#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 0.49 4.64 0.11 0.00 -1.52 -1.26 -0.59 119.66 121.53 3i2b s GLN 11 Ca -0.02 1.25 -0.05 0.00 -1.95 0.00 0.00 55.36 54.59 3i2b s GLN 11 Cb -0.04 -3.25 -0.02 0.00 -0.22 0.00 0.00 33.01 29.47 3i2b s GLN 11 CO -0.02 0.55 0.12 0.00 -0.25 0.00 0.00 175.29 175.69 3i2b s ALA 12 N -1.17 0.33 -0.09 6.09 0.00 -0.57 -4.94 121.76 121.40 3i2b s ALA 12 Ca 0.38 -1.08 0.00 0.00 0.00 0.00 0.00 51.96 51.26 3i2b s ALA 12 Cb -0.24 0.65 -0.03 0.00 0.00 0.00 0.00 23.12 23.50 3i2b s ALA 12 CO 0.28 -0.51 -0.08 -0.65 0.00 0.00 0.00 175.76 174.80 3i2b s GLN 13 N -3.96 2.97 -0.07 0.00 -0.21 -1.26 -2.17 119.66 114.96 3i2b s GLN 13 Ca 0.14 -0.59 0.03 0.00 0.02 0.00 0.00 55.36 54.96 3i2b s GLN 13 Cb 0.06 -2.62 0.01 0.00 1.00 0.00 0.00 33.01 31.46 3i2b s GLN 13 CO -0.04 0.51 -0.14 0.08 -2.12 0.00 0.00 175.29 173.58 3i2b s VAL 14 N -0.41 1.27 0.12 1.09 1.01 0.02 -4.98 120.40 118.52 3i2b s VAL 14 Ca 0.06 -0.56 0.09 0.00 0.00 0.00 0.00 61.98 61.56 3i2b s VAL 14 Cb -0.12 -1.14 -0.04 0.00 0.00 0.00 0.00 36.38 35.08 3i2b s VAL 14 CO 0.02 0.38 -0.21 -0.44 0.00 0.00 0.00 175.10 174.85 3i2b s SER 15 N 0.57 2.70 -0.02 3.32 0.01 -1.26 -0.80 113.70 118.22 3i2b s SER 15 Ca -0.14 -0.73 0.02 0.00 1.31 0.00 0.00 55.95 56.41 3i2b s SER 15 Cb -0.16 -0.16 0.00 0.00 0.21 0.00 0.00 66.02 65.92 3i2b s SER 15 CO 0.04 0.06 -0.09 -0.60 0.41 0.00 0.00 173.24 173.07 3i2b s ARG 16 N -2.10 0.93 -0.11 12.44 3.52 -0.63 -4.98 118.95 128.03 3i2b s ARG 16 Ca 0.09 -0.30 -0.01 0.00 -0.13 0.00 0.00 55.73 55.39 3i2b s ARG 16 Cb -0.09 -0.88 -0.03 0.00 -1.56 0.00 0.00 34.95 32.40 3i2b s ARG 16 CO 0.05 0.11 -0.08 0.50 -0.81 0.00 0.00 175.30 175.08 3i2b s ARG 17 N 0.17 3.17 0.21 5.12 3.52 -1.26 -1.07 118.95 128.82 3i2b s ARG 17 Ca -0.03 -0.58 -0.00 0.00 -0.13 0.00 0.00 55.73 54.99 3i2b s ARG 17 Cb -0.08 -2.69 -0.04 0.00 -1.56 0.00 0.00 34.95 30.58 3i2b s ARG 17 CO 0.00 0.42 0.11 0.96 -0.81 0.00 0.00 175.30 175.99 3i2b s ILE 18 N -0.16 0.22 0.18 4.11 -4.36 -0.26 -4.98 121.20 115.94 3i2b s ILE 18 Ca 0.02 -1.99 0.05 0.00 -0.26 0.00 0.00 60.65 58.46 3i2b s ILE 18 Cb -0.13 -2.51 -0.05 0.00 1.25 0.00 0.00 42.46 41.02 3i2b s ILE 18 CO 0.03 -0.04 -0.10 -0.94 0.24 0.00 0.00 174.94 174.13 3i2b s SER 19 N -3.21 2.04 0.03 4.36 1.04 -1.26 -0.37 113.70 116.32 3i2b s SER 19 Ca 0.37 -1.05 -0.08 0.00 0.48 0.00 0.00 55.95 55.67 3i2b s SER 19 Cb 0.07 -0.05 -0.00 0.00 0.10 0.00 0.00 66.02 66.15 3i2b s SER 19 CO 0.12 -0.32 0.15 0.72 0.98 0.00 0.00 173.24 174.89 3i2b s PHE 20 N -3.24 0.08 -0.18 5.02 -0.71 -0.41 -5.00 117.98 113.55 3i2b s PHE 20 Ca 0.20 -0.28 -0.09 0.00 -1.04 0.00 0.00 56.93 55.72 3i2b s PHE 20 Cb 0.02 -0.06 -0.05 0.00 -1.21 0.00 0.00 43.02 41.72 3i2b s PHE 20 CO 0.04 -0.37 0.13 -1.12 -1.34 0.00 0.00 175.22 172.56 3i2b s SER 21 N -1.86 6.25 0.03 1.98 0.01 -1.26 -0.40 113.70 118.45 3i2b s SER 21 Ca -0.08 0.30 -0.17 0.00 1.31 0.00 0.00 55.95 57.30 3i2b s SER 21 Cb -0.03 -2.08 0.03 0.00 0.21 0.00 0.00 66.02 64.15 3i2b s SER 21 CO -0.02 0.25 0.39 0.00 0.41 0.00 0.00 173.24 174.27 3i2b s ALA 22 N -0.05 -0.96 0.20 1.44 0.00 -0.78 0.96 121.76 122.58 3i2b s ALA 22 Ca 0.10 0.30 0.07 0.00 0.00 0.00 0.00 51.96 52.43 3i2b s ALA 22 Cb -0.11 0.29 -0.04 0.00 0.00 0.00 0.00 23.12 23.26 3i2b s ALA 22 CO -0.00 -0.42 0.04 -1.54 0.00 0.00 0.00 175.76 173.84 3i2b s SER 23 N -1.90 4.92 0.33 0.00 1.04 -0.49 -1.37 113.70 116.23 3i2b s SER 23 Ca -0.06 -0.39 -0.19 0.00 0.48 0.00 0.00 55.95 55.79 3i2b s SER 23 Cb -0.01 -1.09 0.04 0.00 0.10 0.00 0.00 66.02 65.06 3i2b s SER 23 CO -0.01 0.05 0.75 -1.38 0.98 0.00 0.00 173.24 173.63 3i2b s HIS 24 N -1.90 -0.05 -0.06 5.02 -0.00 -0.50 -0.76 115.29 117.05 3i2b s HIS 24 Ca 0.29 -0.51 -0.03 0.00 -0.00 0.00 0.00 55.06 54.81 3i2b s HIS 24 Cb -0.09 0.77 0.03 0.00 -0.00 0.00 0.00 32.58 33.30 3i2b s HIS 24 CO 0.20 -1.39 0.14 0.50 -0.00 0.00 0.00 174.74 174.19 3i2b s ARG 25 N -3.19 0.10 -0.21 -0.38 3.52 -1.26 -1.55 118.95 115.97 3i2b s ARG 25 Ca 0.13 0.33 -0.20 0.00 -0.13 0.00 0.00 55.73 55.85 3i2b s ARG 25 Cb -0.06 -0.13 -0.02 0.00 -1.56 0.00 0.00 34.95 33.18 3i2b s ARG 25 CO 0.09 -0.13 0.61 -0.51 -0.81 0.00 0.00 175.30 174.55 3i2b s LEU 26 N 0.93 4.12 -0.28 -0.88 1.43 -0.75 -4.63 118.68 118.62 3i2b s LEU 26 Ca -0.07 0.78 -0.18 0.00 -1.03 0.00 0.00 54.13 53.63 3i2b s LEU 26 Cb -0.09 -2.86 0.09 0.00 0.03 0.00 0.00 46.19 43.36 3i2b s LEU 26 CO -0.05 -0.29 0.75 -0.47 0.23 0.00 0.00 176.35 176.53 3i2b s TYR 27 N 2.02 -0.93 -0.12 0.29 5.04 -1.26 -4.19 117.35 118.21 3i2b s TYR 27 Ca 0.27 1.93 -0.01 0.00 -2.44 0.00 0.00 57.07 56.82 3i2b s TYR 27 Cb -0.16 0.52 -0.02 0.00 0.35 0.00 0.00 41.96 42.65 3i2b s TYR 27 CO 0.10 -0.46 -0.08 0.45 -1.34 0.00 0.00 175.55 174.22 3i2b s SER 28 N 1.32 4.48 0.30 4.32 0.15 -1.26 -4.60 113.70 118.41 3i2b s SER 28 Ca -0.08 -0.17 0.25 0.00 0.70 0.00 0.00 55.95 56.66 3i2b s SER 28 Cb -0.05 -1.53 1.02 0.00 -1.71 0.00 0.00 66.02 63.75 3i2b s SER 28 CO -0.15 0.22 1.76 0.07 1.20 0.00 0.00 173.24 176.34 3i2b h LYS 29 N 6.28 0.00 -0.01 5.44 2.10 -1.98 -2.88 116.57 125.53 3i2b h LYS 29 Ca -0.34 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.31 3i2b h LYS 29 Cb 1.19 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.52 3i2b h LYS 29 CO 0.57 0.00 -0.14 1.19 -2.00 0.00 0.00 179.45 179.08 3i2b n PHE 30 N -2.37 0.00 -4.35 0.07 3.72 -1.26 -4.87 117.46 108.39 3i2b n PHE 30 Ca 0.02 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.15 3i2b n PHE 30 Cb 0.26 -0.10 -0.11 0.00 -0.94 0.00 0.00 39.48 38.59 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 -2.34 2.68 0.98 4.37 1.02 -1.09 -5.13 118.68 119.17 3i2b s LEU 31 Ca 0.30 -0.70 -0.13 0.00 0.02 0.00 0.00 54.13 53.62 3i2b s LEU 31 Cb 0.20 -1.42 0.18 0.00 0.02 0.00 0.00 46.19 45.17 3i2b s LEU 31 CO 0.45 0.13 1.11 -0.94 0.02 0.00 0.00 176.35 177.12 3i2b s SER 32 N -2.61 2.81 0.26 2.29 1.04 -1.26 -4.79 113.70 111.43 3i2b s SER 32 Ca 0.22 1.04 -0.02 0.00 0.48 0.00 0.00 55.95 57.67 3i2b s SER 32 Cb -0.09 -1.64 0.46 0.00 0.10 0.00 0.00 66.02 64.85 3i2b s SER 32 CO 0.12 -3.00 1.82 0.44 0.98 0.00 0.00 173.24 173.60 3i2b h ASP 33 N -1.80 0.76 0.09 7.02 3.32 -1.99 -0.37 116.42 123.45 3i2b h ASP 33 Ca -0.53 0.05 -0.18 0.00 0.02 0.00 0.00 57.03 56.40 3i2b h ASP 33 Cb 1.33 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 40.78 3i2b h ASP 33 CO 0.58 0.42 -0.64 -0.33 -1.72 0.00 0.00 179.24 177.54 3i2b h GLU 34 N 0.86 0.53 -0.19 3.56 3.07 -2.00 -2.40 114.58 118.01 3i2b h GLU 34 Ca 0.44 -0.38 -0.19 0.00 -0.50 0.00 0.00 59.36 58.73 3i2b h GLU 34 Cb 0.42 0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 28.39 3i2b h GLU 34 CO -0.26 1.00 -0.64 0.93 -1.40 0.00 0.00 179.01 178.65 3i2b h GLU 35 N 0.39 0.67 -0.44 2.33 5.08 -1.85 -2.29 114.58 118.47 3i2b h GLU 35 Ca -0.01 -0.47 0.02 0.00 -1.00 0.00 0.00 59.36 57.89 3i2b h GLU 35 Cb 1.21 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.51 3i2b h GLU 35 CO 0.12 1.09 0.26 -0.91 -1.00 0.00 0.00 179.01 178.58 3i2b h ASN 36 N 0.49 0.43 -0.11 1.42 2.35 -1.01 0.44 115.58 119.60 3i2b h ASN 36 Ca -0.01 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.74 3i2b h ASN 36 Cb 1.22 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 39.49 3i2b h ASN 36 CO 0.13 0.31 0.06 0.25 -1.65 0.00 0.00 177.43 176.53 3i2b h LEU 37 N 0.54 0.14 -0.85 1.61 5.85 -1.39 -1.17 115.31 120.03 3i2b h LEU 37 Ca 0.17 -0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.85 3i2b h LEU 37 Cb -0.00 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 40.94 3i2b h LEU 37 CO -0.07 0.17 0.55 0.50 -0.34 0.00 0.00 178.44 179.25 3i2b h LYS 38 N 0.09 1.05 0.08 1.25 3.64 -1.20 0.14 116.57 121.61 3i2b h LYS 38 Ca 0.04 -0.06 -0.15 0.00 -1.27 0.00 0.00 60.65 59.21 3i2b h LYS 38 Cb 0.07 -0.24 0.02 0.00 -0.41 0.00 0.00 32.23 31.67 3i2b h LYS 38 CO -0.01 0.69 -0.63 1.25 -2.27 0.00 0.00 179.45 178.49 3i2b h LEU 39 N 1.08 0.41 0.00 5.20 5.85 -0.81 -3.36 115.31 123.67 3i2b h LEU 39 Ca 0.33 -0.90 0.00 0.00 0.84 0.00 0.00 57.88 58.15 3i2b h LEU 39 Cb -0.02 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 40.88 3i2b h LEU 39 CO -0.11 1.27 -1.13 0.49 -0.34 0.00 0.00 178.44 178.63 3i2b n PHE 40 N -4.23 0.01 0.00 1.25 3.72 -0.45 -5.04 117.46 112.71 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 0.72 -0.08 0.00 0.00 -0.94 0.00 0.00 39.48 39.18 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 1.46 3.16 0.24 1.37 0.00 0.47 -1.88 105.19 110.01 3i2b n GLY 41 Ca 0.03 -0.03 0.09 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.66 116.57 117.13 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 0.17 0.00 0.00 -0.57 0.00 0.00 179.45 179.05 3i2b n ASN 44 N -2.24 1.47 -4.68 0.00 2.85 -0.25 -1.82 115.26 110.59 3i2b n ASN 44 Ca -0.00 -1.60 -0.61 0.00 -0.11 0.00 0.00 54.58 52.26 3i2b n ASN 44 Cb 0.10 -0.06 -0.08 0.00 1.24 0.00 0.00 39.78 40.98 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 0.17 1.47 -0.22 1.20 5.15 -0.46 -4.81 115.26 117.76 3i2b n ASN 45 Ca 0.17 1.14 0.11 0.00 -0.60 0.00 0.00 54.58 55.40 3i2b n ASN 45 Cb 0.32 -1.01 0.40 0.00 -0.53 0.00 0.00 39.78 38.96 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 5.38 0.62 -0.46 1.20 0.11 -1.93 -0.35 132.00 136.57 3i2b h PRO 46 Ca -0.46 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3i2b h PRO 46 Cb 1.36 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3i2b h PRO 46 CO 0.90 0.41 0.00 0.09 -0.21 0.00 0.00 178.00 179.19 3i2b n ASN 47 N -4.52 2.53 0.00 -2.05 3.02 -1.26 -5.04 115.26 107.95 3i2b n ASN 47 Ca 0.15 -1.99 0.00 0.00 -0.03 0.00 0.00 54.58 52.71 3i2b n ASN 47 Cb 0.41 -0.31 0.00 0.00 -0.61 0.00 0.00 39.78 39.27 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 1.26 -2.82 1.34 7.41 0.00 -0.14 -5.02 105.19 107.22 3i2b n GLY 48 Ca 0.16 -1.73 -0.05 0.00 0.00 0.00 0.00 46.02 44.40 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 -0.50 -1.15 -3.95 1.61 1.44 -0.60 -4.88 115.22 107.20 3i2b n HIS 49 Ca 0.00 -0.80 -0.11 0.00 -2.01 0.00 0.00 57.72 54.80 3i2b n HIS 49 Cb 0.00 0.27 -0.02 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 -1.80 0.77 -0.06 -1.39 0.00 -1.26 -1.41 107.32 102.17 3i2b s GLY 50 Ca 0.09 -1.02 -0.16 0.00 0.00 0.00 0.00 44.72 43.63 3i2b s GLY 50 CO 0.06 -0.60 0.37 0.30 0.00 0.00 0.00 173.10 173.24 3i2b s HIS 51 N -3.01 -0.30 -0.86 1.90 3.76 -0.47 -5.00 115.29 111.30 3i2b s HIS 51 Ca 0.22 0.58 -0.22 0.00 -0.15 0.00 0.00 55.06 55.49 3i2b s HIS 51 Cb -0.03 0.14 0.08 0.00 1.11 0.00 0.00 32.58 33.89 3i2b s HIS 51 CO 0.14 -0.36 1.19 -0.80 -0.85 0.00 0.00 174.74 174.06 3i2b s ASN 52 N -0.87 6.42 0.28 1.40 0.01 -1.26 -1.86 114.94 119.06 3i2b s ASN 52 Ca -0.09 -1.42 -0.29 0.00 -0.71 0.00 0.00 52.86 50.34 3i2b s ASN 52 Cb -0.04 -2.47 -0.09 0.00 0.41 0.00 0.00 41.25 39.06 3i2b s ASN 52 CO 0.04 -1.37 1.16 -0.31 -1.51 0.00 0.00 177.10 175.11 3i2b s TYR 53 N 4.02 3.44 -0.09 2.20 1.51 0.47 -4.75 117.35 124.14 3i2b s TYR 53 Ca 0.34 1.59 0.01 0.00 -1.01 0.00 0.00 57.07 58.00 3i2b s TYR 53 Cb -0.07 -3.40 -0.02 0.00 -0.11 0.00 0.00 41.96 38.36 3i2b s TYR 53 CO -0.02 -0.95 -0.11 0.15 -1.11 0.00 0.00 175.55 173.51 3i2b s LYS 54 N -1.32 2.91 -0.10 -0.62 1.02 -0.62 -1.28 119.74 119.73 3i2b s LYS 54 Ca 0.47 -0.64 0.02 0.00 0.02 0.00 0.00 55.97 55.84 3i2b s LYS 54 Cb -0.34 -2.55 0.01 0.00 -0.52 0.00 0.00 37.83 34.44 3i2b s LYS 54 CO 0.43 0.48 -0.16 0.08 -0.92 0.00 0.00 175.35 175.26 3i2b s VAL 55 N -0.35 1.53 -0.24 3.17 1.01 0.50 -0.35 120.40 125.67 3i2b s VAL 55 Ca 0.04 -0.68 -0.04 0.00 0.00 0.00 0.00 61.98 61.30 3i2b s VAL 55 Cb -0.12 -1.38 0.00 0.00 0.00 0.00 0.00 36.38 34.87 3i2b s VAL 55 CO 0.02 0.45 -0.03 -0.69 0.00 0.00 0.00 175.10 174.85 3i2b s VAL 56 N 0.83 3.35 -0.22 2.92 1.01 0.21 -1.11 120.40 127.38 3i2b s VAL 56 Ca -0.10 -0.63 -0.07 0.00 0.00 0.00 0.00 61.98 61.18 3i2b s VAL 56 Cb -0.16 -2.59 -0.03 0.00 0.00 0.00 0.00 36.38 33.61 3i2b s VAL 56 CO 0.01 0.33 0.05 -0.69 0.00 0.00 0.00 175.10 174.79 3i2b s VAL 57 N 1.45 4.25 -0.14 2.92 1.01 -0.23 -0.73 120.40 128.93 3i2b s VAL 57 Ca 0.04 -0.20 -0.00 0.00 0.00 0.00 0.00 61.98 61.82 3i2b s VAL 57 Cb -0.15 -2.96 -0.01 0.00 0.00 0.00 0.00 36.38 33.26 3i2b s VAL 57 CO -0.03 0.39 -0.14 -0.89 0.00 0.00 0.00 175.10 174.43 3i2b s THR 58 N 1.24 2.90 0.28 3.92 2.01 -0.03 -1.60 115.64 124.36 3i2b s THR 58 Ca 0.04 -0.70 0.09 0.00 0.31 0.00 0.00 61.69 61.43 3i2b s THR 58 Cb -0.15 -2.22 -0.04 0.00 0.01 0.00 0.00 72.50 70.10 3i2b s THR 58 CO 0.03 0.52 0.03 0.68 -0.69 0.00 0.00 174.62 175.18 3i2b s VAL 59 N 0.55 3.41 0.07 3.82 -7.23 0.02 -0.94 120.40 120.10 3i2b s VAL 59 Ca -0.09 -1.86 -0.03 0.00 -1.81 0.00 0.00 61.98 58.19 3i2b s VAL 59 Cb -0.16 -2.89 -0.03 0.00 0.56 0.00 0.00 36.38 33.86 3i2b s VAL 59 CO 0.04 -0.34 0.03 -1.38 -0.31 0.00 0.00 175.10 173.14 3i2b s HIS 60 N -2.34 0.49 -5.00 2.82 -3.43 0.31 -0.80 115.29 107.34 3i2b s HIS 60 Ca 0.32 -0.99 0.00 0.00 -0.80 0.00 0.00 55.06 53.59 3i2b s HIS 60 Cb -0.06 -0.33 0.00 0.00 -1.43 0.00 0.00 32.58 30.76 3i2b s HIS 60 CO 0.20 -0.44 0.00 0.41 -2.00 0.00 0.00 174.74 172.92 3i2b n GLY 61 N 0.04 -1.91 3.76 -1.38 0.00 -0.92 -4.64 105.19 100.15 3i2b n GLY 61 Ca -0.13 -1.31 -0.40 0.00 0.00 0.00 0.00 46.02 44.18 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 -1.98 4.57 -0.28 1.61 8.01 -1.26 -1.52 118.70 127.85 3i2b s GLU 62 Ca 0.00 1.82 -0.29 0.00 0.01 0.00 0.00 54.97 56.51 3i2b s GLU 62 Cb 0.00 -3.12 -0.01 0.00 -4.31 0.00 0.00 34.13 26.69 3i2b s GLU 62 CO 0.00 0.14 1.45 0.42 0.01 0.00 0.00 175.26 177.28 3i2b s ILE 63 N -1.20 3.92 -0.07 -1.63 1.01 0.24 -4.28 121.20 119.19 3i2b s ILE 63 Ca 0.46 1.03 -0.29 0.00 0.00 0.00 0.00 60.65 61.85 3i2b s ILE 63 Cb -0.32 -3.97 -0.06 0.00 0.01 0.00 0.00 42.46 38.12 3i2b s ILE 63 CO 0.41 -0.43 1.84 -0.62 0.00 0.00 0.00 174.94 176.14 3i2b s ASP 64 N 3.57 6.38 0.00 3.58 -1.08 0.15 -4.60 116.67 124.67 3i2b s ASP 64 Ca 0.63 2.26 0.17 0.00 -0.52 0.00 0.00 52.55 55.09 3i2b s ASP 64 Cb -0.20 -2.53 1.00 0.00 -1.46 0.00 0.00 42.92 39.73 3i2b s ASP 64 CO 0.27 -1.16 1.44 -0.81 0.52 0.00 0.00 175.17 175.43 3i2b n PRO 65 N 7.58 0.68 -0.12 4.34 -0.04 -1.26 0.17 135.00 146.35 3i2b n PRO 65 Ca 0.20 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.43 3i2b n PRO 65 Cb 0.43 -1.38 -0.11 0.00 -0.04 0.00 0.00 33.50 32.39 3i2b n PRO 65 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i2b n ALA 66 N -0.88 1.24 0.40 0.55 0.00 -1.26 -4.66 120.51 115.90 3i2b n ALA 66 Ca 0.13 -1.00 0.09 0.00 0.00 0.00 0.00 53.44 52.66 3i2b n ALA 66 Cb 0.06 -0.12 -0.12 0.00 0.00 0.00 0.00 19.45 19.26 3i2b n ALA 66 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3i2b n THR 67 N -3.73 0.00 -0.99 0.00 -2.24 -0.98 -4.99 114.28 101.35 3i2b n THR 67 Ca -0.46 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.06 3i2b n THR 67 Cb 0.94 0.53 0.00 0.00 -2.10 0.00 0.00 70.33 69.70 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 1.44 0.26 3.69 3.38 0.00 0.44 -4.97 105.19 109.43 3i2b n GLY 68 Ca -0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.98 2.45 -0.12 1.61 -1.94 -1.25 -4.68 119.30 114.39 3i2b s MET 69 Ca 0.00 -1.27 -0.20 0.00 -1.71 0.00 0.00 55.69 52.51 3i2b s MET 69 Cb 0.00 -2.29 -0.26 0.00 2.01 0.00 0.00 34.83 34.29 3i2b s MET 69 CO 0.00 0.39 0.60 0.28 -0.01 0.00 0.00 175.02 176.29 3i2b h VAL 70 N 1.94 1.24 -3.97 -6.03 2.07 -1.91 0.46 116.25 110.05 3i2b h VAL 70 Ca -0.46 -2.38 -0.11 0.00 0.82 0.00 0.00 66.70 64.57 3i2b h VAL 70 Cb 1.24 2.85 -0.13 0.00 -1.52 0.00 0.00 31.29 33.72 3i2b h VAL 70 CO 0.60 0.63 -0.41 0.00 0.02 0.00 0.00 177.57 178.41 3i2b s MET 71 N -2.40 1.00 -0.18 1.57 0.23 -1.26 -4.84 119.30 113.42 3i2b s MET 71 Ca -0.20 -1.16 -0.34 0.00 -1.03 0.00 0.00 55.69 52.96 3i2b s MET 71 Cb 0.03 0.34 -0.11 0.00 -1.53 0.00 0.00 34.83 33.55 3i2b s MET 71 CO 0.74 -0.34 1.97 0.27 -2.03 0.00 0.00 175.02 175.63 3i2b n ASN 72 N -0.14 3.06 0.06 -1.18 2.04 -1.26 -4.90 115.26 112.94 3i2b n ASN 72 Ca -0.09 0.78 -0.17 0.00 -0.44 0.00 0.00 54.58 54.66 3i2b n ASN 72 Cb 0.63 -1.35 -0.07 0.00 -2.53 0.00 0.00 39.78 36.46 3i2b n ASN 72 CO 0.00 0.00 0.00 -0.07 -0.44 0.00 0.00 177.26 176.75 3i2b h LEU 73 N 10.37 0.71 -1.49 -4.53 -0.00 -1.99 -2.44 115.31 115.94 3i2b h LEU 73 Ca -0.43 -0.57 0.30 0.00 -0.00 0.00 0.00 57.88 57.18 3i2b h LEU 73 Cb 1.28 -0.22 -0.09 0.00 -0.00 0.00 0.00 40.66 41.64 3i2b h LEU 73 CO 0.97 1.37 0.73 0.00 -0.00 0.00 0.00 178.44 181.50 3i2b h ALA 74 N 0.58 2.47 -0.10 1.53 0.00 -1.99 0.13 119.26 121.88 3i2b h ALA 74 Ca -0.10 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 3i2b h ALA 74 Cb 1.63 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.49 3i2b h ALA 74 CO 0.18 -0.89 -0.21 0.38 0.00 0.00 0.00 179.25 178.71 3i2b h ASP 75 N 0.28 0.36 -0.57 0.00 3.04 -1.84 -1.87 116.42 115.82 3i2b h ASP 75 Ca 0.62 -0.56 -0.05 0.00 -3.24 0.00 0.00 57.03 53.79 3i2b h ASP 75 Cb 1.79 -0.10 -0.03 0.00 -1.04 0.00 0.00 39.33 39.95 3i2b h ASP 75 CO -0.26 0.86 0.16 0.25 -2.04 0.00 0.00 179.24 178.21 3i2b h LEU 76 N -0.13 0.88 0.25 0.15 5.85 -0.89 0.45 115.31 121.87 3i2b h LEU 76 Ca 0.00 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.55 3i2b h LEU 76 Cb 0.80 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.60 3i2b h LEU 76 CO 0.05 0.84 -0.12 0.11 -0.34 0.00 0.00 178.44 178.98 3i2b h LYS 77 N 0.90 -0.32 -0.77 1.25 6.56 -0.79 0.64 116.57 124.04 3i2b h LYS 77 Ca 0.20 0.02 0.01 0.00 -1.06 0.00 0.00 60.65 59.82 3i2b h LYS 77 Cb 0.30 0.07 -0.04 0.00 -0.57 0.00 0.00 32.23 32.00 3i2b h LYS 77 CO -0.00 -0.20 0.51 0.87 -2.06 0.00 0.00 179.45 178.57 3i2b h LYS 78 N -0.35 1.01 -0.58 3.15 6.56 -0.97 0.70 116.57 126.09 3i2b h LYS 78 Ca -0.03 -0.06 -0.08 0.00 -1.06 0.00 0.00 60.65 59.41 3i2b h LYS 78 Cb 0.27 -0.23 -0.02 0.00 -0.57 0.00 0.00 32.23 31.68 3i2b h LYS 78 CO 0.06 0.67 0.04 1.88 -2.06 0.00 0.00 179.45 180.03 3i2b h TYR 79 N 1.04 1.09 -0.19 -1.35 0.05 0.50 -1.58 116.97 116.54 3i2b h TYR 79 Ca 0.28 -0.18 -0.19 0.00 0.05 0.00 0.00 58.73 58.70 3i2b h TYR 79 Cb -0.12 -0.29 0.00 0.00 1.01 0.00 0.00 36.73 37.33 3i2b h TYR 79 CO -0.00 0.96 -0.65 0.52 -1.05 0.00 0.00 178.16 177.95 3i2b h MET 80 N 0.90 0.69 -0.87 4.88 2.86 -0.60 0.20 114.93 122.99 3i2b h MET 80 Ca 0.17 -0.49 0.02 0.00 -2.06 0.00 0.00 59.70 57.34 3i2b h MET 80 Cb 0.50 0.08 -0.05 0.00 0.06 0.00 0.00 31.60 32.19 3i2b h MET 80 CO 0.02 1.11 0.56 1.49 1.06 0.00 0.00 176.91 181.16 3i2b h GLU 81 N 0.51 1.08 -0.04 1.72 4.57 -0.70 -0.81 114.58 120.92 3i2b h GLU 81 Ca -0.01 -0.07 -0.23 0.00 -1.18 0.00 0.00 59.36 57.87 3i2b h GLU 81 Cb 1.24 -0.24 0.01 0.00 -0.16 0.00 0.00 28.75 29.59 3i2b h GLU 81 CO 0.13 0.72 -0.92 1.49 -1.18 0.00 0.00 179.01 179.25 3i2b h GLU 82 N 1.12 0.57 0.00 1.92 4.81 -1.07 -0.85 114.58 121.08 3i2b h GLU 82 Ca 0.34 -0.57 0.00 0.00 -0.13 0.00 0.00 59.36 59.00 3i2b h GLU 82 Cb -0.04 0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.48 3i2b h GLU 82 CO -0.10 1.19 -0.92 0.00 -0.73 0.00 0.00 179.01 178.45 3i2b n ALA 83 N -2.58 2.70 0.09 2.92 0.00 0.04 -4.45 120.51 119.22 3i2b n ALA 83 Ca -0.08 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.11 3i2b n ALA 83 Cb 0.82 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 19.16 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 -2.48 0.68 0.16 0.00 5.41 -0.33 -4.80 119.36 118.01 3i2b n ILE 84 Ca 0.01 0.23 -0.14 0.00 1.00 0.00 0.00 62.75 63.85 3i2b n ILE 84 Cb 0.51 -1.10 -0.08 0.00 -0.71 0.00 0.00 39.64 38.26 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 -0.38 -0.18 0.38 2.86 -1.33 -1.85 114.93 114.44 3i2b h MET 85 Ca 0.00 0.03 0.05 0.00 -2.06 0.00 0.00 59.70 57.71 3i2b h MET 85 Cb 0.00 0.09 -0.05 0.00 0.06 0.00 0.00 31.60 31.70 3i2b h MET 85 CO 0.00 -0.11 -0.13 1.96 1.06 0.00 0.00 176.91 179.69 3i2b h GLN 86 N -0.61 -0.13 0.00 1.72 4.20 -1.39 -0.21 115.11 118.69 3i2b h GLN 86 Ca -0.04 0.01 -0.11 0.00 0.06 0.00 0.00 58.65 58.57 3i2b h GLN 86 Cb 0.44 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.23 3i2b h GLN 86 CO 0.07 -0.09 -0.54 -1.00 -0.67 0.00 0.00 178.83 176.60 3i2b h PRO 87 N -0.14 0.00 0.00 1.46 0.13 -1.77 -3.39 132.00 128.29 3i2b h PRO 87 Ca 0.11 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.14 3i2b h PRO 87 Cb 0.29 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.41 3i2b h PRO 87 CO -0.26 0.54 -1.50 1.28 -0.23 0.00 0.00 178.00 177.83 3i2b n LEU 88 N -3.37 0.00 -4.72 1.56 4.77 -0.70 -4.84 117.00 109.70 3i2b n LEU 88 Ca 0.01 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.57 3i2b n LEU 88 Cb 0.68 0.14 -0.03 0.00 -2.33 0.00 0.00 43.42 41.88 3i2b n LEU 88 CO 0.40 0.14 0.86 -0.62 -1.33 0.00 0.00 177.39 176.84 3i2b s ASP 89 N -3.67 7.13 -1.34 -1.43 2.15 -0.11 -2.90 116.67 116.49 3i2b s ASP 89 Ca -0.04 2.03 -0.06 0.00 0.43 0.00 0.00 52.55 54.92 3i2b s ASP 89 Cb 0.03 -2.59 0.02 0.00 -0.30 0.00 0.00 42.92 40.09 3i2b s ASP 89 CO 0.33 -0.40 1.01 1.41 -0.17 0.00 0.00 175.17 177.35 3i2b n HIS 90 N 3.51 -2.42 -4.31 -5.34 8.25 0.27 -4.94 115.22 110.25 3i2b n HIS 90 Ca 0.07 0.94 -0.18 0.00 -0.26 0.00 0.00 57.72 58.30 3i2b n HIS 90 Cb 0.46 -4.74 -0.10 0.00 1.12 0.00 0.00 29.99 26.73 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 -6.06 1.22 -0.34 -0.41 -0.14 -1.14 -5.01 119.74 107.87 3i2b s LYS 91 Ca 0.34 -1.50 -0.18 0.00 -1.36 0.00 0.00 55.97 53.27 3i2b s LYS 91 Cb -0.16 -1.00 -0.01 0.00 -1.68 0.00 0.00 37.83 34.99 3i2b s LYS 91 CO 0.76 0.17 0.53 1.21 -0.76 0.00 0.00 175.35 177.26 3i2b s ASN 92 N -3.12 6.35 0.16 2.83 3.84 -1.26 -1.40 114.94 122.33 3i2b s ASN 92 Ca 0.19 0.07 -0.15 0.00 0.21 0.00 0.00 52.86 53.18 3i2b s ASN 92 Cb -0.01 -2.28 0.04 0.00 -0.55 0.00 0.00 41.25 38.45 3i2b s ASN 92 CO 0.05 -0.47 1.77 -0.07 -2.79 0.00 0.00 177.10 175.58 3i2b h LEU 93 N 9.10 0.60 -0.60 3.21 3.38 -1.32 0.16 115.31 129.85 3i2b h LEU 93 Ca -0.28 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.58 3i2b h LEU 93 Cb 1.12 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.72 3i2b h LEU 93 CO 0.78 0.52 -0.09 0.44 0.09 0.00 0.00 178.44 180.17 3i2b h ASP 94 N 0.63 0.00 0.00 -0.43 3.32 -1.85 -2.76 116.42 115.33 3i2b h ASP 94 Ca 0.17 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.11 3i2b h ASP 94 Cb 0.05 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 3i2b h ASP 94 CO -0.03 0.09 -1.66 0.23 -1.72 0.00 0.00 179.24 176.16 3i2b n MET 95 N -3.15 1.41 -0.01 3.56 2.81 -1.12 -4.40 117.12 116.22 3i2b n MET 95 Ca 0.02 -0.05 0.09 0.00 -1.81 0.00 0.00 57.70 55.95 3i2b n MET 95 Cb 0.47 -1.28 -0.13 0.00 -0.71 0.00 0.00 33.22 31.58 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 -2.19 0.94 -4.16 7.83 8.00 0.56 -4.85 116.55 122.68 3i2b n ASP 96 Ca -0.11 -0.24 -0.37 0.00 0.71 0.00 0.00 54.79 54.78 3i2b n ASP 96 Cb 0.62 1.58 -0.12 0.00 -0.02 0.00 0.00 41.12 43.18 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 -3.05 3.39 0.34 2.53 1.01 -1.04 -4.99 120.40 118.58 3i2b s VAL 97 Ca -0.03 -1.80 0.12 0.00 0.00 0.00 0.00 61.98 60.27 3i2b s VAL 97 Cb 0.12 -3.20 0.33 0.00 0.00 0.00 0.00 36.38 33.62 3i2b s VAL 97 CO 0.72 -0.54 1.72 -0.65 0.00 0.00 0.00 175.10 176.35 3i2b h PRO 98 N 8.10 0.48 -0.91 2.72 0.11 -1.89 -0.29 132.00 140.33 3i2b h PRO 98 Ca -0.16 -0.03 0.19 0.00 0.11 0.00 0.00 66.00 66.11 3i2b h PRO 98 Cb 1.06 -0.11 -0.07 0.00 0.11 0.00 0.00 31.00 31.99 3i2b h PRO 98 CO 0.67 0.32 0.59 -0.92 -0.21 0.00 0.00 178.00 178.46 3i2b h TYR 99 N 0.50 0.65 -0.21 0.65 5.03 -1.94 -0.47 116.97 121.18 3i2b h TYR 99 Ca 0.66 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.99 3i2b h TYR 99 Cb 1.38 -0.20 0.00 0.00 1.55 0.00 0.00 36.73 39.46 3i2b h TYR 99 CO -0.01 0.18 0.00 1.19 -1.32 0.00 0.00 178.16 178.20 3i2b n PHE 100 N -4.55 0.28 -0.33 -3.82 3.72 -0.12 -3.73 117.46 108.91 3i2b n PHE 100 Ca 0.19 -0.14 -0.01 0.00 -0.05 0.00 0.00 57.45 57.45 3i2b n PHE 100 Cb 0.64 0.00 0.12 0.00 -0.94 0.00 0.00 39.48 39.30 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 3.67 1.19 0.00 4.37 0.00 -1.16 -3.26 119.26 124.07 3i2b h ALA 101 Ca 0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 3i2b h ALA 101 Cb 0.36 -0.31 -0.06 0.00 0.00 0.00 0.00 17.79 17.77 3i2b h ALA 101 CO 0.00 0.44 -0.41 -0.25 0.00 0.00 0.00 179.25 179.03 3i2b n ASP 102 N -4.52 1.46 -4.02 0.00 8.00 -1.25 -5.00 116.55 111.23 3i2b n ASP 102 Ca 0.12 -2.91 -0.22 0.00 0.71 0.00 0.00 54.79 52.48 3i2b n ASP 102 Cb 0.09 -0.39 -0.16 0.00 -0.02 0.00 0.00 41.12 40.64 3i2b n ASP 102 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3i2b s VAL 103 N -1.90 0.95 0.14 2.53 1.01 -1.23 -5.02 120.40 116.88 3i2b s VAL 103 Ca 0.27 -0.42 -0.31 0.00 0.00 0.00 0.00 61.98 61.52 3i2b s VAL 103 Cb 0.26 -0.86 -0.09 0.00 0.00 0.00 0.00 36.38 35.70 3i2b s VAL 103 CO -0.04 0.30 1.50 -0.69 0.00 0.00 0.00 175.10 176.17 3i2b s VAL 104 N 0.37 2.90 -0.13 2.92 1.01 -1.26 -4.63 120.40 121.58 3i2b s VAL 104 Ca -0.07 0.64 -0.04 0.00 0.00 0.00 0.00 61.98 62.51 3i2b s VAL 104 Cb -0.12 -3.41 -0.09 0.00 0.00 0.00 0.00 36.38 32.77 3i2b s VAL 104 CO 0.02 0.05 2.90 -1.54 0.00 0.00 0.00 175.10 176.52 3i2b n SER 105 N 3.99 5.65 -4.73 3.32 3.41 -1.26 -4.66 113.62 119.35 3i2b n SER 105 Ca 0.13 -2.68 -0.31 0.00 -0.26 0.00 0.00 58.87 55.75 3i2b n SER 105 Cb 0.40 -1.27 0.12 0.00 -0.26 0.00 0.00 64.21 63.20 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 -0.26 2.77 0.33 6.66 -4.23 -1.26 -4.82 115.64 114.83 3i2b s THR 106 Ca 0.46 0.25 0.01 0.00 -1.18 0.00 0.00 61.69 61.23 3i2b s THR 106 Cb 0.25 -2.54 0.23 0.00 1.34 0.00 0.00 72.50 71.78 3i2b s THR 106 CO -0.04 -0.33 1.96 0.74 -0.54 0.00 0.00 174.62 176.40 3i2b h THR 107 N -1.46 1.19 -0.44 3.99 2.02 -1.99 -0.94 112.91 115.27 3i2b h THR 107 Ca -0.44 -0.45 0.09 0.00 0.77 0.00 0.00 66.41 66.38 3i2b h THR 107 Cb 1.25 0.33 -0.08 0.00 -1.74 0.00 0.00 68.15 67.91 3i2b h THR 107 CO 0.47 0.20 -0.09 -0.33 0.37 0.00 0.00 175.52 176.14 3i2b h GLU 108 N 0.87 0.01 0.00 6.66 3.07 -1.95 -1.29 114.58 121.95 3i2b h GLU 108 Ca 0.22 -0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 58.98 3i2b h GLU 108 Cb 0.01 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.90 3i2b h GLU 108 CO -0.04 0.01 -0.47 -0.91 -1.40 0.00 0.00 179.01 176.20 3i2b h ASN 109 N 0.01 0.00 -0.48 1.42 2.35 -1.56 -2.02 115.58 115.30 3i2b h ASN 109 Ca 0.21 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.86 3i2b h ASN 109 Cb 0.33 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.68 3i2b h ASN 109 CO -0.44 0.47 -0.09 0.58 -1.65 0.00 0.00 177.43 176.30 3i2b h VAL 110 N 0.00 1.27 -0.67 2.81 2.07 -0.84 -1.05 116.25 119.84 3i2b h VAL 110 Ca -0.00 -1.21 -0.04 0.00 0.82 0.00 0.00 66.70 66.27 3i2b h VAL 110 Cb 1.17 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 31.98 3i2b h VAL 110 CO 0.06 0.42 0.27 0.00 0.02 0.00 0.00 177.57 178.34 3i2b h ALA 111 N 0.90 0.87 -0.45 1.67 0.00 -0.88 -1.43 119.26 119.93 3i2b h ALA 111 Ca 0.13 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 3i2b h ALA 111 Cb 0.63 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3i2b h ALA 111 CO 0.04 0.48 -0.07 0.28 0.00 0.00 0.00 179.25 179.98 3i2b h VAL 112 N 0.94 1.27 -0.63 0.00 2.07 -1.31 -1.07 116.25 117.53 3i2b h VAL 112 Ca 0.22 -1.16 0.04 0.00 0.82 0.00 0.00 66.70 66.63 3i2b h VAL 112 Cb 0.20 1.11 -0.04 0.00 -1.52 0.00 0.00 31.29 31.03 3i2b h VAL 112 CO -0.02 0.40 0.37 0.22 0.02 0.00 0.00 177.57 178.56 3i2b h TYR 113 N 0.67 0.69 -0.24 1.57 3.20 -0.91 -0.38 116.97 121.58 3i2b h TYR 113 Ca 0.12 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.99 3i2b h TYR 113 Cb 0.59 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.63 3i2b h TYR 113 CO 0.05 0.37 0.06 0.82 -1.64 0.00 0.00 178.16 177.82 3i2b h ILE 114 N 0.72 1.21 -0.36 1.81 2.04 -1.13 -1.02 117.51 120.79 3i2b h ILE 114 Ca 0.26 -0.68 0.06 0.00 1.00 0.00 0.00 64.86 65.50 3i2b h ILE 114 Cb 0.08 1.20 -0.05 0.00 -0.74 0.00 0.00 36.82 37.31 3i2b h ILE 114 CO -0.13 0.22 0.03 -0.25 0.00 0.00 0.00 178.15 178.01 3i2b h TRP 115 N 0.21 0.03 -0.55 1.37 2.91 -0.76 -0.42 115.95 118.74 3i2b h TRP 115 Ca 0.08 0.02 -0.09 0.00 1.13 0.00 0.00 58.89 60.03 3i2b h TRP 115 Cb 0.28 0.04 -0.02 0.00 -0.51 0.00 0.00 29.16 28.94 3i2b h TRP 115 CO 0.01 -0.04 0.01 -0.44 -1.03 0.00 0.00 178.44 176.95 3i2b h ASP 116 N 0.13 0.92 -0.62 2.65 3.32 -0.95 -0.81 116.42 121.06 3i2b h ASP 116 Ca 0.17 -0.24 -0.08 0.00 0.02 0.00 0.00 57.03 56.90 3i2b h ASP 116 Cb 0.22 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.50 3i2b h ASP 116 CO -0.26 0.97 0.08 0.78 -1.72 0.00 0.00 179.24 179.08 3i2b h ASN 117 N 0.87 1.01 -0.41 6.45 4.21 -0.68 -2.93 115.58 124.12 3i2b h ASN 117 Ca 0.16 -0.25 -0.09 0.00 1.21 0.00 0.00 56.30 57.33 3i2b h ASN 117 Cb 0.50 -0.27 -0.02 0.00 -1.12 0.00 0.00 38.32 37.42 3i2b h ASN 117 CO 0.02 1.02 -0.07 -0.07 -1.29 0.00 0.00 177.43 177.05 3i2b h LEU 118 N 0.98 0.83 -1.20 1.61 3.38 -0.67 -2.83 115.31 117.42 3i2b h LEU 118 Ca 0.19 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3i2b h LEU 118 Cb 0.46 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3i2b h LEU 118 CO 0.02 0.93 0.00 1.56 0.09 0.00 0.00 178.44 181.04 3i2b h GLN 119 N 0.77 0.00 0.00 1.13 1.08 -0.97 0.16 115.11 117.28 3i2b h GLN 119 Ca 0.14 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.30 3i2b h GLN 119 Cb 0.56 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.99 3i2b h GLN 119 CO 0.03 0.00 -0.15 0.87 -0.95 0.00 0.00 178.83 178.64 3i2b h LYS 120 N 0.00 0.00 0.00 1.46 1.57 -1.39 -3.39 116.57 114.82 3i2b h LYS 120 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3i2b h LYS 120 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.59 3i2b h LYS 120 CO 0.00 0.15 -0.99 1.33 -0.57 0.00 0.00 179.45 179.37 3i2b n VAL 121 N -3.24 0.00 -2.19 0.50 0.24 -0.74 -5.01 118.33 107.89 3i2b n VAL 121 Ca 0.01 0.00 -0.38 0.00 -2.04 0.00 0.00 64.34 61.93 3i2b n VAL 121 Cb 0.44 -0.69 -0.01 0.00 -1.47 0.00 0.00 33.84 32.11 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 -4.57 4.06 0.83 1.34 1.43 0.49 -4.99 118.68 117.28 3i2b s LEU 122 Ca 0.00 2.41 -0.13 0.00 -1.03 0.00 0.00 54.13 55.37 3i2b s LEU 122 Cb 0.00 -4.15 0.06 0.00 0.03 0.00 0.00 46.19 42.13 3i2b s LEU 122 CO 0.00 -0.93 0.96 -2.65 0.23 0.00 0.00 176.35 173.96 3i2b n PRO 123 N -0.35 0.04 -1.96 1.29 -0.02 -1.26 -4.78 135.00 127.96 3i2b n PRO 123 Ca 0.06 0.08 -0.41 0.00 -2.02 0.00 0.00 63.50 61.22 3i2b n PRO 123 Cb 0.47 -2.24 -0.02 0.00 -0.02 0.00 0.00 33.50 31.69 3i2b n PRO 123 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3i2b s VAL 124 N -2.20 2.44 0.00 -1.45 1.01 -1.26 -3.40 120.40 115.55 3i2b s VAL 124 Ca 0.69 0.42 0.00 0.00 0.00 0.00 0.00 61.98 63.08 3i2b s VAL 124 Cb -0.28 -3.27 0.00 0.00 0.00 0.00 0.00 36.38 32.83 3i2b s VAL 124 CO 0.56 0.09 0.00 0.61 0.00 0.00 0.00 175.10 176.35 3i2b n GLY 125 N 1.20 1.71 0.10 4.51 0.00 -1.26 -4.89 105.19 106.57 3i2b n GLY 125 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 3i2b n GLY 125 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3i2b h VAL 126 N 0.00 0.80 -3.10 1.61 2.07 -1.82 -3.46 116.25 112.36 3i2b h VAL 126 Ca 0.00 -2.60 -0.54 0.00 0.82 0.00 0.00 66.70 64.38 3i2b h VAL 126 Cb 0.00 2.48 -0.01 0.00 -1.52 0.00 0.00 31.29 32.24 3i2b h VAL 126 CO 0.00 0.65 0.66 -0.22 0.02 0.00 0.00 177.57 178.69 3i2b s LEU 127 N -6.47 4.33 -0.15 2.57 2.96 -1.26 -0.53 118.68 120.12 3i2b s LEU 127 Ca -0.11 1.97 -0.02 0.00 -0.22 0.00 0.00 54.13 55.76 3i2b s LEU 127 Cb 0.07 -3.57 -0.09 0.00 0.50 0.00 0.00 46.19 43.11 3i2b s LEU 127 CO 0.81 -0.56 -0.15 0.00 -1.32 0.00 0.00 176.35 175.13 3i2b n TYR 128 N 4.65 0.00 -3.64 5.38 9.36 -0.11 -4.87 117.16 127.92 3i2b n TYR 128 Ca 0.10 0.00 -0.15 0.00 3.32 0.00 0.00 57.90 61.18 3i2b n TYR 128 Cb 0.46 -0.56 -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 -2.29 0.79 -0.13 2.98 2.20 -0.79 -4.66 119.74 117.84 3i2b s LYS 129 Ca -0.20 0.60 0.01 0.00 -0.36 0.00 0.00 55.97 56.01 3i2b s LYS 129 Cb 0.06 0.38 0.02 0.00 -1.51 0.00 0.00 37.83 36.78 3i2b s LYS 129 CO 0.32 -0.15 -0.14 0.08 -0.36 0.00 0.00 175.35 175.09 3i2b s VAL 130 N -0.21 1.52 -0.14 4.02 1.01 -0.61 -0.85 120.40 125.14 3i2b s VAL 130 Ca -0.04 -0.62 0.02 0.00 0.00 0.00 0.00 61.98 61.34 3i2b s VAL 130 Cb -0.03 -1.41 0.00 0.00 0.00 0.00 0.00 36.38 34.94 3i2b s VAL 130 CO 0.03 0.45 -0.20 -0.75 0.00 0.00 0.00 175.10 174.64 3i2b s LYS 131 N 1.29 3.12 -0.15 2.72 2.20 0.09 -0.96 119.74 128.05 3i2b s LYS 131 Ca 0.00 -0.81 0.02 0.00 -0.36 0.00 0.00 55.97 54.82 3i2b s LYS 131 Cb -0.14 -2.49 0.01 0.00 -1.51 0.00 0.00 37.83 33.71 3i2b s LYS 131 CO -0.07 0.05 -0.21 0.08 -0.36 0.00 0.00 175.35 174.84 3i2b s VAL 132 N 0.69 2.11 -0.38 4.02 1.01 0.22 -0.62 120.40 127.44 3i2b s VAL 132 Ca -0.09 -0.95 -0.15 0.00 0.00 0.00 0.00 61.98 60.79 3i2b s VAL 132 Cb -0.16 -1.86 0.01 0.00 0.00 0.00 0.00 36.38 34.37 3i2b s VAL 132 CO 0.01 0.54 0.35 -0.31 0.00 0.00 0.00 175.10 175.69 3i2b s TYR 133 N 0.97 3.21 0.11 5.22 1.51 0.53 -0.85 117.35 128.05 3i2b s TYR 133 Ca -0.03 -0.32 -0.12 0.00 -1.01 0.00 0.00 57.07 55.59 3i2b s TYR 133 Cb -0.15 -2.68 -0.14 0.00 -0.11 0.00 0.00 41.96 38.89 3i2b s TYR 133 CO -0.05 -0.54 1.32 1.49 -1.11 0.00 0.00 175.55 176.66 3i2b h GLU 134 N 8.59 0.79 -4.89 -0.62 4.81 -1.63 -1.66 114.58 119.97 3i2b h GLU 134 Ca -0.28 -0.63 -0.46 0.00 -0.13 0.00 0.00 59.36 57.86 3i2b h GLU 134 Cb 1.13 0.13 -0.13 0.00 0.63 0.00 0.00 28.75 30.50 3i2b h GLU 134 CO 0.72 1.24 -0.51 0.95 -0.73 0.00 0.00 179.01 180.68 3i2b s THR 135 N -3.79 0.12 0.56 0.32 -4.23 -1.22 -4.57 115.64 102.84 3i2b s THR 135 Ca -0.10 -2.00 0.27 0.00 -1.18 0.00 0.00 61.69 58.68 3i2b s THR 135 Cb 0.09 -2.47 0.37 0.00 1.34 0.00 0.00 72.50 71.83 3i2b s THR 135 CO 0.90 0.00 2.03 0.44 -0.54 0.00 0.00 174.62 177.45 3i2b h ASP 136 N 2.14 0.00 -0.01 3.99 3.32 -1.92 -3.13 116.42 120.81 3i2b h ASP 136 Ca -0.29 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.76 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 0.43 0.00 -0.16 0.59 -1.72 0.00 0.00 179.24 178.38 3i2b n ASN 137 N -4.05 1.70 -3.89 6.45 3.02 -1.26 -4.92 115.26 112.32 3i2b n ASN 137 Ca 0.06 -1.35 -0.29 0.00 -0.03 0.00 0.00 54.58 52.96 3i2b n ASN 137 Cb 0.48 0.27 -0.16 0.00 -0.61 0.00 0.00 39.78 39.76 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 -1.41 3.29 0.02 6.41 0.01 -1.18 -5.10 114.94 116.98 3i2b s ASN 138 Ca 0.13 -0.91 0.04 0.00 -0.71 0.00 0.00 52.86 51.41 3i2b s ASN 138 Cb 0.11 -0.99 -0.02 0.00 0.41 0.00 0.00 41.25 40.76 3i2b s ASN 138 CO 0.26 -0.22 -0.13 -0.63 -1.51 0.00 0.00 177.10 174.86 3i2b s ILE 139 N 1.56 1.06 -0.03 0.60 1.01 -1.26 -1.77 121.20 122.37 3i2b s ILE 139 Ca -0.02 -0.80 0.06 0.00 0.00 0.00 0.00 60.65 59.89 3i2b s ILE 139 Cb -0.17 -0.93 -0.01 0.00 0.01 0.00 0.00 42.46 41.36 3i2b s ILE 139 CO -0.07 0.13 -0.21 -0.69 0.00 0.00 0.00 174.94 174.09 3i2b s VAL 140 N -0.61 1.69 -0.12 2.92 1.01 -0.03 -4.99 120.40 120.27 3i2b s VAL 140 Ca 0.03 -0.90 0.03 0.00 0.00 0.00 0.00 61.98 61.13 3i2b s VAL 140 Cb -0.07 -1.42 0.01 0.00 0.00 0.00 0.00 36.38 34.91 3i2b s VAL 140 CO 0.00 0.48 -0.20 -0.69 0.00 0.00 0.00 175.10 174.69 3i2b s VAL 141 N -0.38 1.89 -0.03 2.92 1.01 -1.26 -0.61 120.40 123.94 3i2b s VAL 141 Ca 0.05 -0.89 0.07 0.00 0.00 0.00 0.00 61.98 61.21 3i2b s VAL 141 Cb -0.09 -1.67 -0.02 0.00 0.00 0.00 0.00 36.38 34.60 3i2b s VAL 141 CO 0.00 0.52 -0.25 -0.47 0.00 0.00 0.00 175.10 174.90 3i2b s TYR 142 N 0.74 2.29 -0.03 5.22 5.04 -0.13 -5.01 117.35 125.46 3i2b s TYR 142 Ca -0.10 -0.54 0.05 0.00 -2.44 0.00 0.00 57.07 54.04 3i2b s TYR 142 Cb -0.16 -1.49 0.08 0.00 0.35 0.00 0.00 41.96 40.74 3i2b s TYR 142 CO 0.01 -0.11 0.93 1.63 -1.34 0.00 0.00 175.55 176.66 3i2b n LYS 143 N 2.67 1.22 -0.23 4.97 5.02 -1.26 -1.58 118.16 128.97 3i2b n LYS 143 Ca -0.17 -1.45 0.00 0.00 -2.02 0.00 0.00 58.31 54.67 3i2b n LYS 143 Cb 0.52 -0.91 0.00 0.00 -0.02 0.00 0.00 35.03 34.61 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 -0.53 0.84 0.86 0.72 0.00 -1.26 -4.90 105.19 100.92 3i2b n GLY 144 Ca 0.04 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.17 3i2b n GLY 144 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50