#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i7p s SER 2 N 0.00 3.90 -0.40 3.17 0.15 -1.26 -5.11 113.70 114.15 3i7p s SER 2 Ca 0.00 -0.31 0.01 0.00 0.70 0.00 0.00 55.95 56.35 3i7p s SER 2 Cb 0.00 -1.30 0.12 0.00 -1.71 0.00 0.00 66.02 63.13 3i7p s SER 2 CO 0.00 0.23 0.19 -0.31 1.20 0.00 0.00 173.24 174.55 3i7p s TYR 3 N -0.03 1.98 0.35 3.44 2.02 -1.26 -4.13 117.35 119.72 3i7p s TYR 3 Ca -0.04 -2.26 0.09 0.00 -0.37 0.00 0.00 57.07 54.49 3i7p s TYR 3 Cb -0.14 -1.88 -0.06 0.00 -0.40 0.00 0.00 41.96 39.48 3i7p s TYR 3 CO 0.04 -0.82 0.02 -0.80 -1.57 0.00 0.00 175.55 172.42 3i7p s ASN 4 N 0.74 4.16 -0.07 2.29 0.01 0.43 -0.43 114.94 122.06 3i7p s ASN 4 Ca 0.15 -1.02 -0.01 0.00 -0.71 0.00 0.00 52.86 51.27 3i7p s ASN 4 Cb -0.22 -0.51 0.03 0.00 0.41 0.00 0.00 41.25 40.95 3i7p s ASN 4 CO -0.07 -0.27 -0.01 -0.47 -1.51 0.00 0.00 177.10 174.77 3i7p s TYR 5 N -2.54 0.78 -0.11 2.20 5.04 0.20 -2.29 117.35 120.63 3i7p s TYR 5 Ca 0.35 -0.24 -0.01 0.00 -2.44 0.00 0.00 57.07 54.73 3i7p s TYR 5 Cb 0.01 -0.83 -0.03 0.00 0.35 0.00 0.00 41.96 41.46 3i7p s TYR 5 CO 0.19 -0.33 -0.07 0.14 -1.34 0.00 0.00 175.55 174.15 3i7p s VAL 6 N 1.78 3.68 0.01 3.14 -7.23 0.11 -1.73 120.40 120.16 3i7p s VAL 6 Ca 0.03 -0.46 0.01 0.00 -1.81 0.00 0.00 61.98 59.75 3i7p s VAL 6 Cb -0.13 -2.55 -0.01 0.00 0.56 0.00 0.00 36.38 34.26 3i7p s VAL 6 CO -0.05 0.55 -0.04 -0.69 -0.31 0.00 0.00 175.10 174.56 3i7p s VAL 7 N -0.26 0.31 0.05 1.32 1.01 -0.88 -2.23 120.40 119.72 3i7p s VAL 7 Ca 0.04 -0.47 -0.31 0.00 0.00 0.00 0.00 61.98 61.24 3i7p s VAL 7 Cb -0.13 -0.32 -0.06 0.00 0.00 0.00 0.00 36.38 35.87 3i7p s VAL 7 CO 0.03 -0.11 1.31 -0.89 0.00 0.00 0.00 175.10 175.44 3i7p s THR 8 N -0.57 3.75 -0.06 3.92 2.01 -1.26 -1.08 115.64 122.35 3i7p s THR 8 Ca -0.04 1.21 0.19 0.00 0.31 0.00 0.00 61.69 63.36 3i7p s THR 8 Cb -0.05 -3.78 -0.29 0.00 0.01 0.00 0.00 72.50 68.40 3i7p s THR 8 CO -0.00 0.06 0.35 0.00 -0.69 0.00 0.00 174.62 174.33 3i7p n ALA 9 N 4.46 2.46 -3.42 7.40 0.00 0.20 -4.89 120.51 126.71 3i7p n ALA 9 Ca 0.11 -0.64 -0.05 0.00 0.00 0.00 0.00 53.44 52.87 3i7p n ALA 9 Cb 0.44 -0.55 -0.06 0.00 0.00 0.00 0.00 19.45 19.28 3i7p n ALA 9 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3i7p s GLN 10 N -3.15 0.42 0.79 0.00 2.00 -0.11 -4.93 119.66 114.68 3i7p s GLN 10 Ca -0.08 0.89 -0.14 0.00 -2.00 0.00 0.00 55.36 54.04 3i7p s GLN 10 Cb 0.11 0.15 0.07 0.00 0.80 0.00 0.00 33.01 34.14 3i7p s GLN 10 CO 0.80 -0.48 1.22 0.15 -0.50 0.00 0.00 175.29 176.48 3i7p s LYS 11 N 2.68 1.75 0.31 1.67 1.02 -1.26 -1.87 119.74 124.05 3i7p s LYS 11 Ca 0.09 1.79 -0.27 0.00 0.02 0.00 0.00 55.97 57.60 3i7p s LYS 11 Cb -0.14 -1.78 -0.14 0.00 -0.52 0.00 0.00 37.83 35.25 3i7p s LYS 11 CO -0.17 -2.14 0.90 -2.30 -0.92 0.00 0.00 175.35 170.73 3i7p n PRO 12 N -3.13 1.12 -0.00 -1.68 -0.02 -1.26 -4.43 135.00 125.60 3i7p n PRO 12 Ca 0.14 0.40 0.04 0.00 -2.02 0.00 0.00 63.50 62.05 3i7p n PRO 12 Cb 0.50 -1.74 -0.06 0.00 -0.02 0.00 0.00 33.50 32.18 3i7p n PRO 12 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3i7p n THR 13 N -0.03 0.00 -1.64 3.45 -2.24 -0.48 -4.89 114.28 108.46 3i7p n THR 13 Ca 0.11 -0.19 -0.32 0.00 -2.27 0.00 0.00 64.05 61.38 3i7p n THR 13 Cb 0.33 0.39 0.05 0.00 -2.10 0.00 0.00 70.33 69.00 3i7p n THR 13 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i7p s ALA 14 N -2.46 2.55 -0.18 6.98 0.00 0.12 -4.69 121.76 124.09 3i7p s ALA 14 Ca -0.02 0.28 0.01 0.00 0.00 0.00 0.00 51.96 52.23 3i7p s ALA 14 Cb 0.05 -3.24 0.03 0.00 0.00 0.00 0.00 23.12 19.96 3i7p s ALA 14 CO 0.32 -1.27 -0.16 0.08 0.00 0.00 0.00 175.76 174.74 3i7p s VAL 15 N -2.75 1.86 -0.03 0.00 1.01 -1.07 -4.51 120.40 114.91 3i7p s VAL 15 Ca 0.62 -0.93 0.18 0.00 0.00 0.00 0.00 61.98 61.85 3i7p s VAL 15 Cb -0.16 -1.77 -0.28 0.00 0.00 0.00 0.00 36.38 34.17 3i7p s VAL 15 CO 0.49 0.40 0.40 0.59 0.00 0.00 0.00 175.10 176.98 3i7p n ASN 16 N 4.66 0.83 -3.61 3.32 3.02 -0.71 -4.23 115.26 118.54 3i7p n ASN 16 Ca -0.18 -0.01 -0.13 0.00 -0.03 0.00 0.00 54.58 54.23 3i7p n ASN 16 Cb 0.49 1.83 -0.07 0.00 -0.61 0.00 0.00 39.78 41.42 3i7p n ASN 16 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3i7p s GLY 17 N -4.09 -0.43 -0.22 7.41 0.00 -1.13 -4.91 107.32 103.95 3i7p s GLY 17 Ca -0.07 2.06 -0.20 0.00 0.00 0.00 0.00 44.72 46.52 3i7p s GLY 17 CO 0.76 1.57 0.57 0.00 0.00 0.00 0.00 173.10 176.00 3i7p s VAL 19 N 0.31 0.15 0.18 0.00 0.11 -0.34 -4.87 120.40 115.94 3i7p s VAL 19 Ca -0.00 -1.22 0.07 0.00 -2.93 0.00 0.00 61.98 57.90 3i7p s VAL 19 Cb -0.04 -1.10 -0.04 0.00 -1.53 0.00 0.00 36.38 33.66 3i7p s VAL 19 CO 0.01 -0.68 -0.14 0.28 -3.33 0.00 0.00 175.10 171.24 3i7p s THR 20 N -3.11 1.58 -5.00 5.04 -1.32 -1.26 -0.29 115.64 111.28 3i7p s THR 20 Ca -0.01 -2.07 0.00 0.00 -1.21 0.00 0.00 61.69 58.41 3i7p s THR 20 Cb 0.02 -1.90 0.00 0.00 -1.51 0.00 0.00 72.50 69.11 3i7p s THR 20 CO -0.07 -0.56 0.00 0.61 -2.21 0.00 0.00 174.62 172.39 3i7p n GLY 21 N -0.11 -0.25 3.01 6.08 0.00 -1.06 -4.89 105.19 107.98 3i7p n GLY 21 Ca -0.10 -1.74 -0.43 0.00 0.00 0.00 0.00 46.02 43.75 3i7p n GLY 21 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3i7p n HIS 22 N -0.93 2.60 0.07 1.61 8.25 -1.26 -1.18 115.22 124.38 3i7p n HIS 22 Ca 0.00 -2.71 -0.11 0.00 -0.26 0.00 0.00 57.72 54.63 3i7p n HIS 22 Cb 0.00 -1.40 -0.13 0.00 1.12 0.00 0.00 29.99 29.58 3i7p n HIS 22 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 3i7p h PHE 23 N 5.59 0.23 0.00 4.41 3.57 -1.83 -2.50 116.94 126.40 3i7p h PHE 23 Ca 0.23 -0.17 -0.08 0.00 3.53 0.00 0.00 57.97 61.48 3i7p h PHE 23 Cb 0.64 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.36 3i7p h PHE 23 CO 1.03 1.15 -0.52 1.15 -2.23 0.00 0.00 178.31 178.89 3i7p h THR 24 N 0.03 1.01 -3.94 4.41 2.02 -1.88 -3.39 112.91 111.18 3i7p h THR 24 Ca -0.11 -1.94 -0.13 0.00 0.77 0.00 0.00 66.41 65.00 3i7p h THR 24 Cb 1.89 2.08 -0.18 0.00 -1.74 0.00 0.00 68.15 70.21 3i7p h THR 24 CO 0.15 0.34 -0.59 -0.44 0.37 0.00 0.00 175.52 175.35 3i7p s SER 25 N -6.30 0.26 0.52 4.18 0.01 -1.26 -4.94 113.70 106.17 3i7p s SER 25 Ca -0.19 -0.63 0.34 0.00 1.31 0.00 0.00 55.95 56.77 3i7p s SER 25 Cb 0.01 0.20 1.64 0.00 0.21 0.00 0.00 66.02 68.07 3i7p s SER 25 CO 0.50 -0.49 2.03 0.00 0.41 0.00 0.00 173.24 175.70 3i7p h ALA 26 N 3.74 1.00 -3.47 1.44 0.00 -1.84 -2.93 119.26 117.19 3i7p h ALA 26 Ca -0.33 0.00 -0.64 0.00 0.00 0.00 0.00 54.91 53.94 3i7p h ALA 26 Cb 1.18 0.00 -0.40 0.00 0.00 0.00 0.00 17.79 18.57 3i7p h ALA 26 CO 0.52 0.00 -0.69 -1.21 0.00 0.00 0.00 179.25 177.87 3i7p s GLU 27 N -3.76 1.58 0.00 0.00 8.01 -1.26 -4.95 118.70 118.32 3i7p s GLU 27 Ca -0.01 -2.09 0.00 0.00 0.01 0.00 0.00 54.97 52.88 3i7p s GLU 27 Cb 0.10 -3.07 0.00 0.00 -4.31 0.00 0.00 34.13 26.85 3i7p s GLU 27 CO 0.44 -1.02 0.00 -0.25 0.01 0.00 0.00 175.26 174.43 3i7p n ASP 28 N 3.83 0.00 -4.52 -0.19 8.00 -1.11 -5.07 116.55 117.50 3i7p n ASP 28 Ca 0.04 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 55.19 3i7p n ASP 28 Cb 0.38 0.00 -0.12 0.00 -0.02 0.00 0.00 41.12 41.36 3i7p n ASP 28 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3i7p s LEU 29 N 0.00 3.57 -0.05 0.64 2.96 -1.26 -4.12 118.68 120.41 3i7p s LEU 29 Ca 0.00 -0.10 0.02 0.00 -0.22 0.00 0.00 54.13 53.83 3i7p s LEU 29 Cb 0.00 -1.93 -0.03 0.00 0.50 0.00 0.00 46.19 44.73 3i7p s LEU 29 CO 0.00 0.05 -0.09 0.20 -1.32 0.00 0.00 176.35 175.19 3i7p s ASN 30 N 1.13 4.50 -0.29 3.68 0.01 -0.32 -0.98 114.94 122.67 3i7p s ASN 30 Ca 0.04 -0.08 -0.10 0.00 -0.71 0.00 0.00 52.86 52.01 3i7p s ASN 30 Cb -0.14 -1.08 -0.02 0.00 0.41 0.00 0.00 41.25 40.42 3i7p s ASN 30 CO 0.03 0.34 0.14 -0.22 -1.51 0.00 0.00 177.10 175.89 3i7p s LEU 31 N -0.91 3.93 -0.20 0.60 2.96 -1.04 -2.55 118.68 121.48 3i7p s LEU 31 Ca 0.13 -0.31 -0.19 0.00 -0.22 0.00 0.00 54.13 53.54 3i7p s LEU 31 Cb -0.11 -2.02 -0.03 0.00 0.50 0.00 0.00 46.19 44.53 3i7p s LEU 31 CO 0.02 -0.12 0.55 -0.76 -1.32 0.00 0.00 176.35 174.72 3i7p s LEU 32 N 1.66 4.14 -0.15 -0.68 1.02 0.60 -1.41 118.68 123.86 3i7p s LEU 32 Ca 0.06 0.70 0.01 0.00 0.02 0.00 0.00 54.13 54.92 3i7p s LEU 32 Cb -0.16 -2.75 0.00 0.00 0.02 0.00 0.00 46.19 43.30 3i7p s LEU 32 CO 0.07 -0.21 -0.18 -0.63 0.02 0.00 0.00 176.35 175.42 3i7p s ILE 33 N 1.75 2.45 -0.30 -0.59 1.01 0.38 -1.19 121.20 124.71 3i7p s ILE 33 Ca 0.25 -0.84 -0.21 0.00 0.00 0.00 0.00 60.65 59.85 3i7p s ILE 33 Cb -0.16 -2.02 -0.01 0.00 0.01 0.00 0.00 42.46 40.29 3i7p s ILE 33 CO 0.10 0.53 0.64 0.00 0.00 0.00 0.00 174.94 176.21 3i7p s ALA 34 N 0.80 3.54 0.00 9.38 0.00 0.16 -0.33 121.76 135.30 3i7p s ALA 34 Ca -0.06 -0.62 0.00 0.00 0.00 0.00 0.00 51.96 51.28 3i7p s ALA 34 Cb -0.15 -3.11 0.00 0.00 0.00 0.00 0.00 23.12 19.85 3i7p s ALA 34 CO -0.00 -1.07 0.00 1.63 0.00 0.00 0.00 175.76 176.32 3i7p n LYS 35 N 5.90 0.00 -0.02 0.00 4.01 -0.03 -1.75 118.16 126.27 3i7p n LYS 35 Ca -0.01 0.00 -0.05 0.00 -0.51 0.00 0.00 58.31 57.74 3i7p n LYS 35 Cb 0.49 0.00 -0.02 0.00 -0.51 0.00 0.00 35.03 34.99 3i7p n LYS 35 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 3i7p n ASN 36 N 0.00 0.44 -2.00 4.39 5.15 -1.26 -4.01 115.26 117.96 3i7p n ASN 36 Ca 0.00 0.07 0.01 0.00 -0.60 0.00 0.00 54.58 54.06 3i7p n ASN 36 Cb 0.00 -0.17 0.05 0.00 -0.53 0.00 0.00 39.78 39.12 3i7p n ASN 36 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 3i7p n THR 37 N -3.27 0.83 -4.09 -0.44 -2.24 -1.26 -1.31 114.28 102.50 3i7p n THR 37 Ca -0.10 -2.14 -0.17 0.00 -2.27 0.00 0.00 64.05 59.37 3i7p n THR 37 Cb 0.54 0.90 -0.15 0.00 -2.10 0.00 0.00 70.33 69.51 3i7p n THR 37 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3i7p s ARG 38 N -2.00 0.47 -0.18 -0.78 1.81 -1.26 -2.07 118.95 114.95 3i7p s ARG 38 Ca 0.33 -0.09 0.01 0.00 -1.72 0.00 0.00 55.73 54.25 3i7p s ARG 38 Cb 0.36 -0.51 0.02 0.00 -0.45 0.00 0.00 34.95 34.37 3i7p s ARG 38 CO -0.10 -0.00 -0.19 -1.17 -0.68 0.00 0.00 175.30 173.16 3i7p s LEU 39 N 0.42 2.06 -0.16 2.53 2.96 0.94 -0.85 118.68 126.58 3i7p s LEU 39 Ca -0.05 -0.63 -0.08 0.00 -0.22 0.00 0.00 54.13 53.16 3i7p s LEU 39 Cb -0.08 -1.44 -0.04 0.00 0.50 0.00 0.00 46.19 45.13 3i7p s LEU 39 CO -0.00 -0.01 0.11 -1.61 -1.32 0.00 0.00 176.35 173.52 3i7p s GLU 40 N 1.32 3.82 -0.09 1.98 2.02 0.55 -1.56 118.70 126.73 3i7p s GLU 40 Ca 0.05 -0.23 0.02 0.00 0.02 0.00 0.00 54.97 54.83 3i7p s GLU 40 Cb -0.13 -3.26 -0.02 0.00 0.10 0.00 0.00 34.13 30.83 3i7p s GLU 40 CO -0.13 0.48 -0.16 0.42 0.02 0.00 0.00 175.26 175.89 3i7p s ILE 41 N -0.17 2.84 0.14 -1.63 1.01 0.17 -0.47 121.20 123.09 3i7p s ILE 41 Ca 0.09 -0.77 0.05 0.00 0.00 0.00 0.00 60.65 60.02 3i7p s ILE 41 Cb -0.12 -2.13 -0.04 0.00 0.01 0.00 0.00 42.46 40.18 3i7p s ILE 41 CO 0.01 0.56 -0.11 -0.31 0.00 0.00 0.00 174.94 175.09 3i7p s TYR 42 N -0.14 1.26 -0.12 3.97 1.51 -0.50 -1.42 117.35 121.91 3i7p s TYR 42 Ca -0.02 -0.72 -0.03 0.00 -1.01 0.00 0.00 57.07 55.29 3i7p s TYR 42 Cb -0.14 -0.65 -0.03 0.00 -0.11 0.00 0.00 41.96 41.03 3i7p s TYR 42 CO 0.04 0.09 -0.00 0.08 -1.11 0.00 0.00 175.55 174.64 3i7p s VAL 43 N -3.08 4.24 0.14 0.71 1.01 0.15 -2.49 120.40 121.08 3i7p s VAL 43 Ca 0.15 -0.25 -0.30 0.00 0.00 0.00 0.00 61.98 61.57 3i7p s VAL 43 Cb 0.01 -2.83 -0.07 0.00 0.00 0.00 0.00 36.38 33.50 3i7p s VAL 43 CO 0.01 0.54 1.04 -0.69 0.00 0.00 0.00 175.10 176.00 3i7p s VAL 44 N -0.26 4.19 0.17 2.92 1.01 -0.15 0.21 120.40 128.48 3i7p s VAL 44 Ca 0.06 1.83 0.02 0.00 0.00 0.00 0.00 61.98 63.88 3i7p s VAL 44 Cb -0.12 -4.17 -0.01 0.00 0.00 0.00 0.00 36.38 32.08 3i7p s VAL 44 CO 0.02 0.28 0.18 0.35 0.00 0.00 0.00 175.10 175.94 3i7p n THR 45 N 2.70 0.00 -0.09 3.92 -2.24 0.26 -4.69 114.28 114.14 3i7p n THR 45 Ca 0.03 -1.07 -0.09 0.00 -2.27 0.00 0.00 64.05 60.65 3i7p n THR 45 Cb 0.48 0.58 -0.02 0.00 -2.10 0.00 0.00 70.33 69.26 3i7p n THR 45 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i7p h ALA 46 N 1.61 0.39 0.00 6.98 0.00 -2.02 -2.68 119.26 123.54 3i7p h ALA 46 Ca -0.12 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 3i7p h ALA 46 Cb 0.59 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 3i7p h ALA 46 CO 0.17 -0.09 -0.08 1.49 0.00 0.00 0.00 179.25 180.74 3i7p h GLU 47 N 0.38 0.00 0.00 0.00 4.22 -1.99 -3.49 114.58 113.70 3i7p h GLU 47 Ca 0.11 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.55 3i7p h GLU 47 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 3i7p h GLU 47 CO -0.02 0.08 0.00 0.41 -2.18 0.00 0.00 179.01 177.30 3i7p n GLY 48 N -0.58 0.98 3.25 1.92 0.00 -1.01 -5.08 105.19 104.66 3i7p n GLY 48 Ca -0.01 -0.92 -0.35 0.00 0.00 0.00 0.00 46.02 44.73 3i7p n GLY 48 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i7p s LEU 49 N 0.00 3.40 -0.53 0.99 1.02 -1.26 0.89 118.68 123.19 3i7p s LEU 49 Ca 0.00 -0.82 -0.25 0.00 0.02 0.00 0.00 54.13 53.08 3i7p s LEU 49 Cb 0.00 -1.73 0.04 0.00 0.02 0.00 0.00 46.19 44.51 3i7p s LEU 49 CO 0.00 -0.15 0.95 -0.60 0.02 0.00 0.00 176.35 176.57 3i7p s ARG 50 N 1.38 3.40 0.10 1.70 3.52 0.56 -4.87 118.95 124.74 3i7p s ARG 50 Ca 0.01 -0.11 -0.31 0.00 -0.13 0.00 0.00 55.73 55.19 3i7p s ARG 50 Cb -0.17 -4.01 -0.11 0.00 -1.56 0.00 0.00 34.95 29.10 3i7p s ARG 50 CO -0.02 -1.42 1.86 -2.30 -0.81 0.00 0.00 175.30 172.61 3i7p n PRO 51 N 7.43 2.75 0.01 5.12 -0.02 -1.26 0.31 135.00 149.34 3i7p n PRO 51 Ca 0.03 1.00 -0.02 0.00 -2.02 0.00 0.00 63.50 62.49 3i7p n PRO 51 Cb 0.48 -2.90 -0.01 0.00 -0.02 0.00 0.00 33.50 31.05 3i7p n PRO 51 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3i7p n VAL 52 N 4.84 0.74 -3.69 -1.45 0.31 -0.50 -4.91 118.33 113.65 3i7p n VAL 52 Ca 0.19 0.16 -0.11 0.00 -0.01 0.00 0.00 64.34 64.57 3i7p n VAL 52 Cb 0.37 -1.62 -0.10 0.00 -0.91 0.00 0.00 33.84 31.58 3i7p n VAL 52 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 3i7p s LYS 53 N -2.09 0.48 -0.41 5.55 2.47 -1.10 -5.01 119.74 119.63 3i7p s LYS 53 Ca -0.04 0.81 0.03 0.00 -1.56 0.00 0.00 55.97 55.21 3i7p s LYS 53 Cb 0.01 0.08 0.12 0.00 -1.46 0.00 0.00 37.83 36.57 3i7p s LYS 53 CO 0.06 -0.13 0.16 -2.00 0.16 0.00 0.00 175.35 173.60 3i7p s GLU 54 N 1.12 1.49 0.13 4.03 -6.30 -1.26 0.46 118.70 118.38 3i7p s GLU 54 Ca -0.07 -2.03 0.02 0.00 -2.50 0.00 0.00 54.97 50.39 3i7p s GLU 54 Cb -0.07 -2.90 -0.04 0.00 0.00 0.00 0.00 34.13 31.12 3i7p s GLU 54 CO -0.10 -1.04 0.23 0.14 0.02 0.00 0.00 175.26 174.51 3i7p s VAL 55 N 0.51 5.16 0.22 3.70 -7.23 -0.60 -4.96 120.40 117.20 3i7p s VAL 55 Ca 0.14 -0.68 0.08 0.00 -1.81 0.00 0.00 61.98 59.71 3i7p s VAL 55 Cb -0.22 -3.62 -0.04 0.00 0.56 0.00 0.00 36.38 33.06 3i7p s VAL 55 CO -0.06 -0.03 0.00 -0.83 -0.31 0.00 0.00 175.10 173.87 3i7p s GLY 56 N -3.00 1.67 0.29 2.32 0.00 -1.26 -0.04 107.32 107.29 3i7p s GLY 56 Ca 0.34 -1.50 0.07 0.00 0.00 0.00 0.00 44.72 43.63 3i7p s GLY 56 CO 0.27 -1.54 -0.05 1.06 0.00 0.00 0.00 173.10 172.84 3i7p s MET 57 N -3.30 1.59 -0.77 2.90 -1.94 -0.88 -4.68 119.30 112.22 3i7p s MET 57 Ca 0.29 -1.81 -0.02 0.00 -1.71 0.00 0.00 55.69 52.44 3i7p s MET 57 Cb -0.08 -1.20 0.39 0.00 2.01 0.00 0.00 34.83 35.95 3i7p s MET 57 CO 0.19 0.03 2.01 0.66 -0.01 0.00 0.00 175.02 177.91 3i7p n TYR 58 N -0.62 3.09 -3.64 -0.03 4.01 -1.26 -4.82 117.16 113.89 3i7p n TYR 58 Ca -0.05 -2.62 -0.02 0.00 -0.16 0.00 0.00 57.90 55.05 3i7p n TYR 58 Cb 0.64 -1.28 -0.01 0.00 -0.31 0.00 0.00 39.34 38.38 3i7p n TYR 58 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 3i7p s GLY 59 N -1.44 -0.35 -0.26 2.72 0.00 -1.26 -4.53 107.32 102.20 3i7p s GLY 59 Ca 0.57 0.77 -0.17 0.00 0.00 0.00 0.00 44.72 45.89 3i7p s GLY 59 CO -0.25 0.20 0.48 0.54 0.00 0.00 0.00 173.10 174.06 3i7p s LYS 60 N -2.72 4.05 -0.27 2.90 1.02 -1.26 -4.26 119.74 119.20 3i7p s LYS 60 Ca 0.12 0.24 -0.28 0.00 0.02 0.00 0.00 55.97 56.06 3i7p s LYS 60 Cb 0.01 -3.66 -0.06 0.00 -0.52 0.00 0.00 37.83 33.61 3i7p s LYS 60 CO -0.03 -0.34 2.25 -0.89 -0.92 0.00 0.00 175.35 175.42 3i7p n ILE 61 N 5.15 0.27 0.11 2.17 5.41 -0.42 -1.59 119.36 130.47 3i7p n ILE 61 Ca -0.05 -0.49 0.09 0.00 1.00 0.00 0.00 62.75 63.30 3i7p n ILE 61 Cb 0.50 -2.51 -0.13 0.00 -0.71 0.00 0.00 39.64 36.79 3i7p n ILE 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3i7p n ALA 62 N 12.08 2.90 -3.17 -1.39 0.00 0.81 -4.93 120.51 126.80 3i7p n ALA 62 Ca 0.32 -0.44 -0.13 0.00 0.00 0.00 0.00 53.44 53.20 3i7p n ALA 62 Cb 0.44 -0.62 -0.12 0.00 0.00 0.00 0.00 19.45 19.14 3i7p n ALA 62 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3i7p s VAL 63 N -3.16 -0.01 -0.26 0.00 1.01 -0.77 -4.85 120.40 112.36 3i7p s VAL 63 Ca -0.05 0.03 -0.02 0.00 0.00 0.00 0.00 61.98 61.94 3i7p s VAL 63 Cb 0.12 -0.27 0.12 0.00 0.00 0.00 0.00 36.38 36.35 3i7p s VAL 63 CO 0.74 0.01 0.26 -0.32 0.00 0.00 0.00 175.10 175.79 3i7p s MET 64 N 0.28 0.27 0.06 2.72 0.00 -1.26 -2.26 119.30 119.11 3i7p s MET 64 Ca -0.02 -0.07 0.08 0.00 0.00 0.00 0.00 55.69 55.68 3i7p s MET 64 Cb -0.03 -0.86 -0.03 0.00 0.00 0.00 0.00 34.83 33.91 3i7p s MET 64 CO -0.01 -0.91 -0.21 -1.21 0.00 0.00 0.00 175.02 172.68 3i7p s GLU 65 N 2.33 1.34 0.14 4.11 0.41 -0.79 -4.85 118.70 121.39 3i7p s GLU 65 Ca 0.09 -1.00 0.00 0.00 -0.41 0.00 0.00 54.97 53.65 3i7p s GLU 65 Cb -0.15 -1.49 -0.04 0.00 -1.78 0.00 0.00 34.13 30.67 3i7p s GLU 65 CO -0.27 0.37 0.31 -0.51 -0.49 0.00 0.00 175.26 174.67 3i7p s LEU 66 N -1.35 4.30 -0.00 1.80 1.43 -1.26 0.13 118.68 123.73 3i7p s LEU 66 Ca 0.07 0.31 -0.29 0.00 -1.03 0.00 0.00 54.13 53.19 3i7p s LEU 66 Cb -0.09 -3.05 0.10 0.00 0.03 0.00 0.00 46.19 43.18 3i7p s LEU 66 CO 0.02 0.05 0.97 0.72 0.23 0.00 0.00 176.35 178.34 3i7p s PHE 67 N -1.72 -0.26 -0.21 0.29 -0.12 0.31 -4.92 117.98 111.35 3i7p s PHE 67 Ca 0.37 0.10 -0.04 0.00 -0.05 0.00 0.00 56.93 57.31 3i7p s PHE 67 Cb -0.12 0.55 0.09 0.00 -0.63 0.00 0.00 43.02 42.92 3i7p s PHE 67 CO 0.28 -0.53 0.20 0.50 -0.05 0.00 0.00 175.22 175.62 3i7p s ARG 68 N -3.01 0.18 0.70 1.99 3.52 -1.26 -0.60 118.95 120.47 3i7p s ARG 68 Ca 0.07 0.10 -0.10 0.00 -0.13 0.00 0.00 55.73 55.67 3i7p s ARG 68 Cb -0.01 -1.27 0.16 0.00 -1.56 0.00 0.00 34.95 32.28 3i7p s ARG 68 CO -0.06 -0.70 0.96 -0.35 -0.81 0.00 0.00 175.30 174.34 3i7p n PRO 69 N 5.31 -0.80 -2.01 5.12 -0.04 -1.26 -4.78 135.00 136.53 3i7p n PRO 69 Ca -0.05 -1.63 -0.35 0.00 -0.04 0.00 0.00 63.50 61.42 3i7p n PRO 69 Cb 0.49 -0.94 0.03 0.00 -0.04 0.00 0.00 33.50 33.04 3i7p n PRO 69 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 3i7p s LYS 70 N -5.06 3.01 -1.65 0.54 -0.14 -1.26 -3.26 119.74 111.92 3i7p s LYS 70 Ca 0.56 1.69 0.00 0.00 -1.36 0.00 0.00 55.97 56.86 3i7p s LYS 70 Cb -0.02 -1.95 0.00 0.00 -1.68 0.00 0.00 37.83 34.18 3i7p s LYS 70 CO 0.39 -1.14 0.00 0.41 -0.76 0.00 0.00 175.35 174.24 3i7p n GLY 71 N 0.25 1.16 3.65 -3.33 0.00 -1.26 -4.94 105.19 100.72 3i7p n GLY 71 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 3i7p n GLY 71 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i7p s GLU 72 N -3.68 4.13 0.15 1.61 0.41 -1.20 -5.00 118.70 115.12 3i7p s GLU 72 Ca 0.00 0.30 -0.28 0.00 -0.41 0.00 0.00 54.97 54.57 3i7p s GLU 72 Cb 0.00 -3.59 -0.03 0.00 -1.78 0.00 0.00 34.13 28.73 3i7p s GLU 72 CO 0.00 -0.19 1.57 0.66 -0.49 0.00 0.00 175.26 176.81 3i7p h SER 73 N 7.66 -1.49 -2.19 -0.19 4.64 -1.92 -3.46 113.55 116.61 3i7p h SER 73 Ca -0.33 0.22 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 3i7p h SER 73 Cb 1.15 0.64 0.00 0.00 -0.31 0.00 0.00 62.40 63.88 3i7p h SER 73 CO 0.72 -0.39 0.00 2.29 -0.87 0.00 0.00 176.83 178.58 3i7p n LYS 74 N -5.41 0.59 -2.57 4.77 2.85 -1.26 -4.72 118.16 112.41 3i7p n LYS 74 Ca -0.02 0.00 -0.37 0.00 -1.05 0.00 0.00 58.31 56.87 3i7p n LYS 74 Cb 0.35 0.00 -0.04 0.00 -0.65 0.00 0.00 35.03 34.69 3i7p n LYS 74 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 3i7p s ASP 75 N -0.91 6.93 0.20 -5.58 -0.00 -0.94 -4.89 116.67 111.48 3i7p s ASP 75 Ca 0.00 2.04 0.08 0.00 -0.00 0.00 0.00 52.55 54.67 3i7p s ASP 75 Cb 0.00 -2.59 -0.04 0.00 -0.00 0.00 0.00 42.92 40.29 3i7p s ASP 75 CO 0.00 -0.37 0.03 -0.76 -0.00 0.00 0.00 175.17 174.07 3i7p s LEU 76 N -2.35 3.37 -0.18 1.23 1.43 0.23 -4.63 118.68 117.77 3i7p s LEU 76 Ca 0.54 -0.41 -0.01 0.00 -1.03 0.00 0.00 54.13 53.22 3i7p s LEU 76 Cb -0.23 -1.99 -0.00 0.00 0.03 0.00 0.00 46.19 44.00 3i7p s LEU 76 CO 0.29 0.06 -0.11 -0.22 0.23 0.00 0.00 176.35 176.60 3i7p s LEU 77 N -3.16 2.66 -0.24 1.79 2.96 0.21 -0.53 118.68 122.37 3i7p s LEU 77 Ca 0.29 -0.42 -0.10 0.00 -0.22 0.00 0.00 54.13 53.67 3i7p s LEU 77 Cb -0.09 -1.63 -0.05 0.00 0.50 0.00 0.00 46.19 44.92 3i7p s LEU 77 CO 0.20 0.05 0.15 0.12 -1.32 0.00 0.00 176.35 175.55 3i7p s PHE 78 N 1.01 3.26 -0.13 5.38 5.36 0.12 0.96 117.98 133.94 3i7p s PHE 78 Ca -0.01 0.12 0.00 0.00 -0.96 0.00 0.00 56.93 56.08 3i7p s PHE 78 Cb -0.15 -2.27 0.02 0.00 -0.34 0.00 0.00 43.02 40.29 3i7p s PHE 78 CO -0.02 -0.02 -0.12 0.42 -1.46 0.00 0.00 175.22 174.02 3i7p s ILE 79 N 1.19 1.37 -0.22 3.12 1.01 0.08 -1.89 121.20 125.87 3i7p s ILE 79 Ca 0.07 -0.52 -0.08 0.00 0.00 0.00 0.00 60.65 60.12 3i7p s ILE 79 Cb -0.14 -1.31 -0.04 0.00 0.01 0.00 0.00 42.46 40.98 3i7p s ILE 79 CO 0.05 0.43 0.09 -0.22 0.00 0.00 0.00 174.94 175.29 3i7p s LEU 80 N 1.50 3.74 0.75 2.97 2.96 -0.96 -1.89 118.68 127.76 3i7p s LEU 80 Ca 0.04 -0.02 -0.10 0.00 -0.22 0.00 0.00 54.13 53.82 3i7p s LEU 80 Cb -0.13 -1.98 0.06 0.00 0.50 0.00 0.00 46.19 44.64 3i7p s LEU 80 CO -0.09 0.07 1.11 -0.89 -1.32 0.00 0.00 176.35 175.23 3i7p s THR 81 N 1.02 2.39 -1.20 3.68 2.01 -0.06 -0.14 115.64 123.34 3i7p s THR 81 Ca 0.05 -0.00 0.28 0.00 0.31 0.00 0.00 61.69 62.33 3i7p s THR 81 Cb -0.14 -3.10 0.25 0.00 0.01 0.00 0.00 72.50 69.53 3i7p s THR 81 CO 0.03 -0.12 1.78 0.00 -0.69 0.00 0.00 174.62 175.62 3i7p n ALA 82 N -3.13 2.78 -1.45 7.40 0.00 -0.62 -1.89 120.51 123.62 3i7p n ALA 82 Ca 0.08 -0.21 -0.19 0.00 0.00 0.00 0.00 53.44 53.11 3i7p n ALA 82 Cb 0.60 -1.34 0.14 0.00 0.00 0.00 0.00 19.45 18.85 3i7p n ALA 82 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3i7p n LYS 83 N -1.34 2.37 -1.53 0.00 5.02 -1.26 -4.91 118.16 116.51 3i7p n LYS 83 Ca 0.09 -3.30 -0.18 0.00 -2.02 0.00 0.00 58.31 52.90 3i7p n LYS 83 Cb 0.32 -2.08 -0.08 0.00 -0.02 0.00 0.00 35.03 33.16 3i7p n LYS 83 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3i7p n TYR 84 N -1.03 0.00 -1.91 2.13 4.02 -0.79 -4.80 117.16 114.78 3i7p n TYR 84 Ca 0.49 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 58.06 3i7p n TYR 84 Cb 1.12 -3.19 -0.04 0.00 -0.02 0.00 0.00 39.34 37.21 3i7p n TYR 84 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 3i7p s ASN 85 N -2.76 4.93 0.46 7.72 -0.87 -1.25 -0.34 114.94 122.83 3i7p s ASN 85 Ca 0.00 0.14 -0.05 0.00 -1.57 0.00 0.00 52.86 51.38 3i7p s ASN 85 Cb 0.00 -2.54 -0.04 0.00 -0.02 0.00 0.00 41.25 38.66 3i7p s ASN 85 CO 0.00 -2.74 0.75 0.00 -2.57 0.00 0.00 177.10 172.54 3i7p s ALA 86 N 10.57 3.44 -0.30 0.60 0.00 -0.69 -0.88 121.76 134.50 3i7p s ALA 86 Ca 0.76 -0.54 -0.34 0.00 0.00 0.00 0.00 51.96 51.84 3i7p s ALA 86 Cb -0.12 -2.54 0.18 0.00 0.00 0.00 0.00 23.12 20.65 3i7p s ALA 86 CO 0.14 -0.29 1.40 0.00 0.00 0.00 0.00 175.76 177.01 3i7p s ILE 88 N -1.53 2.07 0.18 0.00 1.01 0.05 -0.74 121.20 122.24 3i7p s ILE 88 Ca 0.11 -1.06 0.11 0.00 0.00 0.00 0.00 60.65 59.81 3i7p s ILE 88 Cb -0.01 -1.75 -0.04 0.00 0.01 0.00 0.00 42.46 40.67 3i7p s ILE 88 CO -0.05 0.57 -0.25 -0.76 0.00 0.00 0.00 174.94 174.45 3i7p s LEU 89 N -0.15 2.41 -0.01 2.97 1.43 0.27 -1.00 118.68 124.60 3i7p s LEU 89 Ca -0.04 -0.84 0.05 0.00 -1.03 0.00 0.00 54.13 52.26 3i7p s LEU 89 Cb -0.14 -1.17 -0.01 0.00 0.03 0.00 0.00 46.19 44.90 3i7p s LEU 89 CO 0.04 0.13 -0.15 -0.70 0.23 0.00 0.00 176.35 175.89 3i7p s GLU 90 N -2.55 1.23 -0.06 1.70 2.12 -0.49 -0.62 118.70 120.04 3i7p s GLU 90 Ca 0.19 -0.55 -0.23 0.00 0.36 0.00 0.00 54.97 54.74 3i7p s GLU 90 Cb -0.08 -1.20 -0.04 0.00 0.26 0.00 0.00 34.13 33.07 3i7p s GLU 90 CO 0.09 0.33 0.67 -0.47 -0.54 0.00 0.00 175.26 175.33 3i7p s TYR 91 N -0.37 3.59 -0.25 5.30 5.04 -1.26 -1.31 117.35 128.08 3i7p s TYR 91 Ca 0.06 1.21 -0.03 0.00 -2.44 0.00 0.00 57.07 55.87 3i7p s TYR 91 Cb -0.06 -2.76 0.11 0.00 0.35 0.00 0.00 41.96 39.60 3i7p s TYR 91 CO -0.01 0.13 0.21 0.21 -1.34 0.00 0.00 175.55 174.76 3i7p s LYS 92 N 0.63 0.22 -0.34 4.97 2.47 -0.07 -4.98 119.74 122.65 3i7p s LYS 92 Ca 0.36 -0.13 -0.07 0.00 -1.56 0.00 0.00 55.97 54.56 3i7p s LYS 92 Cb -0.18 -1.07 0.03 0.00 -1.46 0.00 0.00 37.83 35.16 3i7p s LYS 92 CO 0.17 -0.88 0.12 -1.14 0.16 0.00 0.00 175.35 173.79 3i7p s GLN 93 N 2.26 2.73 -1.37 4.03 0.74 -1.26 -0.30 119.66 126.50 3i7p s GLN 93 Ca 0.08 -1.11 -0.16 0.00 0.05 0.00 0.00 55.36 54.22 3i7p s GLN 93 Cb -0.15 -3.50 0.03 0.00 1.10 0.00 0.00 33.01 30.49 3i7p s GLN 93 CO -0.25 -0.64 2.08 0.43 -0.55 0.00 0.00 175.29 176.36 3i7p n SER 94 N 4.86 4.03 0.00 6.67 7.64 0.19 -4.75 113.62 132.26 3i7p n SER 94 Ca -0.13 -2.85 0.00 0.00 1.01 0.00 0.00 58.87 56.91 3i7p n SER 94 Cb 0.45 -1.65 0.00 0.00 -1.01 0.00 0.00 64.21 62.01 3i7p n SER 94 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i7p n GLY 95 N 4.48 0.50 0.00 0.23 0.00 -1.26 -1.62 105.19 107.52 3i7p n GLY 95 Ca 0.51 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.53 3i7p n GLY 95 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3i7p n GLU 96 N 0.00 3.12 -3.10 1.61 0.00 -1.26 -5.05 120.64 115.96 3i7p n GLU 96 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 57.16 56.77 3i7p n GLU 96 Cb 0.00 -0.55 -0.06 0.00 0.00 0.00 0.00 31.44 30.83 3i7p n GLU 96 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.13 176.01 3i7p s SER 97 N -0.66 7.21 -0.06 -1.84 0.01 -0.64 -5.07 113.70 112.65 3i7p s SER 97 Ca 0.00 1.44 0.04 0.00 1.31 0.00 0.00 55.95 58.73 3i7p s SER 97 Cb 0.00 -2.43 -0.02 0.00 0.21 0.00 0.00 66.02 63.77 3i7p s SER 97 CO 0.00 0.18 -0.16 0.27 0.41 0.00 0.00 173.24 173.94 3i7p s ILE 98 N -0.83 2.86 -0.01 1.44 -0.00 -1.26 0.57 121.20 123.97 3i7p s ILE 98 Ca 0.34 -0.79 -0.01 0.00 -0.00 0.00 0.00 60.65 60.19 3i7p s ILE 98 Cb -0.21 -2.12 0.00 0.00 -0.00 0.00 0.00 42.46 40.14 3i7p s ILE 98 CO 0.22 0.58 0.02 -1.81 -0.00 0.00 0.00 174.94 173.95 3i7p s ASP 99 N -0.50 -0.02 -0.35 4.36 1.01 0.59 -4.98 116.67 116.80 3i7p s ASP 99 Ca 0.06 0.05 -0.13 0.00 0.71 0.00 0.00 52.55 53.24 3i7p s ASP 99 Cb -0.12 0.04 -0.01 0.00 1.01 0.00 0.00 42.92 43.84 3i7p s ASP 99 CO 0.01 -0.02 0.24 -0.63 0.21 0.00 0.00 175.17 174.99 3i7p s ILE 100 N 0.10 5.22 -0.10 0.77 1.09 -1.26 -0.89 121.20 126.13 3i7p s ILE 100 Ca -0.01 -0.32 -0.05 0.00 -1.10 0.00 0.00 60.65 59.18 3i7p s ILE 100 Cb -0.01 -3.72 -0.04 0.00 -1.06 0.00 0.00 42.46 37.63 3i7p s ILE 100 CO -0.00 -0.06 0.09 -0.51 -0.10 0.00 0.00 174.94 174.36 3i7p s ILE 101 N 1.70 5.05 -0.65 2.92 2.07 -0.43 -4.91 121.20 126.95 3i7p s ILE 101 Ca 0.06 0.01 -0.25 0.00 -1.41 0.00 0.00 60.65 59.06 3i7p s ILE 101 Cb -0.18 -3.19 0.04 0.00 0.13 0.00 0.00 42.46 39.27 3i7p s ILE 101 CO 0.10 0.60 1.09 -0.89 -1.91 0.00 0.00 174.94 173.93 3i7p s THR 102 N -0.99 4.10 0.25 4.00 2.01 -1.26 -1.39 115.64 122.36 3i7p s THR 102 Ca 0.15 0.22 0.22 0.00 0.31 0.00 0.00 61.69 62.59 3i7p s THR 102 Cb -0.12 -4.73 0.21 0.00 0.01 0.00 0.00 72.50 67.87 3i7p s THR 102 CO 0.04 -1.49 1.87 0.03 -0.69 0.00 0.00 174.62 174.38 3i7p h ARG 103 N 9.65 0.00 -2.72 4.92 2.47 -1.41 -3.47 114.38 123.82 3i7p h ARG 103 Ca -0.27 0.00 0.05 0.00 -1.26 0.00 0.00 59.98 58.50 3i7p h ARG 103 Cb 1.06 0.00 -0.12 0.00 -1.65 0.00 0.00 29.97 29.27 3i7p h ARG 103 CO 1.19 0.25 0.32 0.00 0.56 0.00 0.00 179.97 182.30 3i7p s ALA 104 N -3.86 -1.62 -0.28 0.04 0.00 -1.22 -4.87 121.76 109.96 3i7p s ALA 104 Ca -0.01 0.49 -0.26 0.00 0.00 0.00 0.00 51.96 52.18 3i7p s ALA 104 Cb 0.12 0.72 0.16 0.00 0.00 0.00 0.00 23.12 24.12 3i7p s ALA 104 CO 0.65 -0.81 1.25 -3.38 0.00 0.00 0.00 175.76 173.46 3i7p s HIS 105 N -3.54 -0.23 0.00 0.00 -3.43 -0.22 -0.77 115.29 107.10 3i7p s HIS 105 Ca 0.05 0.53 -0.28 0.00 -0.80 0.00 0.00 55.06 54.55 3i7p s HIS 105 Cb -0.02 0.44 0.09 0.00 -1.43 0.00 0.00 32.58 31.66 3i7p s HIS 105 CO -0.07 -0.13 0.77 0.20 -2.00 0.00 0.00 174.74 173.51 3i7p s GLY 106 N -0.15 -0.50 -0.30 -1.38 0.00 -1.06 -4.29 107.32 99.63 3i7p s GLY 106 Ca 0.05 1.12 -0.25 0.00 0.00 0.00 0.00 44.72 45.64 3i7p s GLY 106 CO -0.10 0.56 0.88 0.21 0.00 0.00 0.00 173.10 174.66 3i7p s ASN 107 N -2.00 6.77 0.00 1.64 3.84 -1.26 -1.70 114.94 122.23 3i7p s ASN 107 Ca -0.01 0.82 0.18 0.00 0.21 0.00 0.00 52.86 54.06 3i7p s ASN 107 Cb -0.01 -2.45 0.61 0.00 -0.55 0.00 0.00 41.25 38.85 3i7p s ASN 107 CO -0.04 -0.69 1.46 1.33 -2.79 0.00 0.00 177.10 176.38 3i7p n VAL 108 N 5.60 0.32 -1.26 -5.21 0.24 0.54 -4.96 118.33 113.60 3i7p n VAL 108 Ca 0.06 -0.42 -0.29 0.00 -2.04 0.00 0.00 64.34 61.65 3i7p n VAL 108 Cb 0.48 0.38 0.14 0.00 -1.47 0.00 0.00 33.84 33.36 3i7p n VAL 108 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i7p s GLN 109 N -1.68 1.19 0.01 7.34 -2.07 -1.26 -5.05 119.66 118.14 3i7p s GLN 109 Ca 0.31 0.71 0.03 0.00 -1.82 0.00 0.00 55.36 54.59 3i7p s GLN 109 Cb 0.17 -1.81 -0.01 0.00 -1.09 0.00 0.00 33.01 30.26 3i7p s GLN 109 CO 0.24 -2.26 -0.11 -0.51 -1.32 0.00 0.00 175.29 171.34 3i7p s ASP 110 N -3.53 1.23 0.27 12.60 1.01 -1.26 -5.05 116.67 121.95 3i7p s ASP 110 Ca 0.63 -0.30 0.04 0.00 0.71 0.00 0.00 52.55 53.63 3i7p s ASP 110 Cb -0.17 -0.10 0.38 0.00 1.01 0.00 0.00 42.92 44.04 3i7p s ASP 110 CO 0.56 0.05 1.67 -0.09 0.21 0.00 0.00 175.17 177.58 3i7p h ARG 111 N 5.44 0.35 -6.92 8.23 9.65 -2.04 -3.40 114.38 125.69 3i7p h ARG 111 Ca -0.34 -0.17 -0.47 0.00 -1.10 0.00 0.00 59.98 57.91 3i7p h ARG 111 Cb 1.18 -0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.74 3i7p h ARG 111 CO 0.47 0.69 0.35 0.42 2.80 0.00 0.00 179.97 184.70 3i7p s ILE 112 N -4.20 4.19 0.00 1.20 1.09 -1.26 -4.97 121.20 117.24 3i7p s ILE 112 Ca -0.05 1.73 0.00 0.00 -1.10 0.00 0.00 60.65 61.23 3i7p s ILE 112 Cb 0.13 -3.92 0.00 0.00 -1.06 0.00 0.00 42.46 37.61 3i7p s ILE 112 CO 0.79 0.07 0.00 0.61 -0.10 0.00 0.00 174.94 176.30 3i7p n GLY 113 N 0.37 3.65 3.56 6.18 0.00 -1.26 -5.04 105.19 112.65 3i7p n GLY 113 Ca 0.03 -1.14 -0.37 0.00 0.00 0.00 0.00 46.02 44.54 3i7p n GLY 113 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3i7p s ARG 114 N -5.30 3.88 0.62 1.61 3.52 -1.26 -5.04 118.95 116.98 3i7p s ARG 114 Ca 0.00 -0.37 -0.16 0.00 -0.13 0.00 0.00 55.73 55.08 3i7p s ARG 114 Cb 0.00 -3.47 -0.02 0.00 -1.56 0.00 0.00 34.95 29.90 3i7p s ARG 114 CO 0.00 -0.08 1.09 -2.14 -0.81 0.00 0.00 175.30 173.37 3i7p s PRO 115 N 1.40 3.05 0.00 5.12 0.02 -1.26 -3.05 135.00 140.27 3i7p s PRO 115 Ca 0.06 1.36 0.00 0.00 0.02 0.00 0.00 61.00 62.44 3i7p s PRO 115 Cb -0.15 -1.99 0.00 0.00 0.02 0.00 0.00 34.50 32.39 3i7p s PRO 115 CO 0.06 -1.05 0.00 -1.13 -0.33 0.00 0.00 177.00 174.55 3i7p n SER 116 N -2.13 0.06 -4.43 2.53 3.41 -1.18 -4.78 113.62 107.11 3i7p n SER 116 Ca 0.10 -0.05 -0.41 0.00 -0.26 0.00 0.00 58.87 58.24 3i7p n SER 116 Cb 0.52 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.36 3i7p n SER 116 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3i7p s GLU 117 N 2.69 2.96 0.00 4.33 2.56 -1.26 -3.63 118.70 126.35 3i7p s GLU 117 Ca 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 54.97 53.96 3i7p s GLU 117 Cb 0.00 -3.84 0.00 0.00 2.00 0.00 0.00 34.13 32.29 3i7p s GLU 117 CO 0.00 -0.69 0.00 2.41 -0.56 0.00 0.00 175.26 176.42 3i7p n THR 118 N 5.07 0.00 -4.86 -1.70 -1.04 -1.26 -4.57 114.28 105.92 3i7p n THR 118 Ca -0.12 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.89 3i7p n THR 118 Cb 0.47 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.98 3i7p n THR 118 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3i7p n GLY 119 N -1.61 0.96 3.76 3.41 0.00 -1.24 -4.76 105.19 105.71 3i7p n GLY 119 Ca 0.00 -0.79 -0.38 0.00 0.00 0.00 0.00 46.02 44.85 3i7p n GLY 119 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i7p s ILE 120 N 0.00 2.66 -0.12 -0.61 1.01 -1.26 -4.72 121.20 118.16 3i7p s ILE 120 Ca 0.00 0.52 -0.05 0.00 0.00 0.00 0.00 60.65 61.12 3i7p s ILE 120 Cb 0.00 -3.27 0.06 0.00 0.01 0.00 0.00 42.46 39.26 3i7p s ILE 120 CO 0.00 0.01 0.26 -0.63 0.00 0.00 0.00 174.94 174.58 3i7p s ILE 121 N -1.41 -0.37 -0.10 2.92 1.01 -1.09 -5.00 121.20 117.17 3i7p s ILE 121 Ca 0.65 0.27 0.02 0.00 0.00 0.00 0.00 60.65 61.59 3i7p s ILE 121 Cb -0.34 -0.43 0.01 0.00 0.01 0.00 0.00 42.46 41.71 3i7p s ILE 121 CO 0.42 0.11 -0.15 -0.83 0.00 0.00 0.00 174.94 174.49 3i7p s GLY 122 N 2.30 1.01 0.19 6.18 0.00 -1.26 -0.81 107.32 114.93 3i7p s GLY 122 Ca 0.00 -0.68 0.04 0.00 0.00 0.00 0.00 44.72 44.09 3i7p s GLY 122 CO -0.08 0.19 -0.06 -0.26 0.00 0.00 0.00 173.10 172.88 3i7p s ILE 123 N 0.90 1.14 -0.04 0.90 -4.36 0.56 -4.93 121.20 115.37 3i7p s ILE 123 Ca -0.09 -2.06 0.00 0.00 -0.26 0.00 0.00 60.65 58.25 3i7p s ILE 123 Cb -0.15 -2.10 0.03 0.00 1.25 0.00 0.00 42.46 41.49 3i7p s ILE 123 CO 0.00 -0.54 -0.01 -0.63 0.24 0.00 0.00 174.94 174.00 3i7p s ILE 124 N -3.35 0.32 0.55 8.37 1.01 -1.26 -0.17 121.20 126.67 3i7p s ILE 124 Ca 0.23 0.05 -0.21 0.00 0.00 0.00 0.00 60.65 60.72 3i7p s ILE 124 Cb 0.04 -0.42 -0.05 0.00 0.01 0.00 0.00 42.46 42.04 3i7p s ILE 124 CO 0.05 0.20 1.28 -0.62 0.00 0.00 0.00 174.94 175.85 3i7p s ASP 125 N 1.28 5.34 0.21 3.58 2.15 -1.02 -4.85 116.67 123.36 3i7p s ASP 125 Ca -0.06 2.57 -0.14 0.00 0.43 0.00 0.00 52.55 55.36 3i7p s ASP 125 Cb -0.13 -2.62 0.23 0.00 -0.30 0.00 0.00 42.92 40.10 3i7p s ASP 125 CO -0.02 -1.50 1.62 -0.65 -0.17 0.00 0.00 175.17 174.45 3i7p h PRO 126 N 1.33 -0.01 0.00 4.34 0.11 -1.93 -1.84 132.00 134.00 3i7p h PRO 126 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3i7p h PRO 126 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 3i7p h PRO 126 CO 0.57 -0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.74 3i7p n GLU 127 N -5.43 0.03 -2.04 1.05 1.02 -1.26 -4.86 120.64 109.15 3i7p n GLU 127 Ca 0.08 0.23 -0.10 0.00 -0.02 0.00 0.00 57.16 57.35 3i7p n GLU 127 Cb 0.33 -1.56 -0.01 0.00 -0.02 0.00 0.00 31.44 30.18 3i7p n GLU 127 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3i7p h ARG 129 N 0.00 0.00 -2.07 0.00 2.47 -1.89 -3.44 114.38 109.45 3i7p h ARG 129 Ca -0.23 0.00 0.31 0.00 -1.26 0.00 0.00 59.98 58.81 3i7p h ARG 129 Cb 1.08 0.00 -0.07 0.00 -1.65 0.00 0.00 29.97 29.33 3i7p h ARG 129 CO 0.28 0.00 0.84 0.00 0.56 0.00 0.00 179.97 181.64 3i7p s MET 130 N -3.57 0.54 -0.04 0.04 0.23 -1.26 -2.28 119.30 112.95 3i7p s MET 130 Ca 0.02 -0.34 0.03 0.00 -1.03 0.00 0.00 55.69 54.38 3i7p s MET 130 Cb 0.09 0.15 0.00 0.00 -1.53 0.00 0.00 34.83 33.54 3i7p s MET 130 CO 0.53 -0.25 -0.14 0.42 -2.03 0.00 0.00 175.02 173.55 3i7p s ILE 131 N -2.13 1.23 0.01 3.16 1.01 -0.47 -2.44 121.20 121.57 3i7p s ILE 131 Ca 0.25 -0.59 0.07 0.00 0.00 0.00 0.00 60.65 60.39 3i7p s ILE 131 Cb 0.00 -1.08 -0.03 0.00 0.01 0.00 0.00 42.46 41.37 3i7p s ILE 131 CO -0.00 0.36 -0.22 -0.83 0.00 0.00 0.00 174.94 174.25 3i7p s GLY 132 N 0.21 1.43 0.02 6.18 0.00 0.76 -0.87 107.32 115.05 3i7p s GLY 132 Ca -0.06 -1.15 0.03 0.00 0.00 0.00 0.00 44.72 43.54 3i7p s GLY 132 CO 0.02 -1.00 -0.10 1.08 0.00 0.00 0.00 173.10 173.11 3i7p s LEU 133 N -1.01 2.13 -0.48 0.66 1.02 -0.52 -0.33 118.68 120.16 3i7p s LEU 133 Ca 0.12 -0.34 0.03 0.00 0.02 0.00 0.00 54.13 53.95 3i7p s LEU 133 Cb -0.10 -0.39 0.13 0.00 0.02 0.00 0.00 46.19 45.85 3i7p s LEU 133 CO 0.02 -0.01 0.25 -0.60 0.02 0.00 0.00 176.35 176.03 3i7p s ARG 134 N -0.85 1.59 -0.18 1.70 3.00 0.01 -1.96 118.95 122.26 3i7p s ARG 134 Ca -0.01 -2.28 0.06 0.00 -1.00 0.00 0.00 55.73 52.50 3i7p s ARG 134 Cb -0.06 -2.75 -0.22 0.00 0.00 0.00 0.00 34.95 31.92 3i7p s ARG 134 CO 0.00 -1.14 0.13 1.28 0.00 0.00 0.00 175.30 175.57 3i7p n LEU 135 N 3.33 1.76 -4.23 -0.88 7.99 -1.26 -2.65 117.00 121.06 3i7p n LEU 135 Ca 0.08 0.07 -0.21 0.00 -0.01 0.00 0.00 56.01 55.93 3i7p n LEU 135 Cb 0.34 -0.40 -0.12 0.00 -0.11 0.00 0.00 43.42 43.12 3i7p n LEU 135 CO 0.28 0.71 -0.49 -0.31 -1.51 0.00 0.00 177.39 176.08 3i7p s TYR 136 N -2.53 1.51 0.34 -1.77 1.51 -1.26 -3.09 117.35 112.04 3i7p s TYR 136 Ca -0.20 -0.44 -0.27 0.00 -1.01 0.00 0.00 57.07 55.15 3i7p s TYR 136 Cb 0.07 -0.84 -0.13 0.00 -0.11 0.00 0.00 41.96 40.96 3i7p s TYR 136 CO 0.74 0.13 1.07 -0.25 -1.11 0.00 0.00 175.55 176.13 3i7p n ASP 137 N 1.21 1.63 0.00 2.29 8.00 -1.17 -2.79 116.55 125.72 3i7p n ASP 137 Ca -0.20 1.15 0.00 0.00 0.71 0.00 0.00 54.79 56.44 3i7p n ASP 137 Cb 0.54 -1.35 0.00 0.00 -0.02 0.00 0.00 41.12 40.29 3i7p n ASP 137 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i7p n GLY 138 N 1.10 1.74 3.84 0.44 0.00 -1.26 -4.81 105.19 106.24 3i7p n GLY 138 Ca 0.08 -0.23 -0.22 0.00 0.00 0.00 0.00 46.02 45.66 3i7p n GLY 138 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i7p s LEU 139 N 0.00 3.82 -0.23 0.99 1.43 -1.12 0.30 118.68 123.87 3i7p s LEU 139 Ca 0.00 -0.26 -0.04 0.00 -1.03 0.00 0.00 54.13 52.79 3i7p s LEU 139 Cb 0.00 -2.37 0.08 0.00 0.03 0.00 0.00 46.19 43.93 3i7p s LEU 139 CO 0.00 -0.09 0.11 0.12 0.23 0.00 0.00 176.35 176.72 3i7p s PHE 140 N -2.15 0.32 0.48 0.29 5.36 -0.45 -4.52 117.98 117.32 3i7p s PHE 140 Ca 0.34 -0.64 -0.22 0.00 -0.96 0.00 0.00 56.93 55.45 3i7p s PHE 140 Cb -0.08 -0.83 -0.07 0.00 -0.34 0.00 0.00 43.02 41.70 3i7p s PHE 140 CO 0.26 -0.68 1.15 0.21 -1.46 0.00 0.00 175.22 174.70 3i7p s LYS 141 N 2.10 3.67 -0.06 10.12 2.47 -0.83 -1.63 119.74 135.58 3i7p s LYS 141 Ca 0.05 1.72 -0.02 0.00 -1.56 0.00 0.00 55.97 56.16 3i7p s LYS 141 Cb -0.16 -2.30 0.03 0.00 -1.46 0.00 0.00 37.83 33.94 3i7p s LYS 141 CO -0.23 -0.61 0.06 0.08 0.16 0.00 0.00 175.35 174.81 3i7p s VAL 142 N -1.61 -0.06 -0.43 4.02 1.01 -0.32 -1.44 120.40 121.56 3i7p s VAL 142 Ca 0.66 0.34 -0.15 0.00 0.00 0.00 0.00 61.98 62.83 3i7p s VAL 142 Cb -0.27 -0.23 0.04 0.00 0.00 0.00 0.00 36.38 35.92 3i7p s VAL 142 CO 0.32 0.14 0.33 -0.63 0.00 0.00 0.00 175.10 175.26 3i7p s ILE 143 N 2.15 5.22 0.10 2.22 1.01 -0.05 -2.77 121.20 129.08 3i7p s ILE 143 Ca 0.05 -0.83 -0.31 0.00 0.00 0.00 0.00 60.65 59.55 3i7p s ILE 143 Cb -0.12 -3.99 -0.07 0.00 0.01 0.00 0.00 42.46 38.28 3i7p s ILE 143 CO -0.04 -0.42 1.32 -2.84 0.00 0.00 0.00 174.94 172.97 3i7p s PRO 144 N 1.66 4.36 0.03 2.79 0.02 -1.26 -1.37 135.00 141.23 3i7p s PRO 144 Ca 0.05 1.97 -0.22 0.00 0.02 0.00 0.00 61.00 62.82 3i7p s PRO 144 Cb -0.21 -3.28 -0.06 0.00 0.02 0.00 0.00 34.50 30.97 3i7p s PRO 144 CO 0.08 -0.36 0.65 -0.51 -0.33 0.00 0.00 177.00 176.53 3i7p s LEU 145 N 1.01 4.45 0.00 -5.54 1.43 -0.97 -4.92 118.68 114.15 3i7p s LEU 145 Ca 0.62 1.28 -0.03 0.00 -1.03 0.00 0.00 54.13 54.97 3i7p s LEU 145 Cb -0.34 -3.02 0.01 0.00 0.03 0.00 0.00 46.19 42.87 3i7p s LEU 145 CO 0.30 0.11 0.48 0.47 0.23 0.00 0.00 176.35 177.95 3i7p n ASP 146 N 2.54 -1.36 -0.03 2.29 10.43 -1.26 -4.82 116.55 124.34 3i7p n ASP 146 Ca -0.06 -2.69 -0.04 0.00 2.57 0.00 0.00 54.79 54.57 3i7p n ASP 146 Cb 0.51 2.48 0.20 0.00 1.84 0.00 0.00 41.12 46.14 3i7p n ASP 146 CO 0.00 0.00 0.00 -0.09 -1.07 0.00 0.00 177.20 176.04 3i7p h ARG 147 N 0.00 0.61 0.00 -1.24 1.12 -2.03 -3.42 114.38 109.42 3i7p h ARG 147 Ca -0.26 -0.19 0.00 0.00 -1.11 0.00 0.00 59.98 58.42 3i7p h ARG 147 Cb 1.09 -0.06 0.00 0.00 -0.01 0.00 0.00 29.97 31.00 3i7p h ARG 147 CO 0.34 0.72 0.00 -0.25 -3.11 0.00 0.00 179.97 177.68 3i7p n ASP 148 N -4.18 0.00 -1.96 -3.80 8.00 -1.26 -4.78 116.55 108.58 3i7p n ASP 148 Ca 0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.51 3i7p n ASP 148 Cb 0.35 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.45 3i7p n ASP 148 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3i7p n ASN 149 N 0.00 -0.64 0.12 -2.24 2.85 -1.26 -4.72 115.26 109.36 3i7p n ASN 149 Ca 0.00 0.32 0.07 0.00 -0.11 0.00 0.00 54.58 54.86 3i7p n ASN 149 Cb 0.00 -0.82 0.35 0.00 1.24 0.00 0.00 39.78 40.55 3i7p n ASN 149 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 3i7p n LYS 150 N -1.96 0.08 -0.63 1.20 5.02 -1.26 0.11 118.16 120.73 3i7p n LYS 150 Ca 0.00 0.55 0.01 0.00 -2.02 0.00 0.00 58.31 56.85 3i7p n LYS 150 Cb 0.32 -1.93 0.22 0.00 -0.02 0.00 0.00 35.03 33.62 3i7p n LYS 150 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3i7p n GLU 151 N -1.96 2.29 -3.61 1.97 1.02 -1.26 -1.06 120.64 118.04 3i7p n GLU 151 Ca -0.01 -3.01 -0.22 0.00 -0.02 0.00 0.00 57.16 53.91 3i7p n GLU 151 Cb 0.17 -1.83 0.01 0.00 -0.02 0.00 0.00 31.44 29.77 3i7p n GLU 151 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3i7p n LEU 152 N -0.88 -0.61 -4.81 -4.62 4.77 0.30 -4.40 117.00 106.76 3i7p n LEU 152 Ca 0.28 -0.70 -0.35 0.00 -0.03 0.00 0.00 56.01 55.21 3i7p n LEU 152 Cb 0.98 -0.97 -0.07 0.00 -2.33 0.00 0.00 43.42 41.03 3i7p n LEU 152 CO 0.18 0.38 0.58 -0.54 -1.33 0.00 0.00 177.39 176.66 3i7p s LYS 153 N -5.09 4.34 -0.05 3.23 -0.14 -1.26 -4.82 119.74 115.95 3i7p s LYS 153 Ca 0.14 1.10 -0.19 0.00 -1.36 0.00 0.00 55.97 55.66 3i7p s LYS 153 Cb -0.08 -2.56 0.04 0.00 -1.68 0.00 0.00 37.83 33.55 3i7p s LYS 153 CO 0.57 0.18 0.43 0.00 -0.76 0.00 0.00 175.35 175.77 3i7p s ALA 154 N -1.84 -1.09 0.34 5.17 0.00 -1.26 -4.29 121.76 118.79 3i7p s ALA 154 Ca 0.53 0.72 0.07 0.00 0.00 0.00 0.00 51.96 53.29 3i7p s ALA 154 Cb -0.14 -0.06 -0.02 0.00 0.00 0.00 0.00 23.12 22.90 3i7p s ALA 154 CO 0.19 -0.28 0.37 -0.59 0.00 0.00 0.00 175.76 175.45 3i7p s PHE 155 N -1.07 2.97 0.39 0.00 -0.12 -1.11 -4.91 117.98 114.13 3i7p s PHE 155 Ca -0.11 -0.28 0.05 0.00 -0.05 0.00 0.00 56.93 56.54 3i7p s PHE 155 Cb -0.04 -1.91 -0.00 0.00 -0.63 0.00 0.00 43.02 40.44 3i7p s PHE 155 CO 0.05 0.07 0.56 -0.80 -0.05 0.00 0.00 175.22 175.05 3i7p s ASN 156 N -4.08 5.82 -0.04 1.98 0.01 -1.26 -1.17 114.94 116.19 3i7p s ASN 156 Ca 0.43 -0.12 0.02 0.00 -0.71 0.00 0.00 52.86 52.48 3i7p s ASN 156 Cb -0.07 -1.15 0.01 0.00 0.41 0.00 0.00 41.25 40.45 3i7p s ASN 156 CO 0.29 -0.61 -0.09 -0.63 -1.51 0.00 0.00 177.10 174.55 3i7p s ILE 157 N -2.34 0.81 0.40 0.60 1.01 -0.64 -4.93 121.20 116.11 3i7p s ILE 157 Ca 0.49 -0.33 -0.26 0.00 0.00 0.00 0.00 60.65 60.55 3i7p s ILE 157 Cb -0.10 -0.75 -0.09 0.00 0.01 0.00 0.00 42.46 41.53 3i7p s ILE 157 CO 0.33 0.27 1.31 -0.60 0.00 0.00 0.00 174.94 176.25 3i7p s ARG 158 N 0.52 3.99 -0.23 2.79 3.52 -1.26 -1.34 118.95 126.94 3i7p s ARG 158 Ca -0.09 2.17 0.02 0.00 -0.13 0.00 0.00 55.73 57.71 3i7p s ARG 158 Cb -0.12 -2.78 0.05 0.00 -1.56 0.00 0.00 34.95 30.54 3i7p s ARG 158 CO 0.01 -0.48 -0.14 -1.17 -0.81 0.00 0.00 175.30 172.71 3i7p s LEU 159 N -2.39 2.96 0.31 -0.88 0.20 0.87 -4.87 118.68 114.88 3i7p s LEU 159 Ca 0.56 -1.13 0.06 0.00 0.69 0.00 0.00 54.13 54.31 3i7p s LEU 159 Cb -0.38 -1.51 0.73 0.00 -0.43 0.00 0.00 46.19 44.60 3i7p s LEU 159 CO 0.50 -0.13 1.79 -0.33 -0.29 0.00 0.00 176.35 177.89 3i7p h GLU 160 N 7.84 0.76 -5.87 1.98 4.39 -1.95 -3.40 114.58 118.33 3i7p h GLU 160 Ca -0.28 -0.05 -0.61 0.00 0.34 0.00 0.00 59.36 58.76 3i7p h GLU 160 Cb 1.08 -0.17 -0.11 0.00 -0.10 0.00 0.00 28.75 29.44 3i7p h GLU 160 CO 0.52 0.50 0.42 -1.21 -1.16 0.00 0.00 179.01 178.09 3i7p s GLU 161 N -5.84 3.66 0.00 2.33 8.01 -1.26 -4.92 118.70 120.67 3i7p s GLU 161 Ca -0.11 0.23 0.11 0.00 0.01 0.00 0.00 54.97 55.21 3i7p s GLU 161 Cb 0.24 -3.85 0.55 0.00 -4.31 0.00 0.00 34.13 26.76 3i7p s GLU 161 CO 0.80 -0.97 1.37 1.28 0.01 0.00 0.00 175.26 177.76 3i7p n LEU 162 N 6.62 0.50 -2.78 1.80 7.99 -1.26 -4.13 117.00 125.75 3i7p n LEU 162 Ca 0.04 -0.23 -0.10 0.00 -0.01 0.00 0.00 56.01 55.71 3i7p n LEU 162 Cb 0.48 -0.05 0.08 0.00 -0.11 0.00 0.00 43.42 43.82 3i7p n LEU 162 CO 0.57 0.12 0.29 1.57 -1.51 0.00 0.00 177.39 178.42 3i7p n HIS 163 N -0.34 -2.30 -2.13 -1.77 -0.00 -1.26 -4.67 115.22 102.75 3i7p n HIS 163 Ca 0.09 -2.31 -0.41 0.00 0.46 0.00 0.00 57.72 55.54 3i7p n HIS 163 Cb 0.11 1.32 -0.03 0.00 -0.12 0.00 0.00 29.99 31.27 3i7p n HIS 163 CO 0.00 0.00 0.00 0.08 0.46 0.00 0.00 176.34 176.88 3i7p s VAL 164 N -0.18 2.98 -0.18 3.57 1.01 -1.26 -1.02 120.40 125.30 3i7p s VAL 164 Ca 0.24 0.81 -0.19 0.00 0.00 0.00 0.00 61.98 62.85 3i7p s VAL 164 Cb 0.32 -3.52 -0.21 0.00 0.00 0.00 0.00 36.38 32.97 3i7p s VAL 164 CO -0.06 0.13 0.28 0.40 0.00 0.00 0.00 175.10 175.85 3i7p h ILE 165 N 3.65 0.91 -1.89 2.22 1.08 -1.63 -3.43 117.51 118.42 3i7p h ILE 165 Ca -0.45 -2.23 -0.00 0.00 -0.39 0.00 0.00 64.86 61.79 3i7p h ILE 165 Cb 1.22 2.34 -0.20 0.00 -3.07 0.00 0.00 36.82 37.11 3i7p h ILE 165 CO 0.77 0.44 0.33 -0.62 -0.69 0.00 0.00 178.15 178.39 3i7p s ASP 166 N -6.88 -0.54 0.05 1.72 2.15 -1.22 -4.82 116.67 107.13 3i7p s ASP 166 Ca -0.27 0.55 0.01 0.00 0.43 0.00 0.00 52.55 53.27 3i7p s ASP 166 Cb 0.06 0.45 -0.03 0.00 -0.30 0.00 0.00 42.92 43.10 3i7p s ASP 166 CO 0.64 -0.53 -0.05 -0.69 -0.17 0.00 0.00 175.17 174.37 3i7p s VAL 167 N -1.34 0.37 0.23 1.11 1.01 -1.26 -3.01 120.40 117.52 3i7p s VAL 167 Ca -0.06 -1.33 -0.16 0.00 0.00 0.00 0.00 61.98 60.43 3i7p s VAL 167 Cb -0.00 -0.87 0.01 0.00 0.00 0.00 0.00 36.38 35.51 3i7p s VAL 167 CO 0.05 -0.63 0.54 -0.54 0.00 0.00 0.00 175.10 174.52 3i7p s LYS 168 N -2.41 1.53 0.46 2.72 -0.14 -0.97 -4.94 119.74 116.00 3i7p s LYS 168 Ca -0.05 -1.07 -0.13 0.00 -1.36 0.00 0.00 55.97 53.37 3i7p s LYS 168 Cb -0.04 0.51 -0.07 0.00 -1.68 0.00 0.00 37.83 36.56 3i7p s LYS 168 CO -0.03 -0.66 0.87 -0.06 -0.76 0.00 0.00 175.35 174.71 3i7p s PHE 169 N -3.95 3.48 0.02 3.18 0.40 -1.26 -0.13 117.98 119.73 3i7p s PHE 169 Ca 0.15 1.21 -0.02 0.00 -0.60 0.00 0.00 56.93 57.67 3i7p s PHE 169 Cb -0.02 -2.58 -0.04 0.00 0.51 0.00 0.00 43.02 40.89 3i7p s PHE 169 CO 0.04 -0.25 0.21 -0.51 0.70 0.00 0.00 175.22 175.42 3i7p s LEU 170 N -4.05 4.36 0.52 -0.37 1.43 -0.58 -4.78 118.68 115.21 3i7p s LEU 170 Ca 0.54 0.36 -0.13 0.00 -1.03 0.00 0.00 54.13 53.87 3i7p s LEU 170 Cb -0.10 -2.77 -0.06 0.00 0.03 0.00 0.00 46.19 43.29 3i7p s LEU 170 CO 0.33 0.22 0.94 -0.31 0.23 0.00 0.00 176.35 177.77 3i7p s TYR 171 N -1.40 3.52 -0.59 0.29 1.51 -1.26 -4.49 117.35 114.93 3i7p s TYR 171 Ca 0.30 1.29 -0.03 0.00 -1.01 0.00 0.00 57.07 57.62 3i7p s TYR 171 Cb -0.13 -2.67 -0.04 0.00 -0.11 0.00 0.00 41.96 39.02 3i7p s TYR 171 CO 0.22 -0.41 0.52 0.41 -1.11 0.00 0.00 175.55 175.18 3i7p n GLY 172 N -1.92 -0.37 2.73 0.71 0.00 -1.26 -4.55 105.19 100.53 3i7p n GLY 172 Ca 0.05 0.22 -0.19 0.00 0.00 0.00 0.00 46.02 46.10 3i7p n GLY 172 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i7p h GLN 174 N 8.41 -0.49 -6.22 0.00 1.08 -1.96 -3.38 115.11 112.54 3i7p h GLN 174 Ca -0.13 0.03 -0.57 0.00 -1.45 0.00 0.00 58.65 56.54 3i7p h GLN 174 Cb 1.12 0.11 -0.04 0.00 -0.05 0.00 0.00 27.48 28.62 3i7p h GLN 174 CO 0.15 -0.33 -0.22 0.00 -0.95 0.00 0.00 178.83 177.49 3i7p s ALA 175 N -5.93 3.69 0.05 3.87 0.00 -1.26 -5.05 121.76 117.13 3i7p s ALA 175 Ca -0.16 -0.38 -0.30 0.00 0.00 0.00 0.00 51.96 51.12 3i7p s ALA 175 Cb 0.09 -2.29 -0.16 0.00 0.00 0.00 0.00 23.12 20.76 3i7p s ALA 175 CO 0.64 0.57 0.76 -2.30 0.00 0.00 0.00 175.76 175.43 3i7p n PRO 176 N 0.42 0.00 -3.70 0.00 -0.02 -1.26 -4.81 135.00 125.63 3i7p n PRO 176 Ca -0.04 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.31 3i7p n PRO 176 Cb 0.52 -1.13 -0.13 0.00 -0.02 0.00 0.00 33.50 32.74 3i7p n PRO 176 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3i7p s THR 177 N -0.23 -0.20 0.22 3.45 2.01 -1.26 0.70 115.64 120.32 3i7p s THR 177 Ca 0.69 0.21 0.05 0.00 0.31 0.00 0.00 61.69 62.95 3i7p s THR 177 Cb -0.97 -0.41 -0.03 0.00 0.01 0.00 0.00 72.50 71.10 3i7p s THR 177 CO 0.47 0.09 0.31 0.27 -0.69 0.00 0.00 174.62 175.06 3i7p s ILE 178 N 1.77 5.12 -0.05 1.82 -4.36 0.22 -1.52 121.20 124.19 3i7p s ILE 178 Ca -0.05 -0.99 -0.02 0.00 -0.26 0.00 0.00 60.65 59.34 3i7p s ILE 178 Cb -0.11 -3.74 0.04 0.00 1.25 0.00 0.00 42.46 39.90 3i7p s ILE 178 CO -0.08 -0.27 0.11 0.00 0.24 0.00 0.00 174.94 174.93 3i7p s PHE 180 N 1.37 -0.75 0.45 0.00 -0.12 -0.84 -2.29 117.98 115.81 3i7p s PHE 180 Ca -0.06 1.49 -0.23 0.00 -0.05 0.00 0.00 56.93 58.08 3i7p s PHE 180 Cb -0.12 0.33 -0.08 0.00 -0.63 0.00 0.00 43.02 42.52 3i7p s PHE 180 CO -0.05 -0.43 1.12 0.08 -0.05 0.00 0.00 175.22 175.89 3i7p s VAL 181 N 2.04 3.34 0.07 -2.49 1.01 -1.16 -1.61 120.40 121.59 3i7p s VAL 181 Ca -0.06 0.98 -0.20 0.00 0.00 0.00 0.00 61.98 62.70 3i7p s VAL 181 Cb -0.10 -3.49 0.05 0.00 0.00 0.00 0.00 36.38 32.84 3i7p s VAL 181 CO -0.13 -0.03 0.48 -0.72 0.00 0.00 0.00 175.10 174.69 3i7p s TYR 182 N -1.63 -0.35 -0.16 5.22 -0.85 0.37 -1.92 117.35 118.03 3i7p s TYR 182 Ca 0.63 0.29 0.01 0.00 -0.52 0.00 0.00 57.07 57.48 3i7p s TYR 182 Cb -0.25 0.31 0.00 0.00 0.38 0.00 0.00 41.96 42.40 3i7p s TYR 182 CO 0.31 -0.65 -0.17 -1.14 -1.52 0.00 0.00 175.55 172.38 3i7p s GLN 183 N -2.79 3.14 0.34 -3.49 0.74 -0.19 -1.83 119.66 115.57 3i7p s GLN 183 Ca -0.03 -0.78 0.01 0.00 0.05 0.00 0.00 55.36 54.61 3i7p s GLN 183 Cb -0.00 -2.61 -0.01 0.00 1.10 0.00 0.00 33.01 31.49 3i7p s GLN 183 CO -0.05 -0.05 0.05 -0.40 -0.55 0.00 0.00 175.29 174.29 3i7p n ASP 184 N 4.24 2.13 -0.39 6.67 5.68 -1.19 -4.53 116.55 129.16 3i7p n ASP 184 Ca -0.20 -2.60 -0.10 0.00 -0.50 0.00 0.00 54.79 51.40 3i7p n ASP 184 Cb 0.51 0.50 -0.08 0.00 -1.14 0.00 0.00 41.12 40.90 3i7p n ASP 184 CO 0.00 0.00 0.00 -0.81 -1.33 0.00 0.00 177.20 175.06 3i7p n PRO 185 N -0.80 -0.39 0.00 0.11 -0.05 -1.26 -2.89 135.00 129.71 3i7p n PRO 185 Ca -0.10 1.40 0.04 0.00 -0.05 0.00 0.00 63.50 64.79 3i7p n PRO 185 Cb 0.46 -2.05 0.25 0.00 -0.05 0.00 0.00 33.50 32.10 3i7p n PRO 185 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 175.50 176.49 3i7p n GLN 186 N -5.17 0.42 0.00 0.54 6.02 -1.26 -4.89 117.38 113.04 3i7p n GLN 186 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.01 3i7p n GLN 186 Cb 0.25 -1.32 0.00 0.00 1.02 0.00 0.00 30.24 30.19 3i7p n GLN 186 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3i7p n GLY 187 N -0.14 0.52 3.98 1.08 0.00 -1.14 -5.07 105.19 104.42 3i7p n GLY 187 Ca 0.06 -2.17 -0.20 0.00 0.00 0.00 0.00 46.02 43.72 3i7p n GLY 187 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i7p s ARG 188 N -0.70 3.07 0.05 1.61 0.52 -1.26 -3.16 118.95 119.08 3i7p s ARG 188 Ca 0.00 -0.83 -0.14 0.00 -0.52 0.00 0.00 55.73 54.24 3i7p s ARG 188 Cb 0.00 -2.72 0.02 0.00 0.52 0.00 0.00 34.95 32.77 3i7p s ARG 188 CO 0.00 -0.09 0.32 -1.01 0.02 0.00 0.00 175.30 174.54 3i7p s HIS 189 N -2.33 -0.11 -0.23 -0.53 3.76 -0.76 -3.25 115.29 111.84 3i7p s HIS 189 Ca 0.47 -0.04 -0.02 0.00 -0.15 0.00 0.00 55.06 55.31 3i7p s HIS 189 Cb -0.10 0.11 0.01 0.00 1.11 0.00 0.00 32.58 33.72 3i7p s HIS 189 CO 0.34 -0.53 -0.08 0.54 -0.85 0.00 0.00 174.74 174.16 3i7p s VAL 190 N -2.74 2.92 0.45 -0.90 0.11 -1.20 -0.48 120.40 118.57 3i7p s VAL 190 Ca -0.04 -0.81 0.05 0.00 -2.93 0.00 0.00 61.98 58.25 3i7p s VAL 190 Cb -0.00 -2.39 -0.05 0.00 -1.53 0.00 0.00 36.38 32.41 3i7p s VAL 190 CO -0.04 0.34 0.06 -0.75 -3.33 0.00 0.00 175.10 171.38 3i7p s LYS 191 N 1.38 2.10 0.04 1.54 2.20 -0.63 -2.63 119.74 123.73 3i7p s LYS 191 Ca 0.03 -2.15 -0.03 0.00 -0.36 0.00 0.00 55.97 53.47 3i7p s LYS 191 Cb -0.15 -1.70 -0.02 0.00 -1.51 0.00 0.00 37.83 34.45 3i7p s LYS 191 CO -0.05 -0.19 0.02 0.95 -0.36 0.00 0.00 175.35 175.71 3i7p s THR 192 N -2.75 0.15 -0.01 3.43 -4.23 -1.26 -1.98 115.64 109.00 3i7p s THR 192 Ca 0.27 -1.23 -0.15 0.00 -1.18 0.00 0.00 61.69 59.40 3i7p s THR 192 Cb 0.06 -0.87 0.02 0.00 1.34 0.00 0.00 72.50 73.05 3i7p s THR 192 CO 0.14 -0.68 0.31 -0.31 -0.54 0.00 0.00 174.62 173.54 3i7p s TYR 193 N -2.61 -0.17 0.94 3.99 1.51 -1.09 -2.97 117.35 116.96 3i7p s TYR 193 Ca -0.05 0.24 -0.14 0.00 -1.01 0.00 0.00 57.07 56.10 3i7p s TYR 193 Cb -0.01 0.09 0.16 0.00 -0.11 0.00 0.00 41.96 42.10 3i7p s TYR 193 CO -0.05 -0.40 1.20 -1.21 -1.11 0.00 0.00 175.55 173.98 3i7p s GLU 194 N -1.42 0.84 -0.22 -0.62 2.02 0.40 -0.61 118.70 119.09 3i7p s GLU 194 Ca -0.13 0.00 -0.02 0.00 0.02 0.00 0.00 54.97 54.84 3i7p s GLU 194 Cb -0.05 -1.83 0.07 0.00 0.10 0.00 0.00 34.13 32.42 3i7p s GLU 194 CO 0.04 -2.35 0.04 0.08 0.02 0.00 0.00 175.26 173.09 3i7p s VAL 195 N -3.48 0.65 -0.36 2.63 1.01 0.22 -3.11 120.40 117.95 3i7p s VAL 195 Ca 0.67 -0.74 -0.17 0.00 0.00 0.00 0.00 61.98 61.75 3i7p s VAL 195 Cb -0.10 -1.19 -0.00 0.00 0.00 0.00 0.00 36.38 35.09 3i7p s VAL 195 CO 0.53 -0.27 0.45 -0.55 0.00 0.00 0.00 175.10 175.25 3i7p s SER 196 N 1.79 6.25 0.14 3.32 0.15 -1.22 -4.40 113.70 119.72 3i7p s SER 196 Ca 0.00 -0.23 0.22 0.00 0.70 0.00 0.00 55.95 56.64 3i7p s SER 196 Cb -0.17 -2.24 -0.08 0.00 -1.71 0.00 0.00 66.02 61.82 3i7p s SER 196 CO -0.11 -0.46 0.90 0.00 1.20 0.00 0.00 173.24 174.77 3i7p n LEU 197 N 5.61 0.63 -0.20 3.45 -0.00 -1.26 -2.99 117.00 122.24 3i7p n LEU 197 Ca -0.07 0.23 0.19 0.00 -0.00 0.00 0.00 56.01 56.37 3i7p n LEU 197 Cb 0.49 -0.05 0.54 0.00 -0.00 0.00 0.00 43.42 44.40 3i7p n LEU 197 CO 0.44 -0.13 1.22 -0.09 -0.00 0.00 0.00 177.39 178.83 3i7p h ARG 198 N 0.00 0.34 0.00 1.47 2.43 -1.96 -3.17 114.38 113.50 3i7p h ARG 198 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3i7p h ARG 198 Cb 0.99 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.46 3i7p h ARG 198 CO 0.00 0.22 0.00 0.39 -1.51 0.00 0.00 179.97 179.07 3i7p n GLU 199 N -4.47 1.00 -3.80 0.20 1.02 -1.24 -5.03 120.64 108.32 3i7p n GLU 199 Ca 0.17 -0.92 -0.24 0.00 -0.02 0.00 0.00 57.16 56.16 3i7p n GLU 199 Cb 0.67 -0.91 0.01 0.00 -0.02 0.00 0.00 31.44 31.18 3i7p n GLU 199 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3i7p n LYS 200 N -0.23 -3.94 -3.94 3.49 5.02 -1.16 -4.96 118.16 112.43 3i7p n LYS 200 Ca 0.00 0.52 -0.09 0.00 -2.02 0.00 0.00 58.31 56.72 3i7p n LYS 200 Cb 0.18 -4.83 -0.03 0.00 -0.02 0.00 0.00 35.03 30.33 3i7p n LYS 200 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 3i7p s GLU 201 N -6.21 1.74 0.15 1.97 -1.05 -1.16 -4.91 118.70 109.23 3i7p s GLU 201 Ca 0.03 -1.24 0.03 0.00 -0.15 0.00 0.00 54.97 53.64 3i7p s GLU 201 Cb -0.01 0.53 -0.04 0.00 -0.44 0.00 0.00 34.13 34.18 3i7p s GLU 201 CO 0.85 -0.76 0.27 -0.06 0.95 0.00 0.00 175.26 176.51 3i7p s PHE 202 N -3.69 3.47 -0.09 4.83 2.99 -1.26 -3.45 117.98 120.78 3i7p s PHE 202 Ca 0.19 0.11 -0.00 0.00 0.00 0.00 0.00 56.93 57.23 3i7p s PHE 202 Cb -0.03 -1.66 0.02 0.00 0.00 0.00 0.00 43.02 41.35 3i7p s PHE 202 CO 0.10 0.52 -0.06 -0.80 -0.00 0.00 0.00 175.22 174.97 3i7p s ASN 203 N -3.20 1.83 -0.16 1.36 0.01 -1.18 -4.93 114.94 108.68 3i7p s ASN 203 Ca 0.34 -0.23 -0.14 0.00 -0.71 0.00 0.00 52.86 52.12 3i7p s ASN 203 Cb -0.11 -0.70 -0.06 0.00 0.41 0.00 0.00 41.25 40.79 3i7p s ASN 203 CO 0.28 -0.10 0.56 1.17 -1.51 0.00 0.00 177.10 177.50 3i7p n LYS 204 N 4.70 0.00 -1.09 -0.60 4.81 -1.26 0.15 118.16 124.87 3i7p n LYS 204 Ca -0.14 0.00 -0.32 0.00 -0.87 0.00 0.00 58.31 56.98 3i7p n LYS 204 Cb 0.50 -0.47 0.12 0.00 0.02 0.00 0.00 35.03 35.21 3i7p n LYS 204 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 3i7p s GLY 205 N 1.27 1.90 0.00 3.14 0.00 -1.16 -4.35 107.32 108.12 3i7p s GLY 205 Ca 0.35 0.60 0.00 0.00 0.00 0.00 0.00 44.72 45.66 3i7p s GLY 205 CO 0.24 0.99 0.84 -1.05 0.00 0.00 0.00 173.10 174.12 3i7p n PRO 206 N -3.55 0.00 -3.64 2.90 -0.02 -1.26 -4.65 135.00 124.78 3i7p n PRO 206 Ca 0.12 0.35 -0.09 0.00 -2.02 0.00 0.00 63.50 61.86 3i7p n PRO 206 Cb 0.52 -1.52 -0.07 0.00 -0.02 0.00 0.00 33.50 32.41 3i7p n PRO 206 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 3i7p s TRP 207 N -2.68 -0.69 0.34 6.00 -2.14 -1.26 -4.89 118.94 113.62 3i7p s TRP 207 Ca 0.00 1.55 -0.24 0.00 2.66 0.00 0.00 56.10 60.06 3i7p s TRP 207 Cb 0.00 0.38 -0.14 0.00 -3.10 0.00 0.00 33.47 30.61 3i7p s TRP 207 CO 0.00 -0.34 0.54 1.63 -2.66 0.00 0.00 176.95 176.13 3i7p n LYS 208 N 3.00 0.48 -1.72 3.25 4.01 -1.26 -4.48 118.16 121.43 3i7p n LYS 208 Ca -0.15 0.17 -0.43 0.00 -0.51 0.00 0.00 58.31 57.39 3i7p n LYS 208 Cb 0.56 -1.36 -0.02 0.00 -0.51 0.00 0.00 35.03 33.70 3i7p n LYS 208 CO 0.00 0.00 0.00 0.94 -1.11 0.00 0.00 177.40 177.23 3i7p n GLN 209 N 0.83 2.55 0.00 1.97 7.27 -1.26 -4.90 117.38 123.83 3i7p n GLN 209 Ca 0.13 0.91 0.00 0.00 0.07 0.00 0.00 57.00 58.10 3i7p n GLN 209 Cb 0.35 -2.67 0.00 0.00 2.41 0.00 0.00 30.24 30.32 3i7p n GLN 209 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 3i7p n GLU 210 N 2.49 3.85 -4.12 3.69 -0.58 -1.08 -4.97 120.64 119.91 3i7p n GLU 210 Ca 0.11 0.00 -0.25 0.00 -0.42 0.00 0.00 57.16 56.60 3i7p n GLU 210 Cb 0.35 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 31.16 3i7p n GLU 210 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 3i7p s ASN 211 N 0.70 5.36 0.25 1.62 0.01 -1.26 -3.22 114.94 118.40 3i7p s ASN 211 Ca 0.00 -0.23 0.01 0.00 -0.71 0.00 0.00 52.86 51.93 3i7p s ASN 211 Cb 0.00 -1.34 -0.05 0.00 0.41 0.00 0.00 41.25 40.28 3i7p s ASN 211 CO 0.00 0.04 0.12 0.68 -1.51 0.00 0.00 177.10 176.43 3i7p s VAL 212 N -1.89 0.36 0.51 1.60 -7.23 -1.20 -4.72 120.40 107.83 3i7p s VAL 212 Ca 0.31 -2.00 -0.20 0.00 -1.81 0.00 0.00 61.98 58.29 3i7p s VAL 212 Cb -0.09 -2.58 -0.08 0.00 0.56 0.00 0.00 36.38 34.20 3i7p s VAL 212 CO 0.23 0.00 1.05 -1.83 -0.31 0.00 0.00 175.10 174.24 3i7p s GLU 213 N -4.01 3.69 0.16 4.82 -1.05 -1.26 -4.20 118.70 116.85 3i7p s GLU 213 Ca 0.38 1.36 0.14 0.00 -0.15 0.00 0.00 54.97 56.69 3i7p s GLU 213 Cb 0.07 -2.08 0.50 0.00 -0.44 0.00 0.00 34.13 32.18 3i7p s GLU 213 CO 0.14 -0.52 0.47 0.00 0.95 0.00 0.00 175.26 176.30 3i7p n ALA 214 N -1.15 0.53 -1.05 -0.84 0.00 -1.26 -0.14 120.51 116.60 3i7p n ALA 214 Ca 0.09 0.22 0.05 0.00 0.00 0.00 0.00 53.44 53.80 3i7p n ALA 214 Cb 0.52 -0.34 0.07 0.00 0.00 0.00 0.00 19.45 19.71 3i7p n ALA 214 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3i7p n GLU 215 N -2.76 1.26 -1.70 0.00 -0.58 -1.26 -4.87 120.64 110.73 3i7p n GLU 215 Ca 0.13 -1.90 -0.43 0.00 -0.42 0.00 0.00 57.16 54.54 3i7p n GLU 215 Cb 0.57 -1.13 -0.02 0.00 -0.57 0.00 0.00 31.44 30.29 3i7p n GLU 215 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3i7p n ALA 216 N -0.86 1.85 0.00 0.62 0.00 0.80 -4.08 120.51 118.85 3i7p n ALA 216 Ca 0.08 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.92 3i7p n ALA 216 Cb 0.57 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.64 3i7p n ALA 216 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3i7p n SER 217 N 2.44 0.00 -4.75 0.00 3.41 -0.18 -4.96 113.62 109.58 3i7p n SER 217 Ca 0.11 0.00 -0.25 0.00 -0.26 0.00 0.00 58.87 58.47 3i7p n SER 217 Cb 0.34 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.22 3i7p n SER 217 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 3i7p s MET 218 N -0.54 2.71 -0.08 4.33 -1.94 -1.18 -4.61 119.30 117.98 3i7p s MET 218 Ca 0.00 -1.01 0.01 0.00 -1.71 0.00 0.00 55.69 52.98 3i7p s MET 218 Cb 0.00 -2.51 0.02 0.00 2.01 0.00 0.00 34.83 34.35 3i7p s MET 218 CO 0.00 0.45 -0.10 0.08 -0.01 0.00 0.00 175.02 175.45 3i7p s VAL 219 N -1.85 1.04 -0.00 -6.03 1.01 -1.26 -2.96 120.40 110.35 3i7p s VAL 219 Ca 0.30 -0.37 0.02 0.00 0.00 0.00 0.00 61.98 61.93 3i7p s VAL 219 Cb -0.09 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.25 3i7p s VAL 219 CO 0.22 0.35 -0.02 -0.63 0.00 0.00 0.00 175.10 175.02 3i7p s ILE 220 N 1.10 3.99 -0.68 2.22 1.01 0.96 -4.85 121.20 124.94 3i7p s ILE 220 Ca -0.06 -0.65 -0.04 0.00 0.00 0.00 0.00 60.65 59.90 3i7p s ILE 220 Cb -0.14 -2.76 0.18 0.00 0.01 0.00 0.00 42.46 39.74 3i7p s ILE 220 CO -0.01 0.39 0.52 0.00 0.00 0.00 0.00 174.94 175.84 3i7p s ALA 221 N -1.05 3.72 -0.09 9.38 0.00 -1.26 0.56 121.76 133.01 3i7p s ALA 221 Ca 0.18 -3.36 -0.36 0.00 0.00 0.00 0.00 51.96 48.42 3i7p s ALA 221 Cb -0.11 -2.77 -0.14 0.00 0.00 0.00 0.00 23.12 20.09 3i7p s ALA 221 CO 0.09 -2.14 1.74 0.28 0.00 0.00 0.00 175.76 175.73 3i7p n VAL 222 N 3.37 0.35 -1.06 0.00 0.31 -1.15 -4.78 118.33 115.37 3i7p n VAL 222 Ca 0.10 -0.06 -0.34 0.00 -0.01 0.00 0.00 64.34 64.03 3i7p n VAL 222 Cb 0.39 -1.51 0.11 0.00 -0.91 0.00 0.00 33.84 31.91 3i7p n VAL 222 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 3i7p n PRO 223 N 5.35 0.08 0.00 5.55 -0.04 -1.26 -3.18 135.00 141.50 3i7p n PRO 223 Ca 0.23 0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.77 3i7p n PRO 223 Cb 0.23 -2.07 0.00 0.00 -0.04 0.00 0.00 33.50 31.62 3i7p n PRO 223 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3i7p n GLU 224 N -2.01 0.00 -0.20 0.54 1.02 -1.26 -1.34 120.64 117.39 3i7p n GLU 224 Ca 0.10 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.19 3i7p n GLU 224 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.94 3i7p n GLU 224 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 3i7p h PRO 225 N 0.00 -0.16 0.08 3.49 0.11 -1.88 -1.90 132.00 131.74 3i7p h PRO 225 Ca 0.00 0.01 -0.21 0.00 0.11 0.00 0.00 66.00 65.91 3i7p h PRO 225 Cb 0.00 0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.14 3i7p h PRO 225 CO 0.00 -0.11 -1.09 0.74 -0.21 0.00 0.00 178.00 177.34 3i7p h PHE 226 N -0.17 0.31 -2.96 0.65 -1.00 -1.68 -3.42 116.94 108.68 3i7p h PHE 226 Ca 0.23 -0.23 0.31 0.00 2.81 0.00 0.00 57.97 61.09 3i7p h PHE 226 Cb 0.55 -0.01 -0.15 0.00 3.61 0.00 0.00 35.95 39.95 3i7p h PHE 226 CO -0.63 1.42 -0.94 0.41 -1.61 0.00 0.00 178.31 176.96 3i7p n GLY 227 N 1.66 -2.92 0.00 -1.45 0.00 -0.45 -5.02 105.19 97.00 3i7p n GLY 227 Ca -0.22 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.67 3i7p n GLY 227 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i7p n GLY 228 N -4.04 0.37 2.97 -0.02 0.00 -1.24 -4.75 105.19 98.49 3i7p n GLY 228 Ca -0.06 -2.28 -0.13 0.00 0.00 0.00 0.00 46.02 43.55 3i7p n GLY 228 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i7p s ALA 229 N -1.96 -0.30 -0.15 4.61 0.00 0.72 -2.92 121.76 121.76 3i7p s ALA 229 Ca 0.00 0.51 -0.07 0.00 0.00 0.00 0.00 51.96 52.40 3i7p s ALA 229 Cb 0.00 -0.33 -0.04 0.00 0.00 0.00 0.00 23.12 22.75 3i7p s ALA 229 CO 0.00 -0.11 0.10 0.42 0.00 0.00 0.00 175.76 176.17 3i7p s ILE 230 N 0.57 5.14 -0.17 0.00 1.01 0.19 -0.32 121.20 127.63 3i7p s ILE 230 Ca -0.04 0.08 0.00 0.00 0.00 0.00 0.00 60.65 60.69 3i7p s ILE 230 Cb -0.06 -3.28 0.00 0.00 0.01 0.00 0.00 42.46 39.14 3i7p s ILE 230 CO -0.03 0.54 -0.15 -0.63 0.00 0.00 0.00 174.94 174.67 3i7p s ILE 231 N -0.34 2.58 -0.14 2.92 1.09 0.16 -0.03 121.20 127.44 3i7p s ILE 231 Ca 0.10 -0.79 -0.04 0.00 -1.10 0.00 0.00 60.65 58.83 3i7p s ILE 231 Cb -0.12 -2.10 -0.03 0.00 -1.06 0.00 0.00 42.46 39.15 3i7p s ILE 231 CO 0.01 0.51 -0.01 -0.63 -0.10 0.00 0.00 174.94 174.73 3i7p s ILE 232 N 1.01 4.18 0.00 2.92 1.01 -1.16 -1.65 121.20 127.52 3i7p s ILE 232 Ca -0.02 -0.27 0.00 0.00 0.00 0.00 0.00 60.65 60.37 3i7p s ILE 232 Cb -0.15 -2.82 0.00 0.00 0.01 0.00 0.00 42.46 39.50 3i7p s ILE 232 CO -0.04 0.52 0.00 0.61 0.00 0.00 0.00 174.94 176.03 3i7p n GLY 233 N 3.14 5.55 3.79 6.18 0.00 0.07 -1.01 105.19 122.91 3i7p n GLY 233 Ca -0.18 -1.98 -0.35 0.00 0.00 0.00 0.00 46.02 43.52 3i7p n GLY 233 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i7p s GLN 234 N -0.62 3.69 0.00 1.61 -1.52 -1.26 -4.02 119.66 117.54 3i7p s GLN 234 Ca 0.00 1.46 0.00 0.00 -1.95 0.00 0.00 55.36 54.87 3i7p s GLN 234 Cb 0.00 -2.10 0.00 0.00 -0.22 0.00 0.00 33.01 30.69 3i7p s GLN 234 CO 0.00 -0.54 0.00 -0.85 -0.25 0.00 0.00 175.29 173.65 3i7p n GLU 235 N -1.00 0.00 -4.06 2.91 -0.00 -1.26 -4.77 120.64 112.47 3i7p n GLU 235 Ca 0.10 0.00 -0.14 0.00 -0.00 0.00 0.00 57.16 57.12 3i7p n GLU 235 Cb 0.52 -1.06 -0.14 0.00 -0.00 0.00 0.00 31.44 30.76 3i7p n GLU 235 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 3i7p s SER 236 N -0.52 0.47 -0.01 -1.84 0.15 -1.26 -3.32 113.70 107.38 3i7p s SER 236 Ca 0.00 -0.17 0.02 0.00 0.70 0.00 0.00 55.95 56.50 3i7p s SER 236 Cb 0.00 -0.02 -0.00 0.00 -1.71 0.00 0.00 66.02 64.28 3i7p s SER 236 CO 0.00 -0.02 -0.06 -0.63 1.20 0.00 0.00 173.24 173.73 3i7p s ILE 237 N -0.37 0.51 0.06 6.45 1.01 -0.88 -0.75 121.20 127.23 3i7p s ILE 237 Ca -0.02 -0.27 -0.05 0.00 0.00 0.00 0.00 60.65 60.31 3i7p s ILE 237 Cb -0.03 -0.43 -0.02 0.00 0.01 0.00 0.00 42.46 41.99 3i7p s ILE 237 CO -0.00 0.15 0.08 0.42 0.00 0.00 0.00 174.94 175.59 3i7p s THR 238 N -0.12 0.17 -0.01 2.92 -4.23 -0.66 -1.02 115.64 112.70 3i7p s THR 238 Ca 0.02 -1.39 0.04 0.00 -1.18 0.00 0.00 61.69 59.18 3i7p s THR 238 Cb -0.03 -1.30 -0.01 0.00 1.34 0.00 0.00 72.50 72.50 3i7p s THR 238 CO -0.00 -0.77 -0.14 -0.47 -0.54 0.00 0.00 174.62 172.69 3i7p s TYR 239 N -3.58 1.28 0.05 3.99 5.04 -0.78 0.38 117.35 123.73 3i7p s TYR 239 Ca 0.03 -0.24 0.05 0.00 -2.44 0.00 0.00 57.07 54.47 3i7p s TYR 239 Cb 0.05 -0.82 -0.02 0.00 0.35 0.00 0.00 41.96 41.51 3i7p s TYR 239 CO -0.09 -0.02 -0.15 -1.01 -1.34 0.00 0.00 175.55 172.94 3i7p s HIS 240 N -0.35 1.29 0.10 4.97 3.76 0.57 -3.16 115.29 122.47 3i7p s HIS 240 Ca 0.05 -0.39 -0.25 0.00 -0.15 0.00 0.00 55.06 54.32 3i7p s HIS 240 Cb -0.06 -0.75 0.08 0.00 1.11 0.00 0.00 32.58 32.96 3i7p s HIS 240 CO -0.01 0.05 0.69 1.21 -0.85 0.00 0.00 174.74 175.84 3i7p s ASN 241 N -1.35 -0.52 0.00 1.40 3.84 -1.12 -0.20 114.94 116.99 3i7p s ASN 241 Ca 0.01 0.05 0.00 0.00 0.21 0.00 0.00 52.86 53.13 3i7p s ASN 241 Cb -0.09 0.53 0.00 0.00 -0.55 0.00 0.00 41.25 41.15 3i7p s ASN 241 CO 0.02 -0.84 0.00 0.61 -2.79 0.00 0.00 177.10 174.10 3i7p n GLY 242 N -0.24 0.00 1.01 1.21 0.00 -1.26 -0.18 105.19 105.73 3i7p n GLY 242 Ca -0.15 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.95 3i7p n GLY 242 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i7p n ASP 243 N 0.00 3.80 -4.80 1.61 9.92 -1.26 -4.84 116.55 120.98 3i7p n ASP 243 Ca 0.00 -2.45 -0.39 0.00 -0.53 0.00 0.00 54.79 51.42 3i7p n ASP 243 Cb 0.00 -0.44 -0.06 0.00 -0.64 0.00 0.00 41.12 39.98 3i7p n ASP 243 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 3i7p s LYS 244 N -1.83 4.30 -0.34 -1.24 2.47 0.75 -5.06 119.74 118.80 3i7p s LYS 244 Ca 0.38 0.85 0.06 0.00 -1.56 0.00 0.00 55.97 55.71 3i7p s LYS 244 Cb 0.25 -3.25 0.19 0.00 -1.46 0.00 0.00 37.83 33.57 3i7p s LYS 244 CO 0.16 0.62 0.59 -0.47 0.16 0.00 0.00 175.35 176.41 3i7p s TYR 245 N -1.11 -1.74 0.23 4.03 5.04 -1.26 -2.81 117.35 119.74 3i7p s TYR 245 Ca 0.31 0.70 0.06 0.00 -2.44 0.00 0.00 57.07 55.69 3i7p s TYR 245 Cb -0.20 0.28 -0.03 0.00 0.35 0.00 0.00 41.96 42.35 3i7p s TYR 245 CO 0.21 -1.11 0.28 -0.51 -1.34 0.00 0.00 175.55 173.08 3i7p s LEU 246 N 2.42 4.10 -0.29 6.97 1.43 -1.19 -5.00 118.68 127.12 3i7p s LEU 246 Ca 0.12 -0.06 -0.20 0.00 -1.03 0.00 0.00 54.13 52.97 3i7p s LEU 246 Cb -0.08 -2.64 0.16 0.00 0.03 0.00 0.00 46.19 43.66 3i7p s LEU 246 CO -0.19 -0.04 1.14 0.00 0.23 0.00 0.00 176.35 177.49 3i7p s ALA 247 N -2.01 -2.29 0.06 4.21 0.00 -1.26 -1.87 121.76 118.60 3i7p s ALA 247 Ca 0.33 1.99 0.04 0.00 0.00 0.00 0.00 51.96 54.32 3i7p s ALA 247 Cb -0.09 -1.73 -0.03 0.00 0.00 0.00 0.00 23.12 21.27 3i7p s ALA 247 CO 0.27 -0.27 -0.11 0.96 0.00 0.00 0.00 175.76 176.61 3i7p s ILE 248 N 0.80 0.83 -0.56 0.00 -4.36 -0.19 -5.01 121.20 112.71 3i7p s ILE 248 Ca -0.03 -1.27 0.07 0.00 -0.26 0.00 0.00 60.65 59.16 3i7p s ILE 248 Cb -0.04 -0.92 0.26 0.00 1.25 0.00 0.00 42.46 43.01 3i7p s ILE 248 CO -0.12 -0.35 0.71 0.00 0.24 0.00 0.00 174.94 175.42 3i7p n ALA 249 N 1.23 3.64 -2.37 2.27 0.00 -1.26 -2.07 120.51 121.95 3i7p n ALA 249 Ca -0.21 -4.38 -0.43 0.00 0.00 0.00 0.00 53.44 48.42 3i7p n ALA 249 Cb 0.55 -0.86 -0.02 0.00 0.00 0.00 0.00 19.45 19.11 3i7p n ALA 249 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3i7p s PRO 250 N -2.23 3.61 0.44 0.00 0.04 -1.21 -4.85 135.00 130.79 3i7p s PRO 250 Ca 0.39 0.92 0.31 0.00 0.04 0.00 0.00 61.00 62.67 3i7p s PRO 250 Cb 0.17 -4.01 1.49 0.00 0.04 0.00 0.00 34.50 32.19 3i7p s PRO 250 CO -0.05 -1.53 1.58 -1.35 0.04 0.00 0.00 177.00 175.69 3i7p h PRO 251 N 10.50 0.00 -0.96 0.56 0.11 -1.98 -0.55 132.00 139.68 3i7p h PRO 251 Ca -0.27 -0.00 0.17 0.00 0.11 0.00 0.00 66.00 66.01 3i7p h PRO 251 Cb 1.10 -0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.12 3i7p h PRO 251 CO 1.09 0.00 0.61 0.97 -0.21 0.00 0.00 178.00 180.45 3i7p h ILE 252 N 0.00 0.76 0.00 4.15 2.10 -1.94 -0.16 117.51 122.42 3i7p h ILE 252 Ca 0.88 -0.24 0.00 0.00 1.08 0.00 0.00 64.86 66.58 3i7p h ILE 252 Cb 2.79 -0.01 0.00 0.00 -1.09 0.00 0.00 36.82 38.51 3i7p h ILE 252 CO -0.51 0.13 -0.37 0.16 -1.08 0.00 0.00 178.15 176.48 3i7p h ILE 253 N 0.71 0.00 -0.63 2.19 3.07 -1.43 -3.32 117.51 118.11 3i7p h ILE 253 Ca 0.51 -0.54 0.03 0.00 1.55 0.00 0.00 64.86 66.42 3i7p h ILE 253 Cb 0.85 1.30 -0.03 0.00 -0.27 0.00 0.00 36.82 38.66 3i7p h ILE 253 CO -0.28 0.00 0.41 0.50 -1.05 0.00 0.00 178.15 177.74 3i7p h LYS 254 N 0.00 0.72 -1.63 0.16 3.64 -1.10 -3.02 116.57 115.34 3i7p h LYS 254 Ca 0.00 -0.04 0.47 0.00 -1.27 0.00 0.00 60.65 59.81 3i7p h LYS 254 Cb 0.77 -0.16 -0.07 0.00 -0.41 0.00 0.00 32.23 32.36 3i7p h LYS 254 CO 0.00 0.47 1.17 0.37 -2.27 0.00 0.00 179.45 179.20 3i7p h GLN 255 N 0.74 0.00 -2.18 1.90 5.75 -1.68 -3.42 115.11 116.22 3i7p h GLN 255 Ca 0.25 0.00 0.19 0.00 -0.15 0.00 0.00 58.65 58.94 3i7p h GLN 255 Cb 0.08 0.00 -0.10 0.00 1.07 0.00 0.00 27.48 28.53 3i7p h GLN 255 CO -0.07 0.00 0.54 0.45 -2.65 0.00 0.00 178.83 177.10 3i7p s SER 256 N -4.46 -0.19 0.09 -0.69 0.15 -1.14 -5.05 113.70 102.41 3i7p s SER 256 Ca -0.05 -0.28 -0.19 0.00 0.70 0.00 0.00 55.95 56.13 3i7p s SER 256 Cb 0.25 0.41 -0.07 0.00 -1.71 0.00 0.00 66.02 64.91 3i7p s SER 256 CO 0.86 -0.75 0.58 -0.89 1.20 0.00 0.00 173.24 174.24 3i7p s THR 257 N -3.11 4.73 0.58 6.45 2.01 -1.26 -4.82 115.64 120.21 3i7p s THR 257 Ca 0.11 1.18 -0.16 0.00 0.31 0.00 0.00 61.69 63.13 3i7p s THR 257 Cb -0.00 -3.88 -0.04 0.00 0.01 0.00 0.00 72.50 68.58 3i7p s THR 257 CO -0.01 0.49 1.05 -0.63 -0.69 0.00 0.00 174.62 174.84 3i7p s ILE 258 N -1.19 3.81 0.00 1.82 1.01 -1.26 -1.70 121.20 123.70 3i7p s ILE 258 Ca 0.31 0.90 0.00 0.00 0.00 0.00 0.00 60.65 61.86 3i7p s ILE 258 Cb -0.19 -3.40 0.00 0.00 0.01 0.00 0.00 42.46 38.88 3i7p s ILE 258 CO 0.19 -0.47 0.00 0.55 0.00 0.00 0.00 174.94 175.22 3i7p n VAL 259 N -1.86 0.00 -3.58 2.92 3.14 0.11 -4.89 118.33 114.16 3i7p n VAL 259 Ca 0.09 0.00 -0.15 0.00 -2.96 0.00 0.00 64.34 61.31 3i7p n VAL 259 Cb 0.53 0.00 -0.07 0.00 -1.06 0.00 0.00 33.84 33.24 3i7p n VAL 259 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3i7p s HIS 261 N -0.30 1.63 -0.20 0.00 -0.00 -1.26 0.13 115.29 115.30 3i7p s HIS 261 Ca -0.04 -1.20 -0.26 0.00 -0.00 0.00 0.00 55.06 53.56 3i7p s HIS 261 Cb -0.03 -0.97 0.07 0.00 -0.00 0.00 0.00 32.58 31.65 3i7p s HIS 261 CO 0.04 -0.33 0.69 1.21 -0.00 0.00 0.00 174.74 176.35 3i7p s ASN 262 N -3.37 -0.70 -0.22 7.38 2.47 -1.04 -4.53 114.94 114.93 3i7p s ASN 262 Ca 0.36 1.19 -0.24 0.00 0.42 0.00 0.00 52.86 54.59 3i7p s ASN 262 Cb 0.07 1.16 -0.01 0.00 -1.45 0.00 0.00 41.25 41.02 3i7p s ASN 262 CO 0.15 -0.35 0.81 -0.60 -3.72 0.00 0.00 177.10 173.39 3i7p s ARG 263 N -0.09 4.22 -0.15 0.43 3.52 -1.26 0.12 118.95 125.75 3i7p s ARG 263 Ca -0.03 0.93 -0.17 0.00 -0.13 0.00 0.00 55.73 56.33 3i7p s ARG 263 Cb -0.04 -3.62 -0.14 0.00 -1.56 0.00 0.00 34.95 29.59 3i7p s ARG 263 CO 0.03 -0.44 0.31 0.28 -0.81 0.00 0.00 175.30 174.68 3i7p h VAL 264 N 5.34 0.88 -3.42 7.11 2.07 -1.56 -3.43 116.25 123.24 3i7p h VAL 264 Ca -0.26 -1.77 -0.62 0.00 0.82 0.00 0.00 66.70 64.87 3i7p h VAL 264 Cb 1.11 1.77 -0.16 0.00 -1.52 0.00 0.00 31.29 32.49 3i7p h VAL 264 CO 0.85 0.30 -0.56 -1.81 0.02 0.00 0.00 177.57 176.37 3i7p s ASP 265 N -6.12 5.69 0.54 0.57 1.01 -1.21 -4.96 116.67 112.20 3i7p s ASP 265 Ca -0.16 0.05 0.46 0.00 0.71 0.00 0.00 52.55 53.61 3i7p s ASP 265 Cb 0.00 -2.00 1.68 0.00 1.01 0.00 0.00 42.92 43.62 3i7p s ASP 265 CO 0.42 0.11 1.62 -0.65 0.21 0.00 0.00 175.17 176.89 3i7p h PRO 266 N 7.14 0.01 0.00 8.23 0.11 -1.92 1.06 132.00 146.62 3i7p h PRO 266 Ca -0.37 -0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.66 3i7p h PRO 266 Cb 1.17 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 3i7p h PRO 266 CO 0.67 0.00 -0.92 -2.95 -0.21 0.00 0.00 178.00 174.60 3i7p h ASN 267 N 0.01 0.00 0.00 -2.05 -1.07 -1.96 -3.45 115.58 107.06 3i7p h ASN 267 Ca 0.86 0.00 0.00 0.00 0.07 0.00 0.00 56.30 57.23 3i7p h ASN 267 Cb 3.39 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 39.64 3i7p h ASN 267 CO -0.05 0.29 0.00 0.61 0.07 0.00 0.00 177.43 178.35 3i7p n GLY 268 N 1.25 0.96 0.31 9.14 0.00 0.37 -4.48 105.19 112.73 3i7p n GLY 268 Ca -0.02 -0.26 -0.01 0.00 0.00 0.00 0.00 46.02 45.73 3i7p n GLY 268 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3i7p h SER 269 N 0.00 0.73 -4.42 1.61 4.64 -1.86 -3.42 113.55 110.83 3i7p h SER 269 Ca 0.00 -0.09 -0.38 0.00 -0.47 0.00 0.00 61.79 60.84 3i7p h SER 269 Cb 0.03 -0.19 -0.20 0.00 -0.31 0.00 0.00 62.40 61.73 3i7p h SER 269 CO 0.00 0.66 -0.76 -0.13 -0.87 0.00 0.00 176.83 175.73 3i7p s ARG 270 N -5.36 0.83 -0.06 4.77 0.52 -1.26 0.41 118.95 118.80 3i7p s ARG 270 Ca -0.10 -1.02 -0.13 0.00 -0.52 0.00 0.00 55.73 53.96 3i7p s ARG 270 Cb 0.16 -0.74 0.03 0.00 0.52 0.00 0.00 34.95 34.92 3i7p s ARG 270 CO 0.78 0.15 0.31 0.71 0.02 0.00 0.00 175.30 177.28 3i7p s TYR 271 N -1.64 -0.25 0.35 -0.53 1.51 -0.18 -1.36 117.35 115.24 3i7p s TYR 271 Ca 0.00 0.53 -0.12 0.00 -1.01 0.00 0.00 57.07 56.48 3i7p s TYR 271 Cb -0.08 0.10 -0.08 0.00 -0.11 0.00 0.00 41.96 41.80 3i7p s TYR 271 CO 0.02 -0.29 0.73 -0.51 -1.11 0.00 0.00 175.55 174.39 3i7p s LEU 272 N -0.63 3.98 -0.03 -1.29 1.43 0.12 -0.47 118.68 121.79 3i7p s LEU 272 Ca -0.07 1.17 0.01 0.00 -1.03 0.00 0.00 54.13 54.21 3i7p s LEU 272 Cb -0.04 -4.00 0.02 0.00 0.03 0.00 0.00 46.19 42.20 3i7p s LEU 272 CO 0.02 -0.27 -0.03 -0.76 0.23 0.00 0.00 176.35 175.54 3i7p s LEU 273 N -3.34 1.46 -0.06 1.79 1.43 0.11 -2.50 118.68 117.56 3i7p s LEU 273 Ca 0.52 -0.08 -0.11 0.00 -1.03 0.00 0.00 54.13 53.43 3i7p s LEU 273 Cb -0.10 -0.32 -0.05 0.00 0.03 0.00 0.00 46.19 45.75 3i7p s LEU 273 CO 0.24 -0.04 0.29 -0.83 0.23 0.00 0.00 176.35 176.23 3i7p s GLY 274 N 0.67 2.33 0.14 -3.19 0.00 0.35 -0.96 107.32 106.66 3i7p s GLY 274 Ca -0.08 -0.41 0.03 0.00 0.00 0.00 0.00 44.72 44.26 3i7p s GLY 274 CO -0.01 -0.07 0.20 -0.35 0.00 0.00 0.00 173.10 172.87 3i7p s ASP 275 N -1.00 5.96 0.63 1.64 3.68 -0.75 -0.71 116.67 126.11 3i7p s ASP 275 Ca 0.20 0.05 0.42 0.00 2.13 0.00 0.00 52.55 55.34 3i7p s ASP 275 Cb -0.14 -1.70 2.22 0.00 -1.45 0.00 0.00 42.92 41.85 3i7p s ASP 275 CO 0.09 0.08 2.28 -0.03 0.13 0.00 0.00 175.17 177.71 3i7p h MET 276 N 2.40 0.00 0.00 4.34 1.85 -1.66 -2.33 114.93 119.52 3i7p h MET 276 Ca -0.48 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 58.61 3i7p h MET 276 Cb 1.19 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.22 3i7p h MET 276 CO 0.67 0.00 -0.19 0.39 -0.40 0.00 0.00 176.91 177.37 3i7p n GLU 277 N -3.01 0.07 -0.33 0.39 -0.58 -1.26 -4.86 120.64 111.05 3i7p n GLU 277 Ca -0.02 0.04 0.00 0.00 -0.42 0.00 0.00 57.16 56.76 3i7p n GLU 277 Cb 0.10 -1.57 0.00 0.00 -0.57 0.00 0.00 31.44 29.40 3i7p n GLU 277 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3i7p n GLY 278 N 1.45 1.05 3.78 0.62 0.00 -0.88 -4.86 105.19 106.35 3i7p n GLY 278 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 3i7p n GLY 278 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i7p s ARG 279 N -0.48 3.93 -0.12 1.61 0.52 -1.26 0.16 118.95 123.30 3i7p s ARG 279 Ca 0.00 1.61 0.02 0.00 -0.52 0.00 0.00 55.73 56.83 3i7p s ARG 279 Cb 0.00 -2.41 -0.01 0.00 0.52 0.00 0.00 34.95 33.05 3i7p s ARG 279 CO 0.00 -0.37 -0.18 -1.17 0.02 0.00 0.00 175.30 173.60 3i7p s LEU 280 N -2.94 2.39 0.05 2.53 2.96 -1.03 -1.82 118.68 120.82 3i7p s LEU 280 Ca 0.62 -0.46 0.09 0.00 -0.22 0.00 0.00 54.13 54.15 3i7p s LEU 280 Cb -0.24 -1.51 -0.03 0.00 0.50 0.00 0.00 46.19 44.91 3i7p s LEU 280 CO 0.30 0.14 -0.25 -0.36 -1.32 0.00 0.00 176.35 174.86 3i7p s PHE 281 N 0.46 2.18 -0.31 5.38 0.40 -0.13 -0.99 117.98 124.96 3i7p s PHE 281 Ca -0.13 -0.40 -0.16 0.00 -0.60 0.00 0.00 56.93 55.64 3i7p s PHE 281 Cb -0.17 -1.30 -0.02 0.00 0.51 0.00 0.00 43.02 42.05 3i7p s PHE 281 CO 0.06 0.13 0.41 1.41 0.70 0.00 0.00 175.22 177.92 3i7p s MET 282 N -1.26 3.76 -0.23 0.44 -2.45 0.30 0.06 119.30 119.92 3i7p s MET 282 Ca 0.11 -0.16 -0.15 0.00 -1.25 0.00 0.00 55.69 54.23 3i7p s MET 282 Cb -0.10 -3.74 -0.04 0.00 1.25 0.00 0.00 34.83 32.20 3i7p s MET 282 CO 0.02 -0.45 0.38 -1.17 1.05 0.00 0.00 175.02 174.85 3i7p s LEU 283 N 2.13 4.10 -0.08 4.11 0.20 0.39 -0.34 118.68 129.20 3i7p s LEU 283 Ca 0.15 0.41 0.05 0.00 0.69 0.00 0.00 54.13 55.43 3i7p s LEU 283 Cb -0.16 -2.47 -0.01 0.00 -0.43 0.00 0.00 46.19 43.13 3i7p s LEU 283 CO 0.11 -0.12 -0.23 -0.76 -0.29 0.00 0.00 176.35 175.06 3i7p s LEU 284 N 1.63 2.15 -0.20 -0.68 1.02 0.30 -1.01 118.68 121.89 3i7p s LEU 284 Ca 0.17 -0.50 -0.06 0.00 0.02 0.00 0.00 54.13 53.75 3i7p s LEU 284 Cb -0.15 -1.41 -0.03 0.00 0.02 0.00 0.00 46.19 44.62 3i7p s LEU 284 CO 0.08 0.21 0.04 -0.76 0.02 0.00 0.00 176.35 175.94 3i7p s LEU 285 N 0.03 3.49 -0.63 1.79 1.43 0.17 -1.02 118.68 123.93 3i7p s LEU 285 Ca -0.09 -0.10 -0.23 0.00 -1.03 0.00 0.00 54.13 52.68 3i7p s LEU 285 Cb -0.15 -1.89 0.06 0.00 0.03 0.00 0.00 46.19 44.23 3i7p s LEU 285 CO 0.06 0.08 0.98 -0.70 0.23 0.00 0.00 176.35 177.00 3i7p s GLU 286 N 0.89 3.18 1.25 1.70 2.12 0.28 -4.76 118.70 123.35 3i7p s GLU 286 Ca 0.02 -0.63 -0.15 0.00 0.36 0.00 0.00 54.97 54.57 3i7p s GLU 286 Cb -0.14 -4.17 0.32 0.00 0.26 0.00 0.00 34.13 30.39 3i7p s GLU 286 CO 0.02 -1.75 0.99 0.15 -0.54 0.00 0.00 175.26 174.14 3i7p s LYS 287 N 4.16 -1.60 -0.29 4.30 1.02 -1.26 0.59 119.74 126.66 3i7p s LYS 287 Ca 0.25 0.64 -0.15 0.00 0.02 0.00 0.00 55.97 56.73 3i7p s LYS 287 Cb -0.15 -1.49 0.12 0.00 -0.52 0.00 0.00 37.83 35.79 3i7p s LYS 287 CO 0.13 -4.12 0.80 -2.00 -0.92 0.00 0.00 175.35 169.23 3i7p s GLU 288 N -4.59 0.55 0.02 1.68 2.12 -1.21 -4.32 118.70 112.95 3i7p s GLU 288 Ca 0.69 1.05 0.04 0.00 0.36 0.00 0.00 54.97 57.11 3i7p s GLU 288 Cb -0.22 0.28 -0.03 0.00 0.26 0.00 0.00 34.13 34.41 3i7p s GLU 288 CO 0.63 -0.13 -0.07 -2.00 -0.54 0.00 0.00 175.26 173.15 3i7p s GLU 289 N 1.85 2.50 0.10 4.30 2.12 -1.26 -0.34 118.70 127.97 3i7p s GLU 289 Ca -0.08 -0.77 0.10 0.00 0.36 0.00 0.00 54.97 54.58 3i7p s GLU 289 Cb -0.06 -2.48 -0.04 0.00 0.26 0.00 0.00 34.13 31.82 3i7p s GLU 289 CO -0.18 0.59 -0.26 1.14 -0.54 0.00 0.00 175.26 176.00 3i7p s GLN 290 N -1.57 1.57 0.00 4.30 -2.07 -1.26 -5.01 119.66 115.62 3i7p s GLN 290 Ca 0.18 -1.25 0.00 0.00 -1.82 0.00 0.00 55.36 52.47 3i7p s GLN 290 Cb -0.11 -1.94 0.00 0.00 -1.09 0.00 0.00 33.01 29.87 3i7p s GLN 290 CO 0.09 0.47 0.61 -1.33 -1.32 0.00 0.00 175.29 173.81 3i7p n MET 291 N 1.22 0.00 -3.10 9.60 2.81 -1.26 -2.00 117.12 124.39 3i7p n MET 291 Ca -0.17 0.61 -0.41 0.00 -1.81 0.00 0.00 57.70 55.91 3i7p n MET 291 Cb 0.53 -1.06 -0.00 0.00 -0.71 0.00 0.00 33.22 31.97 3i7p n MET 291 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 3i7p n ASP 292 N -1.61 5.99 -3.63 7.83 5.75 -1.26 -4.97 116.55 124.65 3i7p n ASP 292 Ca 0.00 -3.37 -0.12 0.00 -0.01 0.00 0.00 54.79 51.29 3i7p n ASP 292 Cb 0.00 -1.21 -0.07 0.00 -1.03 0.00 0.00 41.12 38.81 3i7p n ASP 292 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3i7p s GLY 293 N -1.46 -0.55 0.60 6.12 0.00 -0.85 -5.17 107.32 106.02 3i7p s GLY 293 Ca 0.32 2.13 -0.19 0.00 0.00 0.00 0.00 44.72 46.99 3i7p s GLY 293 CO 0.07 1.89 1.21 -1.59 0.00 0.00 0.00 173.10 174.68 3i7p s THR 294 N 0.65 2.60 0.05 0.90 2.01 -1.26 -4.04 115.64 116.54 3i7p s THR 294 Ca -0.02 0.37 -0.30 0.00 0.31 0.00 0.00 61.69 62.05 3i7p s THR 294 Cb -0.05 -3.13 -0.09 0.00 0.01 0.00 0.00 72.50 69.24 3i7p s THR 294 CO -0.04 -0.09 1.92 0.68 -0.69 0.00 0.00 174.62 176.40 3i7p s VAL 295 N -1.61 2.96 0.00 3.82 -7.23 -1.26 -4.73 120.40 112.34 3i7p s VAL 295 Ca 0.77 0.08 0.00 0.00 -1.81 0.00 0.00 61.98 61.02 3i7p s VAL 295 Cb -0.30 -3.05 0.00 0.00 0.56 0.00 0.00 36.38 33.58 3i7p s VAL 295 CO 0.34 -0.01 0.00 1.07 -0.31 0.00 0.00 175.10 176.19 3i7p n THR 296 N 5.38 0.00 -3.72 5.32 5.66 0.54 -4.69 114.28 122.77 3i7p n THR 296 Ca 0.19 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 61.07 3i7p n THR 296 Cb 0.41 -0.78 -0.13 0.00 -1.55 0.00 0.00 70.33 68.27 3i7p n THR 296 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 3i7p s LEU 297 N 0.00 0.28 -0.21 1.09 1.02 -1.26 -3.32 118.68 116.27 3i7p s LEU 297 Ca 0.00 0.54 -0.16 0.00 0.02 0.00 0.00 54.13 54.53 3i7p s LEU 297 Cb 0.00 0.73 -0.11 0.00 0.02 0.00 0.00 46.19 46.83 3i7p s LEU 297 CO 0.00 -0.18 -0.13 1.17 0.02 0.00 0.00 176.35 177.23 3i7p n LYS 298 N 4.44 0.54 -3.56 1.70 3.00 0.20 -4.93 118.16 119.56 3i7p n LYS 298 Ca -0.22 0.41 -0.11 0.00 -0.00 0.00 0.00 58.31 58.39 3i7p n LYS 298 Cb 0.52 -1.61 -0.03 0.00 0.00 0.00 0.00 35.03 33.91 3i7p n LYS 298 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 3i7p s ASP 299 N -6.65 -0.37 -0.05 3.14 2.15 -1.19 -4.99 116.67 108.71 3i7p s ASP 299 Ca -0.29 -0.20 0.03 0.00 0.43 0.00 0.00 52.55 52.52 3i7p s ASP 299 Cb 0.07 0.53 0.00 0.00 -0.30 0.00 0.00 42.92 43.23 3i7p s ASP 299 CO 0.46 -0.91 -0.15 -1.48 -0.17 0.00 0.00 175.17 172.92 3i7p s LEU 300 N -2.79 1.82 0.18 -1.34 2.34 -1.26 0.99 118.68 118.62 3i7p s LEU 300 Ca 0.03 -0.32 0.03 0.00 0.06 0.00 0.00 54.13 53.92 3i7p s LEU 300 Cb 0.01 -0.89 -0.05 0.00 -0.56 0.00 0.00 46.19 44.70 3i7p s LEU 300 CO -0.12 0.10 -0.02 0.00 -1.06 0.00 0.00 176.35 175.25 3i7p s ARG 301 N 0.29 1.16 -0.16 1.48 1.70 -0.19 -4.89 118.95 118.33 3i7p s ARG 301 Ca -0.08 -1.55 0.01 0.00 -0.47 0.00 0.00 55.73 53.63 3i7p s ARG 301 Cb -0.13 -0.44 0.00 0.00 -0.57 0.00 0.00 34.95 33.82 3i7p s ARG 301 CO 0.03 -0.08 -0.17 0.08 -1.08 0.00 0.00 175.30 174.09 3i7p s VAL 302 N -3.52 2.50 -0.25 4.99 1.01 -1.26 -0.54 120.40 123.33 3i7p s VAL 302 Ca 0.23 -0.82 -0.04 0.00 0.00 0.00 0.00 61.98 61.35 3i7p s VAL 302 Cb 0.05 -2.05 0.01 0.00 0.00 0.00 0.00 36.38 34.39 3i7p s VAL 302 CO 0.04 0.52 -0.01 -0.70 0.00 0.00 0.00 175.10 174.96 3i7p s GLU 303 N 0.93 3.14 0.14 2.72 2.12 0.54 -4.97 118.70 123.32 3i7p s GLU 303 Ca -0.03 -0.79 -0.31 0.00 0.36 0.00 0.00 54.97 54.19 3i7p s GLU 303 Cb -0.15 -3.12 -0.10 0.00 0.26 0.00 0.00 34.13 31.02 3i7p s GLU 303 CO -0.03 -0.33 1.70 -1.17 -0.54 0.00 0.00 175.26 174.89 3i7p s LEU 304 N 1.44 4.38 -0.15 2.70 2.96 -1.26 -0.54 118.68 128.21 3i7p s LEU 304 Ca 0.03 2.68 0.11 0.00 -0.22 0.00 0.00 54.13 56.72 3i7p s LEU 304 Cb -0.16 -3.58 -0.16 0.00 0.50 0.00 0.00 46.19 42.79 3i7p s LEU 304 CO -0.02 -0.92 0.01 0.18 -1.32 0.00 0.00 176.35 174.28 3i7p n LEU 305 N 4.89 0.54 0.00 -0.68 4.77 -0.16 -4.90 117.00 121.45 3i7p n LEU 305 Ca 0.16 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 3i7p n LEU 305 Cb 0.38 0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.64 3i7p n LEU 305 CO 0.63 0.43 0.00 0.61 -1.33 0.00 0.00 177.39 177.74 3i7p n GLY 306 N 2.22 -0.33 3.20 -0.72 0.00 -1.20 -0.85 105.19 107.52 3i7p n GLY 306 Ca -0.25 -0.31 -0.11 0.00 0.00 0.00 0.00 46.02 45.35 3i7p n GLY 306 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3i7p s GLU 307 N -0.15 0.33 0.00 1.61 2.12 -1.26 -2.47 118.70 118.88 3i7p s GLU 307 Ca 0.00 0.74 0.00 0.00 0.36 0.00 0.00 54.97 56.07 3i7p s GLU 307 Cb 0.00 -0.03 0.00 0.00 0.26 0.00 0.00 34.13 34.36 3i7p s GLU 307 CO 0.00 -0.17 0.00 0.25 -0.54 0.00 0.00 175.26 174.80 3i7p n THR 308 N 4.37 0.00 -2.00 -1.70 -2.24 0.43 -4.93 114.28 108.21 3i7p n THR 308 Ca -0.22 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.27 3i7p n THR 308 Cb 0.54 0.00 0.07 0.00 -2.10 0.00 0.00 70.33 68.84 3i7p n THR 308 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3i7p s SER 309 N -0.78 4.89 -0.08 3.42 0.01 -1.26 -4.59 113.70 115.31 3i7p s SER 309 Ca 0.00 0.80 -0.29 0.00 1.31 0.00 0.00 55.95 57.77 3i7p s SER 309 Cb 0.00 -1.44 -0.07 0.00 0.21 0.00 0.00 66.02 64.72 3i7p s SER 309 CO 0.00 -1.64 2.04 -0.63 0.41 0.00 0.00 173.24 173.42 3i7p s ILE 310 N -3.41 3.07 -0.06 1.44 -1.09 -1.26 -4.59 121.20 115.29 3i7p s ILE 310 Ca 0.60 0.08 -0.14 0.00 -2.23 0.00 0.00 60.65 58.96 3i7p s ILE 310 Cb -0.11 -3.06 -0.05 0.00 -1.58 0.00 0.00 42.46 37.66 3i7p s ILE 310 CO 0.49 -0.02 0.35 0.00 -1.23 0.00 0.00 174.94 174.52 3i7p s ALA 311 N 5.98 3.68 -0.16 9.38 0.00 -1.26 -4.20 121.76 135.19 3i7p s ALA 311 Ca 0.92 -0.33 0.05 0.00 0.00 0.00 0.00 51.96 52.61 3i7p s ALA 311 Cb -0.38 -2.35 -0.23 0.00 0.00 0.00 0.00 23.12 20.16 3i7p s ALA 311 CO 0.38 0.37 0.20 0.39 0.00 0.00 0.00 175.76 177.11 3i7p n GLU 312 N 2.39 0.69 -3.71 0.00 -0.58 0.14 -4.74 120.64 114.82 3i7p n GLU 312 Ca -0.14 0.18 -0.17 0.00 -0.42 0.00 0.00 57.16 56.61 3i7p n GLU 312 Cb 0.53 -1.63 -0.17 0.00 -0.57 0.00 0.00 31.44 29.59 3i7p n GLU 312 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3i7p s LEU 314 N 1.76 2.04 -0.16 0.00 1.02 -1.26 -0.95 118.68 121.14 3i7p s LEU 314 Ca -0.01 -0.39 -0.04 0.00 0.02 0.00 0.00 54.13 53.71 3i7p s LEU 314 Cb -0.12 -1.11 0.08 0.00 0.02 0.00 0.00 46.19 45.05 3i7p s LEU 314 CO -0.04 0.26 0.23 -0.89 0.02 0.00 0.00 176.35 175.93 3i7p s THR 315 N -0.51 -0.35 0.22 5.49 2.01 -0.90 -4.64 115.64 116.96 3i7p s THR 315 Ca 0.08 0.11 -0.30 0.00 0.31 0.00 0.00 61.69 61.89 3i7p s THR 315 Cb -0.08 -0.53 -0.09 0.00 0.01 0.00 0.00 72.50 71.81 3i7p s THR 315 CO -0.01 -0.03 1.33 -0.47 -0.69 0.00 0.00 174.62 174.75 3i7p s TYR 316 N 2.36 3.21 0.00 4.92 5.04 -1.26 -0.26 117.35 131.35 3i7p s TYR 316 Ca 0.04 1.21 0.00 0.00 -2.44 0.00 0.00 57.07 55.88 3i7p s TYR 316 Cb -0.14 -3.64 0.00 0.00 0.35 0.00 0.00 41.96 38.54 3i7p s TYR 316 CO -0.10 -1.98 0.00 1.28 -1.34 0.00 0.00 175.55 173.41 3i7p n LEU 317 N 2.46 0.00 0.00 6.97 4.77 -0.08 -4.89 117.00 126.23 3i7p n LEU 317 Ca 0.06 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 3i7p n LEU 317 Cb 0.42 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 3i7p n LEU 317 CO 0.58 0.00 0.00 0.47 -1.33 0.00 0.00 177.39 177.11 3i7p n ASP 318 N 0.00 0.00 -3.88 -1.43 10.43 -1.26 -4.86 116.55 115.55 3i7p n ASP 318 Ca 0.00 0.00 -0.30 0.00 2.57 0.00 0.00 54.79 57.06 3i7p n ASP 318 Cb 0.00 0.00 -0.15 0.00 1.84 0.00 0.00 41.12 42.81 3i7p n ASP 318 CO 0.00 0.00 0.00 0.20 -1.07 0.00 0.00 177.20 176.33 3i7p s ASN 319 N -1.79 4.34 0.00 -2.24 0.01 -1.26 -4.66 114.94 109.34 3i7p s ASN 319 Ca 0.00 -2.15 0.00 0.00 -0.71 0.00 0.00 52.86 50.00 3i7p s ASN 319 Cb 0.00 -1.31 0.00 0.00 0.41 0.00 0.00 41.25 40.35 3i7p s ASN 319 CO 0.00 -0.36 0.00 0.61 -1.51 0.00 0.00 177.10 175.84 3i7p n GLY 320 N 4.23 1.83 3.77 0.66 0.00 -1.26 -4.91 105.19 109.50 3i7p n GLY 320 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 3i7p n GLY 320 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i7p s VAL 321 N -1.85 2.88 -0.05 1.61 -7.23 -1.25 0.56 120.40 115.06 3i7p s VAL 321 Ca 0.00 0.81 -0.02 0.00 -1.81 0.00 0.00 61.98 60.96 3i7p s VAL 321 Cb 0.00 -3.48 0.04 0.00 0.56 0.00 0.00 36.38 33.49 3i7p s VAL 321 CO 0.00 0.13 0.10 -0.69 -0.31 0.00 0.00 175.10 174.33 3i7p s VAL 322 N -1.26 -0.11 0.10 1.32 1.01 0.42 -0.90 120.40 120.98 3i7p s VAL 322 Ca 0.54 0.29 -0.27 0.00 0.00 0.00 0.00 61.98 62.53 3i7p s VAL 322 Cb -0.36 -0.19 -0.06 0.00 0.00 0.00 0.00 36.38 35.77 3i7p s VAL 322 CO 0.46 0.12 0.84 0.12 0.00 0.00 0.00 175.10 176.64 3i7p s PHE 323 N 1.62 3.81 -0.44 5.22 5.36 0.64 -0.58 117.98 133.61 3i7p s PHE 323 Ca -0.03 1.64 0.03 0.00 -0.96 0.00 0.00 56.93 57.60 3i7p s PHE 323 Cb -0.12 -2.89 0.12 0.00 -0.34 0.00 0.00 43.02 39.79 3i7p s PHE 323 CO -0.04 0.32 0.21 0.08 -1.46 0.00 0.00 175.22 174.32 3i7p s VAL 324 N -0.34 1.93 -0.10 3.12 1.01 0.20 -2.12 120.40 124.10 3i7p s VAL 324 Ca 0.41 -2.71 -0.30 0.00 0.00 0.00 0.00 61.98 59.38 3i7p s VAL 324 Cb -0.22 -2.36 -0.02 0.00 0.00 0.00 0.00 36.38 33.78 3i7p s VAL 324 CO 0.26 -0.80 1.15 -0.83 0.00 0.00 0.00 175.10 174.88 3i7p s GLY 325 N 0.31 2.05 -0.00 4.51 0.00 -0.13 -1.36 107.32 112.69 3i7p s GLY 325 Ca 0.16 0.49 0.06 0.00 0.00 0.00 0.00 44.72 45.42 3i7p s GLY 325 CO -0.03 2.18 -0.19 -0.45 0.00 0.00 0.00 173.10 174.61 3i7p s SER 326 N 1.44 2.26 -0.14 1.64 0.15 -1.26 0.24 113.70 118.03 3i7p s SER 326 Ca 0.53 -0.38 0.08 0.00 0.70 0.00 0.00 55.95 56.87 3i7p s SER 326 Cb -0.22 -0.24 -0.14 0.00 -1.71 0.00 0.00 66.02 63.72 3i7p s SER 326 CO 0.18 0.21 -0.02 -2.11 1.20 0.00 0.00 173.24 172.70 3i7p n ARG 327 N 2.44 1.39 0.18 5.44 1.85 -1.26 -2.58 116.66 124.11 3i7p n ARG 327 Ca -0.15 0.03 0.14 0.00 -1.00 0.00 0.00 57.85 56.86 3i7p n ARG 327 Cb 0.53 -1.32 0.56 0.00 -1.05 0.00 0.00 32.46 31.18 3i7p n ARG 327 CO 0.00 0.00 0.00 -0.07 -0.01 0.00 0.00 177.63 177.55 3i7p h LEU 328 N 0.00 0.00 0.00 2.89 3.38 -1.95 -3.23 115.31 116.40 3i7p h LEU 328 Ca -0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.62 3i7p h LEU 328 Cb 1.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.45 3i7p h LEU 328 CO -0.01 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.13 3i7p n GLY 329 N -0.01 3.57 3.72 0.83 0.00 -1.26 -2.96 105.19 109.08 3i7p n GLY 329 Ca 0.02 -1.10 -0.42 0.00 0.00 0.00 0.00 46.02 44.51 3i7p n GLY 329 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i7p s ASP 330 N 0.80 6.88 0.47 1.61 1.01 -1.26 -4.56 116.67 121.62 3i7p s ASP 330 Ca 0.00 2.29 -0.21 0.00 0.71 0.00 0.00 52.55 55.34 3i7p s ASP 330 Cb 0.00 -2.59 -0.09 0.00 1.01 0.00 0.00 42.92 41.25 3i7p s ASP 330 CO 0.00 -0.59 1.04 -0.44 0.21 0.00 0.00 175.17 175.39 3i7p s SER 331 N 0.92 6.41 0.11 0.27 0.01 -1.02 -4.68 113.70 115.72 3i7p s SER 331 Ca 0.62 1.95 -0.09 0.00 1.31 0.00 0.00 55.95 59.73 3i7p s SER 331 Cb -0.36 -2.56 -0.00 0.00 0.21 0.00 0.00 66.02 63.31 3i7p s SER 331 CO 0.32 -0.73 0.23 0.00 0.41 0.00 0.00 173.24 173.47 3i7p s GLN 332 N -3.10 0.94 -0.16 12.44 -2.07 -0.47 0.76 119.66 128.00 3i7p s GLN 332 Ca 0.66 -0.99 -0.07 0.00 -1.82 0.00 0.00 55.36 53.14 3i7p s GLN 332 Cb -0.17 0.36 -0.04 0.00 -1.09 0.00 0.00 33.01 32.07 3i7p s GLN 332 CO 0.21 -0.32 0.07 -1.17 -1.32 0.00 0.00 175.29 172.76 3i7p s LEU 333 N -2.88 3.86 0.01 2.60 2.96 0.74 -0.63 118.68 125.35 3i7p s LEU 333 Ca 0.08 0.14 0.02 0.00 -0.22 0.00 0.00 54.13 54.15 3i7p s LEU 333 Cb 0.04 -1.96 -0.01 0.00 0.50 0.00 0.00 46.19 44.76 3i7p s LEU 333 CO -0.08 0.23 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.42 3i7p s VAL 334 N 0.06 0.48 -0.17 1.68 1.01 0.25 -0.31 120.40 123.40 3i7p s VAL 334 Ca 0.06 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.50 3i7p s VAL 334 Cb -0.12 -0.46 0.00 0.00 0.00 0.00 0.00 36.38 35.80 3i7p s VAL 334 CO 0.01 -0.06 -0.15 -0.75 0.00 0.00 0.00 175.10 174.14 3i7p s LYS 335 N -0.66 3.17 0.01 2.72 2.47 0.15 -0.44 119.74 127.17 3i7p s LYS 335 Ca -0.02 -0.76 -0.19 0.00 -1.56 0.00 0.00 55.97 53.44 3i7p s LYS 335 Cb -0.05 -2.64 -0.06 0.00 -1.46 0.00 0.00 37.83 33.62 3i7p s LYS 335 CO 0.00 -0.06 0.55 -0.51 0.16 0.00 0.00 175.35 175.49 3i7p s LEU 336 N 1.00 4.44 0.12 5.43 1.43 0.19 -0.62 118.68 130.67 3i7p s LEU 336 Ca -0.02 1.13 0.06 0.00 -1.03 0.00 0.00 54.13 54.27 3i7p s LEU 336 Cb -0.15 -2.85 -0.04 0.00 0.03 0.00 0.00 46.19 43.19 3i7p s LEU 336 CO -0.03 0.17 -0.15 0.20 0.23 0.00 0.00 176.35 176.76 3i7p s ASN 337 N -0.47 2.09 0.47 2.29 -0.87 -1.05 -4.57 114.94 112.83 3i7p s ASN 337 Ca 0.29 -0.79 0.23 0.00 -1.57 0.00 0.00 52.86 51.02 3i7p s ASN 337 Cb -0.18 -0.08 1.25 0.00 -0.02 0.00 0.00 41.25 42.22 3i7p s ASN 337 CO 0.16 -0.11 1.90 0.58 -2.57 0.00 0.00 177.10 177.06 3i7p h VAL 338 N 3.61 0.66 -1.85 1.60 2.07 -1.99 -3.44 116.25 116.92 3i7p h VAL 338 Ca -0.41 -0.08 -0.53 0.00 0.82 0.00 0.00 66.70 66.50 3i7p h VAL 338 Cb 1.20 0.42 -0.07 0.00 -1.52 0.00 0.00 31.29 31.32 3i7p h VAL 338 CO 0.49 0.04 -0.51 -1.81 0.02 0.00 0.00 177.57 175.79 3i7p s ASP 339 N -5.76 4.80 -0.30 0.57 1.01 -1.26 -5.09 116.67 110.64 3i7p s ASP 339 Ca -0.07 -0.73 -0.03 0.00 0.71 0.00 0.00 52.55 52.43 3i7p s ASP 339 Cb 0.22 -0.76 0.05 0.00 1.01 0.00 0.00 42.92 43.43 3i7p s ASP 339 CO 0.77 -0.33 0.01 -0.94 0.21 0.00 0.00 175.17 174.89 3i7p s SER 340 N -3.89 4.93 1.07 0.27 1.04 -1.26 -4.43 113.70 111.43 3i7p s SER 340 Ca 0.39 -1.21 -0.07 0.00 0.48 0.00 0.00 55.95 55.53 3i7p s SER 340 Cb -0.03 -1.74 0.10 0.00 0.10 0.00 0.00 66.02 64.46 3i7p s SER 340 CO 0.24 -0.26 0.43 -0.46 0.98 0.00 0.00 173.24 174.16 3i7p n ASN 341 N 4.66 -1.01 -3.02 7.02 6.94 -1.22 -4.36 115.26 124.26 3i7p n ASN 341 Ca -0.13 -0.86 -0.42 0.00 -0.02 0.00 0.00 54.58 53.15 3i7p n ASN 341 Cb 0.44 -0.37 -0.06 0.00 -2.36 0.00 0.00 39.78 37.43 3i7p n ASN 341 CO 0.00 0.00 0.00 -1.84 -1.03 0.00 0.00 177.26 174.39 3i7p n GLU 342 N -2.54 0.00 0.00 -3.83 0.00 -1.26 0.95 120.64 113.96 3i7p n GLU 342 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.22 3i7p n GLU 342 Cb 0.21 -0.97 0.00 0.00 0.00 0.00 0.00 31.44 30.68 3i7p n GLU 342 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.13 178.07 3i7p n GLN 343 N 1.99 0.00 -1.17 3.44 7.27 -1.26 -4.35 117.38 123.29 3i7p n GLN 343 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.24 3i7p n GLN 343 Cb -0.00 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.65 3i7p n GLN 343 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3i7p n GLY 344 N -0.59 0.88 3.58 1.69 0.00 0.27 -5.06 105.19 105.96 3i7p n GLY 344 Ca 0.00 -0.60 -0.37 0.00 0.00 0.00 0.00 46.02 45.05 3i7p n GLY 344 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i7p s SER 345 N -2.64 5.77 -0.00 1.61 0.15 -1.22 -4.84 113.70 112.52 3i7p s SER 345 Ca 0.00 -0.02 0.03 0.00 0.70 0.00 0.00 55.95 56.67 3i7p s SER 345 Cb 0.00 -2.05 0.10 0.00 -1.71 0.00 0.00 66.02 62.36 3i7p s SER 345 CO 0.00 0.01 1.05 -1.22 1.20 0.00 0.00 173.24 174.28 3i7p n TYR 346 N 4.64 0.16 -4.33 3.44 4.02 -0.03 -3.45 117.16 121.61 3i7p n TYR 346 Ca -0.15 -0.08 -0.35 0.00 -0.01 0.00 0.00 57.90 57.31 3i7p n TYR 346 Cb 0.52 -0.01 -0.09 0.00 -0.02 0.00 0.00 39.34 39.73 3i7p n TYR 346 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 3i7p s VAL 347 N -1.81 4.38 -0.09 -0.72 1.01 -1.22 -2.54 120.40 119.42 3i7p s VAL 347 Ca 0.07 -0.22 -0.03 0.00 0.00 0.00 0.00 61.98 61.81 3i7p s VAL 347 Cb 0.04 -2.86 0.05 0.00 0.00 0.00 0.00 36.38 33.61 3i7p s VAL 347 CO 0.05 0.59 0.12 -0.69 0.00 0.00 0.00 175.10 175.17 3i7p s VAL 348 N -0.76 -0.20 0.26 2.92 1.01 0.21 -4.93 120.40 118.91 3i7p s VAL 348 Ca 0.12 0.29 -0.30 0.00 0.00 0.00 0.00 61.98 62.09 3i7p s VAL 348 Cb -0.12 -0.30 -0.10 0.00 0.00 0.00 0.00 36.38 35.87 3i7p s VAL 348 CO 0.02 0.09 1.33 0.00 0.00 0.00 0.00 175.10 176.54 3i7p s ALA 349 N 2.24 3.54 -0.19 5.51 0.00 -1.26 0.34 121.76 131.93 3i7p s ALA 349 Ca 0.04 1.20 -0.01 0.00 0.00 0.00 0.00 51.96 53.20 3i7p s ALA 349 Cb -0.13 -3.49 -0.12 0.00 0.00 0.00 0.00 23.12 19.38 3i7p s ALA 349 CO -0.06 -0.60 -0.18 -1.33 0.00 0.00 0.00 175.76 173.59 3i7p n MET 350 N 1.93 0.46 -3.84 0.00 2.81 0.57 -4.86 117.12 114.19 3i7p n MET 350 Ca 0.04 0.12 -0.09 0.00 -1.81 0.00 0.00 57.70 55.96 3i7p n MET 350 Cb 0.42 -1.35 -0.07 0.00 -0.71 0.00 0.00 33.22 31.51 3i7p n MET 350 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 3i7p s GLU 351 N -2.37 0.81 -0.05 0.03 2.12 -0.80 -4.94 118.70 113.50 3i7p s GLU 351 Ca -0.26 -0.85 -0.02 0.00 0.36 0.00 0.00 54.97 54.20 3i7p s GLU 351 Cb 0.07 0.33 0.03 0.00 0.26 0.00 0.00 34.13 34.83 3i7p s GLU 351 CO 0.42 -0.25 0.04 0.99 -0.54 0.00 0.00 175.26 175.91 3i7p s THR 352 N -3.49 0.04 -0.05 -1.70 2.01 -1.26 -0.18 115.64 111.01 3i7p s THR 352 Ca 0.02 0.32 0.03 0.00 0.31 0.00 0.00 61.69 62.38 3i7p s THR 352 Cb 0.03 -0.27 -0.03 0.00 0.01 0.00 0.00 72.50 72.25 3i7p s THR 352 CO -0.09 0.20 -0.12 -0.36 -0.69 0.00 0.00 174.62 173.56 3i7p s PHE 353 N 2.06 2.77 -0.07 4.92 0.40 0.23 -5.00 117.98 123.28 3i7p s PHE 353 Ca 0.04 -0.11 -0.30 0.00 -0.60 0.00 0.00 56.93 55.97 3i7p s PHE 353 Cb -0.12 -1.64 -0.02 0.00 0.51 0.00 0.00 43.02 41.75 3i7p s PHE 353 CO -0.04 0.24 1.06 0.95 0.70 0.00 0.00 175.22 178.13 3i7p s THR 354 N -0.78 4.64 -0.23 0.64 -4.23 -1.26 -2.44 115.64 111.98 3i7p s THR 354 Ca 0.12 1.91 0.02 0.00 -1.18 0.00 0.00 61.69 62.57 3i7p s THR 354 Cb -0.11 -4.23 0.04 0.00 1.34 0.00 0.00 72.50 69.55 3i7p s THR 354 CO 0.01 0.03 -0.14 0.21 -0.54 0.00 0.00 174.62 174.19 3i7p s ASN 355 N 1.17 3.90 0.00 3.99 2.47 -1.26 -4.88 114.94 120.34 3i7p s ASN 355 Ca 0.51 -1.10 0.10 0.00 0.42 0.00 0.00 52.86 52.80 3i7p s ASN 355 Cb -0.21 -1.51 0.55 0.00 -1.45 0.00 0.00 41.25 38.63 3i7p s ASN 355 CO 0.21 -0.12 1.15 0.18 -3.72 0.00 0.00 177.10 174.79 3i7p n LEU 356 N 4.51 0.00 0.00 3.21 4.77 -1.26 -4.47 117.00 123.77 3i7p n LEU 356 Ca -0.17 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 3i7p n LEU 356 Cb 0.45 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 3i7p n LEU 356 CO 0.23 -0.12 0.00 0.61 -1.33 0.00 0.00 177.39 176.78 3i7p n GLY 357 N -0.41 2.14 3.58 -0.72 0.00 -1.26 -2.62 105.19 105.90 3i7p n GLY 357 Ca 0.06 -0.44 -0.41 0.00 0.00 0.00 0.00 46.02 45.23 3i7p n GLY 357 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3i7p s PRO 358 N 0.00 3.15 -0.18 1.61 0.02 -1.22 -1.62 135.00 136.77 3i7p s PRO 358 Ca 0.00 0.80 -0.29 0.00 0.02 0.00 0.00 61.00 61.53 3i7p s PRO 358 Cb 0.00 -4.21 -0.00 0.00 0.02 0.00 0.00 34.50 30.31 3i7p s PRO 358 CO 0.00 -2.10 1.10 0.42 -0.33 0.00 0.00 177.00 176.09 3i7p s ILE 359 N 7.06 4.57 -0.04 2.83 1.01 -0.96 -2.73 121.20 132.94 3i7p s ILE 359 Ca 0.65 1.88 0.00 0.00 0.00 0.00 0.00 60.65 63.18 3i7p s ILE 359 Cb -0.15 -4.21 -0.02 0.00 0.01 0.00 0.00 42.46 38.09 3i7p s ILE 359 CO 0.27 -0.12 -0.04 0.52 0.00 0.00 0.00 174.94 175.57 3i7p n VAL 360 N 5.12 0.22 -4.12 2.92 0.31 -0.71 -4.26 118.33 117.82 3i7p n VAL 360 Ca 0.12 -0.08 -0.09 0.00 -0.01 0.00 0.00 64.34 64.27 3i7p n VAL 360 Cb 0.46 -0.71 -0.10 0.00 -0.91 0.00 0.00 33.84 32.59 3i7p n VAL 360 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3i7p s ASP 361 N -4.46 0.29 0.19 4.52 3.68 -1.25 -4.65 116.67 114.99 3i7p s ASP 361 Ca -0.05 -1.15 -0.23 0.00 2.13 0.00 0.00 52.55 53.25 3i7p s ASP 361 Cb 0.01 0.31 0.06 0.00 -1.45 0.00 0.00 42.92 41.85 3i7p s ASP 361 CO 0.09 -0.74 0.65 0.00 0.13 0.00 0.00 175.17 175.30 3i7p s MET 362 N -4.03 1.42 0.15 4.34 0.23 -1.26 -1.00 119.30 119.16 3i7p s MET 362 Ca 0.22 -0.63 -0.08 0.00 -1.03 0.00 0.00 55.69 54.17 3i7p s MET 362 Cb 0.07 0.59 -0.01 0.00 -1.53 0.00 0.00 34.83 33.95 3i7p s MET 362 CO 0.01 -0.63 0.26 0.00 -2.03 0.00 0.00 175.02 172.62 3i7p s VAL 364 N -3.97 4.58 -0.08 0.00 1.01 -1.26 -0.77 120.40 119.92 3i7p s VAL 364 Ca 0.17 -0.11 -0.05 0.00 0.00 0.00 0.00 61.98 61.98 3i7p s VAL 364 Cb 0.04 -3.03 0.03 0.00 0.00 0.00 0.00 36.38 33.42 3i7p s VAL 364 CO -0.01 0.50 0.18 -0.69 0.00 0.00 0.00 175.10 175.08 3i7p s VAL 365 N 0.10 -0.03 -0.72 2.92 1.01 -0.61 -4.95 120.40 118.12 3i7p s VAL 365 Ca 0.04 0.09 -0.11 0.00 0.00 0.00 0.00 61.98 62.00 3i7p s VAL 365 Cb -0.13 -0.28 0.19 0.00 0.00 0.00 0.00 36.38 36.16 3i7p s VAL 365 CO 0.01 0.04 0.63 1.51 0.00 0.00 0.00 175.10 177.29 3i7p s ASP 366 N 0.71 6.28 0.06 3.32 -4.77 -1.26 -0.49 116.67 120.53 3i7p s ASP 366 Ca -0.05 -2.56 -0.16 0.00 -3.30 0.00 0.00 52.55 46.47 3i7p s ASP 366 Cb -0.07 -2.12 -0.16 0.00 -1.09 0.00 0.00 42.92 39.49 3i7p s ASP 366 CO -0.04 -0.57 1.28 -0.07 0.70 0.00 0.00 175.17 176.47 3i7p h LEU 367 N 7.79 0.70 0.00 2.11 3.38 -1.94 0.19 115.31 127.54 3i7p h LEU 367 Ca 0.01 -0.60 0.00 0.00 0.09 0.00 0.00 57.88 57.37 3i7p h LEU 367 Cb 1.03 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.58 3i7p h LEU 367 CO 0.78 1.18 -0.11 -0.62 0.09 0.00 0.00 178.44 179.76 3i7p n GLU 368 N -4.19 0.05 -2.06 1.13 4.71 -1.26 -4.94 120.64 114.08 3i7p n GLU 368 Ca -0.07 0.03 -0.03 0.00 -0.01 0.00 0.00 57.16 57.08 3i7p n GLU 368 Cb 0.60 -1.55 0.02 0.00 -1.01 0.00 0.00 31.44 29.49 3i7p n GLU 368 CO 0.00 0.00 0.00 -2.13 0.09 0.00 0.00 177.13 175.09 3i7p n ARG 369 N -1.62 -0.85 0.00 3.49 0.63 0.68 -5.04 116.66 113.95 3i7p n ARG 369 Ca 0.06 0.16 0.00 0.00 -0.92 0.00 0.00 57.85 57.16 3i7p n ARG 369 Cb 0.35 -2.74 0.00 0.00 0.45 0.00 0.00 32.46 30.53 3i7p n ARG 369 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 3i7p n GLN 370 N -1.71 0.00 0.00 -0.14 6.02 -1.26 -5.04 117.38 115.25 3i7p n GLN 370 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.96 3i7p n GLN 370 Cb 0.53 -0.42 0.00 0.00 1.02 0.00 0.00 30.24 31.36 3i7p n GLN 370 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3i7p n GLY 371 N 1.74 0.13 3.83 1.08 0.00 -1.26 -5.01 105.19 105.71 3i7p n GLY 371 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 3i7p n GLY 371 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3i7p s GLN 372 N 0.00 3.98 0.22 1.61 1.03 -1.24 -4.48 119.66 120.78 3i7p s GLN 372 Ca 0.00 0.49 -0.25 0.00 0.04 0.00 0.00 55.36 55.64 3i7p s GLN 372 Cb 0.00 -3.20 -0.09 0.00 0.03 0.00 0.00 33.01 29.75 3i7p s GLN 372 CO 0.00 0.66 0.82 0.20 -2.54 0.00 0.00 175.29 174.43 3i7p s GLY 373 N -1.15 2.85 0.44 2.60 0.00 -1.14 -4.19 107.32 106.73 3i7p s GLY 373 Ca 0.26 0.38 0.08 0.00 0.00 0.00 0.00 44.72 45.44 3i7p s GLY 373 CO 0.15 0.85 0.53 1.20 0.00 0.00 0.00 173.10 175.83 3i7p s GLN 374 N -1.52 2.68 0.00 2.90 -1.52 0.36 -4.58 119.66 117.99 3i7p s GLN 374 Ca 0.41 -1.38 0.02 0.00 -1.95 0.00 0.00 55.36 52.45 3i7p s GLN 374 Cb -0.21 -2.62 -0.01 0.00 -0.22 0.00 0.00 33.01 29.95 3i7p s GLN 374 CO 0.25 -0.31 -0.06 -1.17 -0.25 0.00 0.00 175.29 173.76 3i7p s LEU 375 N -4.31 2.05 -0.15 2.90 2.96 0.35 -1.58 118.68 120.90 3i7p s LEU 375 Ca 0.53 -0.17 -0.01 0.00 -0.22 0.00 0.00 54.13 54.26 3i7p s LEU 375 Cb -0.07 -0.27 0.04 0.00 0.50 0.00 0.00 46.19 46.38 3i7p s LEU 375 CO 0.32 0.03 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.63 3i7p s VAL 376 N -0.33 1.06 -0.02 1.68 1.01 0.05 0.55 120.40 124.41 3i7p s VAL 376 Ca 0.00 -0.51 0.08 0.00 0.00 0.00 0.00 61.98 61.55 3i7p s VAL 376 Cb -0.03 -1.20 -0.02 0.00 0.00 0.00 0.00 36.38 35.13 3i7p s VAL 376 CO -0.00 0.19 -0.26 0.42 0.00 0.00 0.00 175.10 175.46 3i7p s THR 377 N 1.67 2.02 -0.07 3.92 -4.23 -0.04 -1.05 115.64 117.85 3i7p s THR 377 Ca 0.02 -1.11 -0.27 0.00 -1.18 0.00 0.00 61.69 59.16 3i7p s THR 377 Cb -0.14 -1.68 -0.03 0.00 1.34 0.00 0.00 72.50 71.99 3i7p s THR 377 CO -0.08 0.56 0.86 0.00 -0.54 0.00 0.00 174.62 175.42 3i7p s SER 379 N 0.99 0.94 0.11 0.00 0.01 0.23 -1.74 113.70 114.24 3i7p s SER 379 Ca 0.44 -0.86 0.00 0.00 1.31 0.00 0.00 55.95 56.84 3i7p s SER 379 Cb -0.19 0.09 0.00 0.00 0.21 0.00 0.00 66.02 66.14 3i7p s SER 379 CO 0.20 -0.40 0.00 0.61 0.41 0.00 0.00 173.24 174.05 3i7p n GLY 380 N 0.46 -2.11 3.20 3.44 0.00 -1.10 -0.26 105.19 108.82 3i7p n GLY 380 Ca -0.16 -1.43 -0.11 0.00 0.00 0.00 0.00 46.02 44.32 3i7p n GLY 380 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i7p s ALA 381 N -1.25 -0.48 0.00 4.61 0.00 -1.16 -4.58 121.76 118.91 3i7p s ALA 381 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 51.96 51.83 3i7p s ALA 381 Cb 0.00 0.25 0.00 0.00 0.00 0.00 0.00 23.12 23.37 3i7p s ALA 381 CO 0.00 -0.35 0.00 1.19 0.00 0.00 0.00 175.76 176.60 3i7p n PHE 382 N 0.80 0.00 0.27 0.00 3.01 -1.26 -2.41 117.46 117.87 3i7p n PHE 382 Ca -0.19 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.39 3i7p n PHE 382 Cb 0.58 0.02 0.76 0.00 -0.01 0.00 0.00 39.48 40.83 3i7p n PHE 382 CO 0.00 0.00 0.00 1.57 1.01 0.00 0.00 176.76 179.34 3i7p h LYS 383 N 0.00 0.00 0.00 -1.08 2.10 -1.83 0.28 116.57 116.04 3i7p h LYS 383 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3i7p h LYS 383 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 3i7p h LYS 383 CO 0.00 0.07 0.00 0.39 -2.00 0.00 0.00 179.45 177.91 3i7p n GLU 384 N -3.90 0.14 -1.26 0.07 -0.58 -1.01 -3.37 120.64 110.72 3i7p n GLU 384 Ca -0.02 0.33 -0.37 0.00 -0.42 0.00 0.00 57.16 56.68 3i7p n GLU 384 Cb 0.17 -1.74 0.06 0.00 -0.57 0.00 0.00 31.44 29.35 3i7p n GLU 384 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3i7p n GLY 385 N 0.23 -1.96 3.61 0.62 0.00 0.98 -4.52 105.19 104.15 3i7p n GLY 385 Ca 0.03 -0.36 0.01 0.00 0.00 0.00 0.00 46.02 45.70 3i7p n GLY 385 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i7p s SER 386 N -1.34 -0.06 0.03 1.61 1.04 0.64 -1.72 113.70 113.90 3i7p s SER 386 Ca 0.63 -0.10 0.03 0.00 0.48 0.00 0.00 55.95 56.99 3i7p s SER 386 Cb -0.37 0.14 -0.04 0.00 0.10 0.00 0.00 66.02 65.85 3i7p s SER 386 CO 0.60 -0.25 -0.01 -0.76 0.98 0.00 0.00 173.24 173.80 3i7p s LEU 387 N -2.81 3.44 -0.08 2.42 1.43 -0.52 -0.60 118.68 121.96 3i7p s LEU 387 Ca 0.13 -0.09 0.02 0.00 -1.03 0.00 0.00 54.13 53.17 3i7p s LEU 387 Cb 0.04 -2.04 0.01 0.00 0.03 0.00 0.00 46.19 44.23 3i7p s LEU 387 CO -0.04 0.25 -0.13 -0.13 0.23 0.00 0.00 176.35 176.52 3i7p s ARG 388 N -1.79 1.89 -0.26 1.70 1.81 -0.81 0.30 118.95 121.79 3i7p s ARG 388 Ca 0.21 -0.47 -0.08 0.00 -1.72 0.00 0.00 55.73 53.67 3i7p s ARG 388 Cb -0.11 -1.56 -0.03 0.00 -0.45 0.00 0.00 34.95 32.79 3i7p s ARG 388 CO 0.12 0.01 0.10 0.42 -0.68 0.00 0.00 175.30 175.28 3i7p s ILE 389 N 0.74 4.55 -0.19 1.52 1.09 0.81 -0.86 121.20 128.86 3i7p s ILE 389 Ca -0.13 -0.10 -0.02 0.00 -1.10 0.00 0.00 60.65 59.30 3i7p s ILE 389 Cb -0.16 -3.14 -0.01 0.00 -1.06 0.00 0.00 42.46 38.09 3i7p s ILE 389 CO 0.03 0.31 -0.09 -0.63 -0.10 0.00 0.00 174.94 174.46 3i7p s ILE 390 N 1.65 3.09 -0.07 2.92 -1.09 0.19 0.19 121.20 128.08 3i7p s ILE 390 Ca 0.06 -0.61 0.01 0.00 -2.23 0.00 0.00 60.65 57.89 3i7p s ILE 390 Cb -0.15 -2.36 0.02 0.00 -1.58 0.00 0.00 42.46 38.39 3i7p s ILE 390 CO 0.05 0.47 -0.07 -0.60 -1.23 0.00 0.00 174.94 173.56 3i7p s ARG 391 N 1.10 1.25 0.49 2.79 3.00 0.14 -0.50 118.95 127.22 3i7p s ARG 391 Ca 0.01 -0.22 -0.22 0.00 -1.00 0.00 0.00 55.73 54.29 3i7p s ARG 391 Cb -0.15 -1.20 -0.07 0.00 0.00 0.00 0.00 34.95 33.54 3i7p s ARG 391 CO -0.02 -0.10 1.17 1.21 0.00 0.00 0.00 175.30 177.56 3i7p s ASN 392 N 1.07 6.01 0.00 -2.12 2.47 -1.26 0.38 114.94 121.49 3i7p s ASN 392 Ca -0.08 2.30 0.00 0.00 0.42 0.00 0.00 52.86 55.50 3i7p s ASN 392 Cb -0.14 -2.60 0.00 0.00 -1.45 0.00 0.00 41.25 37.06 3i7p s ASN 392 CO -0.01 -1.03 0.00 0.61 -3.72 0.00 0.00 177.10 172.95 3i7p n GLY 393 N 0.40 -1.17 3.11 1.21 0.00 0.44 -4.80 105.19 104.38 3i7p n GLY 393 Ca 0.09 -1.61 -0.33 0.00 0.00 0.00 0.00 46.02 44.16 3i7p n GLY 393 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i7p s ILE 394 N -1.44 2.31 0.41 -0.61 1.01 0.42 -4.25 121.20 119.06 3i7p s ILE 394 Ca 0.00 -1.34 0.08 0.00 0.00 0.00 0.00 60.65 59.39 3i7p s ILE 394 Cb 0.00 -2.23 -0.00 0.00 0.01 0.00 0.00 42.46 40.24 3i7p s ILE 394 CO 0.00 0.15 0.50 -0.83 0.00 0.00 0.00 174.94 174.76 3i7p s GLY 395 N 1.20 1.97 0.02 6.18 0.00 -1.26 0.95 107.32 116.38 3i7p s GLY 395 Ca -0.04 -1.72 0.01 0.00 0.00 0.00 0.00 44.72 42.97 3i7p s GLY 395 CO -0.07 -1.54 -0.04 -0.26 0.00 0.00 0.00 173.10 171.19 3i7p s ILE 396 N -2.37 0.22 -0.36 0.90 -0.00 -1.26 -3.07 121.20 115.26 3i7p s ILE 396 Ca 0.52 -0.89 -0.22 0.00 -0.00 0.00 0.00 60.65 60.06 3i7p s ILE 396 Cb -0.08 -0.34 0.01 0.00 -0.00 0.00 0.00 42.46 42.05 3i7p s ILE 396 CO 0.31 -0.43 0.74 -1.00 -0.00 0.00 0.00 174.94 174.56 3i7p s HIS 397 N -1.33 3.13 -0.79 1.37 3.76 -1.16 -4.99 115.29 115.27 3i7p s HIS 397 Ca -0.13 0.49 -0.23 0.00 -0.15 0.00 0.00 55.06 55.04 3i7p s HIS 397 Cb -0.09 -3.31 0.07 0.00 1.11 0.00 0.00 32.58 30.35 3i7p s HIS 397 CO -0.01 -0.70 1.15 -1.83 -0.85 0.00 0.00 174.74 172.50 3i7p s GLU 398 N 2.97 3.31 -0.05 1.40 -1.05 -1.26 -3.74 118.70 120.28 3i7p s GLU 398 Ca 0.29 -0.95 -0.10 0.00 -0.15 0.00 0.00 54.97 54.06 3i7p s GLU 398 Cb -0.14 -4.55 -0.05 0.00 -0.44 0.00 0.00 34.13 28.95 3i7p s GLU 398 CO 0.16 -1.94 0.41 0.45 0.95 0.00 0.00 175.26 175.29 3i7p h HIS 399 N 9.55 -0.32 -5.21 4.83 3.86 -1.63 -3.48 115.15 122.75 3i7p h HIS 399 Ca -0.11 -0.01 -0.37 0.00 -1.16 0.00 0.00 60.37 58.72 3i7p h HIS 399 Cb 1.05 0.11 -0.03 0.00 1.06 0.00 0.00 27.41 29.59 3i7p h HIS 399 CO 1.10 -0.20 -0.18 0.00 0.86 0.00 0.00 177.93 179.51 3i7p n ALA 400 N -2.72 0.55 -3.16 2.45 0.00 -1.26 -5.02 120.51 111.35 3i7p n ALA 400 Ca -0.04 -1.43 0.02 0.00 0.00 0.00 0.00 53.44 51.99 3i7p n ALA 400 Cb 0.14 0.59 -0.00 0.00 0.00 0.00 0.00 19.45 20.17 3i7p n ALA 400 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3i7p s SER 401 N -3.09 -1.49 -0.34 0.00 0.15 -1.25 -4.56 113.70 103.12 3i7p s SER 401 Ca 0.20 -0.32 0.01 0.00 0.70 0.00 0.00 55.95 56.54 3i7p s SER 401 Cb -0.02 1.90 0.09 0.00 -1.71 0.00 0.00 66.02 66.29 3i7p s SER 401 CO 0.13 -0.21 0.06 -0.63 1.20 0.00 0.00 173.24 173.79 3i7p s ILE 402 N 2.31 2.71 -0.42 6.45 1.09 -1.13 -4.91 121.20 127.29 3i7p s ILE 402 Ca 0.14 -1.97 -0.28 0.00 -1.10 0.00 0.00 60.65 57.44 3i7p s ILE 402 Cb -0.06 -2.81 -0.02 0.00 -1.06 0.00 0.00 42.46 38.51 3i7p s ILE 402 CO -0.16 -0.45 1.79 -1.81 -0.10 0.00 0.00 174.94 174.21 3i7p s ASP 403 N 1.28 5.74 -0.46 3.58 1.01 -1.26 -0.84 116.67 125.71 3i7p s ASP 403 Ca 0.04 0.99 0.03 0.00 0.71 0.00 0.00 52.55 54.32 3i7p s ASP 403 Cb -0.20 -2.53 0.14 0.00 1.01 0.00 0.00 42.92 41.34 3i7p s ASP 403 CO -0.05 -1.89 0.27 -0.76 0.21 0.00 0.00 175.17 172.95 3i7p s LEU 404 N 7.45 2.88 -0.65 1.23 1.43 -1.26 -4.79 118.68 124.96 3i7p s LEU 404 Ca 0.75 -2.78 -0.26 0.00 -1.03 0.00 0.00 54.13 50.81 3i7p s LEU 404 Cb -0.19 -1.08 -0.24 0.00 0.03 0.00 0.00 46.19 44.71 3i7p s LEU 404 CO 0.30 -0.24 1.86 -2.65 0.23 0.00 0.00 176.35 175.84 3i7p n PRO 405 N 3.34 0.70 0.00 1.29 -0.02 -1.26 -3.58 135.00 135.47 3i7p n PRO 405 Ca 0.11 -1.64 0.00 0.00 -2.02 0.00 0.00 63.50 59.95 3i7p n PRO 405 Cb 0.35 -3.15 0.00 0.00 -0.02 0.00 0.00 33.50 30.68 3i7p n PRO 405 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i7p n GLY 406 N 5.28 -2.24 0.00 -1.23 0.00 -1.26 -4.94 105.19 100.80 3i7p n GLY 406 Ca 0.46 0.72 0.00 0.00 0.00 0.00 0.00 46.02 47.20 3i7p n GLY 406 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3i7p n ILE 407 N 0.00 0.00 -0.88 -0.61 5.41 -1.23 -4.66 119.36 117.39 3i7p n ILE 407 Ca 0.00 0.00 0.08 0.00 1.00 0.00 0.00 62.75 63.83 3i7p n ILE 407 Cb 0.00 0.00 0.28 0.00 -0.71 0.00 0.00 39.64 39.21 3i7p n ILE 407 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 3i7p n LYS 408 N 0.03 3.29 0.00 0.38 4.76 0.18 -4.88 118.16 121.92 3i7p n LYS 408 Ca 0.00 -2.82 0.00 0.00 -2.87 0.00 0.00 58.31 52.62 3i7p n LYS 408 Cb 0.00 -1.86 0.00 0.00 -1.84 0.00 0.00 35.03 31.33 3i7p n LYS 408 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3i7p n GLY 409 N -0.13 1.00 3.61 0.72 0.00 -1.16 -4.77 105.19 104.45 3i7p n GLY 409 Ca 0.22 -0.87 -0.13 0.00 0.00 0.00 0.00 46.02 45.24 3i7p n GLY 409 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3i7p s LEU 410 N 0.00 -0.59 0.09 0.99 0.05 -1.26 -2.93 118.68 115.03 3i7p s LEU 410 Ca 0.00 1.01 0.03 0.00 0.05 0.00 0.00 54.13 55.22 3i7p s LEU 410 Cb 0.00 2.20 -0.04 0.00 -2.05 0.00 0.00 46.19 46.31 3i7p s LEU 410 CO 0.00 -0.28 -0.09 0.26 -0.55 0.00 0.00 176.35 175.69 3i7p s TRP 411 N -0.09 0.97 1.17 3.48 0.51 -1.22 -4.71 118.94 119.04 3i7p s TRP 411 Ca -0.01 -0.73 -0.20 0.00 -2.12 0.00 0.00 56.10 53.04 3i7p s TRP 411 Cb -0.04 -0.54 0.29 0.00 -0.81 0.00 0.00 33.47 32.37 3i7p s TRP 411 CO -0.00 -0.06 1.06 -2.30 -0.51 0.00 0.00 176.95 175.14 3i7p n PRO 412 N 0.40 -2.97 0.00 4.98 -0.02 -1.26 -3.68 135.00 132.45 3i7p n PRO 412 Ca -0.15 -1.69 0.00 0.00 -2.02 0.00 0.00 63.50 59.64 3i7p n PRO 412 Cb 0.59 -1.56 0.00 0.00 -0.02 0.00 0.00 33.50 32.51 3i7p n PRO 412 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3i7p n LEU 413 N 0.00 0.00 -4.64 2.45 7.94 -1.10 -4.75 117.00 116.91 3i7p n LEU 413 Ca 0.15 0.00 -0.43 0.00 -1.11 0.00 0.00 56.01 54.62 3i7p n LEU 413 Cb 0.56 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.49 3i7p n LEU 413 CO 0.39 0.00 1.56 0.00 -1.11 0.00 0.00 177.39 178.23 3i7p s ARG 414 N 0.00 3.79 0.00 1.96 1.70 -1.26 -2.69 118.95 122.45 3i7p s ARG 414 Ca 0.00 2.11 0.25 0.00 -0.47 0.00 0.00 55.73 57.62 3i7p s ARG 414 Cb 0.00 -4.15 1.35 0.00 -0.57 0.00 0.00 34.95 31.58 3i7p s ARG 414 CO 0.00 -1.33 1.89 0.45 -1.08 0.00 0.00 175.30 175.23 3i7p n SER 415 N 8.79 0.47 -3.99 -2.89 2.88 -1.26 -4.66 113.62 112.95 3i7p n SER 415 Ca 0.22 -1.31 -0.27 0.00 -1.33 0.00 0.00 58.87 56.17 3i7p n SER 415 Cb 0.44 -0.01 -0.17 0.00 -0.75 0.00 0.00 64.21 63.71 3i7p n SER 415 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3i7p s ASP 416 N -1.81 2.23 0.25 -3.46 3.68 -1.26 -5.04 116.67 111.26 3i7p s ASP 416 Ca 0.38 -0.36 0.10 0.00 2.13 0.00 0.00 52.55 54.79 3i7p s ASP 416 Cb 0.18 -0.96 0.53 0.00 -1.45 0.00 0.00 42.92 41.23 3i7p s ASP 416 CO 0.30 -0.03 1.17 -2.65 0.13 0.00 0.00 175.17 174.08 3i7p n PRO 417 N 4.43 0.07 -0.01 4.34 -0.02 -1.26 -3.86 135.00 138.69 3i7p n PRO 417 Ca -0.18 0.50 -0.01 0.00 -2.02 0.00 0.00 63.50 61.80 3i7p n PRO 417 Cb 0.51 -2.02 -0.00 0.00 -0.02 0.00 0.00 33.50 31.97 3i7p n PRO 417 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 3i7p n ASN 418 N -1.87 0.13 -4.61 2.55 6.94 -1.26 -5.04 115.26 112.10 3i7p n ASN 418 Ca -0.01 0.02 -0.42 0.00 -0.02 0.00 0.00 54.58 54.16 3i7p n ASN 418 Cb 0.31 -0.47 0.01 0.00 -2.36 0.00 0.00 39.78 37.27 3i7p n ASN 418 CO 0.00 0.00 0.00 -2.11 -1.03 0.00 0.00 177.26 174.12 3i7p n ARG 419 N -2.64 1.39 0.24 -3.83 1.85 -1.25 -4.85 116.66 107.57 3i7p n ARG 419 Ca -0.01 0.50 0.17 0.00 -1.00 0.00 0.00 57.85 57.50 3i7p n ARG 419 Cb 0.03 -2.04 0.82 0.00 -1.05 0.00 0.00 32.46 30.22 3i7p n ARG 419 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 3i7p h GLU 420 N 1.62 0.00 -6.54 2.89 4.39 -1.94 -3.43 114.58 111.57 3i7p h GLU 420 Ca -0.44 0.00 -0.52 0.00 0.34 0.00 0.00 59.36 58.73 3i7p h GLU 420 Cb 1.34 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.97 3i7p h GLU 420 CO 0.57 0.00 0.40 0.95 -1.16 0.00 0.00 179.01 179.77 3i7p s THR 421 N -3.74 4.44 -0.12 1.13 -4.23 -1.26 -4.87 115.64 106.99 3i7p s THR 421 Ca -0.01 1.94 -0.04 0.00 -1.18 0.00 0.00 61.69 62.40 3i7p s THR 421 Cb 0.10 -4.24 -0.04 0.00 1.34 0.00 0.00 72.50 69.66 3i7p s THR 421 CO 0.38 0.26 0.04 -0.31 -0.54 0.00 0.00 174.62 174.45 3i7p s TYR 422 N 0.28 3.25 -0.25 3.99 1.51 -1.26 -4.44 117.35 120.43 3i7p s TYR 422 Ca 0.50 0.19 0.15 0.00 -1.01 0.00 0.00 57.07 56.90 3i7p s TYR 422 Cb -0.24 -1.89 0.41 0.00 -0.11 0.00 0.00 41.96 40.13 3i7p s TYR 422 CO 0.30 0.41 1.31 -0.40 -1.11 0.00 0.00 175.55 176.06 3i7p n ASP 423 N 2.53 3.28 -3.94 2.29 3.85 -1.12 -3.80 116.55 119.63 3i7p n ASP 423 Ca -0.18 -2.85 -0.10 0.00 -0.71 0.00 0.00 54.79 50.95 3i7p n ASP 423 Cb 0.53 -0.44 -0.11 0.00 -1.35 0.00 0.00 41.12 39.76 3i7p n ASP 423 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.20 175.30 3i7p s THR 424 N -2.50 0.10 -0.37 2.12 2.01 -1.09 0.50 115.64 116.42 3i7p s THR 424 Ca 0.35 -0.86 0.00 0.00 0.31 0.00 0.00 61.69 61.49 3i7p s THR 424 Cb 0.28 -0.37 0.13 0.00 0.01 0.00 0.00 72.50 72.55 3i7p s THR 424 CO 0.08 -0.47 0.20 -0.22 -0.69 0.00 0.00 174.62 173.52 3i7p s LEU 425 N -1.49 1.51 -0.25 4.42 2.96 -1.14 -2.72 118.68 121.97 3i7p s LEU 425 Ca -0.15 -2.20 -0.29 0.00 -0.22 0.00 0.00 54.13 51.28 3i7p s LEU 425 Cb -0.09 -0.60 -0.01 0.00 0.50 0.00 0.00 46.19 45.99 3i7p s LEU 425 CO -0.00 -0.32 1.39 -0.69 -1.32 0.00 0.00 176.35 175.41 3i7p s VAL 426 N 0.99 4.03 -0.26 1.68 1.01 -1.24 -3.72 120.40 122.89 3i7p s VAL 426 Ca 0.17 1.18 -0.06 0.00 0.00 0.00 0.00 61.98 63.26 3i7p s VAL 426 Cb -0.22 -4.00 -0.01 0.00 0.00 0.00 0.00 36.38 32.15 3i7p s VAL 426 CO -0.04 -0.37 0.04 -1.48 0.00 0.00 0.00 175.10 173.25 3i7p s LEU 427 N 4.46 3.40 0.55 3.92 0.05 -1.13 -3.43 118.68 126.51 3i7p s LEU 427 Ca 0.60 -0.45 -0.20 0.00 0.05 0.00 0.00 54.13 54.13 3i7p s LEU 427 Cb -0.20 -1.85 -0.06 0.00 -2.05 0.00 0.00 46.19 42.03 3i7p s LEU 427 CO 0.24 -0.09 1.04 -0.24 -0.55 0.00 0.00 176.35 176.75 3i7p n SER 428 N 4.86 1.20 -3.45 1.48 2.88 -1.15 -4.02 113.62 115.42 3i7p n SER 428 Ca -0.16 0.89 -0.14 0.00 -1.33 0.00 0.00 58.87 58.12 3i7p n SER 428 Cb 0.50 -1.41 -0.05 0.00 -0.75 0.00 0.00 64.21 62.50 3i7p n SER 428 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 3i7p s PHE 429 N -1.43 1.03 0.00 0.66 2.19 -1.14 0.51 117.98 119.81 3i7p s PHE 429 Ca 0.72 -1.25 0.00 0.00 0.33 0.00 0.00 56.93 56.73 3i7p s PHE 429 Cb -0.45 -0.14 0.00 0.00 -1.31 0.00 0.00 43.02 41.12 3i7p s PHE 429 CO 0.50 -1.05 0.53 0.28 1.83 0.00 0.00 175.22 177.31 3i7p n VAL 430 N -0.52 0.00 -0.58 3.12 0.31 -1.26 -3.19 118.33 116.21 3i7p n VAL 430 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 3i7p n VAL 430 Cb 0.62 -1.14 0.00 0.00 -0.91 0.00 0.00 33.84 32.41 3i7p n VAL 430 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3i7p n GLY 431 N 3.03 0.65 0.00 2.92 0.00 -1.26 -5.08 105.19 105.45 3i7p n GLY 431 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.46 3i7p n GLY 431 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3i7p n GLN 432 N -2.58 0.17 -3.34 1.61 6.02 -1.19 -3.72 117.38 114.35 3i7p n GLN 432 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 56.90 3i7p n GLN 432 Cb 0.00 0.00 -0.07 0.00 1.02 0.00 0.00 30.24 31.19 3i7p n GLN 432 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3i7p s THR 433 N -1.87 -0.62 0.07 5.09 2.01 -1.25 -2.88 115.64 116.18 3i7p s THR 433 Ca 0.00 -0.09 -0.12 0.00 0.31 0.00 0.00 61.69 61.79 3i7p s THR 433 Cb 0.00 -0.84 -0.06 0.00 0.01 0.00 0.00 72.50 71.61 3i7p s THR 433 CO 0.00 -0.13 0.43 -0.13 -0.69 0.00 0.00 174.62 174.09 3i7p s ARG 434 N 2.56 3.84 0.27 4.92 1.81 -1.26 -4.19 118.95 126.91 3i7p s ARG 434 Ca 0.13 0.30 0.04 0.00 -1.72 0.00 0.00 55.73 54.48 3i7p s ARG 434 Cb -0.15 -3.05 -0.03 0.00 -0.45 0.00 0.00 34.95 31.27 3i7p s ARG 434 CO -0.17 0.59 0.41 0.08 -0.68 0.00 0.00 175.30 175.52 3i7p s VAL 435 N -1.32 5.04 -0.47 3.52 1.01 -1.26 -2.82 120.40 124.11 3i7p s VAL 435 Ca 0.31 -0.90 0.06 0.00 0.00 0.00 0.00 61.98 61.45 3i7p s VAL 435 Cb -0.15 -3.79 0.21 0.00 0.00 0.00 0.00 36.38 32.65 3i7p s VAL 435 CO 0.17 -0.34 0.47 0.18 0.00 0.00 0.00 175.10 175.58 3i7p n LEU 436 N -1.52 0.71 -4.77 3.92 4.77 -1.24 -3.86 117.00 115.00 3i7p n LEU 436 Ca -0.07 -4.72 -0.41 0.00 -0.03 0.00 0.00 56.01 50.78 3i7p n LEU 436 Cb 0.57 0.26 -0.01 0.00 -2.33 0.00 0.00 43.42 41.91 3i7p n LEU 436 CO 0.45 1.94 1.11 -0.04 -1.33 0.00 0.00 177.39 179.51 3i7p s MET 437 N -0.85 4.17 -0.10 3.23 -1.94 0.89 -2.87 119.30 121.82 3i7p s MET 437 Ca 0.33 2.48 0.04 0.00 -1.71 0.00 0.00 55.69 56.83 3i7p s MET 437 Cb 0.08 -3.00 -0.00 0.00 2.01 0.00 0.00 34.83 33.92 3i7p s MET 437 CO -0.14 -0.45 -0.23 -0.51 -0.01 0.00 0.00 175.02 173.67 3i7p s LEU 438 N -1.86 2.14 0.00 -0.03 1.43 0.18 -1.74 118.68 118.81 3i7p s LEU 438 Ca 0.53 -0.54 0.03 0.00 -1.03 0.00 0.00 54.13 53.11 3i7p s LEU 438 Cb -0.45 -1.43 0.16 0.00 0.03 0.00 0.00 46.19 44.50 3i7p s LEU 438 CO 0.59 0.16 0.75 -3.20 0.23 0.00 0.00 176.35 174.88 3i7p n ASN 439 N 3.51 0.00 0.00 2.29 4.05 -0.60 -4.88 115.26 119.63 3i7p n ASN 439 Ca -0.19 -1.17 0.00 0.00 0.45 0.00 0.00 54.58 53.67 3i7p n ASN 439 Cb 0.53 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.54 3i7p n ASN 439 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3i7p n GLY 440 N 0.14 1.69 0.90 8.20 0.00 -1.26 -4.62 105.19 110.24 3i7p n GLY 440 Ca 0.02 -0.54 0.07 0.00 0.00 0.00 0.00 46.02 45.57 3i7p n GLY 440 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3i7p n GLU 441 N 0.00 3.00 -4.78 1.61 -0.00 -1.26 -4.26 120.64 114.97 3i7p n GLU 441 Ca 0.00 -2.40 -0.33 0.00 -0.00 0.00 0.00 57.16 54.43 3i7p n GLU 441 Cb 0.00 -1.51 -0.14 0.00 -0.00 0.00 0.00 31.44 29.79 3i7p n GLU 441 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.13 175.13 3i7p s GLU 442 N -1.49 3.16 0.06 3.44 2.12 -1.26 -5.07 118.70 119.67 3i7p s GLU 442 Ca 0.34 -0.67 -0.26 0.00 0.36 0.00 0.00 54.97 54.74 3i7p s GLU 442 Cb 0.21 -2.59 -0.06 0.00 0.26 0.00 0.00 34.13 31.96 3i7p s GLU 442 CO 0.18 0.34 0.80 0.08 -0.54 0.00 0.00 175.26 176.11 3i7p s VAL 443 N 0.03 4.67 -0.23 3.70 1.01 -1.26 -1.56 120.40 126.76 3i7p s VAL 443 Ca -0.04 1.71 -0.12 0.00 0.00 0.00 0.00 61.98 63.53 3i7p s VAL 443 Cb -0.14 -4.15 0.08 0.00 0.00 0.00 0.00 36.38 32.16 3i7p s VAL 443 CO 0.04 0.37 0.55 -0.70 0.00 0.00 0.00 175.10 175.36 3i7p s GLU 444 N -0.11 0.54 -0.45 2.72 2.12 -0.71 -4.93 118.70 117.88 3i7p s GLU 444 Ca 0.40 1.06 -0.12 0.00 0.36 0.00 0.00 54.97 56.66 3i7p s GLU 444 Cb -0.21 0.15 0.08 0.00 0.26 0.00 0.00 34.13 34.41 3i7p s GLU 444 CO 0.24 -0.17 0.33 -1.83 -0.54 0.00 0.00 175.26 173.30 3i7p s GLU 445 N 1.73 2.78 0.49 4.30 -1.05 -1.26 -0.08 118.70 125.62 3i7p s GLU 445 Ca -0.09 -1.42 0.03 0.00 -0.15 0.00 0.00 54.97 53.34 3i7p s GLU 445 Cb -0.08 -3.96 -0.02 0.00 -0.44 0.00 0.00 34.13 29.64 3i7p s GLU 445 CO -0.16 -1.00 0.06 0.95 0.95 0.00 0.00 175.26 176.06 3i7p s THR 446 N 1.53 1.45 1.33 1.83 -4.23 -1.25 -4.95 115.64 111.35 3i7p s THR 446 Ca 0.04 -1.92 -0.22 0.00 -1.18 0.00 0.00 61.69 58.41 3i7p s THR 446 Cb -0.24 -2.37 0.34 0.00 1.34 0.00 0.00 72.50 71.57 3i7p s THR 446 CO 0.04 0.00 1.01 -1.83 -0.54 0.00 0.00 174.62 173.30 3i7p s GLU 447 N -3.90 -2.25 -0.28 3.99 -1.05 -1.26 -4.05 118.70 109.89 3i7p s GLU 447 Ca 0.17 0.00 -0.22 0.00 -0.15 0.00 0.00 54.97 54.78 3i7p s GLU 447 Cb 0.03 -1.47 0.11 0.00 -0.44 0.00 0.00 34.13 32.36 3i7p s GLU 447 CO 0.09 -4.40 0.91 -1.17 0.95 0.00 0.00 175.26 171.64 3i7p s LEU 448 N -7.46 -0.59 0.54 1.83 2.96 -1.26 -4.96 118.68 109.73 3i7p s LEU 448 Ca 0.70 1.06 -0.21 0.00 -0.22 0.00 0.00 54.13 55.46 3i7p s LEU 448 Cb -0.11 2.03 -0.06 0.00 0.50 0.00 0.00 46.19 48.55 3i7p s LEU 448 CO 0.57 -0.18 1.16 0.23 -1.32 0.00 0.00 176.35 176.81 3i7p n MET 449 N 2.97 1.37 -1.11 1.98 2.81 -1.26 -2.64 117.12 121.24 3i7p n MET 449 Ca -0.15 0.51 -0.08 0.00 -1.81 0.00 0.00 57.70 56.16 3i7p n MET 449 Cb 0.57 -2.33 -0.03 0.00 -0.71 0.00 0.00 33.22 30.71 3i7p n MET 449 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3i7p n GLY 450 N 1.02 0.77 3.06 3.03 0.00 -1.26 -4.79 105.19 107.02 3i7p n GLY 450 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 3i7p n GLY 450 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i7p s PHE 451 N -1.56 2.17 0.60 1.61 0.40 -1.08 -4.24 117.98 115.88 3i7p s PHE 451 Ca 0.00 -1.12 -0.17 0.00 -0.60 0.00 0.00 56.93 55.04 3i7p s PHE 451 Cb 0.00 -1.56 -0.03 0.00 0.51 0.00 0.00 43.02 41.94 3i7p s PHE 451 CO 0.00 -0.58 1.09 0.14 0.70 0.00 0.00 175.22 176.58 3i7p s VAL 452 N 1.15 3.42 0.00 -0.44 -7.23 -1.26 -4.63 120.40 111.41 3i7p s VAL 452 Ca -0.02 0.74 0.00 0.00 -1.81 0.00 0.00 61.98 60.89 3i7p s VAL 452 Cb -0.14 -3.25 0.00 0.00 0.56 0.00 0.00 36.38 33.54 3i7p s VAL 452 CO -0.05 -0.33 0.00 -0.90 -0.31 0.00 0.00 175.10 173.51 3i7p n ASP 453 N -1.89 2.30 -0.08 4.85 5.68 -1.26 -4.45 116.55 121.70 3i7p n ASP 453 Ca 0.10 -0.17 0.01 0.00 -0.50 0.00 0.00 54.79 54.24 3i7p n ASP 453 Cb 0.52 0.79 0.01 0.00 -1.14 0.00 0.00 41.12 41.30 3i7p n ASP 453 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3i7p n ASP 454 N -1.02 1.21 -3.96 -1.12 3.85 -1.26 -3.80 116.55 110.44 3i7p n ASP 454 Ca 0.00 -1.12 -0.29 0.00 -0.71 0.00 0.00 54.79 52.67 3i7p n ASP 454 Cb 0.00 -0.00 -0.16 0.00 -1.35 0.00 0.00 41.12 39.60 3i7p n ASP 454 CO 0.00 0.00 0.00 -1.10 -1.01 0.00 0.00 177.20 175.09 3i7p s GLN 455 N -0.20 1.89 -0.21 0.11 -1.52 -1.26 -4.72 119.66 113.75 3i7p s GLN 455 Ca 0.02 -0.55 -0.36 0.00 -1.95 0.00 0.00 55.36 52.52 3i7p s GLN 455 Cb 0.02 -2.05 -0.13 0.00 -0.22 0.00 0.00 33.01 30.63 3i7p s GLN 455 CO 0.02 -0.33 1.90 0.94 -0.25 0.00 0.00 175.29 177.58 3i7p n GLN 456 N 4.81 1.62 -2.68 2.91 7.27 -1.24 -4.22 117.38 125.84 3i7p n GLN 456 Ca -0.14 0.57 -0.39 0.00 0.07 0.00 0.00 57.00 57.11 3i7p n GLN 456 Cb 0.49 -2.44 -0.06 0.00 2.41 0.00 0.00 30.24 30.65 3i7p n GLN 456 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 3i7p s THR 457 N 4.58 3.96 -0.49 1.69 2.01 -1.24 -1.97 115.64 124.18 3i7p s THR 457 Ca 0.98 1.82 0.05 0.00 0.31 0.00 0.00 61.69 64.85 3i7p s THR 457 Cb -0.85 -4.09 0.14 0.00 0.01 0.00 0.00 72.50 67.71 3i7p s THR 457 CO 0.56 0.31 1.09 0.49 -0.69 0.00 0.00 174.62 176.38 3i7p n PHE 458 N 0.99 0.21 0.00 4.92 3.72 0.22 -4.39 117.46 123.13 3i7p n PHE 458 Ca 0.00 -0.45 0.00 0.00 -0.05 0.00 0.00 57.45 56.95 3i7p n PHE 458 Cb 0.48 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 38.98 3i7p n PHE 458 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3i7p n PHE 459 N 0.04 0.00 -1.14 1.38 7.35 -1.21 -4.72 117.46 119.17 3i7p n PHE 459 Ca 0.06 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.75 3i7p n PHE 459 Cb 0.32 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.15 3i7p n PHE 459 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3i7p n GLY 461 N 0.00 0.00 2.53 0.00 0.00 -1.26 -4.42 105.19 102.03 3i7p n GLY 461 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 3i7p n GLY 461 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3i7p n ASN 462 N 0.00 -1.47 -4.73 1.61 5.03 -1.26 -4.79 115.26 109.65 3i7p n ASN 462 Ca 0.00 -3.23 -0.42 0.00 0.87 0.00 0.00 54.58 51.81 3i7p n ASN 462 Cb 0.00 0.91 -0.03 0.00 -1.02 0.00 0.00 39.78 39.65 3i7p n ASN 462 CO 0.00 0.00 0.00 0.68 -1.83 0.00 0.00 177.26 176.11 3i7p s VAL 463 N -0.34 2.79 0.82 2.41 -7.23 -1.26 -4.51 120.40 113.09 3i7p s VAL 463 Ca 0.31 0.61 -0.14 0.00 -1.81 0.00 0.00 61.98 60.96 3i7p s VAL 463 Cb 0.25 -3.39 0.20 0.00 0.56 0.00 0.00 36.38 34.00 3i7p s VAL 463 CO -0.14 0.07 0.93 0.00 -0.31 0.00 0.00 175.10 175.65 3i7p n ALA 464 N 3.20 -1.80 -2.91 1.32 0.00 0.52 -3.71 120.51 117.12 3i7p n ALA 464 Ca 0.10 -1.27 -0.09 0.00 0.00 0.00 0.00 53.44 52.17 3i7p n ALA 464 Cb 0.40 -0.07 0.03 0.00 0.00 0.00 0.00 19.45 19.81 3i7p n ALA 464 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3i7p n HIS 465 N -3.79 -1.12 -3.58 0.00 8.25 -1.26 -4.04 115.22 109.68 3i7p n HIS 465 Ca 0.12 0.40 -0.20 0.00 -0.26 0.00 0.00 57.72 57.78 3i7p n HIS 465 Cb 0.44 -2.61 0.05 0.00 1.12 0.00 0.00 29.99 29.00 3i7p n HIS 465 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3i7p n GLN 466 N -2.26 -5.06 -3.83 -0.41 6.02 -1.26 -4.73 117.38 105.84 3i7p n GLN 466 Ca -0.00 0.70 -0.09 0.00 -0.01 0.00 0.00 57.00 57.60 3i7p n GLN 466 Cb 0.53 -5.39 -0.06 0.00 1.02 0.00 0.00 30.24 26.33 3i7p n GLN 466 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 3i7p s GLN 467 N -5.66 1.05 -0.08 -1.09 -2.07 -1.24 0.42 119.66 110.98 3i7p s GLN 467 Ca 0.06 -0.97 0.05 0.00 -1.82 0.00 0.00 55.36 52.67 3i7p s GLN 467 Cb -0.01 0.40 -0.00 0.00 -1.09 0.00 0.00 33.01 32.30 3i7p s GLN 467 CO 0.78 -0.39 -0.23 -0.51 -1.32 0.00 0.00 175.29 173.62 3i7p s LEU 468 N -2.89 2.05 0.16 2.60 1.43 0.45 -4.16 118.68 118.34 3i7p s LEU 468 Ca 0.09 -0.52 -0.00 0.00 -1.03 0.00 0.00 54.13 52.67 3i7p s LEU 468 Cb 0.03 -1.35 -0.04 0.00 0.03 0.00 0.00 46.19 44.86 3i7p s LEU 468 CO -0.07 0.18 0.34 -0.51 0.23 0.00 0.00 176.35 176.52 3i7p s ILE 469 N 0.20 5.26 -0.29 -0.59 -1.16 -1.26 -1.25 121.20 122.11 3i7p s ILE 469 Ca -0.14 -0.43 -0.02 0.00 -0.51 0.00 0.00 60.65 59.56 3i7p s ILE 469 Cb -0.16 -3.71 0.12 0.00 0.61 0.00 0.00 42.46 39.32 3i7p s ILE 469 CO 0.07 -0.09 0.24 -1.58 -2.81 0.00 0.00 174.94 170.77 3i7p s GLN 470 N -3.14 0.28 -0.26 3.50 0.74 -1.23 -4.41 119.66 115.14 3i7p s GLN 470 Ca 0.37 -0.26 -0.28 0.00 0.05 0.00 0.00 55.36 55.24 3i7p s GLN 470 Cb -0.11 -0.81 0.01 0.00 1.10 0.00 0.00 33.01 33.19 3i7p s GLN 470 CO 0.28 -1.02 1.01 0.42 -0.55 0.00 0.00 175.29 175.43 3i7p s ILE 471 N 2.28 4.67 0.45 -2.34 1.01 -1.14 -0.45 121.20 125.68 3i7p s ILE 471 Ca 0.09 1.86 0.07 0.00 0.00 0.00 0.00 60.65 62.67 3i7p s ILE 471 Cb -0.15 -4.30 -0.02 0.00 0.01 0.00 0.00 42.46 38.01 3i7p s ILE 471 CO -0.34 -0.24 0.30 0.28 0.00 0.00 0.00 174.94 174.94 3i7p s THR 472 N 3.25 2.21 0.22 2.92 -1.32 -0.91 0.72 115.64 122.73 3i7p s THR 472 Ca 0.43 -1.54 -0.18 0.00 -1.21 0.00 0.00 61.69 59.19 3i7p s THR 472 Cb -0.14 -2.75 0.23 0.00 -1.51 0.00 0.00 72.50 68.33 3i7p s THR 472 CO 0.09 0.00 1.56 0.28 -2.21 0.00 0.00 174.62 174.34 3i7p h SER 473 N 1.11 -1.34 0.00 8.08 0.02 -1.70 -3.32 113.55 116.41 3i7p h SER 473 Ca -0.41 0.29 0.00 0.00 -0.84 0.00 0.00 61.79 60.83 3i7p h SER 473 Cb 1.27 0.71 0.00 0.00 0.14 0.00 0.00 62.40 64.52 3i7p h SER 473 CO 0.63 -0.29 0.00 0.00 -1.14 0.00 0.00 176.83 176.02 3i7p n ALA 474 N -3.41 0.00 -2.58 3.77 0.00 -1.26 -1.63 120.51 115.40 3i7p n ALA 474 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.21 3i7p n ALA 474 Cb 0.40 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.74 3i7p n ALA 474 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3i7p s SER 475 N -1.51 4.55 -0.56 0.00 1.04 -1.25 -3.87 113.70 112.10 3i7p s SER 475 Ca 0.00 -0.17 -0.27 0.00 0.48 0.00 0.00 55.95 55.99 3i7p s SER 475 Cb 0.00 -1.03 -0.02 0.00 0.10 0.00 0.00 66.02 65.07 3i7p s SER 475 CO 0.00 0.28 1.86 0.54 0.98 0.00 0.00 173.24 176.90 3i7p s VAL 476 N -0.99 3.38 0.89 5.02 0.11 -1.21 -2.15 120.40 125.44 3i7p s VAL 476 Ca 0.17 0.26 -0.12 0.00 -2.93 0.00 0.00 61.98 59.36 3i7p s VAL 476 Cb -0.11 -3.86 0.17 0.00 -1.53 0.00 0.00 36.38 31.05 3i7p s VAL 476 CO 0.07 -0.79 1.22 -0.13 -3.33 0.00 0.00 175.10 172.15 3i7p s ARG 477 N 6.81 1.02 -0.19 1.54 0.52 0.40 -1.24 118.95 127.80 3i7p s ARG 477 Ca 0.70 -0.56 -0.13 0.00 -0.52 0.00 0.00 55.73 55.23 3i7p s ARG 477 Cb -0.14 -1.98 0.06 0.00 0.52 0.00 0.00 34.95 33.40 3i7p s ARG 477 CO 0.23 -2.09 0.47 -1.17 0.02 0.00 0.00 175.30 172.76 3i7p s LEU 478 N -5.67 -0.11 0.02 2.53 2.96 -1.16 -3.50 118.68 113.75 3i7p s LEU 478 Ca 0.71 1.00 0.01 0.00 -0.22 0.00 0.00 54.13 55.63 3i7p s LEU 478 Cb -0.05 1.59 -0.02 0.00 0.50 0.00 0.00 46.19 48.22 3i7p s LEU 478 CO 0.50 -0.19 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.61 3i7p s VAL 479 N 1.02 0.27 0.54 1.68 1.01 -0.38 -3.22 120.40 121.31 3i7p s VAL 479 Ca -0.06 -0.70 0.08 0.00 0.00 0.00 0.00 61.98 61.29 3i7p s VAL 479 Cb -0.06 -0.34 0.05 0.00 0.00 0.00 0.00 36.38 36.03 3i7p s VAL 479 CO -0.09 -0.28 0.59 -0.44 0.00 0.00 0.00 175.10 174.88 3i7p s SER 480 N -1.04 4.97 -0.23 3.32 0.01 -1.26 0.17 113.70 119.63 3i7p s SER 480 Ca -0.09 -0.95 -0.04 0.00 1.31 0.00 0.00 55.95 56.19 3i7p s SER 480 Cb -0.07 0.18 -0.18 0.00 0.21 0.00 0.00 66.02 66.15 3i7p s SER 480 CO -0.00 -1.14 -0.10 0.00 0.41 0.00 0.00 173.24 172.41 3i7p n GLN 481 N -1.97 0.66 0.00 12.44 1.13 0.17 -2.87 117.38 126.94 3i7p n GLN 481 Ca 0.08 0.21 0.00 0.00 -1.94 0.00 0.00 57.00 55.35 3i7p n GLN 481 Cb 0.62 -1.57 0.00 0.00 0.11 0.00 0.00 30.24 29.40 3i7p n GLN 481 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 3i7p n GLU 482 N -3.52 0.00 0.08 -1.09 -0.58 -1.26 -4.55 120.64 109.72 3i7p n GLU 482 Ca -0.44 0.24 -0.09 0.00 -0.42 0.00 0.00 57.16 56.45 3i7p n GLU 482 Cb 0.97 -0.88 -0.05 0.00 -0.57 0.00 0.00 31.44 30.90 3i7p n GLU 482 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 3i7p h PRO 483 N 0.00 -0.43 -5.12 3.49 0.11 -1.90 -3.48 132.00 124.68 3i7p h PRO 483 Ca 0.00 0.03 -0.11 0.00 0.11 0.00 0.00 66.00 66.03 3i7p h PRO 483 Cb 0.00 0.10 0.09 0.00 0.11 0.00 0.00 31.00 31.30 3i7p h PRO 483 CO 0.00 -0.28 -0.39 1.17 -0.21 0.00 0.00 178.00 178.29 3i7p n LYS 484 N -4.06 -1.58 0.00 1.05 3.00 -1.14 -4.84 118.16 110.60 3i7p n LYS 484 Ca -0.05 1.07 0.00 0.00 -0.00 0.00 0.00 58.31 59.33 3i7p n LYS 484 Cb 0.23 -5.29 0.00 0.00 0.00 0.00 0.00 35.03 29.97 3i7p n LYS 484 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3i7p n ALA 485 N -2.36 0.00 -0.08 3.14 0.00 -1.26 -4.78 120.51 115.17 3i7p n ALA 485 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3i7p n ALA 485 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 3i7p n ALA 485 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3i7p n LEU 486 N 0.00 0.10 0.00 0.00 7.94 -1.24 -4.86 117.00 118.94 3i7p n LEU 486 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 3i7p n LEU 486 Cb 0.00 -0.50 0.00 0.00 0.53 0.00 0.00 43.42 43.45 3i7p n LEU 486 CO 0.00 -0.05 0.00 0.52 -1.11 0.00 0.00 177.39 176.75 3i7p n VAL 487 N -2.00 0.00 -3.52 1.96 0.31 -1.20 -4.56 118.33 109.33 3i7p n VAL 487 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.31 3i7p n VAL 487 Cb 0.00 0.00 -0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3i7p n VAL 487 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 3i7p n SER 488 N -3.42 -0.26 -3.39 4.52 2.88 -1.26 -4.82 113.62 107.87 3i7p n SER 488 Ca 0.00 -1.30 0.03 0.00 -1.33 0.00 0.00 58.87 56.27 3i7p n SER 488 Cb 0.00 0.47 -0.05 0.00 -0.75 0.00 0.00 64.21 63.88 3i7p n SER 488 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 3i7p s GLU 489 N -2.10 0.07 0.17 -1.46 2.12 -1.26 -2.98 118.70 113.26 3i7p s GLU 489 Ca 0.04 0.16 0.02 0.00 0.36 0.00 0.00 54.97 55.56 3i7p s GLU 489 Cb -0.00 0.07 -0.04 0.00 0.26 0.00 0.00 34.13 34.42 3i7p s GLU 489 CO 0.03 -0.02 0.31 -0.46 -0.54 0.00 0.00 175.26 174.58 3i7p s TRP 490 N 1.69 3.48 -0.28 5.30 -0.00 -0.38 -4.98 118.94 123.78 3i7p s TRP 490 Ca -0.03 0.13 -0.21 0.00 -0.00 0.00 0.00 56.10 55.99 3i7p s TRP 490 Cb -0.02 -1.68 0.08 0.00 -0.00 0.00 0.00 33.47 31.85 3i7p s TRP 490 CO -0.14 0.49 0.74 0.21 -0.00 0.00 0.00 176.95 178.25 3i7p s LYS 491 N -3.35 0.74 -0.03 5.86 2.47 -1.26 -3.30 119.74 120.88 3i7p s LYS 491 Ca 0.35 1.05 -0.30 0.00 -1.56 0.00 0.00 55.97 55.51 3i7p s LYS 491 Cb -0.11 0.27 -0.04 0.00 -1.46 0.00 0.00 37.83 36.49 3i7p s LYS 491 CO 0.29 -0.12 1.31 -2.00 0.16 0.00 0.00 175.35 174.99 3i7p s GLU 492 N 0.92 4.31 -0.61 4.03 -6.30 -1.26 -4.89 118.70 114.90 3i7p s GLU 492 Ca -0.04 1.84 -0.28 0.00 -2.50 0.00 0.00 54.97 53.98 3i7p s GLU 492 Cb -0.05 -3.57 -0.28 0.00 0.00 0.00 0.00 34.13 30.24 3i7p s GLU 492 CO -0.09 -0.52 1.86 -0.35 0.02 0.00 0.00 175.26 176.18 3i7p n PRO 493 N 5.31 0.33 0.00 4.30 -0.04 -1.26 -1.78 135.00 141.86 3i7p n PRO 493 Ca 0.12 -1.49 0.00 0.00 -0.04 0.00 0.00 63.50 62.09 3i7p n PRO 493 Cb 0.45 -3.22 0.00 0.00 -0.04 0.00 0.00 33.50 30.69 3i7p n PRO 493 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 3i7p n GLN 494 N 7.98 0.00 -2.99 0.54 1.13 -1.26 -4.98 117.38 117.80 3i7p n GLN 494 Ca 0.45 0.00 -0.04 0.00 -1.94 0.00 0.00 57.00 55.47 3i7p n GLN 494 Cb 0.44 0.00 0.02 0.00 0.11 0.00 0.00 30.24 30.81 3i7p n GLN 494 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3i7p n ALA 495 N 0.00 -2.40 -3.48 -1.58 0.00 -0.73 -5.07 120.51 107.24 3i7p n ALA 495 Ca 0.00 0.03 -0.12 0.00 0.00 0.00 0.00 53.44 53.35 3i7p n ALA 495 Cb 0.00 -2.47 -0.11 0.00 0.00 0.00 0.00 19.45 16.87 3i7p n ALA 495 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3i7p s LYS 496 N -3.34 0.34 0.70 0.00 1.02 -1.26 -5.09 119.74 112.11 3i7p s LYS 496 Ca 0.11 0.56 -0.14 0.00 0.02 0.00 0.00 55.97 56.53 3i7p s LYS 496 Cb -0.01 0.05 0.02 0.00 -0.52 0.00 0.00 37.83 37.37 3i7p s LYS 496 CO 0.69 -0.11 1.12 -0.80 -0.92 0.00 0.00 175.35 175.33 3i7p s ASN 497 N 0.78 4.79 0.01 2.83 0.01 -1.26 -4.45 114.94 117.65 3i7p s ASN 497 Ca -0.05 2.01 -0.30 0.00 -0.71 0.00 0.00 52.86 53.81 3i7p s ASN 497 Cb -0.06 -2.55 -0.03 0.00 0.41 0.00 0.00 41.25 39.02 3i7p s ASN 497 CO -0.05 -1.85 0.97 -0.63 -1.51 0.00 0.00 177.10 174.03 3i7p s ILE 498 N -2.43 4.83 -0.25 0.60 1.01 -0.65 -4.49 121.20 119.82 3i7p s ILE 498 Ca 0.66 2.04 -0.17 0.00 0.00 0.00 0.00 60.65 63.19 3i7p s ILE 498 Cb -0.21 -4.31 -0.14 0.00 0.01 0.00 0.00 42.46 37.81 3i7p s ILE 498 CO 0.46 0.18 -0.16 -1.54 0.00 0.00 0.00 174.94 173.89 3i7p n SER 499 N 3.75 1.92 -4.25 3.58 3.41 0.24 -4.77 113.62 117.49 3i7p n SER 499 Ca 0.05 0.37 -0.34 0.00 -0.26 0.00 0.00 58.87 58.69 3i7p n SER 499 Cb 0.51 -0.87 -0.15 0.00 -0.26 0.00 0.00 64.21 63.44 3i7p n SER 499 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3i7p s VAL 500 N -2.46 2.88 -0.11 -3.33 1.01 -1.14 -5.00 120.40 112.25 3i7p s VAL 500 Ca -0.35 -0.67 -0.14 0.00 0.00 0.00 0.00 61.98 60.82 3i7p s VAL 500 Cb 0.12 -2.27 -0.05 0.00 0.00 0.00 0.00 36.38 34.17 3i7p s VAL 500 CO 0.52 0.47 0.33 0.00 0.00 0.00 0.00 175.10 176.43 3i7p s ALA 501 N 1.28 3.63 0.10 5.51 0.00 -1.26 -2.79 121.76 128.22 3i7p s ALA 501 Ca 0.03 -0.38 -0.00 0.00 0.00 0.00 0.00 51.96 51.61 3i7p s ALA 501 Cb -0.14 -2.38 -0.04 0.00 0.00 0.00 0.00 23.12 20.55 3i7p s ALA 501 CO -0.05 0.22 0.00 -1.12 0.00 0.00 0.00 175.76 174.81 3i7p s SER 502 N -0.01 0.61 0.00 0.00 0.01 -1.04 -4.90 113.70 108.37 3i7p s SER 502 Ca 0.19 -1.10 0.00 0.00 1.31 0.00 0.00 55.95 56.35 3i7p s SER 502 Cb -0.14 0.21 0.00 0.00 0.21 0.00 0.00 66.02 66.30 3i7p s SER 502 CO 0.07 -0.63 0.00 0.00 0.41 0.00 0.00 173.24 173.09 3i7p n ASN 504 N 0.00 1.39 0.00 0.00 0.23 -1.18 -4.91 115.26 110.80 3i7p n ASN 504 Ca 0.00 0.23 0.00 0.00 -0.53 0.00 0.00 54.58 54.28 3i7p n ASN 504 Cb 0.00 -0.59 0.00 0.00 -2.08 0.00 0.00 39.78 37.11 3i7p n ASN 504 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 3i7p n SER 505 N -3.88 0.00 0.07 0.53 3.41 -1.26 -4.00 113.62 108.49 3i7p n SER 505 Ca -0.08 -0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.49 3i7p n SER 505 Cb 0.31 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.26 3i7p n SER 505 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3i7p n SER 506 N 0.00 -0.03 -4.81 4.04 7.64 -1.26 -0.36 113.62 118.84 3i7p n SER 506 Ca 0.00 0.24 -0.33 0.00 1.01 0.00 0.00 58.87 59.79 3i7p n SER 506 Cb 0.01 0.18 -0.02 0.00 -1.01 0.00 0.00 64.21 63.37 3i7p n SER 506 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 3i7p s GLN 507 N -2.00 3.68 -0.04 1.43 1.11 -1.26 -3.96 119.66 118.62 3i7p s GLN 507 Ca 0.00 1.25 0.00 0.00 0.01 0.00 0.00 55.36 56.62 3i7p s GLN 507 Cb 0.00 -2.08 0.03 0.00 -1.01 0.00 0.00 33.01 29.94 3i7p s GLN 507 CO 0.00 -0.52 -0.01 0.08 0.01 0.00 0.00 175.29 174.86 3i7p s VAL 508 N -2.22 0.28 -0.11 1.09 1.01 -0.97 -3.07 120.40 116.40 3i7p s VAL 508 Ca 0.65 0.06 -0.02 0.00 0.00 0.00 0.00 61.98 62.67 3i7p s VAL 508 Cb -0.15 -0.38 0.04 0.00 0.00 0.00 0.00 36.38 35.89 3i7p s VAL 508 CO 0.26 0.18 0.00 -0.69 0.00 0.00 0.00 175.10 174.86 3i7p s VAL 509 N 1.22 0.49 0.00 2.92 1.01 -1.24 -1.81 120.40 122.98 3i7p s VAL 509 Ca -0.07 -0.11 0.00 0.00 0.00 0.00 0.00 61.98 61.80 3i7p s VAL 509 Cb -0.13 -0.73 0.00 0.00 0.00 0.00 0.00 36.38 35.52 3i7p s VAL 509 CO -0.02 0.14 0.00 1.33 0.00 0.00 0.00 175.10 176.55 3i7p n VAL 510 N 5.10 0.00 -3.63 2.92 0.24 -1.26 -2.51 118.33 119.18 3i7p n VAL 510 Ca -0.08 0.00 -0.05 0.00 -2.04 0.00 0.00 64.34 62.17 3i7p n VAL 510 Cb 0.49 -0.61 -0.06 0.00 -1.47 0.00 0.00 33.84 32.19 3i7p n VAL 510 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i7p s ALA 511 N -2.00 -2.03 -0.16 2.33 0.00 -1.12 -4.00 121.76 114.78 3i7p s ALA 511 Ca 0.00 2.35 0.19 0.00 0.00 0.00 0.00 51.96 54.50 3i7p s ALA 511 Cb 0.00 -1.56 -0.11 0.00 0.00 0.00 0.00 23.12 21.45 3i7p s ALA 511 CO 0.00 -0.46 0.85 0.28 0.00 0.00 0.00 175.76 176.43 3i7p n VAL 512 N 4.33 0.94 0.00 0.00 0.31 -0.89 0.79 118.33 123.81 3i7p n VAL 512 Ca -0.18 -0.64 0.00 0.00 -0.01 0.00 0.00 64.34 63.51 3i7p n VAL 512 Cb 0.57 -0.56 0.00 0.00 -0.91 0.00 0.00 33.84 32.94 3i7p n VAL 512 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3i7p n GLY 513 N 1.33 -2.21 0.06 2.92 0.00 -1.26 -4.50 105.19 101.52 3i7p n GLY 513 Ca -0.07 0.77 0.04 0.00 0.00 0.00 0.00 46.02 46.76 3i7p n GLY 513 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i7p n ARG 514 N 0.00 0.66 -1.95 1.61 1.74 -1.26 0.32 116.66 117.78 3i7p n ARG 514 Ca 0.00 -0.05 -0.42 0.00 -0.77 0.00 0.00 57.85 56.61 3i7p n ARG 514 Cb 0.00 -1.60 -0.03 0.00 -1.02 0.00 0.00 32.46 29.81 3i7p n ARG 514 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i7p s ALA 515 N -3.15 3.69 -0.42 7.54 0.00 -1.26 -2.48 121.76 125.68 3i7p s ALA 515 Ca -0.07 1.22 0.04 0.00 0.00 0.00 0.00 51.96 53.14 3i7p s ALA 515 Cb 0.11 -3.68 0.11 0.00 0.00 0.00 0.00 23.12 19.67 3i7p s ALA 515 CO 0.86 -1.03 0.15 -0.51 0.00 0.00 0.00 175.76 175.23 3i7p s LEU 516 N 2.36 4.29 0.00 0.00 1.43 0.13 -2.10 118.68 124.80 3i7p s LEU 516 Ca 0.73 -2.52 0.00 0.00 -1.03 0.00 0.00 54.13 51.31 3i7p s LEU 516 Cb -0.40 -1.55 0.00 0.00 0.03 0.00 0.00 46.19 44.27 3i7p s LEU 516 CO 0.32 -0.31 0.00 -1.22 0.23 0.00 0.00 176.35 175.37 3i7p n TYR 517 N 3.76 -0.01 0.00 0.29 4.02 -1.26 -1.84 117.16 122.13 3i7p n TYR 517 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.93 3i7p n TYR 517 Cb 0.37 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.69 3i7p n TYR 517 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 176.86 176.83 3i7p n TYR 518 N -0.01 0.00 -4.15 -0.72 -0.00 -1.22 -4.55 117.16 106.51 3i7p n TYR 518 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 57.90 57.79 3i7p n TYR 518 Cb 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 39.34 39.25 3i7p n TYR 518 CO 0.00 0.00 0.00 -0.48 -0.00 0.00 0.00 176.86 176.38 3i7p s LEU 519 N 0.00 1.29 0.05 2.98 2.34 -0.75 -1.37 118.68 123.22 3i7p s LEU 519 Ca 0.00 -1.27 0.05 0.00 0.06 0.00 0.00 54.13 52.97 3i7p s LEU 519 Cb 0.00 0.49 -0.02 0.00 -0.56 0.00 0.00 46.19 46.10 3i7p s LEU 519 CO 0.00 -0.83 -0.13 -1.10 -1.06 0.00 0.00 176.35 173.23 3i7p s GLN 520 N -4.10 0.82 -1.22 1.48 -0.21 -0.33 -2.29 119.66 113.81 3i7p s GLN 520 Ca 0.32 -0.82 -0.07 0.00 0.02 0.00 0.00 55.36 54.80 3i7p s GLN 520 Cb 0.06 -0.80 0.21 0.00 1.00 0.00 0.00 33.01 33.48 3i7p s GLN 520 CO 0.08 0.19 1.81 -0.89 -2.12 0.00 0.00 175.29 174.35 3i7p n ILE 521 N 1.62 4.76 -2.54 1.08 2.08 -1.25 -1.80 119.36 123.31 3i7p n ILE 521 Ca -0.20 -4.87 -0.34 0.00 0.56 0.00 0.00 62.75 57.90 3i7p n ILE 521 Cb 0.55 -2.23 -0.03 0.00 -0.75 0.00 0.00 39.64 37.17 3i7p n ILE 521 CO 0.00 0.00 0.00 -1.00 0.56 0.00 0.00 176.55 176.11 3i7p s HIS 522 N -0.79 3.02 0.00 1.39 3.76 0.26 -4.57 115.29 118.37 3i7p s HIS 522 Ca 0.38 1.58 0.00 0.00 -0.15 0.00 0.00 55.06 56.88 3i7p s HIS 522 Cb 0.09 -3.08 0.00 0.00 1.11 0.00 0.00 32.58 30.71 3i7p s HIS 522 CO 0.02 -0.82 0.59 -2.30 -0.85 0.00 0.00 174.74 171.38 3i7p n PRO 523 N -0.87 0.00 0.00 8.40 -0.02 -1.26 0.18 135.00 141.43 3i7p n PRO 523 Ca 0.09 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 3i7p n PRO 523 Cb 0.52 -0.70 0.00 0.00 -0.02 0.00 0.00 33.50 33.30 3i7p n PRO 523 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3i7p n GLN 524 N 2.92 0.00 -3.61 -0.52 6.02 -1.26 -5.09 117.38 115.84 3i7p n GLN 524 Ca 0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 57.00 56.84 3i7p n GLN 524 Cb 0.29 0.00 -0.07 0.00 1.02 0.00 0.00 30.24 31.48 3i7p n GLN 524 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.06 174.22 3i7p s GLU 525 N -0.88 0.89 -0.75 -1.09 4.04 0.48 -4.34 118.70 117.05 3i7p s GLU 525 Ca 0.00 0.79 -0.20 0.00 0.04 0.00 0.00 54.97 55.60 3i7p s GLU 525 Cb 0.00 0.43 0.10 0.00 0.02 0.00 0.00 34.13 34.68 3i7p s GLU 525 CO 0.00 -0.16 0.96 -0.51 -1.84 0.00 0.00 175.26 173.72 3i7p s LEU 526 N -0.04 4.91 0.09 1.83 1.43 -1.26 -0.57 118.68 125.07 3i7p s LEU 526 Ca -0.03 -1.52 -0.18 0.00 -1.03 0.00 0.00 54.13 51.37 3i7p s LEU 526 Cb -0.04 -2.38 -0.07 0.00 0.03 0.00 0.00 46.19 43.73 3i7p s LEU 526 CO 0.03 -1.21 0.57 -0.60 0.23 0.00 0.00 176.35 175.37 3i7p s ARG 527 N 3.16 4.15 0.71 1.70 3.52 -0.74 -4.83 118.95 126.62 3i7p s ARG 527 Ca 0.24 0.69 -0.10 0.00 -0.13 0.00 0.00 55.73 56.43 3i7p s ARG 527 Cb -0.14 -3.17 0.04 0.00 -1.56 0.00 0.00 34.95 30.13 3i7p s ARG 527 CO 0.02 0.60 1.07 -1.14 -0.81 0.00 0.00 175.30 175.04 3i7p s GLN 528 N -1.29 2.46 0.00 5.12 0.74 -1.26 -1.19 119.66 124.24 3i7p s GLN 528 Ca 0.31 0.12 0.00 0.00 0.05 0.00 0.00 55.36 55.84 3i7p s GLN 528 Cb -0.18 -2.08 0.00 0.00 1.10 0.00 0.00 33.01 31.85 3i7p s GLN 528 CO 0.19 -1.18 0.00 -0.89 -0.55 0.00 0.00 175.29 172.86 3i7p n ILE 529 N -3.00 0.00 -2.17 -2.34 5.41 -0.47 -4.87 119.36 111.92 3i7p n ILE 529 Ca 0.07 0.00 -0.28 0.00 1.00 0.00 0.00 62.75 63.54 3i7p n ILE 529 Cb 0.59 0.00 0.17 0.00 -0.71 0.00 0.00 39.64 39.69 3i7p n ILE 529 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 3i7p s SER 530 N 1.31 3.33 -0.29 4.38 0.01 -1.25 -4.91 113.70 116.29 3i7p s SER 530 Ca 0.00 -0.05 -0.22 0.00 1.31 0.00 0.00 55.95 56.99 3i7p s SER 530 Cb 0.00 -0.03 0.14 0.00 0.21 0.00 0.00 66.02 66.35 3i7p s SER 530 CO 0.00 -2.57 1.11 -2.28 0.41 0.00 0.00 173.24 169.91 3i7p s HIS 531 N -3.68 -0.40 0.23 2.43 2.46 -1.25 -3.45 115.29 111.63 3i7p s HIS 531 Ca 0.73 0.91 -0.18 0.00 0.47 0.00 0.00 55.06 57.00 3i7p s HIS 531 Cb -0.03 0.36 0.02 0.00 -0.13 0.00 0.00 32.58 32.80 3i7p s HIS 531 CO 0.51 -0.19 0.57 0.99 -2.47 0.00 0.00 174.74 174.15 3i7p s THR 532 N 0.50 0.01 -0.02 0.89 2.01 -0.77 -4.99 115.64 113.28 3i7p s THR 532 Ca 0.00 -0.98 0.02 0.00 0.31 0.00 0.00 61.69 61.05 3i7p s THR 532 Cb -0.05 -1.84 0.00 0.00 0.01 0.00 0.00 72.50 70.62 3i7p s THR 532 CO -0.10 -0.05 -0.08 -0.70 -0.69 0.00 0.00 174.62 173.00 3i7p s GLU 533 N -3.92 0.75 0.20 4.92 2.12 -1.26 0.19 118.70 121.71 3i7p s GLU 533 Ca 0.13 -0.26 0.09 0.00 0.36 0.00 0.00 54.97 55.29 3i7p s GLU 533 Cb -0.02 -0.72 -0.04 0.00 0.26 0.00 0.00 34.13 33.60 3i7p s GLU 533 CO 0.03 0.12 -0.09 -1.64 -0.54 0.00 0.00 175.26 173.14 3i7p s MET 534 N 0.06 2.05 0.00 4.30 -1.94 -1.04 -4.97 119.30 117.76 3i7p s MET 534 Ca -0.01 -1.35 0.00 0.00 -1.71 0.00 0.00 55.69 52.63 3i7p s MET 534 Cb -0.06 -2.11 0.00 0.00 2.01 0.00 0.00 34.83 34.66 3i7p s MET 534 CO -0.00 0.41 0.00 0.39 -0.01 0.00 0.00 175.02 175.81 3i7p n GLU 535 N -0.17 0.00 -4.44 2.03 -0.58 -1.26 -4.69 120.64 111.53 3i7p n GLU 535 Ca -0.10 0.00 -0.22 0.00 -0.42 0.00 0.00 57.16 56.42 3i7p n GLU 535 Cb 0.56 0.00 -0.09 0.00 -0.57 0.00 0.00 31.44 31.34 3i7p n GLU 535 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 3i7p s HIS 536 N -4.84 1.77 0.02 -0.32 3.76 -1.26 -5.06 115.29 109.36 3i7p s HIS 536 Ca 0.00 -1.20 -0.33 0.00 -0.15 0.00 0.00 55.06 53.38 3i7p s HIS 536 Cb 0.00 -1.11 -0.11 0.00 1.11 0.00 0.00 32.58 32.47 3i7p s HIS 536 CO 0.00 -0.26 1.84 0.39 -0.85 0.00 0.00 174.74 175.85 3i7p n GLU 537 N -0.74 2.42 -1.85 1.40 1.02 -1.26 -4.21 120.64 117.42 3i7p n GLU 537 Ca -0.03 0.88 -0.43 0.00 -0.02 0.00 0.00 57.16 57.57 3i7p n GLU 537 Cb 0.65 -2.75 -0.03 0.00 -0.02 0.00 0.00 31.44 29.30 3i7p n GLU 537 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3i7p s VAL 538 N 3.32 3.32 0.02 2.62 1.01 0.96 -0.97 120.40 130.68 3i7p s VAL 538 Ca 0.87 0.37 -0.18 0.00 0.00 0.00 0.00 61.98 63.05 3i7p s VAL 538 Cb -0.60 -3.31 -0.29 0.00 0.00 0.00 0.00 36.38 32.19 3i7p s VAL 538 CO 0.45 -0.10 1.04 0.00 0.00 0.00 0.00 175.10 176.49 3i7p h ALA 539 N 11.38 -0.02 -1.45 5.51 0.00 0.81 -3.45 119.26 132.04 3i7p h ALA 539 Ca -0.41 -0.71 0.18 0.00 0.00 0.00 0.00 54.91 53.97 3i7p h ALA 539 Cb 1.20 0.09 -0.22 0.00 0.00 0.00 0.00 17.79 18.86 3i7p h ALA 539 CO 0.97 0.53 0.74 0.00 0.00 0.00 0.00 179.25 181.48 3i7p s LEU 541 N -1.50 1.35 -0.06 0.00 1.43 -1.26 -2.39 118.68 116.24 3i7p s LEU 541 Ca 0.05 0.27 0.04 0.00 -1.03 0.00 0.00 54.13 53.46 3i7p s LEU 541 Cb -0.01 0.43 -0.00 0.00 0.03 0.00 0.00 46.19 46.64 3i7p s LEU 541 CO -0.04 -0.07 -0.20 -0.62 0.23 0.00 0.00 176.35 175.66 3i7p s ASP 542 N 0.28 2.55 -0.04 2.29 2.15 -1.24 -4.87 116.67 117.80 3i7p s ASP 542 Ca -0.02 -0.44 -0.02 0.00 0.43 0.00 0.00 52.55 52.51 3i7p s ASP 542 Cb -0.03 -0.91 0.02 0.00 -0.30 0.00 0.00 42.92 41.71 3i7p s ASP 542 CO -0.01 0.16 0.09 0.27 -0.17 0.00 0.00 175.17 175.50 3i7p s ILE 543 N 0.17 -0.03 -0.23 4.11 -5.25 -1.26 -4.53 121.20 114.18 3i7p s ILE 543 Ca -0.09 0.12 -0.20 0.00 -0.99 0.00 0.00 60.65 59.49 3i7p s ILE 543 Cb -0.14 -0.15 0.06 0.00 2.95 0.00 0.00 42.46 45.18 3i7p s ILE 543 CO 0.05 0.05 0.60 -0.89 -1.79 0.00 0.00 174.94 172.96 3i7p s THR 544 N 0.72 -0.00 -0.17 8.37 2.01 -1.26 -4.45 115.64 120.86 3i7p s THR 544 Ca -0.06 0.01 -0.28 0.00 0.31 0.00 0.00 61.69 61.66 3i7p s THR 544 Cb -0.08 -0.85 -0.06 0.00 0.01 0.00 0.00 72.50 71.53 3i7p s THR 544 CO -0.03 0.00 2.17 -2.16 -0.69 0.00 0.00 174.62 173.91 3i7p s PRO 545 N 0.52 3.34 0.00 4.92 0.04 -1.26 -4.83 135.00 137.73 3i7p s PRO 545 Ca -0.02 2.15 0.00 0.00 0.04 0.00 0.00 61.00 63.17 3i7p s PRO 545 Cb -0.05 -4.33 0.00 0.00 0.04 0.00 0.00 34.50 30.16 3i7p s PRO 545 CO -0.02 -1.87 0.00 1.28 0.04 0.00 0.00 177.00 176.43 3i7p n LEU 546 N 10.83 0.00 0.00 -3.56 4.32 -1.26 -4.85 117.00 122.48 3i7p n LEU 546 Ca 0.28 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.27 3i7p n LEU 546 Cb 0.44 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.24 3i7p n LEU 546 CO 0.66 0.00 0.01 0.61 -1.22 0.00 0.00 177.39 177.45 3i7p n GLY 547 N 4.53 1.61 1.77 -0.72 0.00 -1.26 -4.54 105.19 106.58 3i7p n GLY 547 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 3i7p n GLY 547 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3i7p n ASP 548 N -0.29 6.08 -3.45 1.61 5.75 -1.26 -4.70 116.55 120.28 3i7p n ASP 548 Ca 0.00 -2.87 -0.09 0.00 -0.01 0.00 0.00 54.79 51.82 3i7p n ASP 548 Cb 0.00 -1.07 -0.09 0.00 -1.03 0.00 0.00 41.12 38.93 3i7p n ASP 548 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 3i7p s SER 549 N 0.71 0.11 -0.23 -1.12 1.04 -1.26 -5.09 113.70 107.85 3i7p s SER 549 Ca 0.22 0.46 -0.26 0.00 0.48 0.00 0.00 55.95 56.85 3i7p s SER 549 Cb 0.17 1.16 -0.00 0.00 0.10 0.00 0.00 66.02 67.45 3i7p s SER 549 CO -0.00 -0.28 0.89 0.20 0.98 0.00 0.00 173.24 175.03 3i7p s ASN 550 N 2.56 6.92 0.00 7.02 0.01 -1.26 -4.20 114.94 125.99 3i7p s ASN 550 Ca 0.08 1.14 0.00 0.00 -0.71 0.00 0.00 52.86 53.37 3i7p s ASN 550 Cb -0.14 -2.47 0.00 0.00 0.41 0.00 0.00 41.25 39.05 3i7p s ASN 550 CO -0.15 -0.55 0.00 0.61 -1.51 0.00 0.00 177.10 175.50 3i7p n GLY 551 N 3.61 1.89 3.72 0.66 0.00 -1.26 -4.88 105.19 108.92 3i7p n GLY 551 Ca 0.07 0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 3i7p n GLY 551 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3i7p s LEU 552 N 0.00 4.38 -0.18 0.99 2.96 -1.26 -4.26 118.68 121.31 3i7p s LEU 552 Ca 0.00 2.21 -0.04 0.00 -0.22 0.00 0.00 54.13 56.07 3i7p s LEU 552 Cb 0.00 -3.59 -0.02 0.00 0.50 0.00 0.00 46.19 43.08 3i7p s LEU 552 CO 0.00 -0.54 -0.02 -0.55 -1.32 0.00 0.00 176.35 173.92 3i7p s SER 553 N 0.90 4.73 0.00 3.68 0.15 -1.26 -4.75 113.70 117.15 3i7p s SER 553 Ca 0.60 -0.20 0.00 0.00 0.70 0.00 0.00 55.95 57.05 3i7p s SER 553 Cb -0.34 -1.79 0.00 0.00 -1.71 0.00 0.00 66.02 62.18 3i7p s SER 553 CO 0.31 0.09 0.00 -2.65 1.20 0.00 0.00 173.24 172.20 3i7p n PRO 554 N 4.03 1.70 -0.71 5.44 -0.02 -1.26 -4.91 135.00 139.27 3i7p n PRO 554 Ca -0.17 0.00 -0.21 0.00 -2.02 0.00 0.00 63.50 61.09 3i7p n PRO 554 Cb 0.52 0.00 0.18 0.00 -0.02 0.00 0.00 33.50 34.18 3i7p n PRO 554 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 3i7p n LEU 555 N 0.00 0.00 -3.83 2.45 -0.00 -1.26 -4.50 117.00 109.85 3i7p n LEU 555 Ca 0.00 -0.81 -0.07 0.00 -0.00 0.00 0.00 56.01 55.13 3i7p n LEU 555 Cb 0.00 -0.71 0.03 0.00 -0.00 0.00 0.00 43.42 42.73 3i7p n LEU 555 CO 0.00 -1.86 0.63 0.00 -0.00 0.00 0.00 177.39 176.15 3i7p s ALA 557 N -2.12 -0.57 -0.04 0.00 0.00 -1.26 0.65 121.76 118.42 3i7p s ALA 557 Ca 0.18 -0.44 -0.29 0.00 0.00 0.00 0.00 51.96 51.41 3i7p s ALA 557 Cb -0.04 0.80 0.09 0.00 0.00 0.00 0.00 23.12 23.96 3i7p s ALA 557 CO 0.10 -0.70 0.77 -1.50 0.00 0.00 0.00 175.76 174.42 3i7p s ILE 558 N -3.89 0.00 -0.10 0.00 2.07 -1.10 -3.73 121.20 114.46 3i7p s ILE 558 Ca 0.10 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 59.37 3i7p s ILE 558 Cb 0.01 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.61 3i7p s ILE 558 CO -0.04 0.00 -0.17 -0.83 -1.91 0.00 0.00 174.94 171.99 3i7p s GLY 559 N -1.55 1.06 0.43 1.50 0.00 -1.01 -2.03 107.32 105.73 3i7p s GLY 559 Ca -0.05 -0.73 0.04 0.00 0.00 0.00 0.00 44.72 43.98 3i7p s GLY 559 CO 0.02 0.06 0.32 1.04 0.00 0.00 0.00 173.10 174.55 3i7p n LEU 560 N 3.95 0.00 -0.06 0.66 4.77 -0.75 0.13 117.00 125.71 3i7p n LEU 560 Ca -0.20 -2.23 -0.02 0.00 -0.03 0.00 0.00 56.01 53.53 3i7p n LEU 560 Cb 0.52 -0.03 -0.02 0.00 -2.33 0.00 0.00 43.42 41.56 3i7p n LEU 560 CO 0.25 -0.51 0.01 -0.50 -1.33 0.00 0.00 177.39 175.31 3i7p h TRP 561 N 0.63 0.00 0.00 -1.77 4.06 -1.35 -3.27 115.95 114.26 3i7p h TRP 561 Ca -0.27 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.68 3i7p h TRP 561 Cb 0.99 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.15 3i7p h TRP 561 CO 0.00 0.14 -1.58 2.41 -3.56 0.00 0.00 178.44 175.85 3i7p n THR 562 N -4.74 0.24 0.99 1.49 -1.04 -1.26 -2.67 114.28 107.29 3i7p n THR 562 Ca -0.02 -0.50 0.11 0.00 -2.04 0.00 0.00 64.05 61.60 3i7p n THR 562 Cb 0.09 -0.11 0.01 0.00 -1.82 0.00 0.00 70.33 68.51 3i7p n THR 562 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 3i7p n ASP 563 N -2.40 2.21 -3.21 8.00 5.75 -1.26 -4.99 116.55 120.66 3i7p n ASP 563 Ca -0.02 -1.60 -0.17 0.00 -0.01 0.00 0.00 54.79 52.99 3i7p n ASP 563 Cb 0.55 0.39 0.02 0.00 -1.03 0.00 0.00 41.12 41.05 3i7p n ASP 563 CO 0.00 0.00 0.00 -0.38 -0.11 0.00 0.00 177.20 176.71 3i7p n ILE 564 N 0.24 -5.31 -3.70 2.12 -0.00 -1.09 -4.70 119.36 106.94 3i7p n ILE 564 Ca 0.10 0.56 -0.10 0.00 -0.00 0.00 0.00 62.75 63.31 3i7p n ILE 564 Cb 0.49 -4.32 -0.05 0.00 -0.00 0.00 0.00 39.64 35.77 3i7p n ILE 564 CO 0.00 0.00 0.00 -0.94 -0.00 0.00 0.00 176.55 175.61 3i7p s SER 565 N -1.49 -0.19 -0.02 4.38 1.04 -1.23 -3.52 113.70 112.68 3i7p s SER 565 Ca 0.19 -0.42 0.01 0.00 0.48 0.00 0.00 55.95 56.21 3i7p s SER 565 Cb -0.03 0.48 0.01 0.00 0.10 0.00 0.00 66.02 66.58 3i7p s SER 565 CO 0.55 -0.88 -0.02 0.00 0.98 0.00 0.00 173.24 173.87 3i7p s ALA 566 N -3.83 0.33 0.02 5.32 0.00 -1.24 -1.81 121.76 120.54 3i7p s ALA 566 Ca 0.05 -0.00 -0.02 0.00 0.00 0.00 0.00 51.96 51.99 3i7p s ALA 566 Cb 0.02 -0.20 -0.02 0.00 0.00 0.00 0.00 23.12 22.92 3i7p s ALA 566 CO -0.09 0.01 0.02 -0.98 0.00 0.00 0.00 175.76 174.71 3i7p s ARG 567 N 0.46 0.40 -0.23 0.00 1.70 -0.86 -0.91 118.95 119.51 3i7p s ARG 567 Ca -0.05 -0.64 -0.11 0.00 -0.47 0.00 0.00 55.73 54.47 3i7p s ARG 567 Cb -0.08 0.15 -0.05 0.00 -0.57 0.00 0.00 34.95 34.41 3i7p s ARG 567 CO -0.01 -0.08 0.17 0.42 -1.08 0.00 0.00 175.30 174.72 3i7p s ILE 568 N -1.80 5.36 0.07 4.99 -1.09 -0.38 -2.69 121.20 125.66 3i7p s ILE 568 Ca -0.12 0.21 -0.12 0.00 -2.23 0.00 0.00 60.65 58.39 3i7p s ILE 568 Cb -0.07 -3.51 0.01 0.00 -1.58 0.00 0.00 42.46 37.32 3i7p s ILE 568 CO -0.02 0.36 0.26 -0.76 -1.23 0.00 0.00 174.94 173.55 3i7p s LEU 569 N 0.94 1.08 0.00 2.97 1.02 0.21 0.55 118.68 125.44 3i7p s LEU 569 Ca 0.08 -0.39 0.00 0.00 0.02 0.00 0.00 54.13 53.84 3i7p s LEU 569 Cb -0.13 1.25 0.00 0.00 0.02 0.00 0.00 46.19 47.32 3i7p s LEU 569 CO 0.03 -0.67 0.00 1.17 0.02 0.00 0.00 176.35 176.90 3i7p n LYS 570 N 0.28 2.38 0.00 1.70 4.81 -1.11 0.87 118.16 127.09 3i7p n LYS 570 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.27 3i7p n LYS 570 Cb 0.61 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.66 3i7p n LYS 570 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 3i7p n LEU 571 N 0.00 0.00 0.23 3.14 7.94 -1.26 -4.09 117.00 122.95 3i7p n LEU 571 Ca 0.00 0.00 0.11 0.00 -1.11 0.00 0.00 56.01 55.01 3i7p n LEU 571 Cb 0.00 0.00 0.46 0.00 0.53 0.00 0.00 43.42 44.41 3i7p n LEU 571 CO 0.00 0.00 0.81 -0.65 -1.11 0.00 0.00 177.39 176.44 3i7p h PRO 572 N 0.00 0.00 0.18 1.96 0.11 -1.96 -3.27 132.00 129.02 3i7p h PRO 572 Ca 0.00 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 65.85 3i7p h PRO 572 Cb 0.00 0.00 0.02 0.00 0.11 0.00 0.00 31.00 31.13 3i7p h PRO 572 CO 0.00 0.20 -1.21 0.66 -0.21 0.00 0.00 178.00 177.45 3i7p h SER 573 N 0.00 0.59 -2.34 -2.05 4.64 -1.99 -3.43 113.55 108.98 3i7p h SER 573 Ca -0.00 -0.93 -0.22 0.00 -0.47 0.00 0.00 61.79 60.17 3i7p h SER 573 Cb 0.75 -0.19 0.02 0.00 -0.31 0.00 0.00 62.40 62.66 3i7p h SER 573 CO 0.03 1.57 -0.32 0.49 -0.87 0.00 0.00 176.83 177.73 3i7p n PHE 574 N -3.92 -0.91 -2.53 4.77 3.01 -1.24 -4.98 117.46 111.66 3i7p n PHE 574 Ca -0.18 0.20 -0.43 0.00 1.01 0.00 0.00 57.45 58.05 3i7p n PHE 574 Cb 0.95 -2.82 -0.02 0.00 -0.01 0.00 0.00 39.48 37.57 3i7p n PHE 574 CO 0.00 0.00 0.00 -1.83 1.01 0.00 0.00 176.76 175.94 3i7p s GLU 575 N -4.98 4.26 0.01 -1.08 -1.05 -1.26 -4.56 118.70 110.03 3i7p s GLU 575 Ca 0.11 1.53 -0.30 0.00 -0.15 0.00 0.00 54.97 56.17 3i7p s GLU 575 Cb -0.05 -3.70 -0.06 0.00 -0.44 0.00 0.00 34.13 29.88 3i7p s GLU 575 CO 0.14 -0.65 1.44 -1.17 0.95 0.00 0.00 175.26 175.97 3i7p s LEU 576 N 3.26 4.32 0.00 1.83 1.98 -1.26 -2.76 118.68 126.05 3i7p s LEU 576 Ca 0.50 2.17 0.00 0.00 -2.89 0.00 0.00 54.13 53.91 3i7p s LEU 576 Cb -0.19 -3.56 0.00 0.00 0.66 0.00 0.00 46.19 43.10 3i7p s LEU 576 CO 0.12 -0.75 0.00 0.18 -1.89 0.00 0.00 176.35 174.01 3i7p n LEU 577 N 5.42 0.00 -4.96 -0.68 4.32 0.19 -4.99 117.00 116.31 3i7p n LEU 577 Ca 0.14 0.00 -0.23 0.00 -0.02 0.00 0.00 56.01 55.90 3i7p n LEU 577 Cb 0.43 0.00 0.05 0.00 -1.62 0.00 0.00 43.42 42.29 3i7p n LEU 577 CO 0.59 0.00 0.47 -2.28 -1.22 0.00 0.00 177.39 174.95 3i7p s HIS 578 N 2.18 2.76 0.29 -1.77 5.65 -1.26 -4.92 115.29 118.22 3i7p s HIS 578 Ca 0.00 0.12 -0.14 0.00 0.25 0.00 0.00 55.06 55.30 3i7p s HIS 578 Cb 0.00 -2.94 0.01 0.00 -1.18 0.00 0.00 32.58 28.47 3i7p s HIS 578 CO 0.00 -1.14 0.58 -1.59 -0.65 0.00 0.00 174.74 171.93 3i7p s LYS 579 N -4.97 1.75 0.31 2.88 -2.85 -1.26 -1.25 119.74 114.34 3i7p s LYS 579 Ca 0.59 -1.30 0.10 0.00 -1.00 0.00 0.00 55.97 54.36 3i7p s LYS 579 Cb -0.10 0.52 -0.05 0.00 -2.06 0.00 0.00 37.83 36.14 3i7p s LYS 579 CO 0.41 -0.76 -0.03 -2.00 0.10 0.00 0.00 175.35 173.06 3i7p s GLU 580 N -3.61 2.07 -0.49 1.78 2.56 -0.09 -4.99 118.70 115.93 3i7p s GLU 580 Ca 0.20 -1.65 0.08 0.00 0.00 0.00 0.00 54.97 53.60 3i7p s GLU 580 Cb -0.02 -1.97 0.32 0.00 2.00 0.00 0.00 34.13 34.45 3i7p s GLU 580 CO 0.11 0.24 0.78 -0.12 -0.56 0.00 0.00 175.26 175.71 3i7p n MET 581 N -0.87 1.99 -0.85 4.30 0.00 -1.26 -3.74 117.12 116.68 3i7p n MET 581 Ca -0.05 -4.09 -0.33 0.00 -0.00 0.00 0.00 57.70 53.24 3i7p n MET 581 Cb 0.61 -1.91 0.14 0.00 0.00 0.00 0.00 33.22 32.05 3i7p n MET 581 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 3i7p n LEU 582 N 0.33 2.11 0.00 -0.89 4.77 -1.23 -5.01 117.00 117.08 3i7p n LEU 582 Ca 0.27 0.44 0.00 0.00 -0.03 0.00 0.00 56.01 56.69 3i7p n LEU 582 Cb 0.51 -1.37 0.00 0.00 -2.33 0.00 0.00 43.42 40.23 3i7p n LEU 582 CO 0.28 -2.66 0.00 0.61 -1.33 0.00 0.00 177.39 174.29 3i7p n GLY 583 N 0.87 3.04 1.00 -0.72 0.00 -1.26 -4.66 105.19 103.46 3i7p n GLY 583 Ca 0.10 -1.92 0.13 0.00 0.00 0.00 0.00 46.02 44.33 3i7p n GLY 583 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i7p n GLY 584 N 5.00 -2.49 0.82 -0.02 0.00 -1.26 -4.57 105.19 102.67 3i7p n GLY 584 Ca 0.00 -1.22 0.12 0.00 0.00 0.00 0.00 46.02 44.92 3i7p n GLY 584 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i7p n GLU 585 N -3.75 2.09 -3.98 1.61 -0.58 -1.26 -4.85 120.64 109.93 3i7p n GLU 585 Ca -0.03 -1.63 -0.36 0.00 -0.42 0.00 0.00 57.16 54.73 3i7p n GLU 585 Cb 0.47 -1.45 -0.08 0.00 -0.57 0.00 0.00 31.44 29.80 3i7p n GLU 585 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 3i7p s ILE 586 N -1.73 5.07 0.51 -3.67 -1.09 -1.26 -5.05 121.20 113.98 3i7p s ILE 586 Ca 0.35 0.05 -0.05 0.00 -2.23 0.00 0.00 60.65 58.77 3i7p s ILE 586 Cb 0.20 -3.24 -0.02 0.00 -1.58 0.00 0.00 42.46 37.83 3i7p s ILE 586 CO 0.29 0.54 0.81 0.27 -1.23 0.00 0.00 174.94 175.62 3i7p s ILE 587 N -0.33 4.33 -0.52 2.92 -0.00 -1.26 -4.77 121.20 121.57 3i7p s ILE 587 Ca 0.10 0.02 -0.27 0.00 -0.00 0.00 0.00 60.65 60.49 3i7p s ILE 587 Cb -0.12 -3.66 -0.01 0.00 -0.00 0.00 0.00 42.46 38.67 3i7p s ILE 587 CO 0.01 -0.63 1.74 -2.16 -0.00 0.00 0.00 174.94 173.90 3i7p s PRO 588 N -4.80 2.99 0.27 0.37 0.04 -1.26 -2.89 135.00 129.72 3i7p s PRO 588 Ca 0.50 0.82 -0.03 0.00 0.04 0.00 0.00 61.00 62.33 3i7p s PRO 588 Cb -0.10 -4.27 0.35 0.00 0.04 0.00 0.00 34.50 30.52 3i7p s PRO 588 CO 0.44 -2.29 1.83 -0.09 0.04 0.00 0.00 177.00 176.93 3i7p h ARG 589 N 13.46 0.94 -3.27 4.56 1.12 -1.43 -3.40 114.38 126.36 3i7p h ARG 589 Ca -0.28 -0.17 -0.20 0.00 -1.11 0.00 0.00 59.98 58.21 3i7p h ARG 589 Cb 1.15 -0.15 -0.28 0.00 -0.01 0.00 0.00 29.97 30.67 3i7p h ARG 589 CO 1.15 0.80 -0.54 0.45 -3.11 0.00 0.00 179.97 178.72 3i7p s SER 590 N -6.50 -0.17 0.05 -3.80 0.15 -0.85 -4.74 113.70 97.85 3i7p s SER 590 Ca -0.11 0.35 0.07 0.00 0.70 0.00 0.00 55.95 56.96 3i7p s SER 590 Cb 0.16 0.30 -0.03 0.00 -1.71 0.00 0.00 66.02 64.74 3i7p s SER 590 CO 0.81 -0.10 -0.19 -0.51 1.20 0.00 0.00 173.24 174.45 3i7p s ILE 591 N 0.57 1.56 -0.21 6.45 1.10 -1.26 0.10 121.20 129.51 3i7p s ILE 591 Ca -0.04 -1.22 -0.17 0.00 -0.51 0.00 0.00 60.65 58.71 3i7p s ILE 591 Cb -0.05 -1.37 0.06 0.00 0.15 0.00 0.00 42.46 41.24 3i7p s ILE 591 CO -0.03 0.11 0.54 -0.22 -2.11 0.00 0.00 174.94 173.23 3i7p s LEU 592 N -1.31 -0.15 -0.21 8.50 2.96 -0.09 -4.35 118.68 124.04 3i7p s LEU 592 Ca 0.06 1.10 -0.08 0.00 -0.22 0.00 0.00 54.13 54.99 3i7p s LEU 592 Cb -0.09 1.83 -0.04 0.00 0.50 0.00 0.00 46.19 48.39 3i7p s LEU 592 CO 0.02 -0.19 0.09 0.00 -1.32 0.00 0.00 176.35 174.94 3i7p s MET 593 N 0.57 3.93 0.29 1.98 0.23 -1.25 -0.76 119.30 124.29 3i7p s MET 593 Ca -0.02 -0.35 0.04 0.00 -1.03 0.00 0.00 55.69 54.32 3i7p s MET 593 Cb -0.05 -3.31 -0.04 0.00 -1.53 0.00 0.00 34.83 29.91 3i7p s MET 593 CO -0.03 0.14 0.19 0.95 -2.03 0.00 0.00 175.02 174.24 3i7p s THR 594 N 0.77 0.14 0.03 3.16 -4.23 0.23 -4.87 115.64 110.87 3i7p s THR 594 Ca 0.04 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.43 3i7p s THR 594 Cb -0.13 -2.50 0.01 0.00 1.34 0.00 0.00 72.50 71.22 3i7p s THR 594 CO 0.02 0.00 0.26 -0.89 -0.54 0.00 0.00 174.62 173.47 3i7p s THR 595 N -3.68 0.09 0.27 3.99 2.01 -1.26 0.71 115.64 117.77 3i7p s THR 595 Ca 0.38 -0.72 0.00 0.00 0.31 0.00 0.00 61.69 61.65 3i7p s THR 595 Cb 0.04 -0.85 0.00 0.00 0.01 0.00 0.00 72.50 71.71 3i7p s THR 595 CO 0.20 -0.40 0.00 0.49 -0.69 0.00 0.00 174.62 174.22 3i7p n PHE 596 N 0.78 -2.49 0.00 4.92 3.01 -1.26 -4.96 117.46 117.47 3i7p n PHE 596 Ca -0.19 0.49 0.00 0.00 1.01 0.00 0.00 57.45 58.76 3i7p n PHE 596 Cb 0.58 0.82 0.00 0.00 -0.01 0.00 0.00 39.48 40.88 3i7p n PHE 596 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 3i7p n GLU 597 N -3.37 0.00 -3.40 -1.08 4.71 -1.26 -4.90 120.64 111.34 3i7p n GLU 597 Ca 0.00 0.00 -0.37 0.00 -0.01 0.00 0.00 57.16 56.78 3i7p n GLU 597 Cb 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 31.44 30.39 3i7p n GLU 597 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 3i7p n SER 598 N 0.00 4.89 0.00 1.62 7.64 -1.26 -4.91 113.62 121.60 3i7p n SER 598 Ca 0.00 -3.25 0.00 0.00 1.01 0.00 0.00 58.87 56.63 3i7p n SER 598 Cb 0.00 -1.09 0.00 0.00 -1.01 0.00 0.00 64.21 62.11 3i7p n SER 598 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 3i7p n SER 599 N 1.83 0.00 -4.88 6.43 2.88 -1.26 -5.16 113.62 113.46 3i7p n SER 599 Ca 0.25 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.47 3i7p n SER 599 Cb 0.37 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.78 3i7p n SER 599 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 3i7p s HIS 600 N -0.50 3.43 -0.02 0.66 0.09 -1.26 -4.03 115.29 113.66 3i7p s HIS 600 Ca 0.00 0.81 0.06 0.00 -0.00 0.00 0.00 55.06 55.93 3i7p s HIS 600 Cb 0.00 -2.21 -0.01 0.00 -0.00 0.00 0.00 32.58 30.35 3i7p s HIS 600 CO 0.00 0.29 -0.20 0.71 -0.00 0.00 0.00 174.74 175.54 3i7p s TYR 601 N -1.81 1.79 -0.08 1.40 1.51 0.22 -1.83 117.35 118.56 3i7p s TYR 601 Ca 0.46 -0.35 0.02 0.00 -1.01 0.00 0.00 57.07 56.20 3i7p s TYR 601 Cb -0.11 -1.16 0.01 0.00 -0.11 0.00 0.00 41.96 40.59 3i7p s TYR 601 CO 0.22 -0.04 -0.15 -1.17 -1.11 0.00 0.00 175.55 173.31 3i7p s LEU 602 N -0.44 1.72 0.08 -1.29 0.20 -0.21 -0.60 118.68 118.15 3i7p s LEU 602 Ca 0.07 -0.37 0.06 0.00 0.69 0.00 0.00 54.13 54.58 3i7p s LEU 602 Cb -0.08 -0.98 -0.03 0.00 -0.43 0.00 0.00 46.19 44.67 3i7p s LEU 602 CO -0.01 0.05 -0.17 -0.76 -0.29 0.00 0.00 176.35 175.17 3i7p s LEU 603 N 0.71 2.27 -0.19 -0.68 1.02 0.06 -0.69 118.68 121.17 3i7p s LEU 603 Ca -0.13 -0.63 -0.05 0.00 0.02 0.00 0.00 54.13 53.34 3i7p s LEU 603 Cb -0.16 -0.66 0.07 0.00 0.02 0.00 0.00 46.19 45.46 3i7p s LEU 603 CO 0.03 -0.02 0.10 0.00 0.02 0.00 0.00 176.35 176.48 3i7p s ALA 605 N 2.13 3.32 0.49 0.00 0.00 0.29 -1.64 121.76 126.34 3i7p s ALA 605 Ca 0.03 0.45 0.07 0.00 0.00 0.00 0.00 51.96 52.51 3i7p s ALA 605 Cb -0.16 -3.13 0.01 0.00 0.00 0.00 0.00 23.12 19.84 3i7p s ALA 605 CO -0.14 0.07 0.40 -0.51 0.00 0.00 0.00 175.76 175.58 3i7p s LEU 606 N -0.27 3.00 0.00 0.00 1.43 -0.75 -1.21 118.68 120.88 3i7p s LEU 606 Ca 0.42 -1.03 0.29 0.00 -1.03 0.00 0.00 54.13 52.77 3i7p s LEU 606 Cb -0.23 -1.54 1.25 0.00 0.03 0.00 0.00 46.19 45.70 3i7p s LEU 606 CO 0.27 -0.91 1.87 0.61 0.23 0.00 0.00 176.35 178.42 3i7p n GLY 607 N -1.67 -0.87 0.93 -3.19 0.00 -1.14 -3.24 105.19 96.02 3i7p n GLY 607 Ca 0.01 -0.28 0.04 0.00 0.00 0.00 0.00 46.02 45.80 3i7p n GLY 607 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3i7p n ASP 608 N -0.87 2.65 0.00 1.61 3.85 -1.25 -3.08 116.55 119.46 3i7p n ASP 608 Ca 0.15 -2.24 0.00 0.00 -0.71 0.00 0.00 54.79 51.99 3i7p n ASP 608 Cb 0.27 -0.43 0.00 0.00 -1.35 0.00 0.00 41.12 39.62 3i7p n ASP 608 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3i7p n GLY 609 N 0.66 3.06 3.95 6.12 0.00 0.78 -4.52 105.19 115.23 3i7p n GLY 609 Ca 0.13 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.90 3i7p n GLY 609 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i7p s ALA 610 N -1.77 3.83 -0.00 4.61 0.00 -1.26 -2.43 121.76 124.74 3i7p s ALA 610 Ca 0.00 -0.99 0.03 0.00 0.00 0.00 0.00 51.96 51.00 3i7p s ALA 610 Cb 0.00 -1.94 -0.01 0.00 0.00 0.00 0.00 23.12 21.17 3i7p s ALA 610 CO 0.00 0.24 -0.10 -1.17 0.00 0.00 0.00 175.76 174.72 3i7p s LEU 611 N -3.83 2.04 -0.12 0.00 0.20 -1.25 -1.82 118.68 113.90 3i7p s LEU 611 Ca 0.37 -0.22 -0.04 0.00 0.69 0.00 0.00 54.13 54.93 3i7p s LEU 611 Cb -0.10 -0.52 -0.03 0.00 -0.43 0.00 0.00 46.19 45.11 3i7p s LEU 611 CO 0.31 0.11 0.01 -0.36 -0.29 0.00 0.00 176.35 176.13 3i7p s PHE 612 N -0.33 3.18 -0.04 5.38 0.40 -0.65 -1.87 117.98 124.05 3i7p s PHE 612 Ca 0.03 0.09 0.03 0.00 -0.60 0.00 0.00 56.93 56.48 3i7p s PHE 612 Cb -0.04 -1.90 0.00 0.00 0.51 0.00 0.00 43.02 41.59 3i7p s PHE 612 CO -0.00 0.31 -0.13 1.52 0.70 0.00 0.00 175.22 177.62 3i7p s TYR 613 N -0.36 1.35 0.07 0.36 1.13 -1.23 -1.09 117.35 117.58 3i7p s TYR 613 Ca 0.07 -0.39 -0.06 0.00 -1.41 0.00 0.00 57.07 55.29 3i7p s TYR 613 Cb -0.12 -0.94 -0.02 0.00 -1.10 0.00 0.00 41.96 39.78 3i7p s TYR 613 CO 0.02 -0.15 0.11 -0.06 -2.51 0.00 0.00 175.55 172.96 3i7p s PHE 614 N 0.20 0.28 -0.21 -3.49 0.40 0.13 -4.25 117.98 111.04 3i7p s PHE 614 Ca -0.05 -0.74 0.00 0.00 -0.60 0.00 0.00 56.93 55.54 3i7p s PHE 614 Cb -0.11 -0.18 0.02 0.00 0.51 0.00 0.00 43.02 43.27 3i7p s PHE 614 CO 0.02 -0.48 -0.15 0.20 0.70 0.00 0.00 175.22 175.51 3i7p s GLY 615 N -2.83 1.49 0.00 4.36 0.00 -1.26 -1.04 107.32 108.04 3i7p s GLY 615 Ca 0.05 -1.33 0.00 0.00 0.00 0.00 0.00 44.72 43.44 3i7p s GLY 615 CO -0.10 0.38 0.00 -0.10 0.00 0.00 0.00 173.10 173.28 3i7p n LEU 616 N 4.62 0.00 -3.23 0.66 7.94 -0.76 -4.04 117.00 122.19 3i7p n LEU 616 Ca -0.19 0.00 -0.02 0.00 -1.11 0.00 0.00 56.01 54.69 3i7p n LEU 616 Cb 0.49 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.40 3i7p n LEU 616 CO 0.26 -0.04 0.02 0.20 -1.11 0.00 0.00 177.39 176.72 3i7p s ASN 617 N -1.00 -0.63 0.52 1.96 0.01 -1.26 -4.40 114.94 110.14 3i7p s ASN 617 Ca 0.00 -0.01 0.38 0.00 -0.71 0.00 0.00 52.86 52.52 3i7p s ASN 617 Cb 0.00 1.59 1.55 0.00 0.41 0.00 0.00 41.25 44.80 3i7p s ASN 617 CO 0.00 -0.32 1.73 0.16 -1.51 0.00 0.00 177.10 177.16 3i7p h ILE 618 N 6.08 0.29 0.00 0.60 3.07 -2.00 -3.26 117.51 122.29 3i7p h ILE 618 Ca -0.07 -0.02 0.00 0.00 1.55 0.00 0.00 64.86 66.32 3i7p h ILE 618 Cb 1.16 0.24 0.00 0.00 -0.27 0.00 0.00 36.82 37.95 3i7p h ILE 618 CO 0.21 0.01 0.00 -0.62 -1.05 0.00 0.00 178.15 176.70 3i7p n GLU 619 N -4.21 0.00 0.00 0.16 -0.58 -1.26 -4.81 120.64 109.94 3i7p n GLU 619 Ca 0.31 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.05 3i7p n GLU 619 Cb 1.43 -0.19 0.00 0.00 -0.57 0.00 0.00 31.44 32.11 3i7p n GLU 619 CO 0.00 0.00 0.00 -2.37 -0.48 0.00 0.00 177.13 174.28 3i7p n THR 620 N -1.12 0.00 0.00 2.62 5.66 -1.23 -5.06 114.28 115.15 3i7p n THR 620 Ca 0.00 0.66 0.00 0.00 -3.05 0.00 0.00 64.05 61.66 3i7p n THR 620 Cb 0.00 -1.39 0.00 0.00 -1.55 0.00 0.00 70.33 67.39 3i7p n THR 620 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3i7p n GLY 621 N 0.40 0.45 0.00 1.09 0.00 -1.24 -5.01 105.19 100.89 3i7p n GLY 621 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.31 3i7p n GLY 621 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i7p n LEU 622 N 0.00 0.00 -3.97 0.99 4.77 -1.26 -4.48 117.00 113.05 3i7p n LEU 622 Ca 0.00 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.69 3i7p n LEU 622 Cb 0.00 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 40.92 3i7p n LEU 622 CO 0.00 0.00 -0.47 -0.22 -1.33 0.00 0.00 177.39 175.37 3i7p s LEU 623 N 0.00 1.58 0.00 2.23 0.20 -1.26 -4.88 118.68 116.55 3i7p s LEU 623 Ca 0.00 -0.48 0.00 0.00 0.69 0.00 0.00 54.13 54.34 3i7p s LEU 623 Cb 0.00 -1.06 0.00 0.00 -0.43 0.00 0.00 46.19 44.70 3i7p s LEU 623 CO 0.00 -0.09 0.00 -1.54 -0.29 0.00 0.00 176.35 174.43 3i7p n SER 624 N 4.82 0.00 0.00 3.68 3.41 -1.26 -5.03 113.62 119.25 3i7p n SER 624 Ca -0.15 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.46 3i7p n SER 624 Cb 0.50 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 3i7p n SER 624 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3i7p n ASP 625 N 0.00 0.00 0.00 4.04 9.92 -1.26 -4.99 116.55 124.26 3i7p n ASP 625 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 3i7p n ASP 625 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 3i7p n ASP 625 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 3i7p n ARG 626 N 0.00 0.00 -4.06 -1.24 0.63 -1.26 -5.00 116.66 105.73 3i7p n ARG 626 Ca 0.00 0.00 -0.13 0.00 -0.92 0.00 0.00 57.85 56.80 3i7p n ARG 626 Cb 0.00 0.00 -0.04 0.00 0.45 0.00 0.00 32.46 32.87 3i7p n ARG 626 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 3i7p s LYS 627 N 0.00 1.83 -0.22 -0.14 1.02 -1.26 -4.97 119.74 115.99 3i7p s LYS 627 Ca 0.00 -1.64 -0.03 0.00 0.02 0.00 0.00 55.97 54.32 3i7p s LYS 627 Cb 0.00 0.45 0.11 0.00 -0.52 0.00 0.00 37.83 37.87 3i7p s LYS 627 CO 0.00 -0.76 0.27 0.21 -0.92 0.00 0.00 175.35 174.15 3i7p s LYS 628 N -3.23 0.25 0.00 1.68 2.20 -1.26 -3.53 119.74 115.85 3i7p s LYS 628 Ca 0.29 0.25 0.00 0.00 -0.36 0.00 0.00 55.97 56.14 3i7p s LYS 628 Cb -0.00 -0.97 0.00 0.00 -1.51 0.00 0.00 37.83 35.35 3i7p s LYS 628 CO 0.17 -0.70 0.00 1.33 -0.36 0.00 0.00 175.35 175.80 3i7p n VAL 629 N 5.33 0.00 -2.70 4.02 0.24 -0.78 -4.90 118.33 119.54 3i7p n VAL 629 Ca -0.05 0.00 -0.06 0.00 -2.04 0.00 0.00 64.34 62.20 3i7p n VAL 629 Cb 0.49 -0.64 0.09 0.00 -1.47 0.00 0.00 33.84 32.31 3i7p n VAL 629 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 3i7p n THR 630 N 0.00 0.00 0.00 3.34 5.66 -1.26 -3.94 114.28 118.08 3i7p n THR 630 Ca 0.00 -1.04 0.00 0.00 -3.05 0.00 0.00 64.05 59.96 3i7p n THR 630 Cb 0.00 1.27 0.00 0.00 -1.55 0.00 0.00 70.33 70.05 3i7p n THR 630 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 3i7p n LEU 631 N 0.68 0.00 -4.72 1.09 4.77 -1.02 -4.76 117.00 113.05 3i7p n LEU 631 Ca 0.01 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.57 3i7p n LEU 631 Cb 0.72 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.78 3i7p n LEU 631 CO -0.04 0.00 1.23 -0.83 -1.33 0.00 0.00 177.39 176.42 3i7p s GLY 632 N 0.00 1.56 0.11 -0.72 0.00 -1.26 -4.69 107.32 102.33 3i7p s GLY 632 Ca 0.00 1.38 -0.20 0.00 0.00 0.00 0.00 44.72 45.90 3i7p s GLY 632 CO 0.00 2.64 1.04 -1.30 0.00 0.00 0.00 173.10 175.48 3i7p n THR 633 N 3.95 -0.45 -1.51 0.90 -2.24 -1.26 -3.25 114.28 110.42 3i7p n THR 633 Ca 0.14 1.63 -0.38 0.00 -2.27 0.00 0.00 64.05 63.16 3i7p n THR 633 Cb 0.38 -2.02 0.04 0.00 -2.10 0.00 0.00 70.33 66.63 3i7p n THR 633 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i7p n GLN 634 N -4.86 0.62 -1.53 -0.78 1.13 -1.26 0.27 117.38 110.98 3i7p n GLN 634 Ca 0.02 0.24 -0.40 0.00 -1.94 0.00 0.00 57.00 54.92 3i7p n GLN 634 Cb 0.18 -1.82 0.03 0.00 0.11 0.00 0.00 30.24 28.74 3i7p n GLN 634 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 3i7p n PRO 635 N -0.28 0.83 -4.31 -1.09 -0.04 -1.18 -3.51 135.00 125.42 3i7p n PRO 635 Ca 0.12 0.31 -0.34 0.00 -0.04 0.00 0.00 63.50 63.55 3i7p n PRO 635 Cb 0.47 -1.84 -0.12 0.00 -0.04 0.00 0.00 33.50 31.98 3i7p n PRO 635 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 3i7p s THR 636 N -1.50 4.03 -0.43 0.52 2.01 -1.25 -4.58 115.64 114.44 3i7p s THR 636 Ca 0.67 -0.31 -0.15 0.00 0.31 0.00 0.00 61.69 62.22 3i7p s THR 636 Cb -0.51 -2.78 0.04 0.00 0.01 0.00 0.00 72.50 69.27 3i7p s THR 636 CO 0.55 0.48 0.33 -0.69 -0.69 0.00 0.00 174.62 174.60 3i7p s VAL 637 N 0.42 5.16 0.28 3.82 1.01 -0.60 -4.40 120.40 126.09 3i7p s VAL 637 Ca -0.03 -0.87 -0.23 0.00 0.00 0.00 0.00 61.98 60.86 3i7p s VAL 637 Cb -0.14 -3.97 -0.09 0.00 0.00 0.00 0.00 36.38 32.18 3i7p s VAL 637 CO 0.02 -0.42 0.84 -0.76 0.00 0.00 0.00 175.10 174.79 3i7p s LEU 638 N 1.65 4.33 0.25 3.92 1.43 -1.26 -1.80 118.68 127.19 3i7p s LEU 638 Ca 0.04 1.63 -0.22 0.00 -1.03 0.00 0.00 54.13 54.56 3i7p s LEU 638 Cb -0.21 -3.83 0.03 0.00 0.03 0.00 0.00 46.19 42.21 3i7p s LEU 638 CO 0.08 -0.03 0.78 -0.60 0.23 0.00 0.00 176.35 176.81 3i7p s ARG 639 N -2.06 1.65 -0.04 1.70 6.06 -0.92 -5.01 118.95 120.34 3i7p s ARG 639 Ca 0.47 -0.91 0.04 0.00 -2.50 0.00 0.00 55.73 52.83 3i7p s ARG 639 Cb -0.17 0.56 -0.00 0.00 0.06 0.00 0.00 34.95 35.40 3i7p s ARG 639 CO 0.22 -0.75 -0.16 0.99 -2.50 0.00 0.00 175.30 173.10 3i7p s THR 640 N -3.77 1.30 0.31 4.11 2.01 -1.26 -1.15 115.64 117.19 3i7p s THR 640 Ca 0.11 -0.65 0.09 0.00 0.31 0.00 0.00 61.69 61.55 3i7p s THR 640 Cb -0.05 -1.12 -0.04 0.00 0.01 0.00 0.00 72.50 71.30 3i7p s THR 640 CO 0.06 0.38 0.09 0.72 -0.69 0.00 0.00 174.62 175.18 3i7p s PHE 641 N 0.03 2.73 -0.25 4.92 -0.12 -0.65 -4.50 117.98 120.15 3i7p s PHE 641 Ca -0.03 -0.31 -0.20 0.00 -0.05 0.00 0.00 56.93 56.35 3i7p s PHE 641 Cb -0.10 -1.47 -0.02 0.00 -0.63 0.00 0.00 43.02 40.80 3i7p s PHE 641 CO 0.02 0.45 0.59 0.50 -0.05 0.00 0.00 175.22 176.73 3i7p s ARG 642 N -3.78 4.11 0.00 1.99 3.52 -1.26 -3.29 118.95 120.24 3i7p s ARG 642 Ca 0.35 0.49 0.00 0.00 -0.13 0.00 0.00 55.73 56.44 3i7p s ARG 642 Cb -0.04 -3.64 0.00 0.00 -1.56 0.00 0.00 34.95 29.71 3i7p s ARG 642 CO 0.22 -0.36 0.00 -1.13 -0.81 0.00 0.00 175.30 173.21 3i7p n SER 643 N 5.54 0.00 0.00 -2.12 3.41 -1.26 -4.96 113.62 114.23 3i7p n SER 643 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 3i7p n SER 643 Cb 0.49 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 3i7p n SER 643 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i7p n LEU 644 N -0.65 0.00 -0.31 1.04 -0.00 -1.26 -5.01 117.00 110.81 3i7p n LEU 644 Ca 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 56.01 56.11 3i7p n LEU 644 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.38 3i7p n LEU 644 CO 0.00 0.00 0.18 -1.54 -0.00 0.00 0.00 177.39 176.03 3i7p n SER 645 N 0.00 1.61 -2.27 1.45 3.41 -1.26 -4.26 113.62 112.30 3i7p n SER 645 Ca 0.00 -1.31 -0.21 0.00 -0.26 0.00 0.00 58.87 57.09 3i7p n SER 645 Cb 0.00 0.66 0.02 0.00 -0.26 0.00 0.00 64.21 64.63 3i7p n SER 645 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3i7p n THR 646 N -0.54 2.25 -1.21 6.66 -2.24 -1.26 -5.07 114.28 112.87 3i7p n THR 646 Ca 0.07 -4.19 -0.47 0.00 -2.27 0.00 0.00 64.05 57.18 3i7p n THR 646 Cb 0.40 -0.79 -0.06 0.00 -2.10 0.00 0.00 70.33 67.78 3i7p n THR 646 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3i7p n THR 647 N -0.60 0.14 -3.80 4.28 -2.24 -1.26 -4.90 114.28 105.90 3i7p n THR 647 Ca 0.36 -0.03 -0.02 0.00 -2.27 0.00 0.00 64.05 62.09 3i7p n THR 647 Cb 0.86 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 69.09 3i7p n THR 647 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3i7p n ASN 648 N 1.25 1.63 -4.34 3.42 3.02 -1.21 -4.86 115.26 114.18 3i7p n ASN 648 Ca 0.16 -1.12 -0.39 0.00 -0.03 0.00 0.00 54.58 53.20 3i7p n ASN 648 Cb 0.08 0.01 -0.12 0.00 -0.61 0.00 0.00 39.78 39.14 3i7p n ASN 648 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3i7p s VAL 649 N -0.67 4.26 -0.17 2.41 1.01 -0.48 -1.63 120.40 125.13 3i7p s VAL 649 Ca 0.01 -0.91 -0.14 0.00 0.00 0.00 0.00 61.98 60.94 3i7p s VAL 649 Cb -0.00 -3.36 -0.05 0.00 0.00 0.00 0.00 36.38 32.97 3i7p s VAL 649 CO 0.01 -0.17 0.30 0.12 0.00 0.00 0.00 175.10 175.35 3i7p s PHE 650 N 1.50 3.45 -0.18 5.22 5.36 -0.30 0.13 117.98 133.15 3i7p s PHE 650 Ca 0.01 0.59 -0.01 0.00 -0.96 0.00 0.00 56.93 56.56 3i7p s PHE 650 Cb -0.19 -2.35 0.00 0.00 -0.34 0.00 0.00 43.02 40.14 3i7p s PHE 650 CO 0.05 0.21 -0.13 0.00 -1.46 0.00 0.00 175.22 173.89 3i7p s ALA 651 N 0.55 2.55 -0.49 11.12 0.00 0.23 -2.16 121.76 133.57 3i7p s ALA 651 Ca 0.16 -1.13 -0.16 0.00 0.00 0.00 0.00 51.96 50.84 3i7p s ALA 651 Cb -0.13 -1.36 0.09 0.00 0.00 0.00 0.00 23.12 21.72 3i7p s ALA 651 CO 0.04 -0.24 0.44 0.00 0.00 0.00 0.00 175.76 176.00 3i7p n SER 653 N 5.28 1.92 0.28 0.00 7.64 -1.24 -1.56 113.62 125.93 3i7p n SER 653 Ca -0.13 -0.86 0.16 0.00 1.01 0.00 0.00 58.87 59.06 3i7p n SER 653 Cb 0.43 0.00 0.72 0.00 -1.01 0.00 0.00 64.21 64.35 3i7p n SER 653 CO 0.00 0.00 0.00 -2.24 -3.01 0.00 0.00 175.04 169.79 3i7p h ASP 654 N 0.00 0.00 -2.91 6.43 2.03 -1.81 -3.06 116.42 117.11 3i7p h ASP 654 Ca 0.00 0.00 -0.62 0.00 -0.73 0.00 0.00 57.03 55.68 3i7p h ASP 654 Cb 0.00 0.00 -0.42 0.00 -0.83 0.00 0.00 39.33 38.08 3i7p h ASP 654 CO 0.00 0.05 -0.56 -1.14 -1.03 0.00 0.00 179.24 176.56 3i7p n ARG 655 N -3.19 2.01 -1.60 4.15 0.63 -1.26 -4.44 116.66 112.95 3i7p n ARG 655 Ca -0.00 -4.53 -0.41 0.00 -0.92 0.00 0.00 57.85 51.99 3i7p n ARG 655 Cb 0.29 -2.29 0.02 0.00 0.45 0.00 0.00 32.46 30.93 3i7p n ARG 655 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 3i7p n PRO 656 N 1.73 1.22 -3.70 -0.14 -0.04 -1.26 -4.34 135.00 128.48 3i7p n PRO 656 Ca 0.22 0.44 -0.11 0.00 -0.04 0.00 0.00 63.50 64.01 3i7p n PRO 656 Cb 0.36 -2.03 -0.10 0.00 -0.04 0.00 0.00 33.50 31.69 3i7p n PRO 656 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 3i7p s THR 657 N -1.34 -0.02 0.01 0.52 2.01 -0.43 -1.95 115.64 114.45 3i7p s THR 657 Ca 0.65 0.06 -0.11 0.00 0.31 0.00 0.00 61.69 62.59 3i7p s THR 657 Cb -0.53 -0.65 -0.05 0.00 0.01 0.00 0.00 72.50 71.27 3i7p s THR 657 CO 0.55 0.02 0.35 -0.69 -0.69 0.00 0.00 174.62 174.17 3i7p s VAL 658 N 1.05 5.15 -0.37 3.82 1.01 -0.93 0.78 120.40 130.90 3i7p s VAL 658 Ca -0.07 0.57 -0.02 0.00 0.00 0.00 0.00 61.98 62.46 3i7p s VAL 658 Cb -0.06 -3.63 0.09 0.00 0.00 0.00 0.00 36.38 32.78 3i7p s VAL 658 CO -0.09 0.48 0.14 -0.63 0.00 0.00 0.00 175.10 175.00 3i7p s ILE 659 N -1.19 3.17 0.00 2.22 1.01 0.34 -2.74 121.20 124.02 3i7p s ILE 659 Ca 0.25 -1.87 0.00 0.00 0.00 0.00 0.00 60.65 59.03 3i7p s ILE 659 Cb -0.15 -3.09 0.00 0.00 0.01 0.00 0.00 42.46 39.24 3i7p s ILE 659 CO 0.14 -0.52 0.00 -1.22 0.00 0.00 0.00 174.94 173.33 3i7p n TYR 660 N 4.59 0.00 -3.67 3.97 4.02 -0.61 -1.39 117.16 124.07 3i7p n TYR 660 Ca -0.05 0.00 -0.19 0.00 -0.01 0.00 0.00 57.90 57.65 3i7p n TYR 660 Cb 0.42 0.00 -0.17 0.00 -0.02 0.00 0.00 39.34 39.57 3i7p n TYR 660 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 3i7p s SER 661 N -1.00 0.98 0.00 7.72 0.01 -1.26 -2.36 113.70 117.79 3i7p s SER 661 Ca 0.00 0.17 0.00 0.00 1.31 0.00 0.00 55.95 57.43 3i7p s SER 661 Cb 0.00 0.01 0.00 0.00 0.21 0.00 0.00 66.02 66.24 3i7p s SER 661 CO 0.00 -0.25 0.00 -0.24 0.41 0.00 0.00 173.24 173.16 3i7p n SER 662 N 5.28 0.00 0.36 2.44 2.88 -1.26 -4.60 113.62 118.73 3i7p n SER 662 Ca -0.04 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.31 3i7p n SER 662 Cb 0.50 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.86 3i7p n SER 662 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 3i7p h ASN 663 N 0.00 -1.29 0.00 -3.46 2.35 -1.97 -3.38 115.58 107.83 3i7p h ASN 663 Ca 0.00 0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 3i7p h ASN 663 Cb 0.00 0.40 0.00 0.00 0.05 0.00 0.00 38.32 38.77 3i7p h ASN 663 CO 0.00 -0.70 0.00 1.57 -1.65 0.00 0.00 177.43 176.65 3i7p n HIS 664 N -5.59 0.00 0.00 1.19 -0.00 -1.26 -4.96 115.22 104.60 3i7p n HIS 664 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.59 3i7p n HIS 664 Cb 0.48 0.05 0.00 0.00 -0.00 0.00 0.00 29.99 30.52 3i7p n HIS 664 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 3i7p n LYS 665 N 0.00 0.00 0.00 1.57 5.02 -1.26 -4.94 118.16 118.55 3i7p n LYS 665 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3i7p n LYS 665 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.49 3i7p n LYS 665 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3i7p n LEU 666 N 0.00 0.00 -4.81 -0.35 4.77 -1.26 -4.12 117.00 111.22 3i7p n LEU 666 Ca 0.00 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.65 3i7p n LEU 666 Cb 0.00 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.08 3i7p n LEU 666 CO 0.00 0.00 0.71 -0.69 -1.33 0.00 0.00 177.39 176.08 3i7p s VAL 667 N 0.00 4.03 -0.40 4.08 1.01 -1.00 -4.54 120.40 123.58 3i7p s VAL 667 Ca 0.00 1.00 0.11 0.00 0.00 0.00 0.00 61.98 63.08 3i7p s VAL 667 Cb 0.00 -3.49 0.43 0.00 0.00 0.00 0.00 36.38 33.32 3i7p s VAL 667 CO 0.00 -0.53 1.01 0.49 0.00 0.00 0.00 175.10 176.07 3i7p n PHE 668 N -1.78 2.30 -3.22 5.22 3.01 -1.26 -1.57 117.46 120.17 3i7p n PHE 668 Ca 0.08 -3.09 -0.32 0.00 1.01 0.00 0.00 57.45 55.14 3i7p n PHE 668 Cb 0.53 -0.26 -0.05 0.00 -0.01 0.00 0.00 39.48 39.69 3i7p n PHE 668 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 3i7p s SER 669 N -3.29 6.65 0.54 4.37 0.01 -1.11 -4.93 113.70 115.93 3i7p s SER 669 Ca 0.39 1.07 -0.21 0.00 1.31 0.00 0.00 55.95 58.51 3i7p s SER 669 Cb 0.41 -2.29 -0.05 0.00 0.21 0.00 0.00 66.02 64.30 3i7p s SER 669 CO -0.08 -0.18 1.22 0.20 0.41 0.00 0.00 173.24 174.81 3i7p s ASN 670 N -2.53 5.55 -0.16 2.44 0.01 -1.26 -2.19 114.94 116.79 3i7p s ASN 670 Ca 0.50 2.44 -0.07 0.00 -0.71 0.00 0.00 52.86 55.02 3i7p s ASN 670 Cb -0.11 -2.61 -0.04 0.00 0.41 0.00 0.00 41.25 38.90 3i7p s ASN 670 CO 0.22 -1.35 0.09 -0.69 -1.51 0.00 0.00 177.10 173.85 3i7p s VAL 671 N -1.52 5.01 -1.41 1.60 1.01 -0.82 -0.44 120.40 123.83 3i7p s VAL 671 Ca 0.71 0.04 -0.14 0.00 0.00 0.00 0.00 61.98 62.59 3i7p s VAL 671 Cb -0.32 -3.24 0.06 0.00 0.00 0.00 0.00 36.38 32.89 3i7p s VAL 671 CO 0.37 0.50 2.11 0.59 0.00 0.00 0.00 175.10 178.67 3i7p n ASN 672 N 3.08 4.17 -3.84 3.32 3.02 0.27 -4.61 115.26 120.67 3i7p n ASN 672 Ca -0.17 -2.88 -0.10 0.00 -0.03 0.00 0.00 54.58 51.40 3i7p n ASN 672 Cb 0.53 -1.65 -0.08 0.00 -0.61 0.00 0.00 39.78 37.97 3i7p n ASN 672 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3i7p s LEU 673 N 2.25 1.35 0.03 3.41 1.43 -1.26 -4.54 118.68 121.36 3i7p s LEU 673 Ca 0.47 -0.46 -0.10 0.00 -1.03 0.00 0.00 54.13 53.01 3i7p s LEU 673 Cb 0.12 1.01 -0.05 0.00 0.03 0.00 0.00 46.19 47.30 3i7p s LEU 673 CO -0.05 -0.62 1.17 0.50 0.23 0.00 0.00 176.35 177.57 3i7p h LYS 674 N 3.20 -0.24 -1.61 1.70 1.63 -1.93 -3.43 116.57 115.89 3i7p h LYS 674 Ca -0.33 0.02 0.08 0.00 -0.85 0.00 0.00 60.65 59.57 3i7p h LYS 674 Cb 1.19 0.05 -0.26 0.00 -0.60 0.00 0.00 32.23 32.62 3i7p h LYS 674 CO 0.51 -0.16 0.38 -2.00 -3.45 0.00 0.00 179.45 174.73 3i7p s GLU 675 N -3.83 0.47 -0.06 1.90 2.12 -1.26 -4.81 118.70 113.22 3i7p s GLU 675 Ca -0.05 0.68 0.06 0.00 0.36 0.00 0.00 54.97 56.02 3i7p s GLU 675 Cb 0.02 0.17 -0.01 0.00 0.26 0.00 0.00 34.13 34.56 3i7p s GLU 675 CO 0.18 -0.08 -0.24 0.08 -0.54 0.00 0.00 175.26 174.66 3i7p s VAL 676 N 0.83 1.99 -0.15 3.70 1.01 -1.15 -4.67 120.40 121.95 3i7p s VAL 676 Ca -0.03 -1.02 -0.11 0.00 0.00 0.00 0.00 61.98 60.81 3i7p s VAL 676 Cb -0.04 -1.69 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 3i7p s VAL 676 CO -0.11 0.55 -0.22 0.59 0.00 0.00 0.00 175.10 175.91 3i7p n ASN 677 N 3.03 1.81 -4.18 3.32 3.02 0.27 -3.62 115.26 118.91 3i7p n ASN 677 Ca -0.18 0.54 -0.11 0.00 -0.03 0.00 0.00 54.58 54.81 3i7p n ASN 677 Cb 0.52 -0.83 -0.10 0.00 -0.61 0.00 0.00 39.78 38.76 3i7p n ASN 677 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3i7p s TYR 678 N -2.41 0.95 -0.17 3.10 1.51 -1.21 -4.73 117.35 114.39 3i7p s TYR 678 Ca -0.18 -1.01 -0.26 0.00 -1.01 0.00 0.00 57.07 54.60 3i7p s TYR 678 Cb 0.03 -0.55 0.07 0.00 -0.11 0.00 0.00 41.96 41.39 3i7p s TYR 678 CO 0.27 -0.25 0.68 1.41 -1.11 0.00 0.00 175.55 176.55 3i7p s MET 679 N -3.90 0.90 -0.07 -0.62 -2.45 -1.25 -1.04 119.30 110.87 3i7p s MET 679 Ca 0.17 0.66 -0.15 0.00 -1.25 0.00 0.00 55.69 55.11 3i7p s MET 679 Cb 0.06 0.43 0.03 0.00 1.25 0.00 0.00 34.83 36.60 3i7p s MET 679 CO -0.02 -0.19 0.36 0.00 1.05 0.00 0.00 175.02 176.22 3i7p s PRO 681 N -0.71 3.84 0.25 0.00 0.02 -1.26 0.12 135.00 137.26 3i7p s PRO 681 Ca -0.08 2.51 0.01 0.00 0.02 0.00 0.00 61.00 63.45 3i7p s PRO 681 Cb -0.04 -2.78 -0.00 0.00 0.02 0.00 0.00 34.50 31.70 3i7p s PRO 681 CO 0.03 -0.72 0.31 -0.11 -0.33 0.00 0.00 177.00 176.18 3i7p n LEU 682 N 0.05 0.00 0.00 -5.54 7.94 0.15 -4.66 117.00 114.94 3i7p n LEU 682 Ca 0.03 -2.14 0.00 0.00 -1.11 0.00 0.00 56.01 52.80 3i7p n LEU 682 Cb 0.41 1.65 0.00 0.00 0.53 0.00 0.00 43.42 46.00 3i7p n LEU 682 CO 0.61 -0.45 0.00 -3.20 -1.11 0.00 0.00 177.39 173.25 3i7p n ASN 683 N -1.86 0.00 -4.57 1.96 5.15 -1.23 -1.73 115.26 112.98 3i7p n ASN 683 Ca 0.02 0.00 -0.28 0.00 -0.60 0.00 0.00 54.58 53.72 3i7p n ASN 683 Cb 0.43 0.00 0.21 0.00 -0.53 0.00 0.00 39.78 39.88 3i7p n ASN 683 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 3i7p s SER 684 N 0.00 1.94 -1.09 1.20 0.15 -1.17 -4.24 113.70 110.49 3i7p s SER 684 Ca 0.00 1.21 -0.21 0.00 0.70 0.00 0.00 55.95 57.66 3i7p s SER 684 Cb 0.00 -1.90 0.07 0.00 -1.71 0.00 0.00 66.02 62.49 3i7p s SER 684 CO 0.00 -3.56 1.48 1.51 1.20 0.00 0.00 173.24 173.86 3i7p s ASP 685 N -3.22 6.64 0.00 5.45 1.47 -1.26 -2.10 116.67 123.65 3i7p s ASP 685 Ca 0.67 -1.88 0.00 0.00 1.18 0.00 0.00 52.55 52.52 3i7p s ASP 685 Cb -0.20 -2.54 0.00 0.00 -0.34 0.00 0.00 42.92 39.84 3i7p s ASP 685 CO 0.60 -1.32 0.00 0.61 0.68 0.00 0.00 175.17 175.74 3i7p n GLY 686 N 6.16 0.62 2.71 2.12 0.00 -1.26 -3.99 105.19 111.54 3i7p n GLY 686 Ca 0.36 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.30 3i7p n GLY 686 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3i7p n TYR 687 N 0.00 -2.58 -0.74 1.61 4.01 -0.89 -4.58 117.16 113.98 3i7p n TYR 687 Ca 0.00 -1.97 -0.29 0.00 -0.16 0.00 0.00 57.90 55.48 3i7p n TYR 687 Cb 0.00 1.60 0.24 0.00 -0.31 0.00 0.00 39.34 40.88 3i7p n TYR 687 CO 0.00 0.00 0.00 -2.14 -0.46 0.00 0.00 176.86 174.26 3i7p s PRO 688 N 0.23 -1.24 -0.30 -0.72 0.02 -1.02 -3.04 135.00 128.92 3i7p s PRO 688 Ca 0.21 0.41 -0.01 0.00 0.02 0.00 0.00 61.00 61.63 3i7p s PRO 688 Cb 0.33 -1.55 0.00 0.00 0.02 0.00 0.00 34.50 33.30 3i7p s PRO 688 CO -0.07 -3.83 0.02 -3.47 -0.33 0.00 0.00 177.00 169.32 3i7p n ASP 689 N -4.93 0.05 -4.92 2.53 4.64 -1.26 -4.75 116.55 107.92 3i7p n ASP 689 Ca 0.07 -0.26 -0.28 0.00 -1.38 0.00 0.00 54.79 52.95 3i7p n ASP 689 Cb 0.57 -0.32 -0.03 0.00 -1.04 0.00 0.00 41.12 40.30 3i7p n ASP 689 CO 0.00 0.00 0.00 -0.55 -0.82 0.00 0.00 177.20 175.83 3i7p s SER 690 N -3.48 6.39 0.03 1.67 0.15 -0.70 -4.23 113.70 113.53 3i7p s SER 690 Ca 0.01 0.41 0.08 0.00 0.70 0.00 0.00 55.95 57.16 3i7p s SER 690 Cb -0.01 -2.01 -0.03 0.00 -1.71 0.00 0.00 66.02 62.26 3i7p s SER 690 CO 0.20 -0.03 -0.24 -0.76 1.20 0.00 0.00 173.24 173.61 3i7p s LEU 691 N -3.25 2.14 -0.07 3.45 1.43 -0.89 0.29 118.68 121.78 3i7p s LEU 691 Ca 0.39 -0.54 0.05 0.00 -1.03 0.00 0.00 54.13 53.00 3i7p s LEU 691 Cb -0.11 -1.20 -0.01 0.00 0.03 0.00 0.00 46.19 44.90 3i7p s LEU 691 CO 0.29 0.24 -0.22 0.00 0.23 0.00 0.00 176.35 176.89 3i7p s ALA 692 N -0.74 2.28 -0.14 4.21 0.00 0.32 -2.25 121.76 125.43 3i7p s ALA 692 Ca 0.10 -1.01 -0.04 0.00 0.00 0.00 0.00 51.96 51.01 3i7p s ALA 692 Cb -0.10 -0.80 0.07 0.00 0.00 0.00 0.00 23.12 22.29 3i7p s ALA 692 CO 0.01 0.39 0.19 -0.51 0.00 0.00 0.00 175.76 175.84 3i7p s LEU 693 N -0.08 -0.08 0.10 0.00 1.02 -0.75 0.18 118.68 119.06 3i7p s LEU 693 Ca -0.05 0.09 -0.15 0.00 0.02 0.00 0.00 54.13 54.04 3i7p s LEU 693 Cb -0.14 0.32 -0.06 0.00 0.02 0.00 0.00 46.19 46.33 3i7p s LEU 693 CO 0.04 -0.28 0.50 0.00 0.02 0.00 0.00 176.35 176.64 3i7p s ALA 694 N 2.31 3.62 0.00 4.21 0.00 -0.21 -2.13 121.76 129.57 3i7p s ALA 694 Ca 0.04 -0.15 0.00 0.00 0.00 0.00 0.00 51.96 51.85 3i7p s ALA 694 Cb -0.14 -2.48 0.00 0.00 0.00 0.00 0.00 23.12 20.50 3i7p s ALA 694 CO -0.09 0.47 0.00 0.27 0.00 0.00 0.00 175.76 176.41 3i7p n ASN 695 N 1.16 1.58 -0.41 0.00 6.94 -0.70 -0.56 115.26 123.26 3i7p n ASN 695 Ca -0.08 -0.55 0.40 0.00 -0.02 0.00 0.00 54.58 54.33 3i7p n ASN 695 Cb 0.52 0.00 0.73 0.00 -2.36 0.00 0.00 39.78 38.67 3i7p n ASN 695 CO 0.00 0.00 0.00 -1.13 -1.03 0.00 0.00 177.26 175.10 3i7p h ASN 696 N 0.00 0.00 -0.42 0.53 -1.24 -1.92 -3.33 115.58 109.20 3i7p h ASN 696 Ca 0.00 0.00 0.21 0.00 0.71 0.00 0.00 56.30 57.22 3i7p h ASN 696 Cb 0.00 0.00 -0.21 0.00 0.73 0.00 0.00 38.32 38.84 3i7p h ASN 696 CO 0.00 0.00 0.04 -0.94 -1.29 0.00 0.00 177.43 175.24 3i7p s SER 697 N -4.47 -0.61 0.00 1.15 1.04 -1.26 -4.17 113.70 105.39 3i7p s SER 697 Ca -0.05 0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.68 3i7p s SER 697 Cb 0.22 1.48 0.00 0.00 0.10 0.00 0.00 66.02 67.82 3i7p s SER 697 CO 0.77 -0.11 0.00 0.41 0.98 0.00 0.00 173.24 175.29 3i7p n THR 698 N 5.40 0.00 -3.09 2.02 -1.04 -1.22 -4.41 114.28 111.94 3i7p n THR 698 Ca -0.03 0.00 -0.38 0.00 -2.04 0.00 0.00 64.05 61.61 3i7p n THR 698 Cb 0.54 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.99 3i7p n THR 698 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 3i7p s LEU 699 N 0.00 4.48 0.18 -4.42 2.96 -0.02 -1.72 118.68 120.14 3i7p s LEU 699 Ca 0.00 1.48 -0.00 0.00 -0.22 0.00 0.00 54.13 55.38 3i7p s LEU 699 Cb 0.00 -3.33 -0.04 0.00 0.50 0.00 0.00 46.19 43.32 3i7p s LEU 699 CO 0.00 0.15 0.09 0.42 -1.32 0.00 0.00 176.35 175.69 3i7p s THR 700 N -1.29 0.19 -0.27 3.68 -4.23 -0.90 -2.84 115.64 109.97 3i7p s THR 700 Ca 0.37 -1.97 -0.23 0.00 -1.18 0.00 0.00 61.69 58.68 3i7p s THR 700 Cb -0.20 -2.34 0.08 0.00 1.34 0.00 0.00 72.50 71.39 3i7p s THR 700 CO 0.23 -0.20 0.77 0.27 -0.54 0.00 0.00 174.62 175.14 3i7p s ILE 701 N -4.01 0.00 0.00 2.99 -0.00 -1.24 -1.81 121.20 117.13 3i7p s ILE 701 Ca 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.97 3i7p s ILE 701 Cb 0.07 -1.00 0.00 0.00 -0.00 0.00 0.00 42.46 41.53 3i7p s ILE 701 CO 0.08 0.00 0.00 0.61 -0.00 0.00 0.00 174.94 175.63 3i7p n GLY 702 N 3.00 0.01 3.22 6.27 0.00 -0.96 -1.42 105.19 115.31 3i7p n GLY 702 Ca -0.15 -0.89 -0.18 0.00 0.00 0.00 0.00 46.02 44.80 3i7p n GLY 702 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3i7p n THR 703 N -0.05 0.00 -4.16 2.61 -2.24 -1.26 -2.10 114.28 107.08 3i7p n THR 703 Ca 0.00 -1.40 -0.18 0.00 -2.27 0.00 0.00 64.05 60.20 3i7p n THR 703 Cb 0.00 -0.85 -0.16 0.00 -2.10 0.00 0.00 70.33 67.23 3i7p n THR 703 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3i7p s ILE 704 N -2.34 0.46 0.28 2.28 -1.09 -1.26 -2.99 121.20 116.54 3i7p s ILE 704 Ca 0.53 -0.15 -0.05 0.00 -2.23 0.00 0.00 60.65 58.75 3i7p s ILE 704 Cb -0.03 -0.46 0.07 0.00 -1.58 0.00 0.00 42.46 40.46 3i7p s ILE 704 CO 0.35 0.18 0.25 0.47 -1.23 0.00 0.00 174.94 174.95 3i7p n ASP 705 N 3.57 -1.28 0.00 3.58 8.00 -1.17 -5.02 116.55 124.22 3i7p n ASP 705 Ca -0.20 -0.64 0.00 0.00 0.71 0.00 0.00 54.79 54.66 3i7p n ASP 705 Cb 0.54 -0.23 0.00 0.00 -0.02 0.00 0.00 41.12 41.41 3i7p n ASP 705 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 3i7p n GLU 706 N -2.27 0.00 0.00 -1.24 4.07 -1.26 -4.96 120.64 114.98 3i7p n GLU 706 Ca 0.03 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.13 3i7p n GLU 706 Cb 0.13 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.51 3i7p n GLU 706 CO 0.00 0.00 0.00 -0.89 -0.06 0.00 0.00 177.13 176.18 3i7p n ILE 707 N 0.00 0.00 0.00 6.31 5.41 -1.26 -5.07 119.36 124.75 3i7p n ILE 707 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 3i7p n ILE 707 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 3i7p n ILE 707 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3i7p n GLN 708 N -0.48 0.00 -0.57 0.38 10.64 -1.26 -4.62 117.38 121.47 3i7p n GLN 708 Ca 0.00 0.00 0.46 0.00 -1.83 0.00 0.00 57.00 55.63 3i7p n GLN 708 Cb 0.00 0.00 0.78 0.00 -0.86 0.00 0.00 30.24 30.16 3i7p n GLN 708 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.06 175.01 3i7p h LYS 709 N 0.00 0.02 -5.57 2.61 3.64 -1.95 -3.39 116.57 111.93 3i7p h LYS 709 Ca 0.00 -0.00 -0.65 0.00 -1.27 0.00 0.00 60.65 58.73 3i7p h LYS 709 Cb 0.00 -0.00 -0.32 0.00 -0.41 0.00 0.00 32.23 31.50 3i7p h LYS 709 CO 0.00 0.01 -0.87 -0.51 -2.27 0.00 0.00 179.45 175.81 3i7p s LEU 710 N -8.27 2.02 -0.17 5.20 1.43 -1.26 -0.42 118.68 117.20 3i7p s LEU 710 Ca -0.05 -0.49 -0.09 0.00 -1.03 0.00 0.00 54.13 52.47 3i7p s LEU 710 Cb 0.26 -1.28 -0.05 0.00 0.03 0.00 0.00 46.19 45.16 3i7p s LEU 710 CO 0.86 0.19 0.15 -2.28 0.23 0.00 0.00 176.35 175.50 3i7p s HIS 711 N 0.09 3.48 -0.19 0.29 5.65 0.16 -4.86 115.29 119.90 3i7p s HIS 711 Ca -0.09 0.42 -0.02 0.00 0.25 0.00 0.00 55.06 55.62 3i7p s HIS 711 Cb -0.15 -2.11 -0.00 0.00 -1.18 0.00 0.00 32.58 29.14 3i7p s HIS 711 CO 0.05 0.43 -0.11 0.42 -0.65 0.00 0.00 174.74 174.88 3i7p s ILE 712 N -0.07 2.90 -0.23 0.89 1.01 -1.26 0.23 121.20 124.67 3i7p s ILE 712 Ca 0.11 -0.67 -0.05 0.00 0.00 0.00 0.00 60.65 60.04 3i7p s ILE 712 Cb -0.12 -2.27 -0.02 0.00 0.01 0.00 0.00 42.46 40.07 3i7p s ILE 712 CO 0.00 0.48 -0.01 -0.60 0.00 0.00 0.00 174.94 174.82 3i7p s ARG 713 N 1.20 3.48 0.26 2.79 3.52 0.50 -4.90 118.95 125.80 3i7p s ARG 713 Ca 0.02 -0.57 0.06 0.00 -0.13 0.00 0.00 55.73 55.11 3i7p s ARG 713 Cb -0.14 -3.11 -0.03 0.00 -1.56 0.00 0.00 34.95 30.11 3i7p s ARG 713 CO -0.04 -0.18 0.32 0.99 -0.81 0.00 0.00 175.30 175.57 3i7p s THR 714 N 1.50 4.70 -0.32 4.11 2.01 -1.26 0.28 115.64 126.66 3i7p s THR 714 Ca 0.06 -1.15 -0.02 0.00 0.31 0.00 0.00 61.69 60.89 3i7p s THR 714 Cb -0.15 -3.60 0.12 0.00 0.01 0.00 0.00 72.50 68.88 3i7p s THR 714 CO -0.01 -0.30 0.16 -0.69 -0.69 0.00 0.00 174.62 173.09 3i7p s VAL 715 N -2.08 0.19 -0.17 3.82 1.01 0.15 -4.93 120.40 118.39 3i7p s VAL 715 Ca 0.36 -1.28 -0.34 0.00 0.00 0.00 0.00 61.98 60.72 3i7p s VAL 715 Cb -0.08 -1.16 -0.11 0.00 0.00 0.00 0.00 36.38 35.03 3i7p s VAL 715 CO 0.28 -0.83 2.00 -2.65 0.00 0.00 0.00 175.10 173.90 3i7p n PRO 716 N 4.66 1.90 -0.01 2.72 -0.02 -1.26 -1.44 135.00 141.56 3i7p n PRO 716 Ca 0.02 0.65 0.06 0.00 -2.02 0.00 0.00 63.50 62.21 3i7p n PRO 716 Cb 0.40 -2.69 -0.14 0.00 -0.02 0.00 0.00 33.50 31.04 3i7p n PRO 716 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3i7p n LEU 717 N 8.08 0.16 0.00 2.45 4.77 -0.70 -4.93 117.00 126.83 3i7p n LEU 717 Ca 0.28 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 3i7p n LEU 717 Cb 0.30 0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 3i7p n LEU 717 CO 0.73 0.10 0.00 -1.22 -1.33 0.00 0.00 177.39 175.66 3i7p n TYR 718 N -2.46 0.00 -4.06 -1.77 4.02 -1.19 -2.08 117.16 109.62 3i7p n TYR 718 Ca -0.10 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 57.75 3i7p n TYR 718 Cb 0.71 -0.84 -0.02 0.00 -0.02 0.00 0.00 39.34 39.17 3i7p n TYR 718 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 176.86 175.00 3i7p n GLU 719 N -1.83 0.15 -3.78 -0.72 0.28 -1.17 -4.07 120.64 109.50 3i7p n GLU 719 Ca 0.00 -0.68 -0.37 0.00 -0.16 0.00 0.00 57.16 55.95 3i7p n GLU 719 Cb 0.04 0.54 -0.13 0.00 1.43 0.00 0.00 31.44 33.33 3i7p n GLU 719 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 3i7p s SER 720 N -1.48 5.13 0.65 -1.84 1.04 -0.98 -3.16 113.70 113.06 3i7p s SER 720 Ca 0.08 -0.94 -0.15 0.00 0.48 0.00 0.00 55.95 55.41 3i7p s SER 720 Cb 0.00 -1.85 -0.01 0.00 0.10 0.00 0.00 66.02 64.27 3i7p s SER 720 CO 0.06 -0.25 1.10 -2.16 0.98 0.00 0.00 173.24 172.97 3i7p s PRO 721 N 1.43 2.89 0.00 4.02 0.04 -1.26 -2.51 135.00 139.61 3i7p s PRO 721 Ca 0.00 1.36 0.00 0.00 0.04 0.00 0.00 61.00 62.40 3i7p s PRO 721 Cb -0.18 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.39 3i7p s PRO 721 CO 0.02 -1.17 0.00 0.54 0.04 0.00 0.00 177.00 176.43 3i7p n ARG 722 N -2.36 0.00 -4.37 4.56 5.12 -0.12 -4.76 116.66 114.74 3i7p n ARG 722 Ca 0.10 0.00 -0.19 0.00 -1.93 0.00 0.00 57.85 55.83 3i7p n ARG 722 Cb 0.52 -0.35 -0.10 0.00 -1.16 0.00 0.00 32.46 31.37 3i7p n ARG 722 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 3i7p s LYS 723 N -1.92 1.41 -0.17 5.56 -0.14 -1.22 -4.07 119.74 119.18 3i7p s LYS 723 Ca 0.00 -1.70 -0.07 0.00 -1.36 0.00 0.00 55.97 52.84 3i7p s LYS 723 Cb 0.00 -0.89 0.08 0.00 -1.68 0.00 0.00 37.83 35.34 3i7p s LYS 723 CO 0.00 -0.00 0.38 -1.50 -0.76 0.00 0.00 175.35 173.46 3i7p s ILE 724 N -3.20 -0.43 0.01 2.17 2.07 -1.26 -2.52 121.20 118.04 3i7p s ILE 724 Ca 0.28 0.17 0.08 0.00 -1.41 0.00 0.00 60.65 59.77 3i7p s ILE 724 Cb 0.04 -0.60 -0.03 0.00 0.13 0.00 0.00 42.46 42.01 3i7p s ILE 724 CO 0.09 0.07 -0.23 0.00 -1.91 0.00 0.00 174.94 172.96 3i7p s TYR 726 N -0.75 3.35 -0.47 0.00 5.04 -1.26 0.48 117.35 123.74 3i7p s TYR 726 Ca 0.12 -1.56 -0.21 0.00 -2.44 0.00 0.00 57.07 52.97 3i7p s TYR 726 Cb -0.10 -3.22 0.03 0.00 0.35 0.00 0.00 41.96 39.02 3i7p s TYR 726 CO 0.01 -0.90 0.68 -1.14 -1.34 0.00 0.00 175.55 172.86 3i7p s GLN 727 N 1.44 3.25 -0.02 4.97 0.74 -0.86 -4.94 119.66 124.25 3i7p s GLN 727 Ca 0.04 -0.48 -0.04 0.00 0.05 0.00 0.00 55.36 54.93 3i7p s GLN 727 Cb -0.25 -4.00 -0.02 0.00 1.10 0.00 0.00 33.01 29.84 3i7p s GLN 727 CO 0.02 -1.13 0.35 1.49 -0.55 0.00 0.00 175.29 175.47 3i7p h GLU 728 N 8.97 -0.14 -0.66 1.67 4.81 -1.96 -2.80 114.58 124.48 3i7p h GLU 728 Ca -0.26 0.01 0.23 0.00 -0.13 0.00 0.00 59.36 59.21 3i7p h GLU 728 Cb 1.09 0.03 -0.07 0.00 0.63 0.00 0.00 28.75 30.44 3i7p h GLU 728 CO 0.94 -0.09 0.42 1.33 -0.73 0.00 0.00 179.01 180.88 3i7p n VAL 729 N -3.11 -0.12 0.56 0.32 0.24 -1.26 0.40 118.33 115.35 3i7p n VAL 729 Ca -0.02 0.87 0.10 0.00 -2.04 0.00 0.00 64.34 63.25 3i7p n VAL 729 Cb 0.06 -1.43 0.26 0.00 -1.47 0.00 0.00 33.84 31.26 3i7p n VAL 729 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 3i7p n SER 730 N -3.63 2.64 -4.25 -1.34 7.64 -1.14 -4.95 113.62 108.58 3i7p n SER 730 Ca 0.19 -1.93 -0.36 0.00 1.01 0.00 0.00 58.87 57.78 3i7p n SER 730 Cb 0.75 -0.27 -0.04 0.00 -1.01 0.00 0.00 64.21 63.64 3i7p n SER 730 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i7p n GLN 731 N 0.94 -2.70 -3.76 1.43 1.13 1.30 -4.90 117.38 110.82 3i7p n GLN 731 Ca 0.17 0.33 -0.13 0.00 -1.94 0.00 0.00 57.00 55.43 3i7p n GLN 731 Cb 0.44 -4.91 -0.03 0.00 0.11 0.00 0.00 30.24 25.85 3i7p n GLN 731 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3i7p s PHE 733 N -3.11 2.33 -0.14 0.00 2.99 0.97 -2.02 117.98 119.00 3i7p s PHE 733 Ca 0.27 -0.40 -0.07 0.00 0.00 0.00 0.00 56.93 56.73 3i7p s PHE 733 Cb -0.01 -1.38 -0.04 0.00 0.00 0.00 0.00 43.02 41.59 3i7p s PHE 733 CO 0.19 0.15 0.11 0.20 -0.00 0.00 0.00 175.22 175.88 3i7p s GLY 734 N -1.34 2.08 -0.07 4.36 0.00 0.18 -1.38 107.32 111.15 3i7p s GLY 734 Ca 0.12 -0.68 -0.03 0.00 0.00 0.00 0.00 44.72 44.14 3i7p s GLY 734 CO 0.03 -0.27 0.06 0.14 0.00 0.00 0.00 173.10 173.05 3i7p s VAL 735 N -0.64 -0.04 0.44 1.40 1.01 -1.03 -1.55 120.40 120.00 3i7p s VAL 735 Ca 0.13 0.25 -0.21 0.00 0.00 0.00 0.00 61.98 62.15 3i7p s VAL 735 Cb -0.12 -0.30 -0.10 0.00 0.00 0.00 0.00 36.38 35.87 3i7p s VAL 735 CO 0.02 0.09 0.99 -0.76 0.00 0.00 0.00 175.10 175.44 3i7p s LEU 736 N 2.13 3.93 0.14 3.92 1.43 -1.05 -0.65 118.68 128.55 3i7p s LEU 736 Ca 0.04 1.81 -0.18 0.00 -1.03 0.00 0.00 54.13 54.78 3i7p s LEU 736 Cb -0.13 -4.50 0.04 0.00 0.03 0.00 0.00 46.19 41.63 3i7p s LEU 736 CO -0.05 -0.52 0.47 -0.94 0.23 0.00 0.00 176.35 175.54 3i7p s SER 737 N -2.03 -0.33 -0.13 2.29 1.04 -0.80 -0.95 113.70 112.79 3i7p s SER 737 Ca 0.63 -0.25 -0.07 0.00 0.48 0.00 0.00 55.95 56.74 3i7p s SER 737 Cb -0.13 0.52 0.05 0.00 0.10 0.00 0.00 66.02 66.56 3i7p s SER 737 CO 0.17 -0.91 0.31 -0.55 0.98 0.00 0.00 173.24 173.24 3i7p s SER 738 N -2.80 -0.34 0.10 7.02 0.15 -1.04 -1.74 113.70 115.05 3i7p s SER 738 Ca 0.03 0.68 0.06 0.00 0.70 0.00 0.00 55.95 57.41 3i7p s SER 738 Cb 0.01 0.57 -0.03 0.00 -1.71 0.00 0.00 66.02 64.86 3i7p s SER 738 CO -0.11 -0.18 -0.14 0.00 1.20 0.00 0.00 173.24 174.00 3i7p s ARG 739 N 1.38 0.94 0.08 5.44 1.70 -0.11 -2.32 118.95 126.06 3i7p s ARG 739 Ca -0.09 -1.11 -0.01 0.00 -0.47 0.00 0.00 55.73 54.05 3i7p s ARG 739 Cb -0.10 -0.90 -0.04 0.00 -0.57 0.00 0.00 34.95 33.34 3i7p s ARG 739 CO -0.10 0.19 0.25 0.42 -1.08 0.00 0.00 175.30 174.97 3i7p s ILE 740 N -1.71 5.34 0.06 4.99 1.01 -1.26 0.56 121.20 130.18 3i7p s ILE 740 Ca 0.04 -0.30 0.00 0.00 0.00 0.00 0.00 60.65 60.39 3i7p s ILE 740 Cb -0.07 -3.63 -0.04 0.00 0.01 0.00 0.00 42.46 38.73 3i7p s ILE 740 CO 0.03 0.11 -0.04 -1.61 0.00 0.00 0.00 174.94 173.42 3i7p s GLU 741 N -2.57 0.61 0.16 2.79 2.02 -0.42 -4.17 118.70 117.12 3i7p s GLU 741 Ca 0.36 -1.11 0.08 0.00 0.02 0.00 0.00 54.97 54.32 3i7p s GLU 741 Cb -0.13 0.05 -0.04 0.00 0.10 0.00 0.00 34.13 34.11 3i7p s GLU 741 CO 0.27 -0.06 -0.08 0.14 0.02 0.00 0.00 175.26 175.55 3i7p s VAL 742 N -3.24 3.32 0.46 2.63 -7.23 -1.26 -1.77 120.40 113.30 3i7p s VAL 742 Ca 0.03 -1.51 -0.24 0.00 -1.81 0.00 0.00 61.98 58.46 3i7p s VAL 742 Cb 0.03 -2.62 -0.09 0.00 0.56 0.00 0.00 36.38 34.26 3i7p s VAL 742 CO -0.06 -0.04 1.19 0.00 -0.31 0.00 0.00 175.10 175.87 3i7p n GLN 743 N 0.22 1.66 -0.13 4.82 10.64 -0.26 -2.91 117.38 131.43 3i7p n GLN 743 Ca -0.11 0.60 0.00 0.00 -1.83 0.00 0.00 57.00 55.65 3i7p n GLN 743 Cb 0.54 -2.31 0.00 0.00 -0.86 0.00 0.00 30.24 27.62 3i7p n GLN 743 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 3i7p n ASP 744 N 0.02 0.00 -0.04 2.61 2.03 0.28 -3.60 116.55 117.85 3i7p n ASP 744 Ca 0.08 -0.19 0.01 0.00 0.52 0.00 0.00 54.79 55.22 3i7p n ASP 744 Cb 0.41 0.00 -0.13 0.00 -0.72 0.00 0.00 41.12 40.68 3i7p n ASP 744 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 3i7p n THR 745 N -0.25 0.46 1.16 5.18 -2.24 -1.26 -3.40 114.28 113.93 3i7p n THR 745 Ca 0.00 -0.50 0.01 0.00 -2.27 0.00 0.00 64.05 61.29 3i7p n THR 745 Cb 0.00 -0.19 0.05 0.00 -2.10 0.00 0.00 70.33 68.09 3i7p n THR 745 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3i7p n SER 746 N -2.29 1.14 0.00 3.42 3.41 -1.26 -4.93 113.62 113.11 3i7p n SER 746 Ca -0.13 -2.07 0.00 0.00 -0.26 0.00 0.00 58.87 56.41 3i7p n SER 746 Cb 0.68 -0.33 0.00 0.00 -0.26 0.00 0.00 64.21 64.30 3i7p n SER 746 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i7p n GLY 747 N 0.32 1.44 0.00 5.00 0.00 -1.22 -4.92 105.19 105.82 3i7p n GLY 747 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3i7p n GLY 747 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i7p n GLY 748 N 0.00 -3.56 3.26 -0.02 0.00 -1.26 -2.74 105.19 100.86 3i7p n GLY 748 Ca 0.00 -1.19 -0.26 0.00 0.00 0.00 0.00 46.02 44.57 3i7p n GLY 748 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3i7p s THR 749 N -0.54 1.71 0.00 2.61 -4.23 -1.26 0.10 115.64 114.03 3i7p s THR 749 Ca 0.00 -1.20 0.00 0.00 -1.18 0.00 0.00 61.69 59.31 3i7p s THR 749 Cb 0.00 -1.48 0.00 0.00 1.34 0.00 0.00 72.50 72.36 3i7p s THR 749 CO 0.00 0.24 0.00 0.35 -0.54 0.00 0.00 174.62 174.67 3i7p n THR 750 N 1.89 0.00 0.00 3.99 -2.24 -1.14 -4.97 114.28 111.80 3i7p n THR 750 Ca -0.17 0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 3i7p n THR 750 Cb 0.53 -1.06 0.00 0.00 -2.10 0.00 0.00 70.33 67.70 3i7p n THR 750 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i7p n ALA 751 N -1.97 0.00 0.44 6.98 0.00 -1.26 -4.91 120.51 119.78 3i7p n ALA 751 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 3i7p n ALA 751 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 3i7p n ALA 751 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3i7p n LEU 752 N 0.00 0.44 -3.61 0.00 4.77 -1.26 -4.81 117.00 112.54 3i7p n LEU 752 Ca 0.00 -0.36 -0.07 0.00 -0.03 0.00 0.00 56.01 55.55 3i7p n LEU 752 Cb 0.00 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.04 3i7p n LEU 752 CO 0.00 0.11 0.94 0.00 -1.33 0.00 0.00 177.39 177.11 3i7p s ARG 753 N -2.40 0.36 0.29 3.23 1.70 -1.26 -5.13 118.95 115.74 3i7p s ARG 753 Ca 0.02 0.10 -0.29 0.00 -0.47 0.00 0.00 55.73 55.09 3i7p s ARG 753 Cb 0.09 0.17 -0.10 0.00 -0.57 0.00 0.00 34.95 34.54 3i7p s ARG 753 CO 0.53 -0.11 1.38 -1.25 -1.08 0.00 0.00 175.30 174.77 3i7p s PRO 754 N -1.03 4.30 0.00 3.89 0.04 -1.26 -4.98 135.00 135.97 3i7p s PRO 754 Ca 0.03 2.27 0.00 0.00 0.04 0.00 0.00 61.00 63.34 3i7p s PRO 754 Cb -0.01 -3.09 0.00 0.00 0.04 0.00 0.00 34.50 31.44 3i7p s PRO 754 CO -0.03 -0.32 0.00 0.43 0.04 0.00 0.00 177.00 177.12 3i7p n SER 755 N 1.60 0.71 0.02 6.66 7.64 -1.26 -4.94 113.62 124.04 3i7p n SER 755 Ca 0.04 -0.42 0.12 0.00 1.01 0.00 0.00 58.87 59.61 3i7p n SER 755 Cb 0.41 0.00 0.16 0.00 -1.01 0.00 0.00 64.21 63.77 3i7p n SER 755 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i7p n ALA 756 N -3.00 3.43 0.16 -0.43 0.00 -0.88 -2.71 120.51 117.08 3i7p n ALA 756 Ca 0.00 -0.35 0.11 0.00 0.00 0.00 0.00 53.44 53.20 3i7p n ALA 756 Cb 0.00 -1.08 -0.02 0.00 0.00 0.00 0.00 19.45 18.35 3i7p n ALA 756 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3i7p n SER 757 N -1.76 0.66 -0.02 0.00 3.41 -1.26 -3.30 113.62 111.35 3i7p n SER 757 Ca 0.04 0.20 -0.18 0.00 -0.26 0.00 0.00 58.87 58.67 3i7p n SER 757 Cb 0.38 0.75 -0.14 0.00 -0.26 0.00 0.00 64.21 64.95 3i7p n SER 757 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3i7p n THR 758 N -2.49 1.70 1.02 6.66 -2.24 -1.25 -3.91 114.28 113.78 3i7p n THR 758 Ca -0.00 -0.68 0.01 0.00 -2.27 0.00 0.00 64.05 61.11 3i7p n THR 758 Cb 0.53 -1.52 0.04 0.00 -2.10 0.00 0.00 70.33 67.28 3i7p n THR 758 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i7p n GLN 759 N -3.35 1.35 -1.25 -0.78 1.13 -1.10 -4.96 117.38 108.42 3i7p n GLN 759 Ca -0.31 -0.31 -0.38 0.00 -1.94 0.00 0.00 57.00 54.07 3i7p n GLN 759 Cb 1.05 -1.46 0.04 0.00 0.11 0.00 0.00 30.24 29.97 3i7p n GLN 759 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3i7p n ALA 760 N -0.01 -2.70 0.04 -1.58 0.00 -1.21 -4.97 120.51 110.08 3i7p n ALA 760 Ca 0.03 -0.19 -0.09 0.00 0.00 0.00 0.00 53.44 53.19 3i7p n ALA 760 Cb 0.28 -1.56 -0.06 0.00 0.00 0.00 0.00 19.45 18.11 3i7p n ALA 760 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3i7p h LEU 761 N -0.21 -0.18 0.00 0.00 3.38 -0.96 -3.47 115.31 113.87 3i7p h LEU 761 Ca -0.43 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.24 3i7p h LEU 761 Cb 1.39 0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.19 3i7p h LEU 761 CO 0.40 0.39 0.00 -1.54 0.09 0.00 0.00 178.44 177.78 3i7p n SER 762 N -4.90 0.61 0.00 -0.43 3.41 -0.95 -5.05 113.62 106.31 3i7p n SER 762 Ca -0.06 -0.35 0.00 0.00 -0.26 0.00 0.00 58.87 58.19 3i7p n SER 762 Cb 0.23 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.18 3i7p n SER 762 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3i7p n SER 763 N -0.84 0.00 -3.50 4.04 3.41 -1.26 -3.43 113.62 112.04 3i7p n SER 763 Ca 0.00 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.45 3i7p n SER 763 Cb 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 3i7p n SER 763 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3i7p s SER 764 N 0.00 -0.60 0.36 4.04 0.01 -0.02 -4.88 113.70 112.60 3i7p s SER 764 Ca 0.00 0.45 0.09 0.00 1.31 0.00 0.00 55.95 57.79 3i7p s SER 764 Cb 0.00 0.55 -0.07 0.00 0.21 0.00 0.00 66.02 66.71 3i7p s SER 764 CO 0.00 -0.72 -0.06 0.54 0.41 0.00 0.00 173.24 173.41 3i7p s VAL 765 N -2.04 2.13 0.09 3.43 0.11 -1.26 -1.60 120.40 121.25 3i7p s VAL 765 Ca -0.07 -2.15 -0.30 0.00 -2.93 0.00 0.00 61.98 56.53 3i7p s VAL 765 Cb -0.00 -2.73 -0.06 0.00 -1.53 0.00 0.00 36.38 32.06 3i7p s VAL 765 CO 0.02 -0.15 1.09 -0.55 -3.33 0.00 0.00 175.10 172.18 3i7p s SER 766 N -3.62 7.26 -0.26 3.54 0.15 0.77 -4.81 113.70 116.72 3i7p s SER 766 Ca 0.33 1.92 -0.14 0.00 0.70 0.00 0.00 55.95 58.76 3i7p s SER 766 Cb 0.05 -2.59 -0.11 0.00 -1.71 0.00 0.00 66.02 61.66 3i7p s SER 766 CO 0.17 -0.29 -0.35 -1.54 1.20 0.00 0.00 173.24 172.42 3i7p n SER 767 N 3.31 1.92 0.00 5.45 3.41 -1.26 -4.85 113.62 121.59 3i7p n SER 767 Ca 0.06 0.33 0.00 0.00 -0.26 0.00 0.00 58.87 59.00 3i7p n SER 767 Cb 0.48 -0.79 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 3i7p n SER 767 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3i7p n SER 768 N -4.26 0.00 -0.52 4.04 2.88 -1.26 -4.93 113.62 109.57 3i7p n SER 768 Ca -0.47 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.14 3i7p n SER 768 Cb 0.82 0.00 0.16 0.00 -0.75 0.00 0.00 64.21 64.44 3i7p n SER 768 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3i7p n LYS 769 N 0.00 1.27 0.00 -1.46 4.76 -1.26 -4.86 118.16 116.62 3i7p n LYS 769 Ca 0.00 -2.86 0.04 0.00 -2.87 0.00 0.00 58.31 52.62 3i7p n LYS 769 Cb 0.00 -1.38 0.19 0.00 -1.84 0.00 0.00 35.03 32.00 3i7p n LYS 769 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3i7p n LEU 770 N -1.01 0.00 0.00 -0.35 4.77 -1.26 -4.72 117.00 114.42 3i7p n LEU 770 Ca 0.16 0.49 -0.22 0.00 -0.03 0.00 0.00 56.01 56.41 3i7p n LEU 770 Cb 0.72 -0.49 -0.06 0.00 -2.33 0.00 0.00 43.42 41.25 3i7p n LEU 770 CO -0.02 -0.35 -0.14 0.49 -1.33 0.00 0.00 177.39 176.04 3i7p n PHE 771 N -1.49 0.06 0.11 -1.77 3.01 -1.26 -5.12 117.46 111.00 3i7p n PHE 771 Ca 0.02 -2.37 0.00 0.00 1.01 0.00 0.00 57.45 56.11 3i7p n PHE 771 Cb 0.10 0.02 0.00 0.00 -0.01 0.00 0.00 39.48 39.59 3i7p n PHE 771 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 3i7p n SER 772 N -1.60 -0.10 -4.66 4.37 7.64 -1.26 -5.23 113.62 112.78 3i7p n SER 772 Ca -0.04 0.39 -0.39 0.00 1.01 0.00 0.00 58.87 59.84 3i7p n SER 772 Cb 0.55 0.31 -0.07 0.00 -1.01 0.00 0.00 64.21 63.99 3i7p n SER 772 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3i7p s SER 773 N -5.04 6.47 0.75 6.43 1.04 -1.26 -5.26 113.70 116.83 3i7p s SER 773 Ca 0.00 0.56 0.00 0.00 0.48 0.00 0.00 55.95 56.99 3i7p s SER 773 Cb 0.00 -2.25 0.00 0.00 0.10 0.00 0.00 66.02 63.87 3i7p s SER 773 CO 0.00 -0.13 0.00 0.61 0.98 0.00 0.00 173.24 174.70 3i7p n GLY 783 N 3.99 2.96 1.91 7.32 0.00 -1.24 -5.21 105.19 114.92 3i7p n GLY 783 Ca -0.07 0.26 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 3i7p n GLY 783 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i7p n GLU 784 N 14.00 0.00 -3.95 1.61 1.02 -1.26 -4.11 120.64 127.94 3i7p n GLU 784 Ca 0.00 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.82 3i7p n GLU 784 Cb 0.00 -0.67 -0.05 0.00 -0.02 0.00 0.00 31.44 30.70 3i7p n GLU 784 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3i7p s GLU 785 N -0.33 3.33 0.21 3.49 2.02 -1.26 -1.10 118.70 125.06 3i7p s GLU 785 Ca 0.42 -0.41 -0.05 0.00 0.02 0.00 0.00 54.97 54.95 3i7p s GLU 785 Cb -0.59 -3.01 -0.03 0.00 0.10 0.00 0.00 34.13 30.60 3i7p s GLU 785 CO 0.31 0.64 0.24 0.54 0.02 0.00 0.00 175.26 177.01 3i7p s VAL 786 N -1.36 0.00 0.00 2.63 0.11 -0.73 -4.99 120.40 116.07 3i7p s VAL 786 Ca 0.29 -1.81 0.07 0.00 -2.93 0.00 0.00 61.98 57.61 3i7p s VAL 786 Cb -0.13 -2.38 -0.02 0.00 -1.53 0.00 0.00 36.38 32.32 3i7p s VAL 786 CO 0.21 -0.02 -0.23 -1.61 -3.33 0.00 0.00 175.10 170.11 3i7p s GLU 787 N -4.11 1.79 -0.09 1.54 2.02 -1.26 -1.31 118.70 117.28 3i7p s GLU 787 Ca 0.33 -0.88 0.00 0.00 0.02 0.00 0.00 54.97 54.44 3i7p s GLU 787 Cb 0.05 -1.79 0.02 0.00 0.10 0.00 0.00 34.13 32.51 3i7p s GLU 787 CO 0.11 0.48 -0.08 0.08 0.02 0.00 0.00 175.26 175.87 3i7p s VAL 788 N -0.62 0.93 0.00 2.63 1.01 0.19 -4.67 120.40 119.88 3i7p s VAL 788 Ca 0.09 -0.27 0.01 0.00 0.00 0.00 0.00 61.98 61.81 3i7p s VAL 788 Cb -0.09 -0.94 -0.04 0.00 0.00 0.00 0.00 36.38 35.32 3i7p s VAL 788 CO -0.00 0.34 0.03 -1.00 0.00 0.00 0.00 175.10 174.46 3i7p s HIS 789 N 1.39 3.14 0.10 5.22 3.76 -1.26 -0.94 115.29 126.70 3i7p s HIS 789 Ca -0.02 0.12 0.03 0.00 -0.15 0.00 0.00 55.06 55.05 3i7p s HIS 789 Cb -0.13 -1.69 -0.04 0.00 1.11 0.00 0.00 32.58 31.83 3i7p s HIS 789 CO -0.04 0.49 -0.09 -0.80 -0.85 0.00 0.00 174.74 173.45 3i7p s ASN 790 N -1.64 1.40 -0.16 1.40 0.01 -0.71 -0.97 114.94 114.26 3i7p s ASN 790 Ca 0.21 -0.83 -0.13 0.00 -0.71 0.00 0.00 52.86 51.40 3i7p s ASN 790 Cb -0.12 0.02 -0.05 0.00 0.41 0.00 0.00 41.25 41.52 3i7p s ASN 790 CO 0.12 -0.29 0.25 -0.22 -1.51 0.00 0.00 177.10 175.45 3i7p s LEU 791 N -2.52 4.25 0.12 0.60 2.96 -0.52 -1.90 118.68 121.68 3i7p s LEU 791 Ca 0.06 0.45 0.04 0.00 -0.22 0.00 0.00 54.13 54.46 3i7p s LEU 791 Cb -0.02 -2.30 -0.04 0.00 0.50 0.00 0.00 46.19 44.33 3i7p s LEU 791 CO -0.01 0.14 0.12 -0.76 -1.32 0.00 0.00 176.35 174.52 3i7p s LEU 792 N 0.34 3.85 -0.21 -0.68 1.43 0.18 -1.48 118.68 122.11 3i7p s LEU 792 Ca 0.15 -0.05 0.01 0.00 -1.03 0.00 0.00 54.13 53.21 3i7p s LEU 792 Cb -0.13 -2.49 0.03 0.00 0.03 0.00 0.00 46.19 43.64 3i7p s LEU 792 CO 0.03 0.11 -0.16 -0.63 0.23 0.00 0.00 176.35 175.93 3i7p s ILE 793 N -1.59 2.20 -0.14 -0.59 -1.09 0.10 -2.47 121.20 117.63 3i7p s ILE 793 Ca 0.31 -1.12 0.02 0.00 -2.23 0.00 0.00 60.65 57.63 3i7p s ILE 793 Cb -0.11 -2.04 0.00 0.00 -1.58 0.00 0.00 42.46 38.73 3i7p s ILE 793 CO 0.23 0.36 -0.20 -0.63 -1.23 0.00 0.00 174.94 173.47 3i7p s ILE 794 N 1.25 2.26 -0.01 2.92 1.09 -0.48 0.83 121.20 129.06 3i7p s ILE 794 Ca 0.01 -0.92 -0.30 0.00 -1.10 0.00 0.00 60.65 58.34 3i7p s ILE 794 Cb -0.15 -1.91 -0.06 0.00 -1.06 0.00 0.00 42.46 39.28 3i7p s ILE 794 CO -0.10 0.54 1.46 -0.62 -0.10 0.00 0.00 174.94 176.12 3i7p s ASP 795 N 0.75 6.80 0.46 3.58 -1.08 -0.38 -0.02 116.67 126.77 3i7p s ASP 795 Ca -0.08 2.15 0.13 0.00 -0.52 0.00 0.00 52.55 54.24 3i7p s ASP 795 Cb -0.16 -2.56 1.05 0.00 -1.46 0.00 0.00 42.92 39.80 3i7p s ASP 795 CO 0.00 -0.77 2.05 0.06 0.52 0.00 0.00 175.17 177.02 3i7p h GLN 796 N 8.16 0.10 0.01 4.34 3.07 -1.69 0.32 115.11 129.42 3i7p h GLN 796 Ca -0.38 -0.01 -0.07 0.00 0.09 0.00 0.00 58.65 58.27 3i7p h GLN 796 Cb 1.18 -0.02 -0.01 0.00 0.08 0.00 0.00 27.48 28.71 3i7p h GLN 796 CO 0.92 0.17 -0.39 0.45 0.09 0.00 0.00 178.83 180.06 3i7p h HIS 797 N 0.10 0.05 0.00 0.06 3.86 -1.90 -3.39 115.15 113.93 3i7p h HIS 797 Ca 0.02 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 3i7p h HIS 797 Cb 0.16 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.63 3i7p h HIS 797 CO 0.00 1.15 -0.88 0.25 0.86 0.00 0.00 177.93 179.32 3i7p n THR 798 N -4.52 0.09 -3.90 2.45 -2.24 -1.18 -4.98 114.28 100.01 3i7p n THR 798 Ca -0.16 -0.13 -0.25 0.00 -2.27 0.00 0.00 64.05 61.24 3i7p n THR 798 Cb 0.56 0.37 -0.00 0.00 -2.10 0.00 0.00 70.33 69.16 3i7p n THR 798 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3i7p n PHE 799 N -1.75 -1.78 -4.15 4.78 3.01 0.11 -4.98 117.46 112.70 3i7p n PHE 799 Ca 0.03 0.79 -0.35 0.00 1.01 0.00 0.00 57.45 58.94 3i7p n PHE 799 Cb 0.39 -3.89 -0.10 0.00 -0.01 0.00 0.00 39.48 35.87 3i7p n PHE 799 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 3i7p s GLU 800 N -6.42 3.69 -0.84 -1.08 2.02 -1.26 -4.86 118.70 109.95 3i7p s GLU 800 Ca 0.11 -0.38 -0.22 0.00 0.02 0.00 0.00 54.97 54.51 3i7p s GLU 800 Cb -0.06 -3.07 -0.19 0.00 0.10 0.00 0.00 34.13 30.91 3i7p s GLU 800 CO 0.86 0.39 2.19 0.28 0.02 0.00 0.00 175.26 179.00 3i7p n VAL 801 N 3.15 0.00 0.00 2.63 0.31 -1.26 -1.25 118.33 121.91 3i7p n VAL 801 Ca -0.17 -0.37 0.00 0.00 -0.01 0.00 0.00 64.34 63.79 3i7p n VAL 801 Cb 0.53 -1.55 0.00 0.00 -0.91 0.00 0.00 33.84 31.91 3i7p n VAL 801 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3i7p n LEU 802 N 16.09 0.00 -4.79 7.52 4.77 0.24 -2.31 117.00 138.52 3i7p n LEU 802 Ca 0.45 0.27 -0.29 0.00 -0.03 0.00 0.00 56.01 56.41 3i7p n LEU 802 Cb 0.40 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.43 3i7p n LEU 802 CO 0.63 0.00 -0.24 -2.28 -1.33 0.00 0.00 177.39 174.17 3i7p s HIS 803 N -0.55 3.20 -0.14 -1.77 5.04 -1.22 -1.91 115.29 117.95 3i7p s HIS 803 Ca 0.00 0.07 0.01 0.00 -1.54 0.00 0.00 55.06 53.59 3i7p s HIS 803 Cb 0.00 -1.60 0.02 0.00 0.04 0.00 0.00 32.58 31.04 3i7p s HIS 803 CO 0.00 0.52 -0.14 0.00 -2.34 0.00 0.00 174.74 172.78 3i7p s ALA 804 N -1.48 1.80 -0.26 1.58 0.00 -1.22 0.02 121.76 122.19 3i7p s ALA 804 Ca 0.30 -0.85 -0.10 0.00 0.00 0.00 0.00 51.96 51.31 3i7p s ALA 804 Cb -0.12 -0.99 -0.05 0.00 0.00 0.00 0.00 23.12 21.97 3i7p s ALA 804 CO 0.23 -0.29 0.17 -1.58 0.00 0.00 0.00 175.76 174.29 3i7p s HIS 805 N 1.34 3.25 -0.15 0.00 5.04 -0.55 -0.84 115.29 123.38 3i7p s HIS 805 Ca 0.02 0.12 -0.12 0.00 -1.54 0.00 0.00 55.06 53.54 3i7p s HIS 805 Cb -0.13 -2.32 -0.05 0.00 0.04 0.00 0.00 32.58 30.12 3i7p s HIS 805 CO -0.08 -0.08 0.23 -1.14 -2.34 0.00 0.00 174.74 171.33 3i7p s GLN 806 N 1.46 4.06 0.80 2.88 0.74 -0.63 -1.43 119.66 127.53 3i7p s GLN 806 Ca 0.07 -0.01 -0.09 0.00 0.05 0.00 0.00 55.36 55.38 3i7p s GLN 806 Cb -0.15 -3.36 0.17 0.00 1.10 0.00 0.00 33.01 30.77 3i7p s GLN 806 CO 0.08 0.40 1.09 1.19 -0.55 0.00 0.00 175.29 177.49 3i7p n PHE 807 N 3.11 -3.58 0.00 1.67 3.01 -0.14 -0.16 117.46 121.37 3i7p n PHE 807 Ca -0.15 -1.29 0.00 0.00 1.01 0.00 0.00 57.45 57.02 3i7p n PHE 807 Cb 0.52 -0.82 0.00 0.00 -0.01 0.00 0.00 39.48 39.17 3i7p n PHE 807 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 3i7p n LEU 808 N 0.00 0.00 -4.42 4.37 4.77 -1.26 -4.61 117.00 115.84 3i7p n LEU 808 Ca 0.15 0.00 -0.44 0.00 -0.03 0.00 0.00 56.01 55.69 3i7p n LEU 808 Cb 0.53 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.53 3i7p n LEU 808 CO 0.37 -1.32 -0.01 -1.58 -1.33 0.00 0.00 177.39 173.52 3i7p s GLN 809 N -2.43 2.98 0.00 3.23 0.74 -1.26 -3.92 119.66 119.01 3i7p s GLN 809 Ca 0.00 -1.18 0.00 0.00 0.05 0.00 0.00 55.36 54.23 3i7p s GLN 809 Cb 0.00 -4.06 0.00 0.00 1.10 0.00 0.00 33.01 30.05 3i7p s GLN 809 CO 0.00 -0.90 0.00 0.09 -0.55 0.00 0.00 175.29 173.93 3i7p n ASN 810 N 5.21 -0.85 -4.49 6.67 3.02 -1.26 -4.97 115.26 118.58 3i7p n ASN 810 Ca -0.12 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.07 3i7p n ASN 810 Cb 0.45 -0.33 -0.12 0.00 -0.61 0.00 0.00 39.78 39.17 3i7p n ASN 810 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3i7p s GLU 811 N -2.75 3.73 -0.19 3.52 2.12 -1.25 -0.97 118.70 122.90 3i7p s GLU 811 Ca 0.00 -0.45 -0.06 0.00 0.36 0.00 0.00 54.97 54.82 3i7p s GLU 811 Cb 0.00 -3.30 -0.03 0.00 0.26 0.00 0.00 34.13 31.06 3i7p s GLU 811 CO 0.00 -0.08 0.02 0.71 -0.54 0.00 0.00 175.26 175.37 3i7p s TYR 812 N 1.33 3.10 -0.15 5.30 4.12 0.10 -4.39 117.35 126.77 3i7p s TYR 812 Ca 0.05 -0.26 -0.23 0.00 0.02 0.00 0.00 57.07 56.65 3i7p s TYR 812 Cb -0.15 -2.08 -0.03 0.00 -1.52 0.00 0.00 41.96 38.19 3i7p s TYR 812 CO 0.04 -0.10 0.71 0.00 0.02 0.00 0.00 175.55 176.21 3i7p s ALA 813 N 0.78 3.47 -0.02 3.71 0.00 -1.26 -1.23 121.76 127.22 3i7p s ALA 813 Ca 0.01 -0.06 0.00 0.00 0.00 0.00 0.00 51.96 51.92 3i7p s ALA 813 Cb -0.14 -3.03 -0.00 0.00 0.00 0.00 0.00 23.12 19.94 3i7p s ALA 813 CO 0.02 -0.44 0.02 1.28 0.00 0.00 0.00 175.76 176.64 3i7p n LEU 814 N 4.70 0.02 -3.93 0.00 4.77 -0.38 -4.90 117.00 117.26 3i7p n LEU 814 Ca 0.00 -0.39 -0.10 0.00 -0.03 0.00 0.00 56.01 55.49 3i7p n LEU 814 Cb 0.50 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.47 3i7p n LEU 814 CO 0.46 0.00 -0.35 -0.94 -1.33 0.00 0.00 177.39 175.23 3i7p s SER 815 N -1.26 0.14 -0.05 -1.43 1.04 -1.11 -4.71 113.70 106.32 3i7p s SER 815 Ca 0.00 -0.29 -0.01 0.00 0.48 0.00 0.00 55.95 56.13 3i7p s SER 815 Cb 0.00 0.07 0.03 0.00 0.10 0.00 0.00 66.02 66.22 3i7p s SER 815 CO 0.02 -0.18 0.03 -0.22 0.98 0.00 0.00 173.24 173.86 3i7p s LEU 816 N -0.87 0.52 0.25 2.42 2.96 -1.26 -1.97 118.68 120.73 3i7p s LEU 816 Ca -0.10 -0.01 0.12 0.00 -0.22 0.00 0.00 54.13 53.93 3i7p s LEU 816 Cb -0.06 -0.28 -0.05 0.00 0.50 0.00 0.00 46.19 46.31 3i7p s LEU 816 CO -0.01 -0.20 -0.21 0.68 -1.32 0.00 0.00 176.35 175.30 3i7p s VAL 817 N 1.87 2.48 -0.37 1.68 -7.23 0.33 -4.79 120.40 114.37 3i7p s VAL 817 Ca 0.02 -2.27 0.03 0.00 -1.81 0.00 0.00 61.98 57.95 3i7p s VAL 817 Cb -0.12 -2.27 0.11 0.00 0.56 0.00 0.00 36.38 34.66 3i7p s VAL 817 CO -0.04 -0.31 0.11 -0.55 -0.31 0.00 0.00 175.10 174.01 3i7p s SER 818 N -3.24 4.43 0.04 4.85 0.15 -1.26 -0.58 113.70 118.08 3i7p s SER 818 Ca 0.27 -2.20 -0.04 0.00 0.70 0.00 0.00 55.95 54.68 3i7p s SER 818 Cb -0.06 -1.40 -0.02 0.00 -1.71 0.00 0.00 66.02 62.84 3i7p s SER 818 CO 0.14 -0.36 0.06 0.00 1.20 0.00 0.00 173.24 174.28 3i7p s LYS 820 N -2.59 4.06 0.08 0.00 1.02 -1.26 -0.12 119.74 120.94 3i7p s LYS 820 Ca -0.05 1.51 0.04 0.00 0.02 0.00 0.00 55.97 57.48 3i7p s LYS 820 Cb -0.01 -2.45 -0.03 0.00 -0.52 0.00 0.00 37.83 34.82 3i7p s LYS 820 CO -0.05 -0.23 -0.11 -0.51 -0.92 0.00 0.00 175.35 173.54 3i7p s LEU 821 N -2.83 2.33 0.00 3.17 1.43 -1.25 -4.69 118.68 116.85 3i7p s LEU 821 Ca 0.60 -0.70 0.00 0.00 -1.03 0.00 0.00 54.13 53.00 3i7p s LEU 821 Cb -0.22 -0.33 0.00 0.00 0.03 0.00 0.00 46.19 45.67 3i7p s LEU 821 CO 0.27 -0.20 0.00 0.61 0.23 0.00 0.00 176.35 177.26 3i7p n GLY 822 N 0.97 1.34 0.31 -3.19 0.00 0.74 -2.63 105.19 102.73 3i7p n GLY 822 Ca -0.19 -0.41 -0.08 0.00 0.00 0.00 0.00 46.02 45.34 3i7p n GLY 822 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i7p h LYS 823 N 0.00 1.08 -3.58 1.61 6.56 -1.89 -3.46 116.57 116.89 3i7p h LYS 823 Ca 0.00 -0.30 -0.47 0.00 -1.06 0.00 0.00 60.65 58.82 3i7p h LYS 823 Cb 0.00 -0.12 -0.02 0.00 -0.57 0.00 0.00 32.23 31.52 3i7p h LYS 823 CO 0.00 1.01 0.72 -3.47 -2.06 0.00 0.00 179.45 175.65 3i7p n ASP 824 N -4.20 0.50 -0.05 0.86 -0.08 -1.08 -4.87 116.55 107.62 3i7p n ASP 824 Ca 0.04 0.46 0.15 0.00 -1.51 0.00 0.00 54.79 53.93 3i7p n ASP 824 Cb 0.31 -0.54 0.81 0.00 2.34 0.00 0.00 41.12 44.04 3i7p n ASP 824 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 3i7p n PRO 825 N 4.11 0.84 -2.14 -0.67 -0.04 -1.26 -3.92 135.00 131.91 3i7p n PRO 825 Ca 0.30 -0.11 -0.33 0.00 -0.04 0.00 0.00 63.50 63.33 3i7p n PRO 825 Cb -0.03 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.94 3i7p n PRO 825 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 3i7p s ASN 826 N -2.24 5.96 -0.32 3.54 -0.87 -1.26 -5.03 114.94 114.73 3i7p s ASN 826 Ca 0.39 1.78 -0.04 0.00 -1.57 0.00 0.00 52.86 53.42 3i7p s ASN 826 Cb 0.21 -2.53 0.05 0.00 -0.02 0.00 0.00 41.25 38.96 3i7p s ASN 826 CO 0.41 -1.04 0.06 -0.89 -2.57 0.00 0.00 177.10 173.06 3i7p s THR 827 N -2.45 3.35 0.37 1.60 2.01 -1.26 -4.11 115.64 115.15 3i7p s THR 827 Ca 0.63 -1.30 0.01 0.00 0.31 0.00 0.00 61.69 61.34 3i7p s THR 827 Cb -0.15 -2.93 -0.02 0.00 0.01 0.00 0.00 72.50 69.41 3i7p s THR 827 CO 0.35 -0.17 0.57 -0.31 -0.69 0.00 0.00 174.62 174.38 3i7p s TYR 828 N 1.31 3.40 -0.34 4.92 1.51 0.84 -4.74 117.35 124.25 3i7p s TYR 828 Ca -0.03 0.27 -0.07 0.00 -1.01 0.00 0.00 57.07 56.23 3i7p s TYR 828 Cb -0.20 -2.00 0.04 0.00 -0.11 0.00 0.00 41.96 39.68 3i7p s TYR 828 CO 0.00 -0.01 0.12 -0.06 -1.11 0.00 0.00 175.55 174.49 3i7p s PHE 829 N -2.36 3.25 -0.16 2.71 0.08 -0.19 -0.98 117.98 120.32 3i7p s PHE 829 Ca 0.42 -1.34 -0.08 0.00 0.12 0.00 0.00 56.93 56.05 3i7p s PHE 829 Cb -0.10 -2.29 -0.04 0.00 -0.57 0.00 0.00 43.02 40.01 3i7p s PHE 829 CO 0.36 -0.71 0.13 0.42 -0.10 0.00 0.00 175.22 175.32 3i7p s ILE 830 N 1.43 5.43 -0.21 0.64 1.01 0.25 -1.72 121.20 128.03 3i7p s ILE 830 Ca -0.01 0.19 0.00 0.00 0.00 0.00 0.00 60.65 60.83 3i7p s ILE 830 Cb -0.19 -3.42 0.05 0.00 0.01 0.00 0.00 42.46 38.91 3i7p s ILE 830 CO 0.03 0.53 -0.06 -0.69 0.00 0.00 0.00 174.94 174.76 3i7p s VAL 831 N -0.35 1.40 0.30 2.92 1.01 -0.71 -0.52 120.40 124.46 3i7p s VAL 831 Ca 0.11 -1.03 -0.19 0.00 0.00 0.00 0.00 61.98 60.88 3i7p s VAL 831 Cb -0.12 -1.63 -0.09 0.00 0.00 0.00 0.00 36.38 34.54 3i7p s VAL 831 CO 0.01 -0.02 0.80 -0.83 0.00 0.00 0.00 175.10 175.06 3i7p s GLY 832 N 1.47 2.52 0.15 4.51 0.00 -0.83 -1.92 107.32 113.22 3i7p s GLY 832 Ca -0.03 0.21 0.02 0.00 0.00 0.00 0.00 44.72 44.92 3i7p s GLY 832 CO -0.07 0.52 0.09 -1.30 0.00 0.00 0.00 173.10 172.34 3i7p n THR 833 N 0.13 0.00 -3.64 0.90 -2.24 -0.32 -1.25 114.28 107.86 3i7p n THR 833 Ca 0.02 -0.98 -0.05 0.00 -2.27 0.00 0.00 64.05 60.76 3i7p n THR 833 Cb 0.52 0.42 -0.07 0.00 -2.10 0.00 0.00 70.33 69.11 3i7p n THR 833 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i7p s ALA 834 N -2.50 -2.13 0.01 6.98 0.00 -0.36 -2.63 121.76 121.12 3i7p s ALA 834 Ca 0.12 2.07 -0.14 0.00 0.00 0.00 0.00 51.96 54.02 3i7p s ALA 834 Cb 0.01 -1.59 -0.06 0.00 0.00 0.00 0.00 23.12 21.48 3i7p s ALA 834 CO 0.09 -0.30 0.39 -1.64 0.00 0.00 0.00 175.76 174.30 3i7p s MET 835 N 0.88 3.87 -0.05 0.00 -1.94 0.18 0.02 119.30 122.26 3i7p s MET 835 Ca -0.04 0.35 -0.02 0.00 -1.71 0.00 0.00 55.69 54.28 3i7p s MET 835 Cb -0.04 -3.18 0.04 0.00 2.01 0.00 0.00 34.83 33.65 3i7p s MET 835 CO -0.12 0.68 0.10 0.08 -0.01 0.00 0.00 175.02 175.75 3i7p s VAL 836 N -1.13 -0.06 -0.06 -6.03 1.01 -0.15 -4.43 120.40 109.57 3i7p s VAL 836 Ca 0.25 0.20 -0.00 0.00 0.00 0.00 0.00 61.98 62.43 3i7p s VAL 836 Cb -0.16 -0.18 0.02 0.00 0.00 0.00 0.00 36.38 36.07 3i7p s VAL 836 CO 0.14 0.08 -0.02 -0.31 0.00 0.00 0.00 175.10 174.98 3i7p s TYR 837 N 1.17 0.72 0.49 5.22 1.51 -1.26 -4.84 117.35 120.36 3i7p s TYR 837 Ca -0.09 -0.20 0.36 0.00 -1.01 0.00 0.00 57.07 56.13 3i7p s TYR 837 Cb -0.12 -0.73 1.51 0.00 -0.11 0.00 0.00 41.96 42.51 3i7p s TYR 837 CO -0.05 -0.26 1.67 -1.35 -1.11 0.00 0.00 175.55 174.45 3i7p h PRO 838 N 7.69 0.07 0.00 -1.71 0.11 -2.01 -1.51 132.00 134.64 3i7p h PRO 838 Ca -0.31 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 3i7p h PRO 838 Cb 1.14 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3i7p h PRO 838 CO 0.38 0.05 0.00 -0.85 -0.21 0.00 0.00 178.00 177.37 3i7p n GLU 839 N -4.35 0.00 -1.50 1.05 0.00 -1.26 -4.80 120.64 109.78 3i7p n GLU 839 Ca 0.35 0.38 -0.50 0.00 0.00 0.00 0.00 57.16 57.39 3i7p n GLU 839 Cb 1.50 -1.30 -0.04 0.00 0.00 0.00 0.00 31.44 31.60 3i7p n GLU 839 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 3i7p n GLU 840 N -1.63 0.53 0.12 3.44 1.02 -0.57 -4.83 120.64 118.72 3i7p n GLU 840 Ca 0.00 0.19 0.12 0.00 -0.02 0.00 0.00 57.16 57.45 3i7p n GLU 840 Cb 0.00 -1.49 0.46 0.00 -0.02 0.00 0.00 31.44 30.39 3i7p n GLU 840 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3i7p n ALA 841 N 0.79 1.92 0.00 0.62 0.00 -1.26 -4.74 120.51 117.84 3i7p n ALA 841 Ca 0.16 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.64 3i7p n ALA 841 Cb 0.22 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.25 3i7p n ALA 841 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3i7p n GLU 842 N -2.22 0.00 -1.82 0.00 2.13 -1.26 -5.15 120.64 112.32 3i7p n GLU 842 Ca 0.04 0.00 -0.39 0.00 0.66 0.00 0.00 57.16 57.46 3i7p n GLU 842 Cb 0.31 0.00 0.02 0.00 0.27 0.00 0.00 31.44 32.04 3i7p n GLU 842 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 3i7p s PRO 843 N 0.00 3.56 0.00 5.31 0.04 -1.26 -4.91 135.00 137.74 3i7p s PRO 843 Ca 0.00 2.34 0.16 0.00 0.04 0.00 0.00 61.00 63.54 3i7p s PRO 843 Cb 0.00 -2.55 0.45 0.00 0.04 0.00 0.00 34.50 32.44 3i7p s PRO 843 CO 0.00 -0.89 1.37 0.36 0.04 0.00 0.00 177.00 177.88 3i7p n LYS 844 N -0.40 2.80 -3.60 4.56 0.00 -1.26 -4.35 118.16 115.90 3i7p n LYS 844 Ca 0.06 -2.31 -0.15 0.00 -0.00 0.00 0.00 58.31 55.91 3i7p n LYS 844 Cb 0.43 -1.40 -0.07 0.00 -0.00 0.00 0.00 35.03 33.99 3i7p n LYS 844 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.40 178.54 3i7p s GLN 845 N -1.00 0.89 0.05 -1.58 -2.07 -1.24 -3.41 119.66 111.30 3i7p s GLN 845 Ca 0.34 0.77 -0.04 0.00 -1.82 0.00 0.00 55.36 54.62 3i7p s GLN 845 Cb 0.18 0.43 0.01 0.00 -1.09 0.00 0.00 33.01 32.54 3i7p s GLN 845 CO 0.23 -0.16 0.18 0.41 -1.32 0.00 0.00 175.29 174.63 3i7p n GLY 846 N 2.15 1.39 3.24 2.60 0.00 0.99 0.51 105.19 116.08 3i7p n GLY 846 Ca -0.15 -1.00 -0.13 0.00 0.00 0.00 0.00 46.02 44.74 3i7p n GLY 846 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3i7p s ARG 847 N -2.01 0.45 -0.00 1.61 1.70 -1.24 0.32 118.95 119.78 3i7p s ARG 847 Ca 0.04 0.38 -0.24 0.00 -0.47 0.00 0.00 55.73 55.44 3i7p s ARG 847 Cb -0.01 0.22 -0.05 0.00 -0.57 0.00 0.00 34.95 34.54 3i7p s ARG 847 CO 0.01 -0.07 0.75 0.42 -1.08 0.00 0.00 175.30 175.33 3i7p s ILE 848 N -0.05 4.86 -0.04 4.99 1.01 -0.72 -1.17 121.20 130.09 3i7p s ILE 848 Ca -0.02 1.57 0.05 0.00 0.00 0.00 0.00 60.65 62.25 3i7p s ILE 848 Cb -0.03 -4.09 -0.01 0.00 0.01 0.00 0.00 42.46 38.34 3i7p s ILE 848 CO 0.01 0.31 -0.18 -0.69 0.00 0.00 0.00 174.94 174.40 3i7p s VAL 849 N 0.31 1.45 -0.22 2.92 1.01 -0.81 -2.06 120.40 123.01 3i7p s VAL 849 Ca 0.39 -0.74 -0.01 0.00 0.00 0.00 0.00 61.98 61.61 3i7p s VAL 849 Cb -0.19 -1.24 0.01 0.00 0.00 0.00 0.00 36.38 34.96 3i7p s VAL 849 CO 0.21 0.42 -0.10 -0.69 0.00 0.00 0.00 175.10 174.93 3i7p s VAL 850 N -0.08 2.73 0.29 2.92 1.01 -0.37 -1.73 120.40 125.17 3i7p s VAL 850 Ca -0.01 -0.84 0.11 0.00 0.00 0.00 0.00 61.98 61.24 3i7p s VAL 850 Cb -0.10 -2.27 -0.05 0.00 0.00 0.00 0.00 36.38 33.95 3i7p s VAL 850 CO 0.02 0.38 -0.18 -0.36 0.00 0.00 0.00 175.10 174.96 3i7p s PHE 851 N 1.36 2.30 -0.01 5.22 0.40 -0.70 -0.21 117.98 126.34 3i7p s PHE 851 Ca 0.03 -0.37 -0.01 0.00 -0.60 0.00 0.00 56.93 55.99 3i7p s PHE 851 Cb -0.15 -1.06 0.00 0.00 0.51 0.00 0.00 43.02 42.33 3i7p s PHE 851 CO -0.07 0.69 0.02 -1.14 0.70 0.00 0.00 175.22 175.42 3i7p s GLN 852 N -3.53 0.02 -0.14 0.44 0.74 -0.96 -1.02 119.66 115.21 3i7p s GLN 852 Ca 0.30 0.04 -0.04 0.00 0.05 0.00 0.00 55.36 55.71 3i7p s GLN 852 Cb -0.04 -0.01 -0.03 0.00 1.10 0.00 0.00 33.01 34.03 3i7p s GLN 852 CO 0.15 -0.02 0.01 -0.47 -0.55 0.00 0.00 175.29 174.42 3i7p s TYR 853 N 0.09 3.17 0.00 1.67 5.04 -1.25 -0.55 117.35 125.52 3i7p s TYR 853 Ca -0.01 0.03 0.00 0.00 -2.44 0.00 0.00 57.07 54.66 3i7p s TYR 853 Cb -0.01 -1.93 0.00 0.00 0.35 0.00 0.00 41.96 40.37 3i7p s TYR 853 CO -0.00 0.24 0.00 0.43 -1.34 0.00 0.00 175.55 174.88 3i7p n SER 854 N 2.95 0.00 0.26 4.32 7.64 0.98 -4.90 113.62 124.87 3i7p n SER 854 Ca -0.18 0.00 0.12 0.00 1.01 0.00 0.00 58.87 59.82 3i7p n SER 854 Cb 0.53 0.00 0.68 0.00 -1.01 0.00 0.00 64.21 64.41 3i7p n SER 854 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 3i7p h ASP 855 N 0.00 0.00 0.00 6.43 5.19 -2.03 -3.41 116.42 122.60 3i7p h ASP 855 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3i7p h ASP 855 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 3i7p h ASP 855 CO 0.00 0.14 0.00 0.61 -3.12 0.00 0.00 179.24 176.87 3i7p n GLY 856 N -0.61 0.00 3.92 2.75 0.00 -1.26 -5.16 105.19 104.83 3i7p n GLY 856 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 3i7p n GLY 856 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i7p s LYS 857 N 0.00 3.44 -0.26 1.61 -0.14 -1.26 -4.88 119.74 118.25 3i7p s LYS 857 Ca 0.00 -0.43 0.02 0.00 -1.36 0.00 0.00 55.97 54.20 3i7p s LYS 857 Cb 0.00 -3.04 0.05 0.00 -1.68 0.00 0.00 37.83 33.16 3i7p s LYS 857 CO 0.00 0.61 -0.10 -1.17 -0.76 0.00 0.00 175.35 173.93 3i7p s LEU 858 N -2.46 3.38 -0.18 3.17 1.98 -1.26 -0.01 118.68 123.29 3i7p s LEU 858 Ca 0.34 -1.31 -0.04 0.00 -2.89 0.00 0.00 54.13 50.24 3i7p s LEU 858 Cb -0.13 -1.57 -0.02 0.00 0.66 0.00 0.00 46.19 45.13 3i7p s LEU 858 CO 0.27 -0.18 -0.03 -1.58 -1.89 0.00 0.00 176.35 172.94 3i7p s GLN 859 N 1.14 3.58 -0.89 1.98 0.74 0.29 -4.95 119.66 121.55 3i7p s GLN 859 Ca -0.07 -0.55 -0.24 0.00 0.05 0.00 0.00 55.36 54.55 3i7p s GLN 859 Cb -0.19 -2.98 -0.19 0.00 1.10 0.00 0.00 33.01 30.75 3i7p s GLN 859 CO -0.05 0.07 2.21 2.41 -0.55 0.00 0.00 175.29 179.38 3i7p n THR 860 N 4.04 0.00 0.29 -0.34 -1.04 -1.26 -2.26 114.28 113.72 3i7p n THR 860 Ca -0.17 -0.29 0.16 0.00 -2.04 0.00 0.00 64.05 61.70 3i7p n THR 860 Cb 0.52 -1.78 0.74 0.00 -1.82 0.00 0.00 70.33 67.99 3i7p n THR 860 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 3i7p h VAL 861 N 7.21 0.00 0.00 12.58 2.07 -0.92 -3.46 116.25 133.72 3i7p h VAL 861 Ca 0.00 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.35 3i7p h VAL 861 Cb 1.01 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 3i7p h VAL 861 CO 1.04 0.00 0.00 0.00 0.02 0.00 0.00 177.57 178.63 3i7p n ALA 862 N -1.92 0.00 -3.89 1.67 0.00 -1.07 -4.98 120.51 110.31 3i7p n ALA 862 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i7p n ALA 862 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.60 3i7p n ALA 862 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3i7p n GLU 863 N -0.46 1.96 0.00 0.00 0.28 -1.26 -1.23 120.64 119.93 3i7p n GLU 863 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 3i7p n GLU 863 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 3i7p n GLU 863 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 3i7p n LYS 864 N 0.00 0.00 -1.29 3.44 3.00 -0.87 -4.67 118.16 117.77 3i7p n LYS 864 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 58.31 58.00 3i7p n LYS 864 Cb 0.00 0.00 0.09 0.00 0.00 0.00 0.00 35.03 35.12 3i7p n LYS 864 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 3i7p s GLU 865 N 0.00 2.26 0.10 1.64 2.12 -1.26 -1.75 118.70 121.80 3i7p s GLU 865 Ca 0.00 1.21 -0.18 0.00 0.36 0.00 0.00 54.97 56.37 3i7p s GLU 865 Cb 0.00 -1.90 0.04 0.00 0.26 0.00 0.00 34.13 32.53 3i7p s GLU 865 CO 0.00 -1.64 0.43 0.14 -0.54 0.00 0.00 175.26 173.64 3i7p s VAL 866 N -2.82 0.06 -0.37 3.70 -7.23 0.15 -4.77 120.40 109.12 3i7p s VAL 866 Ca 0.62 -0.47 0.08 0.00 -1.81 0.00 0.00 61.98 60.40 3i7p s VAL 866 Cb -0.18 -1.08 0.64 0.00 0.56 0.00 0.00 36.38 36.33 3i7p s VAL 866 CO 0.54 -0.26 1.64 0.29 -0.31 0.00 0.00 175.10 177.00 3i7p n LYS 867 N 0.04 3.41 -0.30 4.82 5.02 -1.26 -0.01 118.16 129.88 3i7p n LYS 867 Ca -0.17 -2.59 0.00 0.00 -2.02 0.00 0.00 58.31 53.53 3i7p n LYS 867 Cb 0.62 -2.08 0.00 0.00 -0.02 0.00 0.00 35.03 33.55 3i7p n LYS 867 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i7p n GLY 868 N -0.03 3.30 3.63 0.72 0.00 -1.22 -3.62 105.19 107.97 3i7p n GLY 868 Ca 0.34 -0.98 -0.38 0.00 0.00 0.00 0.00 46.02 45.00 3i7p n GLY 868 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i7p s ALA 869 N -1.25 3.57 -0.98 4.61 0.00 -1.26 -1.31 121.76 125.14 3i7p s ALA 869 Ca 0.00 -0.85 -0.22 0.00 0.00 0.00 0.00 51.96 50.90 3i7p s ALA 869 Cb 0.00 -2.55 0.07 0.00 0.00 0.00 0.00 23.12 20.65 3i7p s ALA 869 CO 0.00 -0.45 1.35 0.08 0.00 0.00 0.00 175.76 176.74 3i7p s VAL 870 N 1.60 4.16 0.03 0.00 1.01 -1.08 -2.19 120.40 123.93 3i7p s VAL 870 Ca 0.12 -0.97 0.19 0.00 0.00 0.00 0.00 61.98 61.33 3i7p s VAL 870 Cb -0.15 -4.97 0.15 0.00 0.00 0.00 0.00 36.38 31.41 3i7p s VAL 870 CO 0.08 -1.81 1.66 1.88 0.00 0.00 0.00 175.10 176.92 3i7p h TYR 871 N 9.52 0.00 -1.63 5.22 -1.99 -1.75 -3.35 116.97 122.98 3i7p h TYR 871 Ca 0.17 0.00 0.13 0.00 2.00 0.00 0.00 58.73 61.04 3i7p h TYR 871 Cb 1.02 0.00 -0.21 0.00 2.00 0.00 0.00 36.73 39.53 3i7p h TYR 871 CO 1.24 0.36 0.63 -1.54 -0.00 0.00 0.00 178.16 178.84 3i7p s SER 872 N -6.35 -0.29 -0.12 3.88 1.04 -1.26 -4.60 113.70 105.99 3i7p s SER 872 Ca 0.02 0.21 -0.09 0.00 0.48 0.00 0.00 55.95 56.57 3i7p s SER 872 Cb 0.09 0.26 0.04 0.00 0.10 0.00 0.00 66.02 66.51 3i7p s SER 872 CO 0.69 -0.34 0.31 0.00 0.98 0.00 0.00 173.24 174.87 3i7p s MET 873 N -1.73 0.32 0.39 4.02 0.23 -1.26 -1.11 119.30 120.17 3i7p s MET 873 Ca 0.03 0.51 0.08 0.00 -1.03 0.00 0.00 55.69 55.28 3i7p s MET 873 Cb -0.01 0.06 -0.04 0.00 -1.53 0.00 0.00 34.83 33.31 3i7p s MET 873 CO -0.03 -0.09 0.23 0.54 -2.03 0.00 0.00 175.02 173.64 3i7p s VAL 874 N 0.67 2.63 -0.32 5.16 0.11 -0.29 -4.71 120.40 123.64 3i7p s VAL 874 Ca -0.04 -1.58 -0.21 0.00 -2.93 0.00 0.00 61.98 57.22 3i7p s VAL 874 Cb -0.05 -3.00 -0.00 0.00 -1.53 0.00 0.00 36.38 31.79 3i7p s VAL 874 CO -0.04 -0.05 0.68 -0.70 -3.33 0.00 0.00 175.10 171.66 3i7p s GLU 875 N -3.96 3.88 0.00 1.54 -6.30 -1.26 -2.53 118.70 110.06 3i7p s GLU 875 Ca 0.42 0.34 0.00 0.00 -2.50 0.00 0.00 54.97 53.24 3i7p s GLU 875 Cb -0.00 -3.74 0.00 0.00 0.00 0.00 0.00 34.13 30.39 3i7p s GLU 875 CO 0.24 -0.64 0.00 0.34 0.02 0.00 0.00 175.26 175.23 3i7p n PHE 876 N 6.02 0.00 -3.50 5.30 7.35 -0.28 -4.89 117.46 127.45 3i7p n PHE 876 Ca 0.00 0.00 -0.29 0.00 -0.76 0.00 0.00 57.45 56.41 3i7p n PHE 876 Cb 0.49 0.00 -0.12 0.00 0.35 0.00 0.00 39.48 40.20 3i7p n PHE 876 CO 0.00 0.00 0.00 -0.80 -0.76 0.00 0.00 176.76 175.20 3i7p s ASN 877 N -1.00 2.82 0.00 -2.13 0.01 -1.26 -4.78 114.94 108.60 3i7p s ASN 877 Ca 0.00 -2.47 0.00 0.00 -0.71 0.00 0.00 52.86 49.68 3i7p s ASN 877 Cb 0.00 -0.54 0.00 0.00 0.41 0.00 0.00 41.25 41.12 3i7p s ASN 877 CO 0.00 -0.27 0.00 0.61 -1.51 0.00 0.00 177.10 175.93 3i7p n GLY 878 N 3.67 0.00 3.77 0.66 0.00 -1.26 -4.86 105.19 107.17 3i7p n GLY 878 Ca 0.15 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.95 3i7p n GLY 878 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i7p s LYS 879 N -1.32 2.67 -0.55 1.61 1.02 -1.26 -0.19 119.74 121.72 3i7p s LYS 879 Ca 0.00 -1.23 -0.03 0.00 0.02 0.00 0.00 55.97 54.73 3i7p s LYS 879 Cb 0.00 -2.40 0.14 0.00 -0.52 0.00 0.00 37.83 35.05 3i7p s LYS 879 CO 0.00 0.34 0.37 -1.17 -0.92 0.00 0.00 175.35 173.96 3i7p s LEU 880 N -3.81 5.31 0.22 3.17 2.96 -0.52 -1.13 118.68 124.88 3i7p s LEU 880 Ca 0.34 -2.54 -0.30 0.00 -0.22 0.00 0.00 54.13 51.41 3i7p s LEU 880 Cb -0.07 -1.86 -0.09 0.00 0.50 0.00 0.00 46.19 44.67 3i7p s LEU 880 CO 0.23 -0.45 1.14 -0.22 -1.32 0.00 0.00 176.35 175.73 3i7p s LEU 881 N 0.41 4.50 -0.29 -0.68 2.96 -1.05 -0.59 118.68 123.93 3i7p s LEU 881 Ca 0.14 2.22 0.03 0.00 -0.22 0.00 0.00 54.13 56.29 3i7p s LEU 881 Cb -0.21 -3.61 0.19 0.00 0.50 0.00 0.00 46.19 43.05 3i7p s LEU 881 CO -0.04 -0.25 0.56 0.00 -1.32 0.00 0.00 176.35 175.31 3i7p s ALA 882 N -0.54 -2.16 -0.01 5.97 0.00 0.65 -1.14 121.76 124.53 3i7p s ALA 882 Ca 0.49 1.27 -0.37 0.00 0.00 0.00 0.00 51.96 53.35 3i7p s ALA 882 Cb -0.32 -2.31 -0.15 0.00 0.00 0.00 0.00 23.12 20.34 3i7p s ALA 882 CO 0.38 -1.61 1.57 -1.13 0.00 0.00 0.00 175.76 174.97 3i7p n SER 883 N 5.41 2.39 -3.80 0.00 3.41 -0.27 -2.84 113.62 117.94 3i7p n SER 883 Ca 0.02 1.08 -0.30 0.00 -0.26 0.00 0.00 58.87 59.41 3i7p n SER 883 Cb 0.52 -1.26 -0.14 0.00 -0.26 0.00 0.00 64.21 63.07 3i7p n SER 883 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3i7p s ILE 884 N 1.82 1.39 0.00 -1.33 1.01 0.82 -2.50 121.20 122.42 3i7p s ILE 884 Ca 0.88 -2.00 0.00 0.00 0.00 0.00 0.00 60.65 59.53 3i7p s ILE 884 Cb -0.88 -2.02 0.00 0.00 0.01 0.00 0.00 42.46 39.57 3i7p s ILE 884 CO 0.50 -0.73 0.00 -3.20 0.00 0.00 0.00 174.94 171.51 3i7p n ASN 885 N 4.29 0.00 0.00 3.58 4.05 -0.93 -0.25 115.26 125.99 3i7p n ASN 885 Ca 0.02 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.05 3i7p n ASN 885 Cb 0.39 -0.73 0.00 0.00 1.23 0.00 0.00 39.78 40.67 3i7p n ASN 885 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 177.26 173.97 3i7p n SER 886 N 0.00 0.00 -4.83 1.20 2.88 -1.26 -4.57 113.62 107.03 3i7p n SER 886 Ca 0.00 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.20 3i7p n SER 886 Cb 0.00 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.40 3i7p n SER 886 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 3i7p s THR 887 N 0.00 4.62 -0.30 2.46 2.01 0.65 -3.85 115.64 121.21 3i7p s THR 887 Ca 0.00 1.13 0.02 0.00 0.31 0.00 0.00 61.69 63.15 3i7p s THR 887 Cb 0.00 -3.73 0.08 0.00 0.01 0.00 0.00 72.50 68.86 3i7p s THR 887 CO 0.00 -0.00 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.22 3i7p s VAL 888 N -1.77 2.39 0.06 3.82 1.01 0.02 -0.12 120.40 125.81 3i7p s VAL 888 Ca 0.49 -1.90 0.03 0.00 0.00 0.00 0.00 61.98 60.60 3i7p s VAL 888 Cb -0.13 -2.55 -0.04 0.00 0.00 0.00 0.00 36.38 33.66 3i7p s VAL 888 CO 0.19 -0.30 0.02 -0.60 0.00 0.00 0.00 175.10 174.41 3i7p s ARG 889 N 1.05 2.71 -0.38 2.72 3.52 -1.13 -1.60 118.95 125.84 3i7p s ARG 889 Ca 0.00 -0.73 0.01 0.00 -0.13 0.00 0.00 55.73 54.88 3i7p s ARG 889 Cb -0.20 -2.63 0.11 0.00 -1.56 0.00 0.00 34.95 30.67 3i7p s ARG 889 CO -0.06 0.57 0.13 -1.17 -0.81 0.00 0.00 175.30 173.97 3i7p s LEU 890 N -2.09 4.97 0.49 -0.88 2.96 -0.48 -0.25 118.68 123.40 3i7p s LEU 890 Ca 0.25 -2.15 -0.06 0.00 -0.22 0.00 0.00 54.13 51.95 3i7p s LEU 890 Cb -0.12 -1.72 -0.04 0.00 0.50 0.00 0.00 46.19 44.82 3i7p s LEU 890 CO 0.17 -0.44 0.80 -0.31 -1.32 0.00 0.00 176.35 175.25 3i7p s TYR 891 N 0.94 3.57 0.01 5.38 1.51 0.24 -2.71 117.35 126.28 3i7p s TYR 891 Ca 0.10 0.85 0.05 0.00 -1.01 0.00 0.00 57.07 57.06 3i7p s TYR 891 Cb -0.21 -2.33 -0.02 0.00 -0.11 0.00 0.00 41.96 39.29 3i7p s TYR 891 CO -0.06 -0.31 -0.14 -1.21 -1.11 0.00 0.00 175.55 172.72 3i7p s GLU 892 N -4.77 1.06 -0.54 -0.62 2.02 -0.54 -1.44 118.70 113.87 3i7p s GLU 892 Ca 0.48 -0.61 -0.26 0.00 0.02 0.00 0.00 54.97 54.60 3i7p s GLU 892 Cb -0.10 -1.05 0.03 0.00 0.10 0.00 0.00 34.13 33.11 3i7p s GLU 892 CO 0.46 0.28 1.04 -0.46 0.02 0.00 0.00 175.26 176.59 3i7p s TRP 893 N -0.53 2.76 0.84 1.61 -0.00 -1.26 0.56 118.94 122.92 3i7p s TRP 893 Ca 0.04 0.26 -0.14 0.00 -0.00 0.00 0.00 56.10 56.26 3i7p s TRP 893 Cb -0.06 -4.23 0.00 0.00 -0.00 0.00 0.00 33.47 29.18 3i7p s TRP 893 CO 0.00 -1.37 0.49 0.25 -0.00 0.00 0.00 176.95 176.32 3i7p n THR 894 N 6.45 0.92 0.20 5.86 -2.24 0.52 -4.77 114.28 121.22 3i7p n THR 894 Ca 0.06 -0.29 0.09 0.00 -2.27 0.00 0.00 64.05 61.63 3i7p n THR 894 Cb 0.48 -0.70 0.30 0.00 -2.10 0.00 0.00 70.33 68.32 3i7p n THR 894 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 3i7p h THR 895 N -0.98 0.49 0.00 4.28 1.35 -1.96 -0.73 112.91 115.36 3i7p h THR 895 Ca -0.45 -1.36 0.00 0.00 -0.55 0.00 0.00 66.41 64.06 3i7p h THR 895 Cb 1.31 1.97 0.00 0.00 -1.73 0.00 0.00 68.15 69.71 3i7p h THR 895 CO 0.38 0.24 0.00 -0.62 -0.25 0.00 0.00 175.52 175.27 3i7p n GLU 896 N -3.26 0.01 -2.65 4.72 1.02 -1.26 -4.89 120.64 114.33 3i7p n GLU 896 Ca 0.01 0.42 -0.09 0.00 -0.02 0.00 0.00 57.16 57.48 3i7p n GLU 896 Cb 0.52 -1.50 0.05 0.00 -0.02 0.00 0.00 31.44 30.49 3i7p n GLU 896 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3i7p n LYS 897 N -1.45 -2.05 -4.12 3.49 5.02 -0.28 -5.10 118.16 113.67 3i7p n LYS 897 Ca 0.01 0.53 -0.15 0.00 -2.02 0.00 0.00 58.31 56.68 3i7p n LYS 897 Cb 0.03 -4.25 -0.12 0.00 -0.02 0.00 0.00 35.03 30.66 3i7p n LYS 897 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3i7p s ASP 898 N -3.39 0.94 -0.25 4.39 3.68 -1.25 -4.86 116.67 115.94 3i7p s ASP 898 Ca 0.21 -0.45 -0.29 0.00 2.13 0.00 0.00 52.55 54.15 3i7p s ASP 898 Cb -0.03 -0.01 0.01 0.00 -1.45 0.00 0.00 42.92 41.45 3i7p s ASP 898 CO 0.45 -0.12 1.04 0.68 0.13 0.00 0.00 175.17 177.35 3i7p s VAL 899 N -1.06 4.65 -0.09 1.11 -7.23 -1.26 -0.36 120.40 116.16 3i7p s VAL 899 Ca -0.06 1.94 0.02 0.00 -1.81 0.00 0.00 61.98 62.08 3i7p s VAL 899 Cb -0.08 -4.32 0.01 0.00 0.56 0.00 0.00 36.38 32.55 3i7p s VAL 899 CO 0.00 -0.24 -0.16 0.00 -0.31 0.00 0.00 175.10 174.39 3i7p s ARG 900 N 3.28 2.25 0.27 4.82 1.04 0.19 -4.90 118.95 125.91 3i7p s ARG 900 Ca 0.44 -0.59 -0.27 0.00 -1.04 0.00 0.00 55.73 54.27 3i7p s ARG 900 Cb -0.14 -1.84 -0.15 0.00 -2.04 0.00 0.00 34.95 30.77 3i7p s ARG 900 CO 0.08 0.02 0.65 2.41 -0.04 0.00 0.00 175.30 178.42 3i7p n THR 901 N 3.93 1.88 -0.01 4.99 -1.04 -1.26 -1.47 114.28 121.31 3i7p n THR 901 Ca -0.20 -0.50 -0.01 0.00 -2.04 0.00 0.00 64.05 61.29 3i7p n THR 901 Cb 0.52 -0.40 -0.01 0.00 -1.82 0.00 0.00 70.33 68.62 3i7p n THR 901 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 3i7p n GLU 902 N 0.87 0.03 -3.84 -2.82 2.13 -1.10 -4.81 120.64 111.11 3i7p n GLU 902 Ca 0.14 0.01 -0.07 0.00 0.66 0.00 0.00 57.16 57.90 3i7p n GLU 902 Cb 0.30 -0.75 -0.02 0.00 0.27 0.00 0.00 31.44 31.24 3i7p n GLU 902 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3i7p s ASN 904 N -2.91 -0.49 -0.11 0.00 2.20 -1.26 -1.38 114.94 110.98 3i7p s ASN 904 Ca 0.11 0.54 -0.06 0.00 -0.94 0.00 0.00 52.86 52.51 3i7p s ASN 904 Cb -0.05 0.53 -0.04 0.00 -2.00 0.00 0.00 41.25 39.69 3i7p s ASN 904 CO 0.06 -0.51 0.12 -2.28 -2.94 0.00 0.00 177.10 171.55 3i7p s HIS 905 N -1.07 3.52 -0.01 1.54 5.65 -0.63 -4.85 115.29 119.44 3i7p s HIS 905 Ca -0.11 0.47 0.05 0.00 0.25 0.00 0.00 55.06 55.73 3i7p s HIS 905 Cb -0.02 -1.91 -0.08 0.00 -1.18 0.00 0.00 32.58 29.38 3i7p s HIS 905 CO 0.07 0.69 0.12 0.66 -0.65 0.00 0.00 174.74 175.63 3i7p n TYR 906 N 2.02 0.00 -1.29 3.88 4.02 -1.26 -0.80 117.16 123.73 3i7p n TYR 906 Ca -0.20 0.00 -0.37 0.00 -0.01 0.00 0.00 57.90 57.32 3i7p n TYR 906 Cb 0.55 -0.12 -0.02 0.00 -0.02 0.00 0.00 39.34 39.72 3i7p n TYR 906 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 3i7p n ASN 907 N -1.68 6.00 -3.87 7.72 4.05 -1.26 -4.65 115.26 121.57 3i7p n ASN 907 Ca -0.01 -2.60 -0.12 0.00 0.45 0.00 0.00 54.58 52.30 3i7p n ASN 907 Cb 0.14 -1.44 -0.14 0.00 1.23 0.00 0.00 39.78 39.57 3i7p n ASN 907 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 177.26 174.41 3i7p s ASN 908 N 3.01 0.00 0.19 1.20 0.01 -1.25 -5.02 114.94 113.08 3i7p s ASN 908 Ca 0.56 -0.00 -0.11 0.00 -0.71 0.00 0.00 52.86 52.60 3i7p s ASN 908 Cb 0.15 0.02 0.10 0.00 0.41 0.00 0.00 41.25 41.93 3i7p s ASN 908 CO -0.04 -0.02 1.77 -0.29 -1.51 0.00 0.00 177.10 177.01 3i7p h ILE 909 N 5.11 1.23 -0.21 0.60 6.09 -1.87 -3.44 117.51 125.02 3i7p h ILE 909 Ca -0.24 -0.66 0.22 0.00 -1.37 0.00 0.00 64.86 62.80 3i7p h ILE 909 Cb 1.21 0.44 -0.18 0.00 0.47 0.00 0.00 36.82 38.76 3i7p h ILE 909 CO 0.50 0.27 -0.01 -0.32 -3.07 0.00 0.00 178.15 175.52 3i7p s MET 910 N -5.66 0.12 -0.41 2.19 0.00 -1.26 -4.66 119.30 109.62 3i7p s MET 910 Ca -0.13 0.09 -0.28 0.00 0.00 0.00 0.00 55.69 55.38 3i7p s MET 910 Cb 0.14 0.05 -0.02 0.00 0.00 0.00 0.00 34.83 35.00 3i7p s MET 910 CO 0.80 -0.22 1.82 0.00 0.00 0.00 0.00 175.02 177.42 3i7p s ALA 911 N 2.84 2.66 -0.27 4.11 0.00 -1.26 -1.99 121.76 127.85 3i7p s ALA 911 Ca 0.27 0.02 0.22 0.00 0.00 0.00 0.00 51.96 52.47 3i7p s ALA 911 Cb -0.01 -4.09 -0.16 0.00 0.00 0.00 0.00 23.12 18.86 3i7p s ALA 911 CO -0.22 -2.99 0.77 1.28 0.00 0.00 0.00 175.76 174.60 3i7p n LEU 912 N 11.02 0.42 -3.73 0.00 4.77 -1.26 -4.64 117.00 123.57 3i7p n LEU 912 Ca 0.23 0.05 -0.14 0.00 -0.03 0.00 0.00 56.01 56.12 3i7p n LEU 912 Cb 0.48 -0.04 -0.09 0.00 -2.33 0.00 0.00 43.42 41.45 3i7p n LEU 912 CO 0.69 -0.03 0.07 -0.31 -1.33 0.00 0.00 177.39 176.49 3i7p s TYR 913 N -3.38 -0.33 0.10 -1.77 1.51 -1.26 -4.53 117.35 107.69 3i7p s TYR 913 Ca -0.03 0.69 -0.08 0.00 -1.01 0.00 0.00 57.07 56.64 3i7p s TYR 913 Cb 0.13 0.14 -0.01 0.00 -0.11 0.00 0.00 41.96 42.12 3i7p s TYR 913 CO 0.85 -0.32 0.19 -0.51 -1.11 0.00 0.00 175.55 174.65 3i7p s LEU 914 N -0.62 1.42 0.26 -1.29 1.43 -1.26 -4.19 118.68 114.44 3i7p s LEU 914 Ca -0.07 -0.74 -0.18 0.00 -1.03 0.00 0.00 54.13 52.11 3i7p s LEU 914 Cb -0.04 0.97 0.01 0.00 0.03 0.00 0.00 46.19 47.17 3i7p s LEU 914 CO 0.03 -0.75 0.61 -0.54 0.23 0.00 0.00 176.35 175.92 3i7p s LYS 915 N -3.89 1.65 -0.17 1.70 -0.14 -1.25 -4.84 119.74 112.79 3i7p s LYS 915 Ca 0.08 -1.07 -0.05 0.00 -1.36 0.00 0.00 55.97 53.58 3i7p s LYS 915 Cb 0.05 0.55 0.08 0.00 -1.68 0.00 0.00 37.83 36.83 3i7p s LYS 915 CO -0.08 -0.72 0.32 0.99 -0.76 0.00 0.00 175.35 175.09 3i7p s THR 916 N -3.95 -0.50 -0.31 2.17 2.01 -1.26 -3.47 115.64 110.33 3i7p s THR 916 Ca 0.15 0.16 -0.20 0.00 0.31 0.00 0.00 61.69 62.11 3i7p s THR 916 Cb -0.03 -0.58 -0.01 0.00 0.01 0.00 0.00 72.50 71.89 3i7p s THR 916 CO 0.06 0.04 0.61 -0.75 -0.69 0.00 0.00 174.62 173.89 3i7p s LYS 917 N 2.48 3.85 0.00 4.92 2.36 -0.33 -4.88 119.74 128.14 3i7p s LYS 917 Ca 0.03 0.21 0.00 0.00 -2.55 0.00 0.00 55.97 53.66 3i7p s LYS 917 Cb -0.13 -3.74 0.00 0.00 -1.05 0.00 0.00 37.83 32.91 3i7p s LYS 917 CO -0.11 -0.59 0.00 0.41 1.55 0.00 0.00 175.35 176.61 3i7p n GLY 918 N 4.50 0.00 0.00 5.54 0.00 -1.26 -3.59 105.19 110.38 3i7p n GLY 918 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 3i7p n GLY 918 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3i7p n ASP 919 N 0.00 0.00 -2.60 1.61 2.03 -1.26 -4.86 116.55 111.47 3i7p n ASP 919 Ca 0.00 0.00 -0.36 0.00 0.52 0.00 0.00 54.79 54.95 3i7p n ASP 919 Cb 0.00 0.00 0.05 0.00 -0.72 0.00 0.00 41.12 40.45 3i7p n ASP 919 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 3i7p n PHE 920 N -0.39 3.10 -5.09 -0.67 3.72 -1.24 -4.95 117.46 111.93 3i7p n PHE 920 Ca 0.00 -2.65 -0.30 0.00 -0.05 0.00 0.00 57.45 54.46 3i7p n PHE 920 Cb 0.00 -1.12 -0.15 0.00 -0.94 0.00 0.00 39.48 37.27 3i7p n PHE 920 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3i7p s ILE 921 N -5.00 1.96 0.22 4.37 1.01 -1.24 0.73 121.20 123.25 3i7p s ILE 921 Ca 0.56 -1.14 0.04 0.00 0.00 0.00 0.00 60.65 60.11 3i7p s ILE 921 Cb 0.46 -1.64 -0.02 0.00 0.01 0.00 0.00 42.46 41.27 3i7p s ILE 921 CO -0.22 0.47 0.16 0.18 0.00 0.00 0.00 174.94 175.53 3i7p n LEU 922 N 2.24 0.00 -3.61 2.97 4.32 -0.78 -1.18 117.00 120.97 3i7p n LEU 922 Ca -0.16 -2.00 -0.08 0.00 -0.02 0.00 0.00 56.01 53.75 3i7p n LEU 922 Cb 0.52 0.98 -0.06 0.00 -1.62 0.00 0.00 43.42 43.24 3i7p n LEU 922 CO 0.23 -0.33 0.86 0.54 -1.22 0.00 0.00 177.39 177.47 3i7p s VAL 923 N -2.79 0.00 0.00 4.08 0.11 -1.23 -1.79 120.40 118.78 3i7p s VAL 923 Ca 0.23 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.28 3i7p s VAL 923 Cb 0.01 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.86 3i7p s VAL 923 CO 0.16 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.54 3i7p n GLY 924 N 1.11 4.42 0.00 6.54 0.00 -1.00 -3.92 105.19 112.34 3i7p n GLY 924 Ca -0.09 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.44 3i7p n GLY 924 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3i7p n ASP 925 N 0.00 0.00 0.14 1.61 2.03 -1.21 -4.25 116.55 114.87 3i7p n ASP 925 Ca 0.00 0.00 -0.14 0.00 0.52 0.00 0.00 54.79 55.17 3i7p n ASP 925 Cb 0.00 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.32 3i7p n ASP 925 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 3i7p h LEU 926 N 0.00 -0.27 -6.50 -2.67 5.85 -1.69 -3.31 115.31 106.72 3i7p h LEU 926 Ca 0.00 -0.09 -0.59 0.00 0.84 0.00 0.00 57.88 58.04 3i7p h LEU 926 Cb 0.00 0.07 -0.39 0.00 0.37 0.00 0.00 40.66 40.71 3i7p h LEU 926 CO 0.00 -0.08 -0.90 0.00 -0.34 0.00 0.00 178.44 177.12 3i7p s MET 927 N -5.58 1.12 0.00 1.25 0.23 -1.26 -1.03 119.30 114.03 3i7p s MET 927 Ca -0.15 -2.24 0.00 0.00 -1.03 0.00 0.00 55.69 52.28 3i7p s MET 927 Cb 0.04 -1.73 0.00 0.00 -1.53 0.00 0.00 34.83 31.61 3i7p s MET 927 CO 0.63 -1.35 0.00 2.89 -2.03 0.00 0.00 175.02 175.15 3i7p n ARG 928 N 2.82 0.00 0.00 3.16 0.00 -0.48 -4.78 116.66 117.38 3i7p n ARG 928 Ca 0.27 0.06 0.00 0.00 -0.00 0.00 0.00 57.85 58.17 3i7p n ARG 928 Cb 0.45 -0.17 0.00 0.00 -0.00 0.00 0.00 32.46 32.74 3i7p n ARG 928 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 3i7p n SER 929 N -0.06 0.00 -3.90 2.89 2.88 -1.26 -4.91 113.62 109.27 3i7p n SER 929 Ca 0.00 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.43 3i7p n SER 929 Cb 0.00 0.39 -0.12 0.00 -0.75 0.00 0.00 64.21 63.72 3i7p n SER 929 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 3i7p s VAL 930 N -0.94 0.04 0.09 2.46 -7.23 -1.26 -3.32 120.40 110.24 3i7p s VAL 930 Ca 0.00 -0.34 0.09 0.00 -1.81 0.00 0.00 61.98 59.92 3i7p s VAL 930 Cb 0.00 -0.16 -0.04 0.00 0.56 0.00 0.00 36.38 36.75 3i7p s VAL 930 CO 0.00 -0.18 -0.21 -0.76 -0.31 0.00 0.00 175.10 173.64 3i7p s LEU 931 N -0.55 2.53 0.05 1.32 1.02 -1.26 -0.71 118.68 121.08 3i7p s LEU 931 Ca -0.06 -0.55 0.08 0.00 0.02 0.00 0.00 54.13 53.62 3i7p s LEU 931 Cb -0.04 -1.44 -0.03 0.00 0.02 0.00 0.00 46.19 44.70 3i7p s LEU 931 CO -0.00 0.21 -0.23 -0.22 0.02 0.00 0.00 176.35 176.13 3i7p s LEU 932 N -1.78 2.34 0.09 1.79 2.96 0.68 -2.39 118.68 122.37 3i7p s LEU 932 Ca 0.15 -0.53 -0.01 0.00 -0.22 0.00 0.00 54.13 53.52 3i7p s LEU 932 Cb -0.10 -1.37 -0.04 0.00 0.50 0.00 0.00 46.19 45.17 3i7p s LEU 932 CO 0.07 0.26 0.01 -0.76 -1.32 0.00 0.00 176.35 174.60 3i7p s LEU 933 N -1.33 2.18 0.18 -0.68 1.02 -0.74 -1.78 118.68 117.53 3i7p s LEU 933 Ca 0.13 -1.09 0.07 0.00 0.02 0.00 0.00 54.13 53.26 3i7p s LEU 933 Cb -0.10 0.23 -0.05 0.00 0.02 0.00 0.00 46.19 46.30 3i7p s LEU 933 CO 0.03 -0.65 -0.14 0.00 0.02 0.00 0.00 176.35 175.61 3i7p s ALA 934 N -3.97 1.86 -0.11 4.21 0.00 -0.53 -1.86 121.76 121.36 3i7p s ALA 934 Ca 0.15 -1.59 -0.06 0.00 0.00 0.00 0.00 51.96 50.46 3i7p s ALA 934 Cb 0.08 -0.07 -0.04 0.00 0.00 0.00 0.00 23.12 23.09 3i7p s ALA 934 CO -0.05 0.05 0.10 -0.47 0.00 0.00 0.00 175.76 175.39 3i7p s TYR 935 N -2.92 3.48 -0.35 0.00 5.04 0.22 -3.12 117.35 119.72 3i7p s TYR 935 Ca 0.20 0.44 -0.02 0.00 -2.44 0.00 0.00 57.07 55.25 3i7p s TYR 935 Cb -0.01 -1.90 0.08 0.00 0.35 0.00 0.00 41.96 40.47 3i7p s TYR 935 CO 0.05 0.66 0.09 0.15 -1.34 0.00 0.00 175.55 175.16 3i7p s LYS 936 N -0.97 2.20 -0.05 4.97 -0.14 -0.28 -4.85 119.74 120.63 3i7p s LYS 936 Ca 0.14 -1.52 -0.01 0.00 -1.36 0.00 0.00 55.97 53.22 3i7p s LYS 936 Cb -0.12 -3.36 -0.02 0.00 -1.68 0.00 0.00 37.83 32.65 3i7p s LYS 936 CO 0.03 -0.82 0.93 -2.30 -0.76 0.00 0.00 175.35 172.43 3i7p n PRO 937 N 4.59 0.25 0.00 -1.68 -0.02 -1.26 -1.24 135.00 135.65 3i7p n PRO 937 Ca -0.08 -0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.12 3i7p n PRO 937 Cb 0.42 -1.72 0.00 0.00 -0.02 0.00 0.00 33.50 32.19 3i7p n PRO 937 CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 3i7p n MET 938 N 3.55 0.00 -0.06 -0.52 1.56 -1.26 -4.75 117.12 115.65 3i7p n MET 938 Ca 0.05 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.49 3i7p n MET 938 Cb 0.07 0.00 0.03 0.00 2.15 0.00 0.00 33.22 35.47 3i7p n MET 938 CO 0.00 0.00 0.00 -0.85 -0.73 0.00 0.00 175.97 174.39 3i7p n GLU 939 N 0.00 1.25 -3.64 2.12 0.28 -1.25 -4.80 120.64 114.61 3i7p n GLU 939 Ca 0.00 -0.20 -0.22 0.00 -0.16 0.00 0.00 57.16 56.58 3i7p n GLU 939 Cb 0.00 -1.53 0.04 0.00 1.43 0.00 0.00 31.44 31.38 3i7p n GLU 939 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3i7p n GLY 940 N 0.06 -0.48 3.98 -1.84 0.00 -0.37 -4.99 105.19 101.56 3i7p n GLY 940 Ca 0.02 0.21 -0.20 0.00 0.00 0.00 0.00 46.02 46.06 3i7p n GLY 940 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3i7p s ASN 941 N -4.15 5.82 -0.27 1.61 3.84 -1.07 -4.47 114.94 116.25 3i7p s ASN 941 Ca 0.11 -0.11 -0.12 0.00 0.21 0.00 0.00 52.86 52.95 3i7p s ASN 941 Cb -0.03 -1.16 -0.05 0.00 -0.55 0.00 0.00 41.25 39.47 3i7p s ASN 941 CO 0.81 -0.62 0.25 -0.36 -2.79 0.00 0.00 177.10 174.39 3i7p s PHE 942 N -2.35 3.23 -0.23 0.43 2.99 -1.26 -1.12 117.98 119.67 3i7p s PHE 942 Ca 0.49 0.22 -0.12 0.00 0.00 0.00 0.00 56.93 57.52 3i7p s PHE 942 Cb -0.10 -2.44 -0.05 0.00 0.00 0.00 0.00 43.02 40.44 3i7p s PHE 942 CO 0.34 -0.17 0.23 -2.00 -0.00 0.00 0.00 175.22 173.62 3i7p s GLU 943 N 1.82 4.09 -0.85 0.44 2.12 -1.18 -4.96 118.70 120.18 3i7p s GLU 943 Ca 0.10 -0.13 -0.24 0.00 0.36 0.00 0.00 54.97 55.05 3i7p s GLU 943 Cb -0.16 -3.55 0.05 0.00 0.26 0.00 0.00 34.13 30.73 3i7p s GLU 943 CO 0.10 0.01 1.29 -2.00 -0.54 0.00 0.00 175.26 174.12 3i7p s GLU 944 N 1.20 3.36 0.12 4.30 2.12 -1.26 -1.46 118.70 127.08 3i7p s GLU 944 Ca 0.11 -0.77 -0.20 0.00 0.36 0.00 0.00 54.97 54.47 3i7p s GLU 944 Cb -0.14 -4.68 -0.06 0.00 0.26 0.00 0.00 34.13 29.51 3i7p s GLU 944 CO 0.06 -2.10 1.75 0.82 -0.54 0.00 0.00 175.26 175.26 3i7p h ILE 945 N 6.28 0.97 -2.49 -3.70 5.03 -1.66 -3.47 117.51 118.47 3i7p h ILE 945 Ca -0.07 -0.06 0.15 0.00 -0.12 0.00 0.00 64.86 64.77 3i7p h ILE 945 Cb 1.04 0.79 -0.07 0.00 -3.03 0.00 0.00 36.82 35.54 3i7p h ILE 945 CO 1.31 0.03 0.43 0.00 -0.68 0.00 0.00 178.15 179.23 3i7p s ALA 946 N -6.18 -1.55 0.19 1.87 0.00 -1.19 -4.42 121.76 110.47 3i7p s ALA 946 Ca -0.13 0.02 -0.08 0.00 0.00 0.00 0.00 51.96 51.76 3i7p s ALA 946 Cb 0.09 0.69 -0.01 0.00 0.00 0.00 0.00 23.12 23.88 3i7p s ALA 946 CO 0.69 -1.05 0.29 -0.98 0.00 0.00 0.00 175.76 174.72 3i7p s ARG 947 N -3.43 1.25 -0.08 0.00 1.70 -0.92 -0.23 118.95 117.25 3i7p s ARG 947 Ca 0.12 -1.29 -0.07 0.00 -0.47 0.00 0.00 55.73 54.02 3i7p s ARG 947 Cb -0.02 0.37 -0.04 0.00 -0.57 0.00 0.00 34.95 34.69 3i7p s ARG 947 CO 0.03 -0.47 0.19 0.34 -1.08 0.00 0.00 175.30 174.32 3i7p s ASP 948 N -3.02 6.45 -0.35 -2.89 -1.08 0.11 -1.37 116.67 114.52 3i7p s ASP 948 Ca 0.23 0.52 0.06 0.00 -0.52 0.00 0.00 52.55 52.84 3i7p s ASP 948 Cb 0.03 -2.08 0.47 0.00 -1.46 0.00 0.00 42.92 39.88 3i7p s ASP 948 CO 0.05 0.36 1.43 0.49 0.52 0.00 0.00 175.17 178.01 3i7p n PHE 949 N 1.72 2.10 -4.16 -5.34 3.01 -1.26 -4.09 117.46 109.44 3i7p n PHE 949 Ca -0.17 -2.12 -0.25 0.00 1.01 0.00 0.00 57.45 55.92 3i7p n PHE 949 Cb 0.54 -0.58 -0.06 0.00 -0.01 0.00 0.00 39.48 39.37 3i7p n PHE 949 CO 0.00 0.00 0.00 -0.80 1.01 0.00 0.00 176.76 176.97 3i7p s ASN 950 N -2.94 5.15 -0.12 4.37 -0.87 -1.26 -5.03 114.94 114.23 3i7p s ASN 950 Ca 0.50 -0.31 -0.00 0.00 -1.57 0.00 0.00 52.86 51.48 3i7p s ASN 950 Cb 0.42 -1.22 0.10 0.00 -0.02 0.00 0.00 41.25 40.53 3i7p s ASN 950 CO 0.01 0.04 1.85 -2.65 -2.57 0.00 0.00 177.10 173.78 3i7p n PRO 951 N -0.53 1.32 -2.33 -0.60 -0.02 -1.26 -4.01 135.00 127.57 3i7p n PRO 951 Ca -0.08 -0.64 -0.43 0.00 -2.02 0.00 0.00 63.50 60.33 3i7p n PRO 951 Cb 0.56 -1.25 -0.02 0.00 -0.02 0.00 0.00 33.50 32.77 3i7p n PRO 951 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 3i7p s ASN 952 N 1.11 6.30 -0.75 2.55 0.01 -1.26 -4.54 114.94 118.36 3i7p s ASN 952 Ca 0.13 0.85 -0.26 0.00 -0.71 0.00 0.00 52.86 52.87 3i7p s ASN 952 Cb 0.10 -2.54 -0.05 0.00 0.41 0.00 0.00 41.25 39.18 3i7p s ASN 952 CO 0.00 -1.45 1.98 0.26 -1.51 0.00 0.00 177.10 176.38 3i7p s TRP 953 N 5.53 1.65 0.73 2.20 0.52 -1.26 -1.38 118.94 126.93 3i7p s TRP 953 Ca 0.62 0.86 -0.15 0.00 0.02 0.00 0.00 56.10 57.46 3i7p s TRP 953 Cb -0.14 -3.98 0.04 0.00 -1.15 0.00 0.00 33.47 28.23 3i7p s TRP 953 CO 0.33 -2.00 1.18 -1.64 0.02 0.00 0.00 176.95 174.84 3i7p s MET 954 N 7.25 2.22 0.00 4.98 -1.94 -0.19 -0.63 119.30 130.99 3i7p s MET 954 Ca 0.72 1.66 0.00 0.00 -1.71 0.00 0.00 55.69 56.37 3i7p s MET 954 Cb -0.10 -1.85 0.00 0.00 2.01 0.00 0.00 34.83 34.89 3i7p s MET 954 CO 0.10 -1.75 0.00 -1.13 -0.01 0.00 0.00 175.02 172.23 3i7p n SER 955 N -2.75 2.32 -3.64 3.03 3.41 -1.05 -4.64 113.62 110.31 3i7p n SER 955 Ca 0.13 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.59 3i7p n SER 955 Cb 0.51 0.32 -0.08 0.00 -0.26 0.00 0.00 64.21 64.70 3i7p n SER 955 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i7p s ALA 956 N -1.27 -1.41 -0.02 7.33 0.00 -1.20 -4.73 121.76 120.46 3i7p s ALA 956 Ca 0.00 1.23 -0.04 0.00 0.00 0.00 0.00 51.96 53.15 3i7p s ALA 956 Cb 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 23.12 22.74 3i7p s ALA 956 CO 0.00 -0.30 0.09 0.08 0.00 0.00 0.00 175.76 175.62 3i7p s VAL 957 N -0.59 0.04 0.09 0.00 1.01 -1.26 -1.14 120.40 118.55 3i7p s VAL 957 Ca -0.07 -0.34 -0.19 0.00 0.00 0.00 0.00 61.98 61.38 3i7p s VAL 957 Cb -0.03 -0.24 0.05 0.00 0.00 0.00 0.00 36.38 36.15 3i7p s VAL 957 CO 0.05 -0.19 0.47 -0.70 0.00 0.00 0.00 175.10 174.73 3i7p s GLU 958 N -0.58 1.06 -0.24 2.72 2.56 -0.29 -4.70 118.70 119.23 3i7p s GLU 958 Ca -0.07 -0.47 -0.06 0.00 0.00 0.00 0.00 54.97 54.37 3i7p s GLU 958 Cb -0.04 0.48 -0.02 0.00 2.00 0.00 0.00 34.13 36.54 3i7p s GLU 958 CO 0.00 -0.41 0.03 0.42 -0.56 0.00 0.00 175.26 174.75 3i7p s ILE 959 N -3.17 4.03 -0.05 -3.70 1.01 -1.26 -0.87 121.20 117.19 3i7p s ILE 959 Ca -0.01 -0.27 -0.16 0.00 0.00 0.00 0.00 60.65 60.21 3i7p s ILE 959 Cb 0.00 -2.87 -0.31 0.00 0.01 0.00 0.00 42.46 39.29 3i7p s ILE 959 CO -0.07 0.37 0.75 -0.07 0.00 0.00 0.00 174.94 175.91 3i7p h LEU 960 N 8.11 0.57 -7.90 2.97 3.38 -1.37 -3.47 115.31 117.60 3i7p h LEU 960 Ca -0.39 -0.91 0.10 0.00 0.09 0.00 0.00 57.88 56.77 3i7p h LEU 960 Cb 1.17 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.70 3i7p h LEU 960 CO 0.59 1.65 0.41 1.51 0.09 0.00 0.00 178.44 182.69 3i7p s ASP 961 N -7.23 -0.09 0.60 -0.43 3.84 -1.10 -4.97 116.67 107.30 3i7p s ASP 961 Ca -0.15 -0.73 0.16 0.00 -0.00 0.00 0.00 52.55 51.83 3i7p s ASP 961 Cb 0.04 0.64 0.55 0.00 -1.38 0.00 0.00 42.92 42.77 3i7p s ASP 961 CO 0.84 -1.23 1.14 0.47 -0.00 0.00 0.00 175.17 176.39 3i7p n ASP 962 N -0.94 0.00 0.00 2.11 9.92 -1.26 -1.94 116.55 124.43 3i7p n ASP 962 Ca -0.05 0.64 0.00 0.00 -0.53 0.00 0.00 54.79 54.84 3i7p n ASP 962 Cb 0.60 -0.16 0.00 0.00 -0.64 0.00 0.00 41.12 40.92 3i7p n ASP 962 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 3i7p n ASP 963 N -2.88 4.05 -4.73 -2.24 8.00 -1.26 -5.02 116.55 112.46 3i7p n ASP 963 Ca 0.14 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.25 3i7p n ASP 963 Cb 1.28 0.08 -0.05 0.00 -0.02 0.00 0.00 41.12 42.42 3i7p n ASP 963 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 3i7p s ASN 964 N -3.79 7.02 -0.20 -2.24 0.01 -0.82 -4.04 114.94 110.88 3i7p s ASN 964 Ca 0.00 1.23 -0.00 0.00 -0.71 0.00 0.00 52.86 53.37 3i7p s ASN 964 Cb 0.00 -2.41 0.05 0.00 0.41 0.00 0.00 41.25 39.30 3i7p s ASN 964 CO 0.00 -0.05 -0.03 -0.36 -1.51 0.00 0.00 177.10 175.15 3i7p s PHE 965 N 0.43 1.89 0.47 2.20 2.99 0.46 -0.87 117.98 125.56 3i7p s PHE 965 Ca 0.36 -1.36 -0.21 0.00 0.00 0.00 0.00 56.93 55.73 3i7p s PHE 965 Cb -0.18 -1.38 -0.09 0.00 0.00 0.00 0.00 43.02 41.37 3i7p s PHE 965 CO 0.19 -0.69 1.03 -1.17 -0.00 0.00 0.00 175.22 174.58 3i7p s LEU 966 N 1.57 3.88 -0.22 -0.37 0.20 -0.05 -0.70 118.68 122.99 3i7p s LEU 966 Ca -0.03 1.92 -0.27 0.00 0.69 0.00 0.00 54.13 56.45 3i7p s LEU 966 Cb -0.17 -4.52 0.10 0.00 -0.43 0.00 0.00 46.19 41.16 3i7p s LEU 966 CO -0.07 -0.73 0.88 -0.83 -0.29 0.00 0.00 176.35 175.32 3i7p s GLY 967 N -1.95 -0.35 0.04 7.98 0.00 -0.73 -1.14 107.32 111.17 3i7p s GLY 967 Ca 0.66 2.17 0.02 0.00 0.00 0.00 0.00 44.72 47.57 3i7p s GLY 967 CO 0.20 1.54 -0.07 0.00 0.00 0.00 0.00 173.10 174.76 3i7p s ALA 968 N -0.17 0.57 0.07 3.20 0.00 -0.29 -0.73 121.76 124.40 3i7p s ALA 968 Ca -0.01 -0.78 -0.15 0.00 0.00 0.00 0.00 51.96 51.02 3i7p s ALA 968 Cb -0.03 0.06 0.02 0.00 0.00 0.00 0.00 23.12 23.17 3i7p s ALA 968 CO -0.00 -0.04 0.34 -1.83 0.00 0.00 0.00 175.76 174.23 3i7p s GLU 969 N -1.68 0.90 0.00 0.00 1.03 -0.80 -2.52 118.70 115.63 3i7p s GLU 969 Ca -0.09 -0.56 0.00 0.00 0.03 0.00 0.00 54.97 54.35 3i7p s GLU 969 Cb -0.09 0.39 0.00 0.00 -0.80 0.00 0.00 34.13 33.63 3i7p s GLU 969 CO 0.00 -0.31 0.00 -1.71 -1.33 0.00 0.00 175.26 171.91 3i7p n ASN 970 N 0.32 0.00 -0.90 0.83 5.15 0.20 -0.58 115.26 120.27 3i7p n ASN 970 Ca -0.18 0.00 0.04 0.00 -0.60 0.00 0.00 54.58 53.84 3i7p n ASN 970 Cb 0.61 0.00 0.05 0.00 -0.53 0.00 0.00 39.78 39.91 3i7p n ASN 970 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3i7p n ALA 971 N 0.00 2.42 -2.84 5.20 0.00 -1.26 -4.98 120.51 119.04 3i7p n ALA 971 Ca 0.00 -2.08 -0.18 0.00 0.00 0.00 0.00 53.44 51.18 3i7p n ALA 971 Cb 0.00 -0.57 0.03 0.00 0.00 0.00 0.00 19.45 18.91 3i7p n ALA 971 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3i7p n PHE 972 N -0.09 -1.56 -4.26 0.00 3.01 0.25 -4.88 117.46 109.93 3i7p n PHE 972 Ca 0.07 0.40 -0.28 0.00 1.01 0.00 0.00 57.45 58.64 3i7p n PHE 972 Cb 0.89 -3.85 -0.10 0.00 -0.01 0.00 0.00 39.48 36.41 3i7p n PHE 972 CO 0.00 0.00 0.00 -0.80 1.01 0.00 0.00 176.76 176.97 3i7p s ASN 973 N -2.72 4.27 0.10 4.37 0.01 -1.24 -1.38 114.94 118.35 3i7p s ASN 973 Ca 0.23 -0.49 0.06 0.00 -0.71 0.00 0.00 52.86 51.95 3i7p s ASN 973 Cb -0.10 -0.75 -0.04 0.00 0.41 0.00 0.00 41.25 40.77 3i7p s ASN 973 CO 0.29 0.14 -0.06 -0.76 -1.51 0.00 0.00 177.10 175.20 3i7p s LEU 974 N -2.48 3.20 -0.01 0.60 1.43 0.10 -1.90 118.68 119.62 3i7p s LEU 974 Ca 0.22 -0.30 -0.18 0.00 -1.03 0.00 0.00 54.13 52.84 3i7p s LEU 974 Cb -0.10 -1.97 0.03 0.00 0.03 0.00 0.00 46.19 44.19 3i7p s LEU 974 CO 0.14 0.18 0.38 0.72 0.23 0.00 0.00 176.35 178.00 3i7p s PHE 975 N -1.24 -0.27 0.04 0.29 -0.12 0.09 -1.95 117.98 114.82 3i7p s PHE 975 Ca 0.23 0.40 0.08 0.00 -0.05 0.00 0.00 56.93 57.59 3i7p s PHE 975 Cb -0.11 0.16 -0.03 0.00 -0.63 0.00 0.00 43.02 42.41 3i7p s PHE 975 CO 0.15 -0.45 -0.24 0.08 -0.05 0.00 0.00 175.22 174.72 3i7p s VAL 976 N -1.43 1.93 -0.00 -2.49 1.01 -0.18 -1.78 120.40 117.46 3i7p s VAL 976 Ca -0.12 -1.27 0.06 0.00 0.00 0.00 0.00 61.98 60.64 3i7p s VAL 976 Cb -0.04 -1.65 -0.02 0.00 0.00 0.00 0.00 36.38 34.67 3i7p s VAL 976 CO 0.05 0.33 -0.18 0.00 0.00 0.00 0.00 175.10 175.29 3i7p s GLN 978 N -0.58 1.32 0.18 0.00 -2.07 -1.16 -0.41 119.66 116.94 3i7p s GLN 978 Ca 0.06 -1.62 -0.30 0.00 -1.82 0.00 0.00 55.36 51.68 3i7p s GLN 978 Cb -0.07 -0.88 -0.07 0.00 -1.09 0.00 0.00 33.01 30.90 3i7p s GLN 978 CO -0.00 0.05 1.06 -1.59 -1.32 0.00 0.00 175.29 173.49 3i7p s LYS 979 N -3.75 4.64 -0.65 9.60 0.00 -1.26 -1.53 119.74 126.79 3i7p s LYS 979 Ca 0.24 1.66 -0.26 0.00 0.00 0.00 0.00 55.97 57.61 3i7p s LYS 979 Cb 0.03 -3.29 -0.04 0.00 0.00 0.00 0.00 37.83 34.53 3i7p s LYS 979 CO 0.07 0.14 1.99 0.34 0.00 0.00 0.00 175.35 177.89 3i7p s ASP 980 N -0.22 5.05 -0.62 0.03 2.15 -1.24 -4.90 116.67 116.92 3i7p s ASP 980 Ca 0.48 0.28 -0.26 0.00 0.43 0.00 0.00 52.55 53.48 3i7p s ASP 980 Cb -0.28 -2.53 -0.07 0.00 -0.30 0.00 0.00 42.92 39.73 3i7p s ASP 980 CO 0.34 -2.59 2.26 -0.44 -0.17 0.00 0.00 175.17 174.57 3i7p s SER 981 N 8.90 4.52 0.06 -0.34 0.01 -1.26 -4.61 113.70 120.98 3i7p s SER 981 Ca 0.74 0.53 -0.14 0.00 1.31 0.00 0.00 55.95 58.38 3i7p s SER 981 Cb -0.12 -2.52 0.02 0.00 0.21 0.00 0.00 66.02 63.61 3i7p s SER 981 CO 0.17 -3.02 0.32 0.00 0.41 0.00 0.00 173.24 171.13 3i7p s ALA 982 N 12.05 -0.72 1.11 1.44 0.00 -1.26 -5.17 121.76 129.22 3i7p s ALA 982 Ca 0.88 -0.01 -0.14 0.00 0.00 0.00 0.00 51.96 52.68 3i7p s ALA 982 Cb -0.14 0.38 0.25 0.00 0.00 0.00 0.00 23.12 23.61 3i7p s ALA 982 CO 0.18 -0.45 1.06 0.00 0.00 0.00 0.00 175.76 176.55 3i7p s ALA 983 N -2.80 0.31 -0.93 0.00 0.00 -1.26 -4.29 121.76 112.78 3i7p s ALA 983 Ca -0.03 -0.43 -0.05 0.00 0.00 0.00 0.00 51.96 51.44 3i7p s ALA 983 Cb -0.00 -3.10 0.01 0.00 0.00 0.00 0.00 23.12 20.02 3i7p s ALA 983 CO -0.05 -3.40 0.73 0.25 0.00 0.00 0.00 175.76 173.29 3i7p n THR 984 N -4.60 -1.89 -0.76 0.00 -2.24 -1.26 -4.73 114.28 98.81 3i7p n THR 984 Ca 0.06 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.50 3i7p n THR 984 Cb 0.57 -3.08 -0.06 0.00 -2.10 0.00 0.00 70.33 65.66 3i7p n THR 984 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3i7p n THR 985 N -4.17 1.28 -1.49 4.28 -2.24 -1.26 -2.92 114.28 107.76 3i7p n THR 985 Ca -0.01 -0.98 0.00 0.00 -2.27 0.00 0.00 64.05 60.79 3i7p n THR 985 Cb 0.55 -2.10 0.00 0.00 -2.10 0.00 0.00 70.33 66.68 3i7p n THR 985 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3i7p n ASP 986 N 6.83 0.00 0.09 3.42 9.92 -1.26 -4.80 116.55 130.75 3i7p n ASP 986 Ca 0.41 -0.72 0.00 0.00 -0.53 0.00 0.00 54.79 53.95 3i7p n ASP 986 Cb 0.30 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.78 3i7p n ASP 986 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 3i7p n GLU 987 N 0.00 0.00 0.00 -1.24 4.07 -1.15 -4.56 120.64 117.76 3i7p n GLU 987 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 3i7p n GLU 987 Cb 0.18 -0.22 0.00 0.00 -0.06 0.00 0.00 31.44 31.34 3i7p n GLU 987 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 3i7p n GLU 988 N -3.40 0.27 0.00 5.31 1.02 -1.26 -1.34 120.64 121.25 3i7p n GLU 988 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3i7p n GLU 988 Cb 0.03 -1.02 0.00 0.00 -0.02 0.00 0.00 31.44 30.43 3i7p n GLU 988 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 3i7p n ARG 989 N -0.37 3.57 0.00 3.49 3.00 -1.26 -4.35 116.66 120.74 3i7p n ARG 989 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 57.85 57.96 3i7p n ARG 989 Cb 0.01 -0.98 0.67 0.00 0.00 0.00 0.00 32.46 32.16 3i7p n ARG 989 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 3i7p n GLN 990 N -1.97 0.82 -4.80 -0.14 -0.06 -0.45 -4.54 117.38 106.25 3i7p n GLN 990 Ca 0.00 0.00 -0.25 0.00 -2.00 0.00 0.00 57.00 54.75 3i7p n GLN 990 Cb 0.48 -1.43 -0.16 0.00 -4.06 0.00 0.00 30.24 25.07 3i7p n GLN 990 CO 0.00 0.00 0.00 -1.01 -0.20 0.00 0.00 177.06 175.85 3i7p s HIS 991 N -2.00 1.58 -0.06 3.69 3.76 -1.11 -2.16 115.29 118.99 3i7p s HIS 991 Ca 0.34 -0.38 0.03 0.00 -0.15 0.00 0.00 55.06 54.90 3i7p s HIS 991 Cb 0.15 -1.05 0.01 0.00 1.11 0.00 0.00 32.58 32.80 3i7p s HIS 991 CO 0.26 -0.10 -0.15 -0.48 -0.85 0.00 0.00 174.74 173.42 3i7p s LEU 992 N -0.15 1.79 0.24 0.89 0.05 -0.47 -3.61 118.68 117.41 3i7p s LEU 992 Ca 0.01 -0.34 -0.06 0.00 0.05 0.00 0.00 54.13 53.79 3i7p s LEU 992 Cb -0.09 -0.92 -0.06 0.00 -2.05 0.00 0.00 46.19 43.07 3i7p s LEU 992 CO 0.01 0.09 0.51 -1.10 -0.55 0.00 0.00 176.35 175.31 3i7p s GLN 993 N 0.38 3.68 -1.23 1.48 1.11 -0.58 -4.45 119.66 120.05 3i7p s GLN 993 Ca -0.11 0.06 -0.19 0.00 0.01 0.00 0.00 55.36 55.13 3i7p s GLN 993 Cb -0.14 -2.69 0.06 0.00 -1.01 0.00 0.00 33.01 29.23 3i7p s GLN 993 CO 0.04 0.31 1.68 -1.21 0.01 0.00 0.00 175.29 176.11 3i7p s GLU 994 N -3.11 3.86 0.12 2.91 2.02 -1.26 -3.00 118.70 120.23 3i7p s GLU 994 Ca 0.44 -1.77 0.27 0.00 0.02 0.00 0.00 54.97 53.93 3i7p s GLU 994 Cb -0.11 -5.49 0.89 0.00 0.10 0.00 0.00 34.13 29.52 3i7p s GLU 994 CO 0.26 -2.29 1.76 1.33 0.02 0.00 0.00 175.26 176.34 3i7p n VAL 995 N 6.55 0.34 -4.10 2.63 0.24 -0.56 -4.76 118.33 118.67 3i7p n VAL 995 Ca 0.45 -0.17 -0.20 0.00 -2.04 0.00 0.00 64.34 62.38 3i7p n VAL 995 Cb 0.47 -0.46 -0.16 0.00 -1.47 0.00 0.00 33.84 32.22 3i7p n VAL 995 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3i7p s GLY 996 N -3.36 0.42 0.01 7.63 0.00 -1.14 -4.31 107.32 106.59 3i7p s GLY 996 Ca 0.11 -0.03 0.01 0.00 0.00 0.00 0.00 44.72 44.81 3i7p s GLY 996 CO 0.59 0.51 -0.05 1.08 0.00 0.00 0.00 173.10 175.23 3i7p s LEU 997 N 1.00 2.12 -0.29 0.66 1.43 0.11 -1.01 118.68 122.70 3i7p s LEU 997 Ca -0.10 -0.28 -0.18 0.00 -1.03 0.00 0.00 54.13 52.54 3i7p s LEU 997 Cb -0.14 -0.14 0.17 0.00 0.03 0.00 0.00 46.19 46.11 3i7p s LEU 997 CO -0.01 -0.08 1.14 0.12 0.23 0.00 0.00 176.35 177.76 3i7p s PHE 998 N -0.68 -0.31 -0.48 0.29 5.36 -0.82 -1.94 117.98 119.39 3i7p s PHE 998 Ca -0.05 0.64 -0.18 0.00 -0.96 0.00 0.00 56.93 56.38 3i7p s PHE 998 Cb -0.05 0.24 0.05 0.00 -0.34 0.00 0.00 43.02 42.92 3i7p s PHE 998 CO -0.00 -0.15 0.56 -1.58 -1.46 0.00 0.00 175.22 172.59 3i7p s HIS 999 N 0.97 3.10 -0.04 10.12 5.65 -0.92 0.03 115.29 134.19 3i7p s HIS 999 Ca -0.06 -0.51 -0.20 0.00 0.25 0.00 0.00 55.06 54.54 3i7p s HIS 999 Cb -0.03 -3.36 -0.14 0.00 -1.18 0.00 0.00 32.58 27.87 3i7p s HIS 999 CO -0.12 -0.93 0.85 1.25 -0.65 0.00 0.00 174.74 175.14 3i7p h LEU 1000N 9.47 -0.25 0.00 8.88 6.46 -1.55 -3.43 115.31 134.89 3i7p h LEU 1000Ca -0.27 -0.26 0.00 0.00 -0.12 0.00 0.00 57.88 57.23 3i7p h LEU 1000Cb 1.10 0.07 0.00 0.00 -0.73 0.00 0.00 40.66 41.09 3i7p h LEU 1000CO 0.92 0.26 0.00 0.61 -0.62 0.00 0.00 178.44 179.61 3i7p n GLY 1001N 0.49 0.98 3.25 3.75 0.00 -0.88 -5.07 105.19 107.72 3i7p n GLY 1001Ca -0.08 -0.03 -0.16 0.00 0.00 0.00 0.00 46.02 45.75 3i7p n GLY 1001CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i7p s GLU 1002N -0.15 1.07 -0.27 1.61 0.41 -1.26 -4.97 118.70 115.14 3i7p s GLU 1002Ca 0.00 -1.36 -0.16 0.00 -0.41 0.00 0.00 54.97 53.04 3i7p s GLU 1002Cb 0.00 -0.80 -0.03 0.00 -1.78 0.00 0.00 34.13 31.51 3i7p s GLU 1002CO 0.00 0.13 0.43 0.12 -0.49 0.00 0.00 175.26 175.45 3i7p s PHE 1003N -2.72 3.25 -0.28 1.61 5.36 -1.26 -4.20 117.98 119.74 3i7p s PHE 1003Ca 0.13 0.47 -0.14 0.00 -0.96 0.00 0.00 56.93 56.44 3i7p s PHE 1003Cb -0.01 -2.64 -0.04 0.00 -0.34 0.00 0.00 43.02 39.99 3i7p s PHE 1003CO 0.02 -0.26 0.34 0.08 -1.46 0.00 0.00 175.22 173.94 3i7p s VAL 1004N 2.16 5.20 0.01 3.12 1.01 -1.26 -2.13 120.40 128.50 3i7p s VAL 1004Ca 0.17 0.43 -0.03 0.00 0.00 0.00 0.00 61.98 62.56 3i7p s VAL 1004Cb -0.16 -3.68 -0.28 0.00 0.00 0.00 0.00 36.38 32.27 3i7p s VAL 1004CO 0.10 0.15 0.87 0.78 0.00 0.00 0.00 175.10 176.99 3i7p h ASN 1005N 8.25 0.39 -3.55 3.32 2.35 -1.20 -3.35 115.58 121.78 3i7p h ASN 1005Ca -0.32 -0.53 -0.19 0.00 -0.55 0.00 0.00 56.30 54.71 3i7p h ASN 1005Cb 1.17 -0.13 -0.28 0.00 0.05 0.00 0.00 38.32 39.12 3i7p h ASN 1005CO 0.63 1.44 -0.50 0.54 -1.65 0.00 0.00 177.43 177.90 3i7p s VAL 1006N -2.62 -0.03 0.19 2.81 0.11 -1.12 -4.72 120.40 115.03 3i7p s VAL 1006Ca -0.09 0.09 0.04 0.00 -2.93 0.00 0.00 61.98 59.10 3i7p s VAL 1006Cb 0.07 -0.33 -0.03 0.00 -1.53 0.00 0.00 36.38 34.56 3i7p s VAL 1006CO 0.85 0.04 0.25 -0.36 -3.33 0.00 0.00 175.10 172.55 3i7p s PHE 1007N 0.78 3.33 0.13 1.54 0.40 -1.26 -1.59 117.98 121.32 3i7p s PHE 1007Ca -0.06 0.01 -0.24 0.00 -0.60 0.00 0.00 56.93 56.05 3i7p s PHE 1007Cb -0.07 -1.56 0.07 0.00 0.51 0.00 0.00 43.02 41.97 3i7p s PHE 1007CO -0.05 0.50 0.63 0.00 0.70 0.00 0.00 175.22 177.01 3i7p s HIS 1009N -3.58 3.56 0.00 0.00 3.76 -1.26 0.27 115.29 118.05 3i7p s HIS 1009Ca 0.01 1.74 0.00 0.00 -0.15 0.00 0.00 55.06 56.66 3i7p s HIS 1009Cb -0.01 -3.03 0.00 0.00 1.11 0.00 0.00 32.58 30.65 3i7p s HIS 1009CO -0.12 -0.12 0.00 0.41 -0.85 0.00 0.00 174.74 174.06 3i7p n GLY 1010N 0.61 1.78 3.54 -2.22 0.00 -1.06 -4.76 105.19 103.09 3i7p n GLY 1010Ca 0.02 -1.21 -0.16 0.00 0.00 0.00 0.00 46.02 44.67 3i7p n GLY 1010CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i7p s SER 1011N 0.00 -0.61 -0.11 1.61 0.15 -1.26 -4.33 113.70 109.15 3i7p s SER 1011Ca 0.00 0.70 0.19 0.00 0.70 0.00 0.00 55.95 57.54 3i7p s SER 1011Cb 0.00 0.55 0.74 0.00 -1.71 0.00 0.00 66.02 65.59 3i7p s SER 1011CO 0.00 -0.53 1.65 0.18 1.20 0.00 0.00 173.24 175.73 3i7p n LEU 1012N 0.98 4.83 0.00 3.45 4.77 -1.26 -2.86 117.00 126.91 3i7p n LEU 1012Ca -0.17 -2.44 -0.15 0.00 -0.03 0.00 0.00 56.01 53.23 3i7p n LEU 1012Cb 0.57 -0.59 -0.04 0.00 -2.33 0.00 0.00 43.42 41.03 3i7p n LEU 1012CO 0.21 0.83 -0.10 1.33 -1.33 0.00 0.00 177.39 178.33 3i7p n VAL 1013N 1.19 0.00 -0.58 4.08 0.24 -1.26 -4.44 118.33 117.56 3i7p n VAL 1013Ca 0.26 -1.32 0.08 0.00 -2.04 0.00 0.00 64.34 61.32 3i7p n VAL 1013Cb 0.90 0.45 -0.02 0.00 -1.47 0.00 0.00 33.84 33.69 3i7p n VAL 1013CO 0.00 0.00 0.00 1.15 -2.14 0.00 0.00 176.83 175.84 3i7p n MET 1014N -0.53 -1.19 -0.14 7.34 0.00 -1.26 -4.41 117.12 116.93 3i7p n MET 1014Ca -0.04 0.81 0.17 0.00 0.00 0.00 0.00 57.70 58.64 3i7p n MET 1014Cb 0.34 -1.44 0.26 0.00 0.00 0.00 0.00 33.22 32.38 3i7p n MET 1014CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 175.97 177.01 3i7p n GLN 1015N -2.55 0.01 0.00 3.17 1.13 -1.26 -3.66 117.38 114.22 3i7p n GLN 1015Ca -0.00 0.58 0.00 0.00 -1.94 0.00 0.00 57.00 55.64 3i7p n GLN 1015Cb 0.27 -1.45 0.00 0.00 0.11 0.00 0.00 30.24 29.17 3i7p n GLN 1015CO 0.00 0.00 0.00 -2.30 -1.44 0.00 0.00 177.06 173.32 3i7p n PRO 1023N -2.43 0.00 -3.98 -1.09 -0.02 -1.26 -3.58 135.00 122.63 3i7p n PRO 1023Ca 0.14 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.52 3i7p n PRO 1023Cb 0.89 0.00 -0.07 0.00 -0.02 0.00 0.00 33.50 34.30 3i7p n PRO 1023CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3i7p s THR 1024N -0.38 0.04 0.07 3.45 -4.23 -1.26 -4.66 115.64 108.66 3i7p s THR 1024Ca 0.00 -1.42 0.05 0.00 -1.18 0.00 0.00 61.69 59.14 3i7p s THR 1024Cb 0.00 -1.98 -0.03 0.00 1.34 0.00 0.00 72.50 71.83 3i7p s THR 1024CO 0.00 -0.19 -0.15 -1.58 -0.54 0.00 0.00 174.62 172.16 3i7p s GLN 1025N -3.99 0.88 0.90 3.99 0.74 -1.20 -4.99 119.66 115.99 3i7p s GLN 1025Ca 0.20 -0.93 0.00 0.00 0.05 0.00 0.00 55.36 54.68 3i7p s GLN 1025Cb 0.02 -0.92 0.00 0.00 1.10 0.00 0.00 33.01 33.21 3i7p s GLN 1025CO 0.03 0.21 0.00 0.41 -0.55 0.00 0.00 175.29 175.39 3i7p n GLY 1026N 1.42 -1.59 3.19 2.59 0.00 -1.26 -1.82 105.19 107.72 3i7p n GLY 1026Ca -0.20 -1.12 0.05 0.00 0.00 0.00 0.00 46.02 44.74 3i7p n GLY 1026CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i7p s SER 1027N -5.82 -0.45 -0.14 1.61 0.15 -1.26 -4.73 113.70 103.06 3i7p s SER 1027Ca 0.00 0.36 0.02 0.00 0.70 0.00 0.00 55.95 57.03 3i7p s SER 1027Cb 0.00 1.41 0.01 0.00 -1.71 0.00 0.00 66.02 65.73 3i7p s SER 1027CO 0.00 -0.08 -0.21 -0.69 1.20 0.00 0.00 173.24 173.45 3i7p s VAL 1028N 2.79 2.01 0.12 4.45 1.01 -0.79 -2.55 120.40 127.44 3i7p s VAL 1028Ca -0.01 -0.94 0.04 0.00 0.00 0.00 0.00 61.98 61.07 3i7p s VAL 1028Cb -0.09 -1.79 -0.04 0.00 0.00 0.00 0.00 36.38 34.47 3i7p s VAL 1028CO -0.13 0.54 0.11 -0.76 0.00 0.00 0.00 175.10 174.87 3i7p s LEU 1029N 0.90 3.83 0.11 3.92 1.43 0.14 0.39 118.68 129.39 3i7p s LEU 1029Ca -0.05 -0.06 0.03 0.00 -1.03 0.00 0.00 54.13 53.02 3i7p s LEU 1029Cb -0.15 -2.47 -0.04 0.00 0.03 0.00 0.00 46.19 43.56 3i7p s LEU 1029CO -0.03 0.12 -0.09 0.72 0.23 0.00 0.00 176.35 177.30 3i7p s PHE 1030N -1.57 1.05 0.01 0.29 -0.12 -1.17 0.66 117.98 117.13 3i7p s PHE 1030Ca 0.30 -0.77 0.03 0.00 -0.05 0.00 0.00 56.93 56.44 3i7p s PHE 1030Cb -0.11 -0.57 -0.01 0.00 -0.63 0.00 0.00 43.02 41.70 3i7p s PHE 1030CO 0.23 -0.03 -0.08 0.20 -0.05 0.00 0.00 175.22 175.49 3i7p s GLY 1031N -2.85 0.44 0.33 1.99 0.00 -0.62 -2.58 107.32 104.02 3i7p s GLY 1031Ca 0.11 -0.45 0.10 0.00 0.00 0.00 0.00 44.72 44.47 3i7p s GLY 1031CO -0.01 -0.42 -0.11 -0.51 0.00 0.00 0.00 173.10 172.05 3i7p s THR 1032N -0.45 2.22 0.16 0.90 -4.23 -0.97 -0.80 115.64 112.47 3i7p s THR 1032Ca 0.01 -2.23 0.24 0.00 -1.18 0.00 0.00 61.69 58.52 3i7p s THR 1032Cb -0.05 -2.56 0.24 0.00 1.34 0.00 0.00 72.50 71.47 3i7p s THR 1032CO 0.00 -0.25 1.71 0.58 -0.54 0.00 0.00 174.62 176.12 3i7p h VAL 1033N 2.09 0.00 0.00 2.29 2.07 -1.63 -2.33 116.25 118.75 3i7p h VAL 1033Ca -0.41 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.11 3i7p h VAL 1033Cb 1.25 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 31.56 3i7p h VAL 1033CO 0.68 0.00 -0.68 0.59 0.02 0.00 0.00 177.57 178.18 3i7p n ASN 1034N -2.44 0.72 0.00 0.57 3.02 -1.24 -3.38 115.26 112.50 3i7p n ASN 1034Ca -0.02 -0.73 0.00 0.00 -0.03 0.00 0.00 54.58 53.80 3i7p n ASN 1034Cb 0.19 1.05 0.00 0.00 -0.61 0.00 0.00 39.78 40.41 3i7p n ASN 1034CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i7p n GLY 1035N 1.34 0.96 3.73 7.41 0.00 -0.64 0.14 105.19 118.14 3i7p n GLY 1035Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 3i7p n GLY 1035CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3i7p s MET 1036N -0.98 4.57 -0.26 1.61 0.00 -1.26 -4.19 119.30 118.79 3i7p s MET 1036Ca 0.00 1.68 -0.03 0.00 0.00 0.00 0.00 55.69 57.34 3i7p s MET 1036Cb 0.00 -3.31 0.02 0.00 0.00 0.00 0.00 34.83 31.53 3i7p s MET 1036CO 0.00 0.01 -0.02 0.42 0.00 0.00 0.00 175.02 175.44 3i7p s ILE 1037N 0.13 3.24 0.00 10.11 1.01 -0.78 -2.30 121.20 132.60 3i7p s ILE 1037Ca 0.51 -0.88 0.00 0.00 0.00 0.00 0.00 60.65 60.28 3i7p s ILE 1037Cb -0.28 -2.64 0.00 0.00 0.01 0.00 0.00 42.46 39.55 3i7p s ILE 1037CO 0.33 0.18 0.00 0.61 0.00 0.00 0.00 174.94 176.06 3i7p n GLY 1038N 4.74 2.34 3.40 6.18 0.00 -1.06 0.61 105.19 121.39 3i7p n GLY 1038Ca -0.16 -2.12 -0.10 0.00 0.00 0.00 0.00 46.02 43.64 3i7p n GLY 1038CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3i7p s LEU 1039N 0.00 -0.28 -0.12 0.99 2.96 -0.24 -3.06 118.68 118.92 3i7p s LEU 1039Ca 0.00 1.08 0.00 0.00 -0.22 0.00 0.00 54.13 55.00 3i7p s LEU 1039Cb 0.00 1.71 -0.01 0.00 0.50 0.00 0.00 46.19 48.38 3i7p s LEU 1039CO 0.00 -0.20 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.00 3i7p s VAL 1040N 1.20 2.95 0.22 1.68 1.01 0.16 -2.08 120.40 125.55 3i7p s VAL 1040Ca -0.07 -0.70 0.10 0.00 0.00 0.00 0.00 61.98 61.31 3i7p s VAL 1040Cb -0.06 -2.23 -0.05 0.00 0.00 0.00 0.00 36.38 34.04 3i7p s VAL 1040CO -0.12 0.53 -0.20 -0.89 0.00 0.00 0.00 175.10 174.43 3i7p s THR 1041N 0.31 2.18 0.68 3.92 2.01 -0.71 -1.88 115.64 122.16 3i7p s THR 1041Ca -0.11 -2.18 -0.05 0.00 0.31 0.00 0.00 61.69 59.66 3i7p s THR 1041Cb -0.16 -2.12 0.07 0.00 0.01 0.00 0.00 72.50 70.30 3i7p s THR 1041CO 0.06 -0.35 0.97 -0.44 -0.69 0.00 0.00 174.62 174.17 3i7p s SER 1042N -3.09 4.82 0.14 3.53 0.01 -0.76 -0.63 113.70 117.71 3i7p s SER 1042Ca 0.23 0.28 -0.05 0.00 1.31 0.00 0.00 55.95 57.72 3i7p s SER 1042Cb -0.05 -0.94 -0.02 0.00 0.21 0.00 0.00 66.02 65.22 3i7p s SER 1042CO 0.11 -1.56 0.16 -0.76 0.41 0.00 0.00 173.24 171.60 3i7p s LEU 1043N -5.15 1.44 0.28 2.44 1.43 0.43 -3.27 118.68 116.27 3i7p s LEU 1043Ca 0.60 -1.00 -0.28 0.00 -1.03 0.00 0.00 54.13 52.42 3i7p s LEU 1043Cb -0.10 0.74 -0.09 0.00 0.03 0.00 0.00 46.19 46.77 3i7p s LEU 1043CO 0.44 -0.79 0.98 -0.94 0.23 0.00 0.00 176.35 176.26 3i7p s SER 1044N -2.99 7.42 0.33 2.29 1.04 -1.26 -4.80 113.70 115.73 3i7p s SER 1044Ca 0.18 1.99 0.13 0.00 0.48 0.00 0.00 55.95 58.73 3i7p s SER 1044Cb 0.05 -2.60 1.03 0.00 0.10 0.00 0.00 66.02 64.60 3i7p s SER 1044CO -0.01 -0.02 1.66 1.05 0.98 0.00 0.00 173.24 176.91 3i7p h GLU 1045N 3.69 0.31 -0.06 4.02 9.09 -1.98 1.06 114.58 130.71 3i7p h GLU 1045Ca -0.46 -0.02 -0.01 0.00 0.05 0.00 0.00 59.36 58.92 3i7p h GLU 1045Cb 1.20 -0.07 -0.00 0.00 -1.65 0.00 0.00 28.75 28.23 3i7p h GLU 1045CO 0.66 0.21 -0.01 0.66 0.05 0.00 0.00 179.01 180.58 3i7p h SER 1046N 0.32 0.11 -0.75 3.06 4.64 -1.99 0.00 113.55 118.95 3i7p h SER 1046Ca 0.71 -0.36 0.01 0.00 -0.47 0.00 0.00 61.79 61.68 3i7p h SER 1046Cb 1.57 -0.03 -0.04 0.00 -0.31 0.00 0.00 62.40 63.59 3i7p h SER 1046CO -0.61 0.44 0.49 -0.50 -0.87 0.00 0.00 176.83 175.79 3i7p h TRP 1047N -0.22 0.93 -0.01 4.77 4.06 -1.43 0.66 115.95 124.71 3i7p h TRP 1047Ca 0.02 0.02 0.02 0.00 2.06 0.00 0.00 58.89 61.01 3i7p h TRP 1047Cb 0.39 -0.31 -0.05 0.00 -1.00 0.00 0.00 29.16 28.19 3i7p h TRP 1047CO 0.05 0.58 -0.46 -0.92 -3.56 0.00 0.00 178.44 174.13 3i7p h TYR 1048N 1.00 -1.35 0.14 0.49 3.20 0.12 -2.41 116.97 118.16 3i7p h TYR 1048Ca 0.28 0.04 0.01 0.00 3.14 0.00 0.00 58.73 62.21 3i7p h TYR 1048Cb -0.09 0.59 -0.05 0.00 1.54 0.00 0.00 36.73 38.73 3i7p h TYR 1048CO -0.02 -0.49 -0.49 -0.91 -1.64 0.00 0.00 178.16 174.61 3i7p h ASN 1049N -0.57 -1.44 -0.82 -2.11 2.35 -0.36 0.14 115.58 112.76 3i7p h ASN 1049Ca 0.01 0.15 0.11 0.00 -0.55 0.00 0.00 56.30 56.03 3i7p h ASN 1049Cb 0.61 0.53 -0.13 0.00 0.05 0.00 0.00 38.32 39.39 3i7p h ASN 1049CO -0.31 -0.54 -0.45 0.25 -1.65 0.00 0.00 177.43 174.73 3i7p h LEU 1050N -0.73 -1.60 -1.31 1.61 6.46 -0.91 -0.35 115.31 118.47 3i7p h LEU 1050Ca 0.00 0.29 -0.02 0.00 -0.12 0.00 0.00 57.88 58.03 3i7p h LEU 1050Cb 0.74 0.76 -0.02 0.00 -0.73 0.00 0.00 40.66 41.41 3i7p h LEU 1050CO -0.26 -0.29 0.22 -0.07 -0.62 0.00 0.00 178.44 177.42 3i7p h LEU 1051N -0.09 0.63 -0.38 2.25 3.38 -0.73 0.15 115.31 120.52 3i7p h LEU 1051Ca 0.24 -0.06 -0.14 0.00 0.09 0.00 0.00 57.88 58.01 3i7p h LEU 1051Cb 0.54 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 3i7p h LEU 1051CO -0.85 0.55 -0.31 0.25 0.09 0.00 0.00 178.44 178.17 3i7p h LEU 1052N 0.70 0.93 0.82 1.67 6.46 0.78 0.79 115.31 127.46 3i7p h LEU 1052Ca 0.17 -0.45 -0.04 0.00 -0.12 0.00 0.00 57.88 57.45 3i7p h LEU 1052Cb 0.10 -0.26 0.01 0.00 -0.73 0.00 0.00 40.66 39.77 3i7p h LEU 1052CO -0.02 1.18 -0.39 -0.78 -0.62 0.00 0.00 178.44 177.81 3i7p h ASP 1053N 0.69 -0.93 -1.52 1.25 3.58 -0.79 -2.33 116.42 116.37 3i7p h ASP 1053Ca 0.07 0.03 0.44 0.00 0.42 0.00 0.00 57.03 57.99 3i7p h ASP 1053Cb 0.89 0.24 -0.07 0.00 1.72 0.00 0.00 39.33 42.11 3i7p h ASP 1053CO 0.08 -0.62 1.08 -0.03 -2.88 0.00 0.00 179.24 176.87 3i7p h MET 1054N -1.19 0.02 0.10 0.28 4.05 -0.54 0.64 114.93 118.30 3i7p h MET 1054Ca -0.11 -0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.30 3i7p h MET 1054Cb 0.84 -0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.64 3i7p h MET 1054CO 0.18 0.01 -0.05 1.96 0.23 0.00 0.00 176.91 179.25 3i7p h GLN 1055N 0.02 -0.13 -0.33 0.39 4.20 -0.62 -0.07 115.11 118.56 3i7p h GLN 1055Ca 0.74 0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.46 3i7p h GLN 1055Cb 2.89 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 30.68 3i7p h GLN 1055CO -0.05 0.34 0.21 -0.91 -0.67 0.00 0.00 178.83 177.76 3i7p h ASN 1056N -0.71 0.38 -0.06 1.46 -0.26 0.77 -0.97 115.58 116.19 3i7p h ASN 1056Ca -0.01 -0.02 0.02 0.00 -0.56 0.00 0.00 56.30 55.72 3i7p h ASN 1056Cb 0.54 -0.10 -0.02 0.00 -1.06 0.00 0.00 38.32 37.68 3i7p h ASN 1056CO 0.02 0.29 -0.05 0.03 -1.06 0.00 0.00 177.43 176.66 3i7p h ARG 1057N 0.44 -0.06 -0.08 0.81 3.08 -1.18 -2.49 114.38 114.89 3i7p h ARG 1057Ca 0.12 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.20 3i7p h ARG 1057Cb -0.03 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.03 3i7p h ARG 1057CO -0.02 -0.04 0.15 -0.07 -1.07 0.00 0.00 179.97 178.91 3i7p h LEU 1058N -0.06 0.00 0.17 3.04 3.38 -0.25 -3.02 115.31 118.57 3i7p h LEU 1058Ca 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3i7p h LEU 1058Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3i7p h LEU 1058CO -0.10 0.00 -0.08 0.78 0.09 0.00 0.00 178.44 179.12 3i7p h ASN 1059N 0.00 -0.20 -0.65 -0.43 2.35 -0.73 -2.61 115.58 113.31 3i7p h ASN 1059Ca 0.04 0.01 0.10 0.00 -0.55 0.00 0.00 56.30 55.90 3i7p h ASN 1059Cb 0.34 0.05 -0.10 0.00 0.05 0.00 0.00 38.32 38.66 3i7p h ASN 1059CO -0.00 0.16 -0.25 0.29 -1.65 0.00 0.00 177.43 175.98 3i7p n LYS 1060N -4.30 -0.15 -0.02 0.81 5.02 -1.15 0.02 118.16 118.39 3i7p n LYS 1060Ca -0.03 1.00 -0.09 0.00 -2.02 0.00 0.00 58.31 57.17 3i7p n LYS 1060Cb 0.09 -1.48 -0.04 0.00 -0.02 0.00 0.00 35.03 33.59 3i7p n LYS 1060CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3i7p h VAL 1061N 0.00 0.86 -3.06 -0.18 2.07 -1.65 -3.42 116.25 110.87 3i7p h VAL 1061Ca 0.23 -0.01 -0.57 0.00 0.82 0.00 0.00 66.70 67.17 3i7p h VAL 1061Cb 0.39 0.84 -0.05 0.00 -1.52 0.00 0.00 31.29 30.95 3i7p h VAL 1061CO -0.64 0.00 0.91 -0.63 0.02 0.00 0.00 177.57 177.23 3i7p s ILE 1062N -6.20 4.29 -0.36 4.57 1.01 0.10 -5.01 121.20 119.61 3i7p s ILE 1062Ca -0.13 1.51 -0.29 0.00 0.00 0.00 0.00 60.65 61.74 3i7p s ILE 1062Cb 0.09 -4.14 0.00 0.00 0.01 0.00 0.00 42.46 38.42 3i7p s ILE 1062CO 0.68 -0.31 1.45 -1.59 0.00 0.00 0.00 174.94 175.16 3i7p s LYS 1063N 3.76 3.65 0.87 2.79 0.00 -1.26 -4.87 119.74 124.68 3i7p s LYS 1063Ca 0.53 1.14 -0.12 0.00 0.00 0.00 0.00 55.97 57.52 3i7p s LYS 1063Cb -0.18 -4.01 0.12 0.00 0.00 0.00 0.00 37.83 33.76 3i7p s LYS 1063CO 0.17 -1.46 1.13 -1.54 0.00 0.00 0.00 175.35 173.65 3i7p s SER 1064N 3.92 3.83 -0.22 0.03 1.04 -1.26 -5.03 113.70 116.01 3i7p s SER 1064Ca 0.63 1.03 -0.11 0.00 0.48 0.00 0.00 55.95 57.98 3i7p s SER 1064Cb -0.16 -1.64 -0.05 0.00 0.10 0.00 0.00 66.02 64.26 3i7p s SER 1064CO 0.30 -2.35 0.18 -0.69 0.98 0.00 0.00 173.24 171.66 3i7p s VAL 1065N -3.27 5.35 0.00 5.02 1.01 -1.26 -3.56 120.40 123.69 3i7p s VAL 1065Ca 0.63 0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.86 3i7p s VAL 1065Cb -0.14 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.71 3i7p s VAL 1065CO 0.53 0.36 0.00 0.61 0.00 0.00 0.00 175.10 176.60 3i7p n GLY 1066N 4.04 0.76 3.74 4.51 0.00 -1.26 -3.83 105.19 113.14 3i7p n GLY 1066Ca -0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 3i7p n GLY 1066CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i7p n LYS 1067N -2.29 -3.67 -2.54 1.61 4.76 -1.23 -4.86 118.16 109.93 3i7p n LYS 1067Ca 0.00 0.46 -0.41 0.00 -2.87 0.00 0.00 58.31 55.48 3i7p n LYS 1067Cb 0.00 -5.21 -0.04 0.00 -1.84 0.00 0.00 35.03 27.95 3i7p n LYS 1067CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3i7p s ILE 1068N -3.10 4.08 -0.31 -0.18 1.01 -1.25 -5.01 121.20 116.44 3i7p s ILE 1068Ca 0.56 1.69 -0.29 0.00 0.00 0.00 0.00 60.65 62.61 3i7p s ILE 1068Cb -0.30 -4.08 0.00 0.00 0.01 0.00 0.00 42.46 38.09 3i7p s ILE 1068CO 0.69 0.24 1.33 -0.70 0.00 0.00 0.00 174.94 176.50 3i7p s GLU 1069N 0.10 3.87 0.31 2.79 2.56 -1.26 -4.69 118.70 122.37 3i7p s GLU 1069Ca 0.51 1.22 0.05 0.00 0.00 0.00 0.00 54.97 56.76 3i7p s GLU 1069Cb -0.28 -3.90 0.85 0.00 2.00 0.00 0.00 34.13 32.79 3i7p s GLU 1069CO 0.32 -1.18 1.61 1.25 -0.56 0.00 0.00 175.26 176.70 3i7p h HIS 1070N 9.52 0.30 0.00 5.30 -0.00 -1.95 0.38 115.15 128.71 3i7p h HIS 1070Ca -0.27 0.06 -0.07 0.00 -0.00 0.00 0.00 60.37 60.09 3i7p h HIS 1070Cb 1.10 0.02 -0.01 0.00 -0.00 0.00 0.00 27.41 28.52 3i7p h HIS 1070CO 0.90 -0.34 -0.35 0.66 -0.00 0.00 0.00 177.93 178.80 3i7p h SER 1071N 0.10 0.00 -0.25 3.26 4.64 -1.96 -0.40 113.55 118.94 3i7p h SER 1071Ca 0.63 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.87 3i7p h SER 1071Cb 1.37 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.45 3i7p h SER 1071CO -0.77 0.35 -0.12 0.15 -0.87 0.00 0.00 176.83 175.57 3i7p h PHE 1072N 0.00 0.60 0.35 4.77 3.57 -0.66 -3.01 116.94 122.57 3i7p h PHE 1072Ca -0.00 -0.15 -0.00 0.00 3.53 0.00 0.00 57.97 61.34 3i7p h PHE 1072Cb 1.09 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 39.66 3i7p h PHE 1072CO 0.00 0.79 -0.52 2.35 -2.23 0.00 0.00 178.31 178.70 3i7p h TRP 1073N 0.25 -1.47 0.00 0.41 -0.00 -1.24 -2.94 115.95 110.96 3i7p h TRP 1073Ca 0.06 0.02 0.00 0.00 -0.00 0.00 0.00 58.89 58.97 3i7p h TRP 1073Cb 0.63 0.59 0.00 0.00 -0.00 0.00 0.00 29.16 30.38 3i7p h TRP 1073CO 0.06 -0.65 0.00 0.54 -0.00 0.00 0.00 178.44 178.39 3i7p n ARG 1074N -5.54 0.52 -3.37 2.65 5.12 -0.17 -4.71 116.66 111.16 3i7p n ARG 1074Ca -0.11 0.00 -0.38 0.00 -1.93 0.00 0.00 57.85 55.44 3i7p n ARG 1074Cb 0.45 -1.05 -0.06 0.00 -1.16 0.00 0.00 32.46 30.63 3i7p n ARG 1074CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 3i7p s SER 1075N -1.54 6.67 0.22 0.55 0.01 -1.11 -2.17 113.70 116.33 3i7p s SER 1075Ca 0.03 0.80 -0.30 0.00 1.31 0.00 0.00 55.95 57.79 3i7p s SER 1075Cb 0.01 -2.27 -0.15 0.00 0.21 0.00 0.00 66.02 63.82 3i7p s SER 1075CO 0.02 0.06 0.96 0.33 0.41 0.00 0.00 173.24 175.03 3i7p n PHE 1076N 3.36 0.91 -3.36 2.43 7.35 -0.71 -4.46 117.46 122.99 3i7p n PHE 1076Ca -0.09 0.76 0.02 0.00 -0.76 0.00 0.00 57.45 57.39 3i7p n PHE 1076Cb 0.52 -2.20 -0.03 0.00 0.35 0.00 0.00 39.48 38.12 3i7p n PHE 1076CO 0.00 0.00 0.00 -1.58 -0.76 0.00 0.00 176.76 174.42 3i7p s HIS 1077N -0.73 -1.03 0.02 -5.13 5.65 -1.26 -2.93 115.29 109.88 3i7p s HIS 1077Ca 0.65 1.48 0.06 0.00 0.25 0.00 0.00 55.06 57.50 3i7p s HIS 1077Cb -0.81 0.50 -0.02 0.00 -1.18 0.00 0.00 32.58 31.07 3i7p s HIS 1077CO 0.57 -0.54 -0.19 0.95 -0.65 0.00 0.00 174.74 174.88 3i7p s THR 1078N 2.75 1.49 0.00 0.89 -4.23 -0.40 -4.89 115.64 111.25 3i7p s THR 1078Ca 0.02 -1.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.53 3i7p s THR 1078Cb -0.10 -1.28 0.00 0.00 1.34 0.00 0.00 72.50 72.46 3i7p s THR 1078CO -0.18 0.25 0.13 1.21 -0.54 0.00 0.00 174.62 175.50 3i7p n GLU 1079N 2.17 0.00 0.00 3.99 0.00 -1.26 0.13 120.64 125.66 3i7p n GLU 1079Ca -0.16 0.13 0.00 0.00 0.00 0.00 0.00 57.16 57.13 3i7p n GLU 1079Cb 0.54 -0.37 0.00 0.00 0.00 0.00 0.00 31.44 31.61 3i7p n GLU 1079CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 3i7p n ARG 1080N -0.40 0.00 -3.64 5.31 0.63 -1.26 -4.64 116.66 112.66 3i7p n ARG 1080Ca 0.00 0.00 -0.05 0.00 -0.92 0.00 0.00 57.85 56.88 3i7p n ARG 1080Cb 0.00 -0.66 -0.06 0.00 0.45 0.00 0.00 32.46 32.19 3i7p n ARG 1080CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 3i7p s LYS 1081N -0.23 0.21 -0.29 -0.14 2.20 0.34 -5.13 119.74 116.71 3i7p s LYS 1081Ca 0.00 0.20 -0.01 0.00 -0.36 0.00 0.00 55.97 55.80 3i7p s LYS 1081Cb 0.00 0.10 0.13 0.00 -1.51 0.00 0.00 37.83 36.55 3i7p s LYS 1081CO 0.00 -0.03 0.28 0.99 -0.36 0.00 0.00 175.35 176.23 3i7p s THR 1082N -0.14 -0.38 0.33 3.43 2.01 -1.26 -1.28 115.64 118.35 3i7p s THR 1082Ca 0.06 -0.49 0.04 0.00 0.31 0.00 0.00 61.69 61.61 3i7p s THR 1082Cb -0.04 -0.97 -0.02 0.00 0.01 0.00 0.00 72.50 71.48 3i7p s THR 1082CO -0.11 -0.47 0.48 -1.61 -0.69 0.00 0.00 174.62 172.22 3i7p s GLU 1083N 2.34 3.25 0.77 4.92 0.41 -1.15 -5.00 118.70 124.25 3i7p s GLU 1083Ca 0.09 -0.76 -0.07 0.00 -0.41 0.00 0.00 54.97 53.82 3i7p s GLU 1083Cb -0.14 -2.78 0.12 0.00 -1.78 0.00 0.00 34.13 29.55 3i7p s GLU 1083CO -0.32 0.12 1.07 -1.25 -0.49 0.00 0.00 175.26 174.40 3i7p s PRO 1084N -4.20 1.66 0.06 0.39 0.05 -1.26 -1.73 135.00 129.97 3i7p s PRO 1084Ca 0.42 -0.59 -0.30 0.00 0.05 0.00 0.00 61.00 60.57 3i7p s PRO 1084Cb -0.09 -2.15 -0.06 0.00 0.05 0.00 0.00 34.50 32.25 3i7p s PRO 1084CO 0.32 -1.58 1.18 0.00 0.05 0.00 0.00 177.00 176.97 3i7p s ALA 1085N -3.35 3.37 0.15 8.56 0.00 -1.26 -4.54 121.76 124.69 3i7p s ALA 1085Ca 0.65 0.82 0.08 0.00 0.00 0.00 0.00 51.96 53.52 3i7p s ALA 1085Cb -0.07 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 19.58 3i7p s ALA 1085CO 0.46 -0.41 -0.19 0.95 0.00 0.00 0.00 175.76 176.58 3i7p s THR 1086N 0.98 1.80 0.00 0.00 -4.23 -0.82 -4.85 115.64 108.52 3i7p s THR 1086Ca 0.58 -1.85 0.00 0.00 -1.18 0.00 0.00 61.69 59.24 3i7p s THR 1086Cb -0.29 -1.79 0.00 0.00 1.34 0.00 0.00 72.50 71.76 3i7p s THR 1086CO 0.29 -0.27 0.00 0.61 -0.54 0.00 0.00 174.62 174.71 3i7p n GLY 1087N 0.43 0.62 3.35 3.99 0.00 -1.26 0.07 105.19 112.40 3i7p n GLY 1087Ca -0.14 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.67 3i7p n GLY 1087CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i7p s PHE 1088N -2.69 1.82 -0.08 1.61 0.40 -1.26 -0.43 117.98 117.34 3i7p s PHE 1088Ca 0.00 -0.50 -0.03 0.00 -0.60 0.00 0.00 56.93 55.80 3i7p s PHE 1088Cb 0.00 -0.87 0.05 0.00 0.51 0.00 0.00 43.02 42.71 3i7p s PHE 1088CO 0.00 0.38 0.16 0.42 0.70 0.00 0.00 175.22 176.87 3i7p s ILE 1089N -2.45 -0.25 -0.53 0.64 1.01 -0.97 -4.94 121.20 113.70 3i7p s ILE 1089Ca 0.20 0.36 -0.24 0.00 0.00 0.00 0.00 60.65 60.96 3i7p s ILE 1089Cb -0.04 -0.29 0.04 0.00 0.01 0.00 0.00 42.46 42.18 3i7p s ILE 1089CO 0.07 0.15 0.93 1.51 0.00 0.00 0.00 174.94 177.60 3i7p s ASP 1090N 2.28 6.37 0.59 3.58 3.84 -1.26 0.08 116.67 132.15 3i7p s ASP 1090Ca 0.03 -0.26 0.29 0.00 -0.00 0.00 0.00 52.55 52.61 3i7p s ASP 1090Cb -0.12 -2.43 1.47 0.00 -1.38 0.00 0.00 42.92 40.46 3i7p s ASP 1090CO -0.06 -1.17 1.89 1.23 -0.00 0.00 0.00 175.17 177.06 3i7p h GLY 1091N 10.83 0.00 0.46 2.12 0.00 -1.83 0.34 103.07 115.00 3i7p h GLY 1091Ca -0.26 0.00 0.15 0.00 0.00 0.00 0.00 47.33 47.22 3i7p h GLY 1091CO 1.07 0.00 0.59 -0.55 0.00 0.00 0.00 176.54 177.65 3i7p h ASP 1092N 0.00 0.71 0.09 0.19 5.19 -1.86 2.19 116.42 122.93 3i7p h ASP 1092Ca 0.20 0.05 -0.32 0.00 -0.62 0.00 0.00 57.03 56.34 3i7p h ASP 1092Cb 1.17 -0.09 -0.02 0.00 0.18 0.00 0.00 39.33 40.57 3i7p h ASP 1092CO -0.00 0.35 -1.74 0.25 -3.12 0.00 0.00 179.24 174.97 3i7p h LEU 1093N 0.74 0.30 0.09 1.55 7.12 -0.89 -3.13 115.31 121.10 3i7p h LEU 1093Ca 0.47 -0.82 0.02 0.00 0.13 0.00 0.00 57.88 57.68 3i7p h LEU 1093Cb 0.72 -0.10 -0.05 0.00 -0.53 0.00 0.00 40.66 40.70 3i7p h LEU 1093CO -0.23 1.74 -0.48 0.40 -0.13 0.00 0.00 178.44 179.73 3i7p h ILE 1094N -0.26 0.07 -0.38 4.05 1.08 -0.11 -0.68 117.51 121.27 3i7p h ILE 1094Ca -0.39 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 64.19 3i7p h ILE 1094Cb 1.81 0.07 -0.02 0.00 -3.07 0.00 0.00 36.82 35.61 3i7p h ILE 1094CO 0.00 0.00 0.65 -0.33 -0.69 0.00 0.00 178.15 177.79 3i7p h GLU 1095N -0.69 0.00 -0.65 2.37 5.08 0.35 0.99 114.58 122.02 3i7p h GLU 1095Ca 0.01 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.46 3i7p h GLU 1095Cb 0.72 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.90 3i7p h GLU 1095CO -0.29 0.00 0.29 0.77 -1.00 0.00 0.00 179.01 178.79 3i7p h SER 1096N 0.00 0.35 -0.37 1.42 0.02 -1.05 -2.98 113.55 110.95 3i7p h SER 1096Ca 0.18 0.07 0.03 0.00 -0.84 0.00 0.00 61.79 61.23 3i7p h SER 1096Cb 1.49 0.01 -0.04 0.00 0.14 0.00 0.00 62.40 63.99 3i7p h SER 1096CO -0.00 0.21 -0.22 0.33 -1.14 0.00 0.00 176.83 176.01 3i7p n PHE 1097N -4.92 -0.16 0.03 3.45 7.35 0.34 0.24 117.46 123.80 3i7p n PHE 1097Ca 0.10 0.46 0.22 0.00 -0.76 0.00 0.00 57.45 57.46 3i7p n PHE 1097Cb 0.27 -0.53 0.73 0.00 0.35 0.00 0.00 39.48 40.29 3i7p n PHE 1097CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 3i7p h LEU 1098N 0.00 0.00 -2.90 -2.13 3.38 -1.74 0.22 115.31 112.14 3i7p h LEU 1098Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3i7p h LEU 1098Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3i7p h LEU 1098CO -0.35 0.00 0.00 0.47 0.09 0.00 0.00 178.44 178.65 3i7p n ASP 1099N -3.82 4.53 -4.62 -0.43 8.00 0.14 -4.83 116.55 115.52 3i7p n ASP 1099Ca 0.10 -2.68 -0.34 0.00 0.71 0.00 0.00 54.79 52.57 3i7p n ASP 1099Cb 0.70 -0.63 -0.10 0.00 -0.02 0.00 0.00 41.12 41.06 3i7p n ASP 1099CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3i7p s ILE 1100N -2.30 4.19 0.59 0.53 1.01 0.77 -5.10 121.20 120.89 3i7p s ILE 1100Ca 0.41 -0.28 -0.20 0.00 0.00 0.00 0.00 60.65 60.58 3i7p s ILE 1100Cb 0.31 -2.79 -0.04 0.00 0.01 0.00 0.00 42.46 39.95 3i7p s ILE 1100CO 0.12 0.56 1.27 -1.54 0.00 0.00 0.00 174.94 175.35 3i7p n SER 1101N 2.67 2.16 -0.31 3.58 3.41 -1.26 -4.78 113.62 119.09 3i7p n SER 1101Ca -0.18 0.90 0.14 0.00 -0.26 0.00 0.00 58.87 59.47 3i7p n SER 1101Cb 0.53 -1.54 0.37 0.00 -0.26 0.00 0.00 64.21 63.32 3i7p n SER 1101CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 3i7p h ARG 1102N 0.98 0.67 0.36 4.33 2.43 -1.97 -1.28 114.38 119.90 3i7p h ARG 1102Ca -0.50 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 58.61 3i7p h ARG 1102Cb 1.33 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.72 3i7p h ARG 1102CO 0.55 0.44 -0.30 -1.00 -1.51 0.00 0.00 179.97 178.15 3i7p h PRO 1103N 0.69 -0.62 0.00 0.20 0.13 -1.99 0.48 132.00 130.89 3i7p h PRO 1103Ca 0.51 0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.69 3i7p h PRO 1103Cb 0.89 0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.16 3i7p h PRO 1103CO -0.28 -0.41 0.37 0.87 -0.23 0.00 0.00 178.00 178.32 3i7p h LYS 1104N -0.65 0.00 0.03 0.86 1.79 -1.88 -1.09 116.57 115.63 3i7p h LYS 1104Ca -0.05 0.00 -0.28 0.00 -2.18 0.00 0.00 60.65 58.15 3i7p h LYS 1104Cb 0.54 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.16 3i7p h LYS 1104CO -0.00 0.00 -1.51 -0.12 -1.08 0.00 0.00 179.45 176.74 3i7p n MET 1105N -2.47 0.62 -0.04 3.15 1.56 -0.50 -3.83 117.12 115.60 3i7p n MET 1105Ca -0.01 0.48 -0.05 0.00 -0.27 0.00 0.00 57.70 57.85 3i7p n MET 1105Cb 0.41 -1.73 -0.04 0.00 2.15 0.00 0.00 33.22 34.01 3i7p n MET 1105CO 0.00 0.00 0.00 1.96 -0.73 0.00 0.00 175.97 177.20 3i7p h GLN 1106N -0.72 -0.16 -0.18 2.12 1.08 0.12 -1.89 115.11 115.48 3i7p h GLN 1106Ca -0.39 0.01 0.04 0.00 -1.45 0.00 0.00 58.65 56.86 3i7p h GLN 1106Cb 1.51 0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 28.94 3i7p h GLN 1106CO -0.14 -0.11 -0.04 0.39 -0.95 0.00 0.00 178.83 177.98 3i7p n GLU 1107N -3.66 -0.02 0.15 1.46 1.02 -0.67 0.23 120.64 119.16 3i7p n GLU 1107Ca -0.02 0.28 0.08 0.00 -0.02 0.00 0.00 57.16 57.49 3i7p n GLU 1107Cb 0.13 -0.43 0.43 0.00 -0.02 0.00 0.00 31.44 31.55 3i7p n GLU 1107CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3i7p n VAL 1108N -4.27 0.90 -4.41 2.62 0.31 -0.71 -4.44 118.33 108.33 3i7p n VAL 1108Ca 0.03 0.72 -0.24 0.00 -0.01 0.00 0.00 64.34 64.84 3i7p n VAL 1108Cb 0.10 -1.72 -0.09 0.00 -0.91 0.00 0.00 33.84 31.22 3i7p n VAL 1108CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3i7p s VAL 1109N -3.38 2.79 0.00 2.52 1.01 0.62 -4.82 120.40 119.13 3i7p s VAL 1109Ca -0.02 -2.24 0.00 0.00 0.00 0.00 0.00 61.98 59.72 3i7p s VAL 1109Cb 0.05 -2.49 0.00 0.00 0.00 0.00 0.00 36.38 33.93 3i7p s VAL 1109CO 0.14 -0.38 0.00 0.00 0.00 0.00 0.00 175.10 174.86 3i7p n ALA 1110N -0.72 0.00 -3.61 5.51 0.00 -1.26 -4.97 120.51 115.46 3i7p n ALA 1110Ca -0.05 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.36 3i7p n ALA 1110Cb 0.60 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.03 3i7p n ALA 1110CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i7p s ASN 1111N 0.00 -0.14 0.00 0.00 4.22 -1.26 -5.11 114.94 112.65 3i7p s ASN 1111Ca 0.00 -0.09 0.00 0.00 -2.14 0.00 0.00 52.86 50.63 3i7p s ASN 1111Cb 0.00 0.21 0.00 0.00 1.28 0.00 0.00 41.25 42.74 3i7p s ASN 1111CO 0.00 -0.36 0.00 -2.11 -2.04 0.00 0.00 177.10 172.59 3i7p n ARG 1122N -0.29 0.00 -4.31 3.55 1.85 -1.26 -4.67 116.66 111.54 3i7p n ARG 1122Ca -0.04 0.00 -0.20 0.00 -1.00 0.00 0.00 57.85 56.61 3i7p n ARG 1122Cb 0.60 -0.03 -0.08 0.00 -1.05 0.00 0.00 32.46 31.90 3i7p n ARG 1122CO 0.00 0.00 0.00 -2.00 -0.01 0.00 0.00 177.63 175.62 3i7p s GLU 1123N -0.13 1.75 -0.23 2.89 2.12 -1.26 -5.17 118.70 118.68 3i7p s GLU 1123Ca 0.00 -2.02 -0.04 0.00 0.36 0.00 0.00 54.97 53.27 3i7p s GLU 1123Cb 0.00 0.22 0.12 0.00 0.26 0.00 0.00 34.13 34.73 3i7p s GLU 1123CO 0.00 -0.62 0.39 0.00 -0.54 0.00 0.00 175.26 174.49 3i7p s ALA 1124N -3.45 -1.11 0.00 6.30 0.00 -1.26 -5.17 121.76 117.07 3i7p s ALA 1124Ca 0.39 1.07 0.00 0.00 0.00 0.00 0.00 51.96 53.42 3i7p s ALA 1124Cb 0.03 -1.57 0.00 0.00 0.00 0.00 0.00 23.12 21.57 3i7p s ALA 1124CO 0.26 -1.12 0.00 2.41 0.00 0.00 0.00 175.76 177.31 3i7p n THR 1125N 5.37 0.00 0.00 0.00 -1.04 -1.26 -4.94 114.28 112.41 3i7p n THR 1125Ca -0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.96 3i7p n THR 1125Cb 0.50 -0.24 0.00 0.00 -1.82 0.00 0.00 70.33 68.77 3i7p n THR 1125CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3i7p n ALA 1126N -3.00 1.80 -0.48 2.41 0.00 -1.26 -4.79 120.51 115.19 3i7p n ALA 1126Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i7p n ALA 1126Cb 0.00 0.23 0.00 0.00 0.00 0.00 0.00 19.45 19.68 3i7p n ALA 1126CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3i7p n ASP 1127N -1.76 1.11 0.05 0.00 5.68 -1.26 -4.59 116.55 115.78 3i7p n ASP 1127Ca 0.00 -1.58 -0.13 0.00 -0.50 0.00 0.00 54.79 52.58 3i7p n ASP 1127Cb 0.31 -0.01 -0.09 0.00 -1.14 0.00 0.00 41.12 40.20 3i7p n ASP 1127CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 3i7p h ASP 1128N 0.00 -0.12 -0.37 -1.12 3.45 -1.99 -3.34 116.42 112.93 3i7p h ASP 1128Ca 0.00 -0.30 -0.04 0.00 0.43 0.00 0.00 57.03 57.13 3i7p h ASP 1128Cb 0.74 0.03 -0.02 0.00 -0.56 0.00 0.00 39.33 39.52 3i7p h ASP 1128CO 0.00 0.25 0.09 -0.07 -1.57 0.00 0.00 179.24 177.94 3i7p h LEU 1129N -0.50 0.57 0.00 1.55 -0.00 -1.91 0.22 115.31 115.24 3i7p h LEU 1129Ca -0.01 -0.23 0.00 0.00 -0.00 0.00 0.00 57.88 57.63 3i7p h LEU 1129Cb 0.41 -0.15 0.00 0.00 -0.00 0.00 0.00 40.66 40.92 3i7p h LEU 1129CO 0.02 0.65 0.00 0.00 -0.00 0.00 0.00 178.44 179.11 3i7p n ILE 1130N -4.59 0.00 0.00 1.22 3.06 -1.26 -0.05 119.36 117.74 3i7p n ILE 1130Ca -0.01 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.24 3i7p n ILE 1130Cb 0.20 -0.97 0.00 0.00 0.54 0.00 0.00 39.64 39.41 3i7p n ILE 1130CO 0.00 0.00 0.00 1.17 -2.50 0.00 0.00 176.55 175.22 3i7p n LYS 1131N -0.82 3.21 -0.02 9.51 4.81 0.62 -4.28 118.16 131.19 3i7p n LYS 1131Ca 0.00 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.31 3i7p n LYS 1131Cb 0.00 -0.55 -0.01 0.00 0.02 0.00 0.00 35.03 34.49 3i7p n LYS 1131CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 3i7p h VAL 1132N 0.00 1.30 -0.15 3.15 2.07 0.12 -3.07 116.25 119.68 3i7p h VAL 1132Ca 0.00 -1.86 -0.01 0.00 0.82 0.00 0.00 66.70 65.65 3i7p h VAL 1132Cb 0.00 1.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 3i7p h VAL 1132CO 0.00 0.59 0.05 0.58 0.02 0.00 0.00 177.57 178.81 3i7p h VAL 1133N 0.52 1.18 -0.30 2.57 2.07 -0.83 -3.08 116.25 118.39 3i7p h VAL 1133Ca -0.01 -0.54 0.05 0.00 0.82 0.00 0.00 66.70 67.02 3i7p h VAL 1133Cb 1.21 1.26 -0.08 0.00 -1.52 0.00 0.00 31.29 32.16 3i7p h VAL 1133CO 0.13 0.17 -0.49 -0.33 0.02 0.00 0.00 177.57 177.06 3i7p h GLU 1134N 0.07 -0.42 0.00 1.57 5.08 -1.74 0.09 114.58 119.22 3i7p h GLU 1134Ca 0.05 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3i7p h GLU 1134Cb 0.21 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.56 3i7p h GLU 1134CO -0.00 -0.28 0.01 -1.91 -1.00 0.00 0.00 179.01 175.82 3i7p n GLU 1135N -5.41 0.00 -0.14 2.33 2.13 -1.16 -0.28 120.64 118.11 3i7p n GLU 1135Ca -0.03 0.16 -0.28 0.00 0.66 0.00 0.00 57.16 57.67 3i7p n GLU 1135Cb 0.36 -1.51 -0.10 0.00 0.27 0.00 0.00 31.44 30.46 3i7p n GLU 1135CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3i7p n LEU 1136N -1.15 2.11 -0.52 4.31 4.77 -0.06 -4.48 117.00 121.99 3i7p n LEU 1136Ca 0.00 0.26 0.44 0.00 -0.03 0.00 0.00 56.01 56.68 3i7p n LEU 1136Cb 0.01 -0.83 0.75 0.00 -2.33 0.00 0.00 43.42 41.01 3i7p n LEU 1136CO 0.00 0.63 1.41 0.71 -1.33 0.00 0.00 177.39 178.81 3i7p h THR 1137N -0.83 0.10 -0.27 -5.08 1.35 0.18 0.96 112.91 109.32 3i7p h THR 1137Ca -0.68 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.18 3i7p h THR 1137Cb 1.66 0.12 0.00 0.00 -1.73 0.00 0.00 68.15 68.20 3i7p h THR 1137CO -0.37 0.00 0.00 0.54 -0.25 0.00 0.00 175.52 175.44 3i7p n ARG 1138N -3.87 1.71 0.24 4.72 1.74 -1.20 -3.38 116.66 116.62 3i7p n ARG 1138Ca 0.36 -1.01 0.11 0.00 -0.77 0.00 0.00 57.85 56.54 3i7p n ARG 1138Cb 1.73 -1.26 0.59 0.00 -1.02 0.00 0.00 32.46 32.49 3i7p n ARG 1138CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 3i7p h ILE 1139N 1.61 0.57 0.00 0.55 2.04 0.72 -3.47 117.51 119.52 3i7p h ILE 1139Ca 0.00 -0.85 0.00 0.00 1.00 0.00 0.00 64.86 65.01 3i7p h ILE 1139Cb 0.43 1.57 0.00 0.00 -0.74 0.00 0.00 36.82 38.07 3i7p h ILE 1139CO 0.02 0.18 0.00 0.00 0.00 0.00 0.00 178.15 178.34