#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hsa n VAL 14 N 0.00 0.50 -1.74 3.84 0.31 -1.26 -4.91 118.33 115.07 3hsa n VAL 14 Ca 0.00 -0.75 -0.43 0.00 -0.01 0.00 0.00 64.34 63.15 3hsa n VAL 14 Cb 0.00 0.92 -0.03 0.00 -0.91 0.00 0.00 33.84 33.83 3hsa n VAL 14 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3hsa s ASP 15 N -1.21 5.77 0.37 4.52 -1.08 -1.26 -4.79 116.67 118.98 3hsa s ASP 15 Ca 0.28 1.88 0.06 0.00 -0.52 0.00 0.00 52.55 54.25 3hsa s ASP 15 Cb 0.16 -2.52 0.71 0.00 -1.46 0.00 0.00 42.92 39.82 3hsa s ASP 15 CO 0.23 -1.71 1.93 -0.07 0.52 0.00 0.00 175.17 176.07 3hsa h LEU 16 N 13.84 0.43 -1.52 -1.34 3.38 -1.99 -2.28 115.31 125.84 3hsa h LEU 16 Ca -0.40 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.51 3hsa h LEU 16 Cb 1.22 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.86 3hsa h LEU 16 CO 0.97 0.47 0.00 0.61 0.09 0.00 0.00 178.44 180.58 3hsa n GLY 17 N -1.04 0.43 1.17 0.83 0.00 -1.26 -0.51 105.19 104.81 3hsa n GLY 17 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3hsa n GLY 17 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hsa n LEU 19 N 0.63 0.00 -0.13 0.99 4.77 -0.86 -1.83 117.00 120.57 3hsa n LEU 19 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.89 3hsa n LEU 19 Cb 0.09 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.18 3hsa n LEU 19 CO 0.00 0.00 0.97 0.00 -1.33 0.00 0.00 177.39 177.03 3hsa h ALA 20 N 0.00 0.49 -0.60 -1.18 0.00 -1.08 0.96 119.26 117.86 3hsa h ALA 20 Ca 0.00 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.87 3hsa h ALA 20 Cb 0.00 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.59 3hsa h ALA 20 CO 0.00 0.03 0.33 0.00 0.00 0.00 0.00 179.25 179.61 3hsa h ALA 21 N 1.06 0.79 -0.32 0.00 0.00 -1.63 0.15 119.26 119.31 3hsa h ALA 21 Ca 0.13 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 3hsa h ALA 21 Cb 0.07 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3hsa h ALA 21 CO -0.02 0.01 -0.17 1.49 0.00 0.00 0.00 179.25 180.56 3hsa h GLU 22 N 0.63 0.68 0.00 0.00 4.81 -1.79 -3.33 114.58 115.58 3hsa h GLU 22 Ca 0.26 -0.30 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 3hsa h GLU 22 Cb 0.14 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.50 3hsa h GLU 22 CO -0.16 0.90 -0.63 1.28 -0.73 0.00 0.00 179.01 179.67 3hsa n LEU 23 N -4.35 0.62 -0.32 1.64 4.77 0.31 -4.52 117.00 115.15 3hsa n LEU 23 Ca -0.03 0.14 -0.03 0.00 -0.03 0.00 0.00 56.01 56.06 3hsa n LEU 23 Cb 0.40 -0.20 0.02 0.00 -2.33 0.00 0.00 43.42 41.31 3hsa n LEU 23 CO 0.43 0.01 0.59 -1.28 -1.33 0.00 0.00 177.39 175.81 3hsa h SER 24 N 0.00 -1.40 -0.07 -1.43 0.87 -0.81 -0.63 113.55 110.07 3hsa h SER 24 Ca 0.00 0.28 0.02 0.00 -1.23 0.00 0.00 61.79 60.86 3hsa h SER 24 Cb 0.67 0.71 -0.00 0.00 -0.44 0.00 0.00 62.40 63.34 3hsa h SER 24 CO 0.00 -0.29 0.10 -0.65 -0.53 0.00 0.00 176.83 175.46 3hsa h PRO 25 N -0.07 0.00 -0.07 2.24 0.11 -1.84 -2.51 132.00 129.85 3hsa h PRO 25 Ca 0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.40 3hsa h PRO 25 Cb 0.57 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.68 3hsa h PRO 25 CO -0.87 0.00 0.00 0.44 -0.21 0.00 0.00 178.00 177.36 3hsa n ILE 26 N -3.67 0.11 -2.83 4.15 -5.35 -0.27 -4.98 119.36 106.52 3hsa n ILE 26 Ca -0.01 -0.55 -0.34 0.00 -0.27 0.00 0.00 62.75 61.58 3hsa n ILE 26 Cb 0.20 1.25 -0.07 0.00 -1.74 0.00 0.00 39.64 39.28 3hsa n ILE 26 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 3hsa s LEU 27 N -1.33 4.06 1.22 7.28 1.43 -0.95 -5.07 118.68 125.32 3hsa s LEU 27 Ca 0.21 1.71 -0.18 0.00 -1.03 0.00 0.00 54.13 54.84 3hsa s LEU 27 Cb 0.14 -4.36 0.29 0.00 0.03 0.00 0.00 46.19 42.29 3hsa s LEU 27 CO 0.21 -0.27 1.04 -0.83 0.23 0.00 0.00 176.35 176.73 3hsa s GLY 28 N -2.02 1.52 0.21 -3.19 0.00 -1.26 -4.97 107.32 97.61 3hsa s GLY 28 Ca 0.58 -0.66 -0.04 0.00 0.00 0.00 0.00 44.72 44.60 3hsa s GLY 28 CO 0.16 0.18 1.60 -0.55 0.00 0.00 0.00 173.10 174.49 3hsa h ASP 29 N -2.69 0.74 -0.84 1.64 3.32 -1.98 -3.19 116.42 113.42 3hsa h ASP 29 Ca -0.50 -0.30 -0.50 0.00 0.02 0.00 0.00 57.03 55.75 3hsa h ASP 29 Cb 1.32 -0.21 -0.42 0.00 0.22 0.00 0.00 39.33 40.24 3hsa h ASP 29 CO 0.41 1.00 -0.87 0.59 -1.72 0.00 0.00 179.24 178.65 3hsa n ASN 30 N -4.07 4.25 -4.71 6.45 3.02 -1.26 -5.03 115.26 113.91 3hsa n ASN 30 Ca -0.01 -3.44 -0.35 0.00 -0.03 0.00 0.00 54.58 50.75 3hsa n ASN 30 Cb 0.48 -0.39 -0.08 0.00 -0.61 0.00 0.00 39.78 39.18 3hsa n ASN 30 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3hsa s GLU 31 N -3.60 4.02 0.04 3.52 2.12 -1.21 -5.00 118.70 118.58 3hsa s GLU 31 Ca 0.46 -0.26 0.09 0.00 0.36 0.00 0.00 54.97 55.62 3hsa s GLU 31 Cb 0.40 -3.31 -0.03 0.00 0.26 0.00 0.00 34.13 31.45 3hsa s GLU 31 CO -0.01 0.35 -0.25 -1.21 -0.54 0.00 0.00 175.26 173.60 3hsa s GLU 32 N 0.20 1.73 0.13 4.30 2.02 -1.26 -4.85 118.70 120.97 3hsa s GLU 32 Ca 0.07 -1.05 -0.30 0.00 0.02 0.00 0.00 54.97 53.71 3hsa s GLU 32 Cb -0.12 -1.87 -0.06 0.00 0.10 0.00 0.00 34.13 32.18 3hsa s GLU 32 CO -0.01 0.49 1.07 -0.51 0.02 0.00 0.00 175.26 176.32 3hsa s LEU 33 N -1.15 4.46 -0.01 1.80 1.02 -1.26 -0.89 118.68 122.65 3hsa s LEU 33 Ca 0.11 1.97 -0.00 0.00 0.02 0.00 0.00 54.13 56.22 3hsa s LEU 33 Cb -0.10 -3.59 -0.00 0.00 0.02 0.00 0.00 46.19 42.52 3hsa s LEU 33 CO 0.02 -0.23 -0.01 0.00 0.02 0.00 0.00 176.35 176.15 3hsa n GLN 34 N 2.88 0.02 -3.84 1.70 6.02 0.19 -4.93 117.38 119.42 3hsa n GLN 34 Ca 0.04 0.01 -0.11 0.00 -0.01 0.00 0.00 57.00 56.93 3hsa n GLN 34 Cb 0.47 -0.81 -0.09 0.00 1.02 0.00 0.00 30.24 30.84 3hsa n GLN 34 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3hsa s LEU 35 N -5.45 1.33 -0.07 1.08 1.43 -0.93 -5.01 118.68 111.06 3hsa s LEU 35 Ca -0.01 -0.28 -0.05 0.00 -1.03 0.00 0.00 54.13 52.76 3hsa s LEU 35 Cb 0.00 0.95 0.03 0.00 0.03 0.00 0.00 46.19 47.20 3hsa s LEU 35 CO 0.01 -0.51 0.19 0.00 0.23 0.00 0.00 176.35 176.27 3hsa s ALA 36 N -2.19 -0.43 0.00 4.21 0.00 -1.26 -0.09 121.76 122.00 3hsa s ALA 36 Ca -0.08 0.64 0.00 0.00 0.00 0.00 0.00 51.96 52.52 3hsa s ALA 36 Cb -0.03 -0.40 0.00 0.00 0.00 0.00 0.00 23.12 22.70 3hsa s ALA 36 CO -0.02 -0.12 0.00 0.66 0.00 0.00 0.00 175.76 176.28 3hsa n TYR 37 N 3.48 0.00 -0.09 0.00 4.02 0.15 -4.97 117.16 119.75 3hsa n TYR 37 Ca -0.18 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.60 3hsa n TYR 37 Cb 0.56 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.85 3hsa n TYR 37 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 3hsa h VAL 40 N 0.00 1.25 0.00 -0.72 2.07 -2.02 -0.49 116.25 116.33 3hsa h VAL 40 Ca 0.00 -0.87 0.00 0.00 0.82 0.00 0.00 66.70 66.65 3hsa h VAL 40 Cb 0.00 1.27 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 3hsa h VAL 40 CO 0.00 0.28 0.00 -2.11 0.02 0.00 0.00 177.57 175.76 3hsa n ARG 41 N -4.62 5.55 -4.31 1.57 1.85 -1.26 -5.08 116.66 110.36 3hsa n ARG 41 Ca -0.03 -0.04 -0.19 0.00 -1.00 0.00 0.00 57.85 56.60 3hsa n ARG 41 Cb 0.23 -0.48 -0.09 0.00 -1.05 0.00 0.00 32.46 31.08 3hsa n ARG 41 CO 0.00 0.00 0.00 0.16 -0.01 0.00 0.00 177.63 177.78 3hsa s ASP 42 N -0.80 1.53 -0.10 2.89 1.47 -1.26 -4.74 116.67 115.65 3hsa s ASP 42 Ca 0.00 -1.65 0.02 0.00 1.18 0.00 0.00 52.55 52.09 3hsa s ASP 42 Cb 0.00 0.49 -0.02 0.00 -0.34 0.00 0.00 42.92 43.05 3hsa s ASP 42 CO 0.00 -0.98 -0.14 -0.76 0.68 0.00 0.00 175.17 173.97 3hsa s LEU 43 N -3.36 2.67 -0.43 2.11 1.43 0.35 -4.95 118.68 116.49 3hsa s LEU 43 Ca 0.38 -0.30 -0.16 0.00 -1.03 0.00 0.00 54.13 53.02 3hsa s LEU 43 Cb 0.04 -1.57 0.03 0.00 0.03 0.00 0.00 46.19 44.72 3hsa s LEU 43 CO 0.22 0.23 0.38 -0.36 0.23 0.00 0.00 176.35 177.05 3hsa s PHE 44 N -0.04 3.21 -0.26 0.29 0.40 -0.19 -1.24 117.98 120.15 3hsa s PHE 44 Ca -0.03 -0.59 -0.07 0.00 -0.60 0.00 0.00 56.93 55.64 3hsa s PHE 44 Cb -0.14 -2.86 -0.01 0.00 0.51 0.00 0.00 43.02 40.51 3hsa s PHE 44 CO 0.04 -0.69 0.05 0.08 0.70 0.00 0.00 175.22 175.40 3hsa s VAL 45 N 1.87 4.05 -0.37 -0.44 1.01 -0.33 -0.67 120.40 125.52 3hsa s VAL 45 Ca 0.08 -0.37 -0.17 0.00 0.00 0.00 0.00 61.98 61.52 3hsa s VAL 45 Cb -0.19 -2.94 0.00 0.00 0.00 0.00 0.00 36.38 33.25 3hsa s VAL 45 CO 0.11 0.29 0.47 -0.36 0.00 0.00 0.00 175.10 175.60 3hsa s PHE 46 N 1.56 3.17 0.52 5.22 0.40 0.87 -0.43 117.98 129.30 3hsa s PHE 46 Ca 0.05 -0.03 0.08 0.00 -0.60 0.00 0.00 56.93 56.43 3hsa s PHE 46 Cb -0.15 -2.89 0.05 0.00 0.51 0.00 0.00 43.02 40.54 3hsa s PHE 46 CO 0.02 -0.58 0.71 0.95 0.70 0.00 0.00 175.22 177.02 3hsa s THR 47 N 2.27 2.54 -1.14 0.64 -4.23 -1.26 -0.64 115.64 113.82 3hsa s THR 47 Ca 0.16 -0.94 0.00 0.00 -1.18 0.00 0.00 61.69 59.72 3hsa s THR 47 Cb -0.16 -2.60 0.00 0.00 1.34 0.00 0.00 72.50 71.08 3hsa s THR 47 CO 0.13 0.00 0.13 -1.54 -0.54 0.00 0.00 174.62 172.81 3hsa n SER 48 N -2.14 0.20 -4.57 3.99 3.41 -0.07 -4.77 113.62 109.67 3hsa n SER 48 Ca 0.12 -0.47 -0.34 0.00 -0.26 0.00 0.00 58.87 57.92 3hsa n SER 48 Cb 0.60 -0.10 0.12 0.00 -0.26 0.00 0.00 64.21 64.57 3hsa n SER 48 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 3hsa n ARG 50 N 0.26 0.05 -3.09 4.33 1.85 -1.26 -4.99 116.66 113.81 3hsa n ARG 50 Ca 0.00 0.08 -0.40 0.00 -1.00 0.00 0.00 57.85 56.53 3hsa n ARG 50 Cb 0.05 -2.15 -0.05 0.00 -1.05 0.00 0.00 32.46 29.26 3hsa n ARG 50 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 3hsa s LEU 51 N -3.30 4.25 -0.23 2.89 2.96 -0.26 -4.46 118.68 120.53 3hsa s LEU 51 Ca 0.67 1.04 -0.01 0.00 -0.22 0.00 0.00 54.13 55.61 3hsa s LEU 51 Cb -0.28 -2.99 0.02 0.00 0.50 0.00 0.00 46.19 43.44 3hsa s LEU 51 CO 0.57 -0.17 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.69 3hsa s ILE 52 N 1.23 2.66 -0.22 6.68 1.01 0.43 0.29 121.20 133.28 3hsa s ILE 52 Ca 0.34 -0.97 -0.20 0.00 0.00 0.00 0.00 60.65 59.82 3hsa s ILE 52 Cb -0.17 -2.29 -0.02 0.00 0.01 0.00 0.00 42.46 40.00 3hsa s ILE 52 CO 0.14 0.31 0.63 -0.76 0.00 0.00 0.00 174.94 175.26 3hsa s LEU 53 N 1.32 4.10 -0.22 2.97 1.02 0.48 -1.18 118.68 127.17 3hsa s LEU 53 Ca 0.02 0.77 -0.04 0.00 0.02 0.00 0.00 54.13 54.89 3hsa s LEU 53 Cb -0.15 -2.87 -0.01 0.00 0.02 0.00 0.00 46.19 43.18 3hsa s LEU 53 CO -0.07 -0.32 -0.03 -0.63 0.02 0.00 0.00 176.35 175.33 3hsa s ILE 54 N 2.18 3.53 0.44 -0.59 1.01 -0.38 -0.54 121.20 126.86 3hsa s ILE 54 Ca 0.27 -0.44 0.04 0.00 0.00 0.00 0.00 60.65 60.52 3hsa s ILE 54 Cb -0.16 -2.61 -0.04 0.00 0.01 0.00 0.00 42.46 39.66 3hsa s ILE 54 CO 0.09 0.41 0.03 -0.62 0.00 0.00 0.00 174.94 174.85 3hsa s ASP 55 N 1.48 3.70 -0.16 3.58 -1.08 -0.83 -0.49 116.67 122.86 3hsa s ASP 55 Ca 0.06 -1.53 -0.35 0.00 -0.52 0.00 0.00 52.55 50.21 3hsa s ASP 55 Cb -0.14 0.14 0.15 0.00 -1.46 0.00 0.00 42.92 41.60 3hsa s ASP 55 CO -0.02 -0.70 1.39 -1.10 0.52 0.00 0.00 175.17 175.26 3hsa s GLN 57 N -3.80 0.08 0.00 4.34 -1.52 -1.26 -1.38 119.66 116.11 3hsa s GLN 57 Ca 0.21 -0.04 0.00 0.00 -1.95 0.00 0.00 55.36 53.58 3hsa s GLN 57 Cb 0.05 0.03 0.00 0.00 -0.22 0.00 0.00 33.01 32.87 3hsa s GLN 57 CO 0.11 -0.03 0.00 0.41 -0.25 0.00 0.00 175.29 175.52 3hsa n GLY 58 N -0.30 -0.37 0.22 3.09 0.00 -1.26 -2.45 105.19 104.12 3hsa n GLY 58 Ca -0.04 -1.76 -0.07 0.00 0.00 0.00 0.00 46.02 44.15 3hsa n GLY 58 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3hsa h VAL 59 N 0.00 1.31 0.00 1.61 2.07 -2.09 -3.18 116.25 115.97 3hsa h VAL 59 Ca 0.00 -1.61 0.00 0.00 0.82 0.00 0.00 66.70 65.91 3hsa h VAL 59 Cb 0.00 1.62 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 3hsa h VAL 59 CO 0.00 0.50 -0.54 0.35 0.02 0.00 0.00 177.57 177.91 3hsa n THR 60 N -4.01 0.29 -1.58 2.57 -2.24 -1.26 -5.32 114.28 102.72 3hsa n THR 60 Ca -0.02 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 3hsa n THR 60 Cb 0.53 -0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.65 3hsa n THR 60 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hsa n GLY 61 N 1.37 -4.81 3.65 3.38 0.00 -1.03 -5.05 105.19 102.70 3hsa n GLY 61 Ca 0.04 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.57 3hsa n GLY 61 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hsa s VAL 64 N -1.62 0.00 0.00 1.61 1.01 -1.26 -4.51 120.40 115.64 3hsa s VAL 64 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 61.98 62.06 3hsa s VAL 64 Cb 0.00 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.36 3hsa s VAL 64 CO 0.00 0.00 -0.24 -0.94 0.00 0.00 0.00 175.10 173.92 3hsa s SER 65 N 0.79 2.88 -0.28 3.32 1.04 -0.48 -5.00 113.70 115.98 3hsa s SER 65 Ca -0.04 -0.49 -0.01 0.00 0.48 0.00 0.00 55.95 55.90 3hsa s SER 65 Cb -0.03 -0.30 0.05 0.00 0.10 0.00 0.00 66.02 65.84 3hsa s SER 65 CO -0.12 0.27 -0.04 -0.31 0.98 0.00 0.00 173.24 174.02 3hsa s TYR 66 N -0.65 3.21 -0.35 5.02 2.02 -1.26 -1.97 117.35 123.37 3hsa s TYR 66 Ca 0.10 -1.89 -0.10 0.00 -0.37 0.00 0.00 57.07 54.80 3hsa s TYR 66 Cb -0.09 -2.05 0.02 0.00 -0.40 0.00 0.00 41.96 39.43 3hsa s TYR 66 CO 0.00 -0.80 0.17 -1.58 -1.57 0.00 0.00 175.55 171.77 3hsa s HIS 67 N 1.24 3.22 -0.22 2.71 2.46 0.30 -4.94 115.29 120.06 3hsa s HIS 67 Ca -0.05 -0.89 -0.16 0.00 0.47 0.00 0.00 55.06 54.43 3hsa s HIS 67 Cb -0.19 -2.39 -0.04 0.00 -0.13 0.00 0.00 32.58 29.83 3hsa s HIS 67 CO -0.03 -0.60 0.42 -1.12 -2.47 0.00 0.00 174.74 170.94 3hsa s SER 68 N 1.55 6.41 -0.33 9.88 0.01 -1.26 -0.38 113.70 129.58 3hsa s SER 68 Ca 0.02 0.49 0.02 0.00 1.31 0.00 0.00 55.95 57.80 3hsa s SER 68 Cb -0.18 -2.24 0.10 0.00 0.21 0.00 0.00 66.02 63.91 3hsa s SER 68 CO 0.06 -0.13 0.07 -0.63 0.41 0.00 0.00 173.24 173.02 3hsa s ILE 69 N 1.58 1.77 0.44 1.44 1.01 0.14 -4.99 121.20 122.59 3hsa s ILE 69 Ca 0.19 -2.02 -0.24 0.00 0.00 0.00 0.00 60.65 58.58 3hsa s ILE 69 Cb -0.15 -2.32 -0.10 0.00 0.01 0.00 0.00 42.46 39.91 3hsa s ILE 69 CO 0.09 -0.63 1.09 -2.65 0.00 0.00 0.00 174.94 172.83 3hsa n PRO 70 N 4.45 1.48 -0.16 2.79 -0.02 -1.26 -1.11 135.00 141.17 3hsa n PRO 70 Ca 0.02 0.53 -0.01 0.00 -2.02 0.00 0.00 63.50 62.02 3hsa n PRO 70 Cb 0.42 -2.16 -0.02 0.00 -0.02 0.00 0.00 33.50 31.71 3hsa n PRO 70 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3hsa n TYR 71 N -0.54 0.00 0.00 6.00 4.01 -1.26 -3.98 117.16 121.39 3hsa n TYR 71 Ca 0.09 -0.26 0.00 0.00 -0.16 0.00 0.00 57.90 57.57 3hsa n TYR 71 Cb 0.40 -0.49 0.00 0.00 -0.31 0.00 0.00 39.34 38.94 3hsa n TYR 71 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3hsa n ALA 73 N 2.45 0.00 -2.57 -0.72 0.00 -1.26 -4.76 120.51 113.65 3hsa n ALA 73 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.06 3hsa n ALA 73 Cb 0.15 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.58 3hsa n ALA 73 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3hsa s ILE 74 N 0.00 4.12 -0.18 0.00 1.01 -1.26 -0.18 121.20 124.71 3hsa s ILE 74 Ca 0.00 1.12 -0.20 0.00 0.00 0.00 0.00 60.65 61.57 3hsa s ILE 74 Cb 0.00 -4.59 -0.17 0.00 0.01 0.00 0.00 42.46 37.71 3hsa s ILE 74 CO 0.00 -1.06 0.23 0.58 0.00 0.00 0.00 174.94 174.69 3hsa h VAL 75 N 6.25 0.88 -3.15 2.92 2.07 -1.43 -3.48 116.25 120.31 3hsa h VAL 75 Ca -0.24 -1.98 -0.00 0.00 0.82 0.00 0.00 66.70 65.30 3hsa h VAL 75 Cb 1.06 1.98 -0.10 0.00 -1.52 0.00 0.00 31.29 32.71 3hsa h VAL 75 CO 1.14 0.30 0.12 -1.38 0.02 0.00 0.00 177.57 177.77 3hsa s HIS 76 N -2.29 -0.28 0.08 1.57 -3.43 -1.18 -5.04 115.29 104.72 3hsa s HIS 76 Ca -0.24 -0.04 -0.16 0.00 -0.80 0.00 0.00 55.06 53.82 3hsa s HIS 76 Cb 0.04 0.50 0.03 0.00 -1.43 0.00 0.00 32.58 31.72 3hsa s HIS 76 CO 0.53 -0.94 0.39 -0.59 -2.00 0.00 0.00 174.74 172.12 3hsa s PHE 77 N -3.84 -0.21 -0.05 0.38 -0.71 -1.26 -0.94 117.98 111.36 3hsa s PHE 77 Ca 0.06 0.01 -0.04 0.00 -1.04 0.00 0.00 56.93 55.93 3hsa s PHE 77 Cb -0.02 0.22 0.02 0.00 -1.21 0.00 0.00 43.02 42.03 3hsa s PHE 77 CO -0.05 -0.63 0.13 -1.14 -1.34 0.00 0.00 175.22 172.20 3hsa s GLN 78 N -3.17 0.13 -0.10 1.99 0.74 -1.26 -5.01 119.66 112.98 3hsa s GLN 78 Ca -0.01 0.24 0.04 0.00 0.05 0.00 0.00 55.36 55.67 3hsa s GLN 78 Cb 0.01 -0.01 0.00 0.00 1.10 0.00 0.00 33.01 34.11 3hsa s GLN 78 CO -0.07 -0.06 -0.23 0.08 -0.55 0.00 0.00 175.29 174.45 3hsa s VAL 79 N 0.41 2.00 -0.06 1.34 1.01 -1.26 -4.31 120.40 119.53 3hsa s VAL 79 Ca -0.03 -0.98 0.05 0.00 0.00 0.00 0.00 61.98 61.02 3hsa s VAL 79 Cb -0.04 -1.73 -0.02 0.00 0.00 0.00 0.00 36.38 34.59 3hsa s VAL 79 CO -0.02 0.55 -0.20 -1.61 0.00 0.00 0.00 175.10 173.82 3hsa s GLU 80 N 0.41 2.54 0.83 2.72 2.02 -0.41 -4.99 118.70 121.82 3hsa s GLU 80 Ca -0.18 -0.81 -0.11 0.00 0.02 0.00 0.00 54.97 53.89 3hsa s GLU 80 Cb -0.18 -2.27 0.09 0.00 0.10 0.00 0.00 34.13 31.87 3hsa s GLU 80 CO 0.08 0.49 1.09 0.95 0.02 0.00 0.00 175.26 177.89 3hsa s THR 81 N -0.41 2.96 0.09 3.63 -4.23 -1.26 -0.79 115.64 115.64 3hsa s THR 81 Ca 0.04 0.31 -0.27 0.00 -1.18 0.00 0.00 61.69 60.60 3hsa s THR 81 Cb -0.12 -2.97 -0.14 0.00 1.34 0.00 0.00 72.50 70.61 3hsa s THR 81 CO 0.02 -0.41 1.68 0.00 -0.54 0.00 0.00 174.62 175.37 3hsa h ALA 82 N -1.23 -0.36 0.00 3.99 0.00 -1.91 -3.43 119.26 116.32 3hsa h ALA 82 Ca -0.48 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.37 3hsa h ALA 82 Cb 1.27 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.26 3hsa h ALA 82 CO 0.57 -0.71 0.00 0.41 0.00 0.00 0.00 179.25 179.52 3hsa n GLY 83 N -1.27 2.41 3.45 0.00 0.00 -1.26 -4.77 105.19 103.74 3hsa n GLY 83 Ca -0.09 -0.48 -0.22 0.00 0.00 0.00 0.00 46.02 45.23 3hsa n GLY 83 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hsa s THR 84 N 0.00 1.73 -0.18 2.61 -4.23 -1.26 -5.07 115.64 109.23 3hsa s THR 84 Ca 0.00 -2.14 0.29 0.00 -1.18 0.00 0.00 61.69 58.66 3hsa s THR 84 Cb 0.00 -2.48 0.36 0.00 1.34 0.00 0.00 72.50 71.71 3hsa s THR 84 CO 0.00 -0.28 1.82 -0.26 -0.54 0.00 0.00 174.62 175.36 3hsa h PHE 85 N 2.24 0.00 -0.46 3.99 0.04 -2.05 -3.43 116.94 117.27 3hsa h PHE 85 Ca -0.40 0.00 -0.29 0.00 2.80 0.00 0.00 57.97 60.08 3hsa h PHE 85 Cb 1.24 0.00 -0.12 0.00 2.20 0.00 0.00 35.95 39.27 3hsa h PHE 85 CO 0.69 0.00 0.28 -0.40 -0.60 0.00 0.00 178.31 178.29 3hsa n ASP 86 N -2.96 6.19 -4.21 2.17 5.75 -1.26 -5.16 116.55 117.07 3hsa n ASP 86 Ca 0.02 -2.94 -0.13 0.00 -0.01 0.00 0.00 54.79 51.74 3hsa n ASP 86 Cb 0.38 -1.13 -0.10 0.00 -1.03 0.00 0.00 41.12 39.24 3hsa n ASP 86 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 3hsa s ASP 88 N 0.65 1.51 0.72 -1.12 1.01 -1.26 -5.21 116.67 112.97 3hsa s ASP 88 Ca 0.33 -0.98 -0.15 0.00 0.71 0.00 0.00 52.55 52.46 3hsa s ASP 88 Cb 0.23 0.03 0.04 0.00 1.01 0.00 0.00 42.92 44.23 3hsa s ASP 88 CO -0.04 -0.37 1.19 0.00 0.21 0.00 0.00 175.17 176.16 3hsa s ALA 89 N -3.30 2.15 -0.01 5.23 0.00 -1.25 -4.18 121.76 120.41 3hsa s ALA 89 Ca 0.13 0.83 0.01 0.00 0.00 0.00 0.00 51.96 52.93 3hsa s ALA 89 Cb 0.03 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.70 3hsa s ALA 89 CO -0.01 -1.81 -0.03 -2.00 0.00 0.00 0.00 175.76 171.90 3hsa s GLU 90 N -3.95 0.31 0.21 0.00 2.12 0.03 -0.65 118.70 116.76 3hsa s GLU 90 Ca 0.73 -0.08 0.03 0.00 0.36 0.00 0.00 54.97 56.01 3hsa s GLU 90 Cb -0.28 -0.34 0.03 0.00 0.26 0.00 0.00 34.13 33.80 3hsa s GLU 90 CO 0.45 0.03 0.21 -0.11 -0.54 0.00 0.00 175.26 175.30 3hsa n LEU 91 N 3.27 0.00 0.00 2.70 7.94 -1.26 -1.29 117.00 128.36 3hsa n LEU 91 Ca -0.16 -0.99 0.00 0.00 -1.11 0.00 0.00 56.01 53.74 3hsa n LEU 91 Cb 0.57 -0.07 0.00 0.00 0.53 0.00 0.00 43.42 44.44 3hsa n LEU 91 CO 0.25 -0.46 0.00 -0.11 -1.11 0.00 0.00 177.39 175.96 3hsa n LEU 93 N 0.00 0.00 -4.76 -1.96 7.94 -0.14 -4.25 117.00 113.83 3hsa n LEU 93 Ca 0.02 0.00 -0.36 0.00 -1.11 0.00 0.00 56.01 54.56 3hsa n LEU 93 Cb 0.23 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 44.10 3hsa n LEU 93 CO 0.14 0.00 -0.12 0.26 -1.11 0.00 0.00 177.39 176.55 3hsa s TRP 94 N 0.00 3.47 0.08 1.96 0.51 -0.11 -0.13 118.94 124.73 3hsa s TRP 94 Ca 0.00 0.46 0.08 0.00 -2.12 0.00 0.00 56.10 54.53 3hsa s TRP 94 Cb 0.00 -2.17 -0.03 0.00 -0.81 0.00 0.00 33.47 30.46 3hsa s TRP 94 CO 0.00 0.38 -0.22 0.96 -0.51 0.00 0.00 176.95 177.55 3hsa s ILE 95 N 0.06 1.83 0.50 2.03 -4.36 -1.26 -1.07 121.20 118.93 3hsa s ILE 95 Ca 0.12 -1.44 -0.23 0.00 -0.26 0.00 0.00 60.65 58.84 3hsa s ILE 95 Cb -0.12 -1.62 -0.06 0.00 1.25 0.00 0.00 42.46 41.91 3hsa s ILE 95 CO 0.01 0.10 1.32 -0.55 0.24 0.00 0.00 174.94 176.06 3hsa s SER 96 N -1.61 5.62 0.00 4.36 0.15 0.74 -2.78 113.70 120.18 3hsa s SER 96 Ca 0.08 2.68 0.00 0.00 0.70 0.00 0.00 55.95 59.41 3hsa s SER 96 Cb -0.10 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.58 3hsa s SER 96 CO 0.03 -1.32 0.00 0.61 1.20 0.00 0.00 173.24 173.76 3hsa n GLY 97 N 0.64 0.39 2.79 9.45 0.00 -1.26 -4.96 105.19 112.24 3hsa n GLY 97 Ca 0.08 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.89 3hsa n GLY 97 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3hsa s GLN 98 N -0.69 0.53 0.03 1.61 0.74 -1.12 -5.07 119.66 115.69 3hsa s GLN 98 Ca 0.00 0.10 -0.18 0.00 0.05 0.00 0.00 55.36 55.33 3hsa s GLN 98 Cb 0.00 -0.83 -0.21 0.00 1.10 0.00 0.00 33.01 33.07 3hsa s GLN 98 CO 0.00 -0.25 1.17 1.25 -0.55 0.00 0.00 175.29 176.92 3hsa h HIS 99 N 8.01 0.69 -3.57 1.67 -0.00 -1.93 -3.40 115.15 116.62 3hsa h HIS 99 Ca -0.25 -0.34 -0.52 0.00 -0.00 0.00 0.00 60.37 59.26 3hsa h HIS 99 Cb 1.13 -0.09 -0.03 0.00 -0.00 0.00 0.00 27.41 28.42 3hsa h HIS 99 CO 0.49 1.13 0.24 -1.21 -0.00 0.00 0.00 177.93 178.57 3hsa s GLU 100 N -3.46 4.64 0.62 5.26 0.41 -1.26 -5.00 118.70 119.90 3hsa s GLU 100 Ca -0.13 1.25 -0.17 0.00 -0.41 0.00 0.00 54.97 55.52 3hsa s GLU 100 Cb 0.05 -3.29 -0.02 0.00 -1.78 0.00 0.00 34.13 29.08 3hsa s GLU 100 CO 0.83 0.48 1.13 -1.25 -0.49 0.00 0.00 175.26 175.97 3hsa s PRO 101 N -0.87 2.97 0.17 0.39 0.04 -1.26 -4.77 135.00 131.66 3hsa s PRO 101 Ca 0.38 1.54 -0.30 0.00 0.04 0.00 0.00 61.00 62.66 3hsa s PRO 101 Cb -0.23 -1.96 -0.08 0.00 0.04 0.00 0.00 34.50 32.27 3hsa s PRO 101 CO 0.27 -1.15 1.17 -0.51 0.04 0.00 0.00 177.00 176.83 3hsa s LEU 102 N -4.43 4.45 0.33 -3.56 1.43 0.82 -4.86 118.68 112.86 3hsa s LEU 102 Ca 0.71 2.18 0.07 0.00 -1.03 0.00 0.00 54.13 56.05 3hsa s LEU 102 Cb -0.23 -3.60 -0.06 0.00 0.03 0.00 0.00 46.19 42.32 3hsa s LEU 102 CO 0.36 -0.34 -0.04 -0.69 0.23 0.00 0.00 176.35 175.87 3hsa s VAL 103 N -0.01 1.82 -0.04 -1.59 1.01 -1.26 -0.97 120.40 119.35 3hsa s VAL 103 Ca 0.52 -2.11 0.06 0.00 0.00 0.00 0.00 61.98 60.46 3hsa s VAL 103 Cb -0.31 -2.66 -0.01 0.00 0.00 0.00 0.00 36.38 33.40 3hsa s VAL 103 CO 0.36 -0.17 -0.23 -1.61 0.00 0.00 0.00 175.10 173.45 3hsa s GLU 105 N -3.71 2.20 0.44 2.72 2.02 -1.26 -4.99 118.70 116.12 3hsa s GLU 105 Ca 0.32 -0.82 0.08 0.00 0.02 0.00 0.00 54.97 54.58 3hsa s GLU 105 Cb 0.05 -1.93 0.00 0.00 0.10 0.00 0.00 34.13 32.35 3hsa s GLU 105 CO 0.15 0.38 0.46 -0.51 0.02 0.00 0.00 175.26 175.76 3hsa s LEU 106 N -0.21 3.39 -0.10 1.80 1.43 0.17 -4.59 118.68 120.57 3hsa s LEU 106 Ca -0.01 -0.71 -0.04 0.00 -1.03 0.00 0.00 54.13 52.35 3hsa s LEU 106 Cb -0.12 -2.12 -0.04 0.00 0.03 0.00 0.00 46.19 43.95 3hsa s LEU 106 CO 0.02 -0.77 0.05 -0.13 0.23 0.00 0.00 176.35 175.75 3hsa s ARG 108 N -4.24 3.20 0.00 1.70 0.52 -1.26 -3.74 118.95 115.12 3hsa s ARG 108 Ca 0.50 -0.31 0.00 0.00 -0.52 0.00 0.00 55.73 55.40 3hsa s ARG 108 Cb -0.05 -2.95 0.00 0.00 0.52 0.00 0.00 34.95 32.47 3hsa s ARG 108 CO 0.30 0.70 0.00 0.41 0.02 0.00 0.00 175.30 176.73 3hsa n GLY 109 N 2.17 3.19 3.96 -3.53 0.00 -1.26 -5.03 105.19 104.70 3hsa n GLY 109 Ca -0.19 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.56 3hsa n GLY 109 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hsa s THR 110 N -1.91 2.05 -1.40 2.61 -4.23 -1.26 -4.95 115.64 106.55 3hsa s THR 110 Ca 0.00 -0.24 -0.12 0.00 -1.18 0.00 0.00 61.69 60.15 3hsa s THR 110 Cb 0.00 -2.81 0.08 0.00 1.34 0.00 0.00 72.50 71.11 3hsa s THR 110 CO 0.00 0.00 2.16 -0.67 -0.54 0.00 0.00 174.62 175.57 3hsa n ASP 111 N -3.39 4.79 -0.18 3.99 -0.08 -1.26 -4.72 116.55 115.71 3hsa n ASP 111 Ca 0.15 -2.93 -0.08 0.00 -1.51 0.00 0.00 54.79 50.42 3hsa n ASP 111 Cb 0.60 -1.58 0.01 0.00 2.34 0.00 0.00 41.12 42.50 3hsa n ASP 111 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 3hsa h VAL 112 N 3.78 1.20 0.11 5.18 2.07 -1.95 -2.54 116.25 124.11 3hsa h VAL 112 Ca 0.54 -0.57 -0.25 0.00 0.82 0.00 0.00 66.70 67.24 3hsa h VAL 112 Cb 0.60 0.64 0.03 0.00 -1.52 0.00 0.00 31.29 31.03 3hsa h VAL 112 CO 1.78 0.22 -1.04 0.58 0.02 0.00 0.00 177.57 179.13 3hsa h VAL 113 N 0.67 1.36 -0.48 2.57 2.07 -2.01 -3.30 116.25 117.13 3hsa h VAL 113 Ca 0.17 -2.41 0.06 0.00 0.82 0.00 0.00 66.70 65.34 3hsa h VAL 113 Cb 0.13 2.81 -0.05 0.00 -1.52 0.00 0.00 31.29 32.65 3hsa h VAL 113 CO -0.02 0.72 0.18 1.23 0.02 0.00 0.00 177.57 179.69 3hsa h GLY 114 N 0.06 0.64 1.78 2.17 0.00 -1.94 -2.37 103.07 103.41 3hsa h GLY 114 Ca -0.16 -0.10 -0.05 0.00 0.00 0.00 0.00 47.33 47.02 3hsa h GLY 114 CO 0.20 0.02 -0.10 1.19 0.00 0.00 0.00 176.54 177.85 3hsa h ILE 115 N 0.35 1.17 0.00 2.60 2.10 -1.56 -0.61 117.51 121.56 3hsa h ILE 115 Ca 0.23 -0.73 0.00 0.00 1.08 0.00 0.00 64.86 65.44 3hsa h ILE 115 Cb 0.23 1.15 0.00 0.00 -1.09 0.00 0.00 36.82 37.11 3hsa h ILE 115 CO -0.23 0.23 0.00 0.00 -1.08 0.00 0.00 178.15 177.07 3hsa n GLN 116 N -4.29 0.40 0.00 2.19 6.02 -0.89 -1.05 117.38 119.76 3hsa n GLN 116 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3hsa n GLN 116 Cb 0.25 -1.25 0.00 0.00 1.02 0.00 0.00 30.24 30.26 3hsa n GLN 116 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 3hsa n THR 118 N 0.53 0.00 -0.22 5.09 -1.04 -0.24 -1.74 114.28 116.66 3hsa n THR 118 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3hsa n THR 118 Cb 0.15 0.00 0.12 0.00 -1.82 0.00 0.00 70.33 68.77 3hsa n THR 118 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 3hsa h ILE 119 N 0.00 0.85 -0.38 12.58 2.04 -1.35 -1.99 117.51 129.27 3hsa h ILE 119 Ca 0.00 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 65.66 3hsa h ILE 119 Cb 0.00 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 36.32 3hsa h ILE 119 CO 0.00 0.10 0.20 0.00 0.00 0.00 0.00 178.15 178.45 3hsa h ALA 120 N 1.40 0.48 -0.25 1.87 0.00 -1.60 -0.08 119.26 121.08 3hsa h ALA 120 Ca 0.32 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.19 3hsa h ALA 120 Cb 0.32 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 3hsa h ALA 120 CO -0.26 0.02 -0.05 0.00 0.00 0.00 0.00 179.25 178.96 3hsa h ARG 121 N 0.48 0.01 -0.00 0.00 3.08 -1.73 -1.85 114.38 114.36 3hsa h ARG 121 Ca 0.13 -0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.96 3hsa h ARG 121 Cb 0.07 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.12 3hsa h ARG 121 CO -0.02 0.01 -0.92 1.88 -1.07 0.00 0.00 179.97 179.85 3hsa h TYR 122 N 0.01 0.53 0.11 3.04 0.05 -1.21 -1.54 116.97 117.95 3hsa h TYR 122 Ca 0.12 -0.29 -0.29 0.00 0.05 0.00 0.00 58.73 58.32 3hsa h TYR 122 Cb 0.18 -0.06 -0.01 0.00 1.01 0.00 0.00 36.73 37.85 3hsa h TYR 122 CO -0.24 1.10 -1.42 0.00 -1.05 0.00 0.00 178.16 176.54 3hsa h ALA 123 N 0.80 0.25 0.00 3.88 0.00 -1.03 -3.35 119.26 119.81 3hsa h ALA 123 Ca -0.07 -1.05 -0.17 0.00 0.00 0.00 0.00 54.91 53.62 3hsa h ALA 123 Cb 1.55 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 19.49 3hsa h ALA 123 CO 0.15 1.12 -1.99 1.28 0.00 0.00 0.00 179.25 179.81 3hsa n LEU 124 N -3.45 0.20 0.00 0.00 4.77 -0.70 -5.02 117.00 112.81 3hsa n LEU 124 Ca -0.13 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 3hsa n LEU 124 Cb 1.03 0.20 0.00 0.00 -2.33 0.00 0.00 43.42 42.32 3hsa n LEU 124 CO 0.51 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 177.39