#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 1.14 -0.13 -0.14 0.52 -1.26 -5.13 118.95 113.95 3i2b s ARG 9 Ca 0.00 -1.46 -0.01 0.00 -0.52 0.00 0.00 55.73 53.74 3i2b s ARG 9 Cb 0.00 -0.82 -0.02 0.00 0.52 0.00 0.00 34.95 34.63 3i2b s ARG 9 CO 0.00 0.12 -0.09 0.00 0.02 0.00 0.00 175.30 175.36 3i2b s GLN 11 N 0.14 3.79 0.13 0.00 -0.21 -1.26 -0.31 119.66 121.94 3i2b s GLN 11 Ca -0.04 0.22 -0.13 0.00 0.02 0.00 0.00 55.36 55.43 3i2b s GLN 11 Cb -0.14 -2.90 0.02 0.00 1.00 0.00 0.00 33.01 30.99 3i2b s GLN 11 CO 0.04 0.48 0.34 0.00 -2.12 0.00 0.00 175.29 174.03 3i2b s ALA 12 N -1.53 -0.60 -0.12 6.09 0.00 -0.40 -4.92 121.76 120.28 3i2b s ALA 12 Ca 0.38 -0.34 -0.01 0.00 0.00 0.00 0.00 51.96 51.99 3i2b s ALA 12 Cb -0.13 0.67 -0.02 0.00 0.00 0.00 0.00 23.12 23.64 3i2b s ALA 12 CO 0.20 -0.62 -0.10 -0.65 0.00 0.00 0.00 175.76 174.59 3i2b s GLN 13 N -3.85 3.31 -0.07 0.00 -0.21 -1.26 -2.42 119.66 115.16 3i2b s GLN 13 Ca 0.06 -0.63 0.04 0.00 0.02 0.00 0.00 55.36 54.85 3i2b s GLN 13 Cb 0.03 -2.67 0.00 0.00 1.00 0.00 0.00 33.01 31.36 3i2b s GLN 13 CO -0.09 0.31 -0.18 0.08 -2.12 0.00 0.00 175.29 173.28 3i2b s VAL 14 N 0.13 1.58 0.05 1.09 1.01 -0.39 -4.97 120.40 118.90 3i2b s VAL 14 Ca -0.05 -0.76 0.07 0.00 0.00 0.00 0.00 61.98 61.24 3i2b s VAL 14 Cb -0.14 -1.37 -0.03 0.00 0.00 0.00 0.00 36.38 34.84 3i2b s VAL 14 CO 0.04 0.45 -0.19 -0.44 0.00 0.00 0.00 175.10 174.96 3i2b s SER 15 N 0.28 2.24 -0.03 3.32 0.01 -1.26 -0.41 113.70 117.86 3i2b s SER 15 Ca -0.11 -0.54 0.04 0.00 1.31 0.00 0.00 55.95 56.65 3i2b s SER 15 Cb -0.15 -0.16 -0.00 0.00 0.21 0.00 0.00 66.02 65.92 3i2b s SER 15 CO 0.05 0.10 -0.13 0.00 0.41 0.00 0.00 173.24 173.66 3i2b s ARG 16 N -1.31 1.32 -0.11 12.44 1.70 -0.72 -4.98 118.95 127.28 3i2b s ARG 16 Ca 0.05 -0.47 -0.02 0.00 -0.47 0.00 0.00 55.73 54.82 3i2b s ARG 16 Cb -0.09 -1.21 -0.03 0.00 -0.57 0.00 0.00 34.95 33.06 3i2b s ARG 16 CO 0.02 0.21 -0.03 0.50 -1.08 0.00 0.00 175.30 174.93 3i2b s ARG 17 N -0.01 3.24 0.19 3.89 3.52 -1.26 -1.47 118.95 127.05 3i2b s ARG 17 Ca -0.01 -0.48 -0.00 0.00 -0.13 0.00 0.00 55.73 55.10 3i2b s ARG 17 Cb -0.09 -2.81 -0.04 0.00 -1.56 0.00 0.00 34.95 30.45 3i2b s ARG 17 CO 0.01 0.49 0.09 0.96 -0.81 0.00 0.00 175.30 176.05 3i2b s ILE 18 N -0.32 0.17 0.14 4.11 -4.36 -0.14 -4.99 121.20 115.82 3i2b s ILE 18 Ca 0.06 -1.97 0.06 0.00 -0.26 0.00 0.00 60.65 58.53 3i2b s ILE 18 Cb -0.12 -2.36 -0.04 0.00 1.25 0.00 0.00 42.46 41.19 3i2b s ILE 18 CO 0.02 -0.17 -0.12 -0.94 0.24 0.00 0.00 174.94 173.97 3i2b s SER 19 N -3.15 1.99 0.03 4.36 1.04 -1.26 -0.27 113.70 116.43 3i2b s SER 19 Ca 0.33 -0.92 -0.06 0.00 0.48 0.00 0.00 55.95 55.78 3i2b s SER 19 Cb 0.07 -0.05 -0.01 0.00 0.10 0.00 0.00 66.02 66.13 3i2b s SER 19 CO 0.09 -0.23 0.10 0.72 0.98 0.00 0.00 173.24 174.90 3i2b s PHE 20 N -2.76 0.16 -0.16 5.02 -0.71 -0.40 -5.00 117.98 114.13 3i2b s PHE 20 Ca 0.14 -0.40 -0.07 0.00 -1.04 0.00 0.00 56.93 55.56 3i2b s PHE 20 Cb -0.01 -0.12 -0.04 0.00 -1.21 0.00 0.00 43.02 41.64 3i2b s PHE 20 CO 0.03 -0.34 0.09 -1.12 -1.34 0.00 0.00 175.22 172.54 3i2b s SER 21 N -1.89 5.90 0.04 1.98 0.01 -1.26 -0.23 113.70 118.25 3i2b s SER 21 Ca -0.08 0.21 -0.19 0.00 1.31 0.00 0.00 55.95 57.20 3i2b s SER 21 Cb -0.03 -1.96 0.04 0.00 0.21 0.00 0.00 66.02 64.27 3i2b s SER 21 CO -0.03 0.25 0.43 0.00 0.41 0.00 0.00 173.24 174.31 3i2b s ALA 22 N -0.09 -1.07 0.23 1.44 0.00 -0.94 0.95 121.76 122.28 3i2b s ALA 22 Ca 0.08 0.38 0.08 0.00 0.00 0.00 0.00 51.96 52.50 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 0.01 -0.45 0.04 -1.54 0.00 0.00 0.00 175.76 173.81 3i2b s SER 23 N -1.96 4.85 0.26 0.00 1.04 -0.56 -1.18 113.70 116.15 3i2b s SER 23 Ca -0.06 -0.46 -0.21 0.00 0.48 0.00 0.00 55.95 55.70 3i2b s SER 23 Cb -0.01 -1.03 0.04 0.00 0.10 0.00 0.00 66.02 65.12 3i2b s SER 23 CO -0.02 0.03 0.81 -1.38 0.98 0.00 0.00 173.24 173.66 3i2b s HIS 24 N -2.06 -0.10 -0.02 5.02 -0.00 -0.28 -0.86 115.29 116.99 3i2b s HIS 24 Ca 0.30 -0.36 0.00 0.00 -0.00 0.00 0.00 55.06 55.01 3i2b s HIS 24 Cb -0.08 0.72 0.02 0.00 -0.00 0.00 0.00 32.58 33.24 3i2b s HIS 24 CO 0.20 -1.19 0.01 0.50 -0.00 0.00 0.00 174.74 174.27 3i2b s ARG 25 N -3.38 0.16 -0.27 -0.38 3.52 -1.26 -1.64 118.95 115.71 3i2b s ARG 25 Ca 0.13 0.08 -0.23 0.00 -0.13 0.00 0.00 55.73 55.58 3i2b s ARG 25 Cb -0.05 -0.34 -0.01 0.00 -1.56 0.00 0.00 34.95 33.00 3i2b s ARG 25 CO 0.07 -0.11 0.74 -0.51 -0.81 0.00 0.00 175.30 174.68 3i2b s LEU 26 N 0.81 4.08 -0.19 -0.88 1.43 -0.73 -4.59 118.68 118.62 3i2b s LEU 26 Ca -0.08 0.78 -0.28 0.00 -1.03 0.00 0.00 54.13 53.52 3i2b s LEU 26 Cb -0.11 -3.02 0.10 0.00 0.03 0.00 0.00 46.19 43.19 3i2b s LEU 26 CO -0.02 -0.50 0.86 -0.72 0.23 0.00 0.00 176.35 176.20 3i2b s TYR 27 N 2.75 -0.57 -0.12 0.29 -0.85 -1.26 -4.10 117.35 113.49 3i2b s TYR 27 Ca 0.31 1.20 -0.01 0.00 -0.52 0.00 0.00 57.07 58.05 3i2b s TYR 27 Cb -0.15 0.37 -0.02 0.00 0.38 0.00 0.00 41.96 42.54 3i2b s TYR 27 CO 0.09 -0.39 -0.09 0.45 -1.52 0.00 0.00 175.55 174.09 3i2b s SER 28 N -0.44 4.41 0.40 -0.18 0.15 -1.26 -4.59 113.70 112.18 3i2b s SER 28 Ca -0.03 -0.19 0.29 0.00 0.70 0.00 0.00 55.95 56.72 3i2b s SER 28 Cb -0.03 -1.52 1.22 0.00 -1.71 0.00 0.00 66.02 63.98 3i2b s SER 28 CO 0.02 0.22 1.85 0.07 1.20 0.00 0.00 173.24 176.60 3i2b h LYS 29 N 6.31 0.00 0.00 5.44 -0.00 -1.95 -2.78 116.57 123.60 3i2b h LYS 29 Ca -0.34 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.31 3i2b h LYS 29 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.42 3i2b h LYS 29 CO 0.57 0.00 0.00 0.27 -0.00 0.00 0.00 179.45 180.29 3i2b h PHE 30 N 0.00 0.00 -2.47 0.07 -0.00 -2.00 -3.47 116.94 109.06 3i2b h PHE 30 Ca 0.00 0.00 -0.53 0.00 -0.00 0.00 0.00 57.97 57.44 3i2b h PHE 30 Cb 0.39 0.00 -0.05 0.00 -0.00 0.00 0.00 35.95 36.29 3i2b h PHE 30 CO 0.00 0.00 -0.52 -0.51 -0.00 0.00 0.00 178.31 177.28 3i2b s LEU 31 N -5.49 3.95 0.91 2.10 1.43 -1.05 -5.11 118.68 115.42 3i2b s LEU 31 Ca 0.08 -0.09 -0.12 0.00 -1.03 0.00 0.00 54.13 52.97 3i2b s LEU 31 Cb 0.08 -2.52 0.14 0.00 0.03 0.00 0.00 46.19 43.91 3i2b s LEU 31 CO 0.64 0.02 1.09 -0.94 0.23 0.00 0.00 176.35 177.39 3i2b s SER 32 N -3.44 3.33 0.27 2.29 1.04 -1.26 -4.81 113.70 111.12 3i2b s SER 32 Ca 0.32 1.48 -0.03 0.00 0.48 0.00 0.00 55.95 58.20 3i2b s SER 32 Cb -0.09 -2.16 0.36 0.00 0.10 0.00 0.00 66.02 64.23 3i2b s SER 32 CO 0.25 -2.73 1.89 0.44 0.98 0.00 0.00 173.24 174.08 3i2b h ASP 33 N -1.61 0.95 -0.25 7.02 3.32 -1.99 -0.85 116.42 123.01 3i2b h ASP 33 Ca -0.50 -0.09 -0.19 0.00 0.02 0.00 0.00 57.03 56.28 3i2b h ASP 33 Cb 1.29 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.60 3i2b h ASP 33 CO 0.54 0.78 -0.58 -0.33 -1.72 0.00 0.00 179.24 177.93 3i2b h GLU 34 N 1.06 0.83 -0.32 3.56 3.07 -2.00 -2.54 114.58 118.23 3i2b h GLU 34 Ca 0.26 -0.56 -0.01 0.00 -0.50 0.00 0.00 59.36 58.56 3i2b h GLU 34 Cb 0.06 0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.03 3i2b h GLU 34 CO -0.04 1.19 0.17 0.93 -1.40 0.00 0.00 179.01 179.86 3i2b h GLU 35 N 0.59 0.45 -0.82 2.33 5.08 -1.88 -1.63 114.58 118.70 3i2b h GLU 35 Ca -0.00 -0.06 0.03 0.00 -1.00 0.00 0.00 59.36 58.33 3i2b h GLU 35 Cb 1.19 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 30.31 3i2b h GLU 35 CO 0.13 0.40 0.54 -0.91 -1.00 0.00 0.00 179.01 178.16 3i2b h ASN 36 N 0.39 0.90 -0.23 1.42 2.35 -1.08 -0.83 115.58 118.50 3i2b h ASN 36 Ca 0.11 -0.01 -0.06 0.00 -0.55 0.00 0.00 56.30 55.79 3i2b h ASN 36 Cb 0.08 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 3i2b h ASN 36 CO -0.02 0.63 -0.07 0.25 -1.65 0.00 0.00 177.43 176.57 3i2b h LEU 37 N 1.05 0.47 -0.76 1.61 5.85 -1.29 -1.31 115.31 120.92 3i2b h LEU 37 Ca 0.32 -0.38 0.00 0.00 0.84 0.00 0.00 57.88 58.66 3i2b h LEU 37 Cb -0.01 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 40.85 3i2b h LEU 37 CO -0.09 0.74 0.48 0.11 -0.34 0.00 0.00 178.44 179.34 3i2b h LYS 38 N 0.19 1.03 0.06 1.25 6.56 -0.65 0.66 116.57 125.66 3i2b h LYS 38 Ca 0.06 -0.08 -0.13 0.00 -1.06 0.00 0.00 60.65 59.43 3i2b h LYS 38 Cb 0.55 -0.22 0.01 0.00 -0.57 0.00 0.00 32.23 32.00 3i2b h LYS 38 CO 0.03 0.71 -0.56 1.25 -2.06 0.00 0.00 179.45 178.82 3i2b h LEU 39 N 1.04 0.39 -0.02 2.94 5.85 -1.18 -3.37 115.31 120.95 3i2b h LEU 39 Ca 0.28 -0.87 0.00 0.00 0.84 0.00 0.00 57.88 58.13 3i2b h LEU 39 Cb -0.07 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 40.84 3i2b h LEU 39 CO -0.05 1.22 -0.94 0.49 -0.34 0.00 0.00 178.44 178.82 3i2b n PHE 40 N -4.28 0.00 -0.04 1.25 3.72 -0.50 -5.05 117.46 112.58 3i2b n PHE 40 Ca -0.12 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.28 3i2b n PHE 40 Cb 0.68 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.22 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 1.47 3.09 0.26 1.37 0.00 0.22 -1.68 105.19 109.93 3i2b n GLY 41 Ca 0.04 -0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.97 -0.07 116.57 118.24 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 0.10 0.00 0.00 -2.00 0.00 0.00 179.45 177.55 3i2b n ASN 44 N -2.43 1.03 -4.68 0.00 2.85 -0.04 -1.78 115.26 110.22 3i2b n ASN 44 Ca 0.00 -1.45 -0.65 0.00 -0.11 0.00 0.00 54.58 52.38 3i2b n ASN 44 Cb 0.17 -0.03 -0.09 0.00 1.24 0.00 0.00 39.78 41.06 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 -0.16 0.98 -0.30 1.20 5.15 -0.65 -4.81 115.26 116.67 3i2b n ASN 45 Ca 0.18 1.17 0.11 0.00 -0.60 0.00 0.00 54.58 55.45 3i2b n ASN 45 Cb 0.26 -0.92 0.34 0.00 -0.53 0.00 0.00 39.78 38.94 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 4.61 0.74 -0.30 1.20 0.11 -1.93 -0.80 132.00 135.63 3i2b h PRO 46 Ca -0.46 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3i2b h PRO 46 Cb 1.38 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3i2b h PRO 46 CO 0.89 0.49 0.00 0.09 -0.21 0.00 0.00 178.00 179.25 3i2b n ASN 47 N -4.60 2.07 0.00 -2.05 3.02 -1.26 -5.03 115.26 107.40 3i2b n ASN 47 Ca 0.19 -1.87 0.00 0.00 -0.03 0.00 0.00 54.58 52.87 3i2b n ASN 47 Cb 0.47 -0.20 0.00 0.00 -0.61 0.00 0.00 39.78 39.44 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 1.17 -0.36 1.55 7.41 0.00 -0.31 -5.02 105.19 109.64 3i2b n GLY 48 Ca 0.15 -1.84 -0.06 0.00 0.00 0.00 0.00 46.02 44.27 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 -0.44 -1.11 -3.98 1.61 1.44 -0.65 -4.86 115.22 107.23 3i2b n HIS 49 Ca 0.00 -0.98 -0.11 0.00 -2.01 0.00 0.00 57.72 54.62 3i2b n HIS 49 Cb 0.00 0.30 -0.03 0.00 0.12 0.00 0.00 29.99 30.37 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 -1.95 0.75 0.01 -1.39 0.00 -1.26 -1.13 107.32 102.34 3i2b s GLY 50 Ca 0.11 -1.01 -0.10 0.00 0.00 0.00 0.00 44.72 43.73 3i2b s GLY 50 CO 0.08 -0.65 0.19 0.30 0.00 0.00 0.00 173.10 173.02 3i2b s HIS 51 N -3.43 -0.00 -0.78 1.90 3.76 -0.33 -5.00 115.29 111.41 3i2b s HIS 51 Ca 0.23 -0.09 -0.20 0.00 -0.15 0.00 0.00 55.06 54.85 3i2b s HIS 51 Cb -0.02 -0.01 0.11 0.00 1.11 0.00 0.00 32.58 33.77 3i2b s HIS 51 CO 0.13 -0.35 1.00 -0.80 -0.85 0.00 0.00 174.74 173.86 3i2b s ASN 52 N -1.57 6.39 0.33 1.40 0.01 -1.26 -2.21 114.94 118.04 3i2b s ASN 52 Ca -0.12 -1.57 -0.28 0.00 -0.71 0.00 0.00 52.86 50.19 3i2b s ASN 52 Cb -0.05 -2.39 -0.09 0.00 0.41 0.00 0.00 41.25 39.12 3i2b s ASN 52 CO 0.01 -1.21 1.16 -0.31 -1.51 0.00 0.00 177.10 175.24 3i2b s TYR 53 N 3.17 3.29 -0.08 2.20 1.51 0.68 -4.76 117.35 123.36 3i2b s TYR 53 Ca 0.25 1.59 0.02 0.00 -1.01 0.00 0.00 57.07 57.93 3i2b s TYR 53 Cb -0.12 -3.40 -0.02 0.00 -0.11 0.00 0.00 41.96 38.31 3i2b s TYR 53 CO 0.00 -1.08 -0.14 0.15 -1.11 0.00 0.00 175.55 173.37 3i2b s LYS 54 N -1.83 2.80 -0.08 -0.62 1.02 -0.70 -1.27 119.74 119.06 3i2b s LYS 54 Ca 0.50 -0.70 0.03 0.00 0.02 0.00 0.00 55.97 55.81 3i2b s LYS 54 Cb -0.33 -2.46 0.01 0.00 -0.52 0.00 0.00 37.83 34.54 3i2b s LYS 54 CO 0.42 0.48 -0.15 0.08 -0.92 0.00 0.00 175.35 175.26 3i2b s VAL 55 N -0.35 1.36 -0.21 3.17 1.01 0.63 -0.25 120.40 125.75 3i2b s VAL 55 Ca 0.03 -0.60 -0.03 0.00 0.00 0.00 0.00 61.98 61.38 3i2b s VAL 55 Cb -0.12 -1.23 -0.00 0.00 0.00 0.00 0.00 36.38 35.03 3i2b s VAL 55 CO 0.02 0.41 -0.07 -0.69 0.00 0.00 0.00 175.10 174.77 3i2b s VAL 56 N 0.64 3.10 -0.20 2.92 1.01 0.13 -0.97 120.40 127.03 3i2b s VAL 56 Ca -0.14 -0.60 -0.07 0.00 0.00 0.00 0.00 61.98 61.16 3i2b s VAL 56 Cb -0.16 -2.40 -0.03 0.00 0.00 0.00 0.00 36.38 33.78 3i2b s VAL 56 CO 0.04 0.43 0.05 -0.69 0.00 0.00 0.00 175.10 174.93 3i2b s VAL 57 N 1.44 4.47 -0.14 2.92 1.01 -0.54 -0.61 120.40 128.95 3i2b s VAL 57 Ca 0.05 -0.14 0.00 0.00 0.00 0.00 0.00 61.98 61.90 3i2b s VAL 57 Cb -0.14 -3.03 -0.01 0.00 0.00 0.00 0.00 36.38 33.20 3i2b s VAL 57 CO -0.05 0.42 -0.15 -0.89 0.00 0.00 0.00 175.10 174.43 3i2b s THR 58 N 0.82 2.83 0.29 3.92 2.01 -0.02 -1.76 115.64 123.73 3i2b s THR 58 Ca 0.03 -0.73 0.09 0.00 0.31 0.00 0.00 61.69 61.38 3i2b s THR 58 Cb -0.14 -2.19 -0.04 0.00 0.01 0.00 0.00 72.50 70.15 3i2b s THR 58 CO 0.02 0.52 0.10 0.68 -0.69 0.00 0.00 174.62 175.25 3i2b s VAL 59 N 0.57 3.45 0.07 3.82 -7.23 0.46 -0.97 120.40 120.56 3i2b s VAL 59 Ca -0.09 -1.72 -0.04 0.00 -1.81 0.00 0.00 61.98 58.31 3i2b s VAL 59 Cb -0.16 -3.00 -0.02 0.00 0.56 0.00 0.00 36.38 33.76 3i2b s VAL 59 CO 0.04 -0.29 0.06 -1.38 -0.31 0.00 0.00 175.10 173.22 3i2b s HIS 60 N -2.33 0.36 -4.56 2.82 -3.43 0.77 -1.26 115.29 107.66 3i2b s HIS 60 Ca 0.34 -0.85 0.00 0.00 -0.80 0.00 0.00 55.06 53.75 3i2b s HIS 60 Cb -0.05 -0.25 0.00 0.00 -1.43 0.00 0.00 32.58 30.85 3i2b s HIS 60 CO 0.22 -0.45 0.00 0.41 -2.00 0.00 0.00 174.74 172.92 3i2b n GLY 61 N 0.06 -1.56 3.75 -1.38 0.00 -1.02 -4.60 105.19 100.44 3i2b n GLY 61 Ca -0.15 -1.21 -0.40 0.00 0.00 0.00 0.00 46.02 44.27 3i2b n GLY 61 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i2b s GLU 62 N -1.85 4.79 -0.28 1.61 2.02 -1.26 -1.27 118.70 122.46 3i2b s GLU 62 Ca 0.00 1.57 -0.29 0.00 0.02 0.00 0.00 54.97 56.28 3i2b s GLU 62 Cb 0.00 -3.26 -0.02 0.00 0.10 0.00 0.00 34.13 30.95 3i2b s GLU 62 CO 0.00 0.41 1.62 0.42 0.02 0.00 0.00 175.26 177.73 3i2b s ILE 63 N -1.09 3.69 -0.07 -1.63 1.01 0.58 -4.28 121.20 119.41 3i2b s ILE 63 Ca 0.42 0.75 -0.29 0.00 0.00 0.00 0.00 60.65 61.53 3i2b s ILE 63 Cb -0.27 -3.78 -0.07 0.00 0.01 0.00 0.00 42.46 38.34 3i2b s ILE 63 CO 0.34 -0.40 1.95 -0.62 0.00 0.00 0.00 174.94 176.21 3i2b s ASP 64 N 4.60 6.22 0.42 3.58 -1.08 -0.14 -4.70 116.67 125.57 3i2b s ASP 64 Ca 0.71 2.30 0.09 0.00 -0.52 0.00 0.00 52.55 55.14 3i2b s ASP 64 Cb -0.22 -2.53 0.90 0.00 -1.46 0.00 0.00 42.92 39.61 3i2b s ASP 64 CO 0.31 -1.29 2.02 1.55 0.52 0.00 0.00 175.17 178.28 3i2b h PRO 65 N 11.59 0.35 -0.10 4.34 0.13 -1.92 0.68 132.00 147.06 3i2b h PRO 65 Ca -0.44 -0.04 -0.07 0.00 -0.87 0.00 0.00 66.00 64.58 3i2b h PRO 65 Cb 1.22 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.28 3i2b h PRO 65 CO 0.95 0.31 -0.21 0.00 -0.23 0.00 0.00 178.00 178.82 3i2b h ALA 66 N 1.75 0.16 0.00 -0.56 0.00 -1.97 -3.37 119.26 115.27 3i2b h ALA 66 Ca 0.09 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 3i2b h ALA 66 Cb 0.10 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 3i2b h ALA 66 CO -0.01 0.12 -1.87 0.25 0.00 0.00 0.00 179.25 177.74 3i2b n THR 67 N -4.52 0.18 -1.06 0.00 -2.24 -1.16 -5.02 114.28 100.46 3i2b n THR 67 Ca -0.07 -0.53 -0.02 0.00 -2.27 0.00 0.00 64.05 61.16 3i2b n THR 67 Cb 0.42 -0.08 -0.01 0.00 -2.10 0.00 0.00 70.33 68.56 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 1.27 0.55 3.20 3.38 0.00 0.24 -5.00 105.19 108.83 3i2b n GLY 68 Ca -0.05 -0.95 -0.17 0.00 0.00 0.00 0.00 46.02 44.86 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 -2.11 0.91 -0.02 1.61 -1.94 -1.25 -4.79 119.30 111.71 3i2b s MET 69 Ca 0.00 -1.14 -0.18 0.00 -1.71 0.00 0.00 55.69 52.65 3i2b s MET 69 Cb 0.00 -0.77 -0.33 0.00 2.01 0.00 0.00 34.83 35.74 3i2b s MET 69 CO 0.00 0.15 0.90 0.28 -0.01 0.00 0.00 175.02 176.34 3i2b h VAL 70 N 3.73 1.35 -3.99 -6.03 2.07 -1.92 -0.34 116.25 111.12 3i2b h VAL 70 Ca -0.39 -2.59 -0.18 0.00 0.82 0.00 0.00 66.70 64.35 3i2b h VAL 70 Cb 1.19 3.08 -0.21 0.00 -1.52 0.00 0.00 31.29 33.84 3i2b h VAL 70 CO 0.49 0.76 -0.70 -0.32 0.02 0.00 0.00 177.57 177.81 3i2b s MET 71 N -2.51 0.35 -0.12 1.57 1.75 -1.26 -4.80 119.30 114.28 3i2b s MET 71 Ca -0.12 -0.65 -0.33 0.00 -1.25 0.00 0.00 55.69 53.34 3i2b s MET 71 Cb 0.03 0.06 -0.11 0.00 2.84 0.00 0.00 34.83 37.65 3i2b s MET 71 CO 0.88 -0.04 1.97 -1.71 -0.65 0.00 0.00 175.02 175.47 3i2b n ASN 72 N 1.53 3.36 -0.13 1.11 2.85 -1.26 -4.90 115.26 117.83 3i2b n ASN 72 Ca -0.24 0.81 -0.04 0.00 -0.11 0.00 0.00 54.58 55.01 3i2b n ASN 72 Cb 0.55 -1.40 0.16 0.00 1.24 0.00 0.00 39.78 40.34 3i2b n ASN 72 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 3i2b h LEU 73 N 10.43 0.79 -0.34 1.20 4.07 -2.00 -2.73 115.31 126.72 3i2b h LEU 73 Ca -0.45 -0.17 0.04 0.00 0.08 0.00 0.00 57.88 57.37 3i2b h LEU 73 Cb 1.27 -0.21 -0.04 0.00 1.08 0.00 0.00 40.66 42.77 3i2b h LEU 73 CO 0.96 0.82 0.12 0.00 -1.08 0.00 0.00 178.44 179.26 3i2b h ALA 74 N 1.28 0.40 -0.68 1.53 0.00 -2.00 -1.81 119.26 117.97 3i2b h ALA 74 Ca 0.16 0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.19 3i2b h ALA 74 Cb 0.39 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 3i2b h ALA 74 CO 0.01 -0.27 0.45 -0.44 0.00 0.00 0.00 179.25 179.00 3i2b h ASP 75 N 0.27 0.56 0.27 0.00 3.32 -1.90 -0.53 116.42 118.40 3i2b h ASP 75 Ca 0.15 0.01 -0.18 0.00 0.02 0.00 0.00 57.03 57.03 3i2b h ASP 75 Cb 0.12 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 3i2b h ASP 75 CO -0.15 0.35 -0.73 0.25 -1.72 0.00 0.00 179.24 177.23 3i2b h LEU 76 N 0.63 0.47 -0.13 1.55 5.85 -1.10 0.15 115.31 122.72 3i2b h LEU 76 Ca 0.31 -0.31 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 3i2b h LEU 76 Cb 0.38 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 3i2b h LEU 76 CO -0.10 1.05 0.05 0.50 -0.34 0.00 0.00 178.44 179.60 3i2b h LYS 77 N 0.27 0.20 -0.77 1.25 3.64 -0.52 0.35 116.57 120.99 3i2b h LYS 77 Ca -0.03 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 3i2b h LYS 77 Cb 1.31 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 33.06 3i2b h LYS 77 CO 0.13 0.30 0.49 0.87 -2.27 0.00 0.00 179.45 178.96 3i2b h LYS 78 N 0.05 1.03 -0.44 1.90 1.57 -0.92 0.11 116.57 119.88 3i2b h LYS 78 Ca 0.04 -0.08 -0.09 0.00 -1.87 0.00 0.00 60.65 58.66 3i2b h LYS 78 Cb 0.18 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 3i2b h LYS 78 CO -0.00 0.70 -0.07 1.88 -0.57 0.00 0.00 179.45 181.39 3i2b h TYR 79 N 1.05 0.91 -0.30 -1.35 0.05 -0.37 -0.49 116.97 116.47 3i2b h TYR 79 Ca 0.28 -0.19 -0.16 0.00 0.05 0.00 0.00 58.73 58.72 3i2b h TYR 79 Cb -0.08 -0.23 -0.01 0.00 1.01 0.00 0.00 36.73 37.43 3i2b h TYR 79 CO -0.01 0.91 -0.44 0.52 -1.05 0.00 0.00 178.16 178.09 3i2b h MET 80 N 0.65 0.76 -0.47 4.88 2.86 -0.66 0.44 114.93 123.39 3i2b h MET 80 Ca 0.11 -0.42 0.03 0.00 -2.06 0.00 0.00 59.70 57.37 3i2b h MET 80 Cb 0.60 0.02 -0.04 0.00 0.06 0.00 0.00 31.60 32.25 3i2b h MET 80 CO 0.04 1.04 0.26 1.49 1.06 0.00 0.00 176.91 180.80 3i2b h GLU 81 N 0.61 0.50 -0.16 1.72 4.57 -0.49 -0.16 114.58 121.17 3i2b h GLU 81 Ca 0.04 -0.03 -0.19 0.00 -1.18 0.00 0.00 59.36 58.00 3i2b h GLU 81 Cb 1.00 -0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 29.48 3i2b h GLU 81 CO 0.10 0.33 -0.66 0.93 -1.18 0.00 0.00 179.01 178.53 3i2b h GLU 82 N 0.52 0.63 0.00 1.92 5.08 -0.95 -1.11 114.58 120.67 3i2b h GLU 82 Ca 0.20 -0.46 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 3i2b h GLU 82 Cb 0.06 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.39 3i2b h GLU 82 CO -0.11 1.08 -0.82 0.00 -1.00 0.00 0.00 179.01 178.15 3i2b h ALA 83 N 0.81 0.58 0.00 3.43 0.00 -0.72 -3.41 119.26 119.95 3i2b h ALA 83 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3i2b h ALA 83 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3i2b h ALA 83 CO 0.13 0.00 0.00 -0.89 0.00 0.00 0.00 179.25 178.49 3i2b n ILE 84 N -2.67 0.73 0.26 0.00 5.41 -0.09 -4.79 119.36 118.21 3i2b n ILE 84 Ca 0.01 0.24 -0.16 0.00 1.00 0.00 0.00 62.75 63.85 3i2b n ILE 84 Cb 0.53 -1.16 -0.08 0.00 -0.71 0.00 0.00 39.64 38.22 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 -0.60 0.01 0.38 2.86 -1.34 -0.75 114.93 115.48 3i2b h MET 85 Ca 0.00 0.04 0.03 0.00 -2.06 0.00 0.00 59.70 57.71 3i2b h MET 85 Cb 0.00 0.14 -0.04 0.00 0.06 0.00 0.00 31.60 31.76 3i2b h MET 85 CO 0.00 -0.35 -0.22 1.96 1.06 0.00 0.00 176.91 179.36 3i2b h GLN 86 N -0.74 -0.35 0.00 1.72 4.20 -1.44 0.58 115.11 119.08 3i2b h GLN 86 Ca -0.06 0.02 -0.10 0.00 0.06 0.00 0.00 58.65 58.57 3i2b h GLN 86 Cb 0.54 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.38 3i2b h GLN 86 CO 0.11 -0.23 -0.49 -1.00 -0.67 0.00 0.00 178.83 176.54 3i2b h PRO 87 N -0.36 0.00 0.00 1.46 0.13 -1.77 -3.39 132.00 128.07 3i2b h PRO 87 Ca 0.06 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 65.03 3i2b h PRO 87 Cb 0.43 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.54 3i2b h PRO 87 CO -0.19 0.49 -1.64 1.28 -0.23 0.00 0.00 178.00 177.70 3i2b n LEU 88 N -3.47 0.00 -4.72 1.56 4.77 -0.29 -4.84 117.00 110.01 3i2b n LEU 88 Ca 0.00 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.57 3i2b n LEU 88 Cb 0.61 0.21 -0.04 0.00 -2.33 0.00 0.00 43.42 41.88 3i2b n LEU 88 CO 0.39 0.21 0.80 -0.62 -1.33 0.00 0.00 177.39 176.84 3i2b s ASP 89 N -4.06 7.23 -1.36 -1.43 2.15 0.18 -2.93 116.67 116.45 3i2b s ASP 89 Ca -0.05 1.99 -0.05 0.00 0.43 0.00 0.00 52.55 54.87 3i2b s ASP 89 Cb 0.03 -2.59 0.03 0.00 -0.30 0.00 0.00 42.92 40.09 3i2b s ASP 89 CO 0.40 -0.31 0.88 1.41 -0.17 0.00 0.00 175.17 177.39 3i2b n HIS 90 N 3.16 -2.18 -4.30 -5.34 8.25 0.27 -4.94 115.22 110.13 3i2b n HIS 90 Ca 0.05 0.90 -0.17 0.00 -0.26 0.00 0.00 57.72 58.24 3i2b n HIS 90 Cb 0.47 -4.46 -0.10 0.00 1.12 0.00 0.00 29.99 27.02 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 -6.11 1.19 -0.37 -0.41 -0.14 -1.15 -5.01 119.74 107.74 3i2b s LYS 91 Ca 0.26 -1.48 -0.17 0.00 -1.36 0.00 0.00 55.97 53.22 3i2b s LYS 91 Cb -0.12 -0.94 0.00 0.00 -1.68 0.00 0.00 37.83 35.08 3i2b s LYS 91 CO 0.80 0.15 0.43 1.21 -0.76 0.00 0.00 175.35 177.17 3i2b s ASN 92 N -3.09 6.22 0.16 2.83 3.84 -1.26 -1.50 114.94 122.13 3i2b s ASN 92 Ca 0.18 -0.31 -0.16 0.00 0.21 0.00 0.00 52.86 52.78 3i2b s ASN 92 Cb -0.01 -2.22 0.04 0.00 -0.55 0.00 0.00 41.25 38.51 3i2b s ASN 92 CO 0.04 -0.45 1.79 -0.07 -2.79 0.00 0.00 177.10 175.63 3i2b h LEU 93 N 8.94 0.36 -0.65 3.21 3.38 -1.37 0.17 115.31 129.34 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 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 3i2b h LEU 93 CO 0.75 0.26 -0.18 0.44 0.09 0.00 0.00 178.44 179.79 3i2b h ASP 94 N 0.46 0.00 0.00 -0.43 3.32 -1.84 -2.62 116.42 115.30 3i2b h ASP 94 Ca 0.16 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 57.05 3i2b h ASP 94 Cb 0.02 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.54 3i2b h ASP 94 CO -0.08 0.18 -1.76 0.23 -1.72 0.00 0.00 179.24 176.08 3i2b n MET 95 N -3.22 1.56 -0.01 3.56 2.81 -1.06 -4.39 117.12 116.37 3i2b n MET 95 Ca 0.02 -0.04 0.10 0.00 -1.81 0.00 0.00 57.70 55.97 3i2b n MET 95 Cb 0.50 -1.31 -0.15 0.00 -0.71 0.00 0.00 33.22 31.55 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 -2.31 0.55 -4.26 7.83 8.00 0.56 -4.85 116.55 122.08 3i2b n ASP 96 Ca -0.15 -0.13 -0.38 0.00 0.71 0.00 0.00 54.79 54.84 3i2b n ASP 96 Cb 0.74 1.78 -0.12 0.00 -0.02 0.00 0.00 41.12 43.49 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 -3.29 3.84 0.35 2.53 1.01 -0.99 -4.99 120.40 118.86 3i2b s VAL 97 Ca -0.05 -1.28 0.09 0.00 0.00 0.00 0.00 61.98 60.74 3i2b s VAL 97 Cb 0.13 -3.26 0.32 0.00 0.00 0.00 0.00 36.38 33.58 3i2b s VAL 97 CO 0.82 -0.30 1.84 -0.65 0.00 0.00 0.00 175.10 176.80 3i2b h PRO 98 N 8.25 0.67 -0.94 2.72 0.11 -1.88 -0.40 132.00 140.53 3i2b h PRO 98 Ca -0.22 -0.04 0.20 0.00 0.11 0.00 0.00 66.00 66.05 3i2b h PRO 98 Cb 1.08 -0.15 -0.08 0.00 0.11 0.00 0.00 31.00 31.96 3i2b h PRO 98 CO 0.65 0.44 0.61 -0.92 -0.21 0.00 0.00 178.00 178.57 3i2b h TYR 99 N 0.69 0.70 -0.38 0.65 5.03 -1.94 -1.15 116.97 120.57 3i2b h TYR 99 Ca 0.49 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.82 3i2b h TYR 99 Cb 0.83 -0.21 0.00 0.00 1.55 0.00 0.00 36.73 38.90 3i2b h TYR 99 CO -0.00 0.18 0.00 1.19 -1.32 0.00 0.00 178.16 178.21 3i2b n PHE 100 N -4.58 0.65 -0.26 -3.82 3.72 -0.16 -3.82 117.46 109.19 3i2b n PHE 100 Ca 0.20 -0.29 -0.06 0.00 -0.05 0.00 0.00 57.45 57.26 3i2b n PHE 100 Cb 0.65 -0.06 0.05 0.00 -0.94 0.00 0.00 39.48 39.18 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 3.60 0.92 -0.09 4.37 0.00 -1.27 -3.29 119.26 123.49 3i2b h ALA 101 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3i2b h ALA 101 Cb 0.68 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3i2b h ALA 101 CO 0.05 0.45 0.00 -0.40 0.00 0.00 0.00 179.25 179.36 3i2b n ASP 102 N -4.46 2.45 -3.97 0.00 5.68 -1.25 -4.99 116.55 110.01 3i2b n ASP 102 Ca 0.06 -2.37 -0.20 0.00 -0.50 0.00 0.00 54.79 51.77 3i2b n ASP 102 Cb 0.11 -0.20 -0.16 0.00 -1.14 0.00 0.00 41.12 39.73 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 -1.65 0.74 0.13 2.12 1.01 -1.24 -5.01 120.40 116.49 3i2b s VAL 103 Ca 0.17 -0.31 -0.31 0.00 0.00 0.00 0.00 61.98 61.53 3i2b s VAL 103 Cb 0.13 -0.68 -0.09 0.00 0.00 0.00 0.00 36.38 35.74 3i2b s VAL 103 CO 0.05 0.25 1.48 -0.69 0.00 0.00 0.00 175.10 176.18 3i2b s VAL 104 N 0.41 3.03 -0.11 2.92 1.01 -1.26 -4.64 120.40 121.76 3i2b s VAL 104 Ca -0.06 0.72 -0.04 0.00 0.00 0.00 0.00 61.98 62.59 3i2b s VAL 104 Cb -0.11 -3.46 -0.12 0.00 0.00 0.00 0.00 36.38 32.70 3i2b s VAL 104 CO 0.01 0.05 3.02 -1.54 0.00 0.00 0.00 175.10 176.64 3i2b n SER 105 N 4.09 5.59 -4.75 3.32 3.41 -1.26 -4.68 113.62 119.34 3i2b n SER 105 Ca 0.13 -2.65 -0.31 0.00 -0.26 0.00 0.00 58.87 55.78 3i2b n SER 105 Cb 0.41 -1.30 0.11 0.00 -0.26 0.00 0.00 64.21 63.16 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 -0.07 3.10 0.31 6.66 -4.23 -1.26 -4.82 115.64 115.33 3i2b s THR 106 Ca 0.49 0.36 -0.01 0.00 -1.18 0.00 0.00 61.69 61.35 3i2b s THR 106 Cb 0.26 -2.80 0.25 0.00 1.34 0.00 0.00 72.50 71.55 3i2b s THR 106 CO -0.04 -0.47 1.96 0.74 -0.54 0.00 0.00 174.62 176.27 3i2b h THR 107 N -1.28 1.20 -0.24 3.99 2.02 -1.99 -0.89 112.91 115.73 3i2b h THR 107 Ca -0.45 -0.42 0.06 0.00 0.77 0.00 0.00 66.41 66.38 3i2b h THR 107 Cb 1.24 0.15 -0.06 0.00 -1.74 0.00 0.00 68.15 67.74 3i2b h THR 107 CO 0.51 0.21 -0.16 -0.33 0.37 0.00 0.00 175.52 176.11 3i2b h GLU 108 N 1.01 -0.15 0.00 6.66 3.07 -1.95 -1.05 114.58 122.17 3i2b h GLU 108 Ca 0.27 0.01 -0.05 0.00 -0.50 0.00 0.00 59.36 59.09 3i2b h GLU 108 Cb -0.07 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 27.87 3i2b h GLU 108 CO -0.05 -0.10 -0.24 -0.91 -1.40 0.00 0.00 179.01 176.31 3i2b h ASN 109 N -0.15 0.00 -0.12 1.42 2.35 -1.55 -1.89 115.58 115.65 3i2b h ASN 109 Ca 0.13 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.72 3i2b h ASN 109 Cb 0.35 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.72 3i2b h ASN 109 CO -0.33 0.24 -0.49 0.58 -1.65 0.00 0.00 177.43 175.78 3i2b h VAL 110 N 0.00 1.30 -0.52 2.81 2.07 -0.64 -1.15 116.25 120.12 3i2b h VAL 110 Ca -0.00 -1.70 -0.07 0.00 0.82 0.00 0.00 66.70 65.75 3i2b h VAL 110 Cb 0.75 1.64 -0.02 0.00 -1.52 0.00 0.00 31.29 32.13 3i2b h VAL 110 CO 0.03 0.54 0.07 0.00 0.02 0.00 0.00 177.57 178.23 3i2b h ALA 111 N 0.91 0.69 -0.31 1.67 0.00 -0.44 -1.69 119.26 120.09 3i2b h ALA 111 Ca 0.02 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 3i2b h ALA 111 Cb 1.05 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 3i2b h ALA 111 CO 0.10 0.45 -0.10 0.28 0.00 0.00 0.00 179.25 179.98 3i2b h VAL 112 N 0.75 1.29 -0.43 0.00 2.07 -1.35 -0.51 116.25 118.06 3i2b h VAL 112 Ca 0.16 -1.16 0.06 0.00 0.82 0.00 0.00 66.70 66.58 3i2b h VAL 112 Cb 0.43 1.40 -0.06 0.00 -1.52 0.00 0.00 31.29 31.55 3i2b h VAL 112 CO 0.01 0.37 0.11 0.22 0.02 0.00 0.00 177.57 178.31 3i2b h TYR 113 N 0.37 0.19 -0.45 1.57 3.20 -1.10 -0.34 116.97 120.41 3i2b h TYR 113 Ca 0.07 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.94 3i2b h TYR 113 Cb 0.60 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.83 3i2b h TYR 113 CO 0.05 0.04 0.15 0.82 -1.64 0.00 0.00 178.16 177.58 3i2b h ILE 114 N 0.26 1.22 -0.26 1.81 2.04 -1.05 -0.66 117.51 120.87 3i2b h ILE 114 Ca 0.21 -0.71 0.05 0.00 1.00 0.00 0.00 64.86 65.41 3i2b h ILE 114 Cb 0.24 0.84 -0.05 0.00 -0.74 0.00 0.00 36.82 37.11 3i2b h ILE 114 CO -0.25 0.26 -0.07 -0.25 0.00 0.00 0.00 178.15 177.84 3i2b h TRP 115 N 0.58 -0.15 -0.68 1.37 2.91 -0.69 -0.44 115.95 118.85 3i2b h TRP 115 Ca 0.15 0.02 -0.08 0.00 1.13 0.00 0.00 58.89 60.11 3i2b h TRP 115 Cb 0.25 0.11 -0.03 0.00 -0.51 0.00 0.00 29.16 28.98 3i2b h TRP 115 CO 0.01 -0.12 0.10 -0.44 -1.03 0.00 0.00 178.44 176.97 3i2b h ASP 116 N -0.01 1.08 -0.58 2.65 3.32 -0.72 -0.17 116.42 121.99 3i2b h ASP 116 Ca 0.12 -0.26 -0.02 0.00 0.02 0.00 0.00 57.03 56.90 3i2b h ASP 116 Cb 0.20 -0.29 -0.03 0.00 0.22 0.00 0.00 39.33 39.44 3i2b h ASP 116 CO -0.27 1.07 0.29 0.78 -1.72 0.00 0.00 179.24 179.39 3i2b h ASN 117 N 1.05 0.74 -0.34 6.45 4.21 -0.86 -2.97 115.58 123.86 3i2b h ASN 117 Ca 0.20 -0.12 -0.09 0.00 1.21 0.00 0.00 56.30 57.51 3i2b h ASN 117 Cb 0.45 -0.19 -0.02 0.00 -1.12 0.00 0.00 38.32 37.44 3i2b h ASN 117 CO 0.01 0.65 -0.11 -0.07 -1.29 0.00 0.00 177.43 176.62 3i2b h LEU 118 N 0.78 0.77 -2.03 1.61 3.38 -0.60 -3.05 115.31 116.18 3i2b h LEU 118 Ca 0.20 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 3i2b h LEU 118 Cb 0.09 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 3i2b h LEU 118 CO -0.03 0.90 -0.07 1.56 0.09 0.00 0.00 178.44 180.89 3i2b h GLN 119 N 0.71 0.00 -0.10 1.13 1.08 -0.88 -0.84 115.11 116.21 3i2b h GLN 119 Ca 0.12 0.00 -0.16 0.00 -1.45 0.00 0.00 58.65 57.16 3i2b h GLN 119 Cb 0.59 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.01 3i2b h GLN 119 CO 0.04 0.07 -0.63 0.87 -0.95 0.00 0.00 178.83 178.23 3i2b h LYS 120 N 0.00 0.37 0.09 1.46 1.57 -1.50 -3.33 116.57 115.23 3i2b h LYS 120 Ca -0.00 -0.26 -0.22 0.00 -1.87 0.00 0.00 60.65 58.30 3i2b h LYS 120 Cb 0.31 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.66 3i2b h LYS 120 CO 0.01 0.88 -1.12 -0.39 -0.57 0.00 0.00 179.45 178.26 3i2b h VAL 121 N 0.27 1.19 -3.89 0.50 -1.51 -1.53 -3.49 116.25 107.78 3i2b h VAL 121 Ca -0.01 -2.39 -0.50 0.00 -1.23 0.00 0.00 66.70 62.57 3i2b h VAL 121 Cb 1.16 2.81 0.03 0.00 -2.13 0.00 0.00 31.29 33.16 3i2b h VAL 121 CO 0.11 0.64 0.47 -0.76 -1.23 0.00 0.00 177.57 176.80 3i2b s LEU 122 N -7.73 4.32 0.16 4.19 1.43 -0.36 -4.98 118.68 115.71 3i2b s LEU 122 Ca -0.20 2.24 -0.34 0.00 -1.03 0.00 0.00 54.13 54.80 3i2b s LEU 122 Cb 0.03 -3.90 -0.15 0.00 0.03 0.00 0.00 46.19 42.20 3i2b s LEU 122 CO 0.74 -0.41 1.37 -2.65 0.23 0.00 0.00 176.35 175.63 3i2b n PRO 123 N 0.49 1.58 -1.46 1.29 -0.02 -1.26 -4.86 135.00 130.75 3i2b n PRO 123 Ca 0.02 0.57 -0.50 0.00 -2.02 0.00 0.00 63.50 61.57 3i2b n PRO 123 Cb 0.47 -2.21 -0.04 0.00 -0.02 0.00 0.00 33.50 31.69 3i2b n PRO 123 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3i2b n VAL 124 N 2.37 1.40 -0.90 -1.45 0.31 -1.26 -2.77 118.33 116.02 3i2b n VAL 124 Ca 0.16 -0.35 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 3i2b n VAL 124 Cb 0.25 -0.19 0.00 0.00 -0.91 0.00 0.00 33.84 32.99 3i2b n VAL 124 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3i2b n GLY 125 N 1.82 0.90 0.12 2.92 0.00 -1.26 -4.89 105.19 104.79 3i2b n GLY 125 Ca 0.17 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.12 1.59 -2.11 1.61 0.31 -1.12 -4.83 118.33 111.67 3i2b n VAL 126 Ca 0.00 -0.70 -0.42 0.00 -0.01 0.00 0.00 64.34 63.21 3i2b n VAL 126 Cb 0.00 -1.26 -0.03 0.00 -0.91 0.00 0.00 33.84 31.64 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 -6.40 4.34 -0.12 7.52 2.96 -1.26 -0.16 118.68 125.55 3i2b s LEU 127 Ca -0.20 2.28 -0.02 0.00 -0.22 0.00 0.00 54.13 55.97 3i2b s LEU 127 Cb 0.07 -3.57 -0.07 0.00 0.50 0.00 0.00 46.19 43.13 3i2b s LEU 127 CO 0.75 -0.77 -0.13 0.00 -1.32 0.00 0.00 176.35 174.88 3i2b n TYR 128 N 5.25 0.00 -3.66 5.38 9.36 -0.14 -4.86 117.16 128.50 3i2b n TYR 128 Ca 0.14 0.00 -0.14 0.00 3.32 0.00 0.00 57.90 61.22 3i2b n TYR 128 Cb 0.42 -0.47 -0.08 0.00 -0.63 0.00 0.00 39.34 38.59 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 -2.24 0.74 -0.12 2.98 2.20 -0.72 -4.63 119.74 117.95 3i2b s LYS 129 Ca -0.17 0.74 0.02 0.00 -0.36 0.00 0.00 55.97 56.21 3i2b s LYS 129 Cb 0.05 0.36 0.01 0.00 -1.51 0.00 0.00 37.83 36.74 3i2b s LYS 129 CO 0.26 -0.11 -0.20 0.08 -0.36 0.00 0.00 175.35 175.03 3i2b s VAL 130 N 0.10 1.82 -0.11 4.02 1.01 -0.60 -0.84 120.40 125.81 3i2b s VAL 130 Ca -0.02 -0.85 0.03 0.00 0.00 0.00 0.00 61.98 61.15 3i2b s VAL 130 Cb -0.04 -1.62 0.01 0.00 0.00 0.00 0.00 36.38 34.73 3i2b s VAL 130 CO 0.02 0.50 -0.21 -0.75 0.00 0.00 0.00 175.10 174.66 3i2b s LYS 131 N 0.79 2.78 -0.14 2.72 2.20 0.22 -0.91 119.74 127.40 3i2b s LYS 131 Ca -0.09 -0.78 0.02 0.00 -0.36 0.00 0.00 55.97 54.76 3i2b s LYS 131 Cb -0.16 -2.20 0.01 0.00 -1.51 0.00 0.00 37.83 33.98 3i2b s LYS 131 CO 0.00 0.06 -0.19 0.08 -0.36 0.00 0.00 175.35 174.94 3i2b s VAL 132 N 0.63 1.89 -0.39 4.02 1.01 0.20 -0.69 120.40 127.06 3i2b s VAL 132 Ca -0.13 -0.86 -0.16 0.00 0.00 0.00 0.00 61.98 60.83 3i2b s VAL 132 Cb -0.16 -1.69 0.01 0.00 0.00 0.00 0.00 36.38 34.53 3i2b s VAL 132 CO 0.03 0.52 0.38 -0.31 0.00 0.00 0.00 175.10 175.72 3i2b s TYR 133 N 0.99 3.20 0.13 5.22 1.51 0.66 -1.06 117.35 128.00 3i2b s TYR 133 Ca -0.04 -0.31 -0.09 0.00 -1.01 0.00 0.00 57.07 55.62 3i2b s TYR 133 Cb -0.15 -2.75 -0.07 0.00 -0.11 0.00 0.00 41.96 38.88 3i2b s TYR 133 CO -0.04 -0.59 1.38 1.49 -1.11 0.00 0.00 175.55 176.68 3i2b h GLU 134 N 8.62 0.73 -4.77 -0.62 4.81 -1.54 -1.86 114.58 119.95 3i2b h GLU 134 Ca -0.28 -0.54 -0.39 0.00 -0.13 0.00 0.00 59.36 58.02 3i2b h GLU 134 Cb 1.12 0.09 -0.13 0.00 0.63 0.00 0.00 28.75 30.46 3i2b h GLU 134 CO 0.75 1.16 -0.51 0.95 -0.73 0.00 0.00 179.01 180.62 3i2b s THR 135 N -3.87 0.00 0.54 0.32 -4.23 -1.21 -4.57 115.64 102.61 3i2b s THR 135 Ca -0.09 -1.98 0.31 0.00 -1.18 0.00 0.00 61.69 58.75 3i2b s THR 135 Cb 0.10 -2.50 0.48 0.00 1.34 0.00 0.00 72.50 71.92 3i2b s THR 135 CO 0.88 0.00 1.89 0.44 -0.54 0.00 0.00 174.62 177.29 3i2b h ASP 136 N 2.28 0.00 -0.00 3.99 3.32 -1.92 -3.06 116.42 121.03 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 0.41 0.00 -0.63 0.59 -1.72 0.00 0.00 179.24 177.90 3i2b n ASN 137 N -4.27 0.75 -3.99 6.45 3.02 -1.26 -4.91 115.26 111.05 3i2b n ASN 137 Ca 0.18 -0.87 -0.31 0.00 -0.03 0.00 0.00 54.58 53.55 3i2b n ASN 137 Cb 0.96 0.95 -0.16 0.00 -0.61 0.00 0.00 39.78 40.92 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 -2.27 3.59 0.01 6.41 0.01 -1.16 -5.10 114.94 116.43 3i2b s ASN 138 Ca 0.06 -1.00 0.04 0.00 -0.71 0.00 0.00 52.86 51.25 3i2b s ASN 138 Cb 0.11 -1.25 -0.01 0.00 0.41 0.00 0.00 41.25 40.50 3i2b s ASN 138 CO 0.55 -0.17 -0.13 -0.63 -1.51 0.00 0.00 177.10 175.21 3i2b s ILE 139 N 1.37 1.05 -0.04 0.60 1.01 -1.26 -1.45 121.20 122.47 3i2b s ILE 139 Ca -0.03 -0.73 0.06 0.00 0.00 0.00 0.00 60.65 59.95 3i2b s ILE 139 Cb -0.17 -0.91 -0.01 0.00 0.01 0.00 0.00 42.46 41.38 3i2b s ILE 139 CO -0.07 0.17 -0.22 -0.69 0.00 0.00 0.00 174.94 174.13 3i2b s VAL 140 N -0.52 1.80 -0.11 2.92 1.01 -0.23 -4.99 120.40 120.28 3i2b s VAL 140 Ca 0.04 -0.94 0.03 0.00 0.00 0.00 0.00 61.98 61.10 3i2b s VAL 140 Cb -0.06 -1.51 0.00 0.00 0.00 0.00 0.00 36.38 34.81 3i2b s VAL 140 CO 0.00 0.51 -0.22 -0.69 0.00 0.00 0.00 175.10 174.70 3i2b s VAL 141 N -0.28 1.96 -0.09 2.92 1.01 -1.26 -0.63 120.40 124.03 3i2b s VAL 141 Ca 0.02 -0.95 0.04 0.00 0.00 0.00 0.00 61.98 61.09 3i2b s VAL 141 Cb -0.11 -1.71 0.00 0.00 0.00 0.00 0.00 36.38 34.56 3i2b s VAL 141 CO 0.01 0.54 -0.22 -0.47 0.00 0.00 0.00 175.10 174.96 3i2b s TYR 142 N 0.52 2.34 0.00 5.22 5.04 -0.08 -5.01 117.35 125.38 3i2b s TYR 142 Ca -0.15 -0.91 0.00 0.00 -2.44 0.00 0.00 57.07 53.58 3i2b s TYR 142 Cb -0.17 -1.57 0.00 0.00 0.35 0.00 0.00 41.96 40.57 3i2b s TYR 142 CO 0.05 -0.36 0.91 1.63 -1.34 0.00 0.00 175.55 176.44 3i2b n LYS 143 N 3.47 2.31 -0.42 4.97 5.02 -1.26 -1.55 118.16 130.70 3i2b n LYS 143 Ca -0.19 -1.31 0.00 0.00 -2.02 0.00 0.00 58.31 54.78 3i2b n LYS 143 Cb 0.53 -0.98 0.00 0.00 -0.02 0.00 0.00 35.03 34.56 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 -0.41 0.75 0.00 0.72 0.00 -1.26 -4.88 105.19 100.11 3i2b n GLY 144 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 3i2b n GLY 144 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50