#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hia s THR 50 N 0.00 4.41 0.45 0.58 -4.23 -1.26 -5.04 115.64 110.54 3hia s THR 50 Ca 0.00 1.48 0.03 0.00 -1.18 0.00 0.00 61.69 62.02 3hia s THR 50 Cb 0.00 -3.79 -0.02 0.00 1.34 0.00 0.00 72.50 70.03 3hia s THR 50 CO 0.00 -0.04 0.08 0.42 -0.54 0.00 0.00 174.62 174.54 3hia s THR 51 N -1.83 0.85 0.00 3.99 -4.23 -1.26 -4.94 115.64 108.22 3hia s THR 51 Ca 0.53 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.04 3hia s THR 51 Cb -0.14 -2.30 0.00 0.00 1.34 0.00 0.00 72.50 71.40 3hia s THR 51 CO 0.19 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.88 3hia n GLY 52 N -1.05 -1.92 3.71 3.99 0.00 -0.09 -4.83 105.19 105.01 3hia n GLY 52 Ca -0.11 -1.52 -0.42 0.00 0.00 0.00 0.00 46.02 43.97 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 2.68 -0.03 1.61 0.52 -1.26 -0.59 118.94 121.87 3hia s TRP 53 Ca 0.00 0.34 0.01 0.00 0.02 0.00 0.00 56.10 56.46 3hia s TRP 53 Cb 0.00 -4.05 0.02 0.00 -1.15 0.00 0.00 33.47 28.29 3hia s TRP 53 CO 0.00 -4.09 -0.02 0.21 0.02 0.00 0.00 176.95 173.07 3hia s LYS 54 N 1.82 0.40 -0.25 4.98 2.47 0.35 -4.96 119.74 124.54 3hia s LYS 54 Ca 0.75 -0.00 -0.16 0.00 -1.56 0.00 0.00 55.97 55.00 3hia s LYS 54 Cb -0.45 -0.51 -0.03 0.00 -1.46 0.00 0.00 37.83 35.38 3hia s LYS 54 CO 0.33 -0.08 0.42 -1.14 0.16 0.00 0.00 175.35 175.04 3hia s GLN 55 N 0.77 4.06 -0.11 4.03 0.74 -1.26 -0.25 119.66 127.64 3hia s GLN 55 Ca -0.08 0.16 -0.02 0.00 0.05 0.00 0.00 55.36 55.47 3hia s GLN 55 Cb -0.11 -3.63 0.04 0.00 1.10 0.00 0.00 33.01 30.40 3hia s GLN 55 CO -0.01 -0.26 0.03 -1.21 -0.55 0.00 0.00 175.29 173.29 3hia s GLU 56 N 2.01 0.49 -1.35 1.67 2.02 0.11 -4.83 118.70 118.83 3hia s GLU 56 Ca 0.18 -0.02 -0.07 0.00 0.02 0.00 0.00 54.97 55.08 3hia s GLU 56 Cb -0.16 -1.30 0.02 0.00 0.10 0.00 0.00 34.13 32.79 3hia s GLU 56 CO 0.09 -0.43 1.04 0.09 0.02 0.00 0.00 175.26 176.07 3hia n ASN 57 N 5.15 -4.33 0.00 -0.19 3.02 -1.26 -2.47 115.26 115.18 3hia n ASN 57 Ca -0.07 -0.64 0.00 0.00 -0.03 0.00 0.00 54.58 53.84 3hia n ASN 57 Cb 0.49 -4.71 0.00 0.00 -0.61 0.00 0.00 39.78 34.95 3hia n ASN 57 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hia n GLY 58 N -1.68 0.48 3.32 7.41 0.00 -1.26 -5.02 105.19 108.44 3hia n GLY 58 Ca -0.10 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.35 1.22 -0.16 1.61 -1.94 -1.03 -5.13 119.30 113.52 3hia s MET 59 Ca 0.00 -1.26 -0.14 0.00 -1.71 0.00 0.00 55.69 52.58 3hia s MET 59 Cb 0.00 -1.49 -0.05 0.00 2.01 0.00 0.00 34.83 35.30 3hia s MET 59 CO 0.00 0.34 0.31 -1.58 -0.01 0.00 0.00 175.02 174.08 3hia s TRP 60 N -1.33 3.46 0.17 -0.03 0.52 -1.26 0.08 118.94 120.55 3hia s TRP 60 Ca 0.10 0.61 0.08 0.00 0.02 0.00 0.00 56.10 56.92 3hia s TRP 60 Cb -0.09 -2.36 -0.04 0.00 -1.15 0.00 0.00 33.47 29.82 3hia s TRP 60 CO 0.05 0.22 -0.17 0.71 0.02 0.00 0.00 176.95 177.78 3hia s TYR 61 N 0.52 1.79 -0.13 -1.98 1.51 0.65 -0.83 117.35 118.88 3hia s TYR 61 Ca 0.17 -0.49 0.02 0.00 -1.01 0.00 0.00 57.07 55.77 3hia s TYR 61 Cb -0.13 -0.88 0.00 0.00 -0.11 0.00 0.00 41.96 40.84 3hia s TYR 61 CO 0.04 0.33 -0.20 0.12 -1.11 0.00 0.00 175.55 174.74 3hia s PHE 62 N -2.20 2.68 -0.14 2.71 5.36 -1.26 -0.50 117.98 124.63 3hia s PHE 62 Ca 0.17 -1.12 -0.05 0.00 -0.96 0.00 0.00 56.93 54.97 3hia s PHE 62 Cb -0.05 -1.81 -0.04 0.00 -0.34 0.00 0.00 43.02 40.78 3hia s PHE 62 CO 0.07 -0.48 0.04 0.71 -1.46 0.00 0.00 175.22 174.09 3hia s TYR 63 N 0.64 3.23 0.77 10.12 1.51 0.24 -0.93 117.35 132.93 3hia s TYR 63 Ca -0.10 0.11 -0.11 0.00 -1.01 0.00 0.00 57.07 55.95 3hia s TYR 63 Cb -0.16 -1.97 0.05 0.00 -0.11 0.00 0.00 41.96 39.77 3hia s TYR 63 CO 0.02 0.28 1.09 -0.80 -1.11 0.00 0.00 175.55 175.03 3hia s ASN 64 N -0.14 4.78 0.31 2.29 0.01 0.43 -0.91 114.94 121.71 3hia s ASN 64 Ca 0.06 1.38 -0.01 0.00 -0.71 0.00 0.00 52.86 53.58 3hia s ASN 64 Cb -0.12 -2.15 0.49 0.00 0.41 0.00 0.00 41.25 39.87 3hia s ASN 64 CO 0.01 -1.79 1.95 0.74 -1.51 0.00 0.00 177.10 176.50 3hia h THR 65 N -0.96 1.20 0.00 1.60 2.02 -1.99 -0.60 112.91 114.18 3hia h THR 65 Ca -0.46 -0.44 0.00 0.00 0.77 0.00 0.00 66.41 66.28 3hia h THR 65 Cb 1.25 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 67.85 3hia h THR 65 CO 0.59 0.21 0.00 -0.90 0.37 0.00 0.00 175.52 175.79 3hia n ASP 66 N -4.39 0.19 0.00 4.18 5.68 -1.26 -4.82 116.55 116.13 3hia n ASP 66 Ca 0.07 -1.20 0.00 0.00 -0.50 0.00 0.00 54.79 53.16 3hia n ASP 66 Cb 0.07 -0.10 0.00 0.00 -1.14 0.00 0.00 41.12 39.95 3hia n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hia n GLY 67 N 0.13 1.15 3.87 6.12 0.00 -0.23 -5.03 105.19 111.20 3hia n GLY 67 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.06 6.47 0.03 1.61 1.04 -1.25 -4.76 113.70 113.79 3hia s SER 68 Ca 0.00 1.18 -0.24 0.00 0.48 0.00 0.00 55.95 57.37 3hia s SER 68 Cb 0.00 -2.35 -0.05 0.00 0.10 0.00 0.00 66.02 63.72 3hia s SER 68 CO 0.00 -0.49 0.72 -0.04 0.98 0.00 0.00 173.24 174.42 3hia s MET 69 N -4.11 4.45 0.57 4.02 -1.94 -1.26 0.16 119.30 121.19 3hia s MET 69 Ca 0.52 0.98 -0.18 0.00 -1.71 0.00 0.00 55.69 55.30 3hia s MET 69 Cb -0.10 -3.36 -0.05 0.00 2.01 0.00 0.00 34.83 33.33 3hia s MET 69 CO 0.35 0.30 1.10 0.00 -0.01 0.00 0.00 175.02 176.76 3hia s ALA 70 N -0.08 2.68 0.08 3.03 0.00 -0.11 -4.87 121.76 122.49 3hia s ALA 70 Ca 0.37 0.67 0.02 0.00 0.00 0.00 0.00 51.96 53.02 3hia s ALA 70 Cb -0.20 -3.32 -0.04 0.00 0.00 0.00 0.00 23.12 19.57 3hia s ALA 70 CO 0.21 -0.81 -0.07 0.99 0.00 0.00 0.00 175.76 176.08 3hia s THR 71 N -2.01 0.66 0.00 0.00 2.01 -1.26 -4.54 115.64 110.49 3hia s THR 71 Ca 0.69 -1.63 0.00 0.00 0.31 0.00 0.00 61.69 61.07 3hia s THR 71 Cb -0.21 -1.30 0.00 0.00 0.01 0.00 0.00 72.50 71.00 3hia s THR 71 CO 0.30 -0.69 0.00 0.61 -0.69 0.00 0.00 174.62 174.15 3hia n GLY 72 N 0.50 -1.43 3.77 4.40 0.00 -0.10 -4.85 105.19 107.47 3hia n GLY 72 Ca -0.16 -1.36 -0.40 0.00 0.00 0.00 0.00 46.02 44.10 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 2.65 -0.06 1.61 0.52 -1.26 -1.04 118.94 121.36 3hia s TRP 73 Ca 0.00 1.32 0.03 0.00 0.02 0.00 0.00 56.10 57.47 3hia s TRP 73 Cb 0.00 -3.81 0.01 0.00 -1.15 0.00 0.00 33.47 28.52 3hia s TRP 73 CO 0.00 -2.53 -0.13 0.08 0.02 0.00 0.00 176.95 174.39 3hia s VAL 74 N -1.22 1.14 -0.16 4.03 1.01 0.10 -4.93 120.40 120.37 3hia s VAL 74 Ca 0.58 -0.50 0.02 0.00 0.00 0.00 0.00 61.98 62.07 3hia s VAL 74 Cb -0.41 -1.03 0.01 0.00 0.00 0.00 0.00 36.38 34.96 3hia s VAL 74 CO 0.54 0.35 -0.21 -1.58 0.00 0.00 0.00 175.10 174.20 3hia s GLN 75 N 0.49 3.01 0.01 2.72 0.74 -1.26 -0.88 119.66 124.49 3hia s GLN 75 Ca -0.11 -0.84 -0.04 0.00 0.05 0.00 0.00 55.36 54.42 3hia s GLN 75 Cb -0.14 -2.51 -0.01 0.00 1.10 0.00 0.00 33.01 31.45 3hia s GLN 75 CO 0.03 -0.12 0.06 0.54 -0.55 0.00 0.00 175.29 175.26 3hia s VAL 76 N 1.07 0.09 -1.60 1.34 0.11 -1.04 -4.89 120.40 115.48 3hia s VAL 76 Ca -0.01 -0.75 0.00 0.00 -2.93 0.00 0.00 61.98 58.29 3hia s VAL 76 Cb -0.14 -0.34 0.00 0.00 -1.53 0.00 0.00 36.38 34.36 3hia s VAL 76 CO -0.08 -0.41 0.00 0.59 -3.33 0.00 0.00 175.10 171.87 3hia n ASN 77 N 1.59 -4.02 0.00 3.54 3.02 -1.26 -1.07 115.26 117.06 3hia n ASN 77 Ca -0.23 0.36 0.00 0.00 -0.03 0.00 0.00 54.58 54.69 3hia n ASN 77 Cb 0.55 -3.67 0.00 0.00 -0.61 0.00 0.00 39.78 36.06 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 -0.31 2.40 3.86 7.41 0.00 -1.26 -5.05 105.19 112.24 3hia n GLY 78 Ca -0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.85 6.74 0.06 1.61 0.01 -0.23 -5.10 113.70 114.94 3hia s SER 79 Ca 0.00 1.09 0.01 0.00 1.31 0.00 0.00 55.95 58.36 3hia s SER 79 Cb 0.00 -2.29 -0.04 0.00 0.21 0.00 0.00 66.02 63.90 3hia s SER 79 CO 0.00 -0.07 0.12 0.26 0.41 0.00 0.00 173.24 173.97 3hia s TRP 80 N -1.77 3.32 0.02 2.43 0.52 -1.26 -2.49 118.94 119.71 3hia s TRP 80 Ca 0.47 0.16 -0.04 0.00 0.02 0.00 0.00 56.10 56.71 3hia s TRP 80 Cb -0.12 -1.69 -0.01 0.00 -1.15 0.00 0.00 33.47 30.50 3hia s TRP 80 CO 0.20 0.55 0.05 0.71 0.02 0.00 0.00 176.95 178.48 3hia s TYR 81 N -1.39 0.18 -0.13 -1.98 1.51 -0.05 -1.18 117.35 114.31 3hia s TYR 81 Ca 0.30 -0.41 0.02 0.00 -1.01 0.00 0.00 57.07 55.97 3hia s TYR 81 Cb -0.12 -0.14 0.01 0.00 -0.11 0.00 0.00 41.96 41.60 3hia s TYR 81 CO 0.22 -0.26 -0.19 -0.47 -1.11 0.00 0.00 175.55 173.75 3hia s TYR 82 N -1.72 2.33 -0.20 2.71 5.04 -1.26 0.03 117.35 124.28 3hia s TYR 82 Ca -0.13 -1.15 -0.07 0.00 -2.44 0.00 0.00 57.07 53.28 3hia s TYR 82 Cb -0.07 -1.63 -0.04 0.00 0.35 0.00 0.00 41.96 40.58 3hia s TYR 82 CO -0.01 -0.56 0.06 -0.51 -1.34 0.00 0.00 175.55 173.20 3hia s LEU 83 N 0.93 3.69 1.14 6.97 1.43 -0.21 -1.00 118.68 131.63 3hia s LEU 83 Ca -0.06 -0.01 -0.17 0.00 -1.03 0.00 0.00 54.13 52.85 3hia s LEU 83 Cb -0.15 -1.95 0.15 0.00 0.03 0.00 0.00 46.19 44.27 3hia s LEU 83 CO -0.02 0.11 0.26 0.59 0.23 0.00 0.00 176.35 177.51 3hia n ASN 84 N 3.98 -2.23 0.10 2.29 3.02 0.93 -0.92 115.26 122.43 3hia n ASN 84 Ca -0.16 -0.14 0.10 0.00 -0.03 0.00 0.00 54.58 54.35 3hia n ASN 84 Cb 0.52 -1.03 0.58 0.00 -0.61 0.00 0.00 39.78 39.23 3hia n ASN 84 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 3hia h SER 85 N -2.24 0.17 -0.27 6.41 0.02 -1.97 0.25 113.55 115.92 3hia h SER 85 Ca -0.56 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.39 3hia h SER 85 Cb 1.35 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.86 3hia h SER 85 CO 0.41 0.12 0.00 -0.46 -1.14 0.00 0.00 176.83 175.76 3hia n ASN 86 N -4.49 1.80 0.00 3.07 0.23 -1.26 -4.91 115.26 109.70 3hia n ASN 86 Ca 0.03 -2.08 0.00 0.00 -0.53 0.00 0.00 54.58 52.00 3hia n ASN 86 Cb 0.21 -0.28 0.00 0.00 -2.08 0.00 0.00 39.78 37.64 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 0.79 2.00 3.75 4.83 0.00 0.87 -5.02 105.19 112.40 3hia n GLY 87 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.45 7.34 -0.10 1.61 1.04 -1.26 -4.37 113.70 114.52 3hia s SER 88 Ca 0.00 2.19 -0.30 0.00 0.48 0.00 0.00 55.95 58.33 3hia s SER 88 Cb 0.00 -2.62 -0.02 0.00 0.10 0.00 0.00 66.02 63.48 3hia s SER 88 CO 0.00 -0.09 1.08 -0.32 0.98 0.00 0.00 173.24 174.89 3hia s MET 89 N -1.29 4.39 0.16 4.02 1.75 -0.01 -0.05 119.30 128.26 3hia s MET 89 Ca 0.44 1.49 -0.31 0.00 -1.25 0.00 0.00 55.69 56.06 3hia s MET 89 Cb -0.31 -3.56 -0.10 0.00 2.84 0.00 0.00 34.83 33.71 3hia s MET 89 CO 0.39 -0.39 1.59 0.15 -0.65 0.00 0.00 175.02 176.11 3hia s LYS 90 N 2.18 4.21 0.04 4.11 1.02 -0.17 -4.73 119.74 126.39 3hia s LYS 90 Ca 0.51 2.38 0.02 0.00 0.02 0.00 0.00 55.97 58.90 3hia s LYS 90 Cb -0.20 -3.20 -0.02 0.00 -0.52 0.00 0.00 37.83 33.89 3hia s LYS 90 CO 0.19 -0.63 -0.08 0.14 -0.92 0.00 0.00 175.35 174.04 3hia s VAL 91 N 1.31 0.59 -1.33 3.17 -7.23 -1.26 -4.35 120.40 111.30 3hia s VAL 91 Ca 0.71 -0.93 -0.02 0.00 -1.81 0.00 0.00 61.98 59.93 3hia s VAL 91 Cb -0.44 -0.61 -0.00 0.00 0.56 0.00 0.00 36.38 35.89 3hia s VAL 91 CO 0.31 -0.26 0.59 -3.20 -0.31 0.00 0.00 175.10 172.24 3hia n ASN 92 N 1.75 -1.28 -3.55 4.85 5.15 -0.60 -4.95 115.26 116.63 3hia n ASN 92 Ca -0.21 -0.92 -0.11 0.00 -0.60 0.00 0.00 54.58 52.74 3hia n ASN 92 Cb 0.55 -3.58 -0.04 0.00 -0.53 0.00 0.00 39.78 36.19 3hia n ASN 92 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3hia s GLN 93 N -6.20 1.14 -0.11 1.20 -2.07 -0.83 -4.98 119.66 107.81 3hia s GLN 93 Ca 0.06 -0.58 -0.17 0.00 -1.82 0.00 0.00 55.36 52.85 3hia s GLN 93 Cb -0.02 0.52 -0.05 0.00 -1.09 0.00 0.00 33.01 32.37 3hia s GLN 93 CO 0.85 -0.47 0.43 -1.58 -1.32 0.00 0.00 175.29 173.20 3hia s TRP 94 N -3.66 3.54 0.03 9.60 0.52 -1.26 -1.76 118.94 125.95 3hia s TRP 94 Ca 0.01 0.85 0.00 0.00 0.02 0.00 0.00 56.10 56.99 3hia s TRP 94 Cb 0.01 -2.47 -0.03 0.00 -1.15 0.00 0.00 33.47 29.83 3hia s TRP 94 CO -0.11 0.26 -0.04 -0.59 0.02 0.00 0.00 176.95 176.48 3hia s PHE 95 N 0.32 0.43 -0.14 -1.98 -0.71 0.12 -4.94 117.98 111.08 3hia s PHE 95 Ca 0.24 -0.64 -0.05 0.00 -1.04 0.00 0.00 56.93 55.43 3hia s PHE 95 Cb -0.15 -0.29 -0.04 0.00 -1.21 0.00 0.00 43.02 41.33 3hia s PHE 95 CO 0.10 -0.20 0.06 -1.14 -1.34 0.00 0.00 175.22 172.69 3hia s GLN 96 N -2.08 3.52 -0.06 1.99 0.74 -1.26 0.36 119.66 122.88 3hia s GLN 96 Ca -0.09 -0.32 -0.02 0.00 0.05 0.00 0.00 55.36 54.98 3hia s GLN 96 Cb -0.06 -3.06 0.04 0.00 1.10 0.00 0.00 33.01 31.03 3hia s GLN 96 CO -0.03 0.53 0.13 0.08 -0.55 0.00 0.00 175.29 175.45 3hia s VAL 97 N -0.36 -0.10 -1.48 1.34 1.01 -0.14 -4.88 120.40 115.79 3hia s VAL 97 Ca 0.09 0.24 -0.12 0.00 0.00 0.00 0.00 61.98 62.19 3hia s VAL 97 Cb -0.12 -0.22 0.06 0.00 0.00 0.00 0.00 36.38 36.10 3hia s VAL 97 CO 0.02 0.10 0.97 0.61 0.00 0.00 0.00 175.10 176.80 3hia n GLY 98 N 4.52 -0.51 2.25 4.51 0.00 -1.26 -2.37 105.19 112.33 3hia n GLY 98 Ca -0.20 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.72 0.55 3.36 -0.02 0.00 -1.26 -5.01 105.19 101.08 3hia n GLY 99 Ca 0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.13 1.43 -0.03 1.61 -0.14 -1.00 -5.13 119.74 116.34 3hia s LYS 100 Ca 0.00 -1.26 -0.13 0.00 -1.36 0.00 0.00 55.97 53.22 3hia s LYS 100 Cb 0.00 -1.82 -0.05 0.00 -1.68 0.00 0.00 37.83 34.28 3hia s LYS 100 CO 0.00 0.44 0.35 -1.58 -0.76 0.00 0.00 175.35 173.80 3hia s TRP 101 N -1.02 3.70 0.17 3.18 0.52 -1.26 -0.96 118.94 123.26 3hia s TRP 101 Ca 0.12 0.89 0.05 0.00 0.02 0.00 0.00 56.10 57.18 3hia s TRP 101 Cb -0.10 -2.21 -0.05 0.00 -1.15 0.00 0.00 33.47 29.96 3hia s TRP 101 CO 0.05 0.66 -0.11 0.71 0.02 0.00 0.00 176.95 178.28 3hia s TYR 102 N -1.05 1.41 -0.04 -1.98 1.51 0.16 -4.96 117.35 112.40 3hia s TYR 102 Ca 0.22 -0.71 0.03 0.00 -1.01 0.00 0.00 57.07 55.60 3hia s TYR 102 Cb -0.16 -0.70 0.00 0.00 -0.11 0.00 0.00 41.96 41.00 3hia s TYR 102 CO 0.11 0.16 -0.12 -0.47 -1.11 0.00 0.00 175.55 174.12 3hia s TYR 103 N -3.23 1.29 -0.08 2.71 6.14 -1.26 -0.70 117.35 122.21 3hia s TYR 103 Ca 0.19 -0.37 0.05 0.00 0.64 0.00 0.00 57.07 57.58 3hia s TYR 103 Cb 0.02 -0.90 -0.01 0.00 0.42 0.00 0.00 41.96 41.49 3hia s TYR 103 CO 0.03 -0.15 -0.23 0.14 0.64 0.00 0.00 175.55 175.98 3hia s VAL 104 N 0.23 2.24 0.71 3.14 -7.23 -0.72 -0.38 120.40 118.39 3hia s VAL 104 Ca -0.05 -0.98 -0.12 0.00 -1.81 0.00 0.00 61.98 59.01 3hia s VAL 104 Cb -0.11 -1.84 0.17 0.00 0.56 0.00 0.00 36.38 35.16 3hia s VAL 104 CO 0.02 0.56 0.75 -0.46 -0.31 0.00 0.00 175.10 175.66 3hia n ASN 105 N 3.15 -1.00 0.15 4.85 0.23 -0.64 -1.95 115.26 120.05 3hia n ASN 105 Ca -0.18 -1.07 0.11 0.00 -0.53 0.00 0.00 54.58 52.91 3hia n ASN 105 Cb 0.52 -0.64 0.55 0.00 -2.08 0.00 0.00 39.78 38.14 3hia n ASN 105 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 3hia n THR 106 N -3.67 0.96 1.28 5.53 -2.24 -1.26 -0.99 114.28 113.89 3hia n THR 106 Ca 0.10 0.55 0.13 0.00 -2.27 0.00 0.00 64.05 62.56 3hia n THR 106 Cb 0.37 -1.52 0.36 0.00 -2.10 0.00 0.00 70.33 67.44 3hia n THR 106 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3hia n SER 107 N -2.26 1.45 0.00 3.42 7.64 -1.26 -4.71 113.62 117.90 3hia n SER 107 Ca -0.00 -1.24 0.00 0.00 1.01 0.00 0.00 58.87 58.63 3hia n SER 107 Cb 0.11 0.12 0.00 0.00 -1.01 0.00 0.00 64.21 63.43 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 1.30 0.79 3.76 0.23 0.00 -0.16 -5.03 105.19 106.07 3hia n GLY 108 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.30 4.25 0.09 1.61 -1.05 -1.26 -4.40 118.70 117.64 3hia s GLU 109 Ca 0.00 0.52 -0.31 0.00 -0.15 0.00 0.00 54.97 55.04 3hia s GLU 109 Cb 0.00 -3.37 -0.08 0.00 -0.44 0.00 0.00 34.13 30.24 3hia s GLU 109 CO 0.00 0.32 1.53 -1.17 0.95 0.00 0.00 175.26 176.89 3hia s LEU 110 N 0.05 4.36 0.08 1.83 2.96 -0.32 -1.62 118.68 126.01 3hia s LEU 110 Ca 0.27 2.41 -0.30 0.00 -0.22 0.00 0.00 54.13 56.29 3hia s LEU 110 Cb -0.16 -3.58 -0.06 0.00 0.50 0.00 0.00 46.19 42.90 3hia s LEU 110 CO 0.13 -0.79 1.13 0.00 -1.32 0.00 0.00 176.35 175.50 3hia s ALA 111 N 1.88 3.34 0.02 5.97 0.00 0.49 -4.69 121.76 128.77 3hia s ALA 111 Ca 0.69 0.78 0.04 0.00 0.00 0.00 0.00 51.96 53.47 3hia s ALA 111 Cb -0.38 -3.40 -0.02 0.00 0.00 0.00 0.00 23.12 19.32 3hia s ALA 111 CO 0.30 -0.33 -0.12 0.14 0.00 0.00 0.00 175.76 175.76 3hia s VAL 112 N 0.70 0.90 -1.13 0.00 -7.23 -1.26 -4.76 120.40 107.61 3hia s VAL 112 Ca 0.55 -0.76 -0.23 0.00 -1.81 0.00 0.00 61.98 59.73 3hia s VAL 112 Cb -0.28 -0.81 0.00 0.00 0.56 0.00 0.00 36.38 35.86 3hia s VAL 112 CO 0.30 0.05 0.76 0.59 -0.31 0.00 0.00 175.10 176.50 3hia n ASN 113 N 2.26 -5.14 0.00 4.85 3.02 -1.26 -5.26 115.26 113.73 3hia n ASN 113 Ca -0.17 -1.05 0.00 0.00 -0.03 0.00 0.00 54.58 53.33 3hia n ASN 113 Cb 0.56 -2.99 0.00 0.00 -0.61 0.00 0.00 39.78 36.74 3hia n ASN 113 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99