#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i55 s VAL 67 N 0.00 2.57 1.17 1.61 1.01 -1.26 -5.01 120.40 120.50 3i55 s VAL 67 Ca 0.00 0.45 -0.13 0.00 0.00 0.00 0.00 61.98 62.30 3i55 s VAL 67 Cb 0.00 -3.29 0.29 0.00 0.00 0.00 0.00 36.38 33.38 3i55 s VAL 67 CO 0.00 0.06 1.03 -2.16 0.00 0.00 0.00 175.10 174.02 3i55 s PRO 68 N 0.21 -0.97 1.09 2.72 0.04 -1.26 -5.01 135.00 131.81 3i55 s PRO 68 Ca 0.64 0.83 -0.13 0.00 0.04 0.00 0.00 61.00 62.38 3i55 s PRO 68 Cb -0.43 -1.55 0.24 0.00 0.04 0.00 0.00 34.50 32.80 3i55 s PRO 68 CO 0.39 -3.76 1.06 -1.25 0.04 0.00 0.00 177.00 173.48 3i55 s PRO 69 N -4.46 -0.29 -0.10 0.56 0.04 -1.26 -4.90 135.00 124.59 3i55 s PRO 69 Ca 0.68 0.70 -0.26 0.00 0.04 0.00 0.00 61.00 62.17 3i55 s PRO 69 Cb -0.25 -1.64 -0.22 0.00 0.04 0.00 0.00 34.50 32.43 3i55 s PRO 69 CO 0.65 -3.26 0.84 1.15 0.04 0.00 0.00 177.00 176.41 3i55 h THR 70 N -2.29 1.52 -1.17 1.26 2.02 -1.99 -2.73 112.91 109.53 3i55 h THR 70 Ca -0.58 -1.90 0.34 0.00 0.77 0.00 0.00 66.41 65.03 3i55 h THR 70 Cb 1.33 2.76 -0.05 0.00 -1.74 0.00 0.00 68.15 70.45 3i55 h THR 70 CO 0.53 0.47 0.96 0.00 0.37 0.00 0.00 175.52 177.86 3i55 h ALA 71 N 0.02 3.06 0.00 6.16 0.00 -1.98 -0.33 119.26 126.19 3i55 h ALA 71 Ca -0.00 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 3i55 h ALA 71 Cb 0.79 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 3i55 h ALA 71 CO 0.00 -1.56 -0.39 0.93 0.00 0.00 0.00 179.25 178.23 3i55 h GLU 72 N 0.00 0.00 -0.41 0.00 5.08 -1.95 -3.28 114.58 114.03 3i55 h GLU 72 Ca 0.56 0.00 0.12 0.00 -1.00 0.00 0.00 59.36 59.03 3i55 h GLU 72 Cb 2.47 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.70 3i55 h GLU 72 CO -0.01 0.46 0.72 -0.07 -1.00 0.00 0.00 179.01 179.12 3i55 h LEU 73 N -1.00 0.00 0.05 1.33 3.38 -0.77 -1.65 115.31 116.66 3i55 h LEU 73 Ca -0.08 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 3i55 h LEU 73 Cb 0.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 3i55 h LEU 73 CO -0.05 0.00 -0.03 0.40 0.09 0.00 0.00 178.44 178.86 3i55 h ILE 74 N 0.00 0.00 -0.62 1.22 2.04 -1.43 -3.33 117.51 115.40 3i55 h ILE 74 Ca 0.19 -0.20 0.18 0.00 1.00 0.00 0.00 64.86 66.03 3i55 h ILE 74 Cb 1.64 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.69 3i55 h ILE 74 CO -0.00 0.00 1.07 0.11 0.00 0.00 0.00 178.15 179.32 3i55 h LYS 75 N -0.28 0.00 0.00 2.37 1.57 -1.36 -1.71 116.57 117.17 3i55 h LYS 75 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3i55 h LYS 75 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.36 3i55 h LYS 75 CO 0.01 0.00 0.00 -0.25 -0.57 0.00 0.00 179.45 178.64 3i55 n ASP 76 N -3.01 0.00 -1.59 0.86 8.00 -1.10 -3.12 116.55 116.59 3i55 n ASP 76 Ca 0.14 0.81 -0.08 0.00 0.71 0.00 0.00 54.79 56.37 3i55 n ASP 76 Cb 1.26 -0.46 0.03 0.00 -0.02 0.00 0.00 41.12 41.93 3i55 n ASP 76 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3i55 n GLU 77 N -1.87 1.41 0.00 -1.24 1.02 -0.68 -3.36 120.64 115.91 3i55 n GLU 77 Ca 0.00 -0.85 0.00 0.00 -0.02 0.00 0.00 57.16 56.29 3i55 n GLU 77 Cb 0.00 -1.33 0.00 0.00 -0.02 0.00 0.00 31.44 30.09 3i55 n GLU 77 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3i55 n ALA 78 N 0.59 1.97 0.00 0.62 0.00 -0.99 -4.92 120.51 117.78 3i55 n ALA 78 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.60 3i55 n ALA 78 Cb 0.63 0.31 0.00 0.00 0.00 0.00 0.00 19.45 20.39 3i55 n ALA 78 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i55 n GLY 79 N 3.04 2.47 3.62 0.00 0.00 -1.18 -4.68 105.19 108.46 3i55 n GLY 79 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 3i55 n GLY 79 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i55 s PHE 80 N -2.34 2.54 -0.01 1.61 0.40 -1.26 -5.08 117.98 113.84 3i55 s PHE 80 Ca 0.00 -0.44 -0.00 0.00 -0.60 0.00 0.00 56.93 55.89 3i55 s PHE 80 Cb 0.00 -1.47 -0.01 0.00 0.51 0.00 0.00 43.02 42.05 3i55 s PHE 80 CO 0.00 0.49 -0.01 0.39 0.70 0.00 0.00 175.22 176.79 3i55 n GLU 81 N -0.94 0.03 -2.90 0.44 4.71 -1.26 -4.53 120.64 116.19 3i55 n GLU 81 Ca -0.04 0.01 -0.40 0.00 -0.01 0.00 0.00 57.16 56.71 3i55 n GLU 81 Cb 0.62 -0.79 -0.05 0.00 -1.01 0.00 0.00 31.44 30.21 3i55 n GLU 81 CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 3i55 s THR 82 N -2.02 4.61 0.00 2.62 2.01 -1.26 -4.97 115.64 116.63 3i55 s THR 82 Ca -0.02 1.78 0.00 0.00 0.31 0.00 0.00 61.69 63.77 3i55 s THR 82 Cb 0.01 -4.19 0.00 0.00 0.01 0.00 0.00 72.50 68.33 3i55 s THR 82 CO 0.03 0.37 0.00 0.61 -0.69 0.00 0.00 174.62 174.93 3i55 n GLY 83 N 2.26 -1.62 3.43 4.40 0.00 -1.26 -5.05 105.19 107.35 3i55 n GLY 83 Ca -0.01 -1.15 -0.22 0.00 0.00 0.00 0.00 46.02 44.64 3i55 n GLY 83 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i55 s SER 84 N -1.61 3.17 0.00 1.61 1.04 -1.26 -5.02 113.70 111.64 3i55 s SER 84 Ca 0.00 -1.05 0.23 0.00 0.48 0.00 0.00 55.95 55.61 3i55 s SER 84 Cb 0.00 -0.24 1.01 0.00 0.10 0.00 0.00 66.02 66.90 3i55 s SER 84 CO 0.00 -0.09 1.74 0.61 0.98 0.00 0.00 173.24 176.49 3i55 n GLY 85 N -0.55 -1.26 3.40 7.32 0.00 -1.26 -4.61 105.19 108.23 3i55 n GLY 85 Ca -0.06 -0.08 0.02 0.00 0.00 0.00 0.00 46.02 45.89 3i55 n GLY 85 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i55 s GLU 86 N -2.94 0.52 0.47 1.61 2.02 -1.26 -5.09 118.70 114.03 3i55 s GLU 86 Ca 0.13 1.14 -0.24 0.00 0.02 0.00 0.00 54.97 56.01 3i55 s GLU 86 Cb 0.15 0.66 -0.07 0.00 0.10 0.00 0.00 34.13 34.97 3i55 s GLU 86 CO 0.41 -0.35 1.40 -1.25 0.02 0.00 0.00 175.26 175.49 3i55 s PRO 87 N 2.84 3.57 0.00 0.39 0.04 -1.26 -1.44 135.00 139.13 3i55 s PRO 87 Ca 0.05 2.34 0.00 0.00 0.04 0.00 0.00 61.00 63.43 3i55 s PRO 87 Cb -0.12 -2.56 0.00 0.00 0.04 0.00 0.00 34.50 31.86 3i55 s PRO 87 CO -0.19 -0.89 0.00 0.94 0.04 0.00 0.00 177.00 176.90 3i55 n GLN 88 N -0.39 0.00 0.08 4.56 7.27 -1.18 -4.37 117.38 123.35 3i55 n GLN 88 Ca 0.06 0.00 -0.07 0.00 0.07 0.00 0.00 57.00 57.06 3i55 n GLN 88 Cb 0.43 -1.38 -0.08 0.00 2.41 0.00 0.00 30.24 31.62 3i55 n GLN 88 CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 177.06 178.06 3i55 h GLU 89 N 0.00 0.04 -2.25 3.69 5.08 -1.88 -3.34 114.58 115.92 3i55 h GLU 89 Ca 0.00 -0.06 -0.61 0.00 -1.00 0.00 0.00 59.36 57.69 3i55 h GLU 89 Cb 0.00 0.02 -0.41 0.00 0.50 0.00 0.00 28.75 28.86 3i55 h GLU 89 CO 0.00 0.97 -0.51 -0.25 -1.00 0.00 0.00 179.01 178.22 3i55 n ASP 90 N -3.45 4.18 -4.67 1.42 8.00 -0.52 -5.06 116.55 116.45 3i55 n ASP 90 Ca -0.01 -3.52 -0.53 0.00 0.71 0.00 0.00 54.79 51.44 3i55 n ASP 90 Cb 0.90 -0.67 -0.06 0.00 -0.02 0.00 0.00 41.12 41.27 3i55 n ASP 90 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3i55 n PHE 91 N 0.52 2.00 0.00 1.24 0.99 -1.26 -4.51 117.46 116.44 3i55 n PHE 91 Ca 0.30 0.42 0.00 0.00 -0.00 0.00 0.00 57.45 58.17 3i55 n PHE 91 Cb 0.40 -2.48 0.00 0.00 -1.00 0.00 0.00 39.48 36.40 3i55 n PHE 91 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.76 177.04 3i55 n VAL 92 N 4.02 0.00 -1.02 -4.37 0.31 0.37 -4.94 118.33 112.70 3i55 n VAL 92 Ca 0.22 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.55 3i55 n VAL 92 Cb 0.20 -0.73 0.00 0.00 -0.91 0.00 0.00 33.84 32.40 3i55 n VAL 92 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3i55 n ALA 93 N -1.82 0.00 -3.74 3.52 0.00 -0.19 -4.96 120.51 113.32 3i55 n ALA 93 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 3i55 n ALA 93 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 3i55 n ALA 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3i55 s ASP 94 N -1.00 -0.33 0.07 0.00 1.01 -1.26 -3.41 116.67 111.75 3i55 s ASP 94 Ca 0.00 -0.43 -0.14 0.00 0.71 0.00 0.00 52.55 52.69 3i55 s ASP 94 Cb 0.00 0.67 0.02 0.00 1.01 0.00 0.00 42.92 44.62 3i55 s ASP 94 CO 0.00 -1.20 0.31 -0.76 0.21 0.00 0.00 175.17 173.73 3i55 s LEU 95 N -2.87 0.86 0.36 1.23 1.43 -0.59 -4.80 118.68 114.30 3i55 s LEU 95 Ca 0.09 -0.29 0.08 0.00 -1.03 0.00 0.00 54.13 52.97 3i55 s LEU 95 Cb -0.04 1.42 -0.04 0.00 0.03 0.00 0.00 46.19 47.55 3i55 s LEU 95 CO 0.02 -0.69 0.18 -0.94 0.23 0.00 0.00 176.35 175.15 3i55 s SER 96 N -2.36 4.70 0.07 2.29 1.04 -1.26 -1.48 113.70 116.70 3i55 s SER 96 Ca -0.02 -0.82 -0.34 0.00 0.48 0.00 0.00 55.95 55.26 3i55 s SER 96 Cb 0.01 -0.67 -0.17 0.00 0.10 0.00 0.00 66.02 65.29 3i55 s SER 96 CO -0.06 -0.39 1.53 0.58 0.98 0.00 0.00 173.24 175.87 3i55 h VAL 97 N 1.45 0.00 -0.08 5.02 2.07 -1.99 -1.59 116.25 121.13 3i55 h VAL 97 Ca -0.43 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.11 3i55 h VAL 97 Cb 1.25 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.02 3i55 h VAL 97 CO 0.64 0.00 0.29 0.44 0.02 0.00 0.00 177.57 178.95 3i55 h ASP 98 N -1.02 0.00 0.67 0.57 3.32 -1.98 0.50 116.42 118.47 3i55 h ASP 98 Ca -0.07 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.90 3i55 h ASP 98 Cb 0.86 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.40 3i55 h ASP 98 CO -0.01 0.00 -0.35 1.56 -1.72 0.00 0.00 179.24 178.72 3i55 h GLN 99 N 0.00 0.00 0.00 3.56 4.20 -1.69 -3.11 115.11 118.08 3i55 h GLN 99 Ca 0.04 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.62 3i55 h GLN 99 Cb 0.62 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.37 3i55 h GLN 99 CO -0.00 0.35 -1.89 0.28 -0.67 0.00 0.00 178.83 176.90 3i55 n VAL 100 N -3.68 0.68 0.25 -0.54 0.31 0.17 -4.00 118.33 111.52 3i55 n VAL 100 Ca -0.01 -0.64 0.13 0.00 -0.01 0.00 0.00 64.34 63.81 3i55 n VAL 100 Cb 0.46 -0.31 0.65 0.00 -0.91 0.00 0.00 33.84 33.73 3i55 n VAL 100 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 3i55 h LYS 101 N 0.00 0.00 0.04 5.55 1.57 -1.20 -2.53 116.57 120.01 3i55 h LYS 101 Ca -0.18 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.28 3i55 h LYS 101 Cb 1.46 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.73 3i55 h LYS 101 CO 0.02 0.00 -1.77 1.04 -0.57 0.00 0.00 179.45 178.17 3i55 n GLN 102 N -2.40 0.64 0.00 3.15 6.02 -1.24 -3.39 117.38 120.16 3i55 n GLN 102 Ca -0.01 0.40 0.00 0.00 -0.01 0.00 0.00 57.00 57.38 3i55 n GLN 102 Cb 0.10 -1.69 0.00 0.00 1.02 0.00 0.00 30.24 29.67 3i55 n GLN 102 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 3i55 n ILE 103 N -4.00 1.30 -0.07 5.09 5.41 -0.98 -0.12 119.36 126.00 3i55 n ILE 103 Ca -0.36 0.33 -0.04 0.00 1.00 0.00 0.00 62.75 63.68 3i55 n ILE 103 Cb 0.86 -1.33 -0.15 0.00 -0.71 0.00 0.00 39.64 38.30 3i55 n ILE 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3i55 n ALA 104 N -1.32 1.84 0.21 -1.39 0.00 -1.03 -4.28 120.51 114.53 3i55 n ALA 104 Ca 0.00 -1.06 0.06 0.00 0.00 0.00 0.00 53.44 52.44 3i55 n ALA 104 Cb 0.01 -0.29 0.48 0.00 0.00 0.00 0.00 19.45 19.66 3i55 n ALA 104 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3i55 h GLU 105 N 0.00 0.00 0.00 0.00 5.08 -0.53 -3.39 114.58 115.74 3i55 h GLU 105 Ca -0.39 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 3i55 h GLU 105 Cb 1.86 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.11 3i55 h GLU 105 CO 0.02 0.27 0.00 1.04 -1.00 0.00 0.00 179.01 179.34 3i55 n GLN 106 N -3.93 0.00 -1.11 2.33 6.02 -1.14 -4.64 117.38 114.92 3i55 n GLN 106 Ca -0.02 0.00 -0.03 0.00 -0.01 0.00 0.00 57.00 56.94 3i55 n GLN 106 Cb 0.34 -0.08 -0.03 0.00 1.02 0.00 0.00 30.24 31.50 3i55 n GLN 106 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3i55 n LYS 107 N 0.00 0.02 -0.11 -1.09 5.02 -1.26 -4.62 118.16 116.11 3i55 n LYS 107 Ca 0.00 -0.26 -0.23 0.00 -2.02 0.00 0.00 58.31 55.80 3i55 n LYS 107 Cb 0.00 -1.46 -0.11 0.00 -0.02 0.00 0.00 35.03 33.44 3i55 n LYS 107 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3i55 n HIS 108 N 6.97 0.84 0.12 2.13 8.25 -1.26 -3.66 115.22 128.61 3i55 n HIS 108 Ca 0.08 0.36 -0.01 0.00 -0.26 0.00 0.00 57.72 57.90 3i55 n HIS 108 Cb 0.48 -1.08 0.08 0.00 1.12 0.00 0.00 29.99 30.60 3i55 n HIS 108 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3i55 h PRO 109 N -1.00 0.00 -0.90 -0.41 0.13 -1.99 -3.21 132.00 124.61 3i55 h PRO 109 Ca -0.41 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.70 3i55 h PRO 109 Cb 1.36 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.44 3i55 h PRO 109 CO -0.25 0.67 0.50 -0.44 -0.23 0.00 0.00 178.00 178.25 3i55 h ASP 110 N 0.00 1.12 -2.77 1.44 3.32 -1.92 -3.43 116.42 114.18 3i55 h ASP 110 Ca -0.01 -0.10 -0.65 0.00 0.02 0.00 0.00 57.03 56.30 3i55 h ASP 110 Cb 1.33 -0.29 -0.06 0.00 0.22 0.00 0.00 39.33 40.54 3i55 h ASP 110 CO 0.09 0.90 -0.48 -0.76 -1.72 0.00 0.00 179.24 177.27 3i55 s LEU 111 N -9.93 4.38 0.11 1.55 1.43 -1.21 -5.01 118.68 109.99 3i55 s LEU 111 Ca -0.13 0.41 0.07 0.00 -1.03 0.00 0.00 54.13 53.45 3i55 s LEU 111 Cb 0.17 -2.48 -0.21 0.00 0.03 0.00 0.00 46.19 43.70 3i55 s LEU 111 CO 0.83 0.30 1.23 -0.07 0.23 0.00 0.00 176.35 178.87 3i55 h LEU 112 N 4.15 0.02 -9.37 1.79 3.38 -1.83 -3.46 115.31 109.98 3i55 h LEU 112 Ca -0.51 -0.02 -0.60 0.00 0.09 0.00 0.00 57.88 56.84 3i55 h LEU 112 Cb 1.20 -0.00 0.14 0.00 0.09 0.00 0.00 40.66 42.09 3i55 h LEU 112 CO 0.66 1.01 -0.30 -1.54 0.09 0.00 0.00 178.44 178.36 3i55 n SER 113 N -3.34 -0.50 -0.04 -0.43 3.41 -1.26 -4.97 113.62 106.50 3i55 n SER 113 Ca -0.01 0.94 -0.02 0.00 -0.26 0.00 0.00 58.87 59.52 3i55 n SER 113 Cb 0.95 -1.15 -0.01 0.00 -0.26 0.00 0.00 64.21 63.74 3i55 n SER 113 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 3i55 h TYR 114 N 0.94 0.00 -3.89 7.33 -1.99 -1.97 -3.47 116.97 113.91 3i55 h TYR 114 Ca -0.40 0.00 -0.48 0.00 2.00 0.00 0.00 58.73 59.85 3i55 h TYR 114 Cb 1.39 0.00 0.17 0.00 2.00 0.00 0.00 36.73 40.29 3i55 h TYR 114 CO 0.38 0.00 0.18 -0.51 -0.00 0.00 0.00 178.16 178.21 3i55 s ASP 115 N -4.65 2.69 0.27 3.88 1.01 -1.26 -4.92 116.67 113.69 3i55 s ASP 115 Ca -0.07 1.62 0.16 0.00 0.71 0.00 0.00 52.55 54.97 3i55 s ASP 115 Cb 0.01 -2.27 0.07 0.00 1.01 0.00 0.00 42.92 41.74 3i55 s ASP 115 CO 0.10 -3.15 1.40 -0.07 0.21 0.00 0.00 175.17 173.66 3i55 h LEU 116 N -1.90 0.00 -0.10 1.23 3.38 -1.98 -3.25 115.31 112.68 3i55 h LEU 116 Ca -0.52 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.49 3i55 h LEU 116 Cb 1.30 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.01 3i55 h LEU 116 CO 0.51 0.46 -0.12 0.74 0.09 0.00 0.00 178.44 180.12 3i55 h THR 117 N 0.00 0.67 -0.02 0.22 2.02 -2.00 -1.46 112.91 112.34 3i55 h THR 117 Ca -0.02 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.10 3i55 h THR 117 Cb 1.36 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 68.43 3i55 h THR 117 CO 0.06 0.00 -0.30 0.78 0.37 0.00 0.00 175.52 176.42 3i55 h ASN 118 N -0.15 0.03 -0.65 4.18 2.35 -1.95 -2.93 115.58 116.46 3i55 h ASN 118 Ca 0.08 -0.01 0.12 0.00 -0.55 0.00 0.00 56.30 55.94 3i55 h ASN 118 Cb 0.27 -0.01 -0.09 0.00 0.05 0.00 0.00 38.32 38.54 3i55 h ASN 118 CO -0.20 0.34 0.17 0.00 -1.65 0.00 0.00 177.43 176.09 3i55 h ALA 119 N 1.67 0.81 -0.16 -0.83 0.00 -1.30 -1.30 119.26 118.15 3i55 h ALA 119 Ca 0.00 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3i55 h ALA 119 Cb 0.55 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 3i55 h ALA 119 CO 0.04 -0.29 0.06 0.00 0.00 0.00 0.00 179.25 179.06 3i55 h ALA 120 N 1.51 0.21 -0.95 0.00 0.00 -1.38 -2.87 119.26 115.78 3i55 h ALA 120 Ca 0.35 -0.11 0.13 0.00 0.00 0.00 0.00 54.91 55.28 3i55 h ALA 120 Cb 0.53 -0.06 -0.14 0.00 0.00 0.00 0.00 17.79 18.11 3i55 h ALA 120 CO -0.42 -0.19 -0.44 0.87 0.00 0.00 0.00 179.25 179.07 3i55 h LYS 121 N 0.09 -0.03 0.38 0.00 1.57 -1.25 1.54 116.57 118.88 3i55 h LYS 121 Ca 0.05 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 3i55 h LYS 121 Cb 0.19 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 3i55 h LYS 121 CO -0.00 -0.02 -0.25 0.93 -0.57 0.00 0.00 179.45 179.54 3i55 h GLU 122 N -0.03 -0.59 -0.21 3.15 5.08 -1.45 -1.58 114.58 118.96 3i55 h GLU 122 Ca 0.28 0.04 0.06 0.00 -1.00 0.00 0.00 59.36 58.74 3i55 h GLU 122 Cb 0.55 0.13 -0.06 0.00 0.50 0.00 0.00 28.75 29.87 3i55 h GLU 122 CO -0.94 -0.39 -0.21 0.28 -1.00 0.00 0.00 179.01 176.75 3i55 h VAL 123 N -0.61 0.46 0.00 3.13 2.07 -0.78 0.84 116.25 121.35 3i55 h VAL 123 Ca -0.04 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.48 3i55 h VAL 123 Cb 0.51 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 3i55 h VAL 123 CO 0.03 0.00 0.00 0.52 0.02 0.00 0.00 177.57 178.14 3i55 n VAL 124 N -5.35 0.00 0.18 2.57 0.31 0.51 -2.22 118.33 114.32 3i55 n VAL 124 Ca -0.01 0.00 0.06 0.00 -0.01 0.00 0.00 64.34 64.37 3i55 n VAL 124 Cb 0.27 -0.24 0.10 0.00 -0.91 0.00 0.00 33.84 33.06 3i55 n VAL 124 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3i55 n GLY 125 N 0.15 1.09 0.00 2.92 0.00 0.29 -4.48 105.19 105.16 3i55 n GLY 125 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.67 3i55 n GLY 125 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3i55 n THR 126 N 0.59 0.00 0.04 2.61 -1.04 -0.94 -4.81 114.28 110.73 3i55 n THR 126 Ca 0.09 -0.16 -0.02 0.00 -2.04 0.00 0.00 64.05 61.92 3i55 n THR 126 Cb 0.35 0.70 -0.01 0.00 -1.82 0.00 0.00 70.33 69.55 3i55 n THR 126 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3i55 n THR 128 N -3.47 1.58 -1.31 0.00 -1.04 -1.26 -0.16 114.28 108.61 3i55 n THR 128 Ca -0.02 0.52 -0.29 0.00 -2.04 0.00 0.00 64.05 62.22 3i55 n THR 128 Cb 0.06 -1.52 0.13 0.00 -1.82 0.00 0.00 70.33 67.17 3i55 n THR 128 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 3i55 n SER 129 N -1.46 5.75 0.00 8.00 3.41 -1.23 -3.08 113.62 125.00 3i55 n SER 129 Ca -0.00 -3.71 0.00 0.00 -0.26 0.00 0.00 58.87 54.90 3i55 n SER 129 Cb 0.10 -0.89 0.00 0.00 -0.26 0.00 0.00 64.21 63.15 3i55 n SER 129 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3i55 n LEU 130 N -1.02 0.00 0.00 1.04 4.77 0.77 -4.66 117.00 117.90 3i55 n LEU 130 Ca 0.60 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.58 3i55 n LEU 130 Cb 1.13 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.22 3i55 n LEU 130 CO 0.69 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.36 3i55 n GLY 131 N -0.39 0.96 2.68 -0.72 0.00 -0.91 -4.11 105.19 102.70 3i55 n GLY 131 Ca 0.00 -0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 3i55 n GLY 131 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3i55 n VAL 132 N 0.00 3.23 -0.69 1.61 0.31 -1.08 0.14 118.33 121.85 3i55 n VAL 132 Ca 0.00 -5.49 -0.33 0.00 -0.01 0.00 0.00 64.34 58.51 3i55 n VAL 132 Cb 0.00 -1.82 0.16 0.00 -0.91 0.00 0.00 33.84 31.28 3i55 n VAL 132 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 3i55 n THR 133 N 0.45 0.00 -4.11 2.52 -1.04 -1.22 -4.36 114.28 106.53 3i55 n THR 133 Ca 0.31 -0.28 -0.11 0.00 -2.04 0.00 0.00 64.05 61.94 3i55 n THR 133 Cb 0.38 -0.56 -0.11 0.00 -1.82 0.00 0.00 70.33 68.23 3i55 n THR 133 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 3i55 s ILE 134 N -2.22 0.52 0.00 12.58 1.01 -1.26 -1.53 121.20 130.29 3i55 s ILE 134 Ca 0.55 -1.56 0.00 0.00 0.00 0.00 0.00 60.65 59.64 3i55 s ILE 134 Cb -0.10 -1.20 0.00 0.00 0.01 0.00 0.00 42.46 41.17 3i55 s ILE 134 CO 0.66 -0.71 0.21 -1.84 0.00 0.00 0.00 174.94 173.26