#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3htr s GLU 4 N 0.00 3.00 -0.08 -0.52 0.41 -1.26 -5.04 118.70 115.20 3htr s GLU 4 Ca 0.00 -1.58 -0.17 0.00 -0.41 0.00 0.00 54.97 52.80 3htr s GLU 4 Cb 0.00 -4.26 -0.05 0.00 -1.78 0.00 0.00 34.13 28.04 3htr s GLU 4 CO 0.00 -1.28 0.46 0.99 -0.49 0.00 0.00 175.26 174.93 3htr s THR 5 N 1.73 5.13 0.00 3.63 2.01 -1.26 -4.87 115.64 122.01 3htr s THR 5 Ca 0.04 0.92 0.00 0.00 0.31 0.00 0.00 61.69 62.96 3htr s THR 5 Cb -0.28 -3.79 0.00 0.00 0.01 0.00 0.00 72.50 68.44 3htr s THR 5 CO 0.04 0.40 0.44 -0.46 -0.69 0.00 0.00 174.62 174.36 3htr n ASN 6 N 3.12 0.81 -3.77 3.53 0.23 -1.26 -4.95 115.26 112.97 3htr n ASN 6 Ca -0.09 -1.15 -0.13 0.00 -0.53 0.00 0.00 54.58 52.68 3htr n ASN 6 Cb 0.52 0.00 -0.11 0.00 -2.08 0.00 0.00 39.78 38.11 3htr n ASN 6 CO 0.00 0.00 0.00 -0.70 -0.93 0.00 0.00 177.26 175.63 3htr s GLU 7 N -0.15 0.42 0.40 -3.83 2.12 -1.26 0.14 118.70 116.54 3htr s GLU 7 Ca 0.00 0.28 0.03 0.00 0.36 0.00 0.00 54.97 55.64 3htr s GLU 7 Cb 0.00 0.20 -0.01 0.00 0.26 0.00 0.00 34.13 34.58 3htr s GLU 7 CO 0.00 -0.07 0.11 2.41 -0.54 0.00 0.00 175.26 177.16 3htr n THR 8 N 2.55 0.00 -0.09 -1.70 -1.04 0.17 -5.02 114.28 109.15 3htr n THR 8 Ca -0.15 -2.20 -0.11 0.00 -2.04 0.00 0.00 64.05 59.55 3htr n THR 8 Cb 0.57 0.71 -0.03 0.00 -1.82 0.00 0.00 70.33 69.76 3htr n THR 8 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3htr h LEU 9 N 0.00 0.44 0.00 -4.42 5.85 -2.05 -3.35 115.31 111.78 3htr h LEU 9 Ca -0.31 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.16 3htr h LEU 9 Cb 1.13 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.05 3htr h LEU 9 CO 0.50 0.58 -1.22 0.29 -0.34 0.00 0.00 178.44 178.25 3htr n LYS 10 N -4.67 0.54 -4.53 1.25 5.02 -1.26 -4.98 118.16 109.53 3htr n LYS 10 Ca -0.03 -0.05 -0.26 0.00 -2.02 0.00 0.00 58.31 55.95 3htr n LYS 10 Cb 0.20 -1.44 -0.14 0.00 -0.02 0.00 0.00 35.03 33.63 3htr n LYS 10 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3htr s LEU 11 N -3.36 2.22 -0.03 -0.35 1.43 -1.26 -5.15 118.68 112.19 3htr s LEU 11 Ca 0.03 -0.60 0.02 0.00 -1.03 0.00 0.00 54.13 52.55 3htr s LEU 11 Cb 0.14 -0.99 0.01 0.00 0.03 0.00 0.00 46.19 45.38 3htr s LEU 11 CO 0.82 0.14 -0.08 -0.51 0.23 0.00 0.00 176.35 176.94 3htr s ILE 12 N -0.94 0.73 0.28 -0.59 1.10 -1.26 -0.65 121.20 119.87 3htr s ILE 12 Ca 0.08 -0.31 -0.29 0.00 -0.51 0.00 0.00 60.65 59.62 3htr s ILE 12 Cb -0.09 -0.66 -0.09 0.00 0.15 0.00 0.00 42.46 41.76 3htr s ILE 12 CO 0.03 0.24 1.05 -0.83 -2.11 0.00 0.00 174.94 173.31 3htr s GLY 13 N 0.34 3.04 0.57 1.50 0.00 0.12 -4.91 107.32 107.98 3htr s GLY 13 Ca -0.05 0.79 0.26 0.00 0.00 0.00 0.00 44.72 45.72 3htr s GLY 13 CO 0.01 1.36 2.21 1.48 0.00 0.00 0.00 173.10 178.15 3htr h SER 14 N 3.74 0.00 1.36 1.64 4.64 -1.99 0.39 113.55 123.33 3htr h SER 14 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 3htr h SER 14 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3htr h SER 14 CO 0.67 0.00 0.00 -2.24 -0.87 0.00 0.00 176.83 174.39 3htr h ASP 15 N 0.00 0.00 0.11 4.97 2.03 -1.91 -1.74 116.42 119.88 3htr h ASP 15 Ca 0.01 0.00 -0.34 0.00 -0.73 0.00 0.00 57.03 55.98 3htr h ASP 15 Cb 0.07 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.56 3htr h ASP 15 CO -0.00 0.00 -1.81 0.50 -1.03 0.00 0.00 179.24 176.90 3htr h LYS 16 N 0.00 0.24 -0.41 4.15 1.63 -0.60 -3.35 116.57 118.23 3htr h LYS 16 Ca 0.00 -0.41 0.07 0.00 -0.85 0.00 0.00 60.65 59.46 3htr h LYS 16 Cb 0.68 0.15 -0.06 0.00 -0.60 0.00 0.00 32.23 32.40 3htr h LYS 16 CO 0.00 1.19 0.06 0.28 -3.45 0.00 0.00 179.45 177.53 3htr h VAL 17 N -0.13 0.76 -2.64 2.00 2.07 -0.95 -3.37 116.25 113.99 3htr h VAL 17 Ca -0.39 -0.06 -0.53 0.00 0.82 0.00 0.00 66.70 66.53 3htr h VAL 17 Cb 1.90 0.57 0.02 0.00 -1.52 0.00 0.00 31.29 32.26 3htr h VAL 17 CO 0.05 0.03 1.04 -1.10 0.02 0.00 0.00 177.57 177.61 3htr s GLN 18 N -6.16 4.18 0.00 1.57 -0.21 -0.66 -1.78 119.66 116.60 3htr s GLN 18 Ca -0.13 2.38 0.00 0.00 0.02 0.00 0.00 55.36 57.63 3htr s GLN 18 Cb 0.14 -3.65 0.00 0.00 1.00 0.00 0.00 33.01 30.50 3htr s GLN 18 CO 0.71 -0.77 0.00 0.41 -2.12 0.00 0.00 175.29 173.52 3htr n GLY 19 N 4.07 0.68 3.73 3.09 0.00 0.20 -4.90 105.19 112.05 3htr n GLY 19 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 3htr n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3htr s THR 20 N -2.59 4.30 0.47 2.61 2.01 -0.73 -4.78 115.64 116.93 3htr s THR 20 Ca 0.00 1.91 -0.24 0.00 0.31 0.00 0.00 61.69 63.67 3htr s THR 20 Cb 0.00 -4.22 -0.07 0.00 0.01 0.00 0.00 72.50 68.22 3htr s THR 20 CO 0.00 0.30 1.36 0.00 -0.69 0.00 0.00 174.62 175.58 3htr s ALA 21 N -0.02 3.08 -0.10 7.40 0.00 -1.26 -1.19 121.76 129.68 3htr s ALA 21 Ca 0.48 1.33 0.02 0.00 0.00 0.00 0.00 51.96 53.80 3htr s ALA 21 Cb -0.25 -3.54 0.01 0.00 0.00 0.00 0.00 23.12 19.33 3htr s ALA 21 CO 0.31 -1.14 -0.17 0.08 0.00 0.00 0.00 175.76 174.85 3htr s VAL 22 N -1.28 1.56 0.17 0.00 1.01 -0.29 -0.08 120.40 121.50 3htr s VAL 22 Ca 0.64 -0.70 0.09 0.00 0.00 0.00 0.00 61.98 62.00 3htr s VAL 22 Cb -0.40 -1.41 -0.04 0.00 0.00 0.00 0.00 36.38 34.53 3htr s VAL 22 CO 0.50 0.45 -0.10 -0.31 0.00 0.00 0.00 175.10 175.64 3htr s TYR 23 N 0.78 2.63 0.38 5.22 2.02 0.15 -1.03 117.35 127.51 3htr s TYR 23 Ca -0.11 -0.22 -0.02 0.00 -0.37 0.00 0.00 57.07 56.35 3htr s TYR 23 Cb -0.16 -1.29 0.08 0.00 -0.40 0.00 0.00 41.96 40.19 3htr s TYR 23 CO 0.02 0.50 0.52 0.41 -1.57 0.00 0.00 175.55 175.43 3htr n GLY 24 N 0.10 0.31 0.37 0.71 0.00 -0.02 -1.35 105.19 105.31 3htr n GLY 24 Ca -0.11 -1.93 0.10 0.00 0.00 0.00 0.00 46.02 44.08 3htr n GLY 24 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3htr h PRO 25 N 0.00 0.76 -0.00 1.61 0.11 -1.79 -0.83 132.00 131.86 3htr h PRO 25 Ca -0.17 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.89 3htr h PRO 25 Cb 0.60 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.54 3htr h PRO 25 CO 0.17 0.50 -0.01 -0.40 -0.21 0.00 0.00 178.00 178.06 3htr n ASP 26 N -4.58 0.08 0.00 -2.05 5.68 -1.26 -4.89 116.55 109.53 3htr n ASP 26 Ca 0.18 -0.77 0.00 0.00 -0.50 0.00 0.00 54.79 53.69 3htr n ASP 26 Cb 0.43 -0.08 0.00 0.00 -1.14 0.00 0.00 41.12 40.33 3htr n ASP 26 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3htr n GLY 27 N 1.09 0.46 3.81 6.12 0.00 -0.32 -5.04 105.19 111.32 3htr n GLY 27 Ca 0.21 -0.38 -0.37 0.00 0.00 0.00 0.00 46.02 45.48 3htr n GLY 27 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3htr s GLU 28 N -0.70 4.24 0.06 1.61 2.12 -1.26 -4.81 118.70 119.96 3htr s GLU 28 Ca 0.00 0.83 -0.31 0.00 0.36 0.00 0.00 54.97 55.86 3htr s GLU 28 Cb 0.00 -2.98 -0.06 0.00 0.26 0.00 0.00 34.13 31.35 3htr s GLU 28 CO 0.00 0.46 1.29 0.21 -0.54 0.00 0.00 175.26 176.68 3htr s LYS 29 N -1.77 4.37 -0.22 4.30 2.20 -1.26 -0.84 119.74 126.52 3htr s LYS 29 Ca 0.40 1.88 -0.06 0.00 -0.36 0.00 0.00 55.97 57.83 3htr s LYS 29 Cb -0.18 -3.37 -0.19 0.00 -1.51 0.00 0.00 37.83 32.58 3htr s LYS 29 CO 0.21 -0.38 -0.03 -0.89 -0.36 0.00 0.00 175.35 173.91 3htr n ILE 30 N 4.10 1.59 0.00 5.43 5.41 -0.20 -4.92 119.36 130.77 3htr n ILE 30 Ca 0.10 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.35 3htr n ILE 30 Cb 0.45 -1.66 0.00 0.00 -0.71 0.00 0.00 39.64 37.72 3htr n ILE 30 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3htr n GLY 31 N 1.92 -0.93 3.52 7.39 0.00 -1.17 -4.47 105.19 111.44 3htr n GLY 31 Ca -0.42 -0.07 -0.09 0.00 0.00 0.00 0.00 46.02 45.44 3htr n GLY 31 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3htr s SER 32 N -4.00 -0.12 -0.21 1.61 1.04 -0.69 -1.14 113.70 110.19 3htr s SER 32 Ca 0.00 -0.76 -0.29 0.00 0.48 0.00 0.00 55.95 55.38 3htr s SER 32 Cb 0.00 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.68 3htr s SER 32 CO 0.00 -1.06 1.09 -0.63 0.98 0.00 0.00 173.24 173.61 3htr s ILE 33 N -3.96 4.60 -0.01 -1.02 -1.09 -0.33 -1.04 121.20 118.36 3htr s ILE 33 Ca 0.16 1.93 0.04 0.00 -2.23 0.00 0.00 60.65 60.55 3htr s ILE 33 Cb -0.00 -4.24 -0.25 0.00 -1.58 0.00 0.00 42.46 36.39 3htr s ILE 33 CO 0.03 -0.16 0.81 -0.08 -1.23 0.00 0.00 174.94 174.31 3htr h GLU 34 N 7.59 0.11 -1.92 2.79 4.81 -1.07 0.58 114.58 127.48 3htr h GLU 34 Ca -0.21 -0.19 0.21 0.00 -0.13 0.00 0.00 59.36 59.03 3htr h GLU 34 Cb 1.07 0.07 -0.13 0.00 0.63 0.00 0.00 28.75 30.39 3htr h GLU 34 CO 0.97 0.87 0.64 -0.98 -0.73 0.00 0.00 179.01 179.79 3htr s ARG 35 N -2.62 0.70 0.00 1.92 1.70 -1.25 -4.77 118.95 114.64 3htr s ARG 35 Ca -0.07 -0.33 0.00 0.00 -0.47 0.00 0.00 55.73 54.86 3htr s ARG 35 Cb 0.08 0.27 0.00 0.00 -0.57 0.00 0.00 34.95 34.73 3htr s ARG 35 CO 0.83 -0.32 0.00 1.33 -1.08 0.00 0.00 175.30 176.06 3htr n VAL 36 N -0.33 0.00 -3.65 4.99 0.24 -1.26 -0.07 118.33 118.25 3htr n VAL 36 Ca -0.06 0.00 0.01 0.00 -2.04 0.00 0.00 64.34 62.25 3htr n VAL 36 Cb 0.61 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.92 3htr n VAL 36 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 3htr s ILE 38 N 3.49 0.00 -0.02 1.34 1.01 -1.26 -4.97 121.20 120.79 3htr s ILE 38 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 60.65 60.34 3htr s ILE 38 Cb 0.00 -1.00 -0.09 0.00 0.01 0.00 0.00 42.46 41.38 3htr s ILE 38 CO 0.00 0.00 2.00 -0.62 0.00 0.00 0.00 174.94 176.32 3htr n GLU 39 N 3.05 2.63 -0.05 2.79 1.02 -0.11 -4.88 120.64 125.08 3htr n GLU 39 Ca -0.17 0.94 0.10 0.00 -0.02 0.00 0.00 57.16 58.01 3htr n GLU 39 Cb 0.57 -2.97 0.49 0.00 -0.02 0.00 0.00 31.44 29.50 3htr n GLU 39 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 3htr h LYS 40 N 10.97 0.42 0.05 3.49 1.57 -1.97 -0.02 116.57 131.07 3htr h LYS 40 Ca -0.48 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.27 3htr h LYS 40 Cb 1.25 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.46 3htr h LYS 40 CO 0.95 0.28 -0.03 0.28 -0.57 0.00 0.00 179.45 180.36 3htr h VAL 41 N 0.43 0.00 0.00 0.50 2.07 -1.98 -3.39 116.25 113.88 3htr h VAL 41 Ca 0.23 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.34 3htr h VAL 41 Cb 0.37 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.14 3htr h VAL 41 CO -0.06 0.00 0.00 0.77 0.02 0.00 0.00 177.57 178.30 3htr h SER 42 N -0.49 0.00 -0.00 0.57 4.64 -1.97 -3.46 113.55 112.84 3htr h SER 42 Ca -0.01 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3htr h SER 42 Cb 0.05 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.14 3htr h SER 42 CO 0.01 0.00 -0.00 0.61 -0.87 0.00 0.00 176.83 176.58 3htr n GLY 43 N 0.97 0.32 3.83 -0.77 0.00 -0.02 -5.01 105.19 104.50 3htr n GLY 43 Ca 0.04 -0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 3htr n GLY 43 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3htr s ARG 44 N -0.71 4.05 0.04 1.61 1.70 -1.26 -4.78 118.95 119.61 3htr s ARG 44 Ca 0.00 0.57 -0.30 0.00 -0.47 0.00 0.00 55.73 55.52 3htr s ARG 44 Cb 0.00 -3.16 -0.08 0.00 -0.57 0.00 0.00 34.95 31.15 3htr s ARG 44 CO 0.00 0.62 1.67 0.08 -1.08 0.00 0.00 175.30 176.59 3htr s VAL 45 N -1.19 3.15 -0.15 4.99 1.01 -1.26 -0.94 120.40 126.01 3htr s VAL 45 Ca 0.29 0.51 -0.24 0.00 0.00 0.00 0.00 61.98 62.54 3htr s VAL 45 Cb -0.17 -3.33 -0.21 0.00 0.00 0.00 0.00 36.38 32.67 3htr s VAL 45 CO 0.17 -0.01 0.54 -1.28 0.00 0.00 0.00 175.10 174.52 3htr h SER 46 N 8.68 0.00 -5.01 3.32 0.87 -1.95 -3.45 113.55 116.00 3htr h SER 46 Ca -0.42 -0.76 -0.02 0.00 -1.23 0.00 0.00 61.79 59.35 3htr h SER 46 Cb 1.20 0.00 -0.12 0.00 -0.44 0.00 0.00 62.40 63.04 3htr h SER 46 CO 0.93 1.04 0.17 -0.72 -0.53 0.00 0.00 176.83 177.73 3htr s TYR 47 N -2.18 -0.49 -0.05 2.24 -0.85 -1.26 -4.44 117.35 110.31 3htr s TYR 47 Ca -0.19 0.27 -0.06 0.00 -0.52 0.00 0.00 57.07 56.57 3htr s TYR 47 Cb -0.01 0.52 -0.04 0.00 0.38 0.00 0.00 41.96 42.81 3htr s TYR 47 CO 0.58 -0.83 0.19 0.00 -1.52 0.00 0.00 175.55 173.97 3htr s ALA 48 N -3.76 3.90 -0.41 9.51 0.00 0.38 -4.57 121.76 126.81 3htr s ALA 48 Ca 0.01 -0.66 -0.16 0.00 0.00 0.00 0.00 51.96 51.15 3htr s ALA 48 Cb -0.01 -1.97 0.02 0.00 0.00 0.00 0.00 23.12 21.16 3htr s ALA 48 CO -0.13 0.67 0.38 0.08 0.00 0.00 0.00 175.76 176.76 3htr s VAL 49 N -1.19 5.16 -0.28 0.00 1.01 0.90 -0.77 120.40 125.22 3htr s VAL 49 Ca 0.22 -0.43 -0.24 0.00 0.00 0.00 0.00 61.98 61.53 3htr s VAL 49 Cb -0.13 -3.98 -0.00 0.00 0.00 0.00 0.00 36.38 32.27 3htr s VAL 49 CO 0.12 -0.36 0.79 -0.22 0.00 0.00 0.00 175.10 175.44 3htr s LEU 50 N 1.96 4.08 -0.09 3.92 2.96 0.50 -0.41 118.68 131.60 3htr s LEU 50 Ca 0.09 0.78 -0.16 0.00 -0.22 0.00 0.00 54.13 54.63 3htr s LEU 50 Cb -0.18 -3.10 -0.05 0.00 0.50 0.00 0.00 46.19 43.36 3htr s LEU 50 CO 0.12 -0.57 0.40 -0.55 -1.32 0.00 0.00 176.35 174.43 3htr s SER 51 N 1.53 6.66 0.05 3.68 0.15 -0.21 -0.12 113.70 125.44 3htr s SER 51 Ca 0.33 0.78 -0.15 0.00 0.70 0.00 0.00 55.95 57.61 3htr s SER 51 Cb -0.14 -2.24 0.03 0.00 -1.71 0.00 0.00 66.02 61.95 3htr s SER 51 CO 0.11 0.15 0.34 0.72 1.20 0.00 0.00 173.24 175.75 3htr s PHE 52 N -0.04 -0.15 0.14 3.44 -0.12 -0.68 -1.70 117.98 118.86 3htr s PHE 52 Ca 0.22 0.03 0.00 0.00 -0.05 0.00 0.00 56.93 57.14 3htr s PHE 52 Cb -0.15 0.14 0.00 0.00 -0.63 0.00 0.00 43.02 42.38 3htr s PHE 52 CO 0.10 -0.54 0.00 0.41 -0.05 0.00 0.00 175.22 175.14 3htr n GLY 53 N 0.50 -3.15 7.00 1.99 0.00 -1.26 0.10 105.19 110.37 3htr n GLY 53 Ca -0.18 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.67 3htr n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3htr n GLY 54 N -1.63 1.46 3.42 -0.02 0.00 -1.25 -3.88 105.19 103.28 3htr n GLY 54 Ca 0.00 -0.49 -0.26 0.00 0.00 0.00 0.00 46.02 45.27 3htr n GLY 54 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3htr s PHE 55 N 0.00 2.24 -0.02 1.61 0.08 0.19 -4.84 117.98 117.24 3htr s PHE 55 Ca 0.00 -0.37 -0.35 0.00 0.12 0.00 0.00 56.93 56.33 3htr s PHE 55 Cb 0.00 -1.09 -0.14 0.00 -0.57 0.00 0.00 43.02 41.22 3htr s PHE 55 CO 0.00 0.51 1.70 1.28 -0.10 0.00 0.00 175.22 178.60 3htr n LEU 56 N 0.16 2.96 0.00 -0.37 4.32 -1.26 -0.89 117.00 121.92 3htr n LEU 56 Ca -0.12 1.04 0.00 0.00 -0.02 0.00 0.00 56.01 56.91 3htr n LEU 56 Cb 0.57 -1.33 0.00 0.00 -1.62 0.00 0.00 43.42 41.03 3htr n LEU 56 CO 0.30 -0.31 0.00 0.61 -1.22 0.00 0.00 177.39 176.78 3htr n GLY 57 N 3.82 3.07 2.69 -0.72 0.00 -1.26 -4.96 105.19 107.83 3htr n GLY 57 Ca 0.21 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.98 3htr n GLY 57 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3htr s ILE 58 N -2.02 0.20 -0.24 -0.61 -4.36 -0.07 -4.85 121.20 109.25 3htr s ILE 58 Ca 0.00 -0.17 0.00 0.00 -0.26 0.00 0.00 60.65 60.22 3htr s ILE 58 Cb 0.00 -0.67 0.00 0.00 1.25 0.00 0.00 42.46 43.04 3htr s ILE 58 CO 0.00 -0.10 0.00 0.61 0.24 0.00 0.00 174.94 175.69 3htr n GLY 59 N 5.18 0.51 3.93 6.27 0.00 -1.26 -0.64 105.19 119.18 3htr n GLY 59 Ca -0.07 -0.20 -0.25 0.00 0.00 0.00 0.00 46.02 45.50 3htr n GLY 59 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3htr s ASP 60 N -2.26 5.11 0.43 1.61 -4.77 -1.23 -3.85 116.67 111.70 3htr s ASP 60 Ca 0.00 0.45 0.07 0.00 -3.30 0.00 0.00 52.55 49.77 3htr s ASP 60 Cb 0.00 -1.24 -0.04 0.00 -1.09 0.00 0.00 42.92 40.55 3htr s ASP 60 CO 0.00 -1.37 0.20 -1.81 0.70 0.00 0.00 175.17 172.89 3htr s ASP 61 N -4.44 4.45 -0.03 2.11 1.01 0.11 -4.95 116.67 114.94 3htr s ASP 61 Ca 0.58 -1.12 0.02 0.00 0.71 0.00 0.00 52.55 52.74 3htr s ASP 61 Cb -0.11 -0.33 0.01 0.00 1.01 0.00 0.00 42.92 43.50 3htr s ASP 61 CO 0.44 -0.62 -0.05 -1.00 0.21 0.00 0.00 175.17 174.14 3htr s HIS 62 N -2.63 0.67 -0.11 4.23 3.76 -1.26 -1.69 115.29 118.27 3htr s HIS 62 Ca 0.39 -0.16 0.01 0.00 -0.15 0.00 0.00 55.06 55.15 3htr s HIS 62 Cb 0.03 -0.53 0.02 0.00 1.11 0.00 0.00 32.58 33.21 3htr s HIS 62 CO 0.21 -0.10 -0.11 -0.47 -0.85 0.00 0.00 174.74 173.42 3htr s TYR 63 N 0.42 1.67 0.00 1.40 6.14 0.83 -4.41 117.35 123.40 3htr s TYR 63 Ca -0.05 -0.80 -0.21 0.00 0.64 0.00 0.00 57.07 56.65 3htr s TYR 63 Cb -0.09 -1.28 -0.05 0.00 0.42 0.00 0.00 41.96 40.95 3htr s TYR 63 CO 0.00 -0.47 0.62 -1.25 0.64 0.00 0.00 175.55 175.09 3htr s PRO 64 N 1.29 4.35 -0.07 4.97 0.05 -1.26 -0.37 135.00 143.96 3htr s PRO 64 Ca -0.02 0.79 0.04 0.00 0.05 0.00 0.00 61.00 61.86 3htr s PRO 64 Cb -0.14 -3.35 -0.00 0.00 0.05 0.00 0.00 34.50 31.06 3htr s PRO 64 CO -0.05 0.35 -0.20 -0.51 0.05 0.00 0.00 177.00 176.64 3htr s LEU 65 N -0.16 1.96 0.54 -3.56 1.43 0.05 -4.93 118.68 114.01 3htr s LEU 65 Ca 0.32 -0.44 -0.22 0.00 -1.03 0.00 0.00 54.13 52.76 3htr s LEU 65 Cb -0.19 -1.17 -0.05 0.00 0.03 0.00 0.00 46.19 44.81 3htr s LEU 65 CO 0.18 0.16 1.32 -2.16 0.23 0.00 0.00 176.35 176.08 3htr s PRO 66 N 0.18 3.19 0.21 1.29 0.04 -1.26 -0.47 135.00 138.18 3htr s PRO 66 Ca -0.10 2.14 -0.10 0.00 0.04 0.00 0.00 61.00 62.98 3htr s PRO 66 Cb -0.15 -2.24 0.29 0.00 0.04 0.00 0.00 34.50 32.44 3htr s PRO 66 CO 0.05 -1.12 1.70 2.35 0.04 0.00 0.00 177.00 180.01 3htr h TRP 67 N 1.47 0.15 0.00 0.56 2.91 -1.87 -0.68 115.95 118.49 3htr h TRP 67 Ca -0.51 0.04 0.00 0.00 1.13 0.00 0.00 58.89 59.55 3htr h TRP 67 Cb 1.29 0.02 0.00 0.00 -0.51 0.00 0.00 29.16 29.97 3htr h TRP 67 CO 0.47 -0.06 0.00 -1.35 -1.03 0.00 0.00 178.44 176.47 3htr h PRO 68 N 0.23 0.00 0.00 2.65 0.11 -1.97 -2.10 132.00 130.92 3htr h PRO 68 Ca 0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.42 3htr h PRO 68 Cb 0.47 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.58 3htr h PRO 68 CO -0.42 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 177.37 3htr n ALA 69 N -1.92 2.22 -3.01 -0.75 0.00 -0.26 -4.58 120.51 112.20 3htr n ALA 69 Ca -0.01 -0.10 -0.44 0.00 0.00 0.00 0.00 53.44 52.88 3htr n ALA 69 Cb 0.11 -1.41 -0.02 0.00 0.00 0.00 0.00 19.45 18.13 3htr n ALA 69 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3htr s LEU 70 N -2.79 5.39 -0.28 0.00 1.43 -0.79 -4.50 118.68 117.14 3htr s LEU 70 Ca 0.18 -2.32 -0.19 0.00 -1.03 0.00 0.00 54.13 50.77 3htr s LEU 70 Cb 0.17 -2.36 -0.02 0.00 0.03 0.00 0.00 46.19 44.01 3htr s LEU 70 CO 0.42 -0.92 0.57 -0.54 0.23 0.00 0.00 176.35 176.11 3htr s LYS 71 N 2.00 3.99 -0.28 1.70 -0.14 -1.14 -4.89 119.74 120.99 3htr s LYS 71 Ca 0.31 0.31 -0.29 0.00 -1.36 0.00 0.00 55.97 54.95 3htr s LYS 71 Cb -0.06 -3.69 -0.00 0.00 -1.68 0.00 0.00 37.83 32.41 3htr s LYS 71 CO -0.08 -0.45 1.29 -0.47 -0.76 0.00 0.00 175.35 174.88 3htr s TYR 72 N 2.43 2.72 -0.46 3.18 5.04 -1.26 0.65 117.35 129.66 3htr s TYR 72 Ca 0.23 0.90 -0.18 0.00 -2.44 0.00 0.00 57.07 55.58 3htr s TYR 72 Cb -0.15 -3.83 0.04 0.00 0.35 0.00 0.00 41.96 38.36 3htr s TYR 72 CO 0.10 -1.69 0.54 1.21 -1.34 0.00 0.00 175.55 174.37 3htr s ASN 73 N 2.64 6.22 0.18 4.32 3.84 0.22 -4.93 114.94 127.44 3htr s ASN 73 Ca 0.56 -0.76 -0.13 0.00 0.21 0.00 0.00 52.86 52.74 3htr s ASN 73 Cb -0.17 -2.26 0.18 0.00 -0.55 0.00 0.00 41.25 38.44 3htr s ASN 73 CO 0.21 -0.73 1.75 0.58 -2.79 0.00 0.00 177.10 176.12 3htr h VAL 74 N 5.81 0.82 -0.64 -5.21 2.07 -1.94 0.19 116.25 117.35 3htr h VAL 74 Ca -0.27 -0.12 0.06 0.00 0.82 0.00 0.00 66.70 67.19 3htr h VAL 74 Cb 1.10 0.44 -0.05 0.00 -1.52 0.00 0.00 31.29 31.26 3htr h VAL 74 CO 0.88 0.06 0.35 -0.33 0.02 0.00 0.00 177.57 178.55 3htr h GLU 75 N 0.35 0.63 0.00 1.57 5.08 -1.94 -2.39 114.58 117.87 3htr h GLU 75 Ca 0.24 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 3htr h GLU 75 Cb 0.26 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.37 3htr h GLU 75 CO -0.25 0.41 -0.44 -0.07 -1.00 0.00 0.00 179.01 177.66 3htr h LEU 76 N 0.64 0.00 -2.21 1.33 3.38 -1.87 -3.48 115.31 113.11 3htr h LEU 76 Ca 0.29 -0.03 -0.16 0.00 0.09 0.00 0.00 57.88 58.06 3htr h LEU 76 Cb 0.19 0.00 0.10 0.00 0.09 0.00 0.00 40.66 41.04 3htr h LEU 76 CO -0.18 0.02 -0.45 0.61 0.09 0.00 0.00 178.44 178.53 3htr n GLY 77 N 1.19 -0.10 0.00 0.83 0.00 0.64 -5.01 105.19 102.74 3htr n GLY 77 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3htr n GLY 77 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3htr n GLY 78 N -1.20 -0.79 3.83 -0.02 0.00 -1.09 -4.60 105.19 101.32 3htr n GLY 78 Ca -0.11 -1.12 -0.33 0.00 0.00 0.00 0.00 46.02 44.47 3htr n GLY 78 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3htr s TYR 79 N -2.00 3.34 -0.05 1.61 2.02 0.89 0.69 117.35 123.85 3htr s TYR 79 Ca 0.00 1.57 0.02 0.00 -0.37 0.00 0.00 57.07 58.29 3htr s TYR 79 Cb 0.00 -2.84 0.01 0.00 -0.40 0.00 0.00 41.96 38.74 3htr s TYR 79 CO 0.00 -0.20 -0.10 -1.14 -1.57 0.00 0.00 175.55 172.54 3htr s GLN 80 N -3.43 1.37 0.00 -0.62 0.74 0.21 0.35 119.66 118.28 3htr s GLN 80 Ca 0.61 -0.33 0.00 0.00 0.05 0.00 0.00 55.36 55.69 3htr s GLN 80 Cb -0.09 -1.19 0.00 0.00 1.10 0.00 0.00 33.01 32.83 3htr s GLN 80 CO 0.18 0.02 0.00 1.33 -0.55 0.00 0.00 175.29 176.28 3htr n VAL 81 N 3.76 0.00 0.00 1.34 0.24 -0.45 -2.87 118.33 120.34 3htr n VAL 81 Ca -0.23 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.07 3htr n VAL 81 Cb 0.52 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.89 3htr n VAL 81 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 3htr n VAL 83 N 0.00 0.00 -2.99 3.34 0.31 -1.26 -3.21 118.33 114.51 3htr n VAL 83 Ca 0.00 0.00 -0.18 0.00 -0.01 0.00 0.00 64.34 64.15 3htr n VAL 83 Cb 0.00 0.00 0.01 0.00 -0.91 0.00 0.00 33.84 32.94 3htr n VAL 83 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3htr s THR 84 N -0.56 3.08 0.18 2.52 -4.23 -1.26 -4.55 115.64 110.82 3htr s THR 84 Ca 0.00 -0.93 -0.12 0.00 -1.18 0.00 0.00 61.69 59.46 3htr s THR 84 Cb 0.00 -3.06 0.09 0.00 1.34 0.00 0.00 72.50 70.88 3htr s THR 84 CO 0.00 -0.03 1.80 0.58 -0.54 0.00 0.00 174.62 176.44 3htr h VAL 85 N 0.56 1.19 -0.66 2.29 2.07 -2.04 -1.50 116.25 118.16 3htr h VAL 85 Ca -0.41 -0.47 -0.00 0.00 0.82 0.00 0.00 66.70 66.64 3htr h VAL 85 Cb 1.28 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 31.39 3htr h VAL 85 CO 0.47 0.21 0.41 0.44 0.02 0.00 0.00 177.57 179.12 3htr h ASP 86 N 0.84 0.78 -0.12 0.57 3.32 -1.99 -0.08 116.42 119.74 3htr h ASP 86 Ca 0.22 -0.04 -0.05 0.00 0.02 0.00 0.00 57.03 57.19 3htr h ASP 86 Cb 0.02 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.37 3htr h ASP 86 CO -0.04 0.59 -0.10 1.56 -1.72 0.00 0.00 179.24 179.53 3htr h GLN 87 N 0.90 0.29 -0.89 3.56 4.20 -1.76 -2.61 115.11 118.79 3htr h GLN 87 Ca 0.24 -0.14 0.10 0.00 0.06 0.00 0.00 58.65 58.90 3htr h GLN 87 Cb -0.05 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.66 3htr h GLN 87 CO -0.05 0.67 0.58 -0.07 -0.67 0.00 0.00 178.83 179.29 3htr h LEU 88 N -0.09 0.81 -1.61 1.46 3.38 -0.99 -1.77 115.31 116.50 3htr h LEU 88 Ca 0.02 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 3htr h LEU 88 Cb 0.61 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 3htr h LEU 88 CO 0.03 0.48 -0.13 -0.33 0.09 0.00 0.00 178.44 178.57 3htr h GLU 89 N 0.89 0.08 -0.88 1.13 5.08 -0.71 -2.09 114.58 118.08 3htr h GLU 89 Ca 0.41 -0.01 -0.46 0.00 -1.00 0.00 0.00 59.36 58.30 3htr h GLU 89 Cb 0.40 -0.01 -0.27 0.00 0.50 0.00 0.00 28.75 29.37 3htr h GLU 89 CO -0.18 0.22 0.52 0.54 -1.00 0.00 0.00 179.01 179.11 3htr n ARG 90 N -4.34 2.18 -1.74 2.33 1.74 -0.68 -5.01 116.66 111.15 3htr n ARG 90 Ca -0.02 -3.05 -0.39 0.00 -0.77 0.00 0.00 57.85 53.62 3htr n ARG 90 Cb 0.23 -2.12 0.03 0.00 -1.02 0.00 0.00 32.46 29.58 3htr n ARG 90 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3htr n ALA 91 N -1.14 1.63 -1.77 7.54 0.00 -0.79 -4.93 120.51 121.05 3htr n ALA 91 Ca 0.55 0.18 -0.39 0.00 0.00 0.00 0.00 53.44 53.78 3htr n ALA 91 Cb 1.55 -2.35 -0.01 0.00 0.00 0.00 0.00 19.45 18.64 3htr n ALA 91 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3htr s PRO 92 N -2.66 4.03 0.25 0.00 0.02 -1.26 -4.91 135.00 130.46 3htr s PRO 92 Ca 0.67 2.05 0.15 0.00 0.02 0.00 0.00 61.00 63.89 3htr s PRO 92 Cb -0.44 -2.76 0.03 0.00 0.02 0.00 0.00 34.50 31.35 3htr s PRO 92 CO 0.53 -0.40 1.36 1.57 -0.33 0.00 0.00 177.00 179.73 3htr h LYS 93 N 2.73 0.00 -5.92 5.54 2.10 -1.94 -3.45 116.57 115.64 3htr h LYS 93 Ca -0.49 0.00 -0.60 0.00 -2.00 0.00 0.00 60.65 57.56 3htr h LYS 93 Cb 1.24 0.00 -0.12 0.00 -0.90 0.00 0.00 32.23 32.45 3htr h LYS 93 CO 0.63 0.50 -0.62 0.71 -2.00 0.00 0.00 179.45 178.67 3htr s TYR 94 N -2.94 2.51 0.88 0.07 1.51 -1.26 -5.10 117.35 113.01 3htr s TYR 94 Ca 0.03 -0.51 -0.12 0.00 -1.01 0.00 0.00 57.07 55.45 3htr s TYR 94 Cb 0.08 -1.57 0.08 0.00 -0.11 0.00 0.00 41.96 40.44 3htr s TYR 94 CO 0.76 0.47 0.90 0.41 -1.11 0.00 0.00 175.55 176.98 3htr n GLY 95 N -0.95 -0.83 0.36 0.71 0.00 -1.26 -4.88 105.19 98.34 3htr n GLY 95 Ca -0.04 -0.63 0.18 0.00 0.00 0.00 0.00 46.02 45.53 3htr n GLY 95 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3htr h PRO 96 N -1.38 0.00 -1.00 1.61 0.13 -2.00 -2.72 132.00 126.64 3htr h PRO 96 Ca -0.44 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.67 3htr h PRO 96 Cb 1.29 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.41 3htr h PRO 96 CO 0.41 0.00 0.02 0.41 -0.23 0.00 0.00 178.00 178.60 3htr n GLY 97 N -1.53 1.97 3.16 1.56 0.00 -1.26 -4.81 105.19 104.29 3htr n GLY 97 Ca 0.06 -0.03 -0.26 0.00 0.00 0.00 0.00 46.02 45.78 3htr n GLY 97 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3htr s SER 98 N 0.74 2.20 0.66 1.61 0.15 -1.03 -5.03 113.70 113.00 3htr s SER 98 Ca 0.02 -0.35 0.37 0.00 0.70 0.00 0.00 55.95 56.69 3htr s SER 98 Cb 0.01 -0.43 2.05 0.00 -1.71 0.00 0.00 66.02 65.94 3htr s SER 98 CO 0.00 0.20 2.18 -0.33 1.20 0.00 0.00 173.24 176.49 3htr h GLU 99 N 5.95 0.00 -0.01 5.44 3.07 -1.90 -3.49 114.58 123.64 3htr h GLU 99 Ca -0.35 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.51 3htr h GLU 99 Cb 1.16 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.07 3htr h GLU 99 CO 0.48 0.00 0.00 1.87 -1.40 0.00 0.00 179.01 179.96