#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i2b s ARG 9 N 0.00 0.91 -0.03 2.89 1.81 -1.26 -5.11 118.95 118.17 3i2b s ARG 9 Ca 0.00 -1.24 0.07 0.00 -1.72 0.00 0.00 55.73 52.84 3i2b s ARG 9 Cb 0.00 -0.58 -0.02 0.00 -0.45 0.00 0.00 34.95 33.91 3i2b s ARG 9 CO 0.00 0.09 -0.23 0.00 -0.68 0.00 0.00 175.30 174.47 3i2b s GLN 11 N -0.46 3.69 0.15 0.00 -1.52 -1.26 0.24 119.66 120.49 3i2b s GLN 11 Ca 0.07 0.06 -0.14 0.00 -1.95 0.00 0.00 55.36 53.40 3i2b s GLN 11 Cb -0.10 -3.00 0.02 0.00 -0.22 0.00 0.00 33.01 29.71 3i2b s GLN 11 CO -0.00 0.57 0.38 0.00 -0.25 0.00 0.00 175.29 175.99 3i2b s ALA 12 N -1.41 -0.65 -0.09 6.09 0.00 -0.39 -4.91 121.76 120.40 3i2b s ALA 12 Ca 0.33 -0.34 -0.01 0.00 0.00 0.00 0.00 51.96 51.94 3i2b s ALA 12 Cb -0.13 0.74 -0.03 0.00 0.00 0.00 0.00 23.12 23.70 3i2b s ALA 12 CO 0.19 -0.67 -0.05 -0.65 0.00 0.00 0.00 175.76 174.57 3i2b s GLN 13 N -3.86 3.00 -0.05 0.00 -0.21 -1.26 -2.38 119.66 114.89 3i2b s GLN 13 Ca 0.08 -0.52 0.03 0.00 0.02 0.00 0.00 55.36 54.97 3i2b s GLN 13 Cb 0.02 -2.70 0.01 0.00 1.00 0.00 0.00 33.01 31.34 3i2b s GLN 13 CO -0.07 0.57 -0.14 0.08 -2.12 0.00 0.00 175.29 173.62 3i2b s VAL 14 N -0.55 1.20 0.06 1.09 1.01 -0.21 -4.98 120.40 118.03 3i2b s VAL 14 Ca 0.08 -0.55 0.07 0.00 0.00 0.00 0.00 61.98 61.59 3i2b s VAL 14 Cb -0.12 -1.06 -0.03 0.00 0.00 0.00 0.00 36.38 35.17 3i2b s VAL 14 CO 0.02 0.36 -0.20 -0.44 0.00 0.00 0.00 175.10 174.84 3i2b s SER 15 N 0.38 2.41 -0.03 3.32 0.01 -1.26 -0.70 113.70 117.82 3i2b s SER 15 Ca -0.09 -0.58 0.04 0.00 1.31 0.00 0.00 55.95 56.62 3i2b s SER 15 Cb -0.13 -0.17 -0.00 0.00 0.21 0.00 0.00 66.02 65.93 3i2b s SER 15 CO 0.03 0.11 -0.14 -0.60 0.41 0.00 0.00 173.24 173.05 3i2b s ARG 16 N -1.45 1.40 -0.14 12.44 3.52 -0.47 -4.97 118.95 129.28 3i2b s ARG 16 Ca 0.06 -0.48 -0.03 0.00 -0.13 0.00 0.00 55.73 55.16 3i2b s ARG 16 Cb -0.09 -1.25 -0.03 0.00 -1.56 0.00 0.00 34.95 32.02 3i2b s ARG 16 CO 0.03 0.19 -0.06 0.50 -0.81 0.00 0.00 175.30 175.15 3i2b s ARG 17 N 0.08 3.56 0.26 5.12 3.52 -1.26 -1.45 118.95 128.78 3i2b s ARG 17 Ca -0.03 -0.55 0.02 0.00 -0.13 0.00 0.00 55.73 55.04 3i2b s ARG 17 Cb -0.10 -2.84 -0.05 0.00 -1.56 0.00 0.00 34.95 30.40 3i2b s ARG 17 CO 0.01 0.27 0.08 0.96 -0.81 0.00 0.00 175.30 175.82 3i2b s ILE 18 N 0.27 0.62 0.17 4.11 -4.36 -0.55 -4.98 121.20 116.48 3i2b s ILE 18 Ca -0.04 -2.00 0.06 0.00 -0.26 0.00 0.00 60.65 58.41 3i2b s ILE 18 Cb -0.14 -2.61 -0.04 0.00 1.25 0.00 0.00 42.46 40.92 3i2b s ILE 18 CO 0.03 -0.04 -0.12 -0.94 0.24 0.00 0.00 174.94 174.11 3i2b s SER 19 N -3.32 2.12 0.03 4.36 1.04 -1.26 -0.45 113.70 116.22 3i2b s SER 19 Ca 0.37 -0.99 -0.07 0.00 0.48 0.00 0.00 55.95 55.73 3i2b s SER 19 Cb 0.08 -0.07 -0.00 0.00 0.10 0.00 0.00 66.02 66.13 3i2b s SER 19 CO 0.13 -0.24 0.14 0.72 0.98 0.00 0.00 173.24 174.97 3i2b s PHE 20 N -3.04 0.10 -0.19 5.02 -0.71 -0.34 -4.99 117.98 113.83 3i2b s PHE 20 Ca 0.18 -0.30 -0.08 0.00 -1.04 0.00 0.00 56.93 55.69 3i2b s PHE 20 Cb 0.00 -0.07 -0.04 0.00 -1.21 0.00 0.00 43.02 41.70 3i2b s PHE 20 CO 0.03 -0.36 0.07 -1.12 -1.34 0.00 0.00 175.22 172.51 3i2b s SER 21 N -1.85 5.69 0.05 1.98 0.01 -1.26 -0.50 113.70 117.82 3i2b s SER 21 Ca -0.09 0.09 -0.11 0.00 1.31 0.00 0.00 55.95 57.15 3i2b s SER 21 Cb -0.03 -1.98 0.01 0.00 0.21 0.00 0.00 66.02 64.23 3i2b s SER 21 CO -0.02 0.16 0.24 0.00 0.41 0.00 0.00 173.24 174.03 3i2b s ALA 22 N 0.44 -0.48 0.25 1.44 0.00 -0.83 0.13 121.76 122.71 3i2b s ALA 22 Ca 0.04 -0.21 0.07 0.00 0.00 0.00 0.00 51.96 51.86 3i2b s ALA 22 Cb -0.12 0.34 -0.04 0.00 0.00 0.00 0.00 23.12 23.30 3i2b s ALA 22 CO 0.00 -0.41 0.16 -1.54 0.00 0.00 0.00 175.76 173.97 3i2b s SER 23 N -2.21 5.34 0.21 0.00 1.04 -0.52 -1.12 113.70 116.44 3i2b s SER 23 Ca -0.03 -0.32 -0.23 0.00 0.48 0.00 0.00 55.95 55.84 3i2b s SER 23 Cb -0.00 -1.30 0.05 0.00 0.10 0.00 0.00 66.02 64.87 3i2b s SER 23 CO -0.05 -0.03 0.88 -1.38 0.98 0.00 0.00 173.24 173.64 3i2b s HIS 24 N -2.17 -0.12 -0.02 5.02 -0.00 -0.03 -1.29 115.29 116.69 3i2b s HIS 24 Ca 0.33 -0.27 0.01 0.00 -0.00 0.00 0.00 55.06 55.12 3i2b s HIS 24 Cb -0.08 0.68 0.02 0.00 -0.00 0.00 0.00 32.58 33.21 3i2b s HIS 24 CO 0.24 -1.02 -0.01 0.50 -0.00 0.00 0.00 174.74 174.46 3i2b s ARG 25 N -3.34 0.30 -0.25 -0.38 3.52 -1.26 -1.57 118.95 115.97 3i2b s ARG 25 Ca 0.13 0.03 -0.19 0.00 -0.13 0.00 0.00 55.73 55.57 3i2b s ARG 25 Cb -0.03 -0.44 -0.02 0.00 -1.56 0.00 0.00 34.95 32.90 3i2b s ARG 25 CO 0.05 -0.09 0.56 -0.51 -0.81 0.00 0.00 175.30 174.49 3i2b s LEU 26 N 0.79 4.07 -0.20 -0.88 1.43 -0.66 -4.59 118.68 118.64 3i2b s LEU 26 Ca -0.08 0.62 -0.21 0.00 -1.03 0.00 0.00 54.13 53.43 3i2b s LEU 26 Cb -0.11 -2.75 0.06 0.00 0.03 0.00 0.00 46.19 43.42 3i2b s LEU 26 CO -0.01 -0.30 0.59 -0.72 0.23 0.00 0.00 176.35 176.13 3i2b s TYR 27 N 2.27 -0.63 -0.21 0.29 -0.85 -1.26 -4.14 117.35 112.82 3i2b s TYR 27 Ca 0.24 1.51 -0.09 0.00 -0.52 0.00 0.00 57.07 58.21 3i2b s TYR 27 Cb -0.16 0.23 -0.05 0.00 0.38 0.00 0.00 41.96 42.37 3i2b s TYR 27 CO 0.09 -0.33 0.11 0.45 -1.52 0.00 0.00 175.55 174.35 3i2b s SER 28 N 0.16 5.92 0.50 -0.18 0.15 -1.26 -4.55 113.70 114.44 3i2b s SER 28 Ca -0.01 0.12 0.25 0.00 0.70 0.00 0.00 55.95 57.01 3i2b s SER 28 Cb -0.04 -2.04 1.33 0.00 -1.71 0.00 0.00 66.02 63.56 3i2b s SER 28 CO 0.02 0.13 1.91 0.07 1.20 0.00 0.00 173.24 176.56 3i2b h LYS 29 N 7.04 0.13 -0.00 5.44 -0.00 -1.96 -1.69 116.57 125.53 3i2b h LYS 29 Ca -0.39 -0.01 0.00 0.00 -0.00 0.00 0.00 60.65 60.26 3i2b h LYS 29 Cb 1.16 -0.03 0.00 0.00 -0.00 0.00 0.00 32.23 33.36 3i2b h LYS 29 CO 0.70 0.09 -0.11 1.19 -0.00 0.00 0.00 179.45 181.31 3i2b n PHE 30 N -4.37 0.00 -4.21 0.07 3.72 -1.26 -4.88 117.46 106.52 3i2b n PHE 30 Ca 0.16 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.33 3i2b n PHE 30 Cb 0.79 -0.38 -0.06 0.00 -0.94 0.00 0.00 39.48 38.88 3i2b n PHE 30 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3i2b s LEU 31 N -2.86 3.43 0.91 4.37 1.43 -0.64 -5.13 118.68 120.19 3i2b s LEU 31 Ca 0.18 -0.44 -0.12 0.00 -1.03 0.00 0.00 54.13 52.71 3i2b s LEU 31 Cb 0.19 -1.99 0.14 0.00 0.03 0.00 0.00 46.19 44.56 3i2b s LEU 31 CO 0.54 0.02 1.10 -0.94 0.23 0.00 0.00 176.35 177.30 3i2b s SER 32 N -3.50 3.38 0.40 2.29 1.04 -1.26 -4.79 113.70 111.27 3i2b s SER 32 Ca 0.31 1.34 0.09 0.00 0.48 0.00 0.00 55.95 58.17 3i2b s SER 32 Cb -0.08 -2.01 0.84 0.00 0.10 0.00 0.00 66.02 64.87 3i2b s SER 32 CO 0.21 -2.67 1.97 0.44 0.98 0.00 0.00 173.24 174.17 3i2b h ASP 33 N -1.58 0.28 -0.07 7.02 3.32 -1.98 0.18 116.42 123.58 3i2b h ASP 33 Ca -0.51 -0.04 -0.04 0.00 0.02 0.00 0.00 57.03 56.47 3i2b h ASP 33 Cb 1.30 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 40.78 3i2b h ASP 33 CO 0.57 0.34 -0.10 -0.33 -1.72 0.00 0.00 179.24 178.00 3i2b h GLU 34 N 0.30 0.20 -0.35 3.56 3.07 -2.00 -2.36 114.58 117.00 3i2b h GLU 34 Ca 0.07 -0.11 -0.07 0.00 -0.50 0.00 0.00 59.36 58.74 3i2b h GLU 34 Cb 0.23 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.13 3i2b h GLU 34 CO 0.01 0.67 -0.09 0.93 -1.40 0.00 0.00 179.01 179.12 3i2b h GLU 35 N -0.26 0.58 -0.07 2.33 5.08 -1.86 -1.80 114.58 118.58 3i2b h GLU 35 Ca 0.01 -0.17 -0.09 0.00 -1.00 0.00 0.00 59.36 58.11 3i2b h GLU 35 Cb 0.65 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 3i2b h GLU 35 CO 0.02 0.68 -0.37 -0.91 -1.00 0.00 0.00 179.01 177.42 3i2b h ASN 36 N 0.54 0.15 -0.19 1.42 2.35 -0.64 -1.06 115.58 118.15 3i2b h ASN 36 Ca 0.10 -0.06 -0.09 0.00 -0.55 0.00 0.00 56.30 55.71 3i2b h ASN 36 Cb 0.49 -0.04 -0.00 0.00 0.05 0.00 0.00 38.32 38.81 3i2b h ASN 36 CO 0.03 0.52 -0.23 0.25 -1.65 0.00 0.00 177.43 176.35 3i2b h LEU 37 N 0.13 0.52 -0.67 1.61 5.85 -1.12 -1.91 115.31 119.73 3i2b h LEU 37 Ca 0.01 -0.50 -0.04 0.00 0.84 0.00 0.00 57.88 58.19 3i2b h LEU 37 Cb 0.73 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.58 3i2b h LEU 37 CO 0.05 0.92 0.26 0.11 -0.34 0.00 0.00 178.44 179.45 3i2b h LYS 38 N 0.14 1.00 0.07 1.25 1.79 -1.10 -0.17 116.57 119.56 3i2b h LYS 38 Ca 0.02 -0.18 -0.13 0.00 -2.18 0.00 0.00 60.65 58.18 3i2b h LYS 38 Cb 0.79 -0.16 0.01 0.00 -1.58 0.00 0.00 32.23 31.29 3i2b h LYS 38 CO 0.05 0.84 -0.57 1.25 -1.08 0.00 0.00 179.45 179.95 3i2b h LEU 39 N 0.95 0.37 0.00 2.94 5.85 -1.26 -3.38 115.31 120.78 3i2b h LEU 39 Ca 0.22 -0.91 0.00 0.00 0.84 0.00 0.00 57.88 58.04 3i2b h LEU 39 Cb 0.21 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.13 3i2b h LEU 39 CO -0.02 1.24 -1.13 0.49 -0.34 0.00 0.00 178.44 178.68 3i2b n PHE 40 N -4.27 0.02 -0.18 1.25 3.72 -0.72 -5.05 117.46 112.23 3i2b n PHE 40 Ca -0.12 0.01 0.00 0.00 -0.05 0.00 0.00 57.45 57.29 3i2b n PHE 40 Cb 0.70 -0.14 0.00 0.00 -0.94 0.00 0.00 39.48 39.10 3i2b n PHE 40 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3i2b n GLY 41 N 1.45 3.15 0.26 1.37 0.00 -0.08 -1.82 105.19 109.52 3i2b n GLY 41 Ca 0.03 -0.07 0.10 0.00 0.00 0.00 0.00 46.02 46.08 3i2b n GLY 41 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3i2b h LYS 42 N 0.00 0.00 0.00 1.61 2.10 -1.96 -0.60 116.57 117.72 3i2b h LYS 42 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3i2b h LYS 42 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 3i2b h LYS 42 CO 0.00 0.11 0.00 0.00 -2.00 0.00 0.00 179.45 177.56 3i2b n ASN 44 N -2.17 1.91 -4.65 0.00 2.85 -0.23 -1.65 115.26 111.32 3i2b n ASN 44 Ca -0.00 -1.77 -0.58 0.00 -0.11 0.00 0.00 54.58 52.12 3i2b n ASN 44 Cb 0.09 -0.13 -0.08 0.00 1.24 0.00 0.00 39.78 40.90 3i2b n ASN 44 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 3i2b n ASN 45 N 0.49 1.52 -0.32 1.20 5.15 -0.45 -4.80 115.26 118.05 3i2b n ASN 45 Ca 0.16 1.12 0.08 0.00 -0.60 0.00 0.00 54.58 55.35 3i2b n ASN 45 Cb 0.36 -1.06 0.28 0.00 -0.53 0.00 0.00 39.78 38.83 3i2b n ASN 45 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 3i2b h PRO 46 N 5.29 0.88 -0.20 1.20 0.11 -1.93 -0.55 132.00 136.78 3i2b h PRO 46 Ca -0.47 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3i2b h PRO 46 Cb 1.35 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3i2b h PRO 46 CO 0.86 0.58 0.00 0.09 -0.21 0.00 0.00 178.00 179.32 3i2b n ASN 47 N -4.58 1.81 0.00 -2.05 3.02 -1.26 -5.03 115.26 107.17 3i2b n ASN 47 Ca 0.18 -1.76 0.00 0.00 -0.03 0.00 0.00 54.58 52.97 3i2b n ASN 47 Cb 0.37 -0.13 0.00 0.00 -0.61 0.00 0.00 39.78 39.41 3i2b n ASN 47 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i2b n GLY 48 N 1.15 0.05 0.81 7.41 0.00 -0.22 -5.02 105.19 109.36 3i2b n GLY 48 Ca 0.16 -1.97 -0.03 0.00 0.00 0.00 0.00 46.02 44.18 3i2b n GLY 48 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3i2b n HIS 49 N -0.14 -0.81 -3.90 1.61 1.44 -0.61 -4.85 115.22 107.96 3i2b n HIS 49 Ca 0.00 -0.53 -0.09 0.00 -2.01 0.00 0.00 57.72 55.10 3i2b n HIS 49 Cb 0.00 0.15 -0.04 0.00 0.12 0.00 0.00 29.99 30.22 3i2b n HIS 49 CO 0.00 0.00 0.00 0.20 -2.81 0.00 0.00 176.34 173.73 3i2b s GLY 50 N -1.50 0.21 0.00 -1.39 0.00 -1.26 -0.85 107.32 102.53 3i2b s GLY 50 Ca 0.06 -0.57 -0.06 0.00 0.00 0.00 0.00 44.72 44.15 3i2b s GLY 50 CO 0.04 -0.39 0.11 0.30 0.00 0.00 0.00 173.10 173.16 3i2b s HIS 51 N -3.96 0.05 -0.86 1.90 3.76 -0.27 -4.99 115.29 110.92 3i2b s HIS 51 Ca 0.16 -0.14 -0.21 0.00 -0.15 0.00 0.00 55.06 54.71 3i2b s HIS 51 Cb -0.02 -0.06 0.09 0.00 1.11 0.00 0.00 32.58 33.70 3i2b s HIS 51 CO 0.06 -0.25 1.16 -0.80 -0.85 0.00 0.00 174.74 174.06 3i2b s ASN 52 N -1.26 6.44 0.32 1.40 0.01 -1.26 -1.96 114.94 118.63 3i2b s ASN 52 Ca -0.13 -1.50 -0.28 0.00 -0.71 0.00 0.00 52.86 50.23 3i2b s ASN 52 Cb -0.07 -2.45 -0.10 0.00 0.41 0.00 0.00 41.25 39.04 3i2b s ASN 52 CO 0.01 -1.32 1.19 -0.31 -1.51 0.00 0.00 177.10 175.15 3i2b s TYR 53 N 3.80 3.28 -0.08 2.20 1.51 0.34 -4.76 117.35 123.64 3i2b s TYR 53 Ca 0.33 1.57 0.03 0.00 -1.01 0.00 0.00 57.07 57.99 3i2b s TYR 53 Cb -0.07 -3.45 -0.02 0.00 -0.11 0.00 0.00 41.96 38.31 3i2b s TYR 53 CO -0.02 -1.17 -0.16 0.15 -1.11 0.00 0.00 175.55 173.23 3i2b s LYS 54 N -1.76 2.78 -0.09 -0.62 1.02 -0.65 -1.20 119.74 119.22 3i2b s LYS 54 Ca 0.49 -0.74 0.03 0.00 0.02 0.00 0.00 55.97 55.76 3i2b s LYS 54 Cb -0.34 -2.41 0.01 0.00 -0.52 0.00 0.00 37.83 34.57 3i2b s LYS 54 CO 0.45 0.45 -0.17 0.08 -0.92 0.00 0.00 175.35 175.23 3i2b s VAL 55 N -0.28 1.56 -0.22 3.17 1.01 0.40 -0.24 120.40 125.81 3i2b s VAL 55 Ca 0.02 -0.71 -0.04 0.00 0.00 0.00 0.00 61.98 61.25 3i2b s VAL 55 Cb -0.13 -1.39 -0.01 0.00 0.00 0.00 0.00 36.38 34.85 3i2b s VAL 55 CO 0.03 0.45 -0.04 -0.69 0.00 0.00 0.00 175.10 174.85 3i2b s VAL 56 N 0.70 3.41 -0.20 2.92 1.01 0.27 -1.48 120.40 127.02 3i2b s VAL 56 Ca -0.13 -0.48 -0.06 0.00 0.00 0.00 0.00 61.98 61.31 3i2b s VAL 56 Cb -0.16 -2.55 -0.03 0.00 0.00 0.00 0.00 36.38 33.64 3i2b s VAL 56 CO 0.03 0.42 0.03 -0.69 0.00 0.00 0.00 175.10 174.90 3i2b s VAL 57 N 1.42 4.32 -0.14 2.92 1.01 -0.52 -0.93 120.40 128.47 3i2b s VAL 57 Ca 0.05 -0.19 0.01 0.00 0.00 0.00 0.00 61.98 61.85 3i2b s VAL 57 Cb -0.14 -2.96 -0.01 0.00 0.00 0.00 0.00 36.38 33.27 3i2b s VAL 57 CO -0.03 0.42 -0.15 -0.89 0.00 0.00 0.00 175.10 174.45 3i2b s THR 58 N 0.88 2.76 0.31 3.92 2.01 0.03 -1.37 115.64 124.17 3i2b s THR 58 Ca 0.02 -0.75 0.09 0.00 0.31 0.00 0.00 61.69 61.36 3i2b s THR 58 Cb -0.14 -2.15 -0.04 0.00 0.01 0.00 0.00 72.50 70.18 3i2b s THR 58 CO 0.02 0.52 0.07 0.68 -0.69 0.00 0.00 174.62 175.23 3i2b s VAL 59 N 0.55 3.24 0.08 3.82 -7.23 0.12 -0.83 120.40 120.15 3i2b s VAL 59 Ca -0.10 -1.79 -0.04 0.00 -1.81 0.00 0.00 61.98 58.24 3i2b s VAL 59 Cb -0.16 -2.93 -0.02 0.00 0.56 0.00 0.00 36.38 33.83 3i2b s VAL 59 CO 0.04 -0.27 0.08 -1.38 -0.31 0.00 0.00 175.10 173.25 3i2b s HIS 60 N -2.38 0.41 -5.00 2.82 -3.43 -0.18 -1.04 115.29 106.49 3i2b s HIS 60 Ca 0.35 -0.89 0.00 0.00 -0.80 0.00 0.00 55.06 53.72 3i2b s HIS 60 Cb -0.04 -0.26 0.00 0.00 -1.43 0.00 0.00 32.58 30.85 3i2b s HIS 60 CO 0.21 -0.47 0.00 0.41 -2.00 0.00 0.00 174.74 172.89 3i2b n GLY 61 N 0.01 -2.04 3.76 -1.38 0.00 -1.00 -4.57 105.19 99.96 3i2b n GLY 61 Ca -0.13 -1.27 -0.40 0.00 0.00 0.00 0.00 46.02 44.22 3i2b n GLY 61 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3i2b s GLU 62 N -2.00 4.64 -0.19 1.61 2.12 -1.26 -1.27 118.70 122.36 3i2b s GLU 62 Ca 0.00 1.70 -0.29 0.00 0.36 0.00 0.00 54.97 56.74 3i2b s GLU 62 Cb 0.00 -3.14 -0.02 0.00 0.26 0.00 0.00 34.13 31.24 3i2b s GLU 62 CO 0.00 0.24 1.34 0.42 -0.54 0.00 0.00 175.26 176.72 3i2b s ILE 63 N -1.22 4.14 -0.12 -3.70 1.01 0.14 -4.34 121.20 117.11 3i2b s ILE 63 Ca 0.45 1.35 -0.29 0.00 0.00 0.00 0.00 60.65 62.16 3i2b s ILE 63 Cb -0.30 -3.95 -0.04 0.00 0.01 0.00 0.00 42.46 38.18 3i2b s ILE 63 CO 0.38 -0.21 1.57 -0.62 0.00 0.00 0.00 174.94 176.06 3i2b s ASP 64 N 2.46 6.65 0.53 3.58 -1.08 -0.47 -4.67 116.67 123.66 3i2b s ASP 64 Ca 0.58 1.98 0.28 0.00 -0.52 0.00 0.00 52.55 54.87 3i2b s ASP 64 Cb -0.22 -2.53 1.49 0.00 -1.46 0.00 0.00 42.92 40.20 3i2b s ASP 64 CO 0.19 -0.98 2.09 1.55 0.52 0.00 0.00 175.17 178.54 3i2b h PRO 65 N 9.58 0.00 0.01 4.34 0.13 -1.94 0.67 132.00 144.80 3i2b h PRO 65 Ca -0.35 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.64 3i2b h PRO 65 Cb 1.16 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.30 3i2b h PRO 65 CO 0.97 0.11 -0.55 0.00 -0.23 0.00 0.00 178.00 178.29 3i2b h ALA 66 N 1.89 0.05 0.00 -0.56 0.00 -1.98 -3.39 119.26 115.28 3i2b h ALA 66 Ca -0.00 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.35 3i2b h ALA 66 Cb 0.32 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3i2b h ALA 66 CO 0.01 0.30 -1.79 0.25 0.00 0.00 0.00 179.25 178.03 3i2b n THR 67 N -4.26 0.01 -1.10 0.00 -2.24 -1.00 -4.97 114.28 100.72 3i2b n THR 67 Ca -0.11 -0.41 -0.03 0.00 -2.27 0.00 0.00 64.05 61.24 3i2b n THR 67 Cb 0.66 0.18 -0.01 0.00 -2.10 0.00 0.00 70.33 69.05 3i2b n THR 67 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i2b n GLY 68 N 1.30 0.62 3.27 3.38 0.00 0.23 -5.01 105.19 108.99 3i2b n GLY 68 Ca -0.02 -0.39 -0.24 0.00 0.00 0.00 0.00 46.02 45.36 3i2b n GLY 68 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3i2b s MET 69 N -1.63 1.17 -0.00 1.61 -1.94 -1.24 -4.79 119.30 112.48 3i2b s MET 69 Ca 0.00 -1.08 -0.20 0.00 -1.71 0.00 0.00 55.69 52.70 3i2b s MET 69 Cb 0.00 -1.37 -0.26 0.00 2.01 0.00 0.00 34.83 35.21 3i2b s MET 69 CO 0.00 0.33 1.05 0.28 -0.01 0.00 0.00 175.02 176.67 3i2b h VAL 70 N 4.17 1.43 -3.49 -6.03 2.07 -1.92 -1.24 116.25 111.24 3i2b h VAL 70 Ca -0.45 -2.22 -0.14 0.00 0.82 0.00 0.00 66.70 64.71 3i2b h VAL 70 Cb 1.18 2.74 -0.21 0.00 -1.52 0.00 0.00 31.29 33.48 3i2b h VAL 70 CO 0.41 0.64 -0.48 -0.32 0.02 0.00 0.00 177.57 177.84 3i2b s MET 71 N -3.01 0.49 0.03 1.57 1.75 -1.26 -4.82 119.30 114.05 3i2b s MET 71 Ca -0.13 -0.39 -0.30 0.00 -1.25 0.00 0.00 55.69 53.62 3i2b s MET 71 Cb 0.03 0.20 -0.08 0.00 2.84 0.00 0.00 34.83 37.83 3i2b s MET 71 CO 0.84 -0.12 1.71 1.21 -0.65 0.00 0.00 175.02 178.01 3i2b s ASN 72 N -1.37 6.59 0.35 1.11 3.84 -1.26 -4.89 114.94 119.31 3i2b s ASN 72 Ca -0.15 2.46 0.14 0.00 0.21 0.00 0.00 52.86 55.52 3i2b s ASN 72 Cb -0.07 -2.55 0.64 0.00 -0.55 0.00 0.00 41.25 38.72 3i2b s ASN 72 CO 0.02 -0.93 1.76 -0.07 -2.79 0.00 0.00 177.10 175.08 3i2b h LEU 73 N 9.38 0.00 -1.47 3.21 4.07 -2.00 -1.58 115.31 126.92 3i2b h LEU 73 Ca -0.43 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 57.48 3i2b h LEU 73 Cb 1.20 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.93 3i2b h LEU 73 CO 0.94 0.43 -0.25 0.00 -1.08 0.00 0.00 178.44 178.48 3i2b h ALA 74 N 1.57 1.27 0.02 1.53 0.00 -1.99 -0.72 119.26 120.94 3i2b h ALA 74 Ca -0.00 -0.23 -0.21 0.00 0.00 0.00 0.00 54.91 54.46 3i2b h ALA 74 Cb 0.82 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.59 3i2b h ALA 74 CO 0.06 0.31 -0.85 -0.44 0.00 0.00 0.00 179.25 178.33 3i2b h ASP 75 N 0.00 0.71 -0.43 0.00 3.32 -1.70 -2.61 116.42 115.72 3i2b h ASP 75 Ca -0.00 -0.77 -0.03 0.00 0.02 0.00 0.00 57.03 56.24 3i2b h ASP 75 Cb 0.56 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.87 3i2b h ASP 75 CO 0.03 1.39 0.14 0.25 -1.72 0.00 0.00 179.24 179.34 3i2b h LEU 76 N 0.11 0.62 -0.59 1.55 5.85 -1.27 0.20 115.31 121.78 3i2b h LEU 76 Ca -0.11 -0.20 0.09 0.00 0.84 0.00 0.00 57.88 58.50 3i2b h LEU 76 Cb 1.54 -0.16 -0.07 0.00 0.37 0.00 0.00 40.66 42.34 3i2b h LEU 76 CO 0.17 0.66 0.21 0.50 -0.34 0.00 0.00 178.44 179.63 3i2b h LYS 77 N 0.55 0.38 -0.11 1.25 1.63 -1.19 0.26 116.57 119.35 3i2b h LYS 77 Ca 0.14 -0.02 -0.15 0.00 -0.85 0.00 0.00 60.65 59.76 3i2b h LYS 77 Cb 0.25 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 31.79 3i2b h LYS 77 CO -0.01 0.25 -0.58 0.87 -3.45 0.00 0.00 179.45 176.53 3i2b h LYS 78 N 0.39 0.37 -0.37 1.90 6.56 -1.14 0.48 116.57 124.76 3i2b h LYS 78 Ca 0.29 -0.24 -0.08 0.00 -1.06 0.00 0.00 60.65 59.56 3i2b h LYS 78 Cb 0.36 0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 32.04 3i2b h LYS 78 CO -0.30 0.85 -0.09 1.88 -2.06 0.00 0.00 179.45 179.72 3i2b h TYR 79 N 0.28 0.80 -0.13 -1.35 0.05 0.22 -1.13 116.97 115.70 3i2b h TYR 79 Ca -0.00 -0.17 -0.16 0.00 0.05 0.00 0.00 58.73 58.45 3i2b h TYR 79 Cb 1.10 -0.19 -0.01 0.00 1.01 0.00 0.00 36.73 38.64 3i2b h TYR 79 CO 0.03 0.86 -0.59 0.52 -1.05 0.00 0.00 178.16 177.93 3i2b h MET 80 N 0.50 0.42 -0.75 4.88 2.86 -0.28 0.08 114.93 122.65 3i2b h MET 80 Ca 0.09 -0.28 -0.01 0.00 -2.06 0.00 0.00 59.70 57.44 3i2b h MET 80 Cb 0.60 0.04 -0.04 0.00 0.06 0.00 0.00 31.60 32.27 3i2b h MET 80 CO 0.04 0.89 0.41 1.49 1.06 0.00 0.00 176.91 180.80 3i2b h GLU 81 N 0.31 1.04 0.02 1.72 4.57 0.04 -1.28 114.58 121.01 3i2b h GLU 81 Ca -0.00 -0.12 -0.22 0.00 -1.18 0.00 0.00 59.36 57.83 3i2b h GLU 81 Cb 1.13 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 29.51 3i2b h GLU 81 CO 0.10 0.78 -0.96 1.49 -1.18 0.00 0.00 179.01 179.23 3i2b h GLU 82 N 1.03 0.27 0.00 1.92 4.81 -0.89 -1.26 114.58 120.45 3i2b h GLU 82 Ca 0.26 -0.32 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 3i2b h GLU 82 Cb 0.04 0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.51 3i2b h GLU 82 CO -0.04 1.05 -1.09 0.00 -0.73 0.00 0.00 179.01 178.19 3i2b n ALA 83 N -2.49 2.75 0.07 2.92 0.00 -0.01 -4.46 120.51 119.28 3i2b n ALA 83 Ca -0.05 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.09 3i2b n ALA 83 Cb 0.86 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 19.26 3i2b n ALA 83 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3i2b n ILE 84 N -2.44 0.74 0.05 0.00 5.41 -0.50 -4.80 119.36 117.82 3i2b n ILE 84 Ca 0.00 0.24 -0.13 0.00 1.00 0.00 0.00 62.75 63.87 3i2b n ILE 84 Cb 0.52 -1.24 -0.09 0.00 -0.71 0.00 0.00 39.64 38.12 3i2b n ILE 84 CO 0.00 0.00 0.00 0.24 0.00 0.00 0.00 176.55 176.79 3i2b h MET 85 N 0.00 -0.14 0.02 0.38 2.86 -1.35 -1.38 114.93 115.32 3i2b h MET 85 Ca 0.00 0.01 0.03 0.00 -2.06 0.00 0.00 59.70 57.68 3i2b h MET 85 Cb 0.09 0.03 -0.04 0.00 0.06 0.00 0.00 31.60 31.74 3i2b h MET 85 CO 0.00 0.25 -0.23 1.96 1.06 0.00 0.00 176.91 179.95 3i2b h GLN 86 N -0.56 -0.36 0.00 1.72 4.20 -1.47 -0.66 115.11 117.97 3i2b h GLN 86 Ca -0.01 0.02 -0.12 0.00 0.06 0.00 0.00 58.65 58.60 3i2b h GLN 86 Cb 0.45 0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.30 3i2b h GLN 86 CO 0.02 -0.24 -0.56 -1.00 -0.67 0.00 0.00 178.83 176.39 3i2b h PRO 87 N -0.37 0.00 0.00 1.46 0.13 -1.78 -3.39 132.00 128.04 3i2b h PRO 87 Ca 0.06 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 65.05 3i2b h PRO 87 Cb 0.45 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.55 3i2b h PRO 87 CO -0.20 0.56 -1.67 1.28 -0.23 0.00 0.00 178.00 177.74 3i2b n LEU 88 N -3.46 0.00 -4.72 1.56 4.77 -0.52 -4.85 117.00 109.78 3i2b n LEU 88 Ca 0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.57 3i2b n LEU 88 Cb 0.66 0.19 -0.03 0.00 -2.33 0.00 0.00 43.42 41.90 3i2b n LEU 88 CO 0.40 0.19 0.85 -0.62 -1.33 0.00 0.00 177.39 176.88 3i2b s ASP 89 N -4.02 7.14 -1.33 -1.43 2.15 -0.27 -2.79 116.67 116.11 3i2b s ASP 89 Ca -0.05 2.04 -0.06 0.00 0.43 0.00 0.00 52.55 54.92 3i2b s ASP 89 Cb 0.04 -2.59 0.02 0.00 -0.30 0.00 0.00 42.92 40.09 3i2b s ASP 89 CO 0.45 -0.39 1.02 1.41 -0.17 0.00 0.00 175.17 177.50 3i2b n HIS 90 N 3.36 -2.44 -4.33 -5.34 8.25 0.34 -4.93 115.22 110.14 3i2b n HIS 90 Ca 0.07 0.95 -0.18 0.00 -0.26 0.00 0.00 57.72 58.30 3i2b n HIS 90 Cb 0.46 -4.78 -0.10 0.00 1.12 0.00 0.00 29.99 26.69 3i2b n HIS 90 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 3i2b s LYS 91 N -6.03 1.28 -0.37 -0.41 -0.14 -1.12 -5.01 119.74 107.93 3i2b s LYS 91 Ca 0.34 -1.55 -0.17 0.00 -1.36 0.00 0.00 55.97 53.23 3i2b s LYS 91 Cb -0.16 -1.06 0.00 0.00 -1.68 0.00 0.00 37.83 34.94 3i2b s LYS 91 CO 0.76 0.18 0.43 1.21 -0.76 0.00 0.00 175.35 177.17 3i2b s ASN 92 N -3.22 6.22 0.15 2.83 3.84 -1.26 -1.44 114.94 122.06 3i2b s ASN 92 Ca 0.21 -0.34 -0.16 0.00 0.21 0.00 0.00 52.86 52.78 3i2b s ASN 92 Cb -0.01 -2.23 0.03 0.00 -0.55 0.00 0.00 41.25 38.50 3i2b s ASN 92 CO 0.06 -0.47 1.78 -0.07 -2.79 0.00 0.00 177.10 175.61 3i2b h LEU 93 N 8.96 0.29 -0.75 3.21 3.38 -1.56 0.25 115.31 129.09 3i2b h LEU 93 Ca -0.28 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.66 3i2b h LEU 93 Cb 1.13 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 3i2b h LEU 93 CO 0.75 0.21 -0.18 0.44 0.09 0.00 0.00 178.44 179.75 3i2b h ASP 94 N 0.39 0.00 0.00 -0.43 3.32 -1.86 -2.79 116.42 115.04 3i2b h ASP 94 Ca 0.15 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.05 3i2b h ASP 94 Cb 0.04 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.56 3i2b h ASP 94 CO -0.09 0.18 -1.79 0.23 -1.72 0.00 0.00 179.24 176.04 3i2b n MET 95 N -3.24 1.34 -0.01 3.56 2.81 -1.07 -4.38 117.12 116.14 3i2b n MET 95 Ca 0.01 -0.05 0.09 0.00 -1.81 0.00 0.00 57.70 55.94 3i2b n MET 95 Cb 0.48 -1.33 -0.14 0.00 -0.71 0.00 0.00 33.22 31.52 3i2b n MET 95 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3i2b n ASP 96 N -2.29 0.86 -4.26 7.83 8.00 0.85 -4.84 116.55 122.70 3i2b n ASP 96 Ca -0.14 -0.07 -0.39 0.00 0.71 0.00 0.00 54.79 54.91 3i2b n ASP 96 Cb 0.71 1.77 -0.11 0.00 -0.02 0.00 0.00 41.12 43.47 3i2b n ASP 96 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3i2b s VAL 97 N -3.21 3.92 0.33 2.53 1.01 -1.05 -5.00 120.40 118.92 3i2b s VAL 97 Ca -0.06 -1.33 0.08 0.00 0.00 0.00 0.00 61.98 60.67 3i2b s VAL 97 Cb 0.12 -3.34 0.32 0.00 0.00 0.00 0.00 36.38 33.47 3i2b s VAL 97 CO 0.75 -0.37 1.79 -0.65 0.00 0.00 0.00 175.10 176.62 3i2b h PRO 98 N 8.28 0.67 -0.92 2.72 0.11 -1.88 -0.60 132.00 140.38 3i2b h PRO 98 Ca -0.22 -0.04 0.21 0.00 0.11 0.00 0.00 66.00 66.06 3i2b h PRO 98 Cb 1.08 -0.15 -0.07 0.00 0.11 0.00 0.00 31.00 31.97 3i2b h PRO 98 CO 0.68 0.44 0.61 -0.92 -0.21 0.00 0.00 178.00 178.60 3i2b h TYR 99 N 0.69 0.55 -0.28 0.65 5.03 -1.94 -0.62 116.97 121.05 3i2b h TYR 99 Ca 0.57 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.89 3i2b h TYR 99 Cb 0.98 -0.17 0.00 0.00 1.55 0.00 0.00 36.73 39.09 3i2b h TYR 99 CO -0.00 0.13 0.00 1.19 -1.32 0.00 0.00 178.16 178.16 3i2b n PHE 100 N -4.52 0.37 -0.33 -3.82 3.72 -0.23 -3.73 117.46 108.92 3i2b n PHE 100 Ca 0.20 -0.18 -0.02 0.00 -0.05 0.00 0.00 57.45 57.40 3i2b n PHE 100 Cb 0.73 0.00 0.10 0.00 -0.94 0.00 0.00 39.48 39.37 3i2b n PHE 100 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3i2b h ALA 101 N 3.83 1.14 0.00 4.37 0.00 -1.18 -3.19 119.26 124.23 3i2b h ALA 101 Ca 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3i2b h ALA 101 Cb 0.48 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3i2b h ALA 101 CO 0.00 0.47 -0.21 -0.40 0.00 0.00 0.00 179.25 179.11 3i2b n ASP 102 N -4.50 1.84 -4.01 0.00 5.68 -1.25 -5.00 116.55 109.30 3i2b n ASP 102 Ca 0.10 -3.05 -0.21 0.00 -0.50 0.00 0.00 54.79 51.13 3i2b n ASP 102 Cb 0.05 -0.41 -0.16 0.00 -1.14 0.00 0.00 41.12 39.46 3i2b n ASP 102 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 3i2b s VAL 103 N -2.42 0.88 0.21 2.12 1.01 -1.21 -4.97 120.40 116.01 3i2b s VAL 103 Ca 0.29 -0.40 -0.30 0.00 0.00 0.00 0.00 61.98 61.57 3i2b s VAL 103 Cb 0.26 -0.79 -0.09 0.00 0.00 0.00 0.00 36.38 35.76 3i2b s VAL 103 CO -0.00 0.28 1.39 -0.69 0.00 0.00 0.00 175.10 176.08 3i2b s VAL 104 N 0.30 2.95 -0.26 2.92 1.01 -1.26 -4.64 120.40 121.43 3i2b s VAL 104 Ca -0.05 0.77 -0.02 0.00 0.00 0.00 0.00 61.98 62.67 3i2b s VAL 104 Cb -0.10 -3.49 0.08 0.00 0.00 0.00 0.00 36.38 32.86 3i2b s VAL 104 CO 0.01 0.11 2.41 -1.54 0.00 0.00 0.00 175.10 176.09 3i2b n SER 105 N 2.78 6.12 -4.74 3.32 3.41 -1.26 -4.66 113.62 118.59 3i2b n SER 105 Ca 0.08 -2.91 -0.32 0.00 -0.26 0.00 0.00 58.87 55.45 3i2b n SER 105 Cb 0.41 -1.16 0.10 0.00 -0.26 0.00 0.00 64.21 63.30 3i2b n SER 105 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3i2b s THR 106 N -1.46 2.79 0.41 6.66 -4.23 -1.26 -4.80 115.64 113.75 3i2b s THR 106 Ca 0.37 0.32 0.09 0.00 -1.18 0.00 0.00 61.69 61.29 3i2b s THR 106 Cb 0.25 -2.73 0.29 0.00 1.34 0.00 0.00 72.50 71.65 3i2b s THR 106 CO -0.06 -0.28 2.02 0.74 -0.54 0.00 0.00 174.62 176.50 3i2b h THR 107 N -0.80 1.03 -0.49 3.99 2.02 -1.99 -0.74 112.91 115.93 3i2b h THR 107 Ca -0.45 -0.19 0.07 0.00 0.77 0.00 0.00 66.41 66.62 3i2b h THR 107 Cb 1.26 0.44 -0.06 0.00 -1.74 0.00 0.00 68.15 68.05 3i2b h THR 107 CO 0.49 0.10 0.14 -0.33 0.37 0.00 0.00 175.52 176.29 3i2b h GLU 108 N 0.54 0.28 0.00 6.66 3.07 -1.95 -1.36 114.58 121.82 3i2b h GLU 108 Ca 0.21 -0.02 -0.10 0.00 -0.50 0.00 0.00 59.36 58.95 3i2b h GLU 108 Cb 0.15 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 27.99 3i2b h GLU 108 CO -0.05 0.19 -0.47 -0.91 -1.40 0.00 0.00 179.01 176.36 3i2b h ASN 109 N 0.29 0.00 -0.42 1.42 2.35 -1.46 -2.29 115.58 115.47 3i2b h ASN 109 Ca 0.24 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.89 3i2b h ASN 109 Cb 0.29 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.65 3i2b h ASN 109 CO -0.28 0.47 -0.12 0.58 -1.65 0.00 0.00 177.43 176.43 3i2b h VAL 110 N 0.00 1.27 -0.59 2.81 2.07 -0.89 -0.63 116.25 120.29 3i2b h VAL 110 Ca -0.00 -1.23 -0.08 0.00 0.82 0.00 0.00 66.70 66.21 3i2b h VAL 110 Cb 1.11 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 32.06 3i2b h VAL 110 CO 0.06 0.42 0.07 0.00 0.02 0.00 0.00 177.57 178.14 3i2b h ALA 111 N 0.85 1.01 -0.46 1.67 0.00 -0.99 -1.10 119.26 120.24 3i2b h ALA 111 Ca 0.10 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 3i2b h ALA 111 Cb 0.66 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3i2b h ALA 111 CO 0.05 0.62 -0.08 0.28 0.00 0.00 0.00 179.25 180.12 3i2b h VAL 112 N 0.91 1.27 -0.23 0.00 2.07 -1.35 -1.00 116.25 117.92 3i2b h VAL 112 Ca 0.18 -1.19 0.01 0.00 0.82 0.00 0.00 66.70 66.52 3i2b h VAL 112 Cb 0.44 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 3i2b h VAL 112 CO 0.01 0.41 0.12 0.22 0.02 0.00 0.00 177.57 178.35 3i2b h TYR 113 N 0.70 0.23 -0.30 1.57 3.20 -0.75 -0.59 116.97 121.02 3i2b h TYR 113 Ca 0.12 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.00 3i2b h TYR 113 Cb 0.62 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.80 3i2b h TYR 113 CO 0.05 0.13 0.18 0.82 -1.64 0.00 0.00 178.16 177.70 3i2b h ILE 114 N 0.26 1.10 -0.23 1.81 2.04 -1.11 0.03 117.51 121.41 3i2b h ILE 114 Ca 0.09 -0.24 0.06 0.00 1.00 0.00 0.00 64.86 65.77 3i2b h ILE 114 Cb 0.01 0.72 -0.06 0.00 -0.74 0.00 0.00 36.82 36.76 3i2b h ILE 114 CO -0.06 0.10 -0.15 -0.25 0.00 0.00 0.00 178.15 177.80 3i2b h TRP 115 N 0.39 -0.37 -0.71 1.37 2.91 -0.97 -0.97 115.95 117.60 3i2b h TRP 115 Ca 0.11 0.03 -0.05 0.00 1.13 0.00 0.00 58.89 60.11 3i2b h TRP 115 Cb 0.01 0.20 -0.03 0.00 -0.51 0.00 0.00 29.16 28.83 3i2b h TRP 115 CO -0.04 -0.22 0.25 -0.44 -1.03 0.00 0.00 178.44 176.96 3i2b h ASP 116 N -0.14 1.00 -0.80 2.65 3.32 -0.71 0.60 116.42 122.34 3i2b h ASP 116 Ca 0.13 -0.19 0.03 0.00 0.02 0.00 0.00 57.03 57.01 3i2b h ASP 116 Cb 0.33 -0.26 -0.05 0.00 0.22 0.00 0.00 39.33 39.57 3i2b h ASP 116 CO -0.31 0.92 0.51 0.78 -1.72 0.00 0.00 179.24 179.42 3i2b h ASN 117 N 1.02 0.86 -0.43 6.45 4.21 -0.54 -2.75 115.58 124.41 3i2b h ASN 117 Ca 0.23 -0.01 -0.15 0.00 1.21 0.00 0.00 56.30 57.59 3i2b h ASN 117 Cb 0.26 -0.20 -0.01 0.00 -1.12 0.00 0.00 38.32 37.25 3i2b h ASN 117 CO -0.01 0.60 -0.30 -0.07 -1.29 0.00 0.00 177.43 176.35 3i2b h LEU 118 N 1.01 1.00 -2.19 1.61 3.38 -0.58 -2.98 115.31 116.57 3i2b h LEU 118 Ca 0.31 -0.43 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 3i2b h LEU 118 Cb -0.02 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.44 3i2b h LEU 118 CO -0.10 1.22 -0.03 1.56 0.09 0.00 0.00 178.44 181.18 3i2b h GLN 119 N 0.79 0.00 -0.25 1.13 1.08 -0.78 0.11 115.11 117.19 3i2b h GLN 119 Ca 0.08 0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 57.16 3i2b h GLN 119 Cb 0.89 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.31 3i2b h GLN 119 CO 0.08 0.03 -0.37 0.87 -0.95 0.00 0.00 178.83 178.50 3i2b h LYS 120 N 0.00 0.56 0.00 1.46 1.57 -1.33 -3.37 116.57 115.46 3i2b h LYS 120 Ca -0.00 -0.27 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 3i2b h LYS 120 Cb 0.26 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.57 3i2b h LYS 120 CO 0.00 0.84 -1.17 1.33 -0.57 0.00 0.00 179.45 179.89 3i2b n VAL 121 N -4.05 0.00 -2.35 0.50 0.24 -1.03 -5.02 118.33 106.62 3i2b n VAL 121 Ca -0.01 -0.22 -0.32 0.00 -2.04 0.00 0.00 64.34 61.74 3i2b n VAL 121 Cb 0.49 0.46 -0.03 0.00 -1.47 0.00 0.00 33.84 33.29 3i2b n VAL 121 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3i2b s LEU 122 N -3.33 3.59 0.64 1.34 1.43 0.34 -5.02 118.68 117.66 3i2b s LEU 122 Ca -0.02 1.56 -0.16 0.00 -1.03 0.00 0.00 54.13 54.48 3i2b s LEU 122 Cb 0.06 -4.51 -0.01 0.00 0.03 0.00 0.00 46.19 41.76 3i2b s LEU 122 CO 0.36 -0.61 1.13 -2.84 0.23 0.00 0.00 176.35 174.62 3i2b s PRO 123 N -4.17 2.85 0.24 1.29 0.02 -1.26 -4.87 135.00 129.11 3i2b s PRO 123 Ca 0.59 1.51 -0.31 0.00 0.02 0.00 0.00 61.00 62.80 3i2b s PRO 123 Cb -0.10 -1.95 -0.11 0.00 0.02 0.00 0.00 34.50 32.36 3i2b s PRO 123 CO 0.33 -1.23 1.58 0.08 -0.33 0.00 0.00 177.00 177.44 3i2b s VAL 124 N -2.13 2.29 0.00 3.83 1.01 -1.26 -3.25 120.40 120.89 3i2b s VAL 124 Ca 0.70 0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.91 3i2b s VAL 124 Cb -0.23 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 33.01 3i2b s VAL 124 CO 0.38 0.03 0.00 0.61 0.00 0.00 0.00 175.10 176.12 3i2b n GLY 125 N 2.86 0.76 0.19 4.51 0.00 -1.26 -4.94 105.19 107.30 3i2b n GLY 125 Ca 0.11 -0.11 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 3i2b n GLY 125 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3i2b n VAL 126 N -2.47 1.01 -2.15 1.61 0.31 -1.20 -4.80 118.33 110.64 3i2b n VAL 126 Ca 0.00 -0.35 -0.42 0.00 -0.01 0.00 0.00 64.34 63.56 3i2b n VAL 126 Cb 0.00 -1.31 -0.03 0.00 -0.91 0.00 0.00 33.84 31.59 3i2b n VAL 126 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 3i2b s LEU 127 N -6.32 4.31 -0.14 7.52 2.96 -1.26 -1.01 118.68 124.74 3i2b s LEU 127 Ca -0.24 2.16 -0.02 0.00 -0.22 0.00 0.00 54.13 55.81 3i2b s LEU 127 Cb 0.07 -3.55 -0.08 0.00 0.50 0.00 0.00 46.19 43.13 3i2b s LEU 127 CO 0.38 -0.79 -0.15 0.00 -1.32 0.00 0.00 176.35 174.47 3i2b n TYR 128 N 5.85 0.00 -3.67 5.38 9.36 -0.01 -4.89 117.16 129.18 3i2b n TYR 128 Ca 0.14 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 61.23 3i2b n TYR 128 Cb 0.43 -0.53 -0.08 0.00 -0.63 0.00 0.00 39.34 38.53 3i2b n TYR 128 CO 0.00 0.00 0.00 0.21 0.22 0.00 0.00 176.86 177.29 3i2b s LYS 129 N -2.27 0.69 -0.14 2.98 2.20 -0.77 -4.67 119.74 117.76 3i2b s LYS 129 Ca -0.19 0.84 0.02 0.00 -0.36 0.00 0.00 55.97 56.27 3i2b s LYS 129 Cb 0.06 0.33 0.01 0.00 -1.51 0.00 0.00 37.83 36.72 3i2b s LYS 129 CO 0.30 -0.09 -0.20 0.08 -0.36 0.00 0.00 175.35 175.08 3i2b s VAL 130 N 0.37 1.94 -0.14 4.02 1.01 -0.52 -0.79 120.40 126.28 3i2b s VAL 130 Ca -0.00 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 61.10 3i2b s VAL 130 Cb -0.04 -1.73 0.01 0.00 0.00 0.00 0.00 36.38 34.61 3i2b s VAL 130 CO -0.00 0.53 -0.20 -0.75 0.00 0.00 0.00 175.10 174.67 3i2b s LYS 131 N 0.95 3.08 -0.13 2.72 2.20 -0.10 -0.91 119.74 127.54 3i2b s LYS 131 Ca -0.05 -0.83 0.03 0.00 -0.36 0.00 0.00 55.97 54.76 3i2b s LYS 131 Cb -0.15 -2.47 0.01 0.00 -1.51 0.00 0.00 37.83 33.71 3i2b s LYS 131 CO -0.04 0.02 -0.22 0.08 -0.36 0.00 0.00 175.35 174.82 3i2b s VAL 132 N 0.76 2.06 -0.44 4.02 1.01 0.71 -0.57 120.40 127.95 3i2b s VAL 132 Ca -0.08 -0.99 -0.16 0.00 0.00 0.00 0.00 61.98 60.75 3i2b s VAL 132 Cb -0.16 -1.81 0.04 0.00 0.00 0.00 0.00 36.38 34.45 3i2b s VAL 132 CO -0.00 0.55 0.40 -0.31 0.00 0.00 0.00 175.10 175.73 3i2b s TYR 133 N 0.73 3.20 0.19 5.22 1.51 0.67 -0.84 117.35 128.04 3i2b s TYR 133 Ca -0.09 -0.63 -0.05 0.00 -1.01 0.00 0.00 57.07 55.29 3i2b s TYR 133 Cb -0.16 -2.93 0.11 0.00 -0.11 0.00 0.00 41.96 38.87 3i2b s TYR 133 CO 0.00 -0.72 1.53 1.49 -1.11 0.00 0.00 175.55 176.74 3i2b h GLU 134 N 8.73 0.67 -4.47 -0.62 4.81 -1.62 -1.73 114.58 120.35 3i2b h GLU 134 Ca -0.27 -0.36 -0.33 0.00 -0.13 0.00 0.00 59.36 58.26 3i2b h GLU 134 Cb 1.11 0.02 -0.11 0.00 0.63 0.00 0.00 28.75 30.40 3i2b h GLU 134 CO 0.81 0.98 -0.37 0.95 -0.73 0.00 0.00 179.01 180.65 3i2b s THR 135 N -4.21 0.00 0.54 0.32 -4.23 -1.23 -4.59 115.64 102.24 3i2b s THR 135 Ca -0.08 -1.80 0.27 0.00 -1.18 0.00 0.00 61.69 58.89 3i2b s THR 135 Cb 0.12 -2.54 0.41 0.00 1.34 0.00 0.00 72.50 71.83 3i2b s THR 135 CO 0.84 0.00 1.97 0.44 -0.54 0.00 0.00 174.62 177.34 3i2b h ASP 136 N 2.20 0.00 -0.01 3.99 3.32 -1.93 -3.06 116.42 120.93 3i2b h ASP 136 Ca -0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.77 3i2b h ASP 136 Cb 1.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.79 3i2b h ASP 136 CO 0.40 0.00 -0.02 0.59 -1.72 0.00 0.00 179.24 178.49 3i2b n ASN 137 N -4.29 1.94 -3.89 6.45 3.02 -1.26 -4.90 115.26 112.33 3i2b n ASN 137 Ca 0.11 -1.47 -0.29 0.00 -0.03 0.00 0.00 54.58 52.90 3i2b n ASN 137 Cb 0.67 0.04 -0.16 0.00 -0.61 0.00 0.00 39.78 39.72 3i2b n ASN 137 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 3i2b s ASN 138 N -1.05 3.16 -0.01 6.41 0.01 -1.16 -5.10 114.94 117.20 3i2b s ASN 138 Ca 0.14 -0.84 0.03 0.00 -0.71 0.00 0.00 52.86 51.48 3i2b s ASN 138 Cb 0.10 -0.97 -0.01 0.00 0.41 0.00 0.00 41.25 40.78 3i2b s ASN 138 CO 0.16 -0.21 -0.11 -0.63 -1.51 0.00 0.00 177.10 174.81 3i2b s ILE 139 N 1.58 0.84 -0.02 0.60 1.01 -1.26 -1.74 121.20 122.20 3i2b s ILE 139 Ca -0.01 -0.45 0.07 0.00 0.00 0.00 0.00 60.65 60.26 3i2b s ILE 139 Cb -0.16 -0.70 -0.02 0.00 0.01 0.00 0.00 42.46 41.59 3i2b s ILE 139 CO -0.07 0.24 -0.24 -0.69 0.00 0.00 0.00 174.94 174.17 3i2b s VAL 140 N -0.24 1.91 -0.10 2.92 1.01 -0.02 -4.99 120.40 120.89 3i2b s VAL 140 Ca 0.04 -1.03 0.04 0.00 0.00 0.00 0.00 61.98 61.03 3i2b s VAL 140 Cb -0.04 -1.59 0.00 0.00 0.00 0.00 0.00 36.38 34.75 3i2b s VAL 140 CO -0.00 0.54 -0.23 -0.69 0.00 0.00 0.00 175.10 174.72 3i2b s VAL 141 N -0.52 1.96 -0.06 2.92 1.01 -1.26 -0.21 120.40 124.24 3i2b s VAL 141 Ca 0.08 -0.96 0.04 0.00 0.00 0.00 0.00 61.98 61.14 3i2b s VAL 141 Cb -0.10 -1.71 0.00 0.00 0.00 0.00 0.00 36.38 34.58 3i2b s VAL 141 CO -0.00 0.54 -0.18 -0.47 0.00 0.00 0.00 175.10 174.99 3i2b s TYR 142 N 0.44 1.85 -0.17 5.22 5.04 -0.09 -5.00 117.35 124.64 3i2b s TYR 142 Ca -0.17 -0.62 0.14 0.00 -2.44 0.00 0.00 57.07 53.98 3i2b s TYR 142 Cb -0.17 -1.27 0.43 0.00 0.35 0.00 0.00 41.96 41.30 3i2b s TYR 142 CO 0.07 -0.24 1.20 1.63 -1.34 0.00 0.00 175.55 176.87 3i2b n LYS 143 N 3.37 1.45 -0.97 4.97 5.02 -1.26 -1.44 118.16 129.30 3i2b n LYS 143 Ca -0.19 -3.12 0.00 0.00 -2.02 0.00 0.00 58.31 52.98 3i2b n LYS 143 Cb 0.53 -1.33 0.00 0.00 -0.02 0.00 0.00 35.03 34.20 3i2b n LYS 143 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i2b n GLY 144 N -0.71 0.22 0.43 0.72 0.00 -1.26 -4.95 105.19 99.64 3i2b n GLY 144 Ca 0.18 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.34 3i2b n GLY 144 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50