#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f3x s LEU 45 N 0.00 1.67 0.54 4.31 1.98 -1.26 -5.15 118.68 120.78 2f3x s LEU 45 Ca 0.00 -0.06 -0.16 0.00 -2.89 0.00 0.00 54.13 51.02 2f3x s LEU 45 Cb 0.00 -0.23 -0.07 0.00 0.66 0.00 0.00 46.19 46.55 2f3x s LEU 45 CO 0.00 -0.01 1.00 -0.94 -1.89 0.00 0.00 176.35 174.51 2f3x s SER 46 N 0.36 6.44 0.48 3.68 1.04 -1.26 -4.83 113.70 119.61 2f3x s SER 46 Ca -0.04 1.60 0.25 0.00 0.48 0.00 0.00 55.95 58.24 2f3x s SER 46 Cb -0.07 -2.51 1.22 0.00 0.10 0.00 0.00 66.02 64.77 2f3x s SER 46 CO -0.01 -0.72 1.97 0.40 0.98 0.00 0.00 173.24 175.87 2f3x h ILE 47 N 0.71 0.62 0.31 -1.02 2.04 -2.01 -0.42 117.51 117.74 2f3x h ILE 47 Ca -0.46 -0.79 -0.02 0.00 1.00 0.00 0.00 64.86 64.59 2f3x h ILE 47 Cb 1.19 1.51 0.00 0.00 -0.74 0.00 0.00 36.82 38.78 2f3x h ILE 47 CO 0.61 0.17 -0.15 1.55 0.00 0.00 0.00 178.15 180.33 2f3x h PRO 48 N 0.00 -0.41 0.00 2.37 0.13 -1.99 -2.90 132.00 129.20 2f3x h PRO 48 Ca -0.00 0.03 -0.18 0.00 -0.87 0.00 0.00 66.00 64.98 2f3x h PRO 48 Cb 0.49 0.09 -0.02 0.00 0.13 0.00 0.00 31.00 31.70 2f3x h PRO 48 CO 0.02 -0.14 -0.82 0.93 -0.23 0.00 0.00 178.00 177.75 2f3x h GLU 49 N -0.63 0.06 -0.15 0.86 5.08 -1.87 -0.11 114.58 117.81 2f3x h GLU 49 Ca -0.04 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 2f3x h GLU 49 Cb 0.45 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 2f3x h GLU 49 CO 0.07 0.85 0.09 -0.07 -1.00 0.00 0.00 179.01 178.95 2f3x h LEU 50 N 0.04 0.15 -1.01 1.33 3.38 -1.25 -2.70 115.31 115.25 2f3x h LEU 50 Ca -0.02 -0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 2f3x h LEU 50 Cb 1.44 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 42.15 2f3x h LEU 50 CO 0.11 0.11 -0.44 -0.09 0.09 0.00 0.00 178.44 178.23 2f3x h ARG 51 N 0.19 0.11 0.00 1.13 2.43 -1.14 -1.74 114.38 115.35 2f3x h ARG 51 Ca 0.06 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.11 2f3x h ARG 51 Cb -0.01 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 2f3x h ARG 51 CO -0.02 0.53 -0.30 1.49 -1.51 0.00 0.00 179.97 180.16 2f3x h GLU 52 N 0.09 0.00 -0.03 0.20 4.81 -1.07 -1.70 114.58 116.88 2f3x h GLU 52 Ca 0.01 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.10 2f3x h GLU 52 Cb 0.82 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.18 2f3x h GLU 52 CO 0.06 0.30 -0.60 0.00 -0.73 0.00 0.00 179.01 178.04 2f3x h ARG 53 N 0.00 0.12 0.48 1.92 3.08 -0.98 -2.73 114.38 116.27 2f3x h ARG 53 Ca -0.00 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 59.94 2f3x h ARG 53 Cb 0.75 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.81 2f3x h ARG 53 CO 0.04 0.69 -0.23 0.82 -1.07 0.00 0.00 179.97 180.21 2f3x h ILE 54 N 0.09 0.48 -0.94 2.04 2.04 -1.09 -0.19 117.51 119.95 2f3x h ILE 54 Ca -0.01 -0.30 0.38 0.00 1.00 0.00 0.00 64.86 65.93 2f3x h ILE 54 Cb 1.09 0.61 -0.17 0.00 -0.74 0.00 0.00 36.82 37.61 2f3x h ILE 54 CO 0.09 0.05 0.47 0.29 0.00 0.00 0.00 178.15 179.04 2f3x n LYS 55 N -5.29 -0.06 -0.03 2.37 5.02 -0.69 -0.20 118.16 119.27 2f3x n LYS 55 Ca -0.11 1.30 -0.16 0.00 -2.02 0.00 0.00 58.31 57.32 2f3x n LYS 55 Cb 0.30 -2.31 -0.12 0.00 -0.02 0.00 0.00 35.03 32.88 2f3x n LYS 55 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 2f3x h ASN 56 N 0.00 0.19 -0.96 4.39 2.35 -1.14 -2.21 115.58 118.21 2f3x h ASN 56 Ca 0.78 -0.86 0.09 0.00 -0.55 0.00 0.00 56.30 55.76 2f3x h ASN 56 Cb 2.03 -0.06 -0.07 0.00 0.05 0.00 0.00 38.32 40.27 2f3x h ASN 56 CO -0.73 1.03 0.60 0.58 -1.65 0.00 0.00 177.43 177.25 2f3x h VAL 57 N -0.62 1.00 -0.30 2.81 2.07 0.01 -2.01 116.25 119.21 2f3x h VAL 57 Ca -0.04 -0.35 -0.04 0.00 0.82 0.00 0.00 66.70 67.09 2f3x h VAL 57 Cb 1.08 -0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 2f3x h VAL 57 CO 0.05 0.19 0.01 0.00 0.02 0.00 0.00 177.57 177.84 2f3x h ALA 58 N 1.48 1.47 0.00 1.67 0.00 -0.59 -1.15 119.26 122.13 2f3x h ALA 58 Ca 0.44 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 55.05 2f3x h ALA 58 Cb 0.30 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2f3x h ALA 58 CO -0.21 0.38 -0.64 0.93 0.00 0.00 0.00 179.25 179.71 2f3x h GLU 59 N 0.43 0.00 0.19 0.00 5.08 -0.72 -1.44 114.58 118.12 2f3x h GLU 59 Ca 0.10 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.15 2f3x h GLU 59 Cb 0.27 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.55 2f3x h GLU 59 CO 0.01 0.64 -1.35 0.87 -1.00 0.00 0.00 179.01 178.17 2f3x h LYS 60 N 0.00 0.47 -0.01 2.33 1.57 -1.16 -3.34 116.57 116.44 2f3x h LYS 60 Ca -0.01 -0.75 0.00 0.00 -1.87 0.00 0.00 60.65 58.02 2f3x h LYS 60 Cb 1.14 0.27 0.00 0.00 0.08 0.00 0.00 32.23 33.73 2f3x h LYS 60 CO 0.08 1.35 -0.20 0.25 -0.57 0.00 0.00 179.45 180.37 2f3x n THR 61 N -3.67 0.00 -2.49 -0.16 -2.24 -0.46 -4.92 114.28 100.34 2f3x n THR 61 Ca -0.13 -0.09 -0.11 0.00 -2.27 0.00 0.00 64.05 61.45 2f3x n THR 61 Cb 1.05 0.16 -0.00 0.00 -2.10 0.00 0.00 70.33 69.44 2f3x n THR 61 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2f3x n LEU 62 N -0.83 -1.00 -3.58 3.22 4.77 -0.57 -4.79 117.00 114.23 2f3x n LEU 62 Ca 0.13 0.22 -0.28 0.00 -0.03 0.00 0.00 56.01 56.05 2f3x n LEU 62 Cb 0.32 -1.98 -0.16 0.00 -2.33 0.00 0.00 43.42 39.27 2f3x n LEU 62 CO 0.25 -0.10 -0.33 -1.61 -1.33 0.00 0.00 177.39 174.27 2f3x s GLU 63 N -5.06 0.15 1.04 3.23 2.02 -1.04 -1.15 118.70 117.88 2f3x s GLU 63 Ca 0.02 -0.34 -0.12 0.00 0.02 0.00 0.00 54.97 54.54 2f3x s GLU 63 Cb -0.01 -1.48 0.17 0.00 0.10 0.00 0.00 34.13 32.92 2f3x s GLU 63 CO 0.02 -0.86 0.84 -0.25 0.02 0.00 0.00 175.26 175.03 2f3x n ASP 64 N 5.25 -1.09 -4.72 -0.19 8.00 0.71 -4.47 116.55 120.04 2f3x n ASP 64 Ca -0.06 0.14 -0.42 0.00 0.71 0.00 0.00 54.79 55.16 2f3x n ASP 64 Cb 0.45 -1.30 -0.03 0.00 -0.02 0.00 0.00 41.12 40.22 2f3x n ASP 64 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2f3x s GLU 65 N -4.25 4.30 0.10 -1.24 2.12 -1.26 -4.96 118.70 113.51 2f3x s GLU 65 Ca 0.65 2.17 -0.23 0.00 0.36 0.00 0.00 54.97 57.91 2f3x s GLU 65 Cb -0.22 -3.20 -0.07 0.00 0.26 0.00 0.00 34.13 30.90 2f3x s GLU 65 CO 0.63 -0.45 0.71 0.08 -0.54 0.00 0.00 175.26 175.69 2f3x s VAL 66 N 0.85 4.59 -0.15 3.70 1.01 -1.26 -4.96 120.40 124.19 2f3x s VAL 66 Ca 0.64 1.54 0.12 0.00 0.00 0.00 0.00 61.98 64.28 2f3x s VAL 66 Cb -0.39 -4.06 -0.18 0.00 0.00 0.00 0.00 36.38 31.75 2f3x s VAL 66 CO 0.33 0.48 0.02 0.29 0.00 0.00 0.00 175.10 176.22 2f3x n LYS 67 N 2.05 1.41 0.04 2.72 5.02 -1.26 -4.77 118.16 123.37 2f3x n LYS 67 Ca -0.06 0.01 -0.15 0.00 -2.02 0.00 0.00 58.31 56.09 2f3x n LYS 67 Cb 0.50 -1.38 -0.14 0.00 -0.02 0.00 0.00 35.03 33.98 2f3x n LYS 67 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2f3x h SER 68 N 0.00 0.29 -5.39 4.39 4.64 -1.76 -3.39 113.55 112.34 2f3x h SER 68 Ca -0.41 -0.46 -0.16 0.00 -0.47 0.00 0.00 61.79 60.29 2f3x h SER 68 Cb 1.88 -0.10 -0.14 0.00 -0.31 0.00 0.00 62.40 63.73 2f3x h SER 68 CO 0.01 1.39 -0.58 -1.48 -0.87 0.00 0.00 176.83 175.31 2f3x s LEU 69 N -6.80 1.61 0.69 5.97 2.34 -1.26 -4.79 118.68 116.44 2f3x s LEU 69 Ca -0.09 -1.13 -0.11 0.00 0.06 0.00 0.00 54.13 52.86 2f3x s LEU 69 Cb 0.07 0.49 0.00 0.00 -0.56 0.00 0.00 46.19 46.20 2f3x s LEU 69 CO 0.83 -0.76 1.06 -0.94 -1.06 0.00 0.00 176.35 175.48 2f3x s SER 70 N -3.03 5.50 0.04 1.48 1.04 -1.26 -4.87 113.70 112.61 2f3x s SER 70 Ca 0.22 1.50 -0.17 0.00 0.48 0.00 0.00 55.95 57.97 2f3x s SER 70 Cb 0.07 -2.40 -0.20 0.00 0.10 0.00 0.00 66.02 63.59 2f3x s SER 70 CO 0.01 -1.35 1.19 -0.07 0.98 0.00 0.00 173.24 174.00 2f3x h LEU 71 N -0.65 0.67 -0.04 2.42 3.38 -1.97 -0.89 115.31 118.24 2f3x h LEU 71 Ca -0.44 -0.69 0.01 0.00 0.09 0.00 0.00 57.88 56.84 2f3x h LEU 71 Cb 1.21 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 2f3x h LEU 71 CO 0.59 1.27 -0.01 0.47 0.09 0.00 0.00 178.44 180.85 2f3x n ASP 72 N -4.14 -0.01 0.05 -0.43 9.92 -1.26 -1.89 116.55 118.79 2f3x n ASP 72 Ca -0.09 0.07 0.13 0.00 -0.53 0.00 0.00 54.79 54.37 2f3x n ASP 72 Cb 0.68 -0.02 0.51 0.00 -0.64 0.00 0.00 41.12 41.65 2f3x n ASP 72 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2f3x n GLU 73 N -4.05 0.12 -3.11 -1.24 1.02 -0.34 -4.72 120.64 108.32 2f3x n GLU 73 Ca 0.01 0.12 -0.38 0.00 -0.02 0.00 0.00 57.16 56.89 2f3x n GLU 73 Cb 0.02 -1.65 -0.06 0.00 -0.02 0.00 0.00 31.44 29.73 2f3x n GLU 73 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2f3x s VAL 74 N -3.06 4.55 -0.28 2.62 -7.23 -0.79 -4.99 120.40 111.22 2f3x s VAL 74 Ca 0.12 1.42 -0.25 0.00 -1.81 0.00 0.00 61.98 61.46 2f3x s VAL 74 Cb 0.15 -3.98 0.00 0.00 0.56 0.00 0.00 36.38 33.11 2f3x s VAL 74 CO 0.54 0.45 0.85 -0.63 -0.31 0.00 0.00 175.10 176.00 2f3x s ILE 75 N -1.23 4.76 0.00 -0.62 1.09 -1.26 -4.86 121.20 119.08 2f3x s ILE 75 Ca 0.35 1.43 0.00 0.00 -1.10 0.00 0.00 60.65 61.33 2f3x s ILE 75 Cb -0.20 -4.18 0.00 0.00 -1.06 0.00 0.00 42.46 37.02 2f3x s ILE 75 CO 0.22 -0.22 0.00 0.61 -0.10 0.00 0.00 174.94 175.46 2f3x n GLY 76 N 3.96 1.95 3.63 6.18 0.00 -1.26 -4.38 105.19 115.28 2f3x n GLY 76 Ca 0.06 -1.96 -0.38 0.00 0.00 0.00 0.00 46.02 43.74 2f3x n GLY 76 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2f3x s GLU 77 N -2.55 4.07 0.19 1.61 2.12 -0.38 -4.79 118.70 118.97 2f3x s GLU 77 Ca 0.00 0.02 -0.31 0.00 0.36 0.00 0.00 54.97 55.05 2f3x s GLU 77 Cb 0.00 -3.60 -0.09 0.00 0.26 0.00 0.00 34.13 30.69 2f3x s GLU 77 CO 0.00 -0.15 1.41 0.42 -0.54 0.00 0.00 175.26 176.40 2f3x s ILE 78 N 1.68 2.97 -0.13 -3.70 -1.09 -1.26 -0.59 121.20 119.07 2f3x s ILE 78 Ca 0.15 0.75 0.01 0.00 -2.23 0.00 0.00 60.65 59.33 2f3x s ILE 78 Cb -0.15 -3.48 -0.09 0.00 -1.58 0.00 0.00 42.46 37.16 2f3x s ILE 78 CO 0.09 0.09 -0.12 -0.38 -1.23 0.00 0.00 174.94 173.39 2f3x n ILE 79 N 3.08 0.77 -3.83 2.92 2.08 0.42 -4.94 119.36 119.86 2f3x n ILE 79 Ca 0.09 -0.29 -0.12 0.00 0.56 0.00 0.00 62.75 62.98 2f3x n ILE 79 Cb 0.41 -0.99 -0.12 0.00 -0.75 0.00 0.00 39.64 38.19 2f3x n ILE 79 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 2f3x s ASP 80 N -5.32 -0.12 -0.32 4.38 2.15 -1.12 -4.79 116.67 111.53 2f3x s ASP 80 Ca -0.18 0.20 0.05 0.00 0.43 0.00 0.00 52.55 53.04 2f3x s ASP 80 Cb 0.05 0.28 0.18 0.00 -0.30 0.00 0.00 42.92 43.13 2f3x s ASP 80 CO 0.31 -0.11 0.51 -0.22 -0.17 0.00 0.00 175.17 175.49 2f3x s LEU 81 N -0.20 -1.17 -0.36 -1.34 2.96 -0.30 -0.68 118.68 117.59 2f3x s LEU 81 Ca -0.03 -0.35 -0.03 0.00 -0.22 0.00 0.00 54.13 53.50 2f3x s LEU 81 Cb -0.02 1.55 0.08 0.00 0.50 0.00 0.00 46.19 48.30 2f3x s LEU 81 CO 0.00 -0.29 0.12 -1.61 -1.32 0.00 0.00 176.35 173.25 2f3x s GLU 82 N 2.43 2.29 1.05 1.98 2.02 0.94 -0.21 118.70 129.20 2f3x s GLU 82 Ca 0.12 -1.50 -0.15 0.00 0.02 0.00 0.00 54.97 53.45 2f3x s GLU 82 Cb -0.10 -3.44 0.10 0.00 0.10 0.00 0.00 34.13 30.79 2f3x s GLU 82 CO -0.22 -0.84 0.34 1.28 0.02 0.00 0.00 175.26 175.84 2f3x n LEU 83 N 4.66 -1.03 -0.72 1.80 4.32 -1.26 -1.29 117.00 123.48 2f3x n LEU 83 Ca -0.08 0.09 0.00 0.00 -0.02 0.00 0.00 56.01 56.00 2f3x n LEU 83 Cb 0.43 -1.12 0.00 0.00 -1.62 0.00 0.00 43.42 41.11 2f3x n LEU 83 CO 0.31 -3.27 0.00 0.47 -1.22 0.00 0.00 177.39 173.68 2f3x n ASP 84 N -2.04 -0.16 0.00 -1.43 8.00 0.80 -4.51 116.55 117.22 2f3x n ASP 84 Ca 0.04 0.08 0.00 0.00 0.71 0.00 0.00 54.79 55.62 2f3x n ASP 84 Cb 0.57 -0.22 0.00 0.00 -0.02 0.00 0.00 41.12 41.45 2f3x n ASP 84 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2f3x n ASP 85 N -0.10 0.00 -3.67 -2.24 2.03 -0.78 -4.77 116.55 107.01 2f3x n ASP 85 Ca 0.00 0.00 -0.11 0.00 0.52 0.00 0.00 54.79 55.20 2f3x n ASP 85 Cb 0.08 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.42 2f3x n ASP 85 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2f3x s GLN 86 N -0.39 1.00 0.07 -0.67 -2.07 -0.41 -0.23 119.66 116.95 2f3x s GLN 86 Ca 0.00 -0.66 -0.17 0.00 -1.82 0.00 0.00 55.36 52.71 2f3x s GLN 86 Cb 0.00 0.44 0.03 0.00 -1.09 0.00 0.00 33.01 32.39 2f3x s GLN 86 CO 0.00 -0.37 0.39 0.00 -1.32 0.00 0.00 175.29 173.99 2f3x s ALA 87 N -3.48 -0.93 -0.02 2.60 0.00 -0.51 -0.04 121.76 119.38 2f3x s ALA 87 Ca 0.01 0.16 0.03 0.00 0.00 0.00 0.00 51.96 52.16 2f3x s ALA 87 Cb 0.02 0.44 -0.01 0.00 0.00 0.00 0.00 23.12 23.57 2f3x s ALA 87 CO -0.10 -0.50 -0.12 0.42 0.00 0.00 0.00 175.76 175.46 2f3x s ILE 88 N -2.88 0.96 0.19 0.00 1.01 0.15 -1.29 121.20 119.33 2f3x s ILE 88 Ca -0.03 -0.50 0.05 0.00 0.00 0.00 0.00 60.65 60.17 2f3x s ILE 88 Cb 0.00 -0.82 -0.05 0.00 0.01 0.00 0.00 42.46 41.61 2f3x s ILE 88 CO -0.05 0.28 -0.08 -0.94 0.00 0.00 0.00 174.94 174.15 2f3x s SER 89 N -0.13 2.01 -0.06 3.58 1.04 0.40 -0.44 113.70 120.11 2f3x s SER 89 Ca 0.02 -1.09 -0.01 0.00 0.48 0.00 0.00 55.95 55.35 2f3x s SER 89 Cb -0.06 -0.04 0.03 0.00 0.10 0.00 0.00 66.02 66.05 2f3x s SER 89 CO 0.00 -0.36 0.02 -0.63 0.98 0.00 0.00 173.24 173.25 2f3x s ILE 90 N -3.27 0.25 -0.16 -1.02 1.01 0.24 -0.80 121.20 117.45 2f3x s ILE 90 Ca 0.22 0.20 -0.06 0.00 0.00 0.00 0.00 60.65 61.01 2f3x s ILE 90 Cb 0.03 -0.42 -0.04 0.00 0.01 0.00 0.00 42.46 42.04 2f3x s ILE 90 CO 0.05 0.24 0.02 -0.22 0.00 0.00 0.00 174.94 175.03 2f3x s LEU 91 N 1.98 3.60 -0.23 2.97 0.20 0.16 -1.25 118.68 126.10 2f3x s LEU 91 Ca 0.04 0.02 -0.17 0.00 0.69 0.00 0.00 54.13 54.71 2f3x s LEU 91 Cb -0.12 -1.89 -0.03 0.00 -0.43 0.00 0.00 46.19 43.72 2f3x s LEU 91 CO -0.04 0.20 0.48 -0.70 -0.29 0.00 0.00 176.35 175.99 2f3x s GLU 92 N 0.21 4.12 -0.61 1.98 2.12 -1.26 0.70 118.70 125.97 2f3x s GLU 92 Ca 0.02 0.30 -0.28 0.00 0.36 0.00 0.00 54.97 55.37 2f3x s GLU 92 Cb -0.13 -3.60 0.03 0.00 0.26 0.00 0.00 34.13 30.69 2f3x s GLU 92 CO 0.01 -0.22 1.19 0.42 -0.54 0.00 0.00 175.26 176.12 2f3x s ILE 93 N 1.88 3.99 0.64 -3.70 -1.09 0.06 -5.00 121.20 117.99 2f3x s ILE 93 Ca 0.21 0.73 0.03 0.00 -2.23 0.00 0.00 60.65 59.40 2f3x s ILE 93 Cb -0.15 -4.75 0.10 0.00 -1.58 0.00 0.00 42.46 36.08 2f3x s ILE 93 CO 0.09 -1.43 0.88 -0.54 -1.23 0.00 0.00 174.94 172.72 2f3x s LYS 94 N 5.01 2.02 0.44 2.79 1.02 -1.26 0.85 119.74 130.62 2f3x s LYS 94 Ca 0.40 -1.27 0.14 0.00 0.02 0.00 0.00 55.97 55.26 2f3x s LYS 94 Cb -0.08 -2.47 1.05 0.00 -0.52 0.00 0.00 37.83 35.81 2f3x s LYS 94 CO 0.23 -1.13 1.99 0.37 -0.92 0.00 0.00 175.35 175.89 2f3x h GLN 95 N -0.18 0.37 -0.01 1.68 4.15 -1.95 -1.19 115.11 117.98 2f3x h GLN 95 Ca -0.35 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.05 2f3x h GLN 95 Cb 1.28 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.88 2f3x h GLN 95 CO 0.42 0.24 0.00 -0.85 -1.93 0.00 0.00 178.83 176.71 2f3x n GLU 96 N -4.47 1.12 0.00 1.69 -0.00 -1.26 -2.91 120.64 114.80 2f3x n GLU 96 Ca 0.09 -0.17 0.09 0.00 -0.00 0.00 0.00 57.16 57.17 2f3x n GLU 96 Cb 0.36 -1.45 0.03 0.00 -0.00 0.00 0.00 31.44 30.38 2f3x n GLU 96 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 2f3x n HIS 97 N -0.76 0.00 -4.39 -1.84 8.25 -0.45 -5.05 115.22 110.99 2f3x n HIS 97 Ca 0.21 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.42 2f3x n HIS 97 Cb 0.14 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.14 2f3x n HIS 97 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2f3x s VAL 98 N -1.79 2.15 0.43 1.59 0.11 -1.15 -1.54 120.40 120.21 2f3x s VAL 98 Ca 0.17 -1.99 -0.24 0.00 -2.93 0.00 0.00 61.98 56.99 2f3x s VAL 98 Cb 0.14 -2.01 -0.08 0.00 -1.53 0.00 0.00 36.38 32.90 2f3x s VAL 98 CO 0.34 -0.20 1.14 -0.36 -3.33 0.00 0.00 175.10 172.70 2f3x s PHE 99 N -1.82 3.01 0.19 1.54 0.40 0.80 -4.85 117.98 117.26 2f3x s PHE 99 Ca 0.19 1.56 -0.08 0.00 -0.60 0.00 0.00 56.93 58.00 2f3x s PHE 99 Cb -0.07 -3.33 0.10 0.00 0.51 0.00 0.00 43.02 40.24 2f3x s PHE 99 CO 0.09 -1.26 1.68 0.66 0.70 0.00 0.00 175.22 177.09 2f3x h SER 100 N 2.30 1.07 -0.44 1.36 4.64 -1.92 -0.52 113.55 120.03 2f3x h SER 100 Ca -0.49 -0.26 0.04 0.00 -0.47 0.00 0.00 61.79 60.61 2f3x h SER 100 Cb 1.24 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 63.02 2f3x h SER 100 CO 0.61 1.07 0.29 0.03 -0.87 0.00 0.00 176.83 177.96 2f3x h ARG 101 N 1.03 0.43 0.00 4.77 3.08 -1.98 -3.37 114.38 118.33 2f3x h ARG 101 Ca 0.20 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.22 2f3x h ARG 101 Cb 0.47 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.42 2f3x h ARG 101 CO 0.02 0.28 0.00 0.27 -1.07 0.00 0.00 179.97 179.47 2f3x n ASN 102 N -4.48 0.00 -4.20 7.04 2.04 -1.16 -5.03 115.26 109.48 2f3x n ASN 102 Ca 0.05 -1.00 -0.35 0.00 -0.44 0.00 0.00 54.58 52.84 2f3x n ASN 102 Cb 0.18 0.00 -0.02 0.00 -2.53 0.00 0.00 39.78 37.41 2f3x n ASN 102 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2f3x n GLN 103 N 0.00 -3.24 -3.54 -3.83 3.00 -0.21 -4.91 117.38 104.65 2f3x n GLN 103 Ca 0.00 0.38 -0.37 0.00 -0.01 0.00 0.00 57.00 57.00 2f3x n GLN 103 Cb 0.48 -5.06 -0.06 0.00 0.00 0.00 0.00 30.24 25.60 2f3x n GLN 103 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 2f3x s ILE 104 N -3.35 5.20 0.44 5.09 1.01 -1.26 -1.18 121.20 127.15 2f3x s ILE 104 Ca 0.68 0.68 -0.24 0.00 0.00 0.00 0.00 60.65 61.76 2f3x s ILE 104 Cb -0.37 -3.66 -0.08 0.00 0.01 0.00 0.00 42.46 38.37 2f3x s ILE 104 CO 0.92 0.49 1.22 0.00 0.00 0.00 0.00 174.94 177.58 2f3x s ALA 105 N -0.36 3.08 0.41 9.38 0.00 0.70 -0.14 121.76 134.83 2f3x s ALA 105 Ca 0.21 1.06 -0.23 0.00 0.00 0.00 0.00 51.96 53.00 2f3x s ALA 105 Cb -0.15 -3.43 -0.09 0.00 0.00 0.00 0.00 23.12 19.45 2f3x s ALA 105 CO 0.09 -0.75 1.03 1.03 0.00 0.00 0.00 175.76 177.17 2f3x s ARG 106 N -2.50 4.13 0.27 0.00 1.81 -0.59 -4.82 118.95 117.26 2f3x s ARG 106 Ca 0.61 1.45 -0.00 0.00 -1.72 0.00 0.00 55.73 56.06 2f3x s ARG 106 Cb -0.33 -2.46 0.36 0.00 -0.45 0.00 0.00 34.95 32.08 2f3x s ARG 106 CO 0.41 -0.16 1.74 0.78 -0.68 0.00 0.00 175.30 177.39 2f3x h GLY 107 N 2.34 0.72 2.00 -3.53 0.00 -1.93 -2.17 103.07 100.50 2f3x h GLY 107 Ca -0.48 -0.52 0.00 0.00 0.00 0.00 0.00 47.33 46.32 2f3x h GLY 107 CO 0.62 0.48 0.00 1.12 0.00 0.00 0.00 176.54 178.76 2f3x h HIS 108 N 0.61 0.00 0.20 5.60 2.07 -1.97 0.26 115.15 121.93 2f3x h HIS 108 Ca 0.11 0.00 -0.31 0.00 -2.85 0.00 0.00 60.37 57.31 2f3x h HIS 108 Cb 0.54 0.00 0.02 0.00 2.57 0.00 0.00 27.41 30.55 2f3x h HIS 108 CO 0.02 0.00 -1.47 0.45 -3.07 0.00 0.00 177.93 173.86 2f3x h HIS 109 N 0.00 0.77 -0.70 6.12 3.86 -1.74 0.79 115.15 124.25 2f3x h HIS 109 Ca 0.00 -0.56 0.13 0.00 -1.16 0.00 0.00 60.37 58.78 2f3x h HIS 109 Cb 0.29 -0.03 -0.09 0.00 1.06 0.00 0.00 27.41 28.64 2f3x h HIS 109 CO 0.00 1.57 0.25 -0.07 0.86 0.00 0.00 177.93 180.54 2f3x h LEU 110 N 0.00 0.20 0.04 2.43 3.38 -1.41 -0.59 115.31 119.36 2f3x h LEU 110 Ca -0.28 0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 2f3x h LEU 110 Cb 2.02 0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.88 2f3x h LEU 110 CO 0.20 0.08 -0.02 0.15 0.09 0.00 0.00 178.44 178.94 2f3x h PHE 111 N 0.39 -0.05 -0.80 1.13 3.57 -0.90 -2.56 116.94 117.73 2f3x h PHE 111 Ca 0.38 -0.00 0.19 0.00 3.53 0.00 0.00 57.97 62.06 2f3x h PHE 111 Cb 0.56 0.02 -0.12 0.00 2.79 0.00 0.00 35.95 39.20 2f3x h PHE 111 CO -0.19 0.25 0.22 0.00 -2.23 0.00 0.00 178.31 176.36 2f3x h ALA 112 N 0.60 1.09 -0.18 2.41 0.00 -0.50 0.50 119.26 123.19 2f3x h ALA 112 Ca -0.01 0.18 0.04 0.00 0.00 0.00 0.00 54.91 55.13 2f3x h ALA 112 Cb 0.32 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 2f3x h ALA 112 CO 0.01 -0.37 -0.09 0.37 0.00 0.00 0.00 179.25 179.17 2f3x h GLN 113 N 0.27 -0.07 -0.11 0.00 4.15 -1.00 -0.49 115.11 117.86 2f3x h GLN 113 Ca 0.47 0.00 -0.18 0.00 0.77 0.00 0.00 58.65 59.71 2f3x h GLN 113 Cb 0.85 0.02 -0.00 0.00 0.21 0.00 0.00 27.48 28.56 2f3x h GLN 113 CO -0.56 -0.05 -0.69 0.00 -1.93 0.00 0.00 178.83 175.61 2f3x h ALA 114 N 1.08 0.59 -0.03 3.38 0.00 -0.61 -2.85 119.26 120.83 2f3x h ALA 114 Ca 0.10 -0.58 -0.07 0.00 0.00 0.00 0.00 54.91 54.36 2f3x h ALA 114 Cb 0.22 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2f3x h ALA 114 CO -0.22 0.73 -0.26 -0.97 0.00 0.00 0.00 179.25 178.53 2f3x h ASN 115 N 0.34 0.28 0.79 0.00 -0.00 0.07 -1.48 115.58 115.58 2f3x h ASN 115 Ca -0.02 -0.71 -0.01 0.00 -0.00 0.00 0.00 56.30 55.57 2f3x h ASN 115 Cb 1.26 -0.08 -0.00 0.00 -0.00 0.00 0.00 38.32 39.50 2f3x h ASN 115 CO 0.12 0.94 -0.03 0.77 -0.00 0.00 0.00 177.43 179.24 2f3x h SER 116 N -0.36 0.00 0.08 1.15 4.64 -1.14 -1.07 113.55 116.85 2f3x h SER 116 Ca -0.02 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.12 2f3x h SER 116 Cb 0.96 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.06 2f3x h SER 116 CO 0.05 0.03 -0.74 0.25 -0.87 0.00 0.00 176.83 175.55 2f3x h LEU 117 N 0.00 0.51 -2.46 5.97 5.85 -1.23 -1.58 115.31 122.37 2f3x h LEU 117 Ca -0.00 -0.87 -0.01 0.00 0.84 0.00 0.00 57.88 57.84 2f3x h LEU 117 Cb 0.43 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.29 2f3x h LEU 117 CO 0.00 1.33 -0.02 0.00 -0.34 0.00 0.00 178.44 179.41 2f3x h ALA 118 N 0.18 1.31 0.00 1.25 0.00 -0.83 -1.06 119.26 120.12 2f3x h ALA 118 Ca -0.12 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 2f3x h ALA 118 Cb 1.52 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.30 2f3x h ALA 118 CO 0.14 0.03 -0.00 0.28 0.00 0.00 0.00 179.25 179.70 2f3x h VAL 119 N 0.00 1.65 0.00 0.00 2.07 -1.09 -3.36 116.25 115.52 2f3x h VAL 119 Ca -0.00 -2.04 -0.04 0.00 0.82 0.00 0.00 66.70 65.44 2f3x h VAL 119 Cb 0.09 3.01 -0.01 0.00 -1.52 0.00 0.00 31.29 32.86 2f3x h VAL 119 CO 0.00 0.52 -0.19 0.00 0.02 0.00 0.00 177.57 177.92 2f3x h ALA 120 N 0.07 1.53 -0.10 1.67 0.00 -0.33 -2.48 119.26 119.64 2f3x h ALA 120 Ca -0.00 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 2f3x h ALA 120 Cb 0.86 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2f3x h ALA 120 CO 0.00 0.24 -0.24 -0.39 0.00 0.00 0.00 179.25 178.86 2f3x h VAL 121 N 0.00 1.22 -2.51 0.00 -1.51 -1.39 -3.43 116.25 108.62 2f3x h VAL 121 Ca -0.00 -1.02 -0.54 0.00 -1.23 0.00 0.00 66.70 63.91 2f3x h VAL 121 Cb 0.38 1.42 0.01 0.00 -2.13 0.00 0.00 31.29 30.96 2f3x h VAL 121 CO 0.03 0.30 1.15 -0.63 -1.23 0.00 0.00 177.57 177.18 2f3x s ILE 122 N -4.49 3.31 -1.03 7.19 1.09 -0.93 -0.14 121.20 126.20 2f3x s ILE 122 Ca -0.05 0.40 -0.22 0.00 -1.10 0.00 0.00 60.65 59.69 2f3x s ILE 122 Cb 0.15 -3.26 0.07 0.00 -1.06 0.00 0.00 42.46 38.36 2f3x s ILE 122 CO 0.74 -0.03 1.41 -0.62 -0.10 0.00 0.00 174.94 176.33 2f3x s ASP 123 N 3.75 6.57 0.00 3.58 -1.08 -1.26 -4.45 116.67 123.77 2f3x s ASP 123 Ca 0.80 -1.68 0.00 0.00 -0.52 0.00 0.00 52.55 51.15 2f3x s ASP 123 Cb -0.38 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 38.55 2f3x s ASP 123 CO 0.35 -1.38 0.00 -0.67 0.52 0.00 0.00 175.17 173.99 2f3x n ASP 124 N 8.33 0.00 -0.00 -0.34 -0.08 -1.26 -4.93 116.55 118.26 2f3x n ASP 124 Ca 0.33 0.00 0.14 0.00 -1.51 0.00 0.00 54.79 53.74 2f3x n ASP 124 Cb 0.50 0.00 0.56 0.00 2.34 0.00 0.00 41.12 44.52 2f3x n ASP 124 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 2f3x n GLU 125 N -0.15 0.03 -3.61 -0.67 0.28 -1.26 -3.04 120.64 112.22 2f3x n GLU 125 Ca 0.00 -0.00 -0.27 0.00 -0.16 0.00 0.00 57.16 56.73 2f3x n GLU 125 Cb 0.00 -1.50 -0.16 0.00 1.43 0.00 0.00 31.44 31.21 2f3x n GLU 125 CO 0.00 0.00 0.00 -1.17 -0.16 0.00 0.00 177.13 175.80 2f3x s LEU 126 N -2.98 0.53 -0.05 -1.84 2.96 -1.26 -4.49 118.68 111.55 2f3x s LEU 126 Ca 0.14 -0.82 0.05 0.00 -0.22 0.00 0.00 54.13 53.29 2f3x s LEU 126 Cb 0.19 -0.32 -0.01 0.00 0.50 0.00 0.00 46.19 46.55 2f3x s LEU 126 CO 0.55 -0.37 -0.22 0.00 -1.32 0.00 0.00 176.35 175.00 2f3x s ALA 127 N 2.09 1.92 0.01 5.97 0.00 -1.26 -1.21 121.76 129.27 2f3x s ALA 127 Ca 0.03 -0.92 0.01 0.00 0.00 0.00 0.00 51.96 51.09 2f3x s ALA 127 Cb -0.16 -0.60 -0.01 0.00 0.00 0.00 0.00 23.12 22.35 2f3x s ALA 127 CO -0.16 0.37 -0.03 -0.51 0.00 0.00 0.00 175.76 175.43 2f3x s LEU 128 N -0.11 2.11 -0.08 0.00 1.43 -0.75 -4.93 118.68 116.35 2f3x s LEU 128 Ca -0.03 -0.25 -0.30 0.00 -1.03 0.00 0.00 54.13 52.52 2f3x s LEU 128 Cb -0.13 -0.05 -0.02 0.00 0.03 0.00 0.00 46.19 46.02 2f3x s LEU 128 CO 0.03 -0.10 1.03 -0.89 0.23 0.00 0.00 176.35 176.65 2f3x s THR 129 N -0.66 4.72 -0.20 5.49 2.01 -1.26 0.96 115.64 126.70 2f3x s THR 129 Ca -0.06 1.98 -0.18 0.00 0.31 0.00 0.00 61.69 63.75 2f3x s THR 129 Cb -0.05 -4.27 -0.14 0.00 0.01 0.00 0.00 72.50 68.05 2f3x s THR 129 CO -0.00 0.03 0.06 0.00 -0.69 0.00 0.00 174.62 174.02 2f3x n ALA 130 N 4.86 0.73 -2.52 7.40 0.00 0.22 -4.88 120.51 126.32 2f3x n ALA 130 Ca 0.09 -0.52 -0.11 0.00 0.00 0.00 0.00 53.44 52.89 2f3x n ALA 130 Cb 0.49 -0.36 -0.08 0.00 0.00 0.00 0.00 19.45 19.50 2f3x n ALA 130 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2f3x s SER 131 N -6.61 0.11 -0.02 0.00 1.04 -1.13 -5.02 113.70 102.07 2f3x s SER 131 Ca -0.26 -1.25 -0.25 0.00 0.48 0.00 0.00 55.95 54.66 2f3x s SER 131 Cb 0.06 0.45 0.05 0.00 0.10 0.00 0.00 66.02 66.68 2f3x s SER 131 CO 0.49 -0.94 0.55 0.00 0.98 0.00 0.00 173.24 174.32 2f3x s ALA 132 N -4.09 -1.43 -0.09 5.32 0.00 -1.26 -0.89 121.76 119.32 2f3x s ALA 132 Ca 0.34 0.90 -0.01 0.00 0.00 0.00 0.00 51.96 53.19 2f3x s ALA 132 Cb 0.04 0.12 0.03 0.00 0.00 0.00 0.00 23.12 23.31 2f3x s ALA 132 CO 0.11 -0.38 -0.00 0.34 0.00 0.00 0.00 175.76 175.83 2f3x s ASP 133 N -1.42 1.81 0.03 0.00 2.15 -0.30 -4.98 116.67 113.96 2f3x s ASP 133 Ca -0.10 -0.19 0.01 0.00 0.43 0.00 0.00 52.55 52.70 2f3x s ASP 133 Cb -0.01 -0.50 -0.02 0.00 -0.30 0.00 0.00 42.92 42.09 2f3x s ASP 133 CO 0.06 -0.20 -0.05 0.27 -0.17 0.00 0.00 175.17 175.07 2f3x s ILE 134 N 1.93 0.34 -0.04 4.11 -4.36 -1.26 -1.01 121.20 120.91 2f3x s ILE 134 Ca 0.04 -0.93 0.03 0.00 -0.26 0.00 0.00 60.65 59.53 2f3x s ILE 134 Cb -0.13 -0.43 0.00 0.00 1.25 0.00 0.00 42.46 43.15 2f3x s ILE 134 CO -0.06 -0.39 -0.11 -0.13 0.24 0.00 0.00 174.94 174.49 2f3x s ARG 135 N -1.40 1.25 -0.41 0.37 0.52 0.27 -4.99 118.95 114.55 2f3x s ARG 135 Ca -0.11 -0.38 -0.10 0.00 -0.52 0.00 0.00 55.73 54.62 2f3x s ARG 135 Cb -0.09 -1.12 0.07 0.00 0.52 0.00 0.00 34.95 34.32 2f3x s ARG 135 CO -0.00 0.12 0.24 -0.06 0.02 0.00 0.00 175.30 175.63 2f3x s PHE 136 N 0.25 3.31 -0.40 -0.53 0.40 -1.26 -1.91 117.98 117.84 2f3x s PHE 136 Ca -0.05 -1.39 0.17 0.00 -0.60 0.00 0.00 56.93 55.06 2f3x s PHE 136 Cb -0.11 -2.82 -0.23 0.00 0.51 0.00 0.00 43.02 40.37 2f3x s PHE 136 CO 0.01 -0.80 0.55 0.25 0.70 0.00 0.00 175.22 175.93 2f3x n THR 137 N 4.94 0.00 -3.65 0.64 -2.24 -0.16 -4.93 114.28 108.86 2f3x n THR 137 Ca -0.11 -0.26 -0.09 0.00 -2.27 0.00 0.00 64.05 61.33 2f3x n THR 137 Cb 0.44 0.53 -0.08 0.00 -2.10 0.00 0.00 70.33 69.12 2f3x n THR 137 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2f3x s ARG 138 N -2.94 0.65 0.14 -0.78 0.52 -1.20 -4.90 118.95 110.44 2f3x s ARG 138 Ca -0.00 1.09 -0.31 0.00 -0.52 0.00 0.00 55.73 55.98 2f3x s ARG 138 Cb 0.12 0.14 -0.10 0.00 0.52 0.00 0.00 34.95 35.63 2f3x s ARG 138 CO 0.72 -0.14 1.69 -0.65 0.02 0.00 0.00 175.30 176.93 2f3x s GLN 139 N 1.41 4.17 0.01 3.54 -0.21 -1.26 -4.67 119.66 122.65 2f3x s GLN 139 Ca -0.09 2.46 -0.19 0.00 0.02 0.00 0.00 55.36 57.57 2f3x s GLN 139 Cb -0.06 -3.36 -0.06 0.00 1.00 0.00 0.00 33.01 30.53 2f3x s GLN 139 CO -0.16 -0.73 0.53 0.08 -2.12 0.00 0.00 175.29 172.90 2f3x s VAL 140 N 1.93 4.90 -0.01 1.09 1.01 -1.26 -4.99 120.40 123.08 2f3x s VAL 140 Ca 0.75 1.11 -0.02 0.00 0.00 0.00 0.00 61.98 63.82 2f3x s VAL 140 Cb -0.44 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.04 2f3x s VAL 140 CO 0.33 0.49 0.14 -0.54 0.00 0.00 0.00 175.10 175.52 2f3x s LYS 141 N -0.63 3.27 0.28 2.72 -0.14 -1.26 -0.21 119.74 123.77 2f3x s LYS 141 Ca 0.28 -0.40 -0.27 0.00 -1.36 0.00 0.00 55.97 54.22 2f3x s LYS 141 Cb -0.18 -2.99 -0.15 0.00 -1.68 0.00 0.00 37.83 32.83 2f3x s LYS 141 CO 0.16 0.66 0.78 0.94 -0.76 0.00 0.00 175.35 177.13 2f3x n GLN 142 N 1.05 0.80 0.00 1.68 7.27 -0.33 -1.92 117.38 125.94 2f3x n GLN 142 Ca -0.12 0.28 0.00 0.00 0.07 0.00 0.00 57.00 57.23 2f3x n GLN 142 Cb 0.53 -1.52 0.00 0.00 2.41 0.00 0.00 30.24 31.65 2f3x n GLN 142 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2f3x n GLY 143 N 1.56 3.13 3.85 1.69 0.00 0.25 -5.02 105.19 110.65 2f3x n GLY 143 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 2f3x n GLY 143 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2f3x s GLU 144 N -0.34 3.79 -0.24 1.61 2.02 -0.81 -4.73 118.70 120.00 2f3x s GLU 144 Ca 0.00 0.93 -0.09 0.00 0.02 0.00 0.00 54.97 55.83 2f3x s GLU 144 Cb 0.00 -2.11 -0.04 0.00 0.10 0.00 0.00 34.13 32.08 2f3x s GLU 144 CO 0.00 -0.41 0.11 1.03 0.02 0.00 0.00 175.26 176.01 2f3x s ARG 145 N -4.36 3.82 -0.26 1.61 0.52 -1.26 -0.76 118.95 118.25 2f3x s ARG 145 Ca 0.58 -0.40 -0.15 0.00 -0.52 0.00 0.00 55.73 55.25 2f3x s ARG 145 Cb -0.11 -3.41 -0.04 0.00 0.52 0.00 0.00 34.95 31.92 2f3x s ARG 145 CO 0.38 -0.08 0.37 0.08 0.02 0.00 0.00 175.30 176.06 2f3x s VAL 146 N 1.38 5.18 -0.41 3.52 1.01 0.22 -4.48 120.40 126.82 2f3x s VAL 146 Ca 0.06 0.56 -0.16 0.00 0.00 0.00 0.00 61.98 62.44 2f3x s VAL 146 Cb -0.15 -3.69 0.02 0.00 0.00 0.00 0.00 36.38 32.56 2f3x s VAL 146 CO 0.05 0.17 0.35 -0.69 0.00 0.00 0.00 175.10 174.99 2f3x s VAL 147 N 1.98 5.19 -0.11 2.92 1.01 0.16 -0.67 120.40 130.88 2f3x s VAL 147 Ca 0.15 -0.55 -0.16 0.00 0.00 0.00 0.00 61.98 61.42 2f3x s VAL 147 Cb -0.16 -3.97 -0.05 0.00 0.00 0.00 0.00 36.38 32.20 2f3x s VAL 147 CO 0.10 -0.36 0.40 0.00 0.00 0.00 0.00 175.10 175.24 2f3x s ALA 148 N 1.85 3.55 -0.32 5.51 0.00 0.02 -0.12 121.76 132.26 2f3x s ALA 148 Ca 0.08 -0.29 0.03 0.00 0.00 0.00 0.00 51.96 51.77 2f3x s ALA 148 Cb -0.18 -2.51 0.09 0.00 0.00 0.00 0.00 23.12 20.52 2f3x s ALA 148 CO 0.11 0.11 0.04 0.15 0.00 0.00 0.00 175.76 176.18 2f3x s LYS 149 N 0.29 1.39 -0.12 0.00 1.02 0.56 -0.45 119.74 122.43 2f3x s LYS 149 Ca 0.22 -1.59 -0.23 0.00 0.02 0.00 0.00 55.97 54.38 2f3x s LYS 149 Cb -0.15 -2.88 -0.03 0.00 -0.52 0.00 0.00 37.83 34.26 2f3x s LYS 149 CO 0.08 -0.89 0.73 0.00 -0.92 0.00 0.00 175.35 174.35 2f3x s ALA 150 N 1.11 3.42 -0.07 5.17 0.00 -0.42 -1.42 121.76 129.56 2f3x s ALA 150 Ca 0.08 0.04 0.03 0.00 0.00 0.00 0.00 51.96 52.11 2f3x s ALA 150 Cb -0.19 -3.04 -0.02 0.00 0.00 0.00 0.00 23.12 19.87 2f3x s ALA 150 CO -0.11 -0.34 -0.15 0.15 0.00 0.00 0.00 175.76 175.31 2f3x s LYS 151 N 1.37 2.68 -0.32 0.00 1.02 0.22 -1.43 119.74 123.29 2f3x s LYS 151 Ca 0.36 -0.72 -0.20 0.00 0.02 0.00 0.00 55.97 55.44 2f3x s LYS 151 Cb -0.17 -2.40 -0.01 0.00 -0.52 0.00 0.00 37.83 34.73 2f3x s LYS 151 CO 0.15 0.51 0.60 0.08 -0.92 0.00 0.00 175.35 175.77 2f3x s VAL 152 N -0.44 4.95 -0.71 3.17 1.01 0.68 -0.28 120.40 128.79 2f3x s VAL 152 Ca 0.05 0.69 0.08 0.00 0.00 0.00 0.00 61.98 62.80 2f3x s VAL 152 Cb -0.12 -4.00 0.19 0.00 0.00 0.00 0.00 36.38 32.45 2f3x s VAL 152 CO 0.02 -0.18 1.11 0.35 0.00 0.00 0.00 175.10 176.40 2f3x n THR 153 N 5.43 0.83 -3.23 3.92 -2.24 -0.14 -4.86 114.28 114.00 2f3x n THR 153 Ca -0.02 -0.92 0.04 0.00 -2.27 0.00 0.00 64.05 60.88 2f3x n THR 153 Cb 0.49 0.61 -0.04 0.00 -2.10 0.00 0.00 70.33 69.29 2f3x n THR 153 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2f3x s ALA 154 N -0.94 -3.25 0.23 6.98 0.00 -1.22 -4.93 121.76 118.62 2f3x s ALA 154 Ca 0.15 1.80 0.08 0.00 0.00 0.00 0.00 51.96 53.98 2f3x s ALA 154 Cb 0.08 -2.27 -0.04 0.00 0.00 0.00 0.00 23.12 20.89 2f3x s ALA 154 CO 0.11 -0.90 0.09 0.08 0.00 0.00 0.00 175.76 175.13 2f3x s VAL 155 N 1.92 3.99 -0.44 0.00 1.01 -1.26 0.15 120.40 125.76 2f3x s VAL 155 Ca -0.00 -1.53 0.06 0.00 0.00 0.00 0.00 61.98 60.50 2f3x s VAL 155 Cb -0.01 -3.11 0.32 0.00 0.00 0.00 0.00 36.38 33.59 2f3x s VAL 155 CO -0.15 -0.28 1.15 -0.62 0.00 0.00 0.00 175.10 175.20 2f3x n GLU 156 N -0.77 0.91 -0.33 2.72 1.02 -0.63 -4.94 120.64 118.62 2f3x n GLU 156 Ca -0.08 -1.78 0.21 0.00 -0.02 0.00 0.00 57.16 55.49 2f3x n GLU 156 Cb 0.57 -0.92 0.42 0.00 -0.02 0.00 0.00 31.44 31.49 2f3x n GLU 156 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2f3x h LYS 157 N 2.90 0.30 0.00 3.49 1.57 -1.94 -2.01 116.57 120.88 2f3x h LYS 157 Ca -0.13 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 2f3x h LYS 157 Cb 1.11 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.36 2f3x h LYS 157 CO 0.11 0.20 0.00 0.39 -0.57 0.00 0.00 179.45 179.58 2f3x n GLU 158 N -5.09 0.00 -0.14 3.15 -0.58 -1.26 -2.96 120.64 113.76 2f3x n GLU 158 Ca 0.29 0.06 0.00 0.00 -0.42 0.00 0.00 57.16 57.09 2f3x n GLU 158 Cb 0.90 -0.57 0.00 0.00 -0.57 0.00 0.00 31.44 31.20 2f3x n GLU 158 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2f3x n LYS 159 N -0.13 0.68 -0.79 3.49 4.76 -0.82 -4.80 118.16 120.55 2f3x n LYS 159 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2f3x n LYS 159 Cb 0.00 -1.16 0.00 0.00 -1.84 0.00 0.00 35.03 32.03 2f3x n LYS 159 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2f3x n GLY 160 N 1.08 0.37 3.41 0.72 0.00 -0.85 -4.98 105.19 104.93 2f3x n GLY 160 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 2f3x n GLY 160 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2f3x s ARG 161 N -0.74 1.74 -0.28 1.61 1.04 -1.07 -0.64 118.95 120.61 2f3x s ARG 161 Ca 0.00 -2.02 -0.24 0.00 -1.04 0.00 0.00 55.73 52.42 2f3x s ARG 161 Cb 0.00 -0.31 0.09 0.00 -2.04 0.00 0.00 34.95 32.69 2f3x s ARG 161 CO 0.00 -0.46 0.84 0.99 -0.04 0.00 0.00 175.30 176.63 2f3x s THR 162 N -3.42 0.00 -0.18 4.99 2.01 -0.86 -1.60 115.64 116.58 2f3x s THR 162 Ca 0.32 0.00 -0.08 0.00 0.31 0.00 0.00 61.69 62.24 2f3x s THR 162 Cb 0.04 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.51 2f3x s THR 162 CO 0.17 0.00 0.09 -0.69 -0.69 0.00 0.00 174.62 173.50 2f3x s VAL 163 N 0.39 5.03 -0.11 3.82 1.01 0.12 -0.69 120.40 129.97 2f3x s VAL 163 Ca 0.01 0.05 0.03 0.00 0.00 0.00 0.00 61.98 62.06 2f3x s VAL 163 Cb -0.05 -3.27 0.01 0.00 0.00 0.00 0.00 36.38 33.07 2f3x s VAL 163 CO -0.03 0.47 -0.19 -0.69 0.00 0.00 0.00 175.10 174.66 2f3x s VAL 164 N 0.26 1.72 -0.22 2.92 1.01 -0.04 -0.96 120.40 125.08 2f3x s VAL 164 Ca 0.06 -0.79 -0.12 0.00 0.00 0.00 0.00 61.98 61.12 2f3x s VAL 164 Cb -0.12 -1.53 -0.05 0.00 0.00 0.00 0.00 36.38 34.69 2f3x s VAL 164 CO -0.00 0.48 0.21 -1.61 0.00 0.00 0.00 175.10 174.18 2f3x s GLU 165 N 0.72 4.12 -0.13 2.72 2.02 0.62 -0.57 118.70 128.20 2f3x s GLU 165 Ca -0.11 -0.14 -0.01 0.00 0.02 0.00 0.00 54.97 54.72 2f3x s GLU 165 Cb -0.16 -3.51 -0.02 0.00 0.10 0.00 0.00 34.13 30.53 2f3x s GLU 165 CO 0.02 0.09 -0.09 0.08 0.02 0.00 0.00 175.26 175.38 2f3x s VAL 166 N 0.97 3.44 -0.08 2.63 1.01 -0.52 -0.61 120.40 127.25 2f3x s VAL 166 Ca 0.10 -0.53 0.05 0.00 0.00 0.00 0.00 61.98 61.61 2f3x s VAL 166 Cb -0.13 -2.47 -0.00 0.00 0.00 0.00 0.00 36.38 33.78 2f3x s VAL 166 CO 0.04 0.52 -0.24 0.20 0.00 0.00 0.00 175.10 175.62 2f3x s ASN 167 N 0.20 3.06 0.03 3.32 -0.87 -0.51 -0.54 114.94 119.63 2f3x s ASN 167 Ca -0.05 -0.53 0.07 0.00 -1.57 0.00 0.00 52.86 50.77 2f3x s ASN 167 Cb -0.15 -1.13 -0.03 0.00 -0.02 0.00 0.00 41.25 39.92 2f3x s ASN 167 CO 0.04 0.20 -0.19 -0.44 -2.57 0.00 0.00 177.10 174.14 2f3x s SER 168 N 0.10 3.75 0.10 -1.22 0.01 0.10 -0.32 113.70 116.22 2f3x s SER 168 Ca -0.12 -0.41 0.07 0.00 1.31 0.00 0.00 55.95 56.80 2f3x s SER 168 Cb -0.16 -0.60 -0.03 0.00 0.21 0.00 0.00 66.02 65.43 2f3x s SER 168 CO 0.06 0.27 -0.17 -0.31 0.41 0.00 0.00 173.24 173.51 2f3x s TYR 169 N -0.88 1.50 -0.22 2.43 1.51 0.83 -1.14 117.35 121.38 2f3x s TYR 169 Ca 0.14 -0.47 0.01 0.00 -1.01 0.00 0.00 57.07 55.75 2f3x s TYR 169 Cb -0.10 -0.81 0.03 0.00 -0.11 0.00 0.00 41.96 40.97 2f3x s TYR 169 CO 0.04 0.15 -0.15 0.08 -1.11 0.00 0.00 175.55 174.56 2f3x s VAL 170 N -1.47 2.22 0.00 0.71 1.01 -0.63 -0.67 120.40 121.57 2f3x s VAL 170 Ca 0.04 -1.17 0.00 0.00 0.00 0.00 0.00 61.98 60.85 2f3x s VAL 170 Cb -0.09 -2.08 0.00 0.00 0.00 0.00 0.00 36.38 34.21 2f3x s VAL 170 CO 0.03 0.31 0.00 0.61 0.00 0.00 0.00 175.10 176.05 2f3x n GLY 171 N 4.57 1.55 1.19 4.51 0.00 -1.26 -1.47 105.19 114.27 2f3x n GLY 171 Ca -0.18 0.51 -0.05 0.00 0.00 0.00 0.00 46.02 46.30 2f3x n GLY 171 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2f3x n GLU 172 N 0.00 1.87 -4.78 1.61 1.02 -1.26 -4.98 120.64 114.11 2f3x n GLU 172 Ca 0.00 -3.23 -0.25 0.00 -0.02 0.00 0.00 57.16 53.66 2f3x n GLU 172 Cb 0.00 -1.83 -0.16 0.00 -0.02 0.00 0.00 31.44 29.44 2f3x n GLU 172 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2f3x s GLU 173 N -3.28 1.54 -0.04 3.49 2.02 -0.54 -5.10 118.70 116.80 2f3x s GLU 173 Ca 0.45 -0.58 -0.30 0.00 0.02 0.00 0.00 54.97 54.56 2f3x s GLU 173 Cb 0.41 -1.40 -0.04 0.00 0.10 0.00 0.00 34.13 33.20 2f3x s GLU 173 CO -0.01 0.28 1.21 0.42 0.02 0.00 0.00 175.26 177.18 2f3x s ILE 174 N -0.13 4.21 -0.04 -1.63 1.01 -1.26 -1.61 121.20 121.75 2f3x s ILE 174 Ca 0.01 1.55 0.14 0.00 0.00 0.00 0.00 60.65 62.35 2f3x s ILE 174 Cb -0.09 -3.99 -0.22 0.00 0.01 0.00 0.00 42.46 38.17 2f3x s ILE 174 CO 0.01 0.02 0.32 1.33 0.00 0.00 0.00 174.94 176.61 2f3x n VAL 175 N 4.52 0.00 -3.65 2.92 0.24 -0.30 -4.20 118.33 117.86 2f3x n VAL 175 Ca 0.11 -0.32 -0.13 0.00 -2.04 0.00 0.00 64.34 61.95 2f3x n VAL 175 Cb 0.46 0.20 -0.08 0.00 -1.47 0.00 0.00 33.84 32.95 2f3x n VAL 175 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 2f3x s PHE 176 N -2.97 -0.74 0.01 6.34 5.36 -1.19 -0.99 117.98 123.79 2f3x s PHE 176 Ca -0.05 1.77 -0.05 0.00 -0.96 0.00 0.00 56.93 57.65 2f3x s PHE 176 Cb 0.09 0.27 -0.00 0.00 -0.34 0.00 0.00 43.02 43.04 2f3x s PHE 176 CO 0.59 -0.36 0.08 -1.54 -1.46 0.00 0.00 175.22 172.54 2f3x s SER 177 N 0.45 0.09 0.04 6.13 1.04 -0.81 0.02 113.70 120.66 2f3x s SER 177 Ca -0.01 -0.28 -0.17 0.00 0.48 0.00 0.00 55.95 55.97 2f3x s SER 177 Cb -0.05 0.17 0.03 0.00 0.10 0.00 0.00 66.02 66.28 2f3x s SER 177 CO -0.01 -0.33 0.40 -0.83 0.98 0.00 0.00 173.24 173.45 2f3x s GLY 178 N -1.33 -0.25 -0.12 7.32 0.00 0.30 -0.57 107.32 112.68 2f3x s GLY 178 Ca -0.14 0.28 -0.07 0.00 0.00 0.00 0.00 44.72 44.78 2f3x s GLY 178 CO 0.01 0.02 0.15 0.50 0.00 0.00 0.00 173.10 173.78 2f3x s ARG 179 N -2.43 3.49 -0.10 2.90 0.52 -0.18 -1.43 118.95 121.71 2f3x s ARG 179 Ca -0.06 -0.11 0.01 0.00 -0.52 0.00 0.00 55.73 55.06 2f3x s ARG 179 Cb -0.01 -3.20 0.02 0.00 0.52 0.00 0.00 34.95 32.28 2f3x s ARG 179 CO -0.02 0.76 -0.12 -0.06 0.02 0.00 0.00 175.30 175.88 2f3x s PHE 180 N -0.98 1.70 -0.46 -0.53 0.40 0.26 -1.15 117.98 117.22 2f3x s PHE 180 Ca 0.15 -0.78 -0.23 0.00 -0.60 0.00 0.00 56.93 55.47 2f3x s PHE 180 Cb -0.12 -1.28 0.03 0.00 0.51 0.00 0.00 43.02 42.16 2f3x s PHE 180 CO 0.04 -0.44 0.81 -0.51 0.70 0.00 0.00 175.22 175.83 2f3x s ASP 181 N 1.11 6.41 0.06 1.36 -0.00 -0.07 -0.86 116.67 124.68 2f3x s ASP 181 Ca -0.05 -0.11 -0.02 0.00 -0.00 0.00 0.00 52.55 52.36 2f3x s ASP 181 Cb -0.14 -2.40 -0.04 0.00 -0.00 0.00 0.00 42.92 40.33 2f3x s ASP 181 CO -0.02 -0.96 0.25 -0.04 -0.00 0.00 0.00 175.17 174.40 2f3x s MET 182 N 3.40 3.50 0.11 8.23 -1.94 0.13 0.68 119.30 133.41 2f3x s MET 182 Ca 0.31 -0.29 0.02 0.00 -1.71 0.00 0.00 55.69 54.02 2f3x s MET 182 Cb -0.12 -3.01 -0.04 0.00 2.01 0.00 0.00 34.83 33.67 2f3x s MET 182 CO 0.23 0.60 0.22 -0.47 -0.01 0.00 0.00 175.02 175.58 2f3x s TYR 183 N -1.48 3.43 0.17 -0.03 5.04 0.27 -2.02 117.35 122.73 2f3x s TYR 183 Ca 0.34 0.14 -0.10 0.00 -2.44 0.00 0.00 57.07 55.01 2f3x s TYR 183 Cb -0.13 -1.68 -0.00 0.00 0.35 0.00 0.00 41.96 40.50 2f3x s TYR 183 CO 0.24 0.54 0.31 -0.98 -1.34 0.00 0.00 175.55 174.33 2f3x s ARG 184 N -2.87 1.17 0.00 4.97 1.70 0.18 -1.81 118.95 122.29 2f3x s ARG 184 Ca 0.34 -1.12 0.00 0.00 -0.47 0.00 0.00 55.73 54.47 2f3x s ARG 184 Cb -0.12 0.40 0.00 0.00 -0.57 0.00 0.00 34.95 34.66 2f3x s ARG 184 CO 0.27 -0.44 0.00 0.45 -1.08 0.00 0.00 175.30 174.50 2f3x n SER 185 N -0.23 0.00 0.00 -2.89 2.88 -0.35 -4.69 113.62 108.34 2f3x n SER 185 Ca -0.08 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.46 2f3x n SER 185 Cb 0.63 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.09 2f3x n SER 185 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10