#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hia s THR 51 N 0.00 4.10 0.00 4.28 2.01 -1.26 -4.86 115.64 119.90 3hia s THR 51 Ca 0.00 -1.27 0.00 0.00 0.31 0.00 0.00 61.69 60.73 3hia s THR 51 Cb 0.00 -3.37 0.00 0.00 0.01 0.00 0.00 72.50 69.14 3hia s THR 51 CO 0.00 -0.24 0.00 0.61 -0.69 0.00 0.00 174.62 174.30 3hia n GLY 52 N -1.37 -1.00 3.72 4.40 0.00 0.53 -4.88 105.19 106.60 3hia n GLY 52 Ca -0.04 -1.43 -0.42 0.00 0.00 0.00 0.00 46.02 44.13 3hia n GLY 52 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3hia s TRP 53 N 0.00 3.02 -0.07 1.61 0.52 -1.26 -0.93 118.94 121.83 3hia s TRP 53 Ca 0.00 0.68 -0.03 0.00 0.02 0.00 0.00 56.10 56.77 3hia s TRP 53 Cb 0.00 -3.93 0.04 0.00 -1.15 0.00 0.00 33.47 28.43 3hia s TRP 53 CO 0.00 -3.37 0.14 0.21 0.02 0.00 0.00 176.95 173.95 3hia s LYS 54 N 0.78 0.02 -0.08 4.98 2.20 0.16 -4.96 119.74 122.85 3hia s LYS 54 Ca 0.68 0.50 -0.20 0.00 -0.36 0.00 0.00 55.97 56.59 3hia s LYS 54 Cb -0.44 -0.29 -0.04 0.00 -1.51 0.00 0.00 37.83 35.54 3hia s LYS 54 CO 0.34 -0.29 0.58 -1.14 -0.36 0.00 0.00 175.35 174.48 3hia s GLN 55 N 2.10 4.37 -0.05 4.03 0.74 -1.26 -1.64 119.66 127.94 3hia s GLN 55 Ca 0.01 0.66 -0.02 0.00 0.05 0.00 0.00 55.36 56.06 3hia s GLN 55 Cb -0.12 -3.42 0.03 0.00 1.10 0.00 0.00 33.01 30.60 3hia s GLN 55 CO -0.05 0.17 0.04 -1.21 -0.55 0.00 0.00 175.29 173.69 3hia s GLU 56 N 0.52 0.11 -1.38 1.67 2.02 0.70 -4.83 118.70 117.50 3hia s GLU 56 Ca 0.31 0.30 -0.05 0.00 0.02 0.00 0.00 54.97 55.55 3hia s GLU 56 Cb -0.17 -0.64 0.03 0.00 0.10 0.00 0.00 34.13 33.45 3hia s GLU 56 CO 0.14 -0.33 0.84 -1.71 0.02 0.00 0.00 175.26 174.23 3hia n ASN 57 N 5.26 -2.72 0.00 -0.19 5.15 -1.26 -1.55 115.26 119.94 3hia n ASN 57 Ca -0.04 -0.78 0.00 0.00 -0.60 0.00 0.00 54.58 53.16 3hia n ASN 57 Cb 0.50 -4.10 0.00 0.00 -0.53 0.00 0.00 39.78 35.65 3hia n ASN 57 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3hia n GLY 58 N -1.62 0.37 3.51 8.20 0.00 -1.26 -5.00 105.19 109.39 3hia n GLY 58 Ca -0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 3hia n GLY 58 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3hia s MET 59 N -0.76 2.76 -0.11 1.61 -1.94 -0.60 -5.09 119.30 115.18 3hia s MET 59 Ca 0.00 -0.62 -0.16 0.00 -1.71 0.00 0.00 55.69 53.20 3hia s MET 59 Cb 0.00 -2.52 -0.05 0.00 2.01 0.00 0.00 34.83 34.27 3hia s MET 59 CO 0.00 0.58 0.41 -1.58 -0.01 0.00 0.00 175.02 174.42 3hia s TRP 60 N -0.61 3.54 0.05 -0.03 0.52 -1.26 -0.21 118.94 120.94 3hia s TRP 60 Ca 0.09 0.82 0.02 0.00 0.02 0.00 0.00 56.10 57.05 3hia s TRP 60 Cb -0.11 -2.43 -0.03 0.00 -1.15 0.00 0.00 33.47 29.74 3hia s TRP 60 CO 0.02 0.29 -0.07 0.71 0.02 0.00 0.00 176.95 177.91 3hia s TYR 61 N 0.23 0.68 -0.24 -1.98 1.51 -0.65 -1.38 117.35 115.52 3hia s TYR 61 Ca 0.23 -0.60 -0.02 0.00 -1.01 0.00 0.00 57.07 55.66 3hia s TYR 61 Cb -0.15 -0.41 0.02 0.00 -0.11 0.00 0.00 41.96 41.31 3hia s TYR 61 CO 0.09 -0.11 -0.07 0.12 -1.11 0.00 0.00 175.55 174.47 3hia s PHE 62 N -1.92 3.01 -0.25 2.71 5.36 -1.26 -0.66 117.98 124.96 3hia s PHE 62 Ca -0.05 -1.38 -0.08 0.00 -0.96 0.00 0.00 56.93 54.46 3hia s PHE 62 Cb -0.06 -2.06 -0.03 0.00 -0.34 0.00 0.00 43.02 40.52 3hia s PHE 62 CO -0.01 -0.68 0.09 0.71 -1.46 0.00 0.00 175.22 173.87 3hia s TYR 63 N 1.37 3.11 0.98 10.12 1.51 -0.10 -0.69 117.35 133.66 3hia s TYR 63 Ca 0.02 -0.30 -0.13 0.00 -1.01 0.00 0.00 57.07 55.65 3hia s TYR 63 Cb -0.16 -2.26 0.18 0.00 -0.11 0.00 0.00 41.96 39.61 3hia s TYR 63 CO -0.05 -0.31 1.12 -0.80 -1.11 0.00 0.00 175.55 174.41 3hia s ASN 64 N 1.61 2.84 0.13 2.29 0.01 0.31 -0.35 114.94 121.79 3hia s ASN 64 Ca 0.06 0.98 -0.19 0.00 -0.71 0.00 0.00 52.86 53.01 3hia s ASN 64 Cb -0.15 -1.54 -0.02 0.00 0.41 0.00 0.00 41.25 39.94 3hia s ASN 64 CO 0.05 -2.97 1.75 0.74 -1.51 0.00 0.00 177.10 175.16 3hia h THR 65 N -1.79 0.95 0.00 1.60 2.02 -1.95 -2.44 112.91 111.30 3hia h THR 65 Ca -0.52 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 66.59 3hia h THR 65 Cb 1.33 0.72 0.00 0.00 -1.74 0.00 0.00 68.15 68.46 3hia h THR 65 CO 0.57 0.04 0.00 -2.24 0.37 0.00 0.00 175.52 174.26 3hia h ASP 66 N 0.21 0.00 0.00 4.18 2.03 -1.99 -3.45 116.42 117.39 3hia h ASP 66 Ca 0.10 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.40 3hia h ASP 66 Cb 0.06 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.56 3hia h ASP 66 CO -0.10 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 178.72 3hia n GLY 67 N -1.00 1.23 3.75 7.15 0.00 -0.92 -5.11 105.19 110.28 3hia n GLY 67 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 3hia n GLY 67 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hia s SER 68 N -1.26 4.78 -0.23 1.61 1.04 -1.26 -4.59 113.70 113.79 3hia s SER 68 Ca 0.00 2.21 -0.18 0.00 0.48 0.00 0.00 55.95 58.47 3hia s SER 68 Cb 0.00 -2.58 -0.03 0.00 0.10 0.00 0.00 66.02 63.51 3hia s SER 68 CO 0.00 -1.86 0.49 -0.32 0.98 0.00 0.00 173.24 172.53 3hia s MET 69 N -3.85 4.13 0.50 4.02 1.75 -1.26 -0.53 119.30 124.06 3hia s MET 69 Ca 0.72 0.33 -0.23 0.00 -1.25 0.00 0.00 55.69 55.25 3hia s MET 69 Cb -0.26 -3.60 -0.07 0.00 2.84 0.00 0.00 34.83 33.75 3hia s MET 69 CO 0.41 -0.22 1.29 0.00 -0.65 0.00 0.00 175.02 175.85 3hia n ALA 70 N 5.06 1.36 -2.38 4.11 0.00 0.14 -4.93 120.51 123.87 3hia n ALA 70 Ca -0.05 0.18 -0.19 0.00 0.00 0.00 0.00 53.44 53.37 3hia n ALA 70 Cb 0.50 -2.30 -0.10 0.00 0.00 0.00 0.00 19.45 17.55 3hia n ALA 70 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3hia s THR 71 N -1.27 0.75 0.00 0.00 -4.23 -1.26 -4.61 115.64 105.01 3hia s THR 71 Ca 0.67 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.18 3hia s THR 71 Cb -0.45 -2.66 0.00 0.00 1.34 0.00 0.00 72.50 70.73 3hia s THR 71 CO 0.53 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.22 3hia n GLY 72 N -0.58 -1.46 3.72 3.99 0.00 -0.99 -4.80 105.19 105.08 3hia n GLY 72 Ca -0.01 -1.35 -0.42 0.00 0.00 0.00 0.00 46.02 44.25 3hia n GLY 72 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3hia s TRP 73 N 0.00 3.32 -0.05 1.61 0.52 -1.26 -0.82 118.94 122.26 3hia s TRP 73 Ca 0.00 1.15 0.04 0.00 0.02 0.00 0.00 56.10 57.31 3hia s TRP 73 Cb 0.00 -3.57 -0.00 0.00 -1.15 0.00 0.00 33.47 28.75 3hia s TRP 73 CO 0.00 -1.87 -0.17 0.08 0.02 0.00 0.00 176.95 175.01 3hia s VAL 74 N 0.76 1.44 -0.26 4.03 1.01 -0.18 -4.97 120.40 122.23 3hia s VAL 74 Ca 0.60 -0.71 -0.10 0.00 0.00 0.00 0.00 61.98 61.77 3hia s VAL 74 Cb -0.34 -1.25 -0.05 0.00 0.00 0.00 0.00 36.38 34.74 3hia s VAL 74 CO 0.32 0.42 0.16 -1.58 0.00 0.00 0.00 175.10 174.42 3hia s GLN 75 N 0.14 3.94 -0.16 2.72 0.74 -1.26 0.40 119.66 126.18 3hia s GLN 75 Ca -0.06 -0.33 -0.00 0.00 0.05 0.00 0.00 55.36 55.01 3hia s GLN 75 Cb -0.12 -3.55 0.04 0.00 1.10 0.00 0.00 33.01 30.48 3hia s GLN 75 CO 0.03 -0.09 -0.05 0.08 -0.55 0.00 0.00 175.29 174.70 3hia s VAL 76 N 1.46 1.11 -1.64 1.34 1.01 -0.33 -4.81 120.40 118.54 3hia s VAL 76 Ca 0.07 -0.60 -0.02 0.00 0.00 0.00 0.00 61.98 61.42 3hia s VAL 76 Cb -0.15 -1.27 0.01 0.00 0.00 0.00 0.00 36.38 34.97 3hia s VAL 76 CO 0.07 0.15 0.27 0.59 0.00 0.00 0.00 175.10 176.19 3hia n ASN 77 N 4.88 -5.83 0.00 3.32 3.02 -1.26 -2.46 115.26 116.93 3hia n ASN 77 Ca -0.12 -0.13 0.00 0.00 -0.03 0.00 0.00 54.58 54.30 3hia n ASN 77 Cb 0.48 -4.79 0.00 0.00 -0.61 0.00 0.00 39.78 34.86 3hia n ASN 77 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hia n GLY 78 N -1.22 3.08 3.82 7.41 0.00 -1.26 -5.05 105.19 111.96 3hia n GLY 78 Ca -0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.49 3hia n GLY 78 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hia s SER 79 N 0.64 7.02 0.01 1.61 0.01 -1.03 -5.06 113.70 116.90 3hia s SER 79 Ca 0.00 1.48 -0.11 0.00 1.31 0.00 0.00 55.95 58.63 3hia s SER 79 Cb 0.00 -2.45 -0.05 0.00 0.21 0.00 0.00 66.02 63.73 3hia s SER 79 CO 0.00 -0.09 0.35 0.26 0.41 0.00 0.00 173.24 174.18 3hia s TRP 80 N -1.72 3.65 0.17 2.43 0.52 -1.26 -1.19 118.94 121.53 3hia s TRP 80 Ca 0.49 0.81 0.06 0.00 0.02 0.00 0.00 56.10 57.49 3hia s TRP 80 Cb -0.15 -2.16 -0.04 0.00 -1.15 0.00 0.00 33.47 29.97 3hia s TRP 80 CO 0.20 0.61 -0.13 0.71 0.02 0.00 0.00 176.95 178.36 3hia s TYR 81 N -1.20 1.50 -0.10 -1.98 1.51 0.16 -0.42 117.35 116.81 3hia s TYR 81 Ca 0.26 -0.63 0.03 0.00 -1.01 0.00 0.00 57.07 55.72 3hia s TYR 81 Cb -0.15 -0.73 0.01 0.00 -0.11 0.00 0.00 41.96 40.98 3hia s TYR 81 CO 0.14 0.22 -0.20 -0.47 -1.11 0.00 0.00 175.55 174.13 3hia s TYR 82 N -2.93 2.29 -0.03 2.71 5.04 -1.26 -1.01 117.35 122.16 3hia s TYR 82 Ca 0.18 -1.00 -0.00 0.00 -2.44 0.00 0.00 57.07 53.81 3hia s TYR 82 Cb -0.00 -1.57 -0.04 0.00 0.35 0.00 0.00 41.96 40.70 3hia s TYR 82 CO 0.04 -0.44 0.03 -0.51 -1.34 0.00 0.00 175.55 173.33 3hia s LEU 83 N 0.59 3.68 0.81 6.97 1.43 0.00 -1.39 118.68 130.77 3hia s LEU 83 Ca -0.14 0.10 -0.11 0.00 -1.03 0.00 0.00 54.13 52.95 3hia s LEU 83 Cb -0.17 -2.04 0.08 0.00 0.03 0.00 0.00 46.19 44.10 3hia s LEU 83 CO 0.04 0.31 1.09 0.20 0.23 0.00 0.00 176.35 178.22 3hia s ASN 84 N -1.39 4.24 0.14 2.29 0.01 -0.26 -2.33 114.94 117.63 3hia s ASN 84 Ca 0.18 1.53 0.10 0.00 -0.71 0.00 0.00 52.86 53.97 3hia s ASN 84 Cb -0.12 -2.26 0.52 0.00 0.41 0.00 0.00 41.25 39.81 3hia s ASN 84 CO 0.09 -2.16 1.31 -1.54 -1.51 0.00 0.00 177.10 173.28 3hia n SER 85 N -3.58 0.24 -1.56 -1.22 3.41 -1.26 -0.39 113.62 109.26 3hia n SER 85 Ca 0.08 0.61 0.10 0.00 -0.26 0.00 0.00 58.87 59.39 3hia n SER 85 Cb 0.55 -0.64 0.36 0.00 -0.26 0.00 0.00 64.21 64.21 3hia n SER 85 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3hia n ASN 86 N -1.83 4.62 0.00 4.04 0.23 -1.26 -4.94 115.26 116.12 3hia n ASN 86 Ca -0.00 -2.35 0.00 0.00 -0.53 0.00 0.00 54.58 51.69 3hia n ASN 86 Cb 0.03 -0.57 0.00 0.00 -2.08 0.00 0.00 39.78 37.16 3hia n ASN 86 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3hia n GLY 87 N 1.27 2.97 3.77 4.83 0.00 0.47 -5.01 105.19 113.50 3hia n GLY 87 Ca 0.26 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.88 3hia n GLY 87 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hia s SER 88 N -1.68 6.88 0.09 1.61 1.04 -1.26 -4.47 113.70 115.91 3hia s SER 88 Ca 0.00 2.49 -0.31 0.00 0.48 0.00 0.00 55.95 58.61 3hia s SER 88 Cb 0.00 -2.64 -0.07 0.00 0.10 0.00 0.00 66.02 63.41 3hia s SER 88 CO 0.00 -0.44 1.34 -0.32 0.98 0.00 0.00 173.24 174.81 3hia s MET 89 N -1.78 4.34 0.44 4.02 1.75 -0.48 -1.10 119.30 126.49 3hia s MET 89 Ca 0.49 1.99 -0.24 0.00 -1.25 0.00 0.00 55.69 56.68 3hia s MET 89 Cb -0.35 -3.30 -0.08 0.00 2.84 0.00 0.00 34.83 33.94 3hia s MET 89 CO 0.46 -0.40 1.19 0.15 -0.65 0.00 0.00 175.02 175.77 3hia s LYS 90 N 1.20 3.85 -0.00 4.11 1.02 -0.49 -4.85 119.74 124.58 3hia s LYS 90 Ca 0.63 1.86 -0.06 0.00 0.02 0.00 0.00 55.97 58.42 3hia s LYS 90 Cb -0.35 -2.53 0.00 0.00 -0.52 0.00 0.00 37.83 34.44 3hia s LYS 90 CO 0.30 -0.50 0.12 0.14 -0.92 0.00 0.00 175.35 174.49 3hia s VAL 91 N -1.46 0.08 -1.17 3.17 -7.23 -1.26 -4.60 120.40 107.92 3hia s VAL 91 Ca 0.61 -0.63 -0.14 0.00 -1.81 0.00 0.00 61.98 60.02 3hia s VAL 91 Cb -0.31 -0.39 -0.02 0.00 0.56 0.00 0.00 36.38 36.22 3hia s VAL 91 CO 0.38 -0.34 0.77 -3.20 -0.31 0.00 0.00 175.10 172.40 3hia n ASN 92 N 1.64 -4.46 0.00 4.85 5.15 -0.26 -4.92 115.26 117.26 3hia n ASN 92 Ca -0.22 -0.94 0.00 0.00 -0.60 0.00 0.00 54.58 52.83 3hia n ASN 92 Cb 0.56 -3.74 0.00 0.00 -0.53 0.00 0.00 39.78 36.06 3hia n ASN 92 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3hia n GLN 93 N -4.07 0.00 -3.95 1.20 10.64 -0.60 -4.95 117.38 115.64 3hia n GLN 93 Ca -0.14 0.00 -0.36 0.00 -1.83 0.00 0.00 57.00 54.67 3hia n GLN 93 Cb 0.62 0.00 -0.08 0.00 -0.86 0.00 0.00 30.24 29.92 3hia n GLN 93 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.06 173.65 3hia s TRP 94 N -2.00 3.40 0.12 2.61 0.52 -1.26 -1.15 118.94 121.18 3hia s TRP 94 Ca 0.00 0.32 -0.00 0.00 0.02 0.00 0.00 56.10 56.44 3hia s TRP 94 Cb 0.00 -2.00 -0.04 0.00 -1.15 0.00 0.00 33.47 30.28 3hia s TRP 94 CO 0.00 0.45 0.01 -0.59 0.02 0.00 0.00 176.95 176.84 3hia s PHE 95 N -0.34 0.88 -0.24 -1.98 -0.71 0.74 -4.96 117.98 111.37 3hia s PHE 95 Ca 0.10 -1.11 -0.03 0.00 -1.04 0.00 0.00 56.93 54.85 3hia s PHE 95 Cb -0.12 -0.52 0.01 0.00 -1.21 0.00 0.00 43.02 41.19 3hia s PHE 95 CO 0.01 -0.38 -0.05 -1.14 -1.34 0.00 0.00 175.22 172.32 3hia s GLN 96 N -3.97 3.08 -0.01 1.99 0.74 -1.26 -1.71 119.66 118.52 3hia s GLN 96 Ca 0.19 -0.82 0.02 0.00 0.05 0.00 0.00 55.36 54.80 3hia s GLN 96 Cb 0.07 -3.00 -0.00 0.00 1.10 0.00 0.00 33.01 31.18 3hia s GLN 96 CO -0.01 -0.31 -0.07 0.14 -0.55 0.00 0.00 175.29 174.48 3hia s VAL 97 N 1.40 0.60 -2.02 1.34 -7.23 -1.04 -4.82 120.40 108.63 3hia s VAL 97 Ca 0.03 -0.32 0.00 0.00 -1.81 0.00 0.00 61.98 59.88 3hia s VAL 97 Cb -0.15 -0.51 0.00 0.00 0.56 0.00 0.00 36.38 36.28 3hia s VAL 97 CO -0.04 0.17 0.00 0.61 -0.31 0.00 0.00 175.10 175.53 3hia n GLY 98 N 2.93 1.31 2.28 2.32 0.00 -1.26 -2.10 105.19 110.66 3hia n GLY 98 Ca -0.14 -0.05 -0.04 0.00 0.00 0.00 0.00 46.02 45.80 3hia n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hia n GLY 99 N -0.64 0.67 3.44 -0.02 0.00 -1.26 -5.03 105.19 102.35 3hia n GLY 99 Ca -0.21 -0.39 -0.30 0.00 0.00 0.00 0.00 46.02 45.11 3hia n GLY 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hia s LYS 100 N -1.77 1.96 -0.12 1.61 -0.14 -0.89 -5.13 119.74 115.26 3hia s LYS 100 Ca 0.00 -1.04 -0.11 0.00 -1.36 0.00 0.00 55.97 53.45 3hia s LYS 100 Cb 0.00 -2.13 -0.05 0.00 -1.68 0.00 0.00 37.83 33.97 3hia s LYS 100 CO 0.00 0.52 0.24 -1.58 -0.76 0.00 0.00 175.35 173.78 3hia s TRP 101 N -0.94 3.56 0.08 3.18 0.52 -1.26 -2.49 118.94 121.59 3hia s TRP 101 Ca 0.14 0.62 0.03 0.00 0.02 0.00 0.00 56.10 56.92 3hia s TRP 101 Cb -0.10 -2.17 -0.03 0.00 -1.15 0.00 0.00 33.47 30.02 3hia s TRP 101 CO 0.05 0.50 -0.10 0.71 0.02 0.00 0.00 176.95 178.14 3hia s TYR 102 N -0.38 0.95 -0.06 -1.98 1.51 -0.69 -4.24 117.35 112.46 3hia s TYR 102 Ca 0.16 -0.61 0.02 0.00 -1.01 0.00 0.00 57.07 55.63 3hia s TYR 102 Cb -0.13 -0.54 0.02 0.00 -0.11 0.00 0.00 41.96 41.20 3hia s TYR 102 CO 0.05 -0.03 -0.09 -0.47 -1.11 0.00 0.00 175.55 173.89 3hia s TYR 103 N -2.10 1.23 -0.02 2.71 6.14 -1.26 -0.19 117.35 123.86 3hia s TYR 103 Ca 0.01 -0.44 0.07 0.00 0.64 0.00 0.00 57.07 57.34 3hia s TYR 103 Cb -0.05 -0.95 -0.02 0.00 0.42 0.00 0.00 41.96 41.35 3hia s TYR 103 CO -0.00 -0.27 -0.22 0.14 0.64 0.00 0.00 175.55 175.84 3hia s VAL 104 N 0.82 2.38 0.04 3.14 -7.23 -0.30 -1.52 120.40 117.73 3hia s VAL 104 Ca -0.12 -1.02 -0.01 0.00 -1.81 0.00 0.00 61.98 59.02 3hia s VAL 104 Cb -0.15 -1.87 0.01 0.00 0.56 0.00 0.00 36.38 34.93 3hia s VAL 104 CO 0.02 0.56 0.06 -0.46 -0.31 0.00 0.00 175.10 174.96 3hia n ASN 105 N 2.31 0.02 0.24 4.85 6.94 -0.61 -1.56 115.26 127.45 3hia n ASN 105 Ca -0.16 -1.03 0.06 0.00 -0.02 0.00 0.00 54.58 53.43 3hia n ASN 105 Cb 0.51 -0.04 0.56 0.00 -2.36 0.00 0.00 39.78 38.45 3hia n ASN 105 CO 0.00 0.00 0.00 0.71 -1.03 0.00 0.00 177.26 176.94 3hia h THR 106 N -0.88 1.07 0.00 5.53 1.35 -1.91 0.75 112.91 118.82 3hia h THR 106 Ca -0.02 -0.40 0.00 0.00 -0.55 0.00 0.00 66.41 65.44 3hia h THR 106 Cb 0.06 1.22 0.00 0.00 -1.73 0.00 0.00 68.15 67.69 3hia h THR 106 CO 0.01 0.11 -0.06 -1.20 -0.25 0.00 0.00 175.52 174.14 3hia n SER 107 N -4.39 0.21 0.00 5.36 7.64 -1.26 -4.74 113.62 116.45 3hia n SER 107 Ca -0.03 0.44 0.00 0.00 1.01 0.00 0.00 58.87 60.29 3hia n SER 107 Cb 0.19 -0.47 0.00 0.00 -1.01 0.00 0.00 64.21 62.92 3hia n SER 107 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hia n GLY 108 N 1.46 0.83 3.77 0.23 0.00 0.09 -5.05 105.19 106.53 3hia n GLY 108 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 3hia n GLY 108 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3hia s GLU 109 N -0.71 4.31 -0.08 1.61 -1.05 -1.26 -4.40 118.70 117.11 3hia s GLU 109 Ca 0.00 2.09 -0.30 0.00 -0.15 0.00 0.00 54.97 56.61 3hia s GLU 109 Cb 0.00 -2.99 -0.03 0.00 -0.44 0.00 0.00 34.13 30.67 3hia s GLU 109 CO 0.00 -0.18 1.19 -1.17 0.95 0.00 0.00 175.26 176.05 3hia s LEU 110 N -1.92 4.26 0.09 1.83 2.96 0.44 -1.57 118.68 124.77 3hia s LEU 110 Ca 0.50 1.77 -0.31 0.00 -0.22 0.00 0.00 54.13 55.87 3hia s LEU 110 Cb -0.37 -3.55 -0.07 0.00 0.50 0.00 0.00 46.19 42.70 3hia s LEU 110 CO 0.48 -0.60 1.26 0.00 -1.32 0.00 0.00 176.35 176.17 3hia s ALA 111 N 2.42 3.46 0.03 5.97 0.00 -0.57 -4.64 121.76 128.43 3hia s ALA 111 Ca 0.55 0.95 0.02 0.00 0.00 0.00 0.00 51.96 53.48 3hia s ALA 111 Cb -0.24 -3.47 -0.02 0.00 0.00 0.00 0.00 23.12 19.39 3hia s ALA 111 CO 0.20 -0.49 -0.06 0.14 0.00 0.00 0.00 175.76 175.55 3hia s VAL 112 N 0.95 0.40 -1.54 0.00 -7.23 -1.26 -4.62 120.40 107.10 3hia s VAL 112 Ca 0.60 -0.87 -0.11 0.00 -1.81 0.00 0.00 61.98 59.78 3hia s VAL 112 Cb -0.32 -0.47 0.08 0.00 0.56 0.00 0.00 36.38 36.23 3hia s VAL 112 CO 0.30 -0.32 0.77 0.59 -0.31 0.00 0.00 175.10 176.14 3hia n ASN 113 N 1.77 -3.01 0.00 4.85 4.13 -0.79 -4.95 115.26 117.26 3hia n ASN 113 Ca -0.21 -0.91 0.00 0.00 1.68 0.00 0.00 54.58 55.14 3hia n ASN 113 Cb 0.55 -3.36 0.00 0.00 -1.54 0.00 0.00 39.78 35.44 3hia n ASN 113 CO 0.00 0.00 0.00 0.41 0.28 0.00 0.00 177.26 177.95 3hia n THR 114 N -4.49 0.00 -4.26 3.41 -1.04 -1.18 -4.97 114.28 101.76 3hia n THR 114 Ca -0.05 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.81 3hia n THR 114 Cb 0.56 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.97 3hia n THR 114 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3hia s SER 115 N 1.25 1.65 0.00 8.00 1.04 -1.26 -2.66 113.70 121.72 3hia s SER 115 Ca 0.00 -1.07 0.00 0.00 0.48 0.00 0.00 55.95 55.36 3hia s SER 115 Cb 0.00 0.02 0.00 0.00 0.10 0.00 0.00 66.02 66.14 3hia s SER 115 CO 0.00 -0.41 0.00 -1.22 0.98 0.00 0.00 173.24 172.59 3hia n TYR 119 N -0.23 0.00 -1.61 5.02 4.01 -1.26 -4.96 117.16 118.14 3hia n TYR 119 Ca -0.09 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.35 3hia n TYR 119 Cb 0.62 0.00 0.08 0.00 -0.31 0.00 0.00 39.34 39.73 3hia n TYR 119 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 3hia s ARG 120 N 0.00 2.20 -0.10 -0.72 3.52 -1.26 -5.08 118.95 117.51 3hia s ARG 120 Ca 0.00 0.60 -0.21 0.00 -0.13 0.00 0.00 55.73 56.00 3hia s ARG 120 Cb 0.00 -1.93 0.05 0.00 -1.56 0.00 0.00 34.95 31.50 3hia s ARG 120 CO 0.00 -1.53 0.50 0.54 -0.81 0.00 0.00 175.30 174.00 3hia s VAL 121 N -3.19 0.02 0.00 7.11 0.11 -1.09 -4.90 120.40 118.46 3hia s VAL 121 Ca 0.60 -0.15 0.00 0.00 -2.93 0.00 0.00 61.98 59.50 3hia s VAL 121 Cb -0.14 -0.77 0.00 0.00 -1.53 0.00 0.00 36.38 33.95 3hia s VAL 121 CO 0.54 -0.08 0.00 -0.46 -3.33 0.00 0.00 175.10 171.77 3hia n ASN 122 N 1.80 0.26 0.13 3.54 0.23 -1.26 -2.04 115.26 117.92 3hia n ASN 122 Ca -0.18 0.00 0.02 0.00 -0.53 0.00 0.00 54.58 53.90 3hia n ASN 122 Cb 0.56 0.00 0.38 0.00 -2.08 0.00 0.00 39.78 38.64 3hia n ASN 122 CO 0.00 0.00 0.00 -0.78 -0.93 0.00 0.00 177.26 175.55 3hia h ASP 123 N 0.00 0.19 1.47 0.53 3.58 -1.97 -1.77 116.42 118.45 3hia h ASP 123 Ca 0.00 -0.04 -0.03 0.00 0.42 0.00 0.00 57.03 57.38 3hia h ASP 123 Cb 0.00 -0.05 -0.00 0.00 1.72 0.00 0.00 39.33 41.00 3hia h ASP 123 CO 0.00 0.39 -0.54 0.78 -2.88 0.00 0.00 179.24 176.99 3hia h ASN 124 N 0.18 0.00 0.00 2.28 2.35 -1.96 -3.47 115.58 114.96 3hia h ASN 124 Ca 0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 3hia h ASN 124 Cb 0.45 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.82 3hia h ASN 124 CO 0.03 0.11 0.00 0.61 -1.65 0.00 0.00 177.43 176.53 3hia n GLY 125 N 1.17 0.65 0.07 2.83 0.00 -0.73 -5.03 105.19 104.14 3hia n GLY 125 Ca 0.01 -0.71 0.16 0.00 0.00 0.00 0.00 46.02 45.48 3hia n GLY 125 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50