -0.02 0.00 0.27 0.00 0.00 31.44 31.43 3i89 n GLU 902 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3i89 s ASN 904 N -2.68 -0.45 0.25 0.00 2.20 -1.26 -1.12 114.94 111.88 3i89 s ASN 904 Ca 0.07 0.86 -0.21 0.00 -0.94 0.00 0.00 52.86 52.64 3i89 s ASN 904 Cb -0.01 0.87 -0.09 0.00 -2.00 0.00 0.00 41.25 40.02 3i89 s ASN 904 CO -0.05 -0.15 0.77 -2.28 -2.94 0.00 0.00 177.10 172.45 3i89 s HIS 905 N 0.25 3.64 0.00 1.54 5.65 -0.19 -4.92 115.29 121.27 3i89 s HIS 905 Ca -0.00 1.46 0.00 0.00 0.25 0.00 0.00 55.06 56.77 3i89 s HIS 905 Cb -0.03 -2.68 0.00 0.00 -1.18 0.00 0.00 32.58 28.69 3i89 s HIS 905 CO 0.00 0.30 0.00 0.66 -0.65 0.00 0.00 174.74 175.05 3i89 n TYR 906 N 0.64 0.00 -0.94 3.88 4.02 -1.26 -1.31 117.16 122.19 3i89 n TYR 906 Ca -0.01 0.00 -0.28 0.00 -0.01 0.00 0.00 57.90 57.60 3i89 n TYR 906 Cb 0.51 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.81 3i89 n TYR 906 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 3i89 n ASN 907 N -1.34 6.25 -3.97 7.72 4.05 -1.26 -4.77 115.26 121.94 3i89 n ASN 907 Ca 0.00 -2.41 -0.17 0.00 0.45 0.00 0.00 54.58 52.45 3i89 n ASN 907 Cb 0.00 -1.26 -0.15 0.00 1.23 0.00 0.00 39.78 39.61 3i89 n ASN 907 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 177.26 174.41 3i89 s ASN 908 N 2.99 0.77 -0.02 1.20 0.01 -1.26 -5.03 114.94 113.61 3i89 s ASN 908 Ca 0.50 -0.12 -0.23 0.00 -0.71 0.00 0.00 52.86 52.30 3i89 s ASN 908 Cb 0.13 -0.11 -0.20 0.00 0.41 0.00 0.00 41.25 41.48 3i89 s ASN 908 CO -0.04 0.07 1.16 -0.29 -1.51 0.00 0.00 177.10 176.49 3i89 h ILE 909 N 5.08 1.46 -0.58 0.60 6.09 -1.87 -3.45 117.51 124.82 3i89 h ILE 909 Ca -0.30 -1.65 0.14 0.00 -1.37 0.00 0.00 64.86 61.69 3i89 h ILE 909 Cb 1.18 2.40 -0.20 0.00 0.47 0.00 0.00 36.82 40.67 3i89 h ILE 909 CO 0.50 0.46 -0.15 -0.32 -3.07 0.00 0.00 178.15 175.56 3i89 s MET 910 N -3.65 0.33 -0.09 2.19 1.75 -1.26 -4.76 119.30 113.81 3i89 s MET 910 Ca -0.15 0.36 -0.29 0.00 -1.25 0.00 0.00 55.69 54.36 3i89 s MET 910 Cb 0.02 0.17 -0.07 0.00 2.84 0.00 0.00 34.83 37.80 3i89 s MET 910 CO 0.74 -0.58 2.07 0.00 -0.65 0.00 0.00 175.02 176.60 3i89 s ALA 911 N 2.90 3.18 -0.03 4.11 0.00 -1.26 -0.50 121.76 130.17 3i89 s ALA 911 Ca 0.18 1.05 0.08 0.00 0.00 0.00 0.00 51.96 53.27 3i89 s ALA 911 Cb -0.06 -3.95 -0.12 0.00 0.00 0.00 0.00 23.12 18.99 3i89 s ALA 911 CO -0.23 -2.14 0.13 1.28 0.00 0.00 0.00 175.76 174.80 3i89 n LEU 912 N 9.45 0.00 -3.83 0.00 4.77 -1.26 -4.62 117.00 121.50 3i89 n LEU 912 Ca 0.24 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 56.10 3i89 n LEU 912 Cb 0.43 0.06 -0.10 0.00 -2.33 0.00 0.00 43.42 41.48 3i89 n LEU 912 CO 0.67 0.06 -0.10 -0.31 -1.33 0.00 0.00 177.39 176.37 3i89 s TYR 913 N -2.46 -0.06 -0.06 -1.77 1.51 -1.26 -4.45 117.35 108.80 3i89 s TYR 913 Ca -0.03 0.06 -0.16 0.00 -1.01 0.00 0.00 57.07 55.93 3i89 s TYR 913 Cb 0.04 0.01 0.03 0.00 -0.11 0.00 0.00 41.96 41.94 3i89 s TYR 913 CO 0.34 -0.31 0.37 -0.51 -1.11 0.00 0.00 175.55 174.33 3i89 s LEU 914 N -1.23 0.59 0.27 -1.29 1.43 -1.25 -4.28 118.68 112.92 3i89 s LEU 914 Ca -0.13 0.37 -0.05 0.00 -1.03 0.00 0.00 54.13 53.29 3i89 s LEU 914 Cb -0.06 1.42 -0.02 0.00 0.03 0.00 0.00 46.19 47.56 3i89 s LEU 914 CO 0.02 -0.37 0.35 -0.54 0.23 0.00 0.00 176.35 176.05 3i89 s LYS 915 N -0.85 1.56 -0.04 1.70 -0.14 -1.23 -4.84 119.74 115.90 3i89 s LYS 915 Ca -0.09 -1.57 -0.01 0.00 -1.36 0.00 0.00 55.97 52.93 3i89 s LYS 915 Cb -0.04 0.39 0.03 0.00 -1.68 0.00 0.00 37.83 36.53 3i89 s LYS 915 CO 0.04 -0.61 0.06 0.99 -0.76 0.00 0.00 175.35 175.07 3i89 s THR 916 N -3.75 -0.10 -1.12 2.17 2.01 -1.26 -3.90 115.64 109.69 3i89 s THR 916 Ca 0.31 0.34 -0.19 0.00 0.31 0.00 0.00 61.69 62.46 3i89 s THR 916 Cb 0.02 -0.14 0.09 0.00 0.01 0.00 0.00 72.50 72.48 3i89 s THR 916 CO 0.15 0.14 1.48 -0.75 -0.69 0.00 0.00 174.62 174.94 3i89 s LYS 917 N 1.75 3.79 0.00 4.92 2.36 -0.42 -4.89 119.74 127.25 3i89 s LYS 917 Ca -0.01 -1.74 0.00 0.00 -2.55 0.00 0.00 55.97 51.67 3i89 s LYS 917 Cb -0.12 -5.28 0.00 0.00 -1.05 0.00 0.00 37.83 31.37 3i89 s LYS 917 CO -0.03 -2.07 0.00 0.41 1.55 0.00 0.00 175.35 175.20 3i89 n GLY 918 N 5.73 0.00 0.00 5.54 0.00 -1.26 -3.99 105.19 111.21 3i89 n GLY 918 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.39 3i89 n GLY 918 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3i89 n ASP 919 N 0.00 -0.04 -2.85 1.61 2.03 -1.26 -4.70 116.55 111.34 3i89 n ASP 919 Ca 0.00 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 55.01 3i89 n ASP 919 Cb 0.00 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.34 3i89 n ASP 919 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 3i89 n PHE 920 N -0.62 1.68 -4.36 -0.67 3.72 -1.26 -4.88 117.46 111.07 3i89 n PHE 920 Ca 0.00 -2.39 -0.25 0.00 -0.05 0.00 0.00 57.45 54.76 3i89 n PHE 920 Cb 0.00 -1.88 -0.17 0.00 -0.94 0.00 0.00 39.48 36.50 3i89 n PHE 920 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3i89 s ILE 921 N 0.13 1.07 0.36 4.37 1.01 -1.26 -0.80 121.20 126.07 3i89 s ILE 921 Ca 0.63 -0.40 0.02 0.00 0.00 0.00 0.00 60.65 60.90 3i89 s ILE 921 Cb 0.26 -1.01 -0.01 0.00 0.01 0.00 0.00 42.46 41.71 3i89 s ILE 921 CO -0.09 0.35 0.08 0.18 0.00 0.00 0.00 174.94 175.46 3i89 n LEU 922 N 4.15 0.00 0.00 2.97 4.32 0.24 -1.31 117.00 127.37 3i89 n LEU 922 Ca -0.20 -2.54 0.00 0.00 -0.02 0.00 0.00 56.01 53.25 3i89 n LEU 922 Cb 0.51 0.67 0.00 0.00 -1.62 0.00 0.00 43.42 42.98 3i89 n LEU 922 CO 0.23 -0.38 0.00 0.55 -1.22 0.00 0.00 177.39 176.57 3i89 n VAL 923 N -0.83 0.00 0.00 4.08 3.14 -1.25 -1.41 118.33 122.06 3i89 n VAL 923 Ca -0.08 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.30 3i89 n VAL 923 Cb 0.50 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.28 3i89 n VAL 923 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3i89 n GLY 924 N 0.00 3.38 3.61 7.55 0.00 -1.20 -3.56 105.19 114.97 3i89 n GLY 924 Ca 0.00 -1.42 -0.04 0.00 0.00 0.00 0.00 46.02 44.56 3i89 n GLY 924 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3i89 s ASP 925 N 0.00 -0.11 -0.04 1.61 2.15 -1.26 -4.16 116.67 114.86 3i89 s ASP 925 Ca 0.00 0.02 -0.15 0.00 0.43 0.00 0.00 52.55 52.84 3i89 s ASP 925 Cb 0.00 0.11 -0.09 0.00 -0.30 0.00 0.00 42.92 42.65 3i89 s ASP 925 CO 0.00 -0.17 0.63 0.25 -0.17 0.00 0.00 175.17 175.71 3i89 h LEU 926 N 2.02 -0.46 -4.80 -1.34 5.85 -1.13 -3.38 115.31 112.08 3i89 h LEU 926 Ca -0.08 0.01 -0.53 0.00 0.84 0.00 0.00 57.88 58.12 3i89 h LEU 926 Cb 1.16 0.12 -0.41 0.00 0.37 0.00 0.00 40.66 41.89 3i89 h LEU 926 CO 0.22 -0.02 -0.86 1.15 -0.34 0.00 0.00 178.44 178.59 3i89 n MET 927 N -5.13 2.73 0.03 1.25 0.00 -1.26 -1.62 117.12 113.11 3i89 n MET 927 Ca -0.07 -4.19 0.00 0.00 0.00 0.00 0.00 57.70 53.45 3i89 n MET 927 Cb 0.22 -1.97 0.00 0.00 0.00 0.00 0.00 33.22 31.46 3i89 n MET 927 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 3i89 n ARG 928 N -0.31 0.00 0.00 3.17 1.74 -1.22 -4.54 116.66 115.50 3i89 n ARG 928 Ca 0.30 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.38 3i89 n ARG 928 Cb 0.67 -0.02 0.00 0.00 -1.02 0.00 0.00 32.46 32.09 3i89 n ARG 928 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3i89 n SER 929 N -2.71 0.00 0.00 0.55 3.41 -1.24 -1.66 113.62 111.97 3i89 n SER 929 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3i89 n SER 929 Cb 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.97 3i89 n SER 929 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3i89 n VAL 930 N 0.00 0.00 -3.86 -3.33 0.24 -1.26 -4.75 118.33 105.38 3i89 n VAL 930 Ca 0.00 0.00 -0.25 0.00 -2.04 0.00 0.00 64.34 62.05 3i89 n VAL 930 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 3i89 n VAL 930 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3i89 n LEU 931 N 0.00 0.00 -3.95 1.34 4.32 -1.26 -3.35 117.00 114.11 3i89 n LEU 931 Ca 0.00 -2.72 -0.20 0.00 -0.02 0.00 0.00 56.01 53.08 3i89 n LEU 931 Cb 0.00 -0.04 -0.16 0.00 -1.62 0.00 0.00 43.42 41.60 3i89 n LEU 931 CO 0.00 -0.57 -0.42 -0.22 -1.22 0.00 0.00 177.39 174.96 3i89 s LEU 932 N 0.00 1.62 -0.02 2.23 2.96 -0.03 -3.25 118.68 122.18 3i89 s LEU 932 Ca 0.30 -0.15 0.00 0.00 -0.22 0.00 0.00 54.13 54.06 3i89 s LEU 932 Cb -0.02 -0.47 0.03 0.00 0.50 0.00 0.00 46.19 46.22 3i89 s LEU 932 CO 0.19 0.01 0.01 -0.76 -1.32 0.00 0.00 176.35 174.48 3i89 s LEU 933 N 0.48 1.22 0.13 -0.68 1.02 -0.50 -1.43 118.68 118.92 3i89 s LEU 933 Ca -0.07 -0.01 -0.05 0.00 0.02 0.00 0.00 54.13 54.03 3i89 s LEU 933 Cb -0.11 -0.16 -0.06 0.00 0.02 0.00 0.00 46.19 45.89 3i89 s LEU 933 CO 0.00 -0.10 0.37 0.00 0.02 0.00 0.00 176.35 176.65 3i89 s ALA 934 N 0.93 3.80 0.10 4.21 0.00 0.07 0.79 121.76 131.66 3i89 s ALA 934 Ca -0.09 -0.56 -0.03 0.00 0.00 0.00 0.00 51.96 51.28 3i89 s ALA 934 Cb -0.12 -2.13 -0.05 0.00 0.00 0.00 0.00 23.12 20.82 3i89 s ALA 934 CO -0.02 0.67 0.31 -0.47 0.00 0.00 0.00 175.76 176.25 3i89 s TYR 935 N -1.62 3.50 -0.27 0.00 5.04 0.02 -0.78 117.35 123.23 3i89 s TYR 935 Ca 0.40 0.45 0.02 0.00 -2.44 0.00 0.00 57.07 55.50 3i89 s TYR 935 Cb -0.12 -1.92 0.06 0.00 0.35 0.00 0.00 41.96 40.33 3i89 s TYR 935 CO 0.24 0.51 -0.08 0.15 -1.34 0.00 0.00 175.55 175.02 3i89 s LYS 936 N -2.52 2.23 0.00 4.97 -0.14 0.23 -4.76 119.74 119.74 3i89 s LYS 936 Ca 0.38 -1.37 0.00 0.00 -1.36 0.00 0.00 55.97 53.62 3i89 s LYS 936 Cb -0.13 -2.96 0.00 0.00 -1.68 0.00 0.00 37.83 33.06 3i89 s LYS 936 CO 0.25 -0.60 0.00 -2.30 -0.76 0.00 0.00 175.35 171.94 3i89 n PRO 937 N 4.45 0.00 0.00 -1.68 -0.02 -1.26 -0.10 135.00 136.40 3i89 n PRO 937 Ca -0.13 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.35 3i89 n PRO 937 Cb 0.42 -1.35 0.00 0.00 -0.02 0.00 0.00 33.50 32.55 3i89 n PRO 937 CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 3i89 n MET 938 N 1.06 0.00 -0.66 -0.52 0.00 -1.26 -4.66 117.12 111.09 3i89 n MET 938 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 57.70 57.67 3i89 n MET 938 Cb 0.00 0.00 0.20 0.00 0.00 0.00 0.00 33.22 33.42 3i89 n MET 938 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 175.97 175.12 3i89 n GLU 939 N 0.00 2.85 -3.20 2.12 0.28 -1.26 -4.87 120.64 116.56 3i89 n GLU 939 Ca 0.00 -1.98 -0.15 0.00 -0.16 0.00 0.00 57.16 54.88 3i89 n GLU 939 Cb 0.00 -1.90 0.07 0.00 1.43 0.00 0.00 31.44 31.04 3i89 n GLU 939 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3i89 n GLY 940 N 0.04 -0.69 3.58 -1.84 0.00 0.86 -5.03 105.19 102.11 3i89 n GLY 940 Ca 0.26 0.32 -0.23 0.00 0.00 0.00 0.00 46.02 46.36 3i89 n GLY 940 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3i89 s ASN 941 N -3.75 4.15 -0.04 1.61 3.04 -0.79 -4.69 114.94 114.48 3i89 s ASN 941 Ca 0.24 -0.81 -0.21 0.00 0.04 0.00 0.00 52.86 52.11 3i89 s ASN 941 Cb -0.03 -0.62 -0.05 0.00 -1.54 0.00 0.00 41.25 39.02 3i89 s ASN 941 CO 0.68 0.00 0.62 -0.36 -3.04 0.00 0.00 177.10 174.99 3i89 s PHE 942 N -2.41 3.63 -0.14 0.43 2.99 -1.26 0.75 117.98 121.97 3i89 s PHE 942 Ca 0.31 1.18 0.02 0.00 0.00 0.00 0.00 56.93 58.44 3i89 s PHE 942 Cb -0.05 -2.67 0.01 0.00 0.00 0.00 0.00 43.02 40.31 3i89 s PHE 942 CO 0.18 0.24 -0.21 -2.00 -0.00 0.00 0.00 175.22 173.43 3i89 s GLU 943 N 0.23 2.92 -1.01 0.44 2.12 0.04 -4.98 118.70 118.46 3i89 s GLU 943 Ca 0.32 -0.81 -0.23 0.00 0.36 0.00 0.00 54.97 54.61 3i89 s GLU 943 Cb -0.18 -2.39 0.05 0.00 0.26 0.00 0.00 34.13 31.88 3i89 s GLU 943 CO 0.17 -0.05 1.43 -2.00 -0.54 0.00 0.00 175.26 174.27 3i89 s GLU 944 N 0.91 3.58 0.15 4.30 2.12 -1.26 -0.75 118.70 127.75 3i89 s GLU 944 Ca -0.05 -1.12 -0.21 0.00 0.36 0.00 0.00 54.97 53.94 3i89 s GLU 944 Cb -0.15 -5.31 0.03 0.00 0.26 0.00 0.00 34.13 28.96 3i89 s GLU 944 CO -0.04 -2.19 1.65 0.82 -0.54 0.00 0.00 175.26 174.96 3i89 h ILE 945 N 6.74 0.48 -2.87 -3.70 5.03 -1.59 -3.48 117.51 118.12 3i89 h ILE 945 Ca 0.19 0.00 0.07 0.00 -0.12 0.00 0.00 64.86 65.00 3i89 h ILE 945 Cb 1.01 0.48 -0.04 0.00 -3.03 0.00 0.00 36.82 35.24 3i89 h ILE 945 CO 1.41 0.00 0.30 0.00 -0.68 0.00 0.00 178.15 179.18 3i89 s ALA 946 N -6.13 -1.19 0.00 1.87 0.00 -1.17 -4.37 121.76 110.77 3i89 s ALA 946 Ca -0.14 -0.35 0.00 0.00 0.00 0.00 0.00 51.96 51.46 3i89 s ALA 946 Cb 0.12 0.77 0.00 0.00 0.00 0.00 0.00 23.12 24.01 3i89 s ALA 946 CO 0.69 -1.03 0.00 2.89 0.00 0.00 0.00 175.76 178.31 3i89 n ARG 947 N -0.49 0.00 -3.75 0.00 1.85 -1.18 -0.85 116.66 112.24 3i89 n ARG 947 Ca -0.05 0.00 -0.20 0.00 -1.00 0.00 0.00 57.85 56.60 3i89 n ARG 947 Cb 0.59 0.00 -0.17 0.00 -1.05 0.00 0.00 32.46 31.83 3i89 n ARG 947 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 3i89 s ASP 948 N 0.26 1.04 -1.12 2.89 2.15 -1.21 -0.32 116.67 120.36 3i89 s ASP 948 Ca 0.00 0.02 -0.06 0.00 0.43 0.00 0.00 52.55 52.94 3i89 s ASP 948 Cb 0.00 -0.22 0.28 0.00 -0.30 0.00 0.00 42.92 42.68 3i89 s ASP 948 CO 0.00 -0.20 1.50 0.49 -0.17 0.00 0.00 175.17 176.79 3i89 n PHE 949 N 4.97 2.77 -0.17 -5.34 3.01 -1.26 -4.57 117.46 116.87 3i89 n PHE 949 Ca -0.10 -2.78 0.00 0.00 1.01 0.00 0.00 57.45 55.58 3i89 n PHE 949 Cb 0.50 -1.44 0.00 0.00 -0.01 0.00 0.00 39.48 38.53 3i89 n PHE 949 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 3i89 n ASN 950 N 1.98 0.00 -2.94 4.37 4.13 -1.25 -5.09 115.26 116.46 3i89 n ASN 950 Ca 0.28 0.00 -0.07 0.00 1.68 0.00 0.00 54.58 56.47 3i89 n ASN 950 Cb 0.34 0.00 -0.01 0.00 -1.54 0.00 0.00 39.78 38.57 3i89 n ASN 950 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 3i89 s PRO 951 N 4.74 1.00 -0.32 3.52 0.05 -1.17 -4.76 135.00 138.06 3i89 s PRO 951 Ca 0.00 -1.09 -0.09 0.00 0.05 0.00 0.00 61.00 59.86 3i89 s PRO 951 Cb 0.00 -0.25 0.00 0.00 0.05 0.00 0.00 34.50 34.30 3i89 s PRO 951 CO 0.00 -1.31 0.15 -0.80 0.05 0.00 0.00 177.00 175.09 3i89 s ASN 952 N 0.92 5.51 -0.74 6.66 0.01 -0.67 -4.77 114.94 121.88 3i89 s ASN 952 Ca 0.28 -0.62 -0.26 0.00 -0.71 0.00 0.00 52.86 51.55 3i89 s ASN 952 Cb -0.01 -1.99 -0.10 0.00 0.41 0.00 0.00 41.25 39.57 3i89 s ASN 952 CO -0.07 -0.22 2.30 0.26 -1.51 0.00 0.00 177.10 177.85 3i89 s TRP 953 N 1.59 1.27 0.74 2.20 0.52 -1.26 -3.38 118.94 120.61 3i89 s TRP 953 Ca 0.04 1.60 -0.15 0.00 0.02 0.00 0.00 56.10 57.61 3i89 s TRP 953 Cb -0.17 -3.61 0.04 0.00 -1.15 0.00 0.00 33.47 28.58 3i89 s TRP 953 CO 0.06 -1.85 1.21 -1.64 0.02 0.00 0.00 176.95 174.75 3i89 s MET 954 N 8.33 2.09 0.00 4.98 -1.94 -0.64 0.57 119.30 132.69 3i89 s MET 954 Ca 0.88 1.77 0.00 0.00 -1.71 0.00 0.00 55.69 56.64 3i89 s MET 954 Cb -0.13 -1.83 0.00 0.00 2.01 0.00 0.00 34.83 34.89 3i89 s MET 954 CO 0.11 -1.87 0.00 -1.13 -0.01 0.00 0.00 175.02 172.12 3i89 n SER 955 N -2.75 4.20 -3.58 3.03 3.41 -0.71 -4.62 113.62 112.60 3i89 n SER 955 Ca 0.14 0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.58 3i89 n SER 955 Cb 0.50 0.59 -0.07 0.00 -0.26 0.00 0.00 64.21 64.97 3i89 n SER 955 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i89 s ALA 956 N -1.78 -1.61 0.03 7.33 0.00 -1.20 -4.76 121.76 119.77 3i89 s ALA 956 Ca 0.00 1.29 -0.06 0.00 0.00 0.00 0.00 51.96 53.19 3i89 s ALA 956 Cb 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 23.12 22.91 3i89 s ALA 956 CO 0.00 -0.34 0.11 0.08 0.00 0.00 0.00 175.76 175.61 3i89 s VAL 957 N -0.90 0.12 0.23 0.00 1.01 -1.26 -1.42 120.40 118.17 3i89 s VAL 957 Ca -0.09 -0.98 -0.22 0.00 0.00 0.00 0.00 61.98 60.69 3i89 s VAL 957 Cb -0.02 -0.79 0.04 0.00 0.00 0.00 0.00 36.38 35.62 3i89 s VAL 957 CO 0.07 -0.54 0.72 -0.70 0.00 0.00 0.00 175.10 174.65 3i89 s GLU 958 N -2.33 1.57 -0.12 2.72 2.56 -0.71 -4.57 118.70 117.82 3i89 s GLU 958 Ca -0.07 -0.80 0.01 0.00 0.00 0.00 0.00 54.97 54.11 3i89 s GLU 958 Cb -0.03 0.58 0.02 0.00 2.00 0.00 0.00 34.13 36.70 3i89 s GLU 958 CO -0.03 -0.71 -0.14 0.42 -0.56 0.00 0.00 175.26 174.23 3i89 s ILE 959 N -3.78 1.50 -0.08 -3.70 1.01 -1.26 -2.25 121.20 112.63 3i89 s ILE 959 Ca 0.08 -0.62 -0.04 0.00 0.00 0.00 0.00 60.65 60.08 3i89 s ILE 959 Cb -0.04 -1.39 -0.27 0.00 0.01 0.00 0.00 42.46 40.78 3i89 s ILE 959 CO 0.01 0.44 0.53 -0.07 0.00 0.00 0.00 174.94 175.85 3i89 h LEU 960 N 7.67 0.38 -7.96 2.97 3.38 -1.02 -3.49 115.31 117.24 3i89 h LEU 960 Ca -0.33 -0.75 0.13 0.00 0.09 0.00 0.00 57.88 57.02 3i89 h LEU 960 Cb 1.16 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.76 3i89 h LEU 960 CO 0.50 1.66 0.53 1.51 0.09 0.00 0.00 178.44 182.72 3i89 s ASP 961 N -6.92 0.00 0.66 -0.43 -4.77 -1.19 -4.95 116.67 99.07 3i89 s ASP 961 Ca -0.17 -0.77 0.07 0.00 -3.30 0.00 0.00 52.55 48.39 3i89 s ASP 961 Cb 0.07 0.57 0.36 0.00 -1.09 0.00 0.00 42.92 42.83 3i89 s ASP 961 CO 0.80 -1.13 1.20 0.44 0.70 0.00 0.00 175.17 177.18 3i89 h ASP 962 N 2.00 0.00 0.00 2.11 5.19 -1.98 0.17 116.42 123.91 3i89 h ASP 962 Ca -0.28 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.13 3i89 h ASP 962 Cb 1.22 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.73 3i89 h ASP 962 CO 0.37 0.00 -0.83 0.47 -3.12 0.00 0.00 179.24 176.12 3i89 n ASP 963 N -2.62 4.17 -4.58 6.45 8.00 -1.26 -5.02 116.55 121.70 3i89 n ASP 963 Ca 0.01 0.00 -0.39 0.00 0.71 0.00 0.00 54.79 55.12 3i89 n ASP 963 Cb 0.90 0.60 -0.10 0.00 -0.02 0.00 0.00 41.12 42.50 3i89 n ASP 963 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 3i89 s ASN 964 N -2.22 6.10 -0.27 -2.24 -0.87 0.60 -3.87 114.94 112.17 3i89 s ASN 964 Ca 0.00 -0.06 0.03 0.00 -1.57 0.00 0.00 52.86 51.26 3i89 s ASN 964 Cb 0.00 -2.15 0.07 0.00 -0.02 0.00 0.00 41.25 39.14 3i89 s ASN 964 CO 0.00 -0.15 -0.07 -0.36 -2.57 0.00 0.00 177.10 173.95 3i89 s PHE 965 N 1.85 3.14 0.31 2.20 2.99 0.08 -0.26 117.98 128.29 3i89 s PHE 965 Ca 0.09 -2.31 -0.27 0.00 0.00 0.00 0.00 56.93 54.44 3i89 s PHE 965 Cb -0.16 -2.02 -0.09 0.00 0.00 0.00 0.00 43.02 40.74 3i89 s PHE 965 CO 0.11 -0.87 0.98 -1.17 -0.00 0.00 0.00 175.22 174.27 3i89 s LEU 966 N 1.14 4.40 -0.06 -0.37 0.20 -0.95 -1.49 118.68 121.55 3i89 s LEU 966 Ca -0.05 1.95 -0.08 0.00 0.69 0.00 0.00 54.13 56.64 3i89 s LEU 966 Cb -0.20 -3.90 0.02 0.00 -0.43 0.00 0.00 46.19 41.68 3i89 s LEU 966 CO -0.06 -0.09 0.21 -0.83 -0.29 0.00 0.00 176.35 175.29 3i89 s GLY 967 N -1.42 -0.13 0.12 7.98 0.00 -0.16 -1.74 107.32 111.98 3i89 s GLY 967 Ca 0.49 0.47 0.06 0.00 0.00 0.00 0.00 44.72 45.73 3i89 s GLY 967 CO 0.28 0.37 -0.14 0.00 0.00 0.00 0.00 173.10 173.61 3i89 s ALA 968 N -0.23 1.49 0.14 3.20 0.00 -0.51 -1.10 121.76 124.76 3i89 s ALA 968 Ca -0.03 -1.28 -0.24 0.00 0.00 0.00 0.00 51.96 50.41 3i89 s ALA 968 Cb -0.03 -0.08 0.07 0.00 0.00 0.00 0.00 23.12 23.08 3i89 s ALA 968 CO 0.01 0.12 0.77 -1.83 0.00 0.00 0.00 175.76 174.82 3i89 s GLU 969 N -2.59 1.25 0.00 0.00 1.03 -1.05 -1.73 118.70 115.60 3i89 s GLU 969 Ca 0.08 -0.57 0.00 0.00 0.03 0.00 0.00 54.97 54.51 3i89 s GLU 969 Cb -0.05 0.50 0.00 0.00 -0.80 0.00 0.00 34.13 33.78 3i89 s GLU 969 CO 0.03 -0.56 0.00 -1.71 -1.33 0.00 0.00 175.26 171.69 3i89 n ASN 970 N -0.38 0.00 -1.18 0.83 5.15 0.19 -0.60 115.26 119.27 3i89 n ASN 970 Ca -0.10 0.00 -0.05 0.00 -0.60 0.00 0.00 54.58 53.83 3i89 n ASN 970 Cb 0.62 0.00 0.18 0.00 -0.53 0.00 0.00 39.78 40.05 3i89 n ASN 970 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3i89 n ALA 971 N -1.28 4.35 -2.45 5.20 0.00 -1.26 -4.94 120.51 120.13 3i89 n ALA 971 Ca 0.00 -3.27 -0.20 0.00 0.00 0.00 0.00 53.44 49.97 3i89 n ALA 971 Cb 0.00 -0.66 -0.00 0.00 0.00 0.00 0.00 19.45 18.79 3i89 n ALA 971 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3i89 n PHE 972 N -1.08 -1.07 -4.16 0.00 3.01 0.23 -4.87 117.46 109.52 3i89 n PHE 972 Ca 0.33 0.06 -0.31 0.00 1.01 0.00 0.00 57.45 58.53 3i89 n PHE 972 Cb 0.95 -3.96 -0.08 0.00 -0.01 0.00 0.00 39.48 36.38 3i89 n PHE 972 CO 0.00 0.00 0.00 -0.80 1.01 0.00 0.00 176.76 176.97 3i89 s ASN 973 N -2.15 5.20 0.13 4.37 0.01 -1.25 -0.59 114.94 120.66 3i89 s ASN 973 Ca 0.03 -0.07 0.05 0.00 -0.71 0.00 0.00 52.86 52.16 3i89 s ASN 973 Cb -0.01 -1.33 -0.04 0.00 0.41 0.00 0.00 41.25 40.28 3i89 s ASN 973 CO 0.04 0.21 0.07 -0.76 -1.51 0.00 0.00 177.10 175.16 3i89 s LEU 974 N -2.07 3.65 0.06 0.60 1.43 0.22 -2.53 118.68 120.05 3i89 s LEU 974 Ca 0.25 -0.16 -0.24 0.00 -1.03 0.00 0.00 54.13 52.94 3i89 s LEU 974 Cb -0.12 -2.31 0.06 0.00 0.03 0.00 0.00 46.19 43.85 3i89 s LEU 974 CO 0.16 0.12 0.58 0.72 0.23 0.00 0.00 176.35 178.16 3i89 s PHE 975 N -1.58 -0.51 0.09 0.29 -0.12 -0.26 -1.59 117.98 114.31 3i89 s PHE 975 Ca 0.29 0.57 0.08 0.00 -0.05 0.00 0.00 56.93 57.82 3i89 s PHE 975 Cb -0.11 0.42 -0.03 0.00 -0.63 0.00 0.00 43.02 42.67 3i89 s PHE 975 CO 0.21 -0.70 -0.20 0.08 -0.05 0.00 0.00 175.22 174.56 3i89 s VAL 976 N -2.58 1.66 -0.01 -2.49 1.01 -0.58 -0.98 120.40 116.42 3i89 s VAL 976 Ca -0.05 -1.49 0.03 0.00 0.00 0.00 0.00 61.98 60.47 3i89 s VAL 976 Cb -0.01 -1.51 -0.00 0.00 0.00 0.00 0.00 36.38 34.86 3i89 s VAL 976 CO -0.03 -0.05 -0.10 0.00 0.00 0.00 0.00 175.10 174.92 3i89 n GLN 978 N 2.95 0.85 -4.20 0.00 10.64 -1.19 -0.74 117.38 125.69 3i89 n GLN 978 Ca -0.15 -2.99 -0.30 0.00 -1.83 0.00 0.00 57.00 51.73 3i89 n GLN 978 Cb 0.56 1.10 -0.09 0.00 -0.86 0.00 0.00 30.24 30.95 3i89 n GLN 978 CO 0.00 0.00 0.00 -1.59 -1.83 0.00 0.00 177.06 173.64 3i89 s LYS 979 N -3.43 2.40 0.27 2.61 0.00 -1.26 -2.20 119.74 118.13 3i89 s LYS 979 Ca 0.07 -0.89 -0.30 0.00 0.00 0.00 0.00 55.97 54.85 3i89 s LYS 979 Cb 0.00 -2.46 -0.10 0.00 0.00 0.00 0.00 37.83 35.28 3i89 s LYS 979 CO 0.05 0.54 1.40 0.34 0.00 0.00 0.00 175.35 177.67 3i89 s ASP 980 N -2.18 6.69 -1.18 0.03 -1.08 -1.26 -4.96 116.67 112.73 3i89 s ASP 980 Ca 0.23 2.67 -0.11 0.00 -0.52 0.00 0.00 52.55 54.82 3i89 s ASP 980 Cb -0.11 -2.63 0.21 0.00 -1.46 0.00 0.00 42.92 38.93 3i89 s ASP 980 CO 0.16 -0.65 1.36 -1.20 0.52 0.00 0.00 175.17 175.35 3i89 n SER 981 N 1.91 5.37 -3.83 -0.34 7.64 -1.26 -4.89 113.62 118.21 3i89 n SER 981 Ca 0.05 -3.03 -0.13 0.00 1.01 0.00 0.00 58.87 56.77 3i89 n SER 981 Cb 0.41 -1.49 -0.14 0.00 -1.01 0.00 0.00 64.21 61.98 3i89 n SER 981 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i89 s ALA 982 N 0.32 -0.02 0.82 -0.43 0.00 -1.26 -5.14 121.76 116.05 3i89 s ALA 982 Ca 0.38 0.15 -0.15 0.00 0.00 0.00 0.00 51.96 52.34 3i89 s ALA 982 Cb -0.04 -0.11 -0.01 0.00 0.00 0.00 0.00 23.12 22.96 3i89 s ALA 982 CO -0.02 -0.04 0.46 0.00 0.00 0.00 0.00 175.76 176.15 3i89 n ALA 983 N 3.43 -2.01 -2.51 0.00 0.00 -1.26 -4.13 120.51 114.03 3i89 n ALA 983 Ca -0.17 -0.39 -0.07 0.00 0.00 0.00 0.00 53.44 52.81 3i89 n ALA 983 Cb 0.57 -1.82 0.03 0.00 0.00 0.00 0.00 19.45 18.23 3i89 n ALA 983 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3i89 n THR 984 N -2.86 -2.70 -0.46 0.00 -2.24 -1.26 -4.79 114.28 99.98 3i89 n THR 984 Ca 0.08 -0.26 -0.03 0.00 -2.27 0.00 0.00 64.05 61.57 3i89 n THR 984 Cb 0.51 -3.65 -0.05 0.00 -2.10 0.00 0.00 70.33 65.05 3i89 n THR 984 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3i89 n THR 985 N -2.24 1.54 -0.39 4.28 -2.24 -1.26 -3.15 114.28 110.82 3i89 n THR 985 Ca -0.10 -0.60 0.00 0.00 -2.27 0.00 0.00 64.05 61.08 3i89 n THR 985 Cb 0.56 -1.54 0.00 0.00 -2.10 0.00 0.00 70.33 67.26 3i89 n THR 985 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3i89 n ASP 986 N 2.13 0.95 0.05 3.42 9.92 -1.26 -4.55 116.55 127.21 3i89 n ASP 986 Ca 0.12 -1.34 0.00 0.00 -0.53 0.00 0.00 54.79 53.04 3i89 n ASP 986 Cb 0.43 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.91 3i89 n ASP 986 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 3i89 n GLU 987 N -0.17 0.00 0.00 -1.24 4.07 -1.19 -4.67 120.64 117.44 3i89 n GLU 987 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 3i89 n GLU 987 Cb 0.24 0.00 0.03 0.00 -0.06 0.00 0.00 31.44 31.65 3i89 n GLU 987 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 3i89 n GLU 988 N -2.74 0.02 -0.04 5.31 1.02 -1.22 -1.08 120.64 121.92 3i89 n GLU 988 Ca 0.00 0.10 -0.05 0.00 -0.02 0.00 0.00 57.16 57.19 3i89 n GLU 988 Cb 0.00 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 29.87 3i89 n GLU 988 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 3i89 n ARG 989 N -1.10 1.45 0.00 3.49 3.00 -1.26 -4.32 116.66 117.92 3i89 n ARG 989 Ca 0.01 0.03 0.07 0.00 -0.00 0.00 0.00 57.85 57.96 3i89 n ARG 989 Cb 0.00 -1.19 0.43 0.00 0.00 0.00 0.00 32.46 31.70 3i89 n ARG 989 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 3i89 n GLN 990 N -2.54 0.58 -4.38 -0.14 -0.06 -0.24 -4.58 117.38 106.03 3i89 n GLN 990 Ca -0.15 0.00 -0.20 0.00 -2.00 0.00 0.00 57.00 54.66 3i89 n GLN 990 Cb 0.71 -1.38 -0.15 0.00 -4.06 0.00 0.00 30.24 25.36 3i89 n GLN 990 CO 0.00 0.00 0.00 -1.01 -0.20 0.00 0.00 177.06 175.85 3i89 s HIS 991 N -2.00 0.89 -0.04 3.69 3.76 -1.02 -3.09 115.29 117.48 3i89 s HIS 991 Ca 0.22 -0.20 0.03 0.00 -0.15 0.00 0.00 55.06 54.96 3i89 s HIS 991 Cb 0.10 -0.61 0.00 0.00 1.11 0.00 0.00 32.58 33.18 3i89 s HIS 991 CO 0.17 -0.06 -0.13 -0.48 -0.85 0.00 0.00 174.74 173.38 3i89 s LEU 992 N 0.03 1.80 0.06 0.89 0.05 0.56 -4.20 118.68 117.88 3i89 s LEU 992 Ca -0.00 -0.27 -0.07 0.00 0.05 0.00 0.00 54.13 53.84 3i89 s LEU 992 Cb -0.06 -0.77 -0.05 0.00 -2.05 0.00 0.00 46.19 43.25 3i89 s LEU 992 CO 0.00 0.09 0.33 -1.10 -0.55 0.00 0.00 176.35 175.12 3i89 s GLN 993 N 0.23 3.63 -0.97 1.48 1.11 -0.93 -4.49 119.66 119.71 3i89 s GLN 993 Ca -0.06 -0.04 -0.24 0.00 0.01 0.00 0.00 55.36 55.04 3i89 s GLN 993 Cb -0.11 -3.00 0.01 0.00 -1.01 0.00 0.00 33.01 28.91 3i89 s GLN 993 CO 0.02 0.58 1.62 -1.21 0.01 0.00 0.00 175.29 176.31 3i89 s GLU 994 N -2.07 3.21 0.00 2.91 2.02 -1.26 -3.18 118.70 120.33 3i89 s GLU 994 Ca 0.33 -0.79 0.28 0.00 0.02 0.00 0.00 54.97 54.80 3i89 s GLU 994 Cb -0.13 -5.22 0.98 0.00 0.10 0.00 0.00 34.13 29.86 3i89 s GLU 994 CO 0.20 -2.62 1.70 1.33 0.02 0.00 0.00 175.26 175.89 3i89 n VAL 995 N 7.23 0.00 -3.79 2.63 0.24 -0.73 -4.77 118.33 119.13 3i89 n VAL 995 Ca 0.35 -0.16 -0.13 0.00 -2.04 0.00 0.00 64.34 62.36 3i89 n VAL 995 Cb 0.50 0.32 -0.14 0.00 -1.47 0.00 0.00 33.84 33.05 3i89 n VAL 995 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3i89 s GLY 996 N -2.29 -0.06 0.04 7.63 0.00 -1.21 -4.41 107.32 107.01 3i89 s GLY 996 Ca 0.31 0.47 0.00 0.00 0.00 0.00 0.00 44.72 45.51 3i89 s GLY 996 CO 0.44 0.59 -0.04 1.08 0.00 0.00 0.00 173.10 175.17 3i89 s LEU 997 N 0.55 2.32 -0.29 0.66 1.43 -0.44 -1.53 118.68 121.39 3i89 s LEU 997 Ca -0.04 -0.65 -0.21 0.00 -1.03 0.00 0.00 54.13 52.19 3i89 s LEU 997 Cb -0.06 0.06 0.15 0.00 0.03 0.00 0.00 46.19 46.37 3i89 s LEU 997 CO -0.02 -0.36 1.09 0.12 0.23 0.00 0.00 176.35 177.41 3i89 s PHE 998 N -2.13 -0.41 -0.30 0.29 5.36 -0.62 -2.02 117.98 118.14 3i89 s PHE 998 Ca -0.08 0.92 -0.11 0.00 -0.96 0.00 0.00 56.93 56.70 3i89 s PHE 998 Cb -0.05 0.35 -0.03 0.00 -0.34 0.00 0.00 43.02 42.95 3i89 s PHE 998 CO -0.03 -0.20 0.19 -1.58 -1.46 0.00 0.00 175.22 172.13 3i89 s HIS 999 N 0.65 3.20 -0.14 10.12 5.65 -1.09 0.73 115.29 134.41 3i89 s HIS 999 Ca -0.01 -0.22 -0.20 0.00 0.25 0.00 0.00 55.06 54.88 3i89 s HIS 999 Cb -0.04 -2.39 -0.25 0.00 -1.18 0.00 0.00 32.58 28.72 3i89 s HIS 999 CO -0.11 -0.32 0.49 1.25 -0.65 0.00 0.00 174.74 175.40 3i89 h LEU 1000N 8.39 0.20 0.00 8.88 6.46 -1.18 -3.43 115.31 134.62 3i89 h LEU 1000Ca -0.33 -0.78 0.00 0.00 -0.12 0.00 0.00 57.88 56.65 3i89 h LEU 1000Cb 1.17 -0.06 0.00 0.00 -0.73 0.00 0.00 40.66 41.03 3i89 h LEU 1000CO 0.60 1.47 0.00 0.61 -0.62 0.00 0.00 178.44 180.49 3i89 n GLY 1001N 1.63 0.86 3.04 3.75 0.00 -0.88 -5.05 105.19 108.52 3i89 n GLY 1001Ca -0.24 -0.33 -0.10 0.00 0.00 0.00 0.00 46.02 45.35 3i89 n GLY 1001CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i89 s GLU 1002N -0.69 0.40 -0.29 1.61 0.41 -1.26 -4.95 118.70 113.93 3i89 s GLU 1002Ca 0.00 -0.55 -0.15 0.00 -0.41 0.00 0.00 54.97 53.86 3i89 s GLU 1002Cb 0.00 0.15 -0.03 0.00 -1.78 0.00 0.00 34.13 32.47 3i89 s GLU 1002CO 0.00 -0.08 0.37 0.12 -0.49 0.00 0.00 175.26 175.17 3i89 s PHE 1003N -1.56 3.23 -0.19 1.61 5.36 -1.26 -4.25 117.98 120.91 3i89 s PHE 1003Ca -0.14 0.26 -0.16 0.00 -0.96 0.00 0.00 56.93 55.93 3i89 s PHE 1003Cb -0.08 -2.61 -0.04 0.00 -0.34 0.00 0.00 43.02 39.95 3i89 s PHE 1003CO -0.00 -0.30 0.39 0.08 -1.46 0.00 0.00 175.22 173.93 3i89 s VAL 1004N 2.06 5.21 -0.13 3.12 1.01 -1.26 -1.60 120.40 128.80 3i89 s VAL 1004Ca 0.14 0.70 0.18 0.00 0.00 0.00 0.00 61.98 62.99 3i89 s VAL 1004Cb -0.16 -3.72 -0.17 0.00 0.00 0.00 0.00 36.38 32.33 3i89 s VAL 1004CO 0.11 0.27 0.70 0.59 0.00 0.00 0.00 175.10 176.77 3i89 n ASN 1005N 4.34 0.66 -3.71 3.32 3.02 0.28 -4.23 115.26 118.94 3i89 n ASN 1005Ca -0.09 0.29 -0.12 0.00 -0.03 0.00 0.00 54.58 54.64 3i89 n ASN 1005Cb 0.51 0.46 -0.10 0.00 -0.61 0.00 0.00 39.78 40.04 3i89 n ASN 1005CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3i89 s VAL 1006N -2.94 -0.01 0.10 2.41 0.11 -1.14 -4.77 120.40 114.16 3i89 s VAL 1006Ca -0.04 0.05 0.04 0.00 -2.93 0.00 0.00 61.98 59.10 3i89 s VAL 1006Cb 0.09 -0.59 -0.04 0.00 -1.53 0.00 0.00 36.38 34.31 3i89 s VAL 1006CO 0.82 0.02 0.06 -0.36 -3.33 0.00 0.00 175.10 172.31 3i89 s PHE 1007N 0.86 3.10 -0.16 1.54 0.40 -1.26 -1.55 117.98 120.91 3i89 s PHE 1007Ca -0.05 0.01 -0.28 0.00 -0.60 0.00 0.00 56.93 56.01 3i89 s PHE 1007Cb -0.06 -1.56 0.08 0.00 0.51 0.00 0.00 43.02 41.99 3i89 s PHE 1007CO -0.07 0.51 0.76 0.00 0.70 0.00 0.00 175.22 177.12 3i89 s HIS 1009N -0.49 3.11 0.00 0.00 3.76 -1.26 0.90 115.29 121.30 3i89 s HIS 1009Ca -0.05 1.36 0.00 0.00 -0.15 0.00 0.00 55.06 56.22 3i89 s HIS 1009Cb -0.02 -3.66 0.00 0.00 1.11 0.00 0.00 32.58 30.01 3i89 s HIS 1009CO 0.04 -1.88 0.00 0.41 -0.85 0.00 0.00 174.74 172.47 3i89 n GLY 1010N 1.20 -0.20 3.53 -2.22 0.00 -0.88 -4.82 105.19 101.79 3i89 n GLY 1010Ca 0.02 -1.20 -0.09 0.00 0.00 0.00 0.00 46.02 44.75 3i89 n GLY 1010CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i89 s SER 1011N 0.00 -0.36 0.00 1.61 0.15 -1.26 -4.38 113.70 109.46 3i89 s SER 1011Ca 0.00 0.11 0.19 0.00 0.70 0.00 0.00 55.95 56.95 3i89 s SER 1011Cb 0.00 0.36 0.15 0.00 -1.71 0.00 0.00 66.02 64.81 3i89 s SER 1011CO 0.00 -0.54 1.10 0.18 1.20 0.00 0.00 173.24 175.19 3i89 n LEU 1012N 0.01 2.57 0.00 3.45 4.77 -1.26 -3.38 117.00 123.16 3i89 n LEU 1012Ca -0.09 -0.99 0.00 0.00 -0.03 0.00 0.00 56.01 54.90 3i89 n LEU 1012Cb 0.61 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.70 3i89 n LEU 1012CO 0.12 0.45 0.00 1.33 -1.33 0.00 0.00 177.39 177.96 3i89 n VAL 1013N 1.03 0.00 -3.05 4.08 0.24 -1.26 -4.27 118.33 115.09 3i89 n VAL 1013Ca 0.11 0.00 0.08 0.00 -2.04 0.00 0.00 64.34 62.49 3i89 n VAL 1013Cb 0.48 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.83 3i89 n VAL 1013CO 0.00 0.00 0.00 1.15 -2.14 0.00 0.00 176.83 175.84 3i89 n MET 1014N 0.00 -1.15 0.00 7.34 0.00 -1.26 -4.35 117.12 117.71 3i89 n MET 1014Ca 0.00 0.75 0.00 0.00 0.00 0.00 0.00 57.70 58.45 3i89 n MET 1014Cb 0.00 -1.40 0.00 0.00 0.00 0.00 0.00 33.22 31.82 3i89 n MET 1014CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 175.97 177.01 3i89 n GLN 1015N -2.59 0.00 0.00 3.17 1.13 -1.26 -4.13 117.38 113.70 3i89 n GLN 1015Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 3i89 n GLN 1015Cb 0.26 -1.60 0.00 0.00 0.11 0.00 0.00 30.24 29.01 3i89 n GLN 1015CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 3i89 n PRO 1023N -0.74 0.00 -3.83 -1.09 -0.04 -1.26 -4.07 135.00 123.97 3i89 n PRO 1023Ca 0.00 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.34 3i89 n PRO 1023Cb 0.31 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.66 3i89 n PRO 1023CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3i89 s THR 1024N 0.00 0.03 0.20 0.52 -4.23 -1.26 -4.61 115.64 106.29 3i89 s THR 1024Ca 0.00 -0.28 0.08 0.00 -1.18 0.00 0.00 61.69 60.31 3i89 s THR 1024Cb 0.00 -0.35 -0.04 0.00 1.34 0.00 0.00 72.50 73.45 3i89 s THR 1024CO 0.00 -0.15 -0.03 -1.58 -0.54 0.00 0.00 174.62 172.31 3i89 s GLN 1025N -0.53 2.26 0.45 3.99 0.74 -1.12 -4.95 119.66 120.50 3i89 s GLN 1025Ca -0.06 -1.25 0.00 0.00 0.05 0.00 0.00 55.36 54.10 3i89 s GLN 1025Cb -0.04 -2.24 0.00 0.00 1.10 0.00 0.00 33.01 31.84 3i89 s GLN 1025CO 0.01 0.42 0.00 0.41 -0.55 0.00 0.00 175.29 175.58 3i89 n GLY 1026N -0.30 -2.85 3.15 2.59 0.00 -1.26 -0.91 105.19 105.61 3i89 n GLY 1026Ca -0.09 -1.15 0.05 0.00 0.00 0.00 0.00 46.02 44.83 3i89 n GLY 1026CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i89 s SER 1027N -6.77 -0.95 -0.09 1.61 0.15 -1.26 -4.42 113.70 101.97 3i89 s SER 1027Ca 0.00 0.46 0.02 0.00 0.70 0.00 0.00 55.95 57.13 3i89 s SER 1027Cb 0.00 1.74 -0.02 0.00 -1.71 0.00 0.00 66.02 66.04 3i89 s SER 1027CO 0.00 -0.18 -0.14 -0.69 1.20 0.00 0.00 173.24 173.43 3i89 s VAL 1028N 2.90 2.99 0.24 4.45 1.01 -0.76 -2.08 120.40 129.15 3i89 s VAL 1028Ca 0.12 -0.72 0.07 0.00 0.00 0.00 0.00 61.98 61.45 3i89 s VAL 1028Cb -0.11 -2.21 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 3i89 s VAL 1028CO -0.18 0.56 0.16 -0.76 0.00 0.00 0.00 175.10 174.88 3i89 s LEU 1029N -0.15 3.74 0.07 3.92 1.43 0.26 0.42 118.68 128.36 3i89 s LEU 1029Ca -0.01 -0.27 -0.05 0.00 -1.03 0.00 0.00 54.13 52.77 3i89 s LEU 1029Cb -0.14 -2.28 -0.02 0.00 0.03 0.00 0.00 46.19 43.78 3i89 s LEU 1029CO 0.03 -0.01 0.09 0.72 0.23 0.00 0.00 176.35 177.41 3i89 s PHE 1030N -2.07 0.31 0.01 0.29 -0.12 -0.80 -0.73 117.98 114.87 3i89 s PHE 1030Ca 0.32 -0.78 0.03 0.00 -0.05 0.00 0.00 56.93 56.45 3i89 s PHE 1030Cb -0.08 -0.21 -0.01 0.00 -0.63 0.00 0.00 43.02 42.09 3i89 s PHE 1030CO 0.24 -0.45 -0.09 0.20 -0.05 0.00 0.00 175.22 175.06 3i89 s GLY 1031N -2.80 0.48 0.14 1.99 0.00 -0.60 -2.64 107.32 103.90 3i89 s GLY 1031Ca 0.05 -0.49 0.07 0.00 0.00 0.00 0.00 44.72 44.34 3i89 s GLY 1031CO -0.10 -0.46 -0.15 -0.51 0.00 0.00 0.00 173.10 171.88 3i89 s THR 1032N -0.47 1.50 0.42 0.90 -4.23 -1.00 -0.56 115.64 112.20 3i89 s THR 1032Ca 0.01 -1.81 0.17 0.00 -1.18 0.00 0.00 61.69 58.88 3i89 s THR 1032Cb -0.05 -1.66 0.17 0.00 1.34 0.00 0.00 72.50 72.30 3i89 s THR 1032CO 0.00 -0.40 1.45 0.58 -0.54 0.00 0.00 174.62 175.71 3i89 h VAL 1033N 3.38 0.00 -0.00 2.29 2.07 -1.55 -2.38 116.25 120.07 3i89 h VAL 1033Ca -0.40 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.12 3i89 h VAL 1033Cb 1.20 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 3i89 h VAL 1033CO 0.51 0.00 -0.65 0.59 0.02 0.00 0.00 177.57 178.04 3i89 n ASN 1034N -2.44 0.66 0.00 0.57 4.13 -1.26 -3.21 115.26 113.71 3i89 n ASN 1034Ca -0.01 -0.83 0.00 0.00 1.68 0.00 0.00 54.58 55.42 3i89 n ASN 1034Cb 0.50 1.00 0.00 0.00 -1.54 0.00 0.00 39.78 39.74 3i89 n ASN 1034CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3i89 n GLY 1035N 1.32 0.83 3.74 7.41 0.00 -0.93 0.09 105.19 117.66 3i89 n GLY 1035Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 3i89 n GLY 1035CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3i89 s MET 1036N -0.43 4.70 -0.24 1.61 0.00 -1.26 -4.29 119.30 119.38 3i89 s MET 1036Ca 0.00 1.61 0.02 0.00 0.00 0.00 0.00 55.69 57.32 3i89 s MET 1036Cb 0.00 -3.29 0.05 0.00 0.00 0.00 0.00 34.83 31.60 3i89 s MET 1036CO 0.00 0.25 -0.12 0.42 0.00 0.00 0.00 175.02 175.57 3i89 s ILE 1037N -0.59 2.10 0.20 10.11 1.01 -1.06 -2.38 121.20 130.59 3i89 s ILE 1037Ca 0.46 -1.47 0.02 0.00 0.00 0.00 0.00 60.65 59.66 3i89 s ILE 1037Cb -0.27 -2.16 0.02 0.00 0.01 0.00 0.00 42.46 40.05 3i89 s ILE 1037CO 0.34 0.08 0.18 0.61 0.00 0.00 0.00 174.94 176.14 3i89 n GLY 1038N 4.48 2.72 3.28 6.18 0.00 -1.08 0.22 105.19 121.00 3i89 n GLY 1038Ca -0.15 -2.20 -0.13 0.00 0.00 0.00 0.00 46.02 43.54 3i89 n GLY 1038CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3i89 s LEU 1039N 0.00 0.37 -0.15 0.99 2.96 -0.13 -1.91 118.68 120.81 3i89 s LEU 1039Ca 0.13 0.81 0.01 0.00 -0.22 0.00 0.00 54.13 54.86 3i89 s LEU 1039Cb -0.01 1.35 0.02 0.00 0.50 0.00 0.00 46.19 48.05 3i89 s LEU 1039CO 0.08 -0.15 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.13 3i89 s VAL 1040N 0.46 1.62 0.25 1.68 1.01 0.17 -2.31 120.40 123.27 3i89 s VAL 1040Ca -0.02 -0.66 0.08 0.00 0.00 0.00 0.00 61.98 61.38 3i89 s VAL 1040Cb -0.04 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.79 3i89 s VAL 1040CO -0.02 0.47 0.06 -0.89 0.00 0.00 0.00 175.10 174.71 3i89 s THR 1041N 1.42 3.79 0.50 3.92 2.01 -0.60 -1.82 115.64 124.87 3i89 s THR 1041Ca 0.04 -1.69 -0.01 0.00 0.31 0.00 0.00 61.69 60.34 3i89 s THR 1041Cb -0.13 -3.02 0.01 0.00 0.01 0.00 0.00 72.50 69.37 3i89 s THR 1041CO -0.10 -0.33 0.75 -0.44 -0.69 0.00 0.00 174.62 173.81 3i89 s SER 1042N -3.62 5.68 0.14 3.53 0.01 -0.09 -1.61 113.70 117.74 3i89 s SER 1042Ca 0.31 0.36 -0.03 0.00 1.31 0.00 0.00 55.95 57.91 3i89 s SER 1042Cb -0.07 -1.48 -0.03 0.00 0.21 0.00 0.00 66.02 64.64 3i89 s SER 1042CO 0.21 -0.87 0.11 -0.76 0.41 0.00 0.00 173.24 172.34 3i89 s LEU 1043N -4.71 1.55 -0.21 2.44 1.43 -0.70 -2.80 118.68 115.67 3i89 s LEU 1043Ca 0.51 -1.17 -0.09 0.00 -1.03 0.00 0.00 54.13 52.35 3i89 s LEU 1043Cb -0.10 0.48 -0.05 0.00 0.03 0.00 0.00 46.19 46.55 3i89 s LEU 1043CO 0.40 -0.77 0.11 -0.94 0.23 0.00 0.00 176.35 175.38 3i89 s SER 1044N -3.05 5.90 0.10 2.29 1.04 -1.26 -4.78 113.70 113.95 3i89 s SER 1044Ca 0.24 0.10 -0.01 0.00 0.48 0.00 0.00 55.95 56.77 3i89 s SER 1044Cb 0.07 -2.04 0.22 0.00 0.10 0.00 0.00 66.02 64.36 3i89 s SER 1044CO 0.03 0.12 0.51 -1.84 0.98 0.00 0.00 173.24 173.04 3i89 n GLU 1045N 3.92 -0.03 0.29 4.02 0.00 -1.26 0.21 120.64 127.80 3i89 n GLU 1045Ca -0.16 0.50 -0.16 0.00 0.00 0.00 0.00 57.16 57.34 3i89 n GLU 1045Cb 0.52 -0.77 -0.08 0.00 0.00 0.00 0.00 31.44 31.10 3i89 n GLU 1045CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 3i89 h SER 1046N 0.00 -0.60 -0.69 -1.84 4.64 -1.99 -0.61 113.55 112.45 3i89 h SER 1046Ca 0.18 -0.02 0.06 0.00 -0.47 0.00 0.00 61.79 61.54 3i89 h SER 1046Cb 0.35 0.16 -0.04 0.00 -0.31 0.00 0.00 62.40 62.55 3i89 h SER 1046CO -0.32 -0.37 0.46 -0.50 -0.87 0.00 0.00 176.83 175.23 3i89 h TRP 1047N -0.80 0.74 0.17 4.77 4.06 0.22 0.22 115.95 125.32 3i89 h TRP 1047Ca -0.07 0.02 0.01 0.00 2.06 0.00 0.00 58.89 60.91 3i89 h TRP 1047Cb 0.59 -0.24 -0.04 0.00 -1.00 0.00 0.00 29.16 28.46 3i89 h TRP 1047CO -0.02 0.40 -0.41 -0.92 -3.56 0.00 0.00 178.44 173.93 3i89 h TYR 1048N 0.74 -1.13 -0.50 0.49 3.20 -0.32 -2.12 116.97 117.33 3i89 h TYR 1048Ca 0.29 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 62.11 3i89 h TYR 1048Cb 0.22 0.47 -0.02 0.00 1.54 0.00 0.00 36.73 38.95 3i89 h TYR 1048CO -0.00 -0.52 0.01 -0.91 -1.64 0.00 0.00 178.16 175.10 3i89 h ASN 1049N -0.67 0.85 -0.98 -2.11 2.35 0.74 0.62 115.58 116.38 3i89 h ASN 1049Ca 0.01 -0.30 0.22 0.00 -0.55 0.00 0.00 56.30 55.68 3i89 h ASN 1049Cb 0.68 -0.23 -0.09 0.00 0.05 0.00 0.00 38.32 38.73 3i89 h ASN 1049CO -0.21 0.95 0.63 0.25 -1.65 0.00 0.00 177.43 177.40 3i89 h LEU 1050N 0.74 0.55 0.05 1.61 6.46 -0.65 -0.95 115.31 123.11 3i89 h LEU 1050Ca 0.14 0.07 -0.32 0.00 -0.12 0.00 0.00 57.88 57.66 3i89 h LEU 1050Cb 0.51 -0.02 -0.04 0.00 -0.73 0.00 0.00 40.66 40.38 3i89 h LEU 1050CO 0.02 0.18 -1.78 -0.07 -0.62 0.00 0.00 178.44 176.17 3i89 h LEU 1051N 0.52 0.17 0.58 2.25 3.38 -0.13 -2.75 115.31 119.33 3i89 h LEU 1051Ca 0.55 -0.36 -0.03 0.00 0.09 0.00 0.00 57.88 58.13 3i89 h LEU 1051Cb 1.18 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 41.88 3i89 h LEU 1051CO -0.28 1.32 -0.28 0.25 0.09 0.00 0.00 178.44 179.53 3i89 h LEU 1052N 0.03 -0.66 -0.46 1.67 6.46 0.57 0.16 115.31 123.07 3i89 h LEU 1052Ca -0.32 -0.01 0.09 0.00 -0.12 0.00 0.00 57.88 57.52 3i89 h LEU 1052Cb 2.02 0.17 -0.10 0.00 -0.73 0.00 0.00 40.66 42.02 3i89 h LEU 1052CO 0.09 -0.42 -0.30 -0.78 -0.62 0.00 0.00 178.44 176.41 3i89 h ASP 1053N -0.86 -1.01 0.24 1.25 3.58 -1.33 0.19 116.42 118.48 3i89 h ASP 1053Ca -0.08 0.19 0.00 0.00 0.42 0.00 0.00 57.03 57.56 3i89 h ASP 1053Cb 0.63 0.50 0.00 0.00 1.72 0.00 0.00 39.33 42.18 3i89 h ASP 1053CO 0.13 -0.30 0.00 -0.03 -2.88 0.00 0.00 179.24 176.16 3i89 h MET 1054N -0.20 0.00 -0.17 0.28 4.05 -1.16 0.93 114.93 118.67 3i89 h MET 1054Ca 0.20 0.00 -0.07 0.00 -0.28 0.00 0.00 59.70 59.55 3i89 h MET 1054Cb 0.52 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.32 3i89 h MET 1054CO -0.57 0.00 -0.18 1.96 0.23 0.00 0.00 176.91 178.35 3i89 h GLN 1055N 0.00 0.42 -0.08 0.39 4.20 0.23 -2.29 115.11 117.99 3i89 h GLN 1055Ca 0.00 -0.22 -0.03 0.00 0.06 0.00 0.00 58.65 58.45 3i89 h GLN 1055Cb 0.12 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.91 3i89 h GLN 1055CO 0.00 0.79 -0.08 -0.91 -0.67 0.00 0.00 178.83 177.96 3i89 h ASN 1056N 0.07 0.21 -0.54 1.46 -0.26 -0.37 -0.60 115.58 115.54 3i89 h ASN 1056Ca 0.03 -0.49 0.10 0.00 -0.56 0.00 0.00 56.30 55.37 3i89 h ASN 1056Cb 0.72 -0.06 -0.08 0.00 -1.06 0.00 0.00 38.32 37.84 3i89 h ASN 1056CO 0.04 0.66 0.10 0.03 -1.06 0.00 0.00 177.43 177.20 3i89 h ARG 1057N -0.24 0.23 -0.25 0.81 3.08 -1.26 -2.50 114.38 114.25 3i89 h ARG 1057Ca 0.01 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.00 3i89 h ARG 1057Cb 0.60 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.59 3i89 h ARG 1057CO 0.02 0.15 -0.04 -0.07 -1.07 0.00 0.00 179.97 178.96 3i89 h LEU 1058N 0.23 0.36 -0.17 3.04 3.38 -1.09 -3.08 115.31 117.98 3i89 h LEU 1058Ca 0.28 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.15 3i89 h LEU 1058Cb 0.40 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 3i89 h LEU 1058CO -0.37 0.45 -0.03 0.78 0.09 0.00 0.00 178.44 179.36 3i89 h ASN 1059N 0.37 0.32 -1.03 -0.43 2.35 -0.64 -2.41 115.58 114.10 3i89 h ASN 1059Ca 0.08 -0.35 0.28 0.00 -0.55 0.00 0.00 56.30 55.76 3i89 h ASN 1059Cb 0.31 -0.09 -0.12 0.00 0.05 0.00 0.00 38.32 38.47 3i89 h ASN 1059CO 0.01 0.59 0.62 0.11 -1.65 0.00 0.00 177.43 177.11 3i89 h LYS 1060N 0.04 0.45 0.04 0.81 1.57 -1.47 -2.88 116.57 115.13 3i89 h LYS 1060Ca 0.04 -0.03 -0.16 0.00 -1.87 0.00 0.00 60.65 58.64 3i89 h LYS 1060Cb 0.44 -0.10 0.02 0.00 0.08 0.00 0.00 32.23 32.67 3i89 h LYS 1060CO 0.01 0.30 -0.66 0.28 -0.57 0.00 0.00 179.45 178.81 3i89 h VAL 1061N 0.46 1.45 -3.22 0.50 2.07 -1.50 -3.45 116.25 112.57 3i89 h VAL 1061Ca 0.66 -2.21 -0.55 0.00 0.82 0.00 0.00 66.70 65.42 3i89 h VAL 1061Cb 1.45 2.77 -0.02 0.00 -1.52 0.00 0.00 31.29 33.97 3i89 h VAL 1061CO -0.46 0.64 0.57 -0.63 0.02 0.00 0.00 177.57 177.71 3i89 s ILE 1062N -2.99 4.50 -0.52 4.57 1.01 -0.93 -5.01 121.20 121.83 3i89 s ILE 1062Ca -0.13 1.79 -0.28 0.00 0.00 0.00 0.00 60.65 62.04 3i89 s ILE 1062Cb 0.03 -4.15 0.03 0.00 0.01 0.00 0.00 42.46 38.38 3i89 s ILE 1062CO 0.82 0.05 1.10 -1.59 0.00 0.00 0.00 174.94 175.33 3i89 s LYS 1063N 1.72 3.57 0.35 2.79 0.00 -1.26 -4.91 119.74 122.00 3i89 s LYS 1063Ca 0.53 0.30 -0.25 0.00 0.00 0.00 0.00 55.97 56.55 3i89 s LYS 1063Cb -0.23 -3.96 -0.10 0.00 0.00 0.00 0.00 37.83 33.54 3i89 s LYS 1063CO 0.23 -1.47 1.00 -1.54 0.00 0.00 0.00 175.35 173.57 3i89 s SER 1064N 2.64 7.09 0.01 0.03 1.04 -1.26 -4.98 113.70 118.27 3i89 s SER 1064Ca 0.42 1.94 -0.05 0.00 0.48 0.00 0.00 55.95 58.75 3i89 s SER 1064Cb -0.08 -2.58 -0.03 0.00 0.10 0.00 0.00 66.02 63.43 3i89 s SER 1064CO 0.27 -0.25 1.08 0.58 0.98 0.00 0.00 173.24 175.90 3i89 h VAL 1065N 2.45 0.00 -0.23 5.02 2.07 -1.89 -1.37 116.25 122.30 3i89 h VAL 1065Ca -0.47 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 66.91 3i89 h VAL 1065Cb 1.20 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.90 3i89 h VAL 1065CO 0.64 0.00 0.17 0.61 0.02 0.00 0.00 177.57 179.01 3i89 n GLY 1066N -1.09 2.82 4.22 2.17 0.00 -1.26 -4.50 105.19 107.55 3i89 n GLY 1066Ca -0.02 -0.35 -0.33 0.00 0.00 0.00 0.00 46.02 45.32 3i89 n GLY 1066CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i89 n LYS 1067N 0.41 -2.36 -3.66 1.61 4.76 -0.52 -4.87 118.16 113.53 3i89 n LYS 1067Ca 0.14 0.29 -0.38 0.00 -2.87 0.00 0.00 58.31 55.49 3i89 n LYS 1067Cb 0.69 -4.58 -0.06 0.00 -1.84 0.00 0.00 35.03 29.24 3i89 n LYS 1067CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3i89 s ILE 1068N -3.69 5.23 -0.30 -0.18 1.01 -1.26 -5.00 121.20 117.00 3i89 s ILE 1068Ca 0.41 0.58 -0.29 0.00 0.00 0.00 0.00 60.65 61.35 3i89 s ILE 1068Cb -0.23 -3.58 -0.01 0.00 0.01 0.00 0.00 42.46 38.65 3i89 s ILE 1068CO 0.95 0.59 1.50 -0.70 0.00 0.00 0.00 174.94 177.29 3i89 s GLU 1069N -1.04 3.71 0.31 2.79 2.56 -1.26 -4.77 118.70 121.00 3i89 s GLU 1069Ca 0.20 1.34 0.05 0.00 0.00 0.00 0.00 54.97 56.56 3i89 s GLU 1069Cb -0.15 -4.01 0.83 0.00 2.00 0.00 0.00 34.13 32.80 3i89 s GLU 1069CO 0.09 -1.39 1.60 1.25 -0.56 0.00 0.00 175.26 176.26 3i89 h HIS 1070N 10.62 0.24 0.00 5.30 -0.00 -1.96 0.35 115.15 129.69 3i89 h HIS 1070Ca -0.30 0.06 -0.06 0.00 -0.00 0.00 0.00 60.37 60.07 3i89 h HIS 1070Cb 1.13 0.05 -0.01 0.00 -0.00 0.00 0.00 27.41 28.58 3i89 h HIS 1070CO 0.92 -0.36 -0.27 0.66 -0.00 0.00 0.00 177.93 178.88 3i89 h SER 1071N 0.08 0.00 -0.24 3.26 4.64 -1.97 -0.99 113.55 118.34 3i89 h SER 1071Ca 0.62 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.77 3i89 h SER 1071Cb 1.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.44 3i89 h SER 1071CO -0.80 0.27 -0.51 0.15 -0.87 0.00 0.00 176.83 175.07 3i89 h PHE 1072N 0.00 0.97 0.11 4.77 3.57 -0.83 -3.18 116.94 122.36 3i89 h PHE 1072Ca -0.00 -0.36 0.02 0.00 3.53 0.00 0.00 57.97 61.16 3i89 h PHE 1072Cb 0.99 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 39.52 3i89 h PHE 1072CO 0.00 1.16 -0.30 2.35 -2.23 0.00 0.00 178.31 179.29 3i89 h TRP 1073N 0.50 -0.82 -0.07 0.41 -0.00 -0.47 -3.06 115.95 112.44 3i89 h TRP 1073Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 58.89 58.91 3i89 h TRP 1073Cb 1.12 0.35 0.00 0.00 -0.00 0.00 0.00 29.16 30.63 3i89 h TRP 1073CO 0.08 -0.41 0.00 0.54 -0.00 0.00 0.00 178.44 178.65 3i89 n ARG 1074N -5.41 1.28 -3.06 2.65 5.12 -0.41 -4.75 116.66 112.09 3i89 n ARG 1074Ca -0.07 -0.29 -0.41 0.00 -1.93 0.00 0.00 57.85 55.16 3i89 n ARG 1074Cb 0.32 -1.32 -0.06 0.00 -1.16 0.00 0.00 32.46 30.24 3i89 n ARG 1074CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 3i89 s SER 1075N -0.54 6.66 0.21 0.55 0.01 -1.16 -2.67 113.70 116.76 3i89 s SER 1075Ca 0.05 0.81 -0.30 0.00 1.31 0.00 0.00 55.95 57.82 3i89 s SER 1075Cb 0.03 -2.36 -0.16 0.00 0.21 0.00 0.00 66.02 63.74 3i89 s SER 1075CO 0.02 -0.38 0.93 0.33 0.41 0.00 0.00 173.24 174.55 3i89 n PHE 1076N 5.61 0.76 -3.64 2.43 7.35 0.11 -4.58 117.46 125.50 3i89 n PHE 1076Ca 0.01 0.79 -0.06 0.00 -0.76 0.00 0.00 57.45 57.43 3i89 n PHE 1076Cb 0.49 -2.17 -0.07 0.00 0.35 0.00 0.00 39.48 38.08 3i89 n PHE 1076CO 0.00 0.00 0.00 -1.58 -0.76 0.00 0.00 176.76 174.42 3i89 s HIS 1077N -0.72 -0.95 0.30 -5.13 5.65 -1.26 -1.93 115.29 111.25 3i89 s HIS 1077Ca 0.66 1.90 0.03 0.00 0.25 0.00 0.00 55.06 57.91 3i89 s HIS 1077Cb -0.84 0.57 -0.04 0.00 -1.18 0.00 0.00 32.58 31.09 3i89 s HIS 1077CO 0.56 -0.47 0.17 0.95 -0.65 0.00 0.00 174.74 175.31 3i89 s THR 1078N 1.58 0.26 0.00 0.89 -4.23 -0.38 -4.86 115.64 108.90 3i89 s THR 1078Ca -0.10 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 58.36 3i89 s THR 1078Cb -0.05 -2.50 -0.23 0.00 1.34 0.00 0.00 72.50 71.06 3i89 s THR 1078CO -0.19 0.00 3.25 1.21 -0.54 0.00 0.00 174.62 178.36 3i89 n GLU 1079N -0.57 1.77 0.00 3.99 4.07 -1.26 -3.23 120.64 125.41 3i89 n GLU 1079Ca 0.02 -0.84 0.00 0.00 -0.06 0.00 0.00 57.16 56.28 3i89 n GLU 1079Cb 0.65 -1.88 0.00 0.00 -0.06 0.00 0.00 31.44 30.15 3i89 n GLU 1079CO 0.00 0.00 0.00 2.89 -0.06 0.00 0.00 177.13 179.96 3i89 n ARG 1080N 2.44 0.00 -3.65 5.31 1.85 -1.26 -5.16 116.66 116.20 3i89 n ARG 1080Ca 0.36 0.00 -0.03 0.00 -1.00 0.00 0.00 57.85 57.18 3i89 n ARG 1080Cb 0.82 0.00 -0.07 0.00 -1.05 0.00 0.00 32.46 32.16 3i89 n ARG 1080CO 0.00 0.00 0.00 0.21 -0.01 0.00 0.00 177.63 177.83 3i89 s LYS 1081N 0.00 0.22 -0.33 2.89 2.20 -1.20 -5.13 119.74 118.39 3i89 s LYS 1081Ca 0.00 0.31 -0.02 0.00 -0.36 0.00 0.00 55.97 55.90 3i89 s LYS 1081Cb 0.00 0.08 0.12 0.00 -1.51 0.00 0.00 37.83 36.52 3i89 s LYS 1081CO 0.00 -0.03 0.18 0.99 -0.36 0.00 0.00 175.35 176.12 3i89 s THR 1082N 0.60 0.12 0.02 3.43 2.01 -1.26 -1.25 115.64 119.30 3i89 s THR 1082Ca -0.01 -1.34 -0.03 0.00 0.31 0.00 0.00 61.69 60.61 3i89 s THR 1082Cb -0.04 -1.11 -0.04 0.00 0.01 0.00 0.00 72.50 71.32 3i89 s THR 1082CO -0.12 -0.87 0.22 -1.61 -0.69 0.00 0.00 174.62 171.55 3i89 s GLU 1083N 1.48 3.49 0.71 4.92 0.41 -0.81 -4.94 118.70 123.96 3i89 s GLU 1083Ca 0.14 -0.25 -0.12 0.00 -0.41 0.00 0.00 54.97 54.32 3i89 s GLU 1083Cb -0.20 -3.07 0.03 0.00 -1.78 0.00 0.00 34.13 29.11 3i89 s GLU 1083CO -0.15 0.64 1.09 -1.25 -0.49 0.00 0.00 175.26 175.11 3i89 s PRO 1084N -2.02 2.58 0.11 0.39 0.04 -1.26 0.04 135.00 134.87 3i89 s PRO 1084Ca 0.29 1.23 -0.30 0.00 0.04 0.00 0.00 61.00 62.26 3i89 s PRO 1084Cb -0.13 -1.93 -0.07 0.00 0.04 0.00 0.00 34.50 32.41 3i89 s PRO 1084CO 0.20 -1.40 1.23 0.00 0.04 0.00 0.00 177.00 177.06 3i89 s ALA 1085N -2.69 3.44 -0.03 8.56 0.00 -1.26 -4.64 121.76 125.15 3i89 s ALA 1085Ca 0.63 0.92 0.06 0.00 0.00 0.00 0.00 51.96 53.58 3i89 s ALA 1085Cb -0.18 -3.45 -0.01 0.00 0.00 0.00 0.00 23.12 19.48 3i89 s ALA 1085CO 0.50 -0.44 -0.22 0.95 0.00 0.00 0.00 175.76 176.55 3i89 s THR 1086N 0.71 1.73 -0.83 0.00 -4.23 -0.85 -4.81 115.64 107.34 3i89 s THR 1086Ca 0.58 -0.92 0.00 0.00 -1.18 0.00 0.00 61.69 60.17 3i89 s THR 1086Cb -0.32 -1.44 0.00 0.00 1.34 0.00 0.00 72.50 72.08 3i89 s THR 1086CO 0.32 0.49 0.00 0.61 -0.54 0.00 0.00 174.62 175.49 3i89 n GLY 1087N 2.68 0.72 3.00 3.99 0.00 -1.26 -1.33 105.19 112.99 3i89 n GLY 1087Ca -0.16 -0.63 -0.13 0.00 0.00 0.00 0.00 46.02 45.10 3i89 n GLY 1087CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i89 s PHE 1088N -2.34 0.48 -0.07 1.61 0.40 -1.26 -0.44 117.98 116.36 3i89 s PHE 1088Ca 0.00 -0.30 -0.01 0.00 -0.60 0.00 0.00 56.93 56.02 3i89 s PHE 1088Cb 0.00 -0.30 0.03 0.00 0.51 0.00 0.00 43.02 43.26 3i89 s PHE 1088CO 0.00 -0.06 -0.00 0.42 0.70 0.00 0.00 175.22 176.28 3i89 s ILE 1089N -0.79 0.40 -0.38 0.64 1.01 -0.51 -4.95 121.20 116.62 3i89 s ILE 1089Ca -0.05 0.10 -0.25 0.00 0.00 0.00 0.00 60.65 60.44 3i89 s ILE 1089Cb -0.06 -0.54 0.02 0.00 0.01 0.00 0.00 42.46 41.88 3i89 s ILE 1089CO -0.00 0.26 0.90 1.51 0.00 0.00 0.00 174.94 177.61 3i89 s ASP 1090N 1.88 6.62 0.39 3.58 3.84 -1.26 -0.26 116.67 131.47 3i89 s ASP 1090Ca 0.04 0.45 0.18 0.00 -0.00 0.00 0.00 52.55 53.22 3i89 s ASP 1090Cb -0.12 -2.45 1.10 0.00 -1.38 0.00 0.00 42.92 40.06 3i89 s ASP 1090CO -0.05 -0.87 1.76 1.23 -0.00 0.00 0.00 175.17 177.25 3i89 h GLY 1091N 10.09 1.27 -0.99 2.12 0.00 -1.67 0.16 103.07 114.05 3i89 h GLY 1091Ca -0.24 -0.21 0.28 0.00 0.00 0.00 0.00 47.33 47.17 3i89 h GLY 1091CO 0.98 -0.15 0.05 -0.55 0.00 0.00 0.00 176.54 176.86 3i89 h ASP 1092N 0.40 -0.45 0.00 0.19 5.19 -1.88 3.15 116.42 123.02 3i89 h ASP 1092Ca 0.60 0.28 -0.00 0.00 -0.62 0.00 0.00 57.03 57.30 3i89 h ASP 1092Cb 1.51 0.49 0.00 0.00 0.18 0.00 0.00 39.33 41.51 3i89 h ASP 1092CO -0.31 -0.37 -0.00 0.25 -3.12 0.00 0.00 179.24 175.69 3i89 h LEU 1093N 0.00 -0.00 -1.10 1.55 7.12 -1.10 -3.18 115.31 118.60 3i89 h LEU 1093Ca 0.62 -0.62 0.32 0.00 0.13 0.00 0.00 57.88 58.34 3i89 h LEU 1093Cb 1.30 0.00 -0.14 0.00 -0.53 0.00 0.00 40.66 41.30 3i89 h LEU 1093CO -0.93 0.80 0.62 0.40 -0.13 0.00 0.00 178.44 179.21 3i89 h ILE 1094N -1.00 0.32 0.00 4.05 1.08 0.02 0.22 117.51 122.20 3i89 h ILE 1094Ca -0.00 -0.11 -0.06 0.00 -0.39 0.00 0.00 64.86 64.29 3i89 h ILE 1094Cb 0.62 -0.03 -0.01 0.00 -3.07 0.00 0.00 36.82 34.33 3i89 h ILE 1094CO 0.00 0.06 -0.31 -0.33 -0.69 0.00 0.00 178.15 176.88 3i89 h GLU 1095N 0.32 0.00 -0.92 2.37 5.08 0.57 -2.29 114.58 119.71 3i89 h GLU 1095Ca 0.72 0.00 0.18 0.00 -1.00 0.00 0.00 59.36 59.26 3i89 h GLU 1095Cb 1.74 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.89 3i89 h GLU 1095CO -0.53 0.31 0.51 0.77 -1.00 0.00 0.00 179.01 179.06 3i89 h SER 1096N 0.00 0.61 -0.87 1.42 0.02 -0.54 -1.49 113.55 112.70 3i89 h SER 1096Ca -0.00 0.10 0.32 0.00 -0.84 0.00 0.00 61.79 61.37 3i89 h SER 1096Cb 0.59 0.01 -0.16 0.00 0.14 0.00 0.00 62.40 62.98 3i89 h SER 1096CO 0.04 0.21 0.31 0.33 -1.14 0.00 0.00 176.83 176.58 3i89 n PHE 1097N -4.85 0.86 0.21 3.45 7.35 -0.86 0.20 117.46 123.81 3i89 n PHE 1097Ca 0.21 1.03 0.08 0.00 -0.76 0.00 0.00 57.45 58.01 3i89 n PHE 1097Cb 0.53 -1.34 0.40 0.00 0.35 0.00 0.00 39.48 39.42 3i89 n PHE 1097CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 3i89 h LEU 1098N 0.00 0.00 -0.10 -2.13 3.38 -1.46 -2.67 115.31 112.33 3i89 h LEU 1098Ca 0.67 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.64 3i89 h LEU 1098Cb 1.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.40 3i89 h LEU 1098CO -0.72 0.29 -0.03 0.47 0.09 0.00 0.00 178.44 178.53 3i89 n ASP 1099N -3.44 0.18 -4.82 -0.43 8.00 0.13 -4.86 116.55 111.31 3i89 n ASP 1099Ca 0.00 -0.52 -0.36 0.00 0.71 0.00 0.00 54.79 54.62 3i89 n ASP 1099Cb 0.47 -0.14 -0.06 0.00 -0.02 0.00 0.00 41.12 41.36 3i89 n ASP 1099CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3i89 s ILE 1100N -2.38 4.68 0.38 0.53 1.01 -1.01 -5.06 121.20 119.35 3i89 s ILE 1100Ca 0.34 1.13 -0.26 0.00 0.00 0.00 0.00 60.65 61.85 3i89 s ILE 1100Cb 0.21 -3.82 -0.09 0.00 0.01 0.00 0.00 42.46 38.77 3i89 s ILE 1100CO 0.44 0.25 1.22 -0.94 0.00 0.00 0.00 174.94 175.91 3i89 s SER 1101N -1.63 6.56 0.28 3.58 1.04 -1.26 -4.84 113.70 117.43 3i89 s SER 1101Ca 0.40 2.48 -0.00 0.00 0.48 0.00 0.00 55.95 59.31 3i89 s SER 1101Cb -0.16 -2.63 0.64 0.00 0.10 0.00 0.00 66.02 63.97 3i89 s SER 1101CO 0.20 -0.66 1.64 -0.09 0.98 0.00 0.00 173.24 175.32 3i89 h ARG 1102N 2.86 0.18 -0.30 4.02 2.43 -1.97 0.08 114.38 121.68 3i89 h ARG 1102Ca -0.49 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 58.71 3i89 h ARG 1102Cb 1.23 -0.04 -0.07 0.00 -0.42 0.00 0.00 29.97 30.68 3i89 h ARG 1102CO 0.63 0.12 -0.48 -1.00 -1.51 0.00 0.00 179.97 177.73 3i89 h PRO 1103N 0.18 -0.37 0.00 0.20 0.13 -2.00 0.30 132.00 130.43 3i89 h PRO 1103Ca 0.52 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.67 3i89 h PRO 1103Cb 1.01 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.23 3i89 h PRO 1103CO -0.66 -0.25 0.00 1.63 -0.23 0.00 0.00 178.00 178.49 3i89 n LYS 1104N -5.03 0.06 -0.03 0.86 4.76 -0.14 -2.43 118.16 116.21 3i89 n LYS 1104Ca -0.04 0.41 -0.22 0.00 -2.87 0.00 0.00 58.31 55.60 3i89 n LYS 1104Cb 0.30 -1.63 -0.13 0.00 -1.84 0.00 0.00 35.03 31.73 3i89 n LYS 1104CO 0.00 0.00 0.00 -0.12 -1.37 0.00 0.00 177.40 175.91 3i89 n MET 1105N -1.74 0.69 -0.05 1.97 1.56 -0.31 -3.77 117.12 115.46 3i89 n MET 1105Ca 0.02 0.38 -0.08 0.00 -0.27 0.00 0.00 57.70 57.75 3i89 n MET 1105Cb 0.11 -1.73 -0.02 0.00 2.15 0.00 0.00 33.22 33.74 3i89 n MET 1105CO 0.00 0.00 0.00 1.96 -0.73 0.00 0.00 175.97 177.20 3i89 h GLN 1106N -0.32 -0.02 -0.83 2.12 1.08 -0.13 -1.92 115.11 115.10 3i89 h GLN 1106Ca -0.40 0.00 0.16 0.00 -1.45 0.00 0.00 58.65 56.97 3i89 h GLN 1106Cb 1.77 0.00 -0.16 0.00 -0.05 0.00 0.00 27.48 29.05 3i89 h GLN 1106CO -0.02 -0.01 -0.21 0.39 -0.95 0.00 0.00 178.83 178.03 3i89 n GLU 1107N -5.23 -0.08 0.00 1.46 1.02 -1.16 0.05 120.64 116.70 3i89 n GLU 1107Ca -0.01 1.29 0.00 0.00 -0.02 0.00 0.00 57.16 58.42 3i89 n GLU 1107Cb 0.16 -1.93 0.00 0.00 -0.02 0.00 0.00 31.44 29.65 3i89 n GLU 1107CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3i89 n VAL 1108N -5.34 0.85 -4.14 2.62 0.31 -0.72 -4.10 118.33 107.80 3i89 n VAL 1108Ca 0.13 0.23 -0.24 0.00 -0.01 0.00 0.00 64.34 64.45 3i89 n VAL 1108Cb 0.41 -1.23 -0.17 0.00 -0.91 0.00 0.00 33.84 31.95 3i89 n VAL 1108CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3i89 s VAL 1109N -2.38 0.85 -0.04 2.52 1.01 0.11 -4.84 120.40 117.63 3i89 s VAL 1109Ca 0.00 -0.25 0.03 0.00 0.00 0.00 0.00 61.98 61.76 3i89 s VAL 1109Cb 0.00 -0.86 -0.04 0.00 0.00 0.00 0.00 36.38 35.47 3i89 s VAL 1109CO 0.00 0.32 0.08 0.00 0.00 0.00 0.00 175.10 175.50 3i89 n ALA 1110N 4.45 2.18 -3.85 5.51 0.00 -1.26 -4.93 120.51 122.61 3i89 n ALA 1110Ca -0.17 -0.08 -0.06 0.00 0.00 0.00 0.00 53.44 53.13 3i89 n ALA 1110Cb 0.51 -0.11 0.03 0.00 0.00 0.00 0.00 19.45 19.88 3i89 n ALA 1110CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i89 s ASN 1111N -2.10 0.03 0.00 0.00 4.22 -1.26 -5.09 114.94 110.75 3i89 s ASN 1111Ca -0.01 -0.97 0.00 0.00 -2.14 0.00 0.00 52.86 49.74 3i89 s ASN 1111Cb 0.02 0.69 0.00 0.00 1.28 0.00 0.00 41.25 43.24 3i89 s ASN 1111CO 0.13 -1.38 0.00 -2.11 -2.04 0.00 0.00 177.10 171.69 3i89 n ARG 1122N -0.63 0.00 -0.07 3.55 1.85 -1.26 -4.69 116.66 115.41 3i89 n ARG 1122Ca -0.06 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.79 3i89 n ARG 1122Cb 0.60 -0.33 0.00 0.00 -1.05 0.00 0.00 32.46 31.68 3i89 n ARG 1122CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71 3i89 n GLU 1123N -1.33 0.00 -3.40 2.89 2.13 -1.26 -5.18 120.64 114.49 3i89 n GLU 1123Ca 0.00 0.00 0.02 0.00 0.66 0.00 0.00 57.16 57.84 3i89 n GLU 1123Cb 0.00 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 31.67 3i89 n GLU 1123CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3i89 s ALA 1124N -1.87 -2.70 0.00 4.31 0.00 -1.26 -5.18 121.76 115.07 3i89 s ALA 1124Ca 0.00 2.03 0.00 0.00 0.00 0.00 0.00 51.96 53.99 3i89 s ALA 1124Cb 0.00 -2.06 0.00 0.00 0.00 0.00 0.00 23.12 21.06 3i89 s ALA 1124CO 0.00 -0.99 0.00 2.41 0.00 0.00 0.00 175.76 177.18 3i89 n THR 1125N 5.04 0.00 0.00 0.00 -1.04 -1.26 -4.94 114.28 112.08 3i89 n THR 1125Ca -0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.92 3i89 n THR 1125Cb 0.52 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.03 3i89 n THR 1125CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3i89 n ALA 1126N -3.00 0.03 -0.95 2.41 0.00 -1.26 -4.90 120.51 112.84 3i89 n ALA 1126Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i89 n ALA 1126Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3i89 n ALA 1126CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3i89 n ASP 1127N -0.73 0.06 -0.26 0.00 5.68 -1.26 -4.74 116.55 115.30 3i89 n ASP 1127Ca 0.00 -1.01 -0.03 0.00 -0.50 0.00 0.00 54.79 53.25 3i89 n ASP 1127Cb 0.00 0.00 0.15 0.00 -1.14 0.00 0.00 41.12 40.13 3i89 n ASP 1127CO 0.00 0.00 0.00 -0.78 -1.33 0.00 0.00 177.20 175.09 3i89 h ASP 1128N 0.00 0.99 0.33 -1.12 3.58 -2.00 -3.19 116.42 115.01 3i89 h ASP 1128Ca 0.00 -0.10 -0.30 0.00 0.42 0.00 0.00 57.03 57.06 3i89 h ASP 1128Cb 0.62 -0.25 0.02 0.00 1.72 0.00 0.00 39.33 41.45 3i89 h ASP 1128CO 0.00 0.81 -1.29 -0.07 -2.88 0.00 0.00 179.24 175.82 3i89 h LEU 1129N 1.10 0.71 -1.02 2.28 -0.00 -1.96 -2.79 115.31 113.62 3i89 h LEU 1129Ca 0.27 -0.70 0.31 0.00 -0.00 0.00 0.00 57.88 57.77 3i89 h LEU 1129Cb 0.07 -0.23 -0.14 0.00 -0.00 0.00 0.00 40.66 40.36 3i89 h LEU 1129CO -0.04 1.53 0.58 -0.29 -0.00 0.00 0.00 178.44 180.22 3i89 h ILE 1130N 0.18 0.33 0.60 1.22 2.10 -1.86 0.23 117.51 120.30 3i89 h ILE 1130Ca -0.18 -0.12 -0.03 0.00 1.08 0.00 0.00 64.86 65.61 3i89 h ILE 1130Cb 1.97 -0.05 -0.00 0.00 -1.09 0.00 0.00 36.82 37.65 3i89 h ILE 1130CO 0.23 0.06 -0.37 0.50 -1.08 0.00 0.00 178.15 177.50 3i89 h LYS 1131N 0.35 -0.87 -1.09 2.19 3.64 -1.50 -2.88 116.57 116.41 3i89 h LYS 1131Ca 0.72 0.06 0.34 0.00 -1.27 0.00 0.00 60.65 60.50 3i89 h LYS 1131Cb 1.64 0.20 -0.13 0.00 -0.41 0.00 0.00 32.23 33.53 3i89 h LYS 1131CO -0.58 -0.58 0.66 0.28 -2.27 0.00 0.00 179.45 176.96 3i89 h VAL 1132N -0.90 0.30 0.00 2.00 2.07 -0.62 0.14 116.25 119.23 3i89 h VAL 1132Ca -0.08 -0.10 -0.15 0.00 0.82 0.00 0.00 66.70 67.19 3i89 h VAL 1132Cb 0.72 -0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 3i89 h VAL 1132CO 0.08 0.05 -0.73 0.58 0.02 0.00 0.00 177.57 177.57 3i89 h VAL 1133N 0.28 1.40 -0.01 2.57 2.07 -0.68 -2.76 116.25 119.12 3i89 h VAL 1133Ca 0.73 -2.61 -0.00 0.00 0.82 0.00 0.00 66.70 65.64 3i89 h VAL 1133Cb 1.86 2.45 0.00 0.00 -1.52 0.00 0.00 31.29 34.08 3i89 h VAL 1133CO -0.50 0.71 -0.01 -0.33 0.02 0.00 0.00 177.57 177.46 3i89 h GLU 1134N 0.00 0.02 -0.02 1.57 5.08 -0.59 -2.81 114.58 117.82 3i89 h GLU 1134Ca -0.01 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3i89 h GLU 1134Cb 1.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.65 3i89 h GLU 1134CO 0.09 0.57 0.00 -1.91 -1.00 0.00 0.00 179.01 176.77 3i89 n GLU 1135N -4.80 0.04 0.04 2.33 2.13 -0.19 -1.91 120.64 118.28 3i89 n GLU 1135Ca -0.09 0.00 -0.00 0.00 0.66 0.00 0.00 57.16 57.73 3i89 n GLU 1135Cb 0.29 -1.01 -0.00 0.00 0.27 0.00 0.00 31.44 30.99 3i89 n GLU 1135CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3i89 n LEU 1136N 0.12 1.12 -0.21 4.31 4.77 -1.09 -4.72 117.00 121.30 3i89 n LEU 1136Ca 0.00 0.14 0.02 0.00 -0.03 0.00 0.00 56.01 56.15 3i89 n LEU 1136Cb 0.01 -0.34 0.07 0.00 -2.33 0.00 0.00 43.42 40.82 3i89 n LEU 1136CO 0.00 -0.74 0.37 0.35 -1.33 0.00 0.00 177.39 176.04 3i89 n THR 1137N -3.51 -0.26 0.07 -5.08 -2.24 -0.80 0.14 114.28 102.60 3i89 n THR 1137Ca -0.00 1.33 0.00 0.00 -2.27 0.00 0.00 64.05 63.10 3i89 n THR 1137Cb 0.02 -1.81 0.00 0.00 -2.10 0.00 0.00 70.33 66.44 3i89 n THR 1137CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3i89 n ARG 1138N -4.91 0.04 0.00 -0.78 1.74 -1.11 -2.03 116.66 109.60 3i89 n ARG 1138Ca 0.08 0.00 0.14 0.00 -0.77 0.00 0.00 57.85 57.30 3i89 n ARG 1138Cb 0.27 -1.05 0.56 0.00 -1.02 0.00 0.00 32.46 31.22 3i89 n ARG 1138CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 3i89 n ILE 1139N -0.55 0.00 -1.42 0.55 5.41 0.37 -4.92 119.36 118.80 3i89 n ILE 1139Ca 0.00 -0.03 0.00 0.00 1.00 0.00 0.00 62.75 63.72 3i89 n ILE 1139Cb 0.00 -0.15 0.00 0.00 -0.71 0.00 0.00 39.64 38.78 3i89 n ILE 1139CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55