#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i2b s GLN 11 N 1.18 3.58 0.10 0.00 -1.52 -1.26 -0.64 119.66 121.11 3i2b s GLN 11 Ca -0.07 -0.12 -0.09 0.00 -1.95 0.00 0.00 55.36 53.13 3i2b s GLN 11 Cb -0.14 -3.01 -0.00 0.00 -0.22 0.00 0.00 33.01 29.64 3i2b s GLN 11 CO -0.02 0.59 0.20 0.00 -0.25 0.00 0.00 175.29 175.82 3i2b s ALA 12 N -1.44 -0.15 -0.14 6.09 0.00 -0.40 -4.92 121.76 120.80 3i2b s ALA 12 Ca 0.33 -0.69 -0.02 0.00 0.00 0.00 0.00 51.96 51.57 3i2b s ALA 12 Cb -0.13 0.57 -0.02 0.00 0.00 0.00 0.00 23.12 23.53 3i2b s ALA 12 CO 0.20 -0.54 -0.07 -0.65 0.00 0.00 0.00 175.76 174.71 3i2b s GLN 13 N -3.89 3.49 -0.07 0.00 -0.21 -1.26 -2.40 119.66 115.33 3i2b s GLN 13 Ca 0.08 -0.57 0.05 0.00 0.02 0.00 0.00 55.36 54.93 3i2b s GLN 13 Cb 0.05 -2.80 -0.00 0.00 1.00 0.00 0.00 33.01 31.26 3i2b s GLN 13 CO -0.09 0.28 -0.21 0.08 -2.12 0.00 0.00 175.29 173.24 3i2b s VAL 14 N 0.22 1.78 0.06 1.09 1.01 -0.39 -4.98 120.40 119.20 3i2b s VAL 14 Ca -0.04 -0.89 0.07 0.00 0.00 0.00 0.00 61.98 61.11 3i2b s VAL 14 Cb -0.14 -1.53 -0.03 0.00 0.00 0.00 0.00 36.38 34.68 3i2b s VAL 14 CO 0.04 0.50 -0.18 -0.44 0.00 0.00 0.00 175.10 175.01 3i2b s SER 15 N 0.14 2.19 -0.02 3.32 0.01 -1.26 -0.58 113.70 117.50 3i2b s SER 15 Ca -0.10 -0.55 0.04 0.00 1.31 0.00 0.00 55.95 56.65 3i2b s SER 15 Cb -0.15 -0.15 -0.01 0.00 0.21 0.00 0.00 66.02 65.93 3i2b s SER 15 CO 0.05 0.08 -0.13 -0.60 0.41 0.00 0.00 173.24 173.05 3i2b s ARG 16 N -1.39 1.17 -0.12 12.44 3.52 -0.58 -4.97 118.95 129.03 3i2b s ARG 16 Ca 0.05 -0.46 -0.02 0.00 -0.13 0.00 0.00 55.73 55.16 3i2b s ARG 16 Cb -0.09 -1.10 -0.03 0.00 -1.56 0.00 0.00 34.95 32.17 3i2b s ARG 16 CO 0.02 0.24 -0.05 0.50 -0.81 0.00 0.00 175.30 175.21 3i2b s ARG 17 N -0.15 3.31 0.24 5.12 3.52 -1.26 -1.07 118.95 128.66 3i2b s ARG 17 Ca 0.02 -0.52 0.01 0.00 -0.13 0.00 0.00 55.73 55.11 3i2b s ARG 17 Cb -0.07 -2.79 -0.05 0.00 -1.56 0.00 0.00 34.95 30.48 3i2b s ARG 17 CO 0.00 0.42 0.09 0.96 -0.81 0.00 0.00 175.30 175.96 3i2b s ILE 18 N -0.13 0.51 0.16 4.11 -4.36 -0.32 -4.99 121.20 116.19 3i2b s ILE 18 Ca 0.02 -2.00 0.07 0.00 -0.26 0.00 0.00 60.65 58.49 3i2b s ILE 18 Cb -0.13 -2.56 -0.04 0.00 1.25 0.00 0.00 42.46 40.98 3i2b s ILE 18 CO 0.03 -0.06 -0.15 -0.94 0.24 0.00 0.00 174.94 174.06 3i2b s SER 19 N -3.28 2.33 0.04 4.36 1.04 -1.26 -0.36 113.70 116.58 3i2b s SER 19 Ca 0.36 -0.92 -0.05 0.00 0.48 0.00 0.00 55.95 55.82 3i2b s SER 19 Cb 0.08 -0.11 -0.01 0.00 0.10 0.00 0.00 66.02 66.08 3i2b s SER 19 CO 0.12 -0.15 0.08 0.72 0.98 0.00 0.00 173.24 174.99 3i2b s PHE 20 N -2.57 0.24 -0.16 5.02 -0.71 -0.40 -5.00 117.98 114.41 3i2b s PHE 20 Ca 0.16 -0.59 -0.07 0.00 -1.04 0.00 0.00 56.93 55.40 3i2b s PHE 20 Cb -0.03 -0.17 -0.04 0.00 -1.21 0.00 0.00 43.02 41.57 3i2b s PHE 20 CO 0.05 -0.37 0.07 -1.12 -1.34 0.00 0.00 175.22 172.50 3i2b s SER 21 N -2.26 5.73 0.05 1.98 0.01 -1.26 0.22 113.70 118.16 3i2b s SER 21 Ca -0.03 0.17 -0.18 0.00 1.31 0.00 0.00 55.95 57.21 3i2b s SER 21 Cb 0.00 -1.91 0.04 0.00 0.21 0.00 0.00 66.02 64.36 3i2b s SER 21 CO -0.06 0.25 0.42 0.00 0.41 0.00 0.00 173.24 174.26 3i2b s ALA 22 N -0.07 -1.04 0.24 1.44 0.00 -0.89 0.88 121.76 122.32 3i2b s ALA 22 Ca 0.07 0.32 0.09 0.00 0.00 0.00 0.00 51.96 52.44 3i2b s ALA 22 Cb -0.12 0.37 -0.04 0.00 0.00 0.00 0.00 23.12 23.33 3i2b s ALA 22 CO 0.01 -0.47 0.01 -1.54 0.00 0.00 0.00 175.76 173.77 3i2b s SER 23 N -2.04 4.67 0.27 0.00 1.04 -0.42 -1.02 113.70 116.20 3i2b s SER 23 Ca -0.05 -0.54 -0.21 0.00 0.48 0.00 0.00 55.95 55.63 3i2b s SER 23 Cb -0.01 -0.93 0.05 0.00 0.10 0.00 0.00 66.02 65.23 3i2b s SER 23 CO -0.03 0.03 0.84 -1.38 0.98 0.00 0.00 173.24 173.67 3i2b s HIS 24 N -2.12 -0.05 -0.03 5.02 -0.00 -0.36 -0.36 115.29 117.39 3i2b s HIS 24 Ca 0.30 -0.43 -0.01 0.00 -0.00 0.00 0.00 55.06 54.92 3i2b s HIS 24 Cb -0.07 0.73 0.03 0.00 -0.00 0.00 0.00 32.58 33.26 3i2b s HIS 24 CO 0.20 -1.20 0.06 0.50 -0.00 0.00 0.00 174.74 174.29 3i2b s ARG 25 N -3.08 0.01 -0.31 -0.38 3.52 -1.26 -1.70 118.95 115.75 3i2b s ARG 25 Ca 0.14 0.20 -0.23 0.00 -0.13 0.00 0.00 55.73 55.71 3i2b s ARG 25 Cb -0.04 -0.17 -0.00 0.00 -1.56 0.00 0.00 34.95 33.18 3i2b s ARG 25 CO 0.07 -0.13 0.75 -0.51 -0.81 0.00 0.00 175.30 174.67 3i2b s LEU 26 N 0.84 4.11 0.01 -0.88 1.43 -0.58 -4.65 118.68 118.94 3i2b s LEU 26 Ca -0.07 0.57 -0.20 0.00 -1.03 0.00 0.00 54.13 53.40 3i2b s LEU 26 Cb -0.09 -3.01 0.04 0.00 0.03 0.00 0.00 46.19 43.16 3i2b s LEU 26 CO -0.03 -0.60 0.45 -0.72 0.23 0.00 0.00 176.35 175.69 3i2b s TYR 27 N 2.89 -0.34 -0.05 0.29 -0.85 -1.26 -4.07 117.35 113.96 3i2b s TYR 27 Ca 0.31 0.46 0.04 0.00 -0.52 0.00 0.00 57.07 57.35 3i2b s TYR 27 Cb -0.14 0.24 -0.02 0.00 0.38 0.00 0.00 41.96 42.41 3i2b s TYR 27 CO 0.13 -0.53 -0.16 0.45 -1.52 0.00 0.00 175.55 173.91 3i2b s SER 28 N -1.62 3.85 0.17 -0.18 0.15 -1.26 -4.66 113.70 110.14 3i2b s SER 28 Ca -0.09 -0.26 -0.11 0.00 0.70 0.00 0.00 55.95 56.19 3i2b s SER 28 Cb -0.02 -0.85 0.07 0.00 -1.71 0.00 0.00 66.02 63.52 3i2b s SER 28 CO 0.02 0.32 1.70 0.07 1.20 0.00 0.00 173.24 176.56 3i2b h LYS 29 N 5.52 0.94 0.00 5.44 -0.00 -1.98 -2.93 116.57 123.56 3i2b h LYS 29 Ca -0.43 -0.20 0.00 0.00 -0.00 0.00 0.00 60.65 60.01 3i2b h LYS 29 Cb 1.15 -0.13 0.00 0.00 -0.00 0.00 0.00 32.23 33.25 3i2b h LYS 29 CO 0.50 0.84 0.00 1.19 -0.00 0.00 0.00 179.45 181.98 3i2b n PHE 30 N -4.39 0.00 -4.35 0.07 3.01 -1.26 -4.71 117.46 105.83 3i2b n PHE 30 Ca 0.03 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.26 3i2b n PHE 30 Cb 0.21 -0.45 -0.08 0.00 -0.01 0.00 0.00 39.48 39.14 3i2b n PHE 30 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3i2b s LEU 31 N -2.91 2.99 0.70 4.37 1.43 -1.11 -5.13 118.68 119.01 3i2b s LEU 31 Ca 0.05 -0.80 -0.01 0.00 -1.03 0.00 0.00 54.13 52.33 3i2b s LEU 31 Cb 0.05 -1.49 0.11 0.00 0.03 0.00 0.00 46.19 44.89 3i2b s LEU 31 CO 0.14 -0.01 0.97 -0.94 0.23 0.00 0.00 176.35 176.74 3i2b s SER 32 N -3.63 4.51 0.06 2.29 1.04 -1.26 -4.81 113.70 111.90 3i2b s SER 32 Ca 0.31 -0.21 -0.26 0.00 0.48 0.00 0.00 55.95 56.27 3i2b s SER 32 Cb -0.05 -0.27 -0.17 0.00 0.10 0.00 0.00 66.02 65.63 3i2b s SER 32 CO 0.18 -1.74 1.61 0.44 0.98 0.00 0.00 173.24 174.71 3i2b h ASP 33 N -0.47 -0.21 -0.28 7.02 3.45 -1.99 0.36 116.42 124.31 3i2b h ASP 33 Ca -0.38 -0.07 -0.00 0.00 0.43 0.00 0.00 57.03 57.01 3i2b h ASP 33 Cb 1.27 0.05 -0.01 0.00 -0.56 0.00 0.00 39.33 40.09 3i2b h ASP 33 CO 0.44 -0.07 0.17 -0.33 -1.57 0.00 0.00 179.24 177.88 3i2b h GLU 34 N -0.34 0.38 -0.23 3.56 5.08 -1.98 -0.78 114.58 120.26 3i2b h GLU 34 Ca -0.03 -0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.35 3i2b h GLU 34 Cb 0.26 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.38 3i2b h GLU 34 CO 0.04 0.28 -0.09 0.93 -1.00 0.00 0.00 179.01 179.17 3i2b h GLU 35 N 0.36 -0.05 -0.79 2.33 5.08 -1.88 0.12 114.58 119.76 3i2b h GLU 35 Ca 0.10 0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.57 3i2b h GLU 35 Cb -0.00 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.18 3i2b h GLU 35 CO -0.02 -0.03 0.41 -0.91 -1.00 0.00 0.00 179.01 177.46 3i2b h ASN 36 N -0.05 0.54 -0.57 1.42 2.35 -0.01 0.05 115.58 119.32 3i2b h ASN 36 Ca 0.12 0.07 -0.10 0.00 -0.55 0.00 0.00 56.30 55.84 3i2b h ASN 36 Cb 0.23 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.56 3i2b h ASN 36 CO -0.27 0.28 -0.02 0.25 -1.65 0.00 0.00 177.43 176.03 3i2b h LEU 37 N 0.66 1.00 -0.52 1.61 5.85 -0.62 -1.25 115.31 122.04 3i2b h LEU 37 Ca 0.40 -0.31 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 3i2b h LEU 37 Cb 0.46 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 3i2b h LEU 37 CO -0.29 1.07 0.22 0.50 -0.34 0.00 0.00 178.44 179.60 3i2b h LYS 38 N 0.90 0.77 -0.00 1.25 3.64 0.10 -1.12 116.57 122.11 3i2b h LYS 38 Ca 0.16 -0.13 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3i2b h LYS 38 Cb 0.57 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 3i2b h LYS 38 CO 0.03 0.67 -0.02 1.25 -2.27 0.00 0.00 179.45 179.11 3i2b h LEU 39 N 0.70 0.02 0.00 5.20 5.85 -0.99 -3.37 115.31 122.72 3i2b h LEU 39 Ca 0.18 -0.75 0.00 0.00 0.84 0.00 0.00 57.88 58.14 3i2b h LEU 39 Cb 0.17 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.20 3i2b h LEU 39 CO -0.02 0.76 -0.95 0.49 -0.34 0.00 0.00 178.44 178.39 3i2b n PHE 40 N -4.72 0.03 0.00 1.25 3.72 -0.48 -5.02 117.46 112.24 3i2b n PHE 40 Ca -0.09 0.01 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 3i2b n PHE 40 Cb 0.38 -0.12 0.00 0.00 -0.94 0.00 0.00 39.48 38.79 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 3.02 0.25 1.37 0.00 -0.42 -1.87 105.19 109.02 3i2b n GLY 41 Ca 0.04 0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.21 3i2b n GLY 41 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i2b h LYS 42 N 0.00 0.00 0.00 1.61 1.57 -1.96 -0.07 116.57 117.72 3i2b h LYS 42 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3i2b h LYS 42 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3i2b h LYS 42 CO 0.00 0.14 0.00 0.00 -0.57 0.00 0.00 179.45 179.02 3i2b n ASN 44 N -2.21 1.55 -4.66 0.00 2.85 -0.04 -1.53 115.26 111.22 3i2b n ASN 44 Ca 0.01 -1.68 -0.60 0.00 -0.11 0.00 0.00 54.58 52.20 3i2b n ASN 44 Cb 0.15 -0.09 -0.08 0.00 1.24 0.00 0.00 39.78 41.00 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 0.24 1.46 -0.15 1.20 5.15 -0.61 -4.82 115.26 117.74 3i2b n ASN 45 Ca 0.16 1.13 0.07 0.00 -0.60 0.00 0.00 54.58 55.34 3i2b n ASN 45 Cb 0.31 -1.04 0.38 0.00 -0.53 0.00 0.00 39.78 38.90 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 5.26 0.67 -0.39 1.20 0.11 -1.93 -0.50 132.00 136.43 3i2b h PRO 46 Ca -0.47 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3i2b h PRO 46 Cb 1.36 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3i2b h PRO 46 CO 0.87 0.44 0.00 0.09 -0.21 0.00 0.00 178.00 179.19 3i2b n ASN 47 N -4.48 2.35 0.00 -2.05 3.02 -1.26 -5.04 115.26 107.81 3i2b n ASN 47 Ca 0.10 -1.94 0.00 0.00 -0.03 0.00 0.00 54.58 52.71 3i2b n ASN 47 Cb 0.23 -0.26 0.00 0.00 -0.61 0.00 0.00 39.78 39.15 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 1.23 -0.26 0.17 7.41 0.00 -0.20 -5.02 105.19 108.52 3i2b n GLY 48 Ca 0.16 -1.87 -0.01 0.00 0.00 0.00 0.00 46.02 44.30 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 -0.36 -0.66 -3.91 1.61 1.44 -0.69 -4.85 115.22 107.80 3i2b n HIS 49 Ca 0.00 -0.11 -0.10 0.00 -2.01 0.00 0.00 57.72 55.50 3i2b n HIS 49 Cb 0.00 0.03 -0.01 0.00 0.12 0.00 0.00 29.99 30.13 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 -1.11 0.53 0.01 -1.39 0.00 -1.26 -1.23 107.32 102.88 3i2b s GLY 50 Ca 0.01 -0.84 -0.10 0.00 0.00 0.00 0.00 44.72 43.79 3i2b s GLY 50 CO 0.01 -0.46 0.21 0.30 0.00 0.00 0.00 173.10 173.16 3i2b s HIS 51 N -3.10 -0.03 -0.80 1.90 3.76 -0.19 -5.00 115.29 111.83 3i2b s HIS 51 Ca 0.19 -0.04 -0.22 0.00 -0.15 0.00 0.00 55.06 54.84 3i2b s HIS 51 Cb -0.04 0.01 0.08 0.00 1.11 0.00 0.00 32.58 33.75 3i2b s HIS 51 CO 0.12 -0.36 1.10 -0.80 -0.85 0.00 0.00 174.74 173.95 3i2b s ASN 52 N -1.57 6.35 0.33 1.40 0.01 -1.26 -2.08 114.94 118.12 3i2b s ASN 52 Ca -0.12 -1.33 -0.28 0.00 -0.71 0.00 0.00 52.86 50.43 3i2b s ASN 52 Cb -0.05 -2.44 -0.09 0.00 0.41 0.00 0.00 41.25 39.07 3i2b s ASN 52 CO 0.01 -1.37 1.13 -0.31 -1.51 0.00 0.00 177.10 175.05 3i2b s TYR 53 N 3.90 3.36 -0.09 2.20 1.51 0.13 -4.75 117.35 123.61 3i2b s TYR 53 Ca 0.30 1.63 0.01 0.00 -1.01 0.00 0.00 57.07 57.99 3i2b s TYR 53 Cb -0.10 -3.33 -0.02 0.00 -0.11 0.00 0.00 41.96 38.40 3i2b s TYR 53 CO 0.02 -0.87 -0.12 0.15 -1.11 0.00 0.00 175.55 173.62 3i2b s LYS 54 N -1.83 2.99 -0.07 -0.62 1.02 -0.64 -1.28 119.74 119.30 3i2b s LYS 54 Ca 0.50 -0.66 0.04 0.00 0.02 0.00 0.00 55.97 55.87 3i2b s LYS 54 Cb -0.31 -2.55 0.00 0.00 -0.52 0.00 0.00 37.83 34.45 3i2b s LYS 54 CO 0.40 0.43 -0.19 0.08 -0.92 0.00 0.00 175.35 175.15 3i2b s VAL 55 N -0.22 1.64 -0.22 3.17 1.01 0.52 -0.66 120.40 125.64 3i2b s VAL 55 Ca 0.01 -0.79 -0.03 0.00 0.00 0.00 0.00 61.98 61.17 3i2b s VAL 55 Cb -0.13 -1.43 0.00 0.00 0.00 0.00 0.00 36.38 34.82 3i2b s VAL 55 CO 0.03 0.47 -0.07 -0.69 0.00 0.00 0.00 175.10 174.84 3i2b s VAL 56 N 0.35 3.10 -0.20 2.92 1.01 0.59 -1.17 120.40 126.99 3i2b s VAL 56 Ca -0.13 -0.66 -0.06 0.00 0.00 0.00 0.00 61.98 61.13 3i2b s VAL 56 Cb -0.16 -2.43 -0.03 0.00 0.00 0.00 0.00 36.38 33.76 3i2b s VAL 56 CO 0.06 0.39 0.02 -0.69 0.00 0.00 0.00 175.10 174.88 3i2b s VAL 57 N 1.42 4.22 -0.13 2.92 1.01 -0.24 -0.89 120.40 128.73 3i2b s VAL 57 Ca 0.05 -0.22 0.02 0.00 0.00 0.00 0.00 61.98 61.82 3i2b s VAL 57 Cb -0.15 -2.91 0.00 0.00 0.00 0.00 0.00 36.38 33.33 3i2b s VAL 57 CO -0.05 0.43 -0.20 -0.89 0.00 0.00 0.00 175.10 174.39 3i2b s THR 58 N 0.83 2.32 0.30 3.92 2.01 -0.11 -1.52 115.64 123.38 3i2b s THR 58 Ca 0.02 -0.91 0.09 0.00 0.31 0.00 0.00 61.69 61.20 3i2b s THR 58 Cb -0.14 -1.93 -0.04 0.00 0.01 0.00 0.00 72.50 70.40 3i2b s THR 58 CO 0.02 0.54 0.07 0.68 -0.69 0.00 0.00 174.62 175.24 3i2b s VAL 59 N 0.59 3.27 0.08 3.82 -7.23 0.26 -1.21 120.40 119.97 3i2b s VAL 59 Ca -0.11 -1.80 -0.09 0.00 -1.81 0.00 0.00 61.98 58.16 3i2b s VAL 59 Cb -0.16 -2.92 -0.00 0.00 0.56 0.00 0.00 36.38 33.85 3i2b s VAL 59 CO 0.03 -0.28 0.19 -1.38 -0.31 0.00 0.00 175.10 173.35 3i2b s HIS 60 N -2.37 0.13 -4.48 2.82 -3.43 -0.13 -1.26 115.29 106.56 3i2b s HIS 60 Ca 0.34 -0.51 0.00 0.00 -0.80 0.00 0.00 55.06 54.09 3i2b s HIS 60 Cb -0.04 -0.05 0.00 0.00 -1.43 0.00 0.00 32.58 31.06 3i2b s HIS 60 CO 0.21 -0.52 0.00 0.41 -2.00 0.00 0.00 174.74 172.84 3i2b n GLY 61 N 0.10 -1.52 3.75 -1.38 0.00 -1.01 -4.60 105.19 100.54 3i2b n GLY 61 Ca -0.16 -1.20 -0.40 0.00 0.00 0.00 0.00 46.02 44.26 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 -1.81 4.78 -0.49 1.61 8.01 -1.26 -1.28 118.70 128.26 3i2b s GLU 62 Ca 0.00 1.57 -0.28 0.00 0.01 0.00 0.00 54.97 56.27 3i2b s GLU 62 Cb 0.00 -3.27 -0.00 0.00 -4.31 0.00 0.00 34.13 26.55 3i2b s GLU 62 CO 0.00 0.40 1.63 0.42 0.01 0.00 0.00 175.26 177.72 3i2b s ILE 63 N -1.02 3.61 -0.20 -1.63 1.01 0.19 -4.29 121.20 118.87 3i2b s ILE 63 Ca 0.43 0.54 -0.35 0.00 0.00 0.00 0.00 60.65 61.27 3i2b s ILE 63 Cb -0.27 -4.07 -0.12 0.00 0.01 0.00 0.00 42.46 38.02 3i2b s ILE 63 CO 0.34 -0.84 1.97 -0.67 0.00 0.00 0.00 174.94 175.74 3i2b n ASP 64 N 10.44 2.94 0.31 3.58 -0.08 0.60 -4.78 116.55 129.56 3i2b n ASP 64 Ca 0.18 0.77 0.20 0.00 -1.51 0.00 0.00 54.79 54.43 3i2b n ASP 64 Cb 0.49 -1.33 0.94 0.00 2.34 0.00 0.00 41.12 43.56 3i2b n ASP 64 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3i2b h PRO 65 N 10.29 0.00 0.55 -0.67 0.11 -1.90 0.14 132.00 140.52 3i2b h PRO 65 Ca -0.42 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.66 3i2b h PRO 65 Cb 1.29 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.40 3i2b h PRO 65 CO 0.97 0.00 -0.26 0.00 -0.21 0.00 0.00 178.00 178.50 3i2b h ALA 66 N 2.00 -0.77 0.00 -0.75 0.00 -1.96 -3.40 119.26 114.39 3i2b h ALA 66 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3i2b h ALA 66 Cb 0.27 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3i2b h ALA 66 CO 0.00 -0.72 -1.16 0.25 0.00 0.00 0.00 179.25 177.62 3i2b n THR 67 N -5.09 0.09 -1.00 0.00 -2.24 -1.14 -4.95 114.28 99.95 3i2b n THR 67 Ca -0.09 -0.21 -0.00 0.00 -2.27 0.00 0.00 64.05 61.48 3i2b n THR 67 Cb 0.29 0.40 -0.00 0.00 -2.10 0.00 0.00 70.33 68.92 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 1.39 0.46 3.40 3.38 0.00 0.49 -5.01 105.19 109.30 3i2b n GLY 68 Ca 0.02 -0.34 -0.24 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.62 1.47 -0.09 1.61 -1.94 -1.23 -4.80 119.30 113.70 3i2b s MET 69 Ca 0.00 -1.56 -0.09 0.00 -1.71 0.00 0.00 55.69 52.32 3i2b s MET 69 Cb 0.00 -1.60 -0.28 0.00 2.01 0.00 0.00 34.83 34.96 3i2b s MET 69 CO 0.00 0.32 0.52 0.28 -0.01 0.00 0.00 175.02 176.13 3i2b h VAL 70 N 2.90 0.79 -2.91 -6.03 2.07 -1.92 0.17 116.25 111.32 3i2b h VAL 70 Ca -0.43 -2.42 -0.12 0.00 0.82 0.00 0.00 66.70 64.55 3i2b h VAL 70 Cb 1.22 2.64 -0.22 0.00 -1.52 0.00 0.00 31.29 33.41 3i2b h VAL 70 CO 0.53 0.87 -0.26 -0.32 0.02 0.00 0.00 177.57 178.42 3i2b s MET 71 N -2.56 0.60 -0.53 1.57 1.75 -1.26 -4.88 119.30 113.99 3i2b s MET 71 Ca -0.19 0.09 -0.33 0.00 -1.25 0.00 0.00 55.69 54.01 3i2b s MET 71 Cb 0.06 0.27 -0.13 0.00 2.84 0.00 0.00 34.83 37.87 3i2b s MET 71 CO 0.81 -0.14 2.35 -1.71 -0.65 0.00 0.00 175.02 175.68 3i2b n ASN 72 N 1.86 1.68 -0.27 1.11 2.85 -1.26 -4.88 115.26 116.35 3i2b n ASN 72 Ca -0.18 0.17 0.08 0.00 -0.11 0.00 0.00 54.58 54.54 3i2b n ASN 72 Cb 0.57 -1.24 0.22 0.00 1.24 0.00 0.00 39.78 40.57 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 13.68 0.04 -0.92 1.20 3.38 -1.99 0.17 115.31 130.88 3i2b h LEU 73 Ca -0.20 0.16 0.17 0.00 0.09 0.00 0.00 57.88 58.10 3i2b h LEU 73 Cb 1.31 0.21 -0.10 0.00 0.09 0.00 0.00 40.66 42.17 3i2b h LEU 73 CO 1.14 -0.06 0.50 0.00 0.09 0.00 0.00 178.44 180.10 3i2b h ALA 74 N 1.67 1.45 -0.10 1.53 0.00 -1.99 0.66 119.26 122.48 3i2b h ALA 74 Ca 0.46 0.09 -0.17 0.00 0.00 0.00 0.00 54.91 55.29 3i2b h ALA 74 Cb 0.84 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 3i2b h ALA 74 CO -0.55 -0.11 -0.67 -0.44 0.00 0.00 0.00 179.25 177.47 3i2b h ASP 75 N 0.64 0.50 -0.02 0.00 5.19 -1.49 -2.34 116.42 118.90 3i2b h ASP 75 Ca 0.52 -0.31 -0.12 0.00 -0.62 0.00 0.00 57.03 56.51 3i2b h ASP 75 Cb 0.81 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 40.16 3i2b h ASP 75 CO -0.40 1.03 -0.36 0.25 -3.12 0.00 0.00 179.24 176.64 3i2b h LEU 76 N 0.30 0.53 -0.29 1.55 5.85 0.26 -0.77 115.31 122.75 3i2b h LEU 76 Ca -0.02 -0.22 0.01 0.00 0.84 0.00 0.00 57.88 58.50 3i2b h LEU 76 Cb 1.23 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 42.09 3i2b h LEU 76 CO 0.12 0.85 0.16 0.11 -0.34 0.00 0.00 178.44 179.33 3i2b h LYS 77 N 0.43 0.32 -0.33 1.25 6.56 0.10 -2.53 116.57 122.36 3i2b h LYS 77 Ca 0.05 -0.02 -0.05 0.00 -1.06 0.00 0.00 60.65 59.57 3i2b h LYS 77 Cb 0.83 -0.07 -0.01 0.00 -0.57 0.00 0.00 32.23 32.41 3i2b h LYS 77 CO 0.07 0.21 0.03 0.87 -2.06 0.00 0.00 179.45 178.56 3i2b h LYS 78 N 0.33 0.56 -0.74 3.15 6.56 -1.02 -0.38 116.57 125.03 3i2b h LYS 78 Ca 0.12 -0.17 -0.03 0.00 -1.06 0.00 0.00 60.65 59.51 3i2b h LYS 78 Cb 0.02 -0.06 -0.03 0.00 -0.57 0.00 0.00 32.23 31.59 3i2b h LYS 78 CO -0.07 0.67 0.33 1.88 -2.06 0.00 0.00 179.45 180.20 3i2b h TYR 79 N 0.38 1.10 -0.08 -1.35 0.05 -1.13 -1.00 116.97 114.92 3i2b h TYR 79 Ca 0.10 -0.07 -0.17 0.00 0.05 0.00 0.00 58.73 58.63 3i2b h TYR 79 Cb 0.40 -0.33 -0.01 0.00 1.01 0.00 0.00 36.73 37.80 3i2b h TYR 79 CO 0.03 0.82 -0.69 0.52 -1.05 0.00 0.00 178.16 177.79 3i2b h MET 80 N 1.05 0.38 -0.66 4.88 2.86 -1.26 0.93 114.93 123.10 3i2b h MET 80 Ca 0.25 -0.29 -0.02 0.00 -2.06 0.00 0.00 59.70 57.58 3i2b h MET 80 Cb 0.16 0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.85 3i2b h MET 80 CO -0.03 0.93 0.35 1.49 1.06 0.00 0.00 176.91 180.71 3i2b h GLU 81 N 0.26 0.94 -0.09 1.72 4.57 -0.67 -0.60 114.58 120.71 3i2b h GLU 81 Ca -0.02 -0.12 -0.23 0.00 -1.18 0.00 0.00 59.36 57.81 3i2b h GLU 81 Cb 1.25 -0.18 0.01 0.00 -0.16 0.00 0.00 28.75 29.67 3i2b h GLU 81 CO 0.12 0.72 -0.85 0.93 -1.18 0.00 0.00 179.01 178.74 3i2b h GLU 82 N 0.91 0.69 0.00 1.92 4.39 -0.91 -1.04 114.58 120.54 3i2b h GLU 82 Ca 0.23 -0.62 0.00 0.00 0.34 0.00 0.00 59.36 59.32 3i2b h GLU 82 Cb 0.07 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 3i2b h GLU 82 CO -0.03 1.22 -0.75 0.00 -1.16 0.00 0.00 179.01 178.29 3i2b h ALA 83 N 0.59 0.59 0.00 3.43 0.00 -0.72 -3.40 119.26 119.74 3i2b h ALA 83 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3i2b h ALA 83 Cb 1.48 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.27 3i2b h ALA 83 CO 0.17 0.00 0.00 -0.89 0.00 0.00 0.00 179.25 178.53 3i2b n ILE 84 N -2.57 0.59 0.11 0.00 5.41 -0.25 -4.81 119.36 117.84 3i2b n ILE 84 Ca 0.02 0.19 -0.13 0.00 1.00 0.00 0.00 62.75 63.82 3i2b n ILE 84 Cb 0.51 -1.05 -0.08 0.00 -0.71 0.00 0.00 39.64 38.31 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 -0.23 -0.17 0.38 2.86 -1.35 -1.04 114.93 115.38 3i2b h MET 85 Ca 0.00 0.02 0.03 0.00 -2.06 0.00 0.00 59.70 57.69 3i2b h MET 85 Cb 0.00 0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.68 3i2b h MET 85 CO 0.00 -0.01 -0.03 1.96 1.06 0.00 0.00 176.91 179.89 3i2b h GLN 86 N -0.43 0.02 0.00 1.72 4.20 -1.42 -1.08 115.11 118.12 3i2b h GLN 86 Ca -0.02 -0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.59 3i2b h GLN 86 Cb 0.33 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 3i2b h GLN 86 CO 0.04 0.02 -0.46 -1.00 -0.67 0.00 0.00 178.83 176.76 3i2b h PRO 87 N 0.02 0.00 0.00 1.46 0.13 -1.77 -3.40 132.00 128.45 3i2b h PRO 87 Ca 0.08 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.13 3i2b h PRO 87 Cb 0.12 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.23 3i2b h PRO 87 CO -0.16 0.46 -1.55 1.28 -0.23 0.00 0.00 178.00 177.80 3i2b n LEU 88 N -3.24 0.00 -4.73 1.56 4.77 -0.40 -4.84 117.00 110.12 3i2b n LEU 88 Ca 0.02 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.59 3i2b n LEU 88 Cb 0.70 0.12 -0.04 0.00 -2.33 0.00 0.00 43.42 41.87 3i2b n LEU 88 CO 0.40 0.12 0.75 -0.62 -1.33 0.00 0.00 177.39 176.70 3i2b s ASP 89 N -3.66 7.35 -1.39 -1.43 2.15 -0.42 -2.90 116.67 116.37 3i2b s ASP 89 Ca -0.04 1.96 -0.07 0.00 0.43 0.00 0.00 52.55 54.83 3i2b s ASP 89 Cb 0.05 -2.60 0.04 0.00 -0.30 0.00 0.00 42.92 40.11 3i2b s ASP 89 CO 0.40 -0.17 0.92 1.41 -0.17 0.00 0.00 175.17 177.56 3i2b n HIS 90 N 2.62 -2.25 -4.30 -5.34 8.25 0.25 -4.94 115.22 109.51 3i2b n HIS 90 Ca 0.03 0.91 -0.18 0.00 -0.26 0.00 0.00 57.72 58.21 3i2b n HIS 90 Cb 0.47 -4.41 -0.11 0.00 1.12 0.00 0.00 29.99 27.07 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 -6.23 1.19 -0.38 -0.41 -0.14 -1.14 -5.01 119.74 107.62 3i2b s LYS 91 Ca 0.36 -1.44 -0.18 0.00 -1.36 0.00 0.00 55.97 53.35 3i2b s LYS 91 Cb -0.17 -1.02 0.01 0.00 -1.68 0.00 0.00 37.83 34.96 3i2b s LYS 91 CO 0.80 0.18 0.49 1.21 -0.76 0.00 0.00 175.35 177.26 3i2b s ASN 92 N -2.94 6.26 0.17 2.83 3.84 -1.26 -1.30 114.94 122.54 3i2b s ASN 92 Ca 0.17 -0.28 -0.14 0.00 0.21 0.00 0.00 52.86 52.81 3i2b s ASN 92 Cb -0.02 -2.25 0.09 0.00 -0.55 0.00 0.00 41.25 38.52 3i2b s ASN 92 CO 0.05 -0.53 1.80 -0.07 -2.79 0.00 0.00 177.10 175.56 3i2b h LEU 93 N 9.11 0.43 -0.64 3.21 3.38 -1.07 0.16 115.31 129.89 3i2b h LEU 93 Ca -0.27 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 3i2b h LEU 93 Cb 1.12 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.79 3i2b h LEU 93 CO 0.78 0.30 -0.05 0.44 0.09 0.00 0.00 178.44 180.01 3i2b h ASP 94 N 0.54 0.00 0.00 -0.43 3.32 -1.86 -2.87 116.42 115.12 3i2b h ASP 94 Ca 0.20 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.12 3i2b h ASP 94 Cb 0.05 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 3i2b h ASP 94 CO -0.10 0.05 -1.71 0.23 -1.72 0.00 0.00 179.24 175.98 3i2b n MET 95 N -3.13 1.34 -0.00 3.56 2.81 -1.03 -4.38 117.12 116.29 3i2b n MET 95 Ca 0.02 -0.05 0.07 0.00 -1.81 0.00 0.00 57.70 55.93 3i2b n MET 95 Cb 0.45 -1.30 -0.10 0.00 -0.71 0.00 0.00 33.22 31.56 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 -2.22 1.30 -4.21 7.83 8.00 0.52 -4.86 116.55 122.91 3i2b n ASP 96 Ca -0.12 -0.32 -0.37 0.00 0.71 0.00 0.00 54.79 54.69 3i2b n ASP 96 Cb 0.65 1.41 -0.12 0.00 -0.02 0.00 0.00 41.12 43.03 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 -2.74 3.48 0.28 2.53 1.01 -1.08 -5.00 120.40 118.88 3i2b s VAL 97 Ca -0.01 -1.43 0.02 0.00 0.00 0.00 0.00 61.98 60.56 3i2b s VAL 97 Cb 0.10 -3.08 0.28 0.00 0.00 0.00 0.00 36.38 33.68 3i2b s VAL 97 CO 0.59 -0.29 1.80 -0.65 0.00 0.00 0.00 175.10 176.55 3i2b h PRO 98 N 8.13 0.81 -1.06 2.72 0.11 -1.89 -0.37 132.00 140.45 3i2b h PRO 98 Ca -0.20 -0.05 0.31 0.00 0.11 0.00 0.00 66.00 66.16 3i2b h PRO 98 Cb 1.07 -0.18 -0.12 0.00 0.11 0.00 0.00 31.00 31.87 3i2b h PRO 98 CO 0.62 0.54 0.65 -0.92 -0.21 0.00 0.00 178.00 178.67 3i2b h TYR 99 N 0.83 0.80 -0.36 0.65 5.03 -1.94 -0.31 116.97 121.67 3i2b h TYR 99 Ca 0.51 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.85 3i2b h TYR 99 Cb 0.65 -0.22 0.00 0.00 1.55 0.00 0.00 36.73 38.70 3i2b h TYR 99 CO -0.03 -0.06 0.00 1.19 -1.32 0.00 0.00 178.16 177.95 3i2b n PHE 100 N -4.83 0.48 -0.27 -3.82 3.72 -0.15 -3.73 117.46 108.87 3i2b n PHE 100 Ca 0.30 -0.24 -0.02 0.00 -0.05 0.00 0.00 57.45 57.44 3i2b n PHE 100 Cb 0.97 0.00 0.10 0.00 -0.94 0.00 0.00 39.48 39.61 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 3.74 0.99 0.00 4.37 0.00 -1.12 -3.25 119.26 124.00 3i2b h ALA 101 Ca 0.00 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 3i2b h ALA 101 Cb 0.51 -0.22 -0.15 0.00 0.00 0.00 0.00 17.79 17.93 3i2b h ALA 101 CO 0.00 0.22 -0.66 -0.25 0.00 0.00 0.00 179.25 178.56 3i2b n ASP 102 N -4.66 1.36 -4.12 0.00 9.92 -1.25 -5.00 116.55 112.79 3i2b n ASP 102 Ca 0.09 -2.95 -0.26 0.00 -0.53 0.00 0.00 54.79 51.15 3i2b n ASP 102 Cb 0.12 -0.41 -0.16 0.00 -0.64 0.00 0.00 41.12 40.04 3i2b n ASP 102 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3i2b s VAL 103 N -1.70 1.39 0.11 2.53 1.01 -1.23 -5.04 120.40 117.48 3i2b s VAL 103 Ca 0.33 -0.69 -0.31 0.00 0.00 0.00 0.00 61.98 61.31 3i2b s VAL 103 Cb 0.34 -1.20 -0.09 0.00 0.00 0.00 0.00 36.38 35.43 3i2b s VAL 103 CO -0.09 0.40 1.52 -0.69 0.00 0.00 0.00 175.10 176.24 3i2b s VAL 104 N 0.09 3.02 -0.09 2.92 1.01 -1.26 -4.62 120.40 121.47 3i2b s VAL 104 Ca -0.05 0.66 -0.02 0.00 0.00 0.00 0.00 61.98 62.57 3i2b s VAL 104 Cb -0.12 -3.42 -0.03 0.00 0.00 0.00 0.00 36.38 32.81 3i2b s VAL 104 CO 0.02 0.03 2.47 -1.54 0.00 0.00 0.00 175.10 176.09 3i2b n SER 105 N 4.48 5.59 -4.73 3.32 3.41 -1.26 -4.67 113.62 119.77 3i2b n SER 105 Ca 0.14 -2.59 -0.31 0.00 -0.26 0.00 0.00 58.87 55.84 3i2b n SER 105 Cb 0.41 -1.20 0.13 0.00 -0.26 0.00 0.00 64.21 63.28 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 -0.29 2.75 0.35 6.66 -4.23 -1.26 -4.80 115.64 114.81 3i2b s THR 106 Ca 0.26 0.24 0.02 0.00 -1.18 0.00 0.00 61.69 61.04 3i2b s THR 106 Cb 0.15 -2.52 0.24 0.00 1.34 0.00 0.00 72.50 71.71 3i2b s THR 106 CO -0.02 -0.32 1.98 0.74 -0.54 0.00 0.00 174.62 176.47 3i2b h THR 107 N -1.46 1.17 -0.48 3.99 2.02 -1.99 -0.46 112.91 115.69 3i2b h THR 107 Ca -0.43 -0.39 0.09 0.00 0.77 0.00 0.00 66.41 66.44 3i2b h THR 107 Cb 1.25 0.37 -0.07 0.00 -1.74 0.00 0.00 68.15 67.95 3i2b h THR 107 CO 0.47 0.18 0.04 -0.33 0.37 0.00 0.00 175.52 176.25 3i2b h GLU 108 N 0.79 0.15 0.00 6.66 3.07 -1.95 -0.64 114.58 122.67 3i2b h GLU 108 Ca 0.21 -0.01 -0.14 0.00 -0.50 0.00 0.00 59.36 58.91 3i2b h GLU 108 Cb -0.01 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 27.84 3i2b h GLU 108 CO -0.04 0.10 -0.69 -0.91 -1.40 0.00 0.00 179.01 176.08 3i2b h ASN 109 N 0.16 0.00 -0.60 1.42 2.35 -1.49 -1.93 115.58 115.49 3i2b h ASN 109 Ca 0.24 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.90 3i2b h ASN 109 Cb 0.35 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.70 3i2b h ASN 109 CO -0.37 0.69 0.00 0.58 -1.65 0.00 0.00 177.43 176.68 3i2b h VAL 110 N 0.00 1.27 -0.70 2.81 2.07 -0.68 0.44 116.25 121.45 3i2b h VAL 110 Ca -0.01 -1.15 -0.06 0.00 0.82 0.00 0.00 66.70 66.31 3i2b h VAL 110 Cb 1.25 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 31.81 3i2b h VAL 110 CO 0.09 0.42 0.21 0.00 0.02 0.00 0.00 177.57 178.30 3i2b h ALA 111 N 0.98 1.04 -0.13 1.67 0.00 -0.69 -1.06 119.26 121.07 3i2b h ALA 111 Ca 0.17 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 3i2b h ALA 111 Cb 0.56 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 3i2b h ALA 111 CO 0.03 0.64 -0.05 0.28 0.00 0.00 0.00 179.25 180.15 3i2b h VAL 112 N 1.04 1.30 -0.67 0.00 2.07 -1.13 -1.01 116.25 117.85 3i2b h VAL 112 Ca 0.23 -1.04 0.11 0.00 0.82 0.00 0.00 66.70 66.81 3i2b h VAL 112 Cb 0.31 1.72 -0.08 0.00 -1.52 0.00 0.00 31.29 31.71 3i2b h VAL 112 CO -0.01 0.30 0.27 0.22 0.02 0.00 0.00 177.57 178.38 3i2b h TYR 113 N -0.06 0.47 -0.37 1.57 3.20 -0.61 -0.36 116.97 120.81 3i2b h TYR 113 Ca 0.03 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.87 3i2b h TYR 113 Cb 0.49 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.65 3i2b h TYR 113 CO 0.06 0.11 -0.03 0.82 -1.64 0.00 0.00 178.16 177.47 3i2b h ILE 114 N 0.45 1.27 -0.12 1.81 2.04 -1.05 -1.22 117.51 120.69 3i2b h ILE 114 Ca 0.35 -1.05 0.04 0.00 1.00 0.00 0.00 64.86 65.20 3i2b h ILE 114 Cb 0.46 1.21 -0.05 0.00 -0.74 0.00 0.00 36.82 37.70 3i2b h ILE 114 CO -0.34 0.35 -0.21 -0.25 0.00 0.00 0.00 178.15 177.70 3i2b h TRP 115 N 0.48 -0.55 -0.88 1.37 2.91 -0.65 -1.12 115.95 117.51 3i2b h TRP 115 Ca 0.10 0.03 -0.02 0.00 1.13 0.00 0.00 58.89 60.13 3i2b h TRP 115 Cb 0.51 0.26 -0.04 0.00 -0.51 0.00 0.00 29.16 29.39 3i2b h TRP 115 CO 0.04 -0.29 0.47 -0.44 -1.03 0.00 0.00 178.44 177.19 3i2b h ASP 116 N -0.27 1.11 -0.23 2.65 3.32 -0.89 -0.66 116.42 121.44 3i2b h ASP 116 Ca 0.10 -0.10 -0.09 0.00 0.02 0.00 0.00 57.03 56.95 3i2b h ASP 116 Cb 0.41 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 3i2b h ASP 116 CO -0.28 0.89 -0.15 0.78 -1.72 0.00 0.00 179.24 178.77 3i2b h ASN 117 N 1.23 0.65 -0.32 6.45 4.21 -0.90 -2.99 115.58 123.91 3i2b h ASN 117 Ca 0.31 -0.20 -0.15 0.00 1.21 0.00 0.00 56.30 57.47 3i2b h ASN 117 Cb 0.04 -0.17 -0.00 0.00 -1.12 0.00 0.00 38.32 37.06 3i2b h ASN 117 CO -0.05 0.81 -0.38 -0.07 -1.29 0.00 0.00 177.43 176.45 3i2b h LEU 118 N 0.59 0.90 -2.86 1.61 3.38 -0.61 -2.90 115.31 115.41 3i2b h LEU 118 Ca 0.10 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.58 3i2b h LEU 118 Cb 0.60 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3i2b h LEU 118 CO 0.04 1.20 0.00 1.56 0.09 0.00 0.00 178.44 181.33 3i2b h GLN 119 N 0.61 0.00 -0.46 1.13 1.08 -1.01 -1.13 115.11 115.33 3i2b h GLN 119 Ca 0.04 0.00 -0.13 0.00 -1.45 0.00 0.00 58.65 57.12 3i2b h GLN 119 Cb 0.97 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.39 3i2b h GLN 119 CO 0.09 0.00 -0.22 0.87 -0.95 0.00 0.00 178.83 178.62 3i2b h LYS 120 N 0.00 0.94 0.00 1.46 1.57 -1.37 -3.38 116.57 115.79 3i2b h LYS 120 Ca 0.00 -0.40 -0.14 0.00 -1.87 0.00 0.00 60.65 58.24 3i2b h LYS 120 Cb 0.02 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 3i2b h LYS 120 CO 0.00 1.06 -1.75 1.33 -0.57 0.00 0.00 179.45 179.52 3i2b n VAL 121 N -4.11 0.54 -2.18 0.50 0.24 -0.86 -5.00 118.33 107.46 3i2b n VAL 121 Ca 0.00 -0.44 -0.37 0.00 -2.04 0.00 0.00 64.34 61.49 3i2b n VAL 121 Cb 0.45 -0.37 -0.00 0.00 -1.47 0.00 0.00 33.84 32.45 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 -4.55 3.99 0.72 1.34 1.43 -0.49 -5.00 118.68 116.12 3i2b s LEU 122 Ca -0.06 2.38 -0.16 0.00 -1.03 0.00 0.00 54.13 55.26 3i2b s LEU 122 Cb 0.05 -4.25 -0.03 0.00 0.03 0.00 0.00 46.19 42.00 3i2b s LEU 122 CO 0.51 -1.02 0.64 -2.65 0.23 0.00 0.00 176.35 174.06 3i2b n PRO 123 N -0.57 0.35 -1.87 1.29 -0.02 -1.26 -4.89 135.00 128.03 3i2b n PRO 123 Ca 0.08 0.16 -0.41 0.00 -2.02 0.00 0.00 63.50 61.30 3i2b n PRO 123 Cb 0.48 -1.92 -0.02 0.00 -0.02 0.00 0.00 33.50 32.01 3i2b n PRO 123 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3i2b s VAL 124 N -1.89 2.29 0.00 -1.45 0.11 -1.26 -3.37 120.40 114.83 3i2b s VAL 124 Ca 0.67 0.25 0.00 0.00 -2.93 0.00 0.00 61.98 59.98 3i2b s VAL 124 Cb -0.35 -3.16 0.00 0.00 -1.53 0.00 0.00 36.38 31.34 3i2b s VAL 124 CO 0.56 0.04 0.00 0.61 -3.33 0.00 0.00 175.10 172.98 3i2b n GLY 125 N 2.03 1.40 0.08 6.54 0.00 -1.26 -4.88 105.19 109.10 3i2b n GLY 125 Ca 0.07 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.01 3i2b n GLY 125 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3i2b h VAL 126 N 0.00 0.99 -2.64 1.61 3.04 -1.80 -3.46 116.25 113.99 3i2b h VAL 126 Ca 0.00 -2.78 -0.53 0.00 -1.01 0.00 0.00 66.70 62.38 3i2b h VAL 126 Cb 0.00 2.47 0.04 0.00 -2.01 0.00 0.00 31.29 31.79 3i2b h VAL 126 CO 0.00 0.56 1.03 -0.22 -1.01 0.00 0.00 177.57 177.93 3i2b s LEU 127 N -6.19 4.38 -0.13 3.16 2.96 -1.26 -0.96 118.68 120.64 3i2b s LEU 127 Ca -0.03 2.68 -0.02 0.00 -0.22 0.00 0.00 54.13 56.54 3i2b s LEU 127 Cb 0.08 -3.57 -0.07 0.00 0.50 0.00 0.00 46.19 43.13 3i2b s LEU 127 CO 0.82 -0.94 -0.13 0.00 -1.32 0.00 0.00 176.35 174.78 3i2b n TYR 128 N 5.14 0.00 -3.66 5.38 9.36 -0.35 -4.86 117.16 128.17 3i2b n TYR 128 Ca 0.16 0.00 -0.14 0.00 3.32 0.00 0.00 57.90 61.24 3i2b n TYR 128 Cb 0.38 -0.47 -0.08 0.00 -0.63 0.00 0.00 39.34 38.55 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 0.75 -0.11 2.98 2.20 -0.70 -4.62 119.74 118.01 3i2b s LYS 129 Ca -0.17 0.52 0.02 0.00 -0.36 0.00 0.00 55.97 55.98 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 -0.15 -0.17 0.08 -0.36 0.00 0.00 175.35 175.01 3i2b s VAL 130 N -0.27 1.58 -0.11 4.02 1.01 -0.46 -0.94 120.40 125.24 3i2b s VAL 130 Ca -0.04 -0.70 0.03 0.00 0.00 0.00 0.00 61.98 61.26 3i2b s VAL 130 Cb -0.03 -1.43 0.01 0.00 0.00 0.00 0.00 36.38 34.92 3i2b s VAL 130 CO 0.03 0.46 -0.21 -0.75 0.00 0.00 0.00 175.10 174.63 3i2b s LYS 131 N 0.85 2.80 -0.15 2.72 2.20 -0.07 -1.03 119.74 127.06 3i2b s LYS 131 Ca -0.09 -0.79 0.02 0.00 -0.36 0.00 0.00 55.97 54.75 3i2b s LYS 131 Cb -0.15 -2.19 0.01 0.00 -1.51 0.00 0.00 37.83 33.99 3i2b s LYS 131 CO 0.00 0.08 -0.20 0.08 -0.36 0.00 0.00 175.35 174.95 3i2b s VAL 132 N 0.57 2.01 -0.41 4.02 1.01 0.23 -0.30 120.40 127.53 3i2b s VAL 132 Ca -0.14 -0.93 -0.17 0.00 0.00 0.00 0.00 61.98 60.74 3i2b s VAL 132 Cb -0.17 -1.80 0.02 0.00 0.00 0.00 0.00 36.38 34.44 3i2b s VAL 132 CO 0.04 0.54 0.43 -0.31 0.00 0.00 0.00 175.10 175.80 3i2b s TYR 133 N 1.04 3.17 0.14 5.22 1.51 0.17 -0.64 117.35 127.97 3i2b s TYR 133 Ca -0.02 -0.33 -0.09 0.00 -1.01 0.00 0.00 57.07 55.62 3i2b s TYR 133 Cb -0.14 -2.88 -0.04 0.00 -0.11 0.00 0.00 41.96 38.79 3i2b s TYR 133 CO -0.07 -0.68 1.42 1.49 -1.11 0.00 0.00 175.55 176.60 3i2b h GLU 134 N 8.70 0.75 -4.67 -0.62 4.81 -1.51 -1.71 114.58 120.33 3i2b h GLU 134 Ca -0.27 -0.51 -0.42 0.00 -0.13 0.00 0.00 59.36 58.03 3i2b h GLU 134 Cb 1.11 0.07 -0.11 0.00 0.63 0.00 0.00 28.75 30.45 3i2b h GLU 134 CO 0.79 1.13 -0.39 0.95 -0.73 0.00 0.00 179.01 180.76 3i2b s THR 135 N -3.99 0.00 0.55 0.32 -4.23 -1.22 -4.55 115.64 102.50 3i2b s THR 135 Ca -0.09 -1.87 0.27 0.00 -1.18 0.00 0.00 61.69 58.81 3i2b s THR 135 Cb 0.10 -2.56 0.40 0.00 1.34 0.00 0.00 72.50 71.78 3i2b s THR 135 CO 0.88 0.00 1.99 0.44 -0.54 0.00 0.00 174.62 177.38 3i2b h ASP 136 N 2.10 0.00 -0.01 3.99 3.32 -1.93 -3.06 116.42 120.83 3i2b h ASP 136 Ca -0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.79 3i2b h ASP 136 Cb 1.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.78 3i2b h ASP 136 CO 0.36 0.00 -0.24 0.59 -1.72 0.00 0.00 179.24 178.24 3i2b n ASN 137 N -4.22 1.35 -3.95 6.45 3.02 -1.26 -4.92 115.26 111.74 3i2b n ASN 137 Ca 0.09 -1.17 -0.30 0.00 -0.03 0.00 0.00 54.58 53.17 3i2b n ASN 137 Cb 0.61 0.46 -0.16 0.00 -0.61 0.00 0.00 39.78 40.08 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 -1.50 3.27 -0.00 6.41 0.01 -1.16 -5.10 114.94 116.87 3i2b s ASN 138 Ca 0.10 -0.86 0.03 0.00 -0.71 0.00 0.00 52.86 51.42 3i2b s ASN 138 Cb 0.09 -1.10 -0.01 0.00 0.41 0.00 0.00 41.25 40.64 3i2b s ASN 138 CO 0.29 -0.18 -0.11 -0.63 -1.51 0.00 0.00 177.10 174.96 3i2b s ILE 139 N 1.48 0.89 -0.04 0.60 1.01 -1.26 -1.36 121.20 122.52 3i2b s ILE 139 Ca -0.01 -0.52 0.06 0.00 0.00 0.00 0.00 60.65 60.18 3i2b s ILE 139 Cb -0.16 -0.75 -0.01 0.00 0.01 0.00 0.00 42.46 41.55 3i2b s ILE 139 CO -0.08 0.22 -0.23 -0.69 0.00 0.00 0.00 174.94 174.16 3i2b s VAL 140 N -0.32 1.87 -0.12 2.92 1.01 0.19 -4.99 120.40 120.96 3i2b s VAL 140 Ca 0.04 -0.98 0.03 0.00 0.00 0.00 0.00 61.98 61.07 3i2b s VAL 140 Cb -0.05 -1.58 0.00 0.00 0.00 0.00 0.00 36.38 34.76 3i2b s VAL 140 CO -0.00 0.53 -0.21 -0.69 0.00 0.00 0.00 175.10 174.72 3i2b s VAL 141 N -0.24 2.23 -0.04 2.92 1.01 -1.26 -0.60 120.40 124.42 3i2b s VAL 141 Ca 0.00 -0.95 0.06 0.00 0.00 0.00 0.00 61.98 61.10 3i2b s VAL 141 Cb -0.12 -1.88 -0.01 0.00 0.00 0.00 0.00 36.38 34.37 3i2b s VAL 141 CO 0.02 0.55 -0.22 -0.47 0.00 0.00 0.00 175.10 174.98 3i2b s TYR 142 N 0.50 2.10 -0.11 5.22 5.04 -0.20 -5.01 117.35 124.90 3i2b s TYR 142 Ca -0.14 -0.52 0.14 0.00 -2.44 0.00 0.00 57.07 54.11 3i2b s TYR 142 Cb -0.17 -1.37 0.28 0.00 0.35 0.00 0.00 41.96 41.05 3i2b s TYR 142 CO 0.05 -0.12 1.14 1.63 -1.34 0.00 0.00 175.55 176.91 3i2b n LYS 143 N 2.80 0.98 -1.30 4.97 5.02 -1.26 -1.35 118.16 128.01 3i2b n LYS 143 Ca -0.17 -2.39 -0.10 0.00 -2.02 0.00 0.00 58.31 53.63 3i2b n LYS 143 Cb 0.52 -1.18 -0.04 0.00 -0.02 0.00 0.00 35.03 34.31 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 -0.88 1.14 0.57 0.72 0.00 -1.26 -4.93 105.19 100.55 3i2b n GLY 144 Ca 0.13 -0.40 0.14 0.00 0.00 0.00 0.00 46.02 45.89 3i2b n GLY 144 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50