#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f3x n LEU 45 N 0.00 0.00 -4.72 -4.62 4.77 -1.26 -5.06 117.00 106.11 2f3x n LEU 45 Ca 0.00 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.72 2f3x n LEU 45 Cb 0.00 0.34 -0.08 0.00 -2.33 0.00 0.00 43.42 41.35 2f3x n LEU 45 CO 0.00 0.00 -0.18 -0.94 -1.33 0.00 0.00 177.39 174.94 2f3x s SER 46 N -2.60 4.32 0.37 -1.43 1.04 -1.26 -4.95 113.70 109.19 2f3x s SER 46 Ca 0.00 -1.16 0.07 0.00 0.48 0.00 0.00 55.95 55.34 2f3x s SER 46 Cb 0.00 -0.41 0.71 0.00 0.10 0.00 0.00 66.02 66.42 2f3x s SER 46 CO 0.00 -0.55 1.91 0.40 0.98 0.00 0.00 173.24 175.98 2f3x h ILE 47 N 1.47 1.18 -0.41 -1.02 2.04 -1.98 0.20 117.51 118.99 2f3x h ILE 47 Ca -0.43 -0.71 0.08 0.00 1.00 0.00 0.00 64.86 64.80 2f3x h ILE 47 Cb 1.25 1.00 -0.08 0.00 -0.74 0.00 0.00 36.82 38.25 2f3x h ILE 47 CO 0.72 0.24 -0.13 -0.65 0.00 0.00 0.00 178.15 178.32 2f3x h PRO 48 N 0.40 -0.04 -0.05 2.37 0.11 -1.99 -2.03 132.00 130.77 2f3x h PRO 48 Ca 0.09 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.96 2f3x h PRO 48 Cb 0.30 0.01 0.01 0.00 0.11 0.00 0.00 31.00 31.43 2f3x h PRO 48 CO 0.01 -0.03 -0.92 0.93 -0.21 0.00 0.00 178.00 177.78 2f3x h GLU 49 N -0.04 0.63 -0.33 1.05 5.08 -1.57 -1.81 114.58 117.58 2f3x h GLU 49 Ca 0.20 -0.61 0.02 0.00 -1.00 0.00 0.00 59.36 57.97 2f3x h GLU 49 Cb 0.35 0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.73 2f3x h GLU 49 CO -0.45 1.22 0.17 -0.07 -1.00 0.00 0.00 179.01 178.88 2f3x h LEU 50 N 0.38 0.26 -1.25 1.33 3.38 -0.73 -2.41 115.31 116.27 2f3x h LEU 50 Ca -0.09 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 2f3x h LEU 50 Cb 1.56 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 42.26 2f3x h LEU 50 CO 0.18 0.19 -0.16 -0.09 0.09 0.00 0.00 178.44 178.64 2f3x h ARG 51 N 0.35 0.31 -0.12 1.13 2.43 -1.33 -1.82 114.38 115.33 2f3x h ARG 51 Ca 0.14 -0.09 0.03 0.00 -0.81 0.00 0.00 59.98 59.26 2f3x h ARG 51 Cb 0.04 -0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 29.49 2f3x h ARG 51 CO -0.09 0.48 -0.50 0.93 -1.51 0.00 0.00 179.97 179.28 2f3x h GLU 52 N 0.29 -0.54 -0.33 0.20 4.39 -1.07 -0.66 114.58 116.87 2f3x h GLU 52 Ca 0.05 0.04 0.07 0.00 0.34 0.00 0.00 59.36 59.86 2f3x h GLU 52 Cb 0.47 0.12 -0.07 0.00 -0.10 0.00 0.00 28.75 29.17 2f3x h GLU 52 CO 0.03 -0.36 -0.14 0.00 -1.16 0.00 0.00 179.01 177.38 2f3x h ARG 53 N -0.56 -0.08 -0.53 2.33 2.47 -1.11 -2.33 114.38 114.56 2f3x h ARG 53 Ca 0.05 0.01 0.04 0.00 -1.26 0.00 0.00 59.98 58.81 2f3x h ARG 53 Cb 0.67 0.02 -0.04 0.00 -1.65 0.00 0.00 29.97 28.97 2f3x h ARG 53 CO -0.42 -0.05 0.29 0.82 0.56 0.00 0.00 179.97 181.16 2f3x h ILE 54 N -0.08 0.99 -0.72 2.04 2.04 -0.98 -1.19 117.51 119.61 2f3x h ILE 54 Ca 0.17 -0.19 0.01 0.00 1.00 0.00 0.00 64.86 65.84 2f3x h ILE 54 Cb 0.34 0.38 -0.04 0.00 -0.74 0.00 0.00 36.82 36.76 2f3x h ILE 54 CO -0.38 0.10 0.47 0.11 0.00 0.00 0.00 178.15 178.45 2f3x h LYS 55 N 0.56 0.95 -0.50 2.37 1.57 -0.92 0.82 116.57 121.42 2f3x h LYS 55 Ca 0.23 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.87 2f3x h LYS 55 Cb 0.10 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 2f3x h LYS 55 CO -0.14 0.63 -0.01 -0.91 -0.57 0.00 0.00 179.45 178.45 2f3x h ASN 56 N 0.98 0.87 -0.19 0.86 -0.26 -0.72 -1.52 115.58 115.60 2f3x h ASN 56 Ca 0.26 -0.31 -0.13 0.00 -0.56 0.00 0.00 56.30 55.56 2f3x h ASN 56 Cb -0.11 -0.23 0.00 0.00 -1.06 0.00 0.00 38.32 36.92 2f3x h ASN 56 CO -0.06 0.97 -0.40 0.58 -1.06 0.00 0.00 177.43 177.47 2f3x h VAL 57 N 0.74 1.33 -0.40 2.81 2.07 -1.12 -1.72 116.25 119.97 2f3x h VAL 57 Ca 0.14 -1.63 0.11 0.00 0.82 0.00 0.00 66.70 66.14 2f3x h VAL 57 Cb 0.53 1.89 -0.02 0.00 -1.52 0.00 0.00 31.29 32.17 2f3x h VAL 57 CO 0.03 0.50 0.30 0.00 0.02 0.00 0.00 177.57 178.43 2f3x h ALA 58 N 0.59 2.30 0.20 1.67 0.00 -0.77 -0.04 119.26 123.21 2f3x h ALA 58 Ca 0.00 -0.01 -0.31 0.00 0.00 0.00 0.00 54.91 54.59 2f3x h ALA 58 Cb 1.00 0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.84 2f3x h ALA 58 CO 0.09 -0.51 -1.42 1.49 0.00 0.00 0.00 179.25 178.90 2f3x h GLU 59 N 0.00 0.43 -0.27 0.00 4.81 -1.07 -2.99 114.58 115.49 2f3x h GLU 59 Ca 0.19 -0.73 -0.02 0.00 -0.13 0.00 0.00 59.36 58.66 2f3x h GLU 59 Cb 0.80 0.27 -0.01 0.00 0.63 0.00 0.00 28.75 30.43 2f3x h GLU 59 CO -0.00 1.35 0.07 0.87 -0.73 0.00 0.00 179.01 180.57 2f3x h LYS 60 N -0.01 0.38 -0.64 1.92 1.79 -0.85 0.18 116.57 119.35 2f3x h LYS 60 Ca -0.27 -0.05 -0.02 0.00 -2.18 0.00 0.00 60.65 58.14 2f3x h LYS 60 Cb 2.01 -0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 32.56 2f3x h LYS 60 CO 0.20 0.36 0.34 1.15 -1.08 0.00 0.00 179.45 180.42 2f3x h THR 61 N 0.38 1.21 -0.30 -0.16 2.02 -1.08 -1.05 112.91 113.92 2f3x h THR 61 Ca 0.09 -0.54 -0.01 0.00 0.77 0.00 0.00 66.41 66.72 2f3x h THR 61 Cb 0.15 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 66.94 2f3x h THR 61 CO -0.00 0.23 0.15 -0.07 0.37 0.00 0.00 175.52 176.19 2f3x h LEU 62 N 0.87 0.40 -1.49 2.58 4.07 -1.30 -2.13 115.31 118.30 2f3x h LEU 62 Ca 0.22 -0.13 0.15 0.00 0.08 0.00 0.00 57.88 58.21 2f3x h LEU 62 Cb 0.07 -0.10 -0.06 0.00 1.08 0.00 0.00 40.66 41.65 2f3x h LEU 62 CO -0.03 0.41 0.53 -0.33 -1.08 0.00 0.00 178.44 177.94 2f3x h GLU 63 N 0.36 0.48 -0.01 1.13 5.08 -0.78 -2.96 114.58 117.87 2f3x h GLU 63 Ca 0.10 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2f3x h GLU 63 Cb 0.12 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.26 2f3x h GLU 63 CO -0.01 0.31 -0.32 -0.25 -1.00 0.00 0.00 179.01 177.74 2f3x n ASP 64 N -4.50 1.60 -4.82 1.42 8.00 -0.41 -4.94 116.55 112.90 2f3x n ASP 64 Ca 0.16 -1.26 -0.32 0.00 0.71 0.00 0.00 54.79 54.08 2f3x n ASP 64 Cb 0.53 0.27 0.03 0.00 -0.02 0.00 0.00 41.12 41.93 2f3x n ASP 64 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2f3x s GLU 65 N -2.43 3.10 0.21 -1.24 2.02 -0.82 -4.77 118.70 114.78 2f3x s GLU 65 Ca 0.23 1.03 -0.32 0.00 0.02 0.00 0.00 54.97 55.93 2f3x s GLU 65 Cb 0.19 -2.01 -0.14 0.00 0.10 0.00 0.00 34.13 32.27 2f3x s GLU 65 CO 0.52 -0.97 1.30 0.28 0.02 0.00 0.00 175.26 176.41 2f3x n VAL 66 N -2.73 0.93 -0.01 2.63 0.31 -1.26 -4.94 118.33 113.25 2f3x n VAL 66 Ca 0.08 -0.23 0.02 0.00 -0.01 0.00 0.00 64.34 64.19 2f3x n VAL 66 Cb 0.53 -1.20 -0.05 0.00 -0.91 0.00 0.00 33.84 32.22 2f3x n VAL 66 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2f3x n LYS 67 N 1.91 0.90 0.07 5.55 5.02 -1.26 -4.85 118.16 125.50 2f3x n LYS 67 Ca 0.13 -0.04 0.02 0.00 -2.02 0.00 0.00 58.31 56.40 2f3x n LYS 67 Cb 0.28 -1.15 -0.04 0.00 -0.02 0.00 0.00 35.03 34.10 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 0.00 -5.43 4.39 4.64 -1.72 -3.38 113.55 112.05 2f3x h SER 68 Ca -0.04 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.04 2f3x h SER 68 Cb 0.56 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.60 2f3x h SER 68 CO 0.00 0.49 -0.07 -1.48 -0.87 0.00 0.00 176.83 174.90 2f3x s LEU 69 N -5.93 0.85 0.27 5.97 0.05 -1.26 -4.67 118.68 113.96 2f3x s LEU 69 Ca -0.01 -1.48 0.02 0.00 0.05 0.00 0.00 54.13 52.71 2f3x s LEU 69 Cb 0.08 1.80 -0.03 0.00 -2.05 0.00 0.00 46.19 45.99 2f3x s LEU 69 CO 0.79 -1.43 0.44 -0.94 -0.55 0.00 0.00 176.35 174.66 2f3x s SER 70 N -3.23 6.33 0.26 1.48 1.04 -1.26 -4.91 113.70 113.41 2f3x s SER 70 Ca 0.28 0.29 0.04 0.00 0.48 0.00 0.00 55.95 57.04 2f3x s SER 70 Cb -0.02 -1.96 0.34 0.00 0.10 0.00 0.00 66.02 64.48 2f3x s SER 70 CO 0.20 -0.15 1.63 -0.07 0.98 0.00 0.00 173.24 175.83 2f3x h LEU 71 N 1.22 0.34 -2.53 2.42 4.07 -1.96 -1.63 115.31 117.24 2f3x h LEU 71 Ca -0.50 -0.16 0.01 0.00 0.08 0.00 0.00 57.88 57.31 2f3x h LEU 71 Cb 1.22 -0.10 -0.00 0.00 1.08 0.00 0.00 40.66 42.86 2f3x h LEU 71 CO 0.63 0.76 0.03 -2.24 -1.08 0.00 0.00 178.44 176.54 2f3x h ASP 72 N 0.26 0.00 1.23 -0.43 3.04 -1.97 -0.14 116.42 118.41 2f3x h ASP 72 Ca 0.02 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.81 2f3x h ASP 72 Cb 0.92 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.21 2f3x h ASP 72 CO 0.08 0.00 0.00 -0.62 -2.04 0.00 0.00 179.24 176.66 2f3x n GLU 73 N -3.69 0.17 -2.88 4.15 1.02 -0.62 -4.75 120.64 114.05 2f3x n GLU 73 Ca -0.02 0.18 -0.41 0.00 -0.02 0.00 0.00 57.16 56.89 2f3x n GLU 73 Cb 0.11 -1.72 -0.04 0.00 -0.02 0.00 0.00 31.44 29.78 2f3x n GLU 73 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2f3x s VAL 74 N -3.09 4.94 -0.05 2.62 1.01 -0.07 -4.99 120.40 120.77 2f3x s VAL 74 Ca 0.11 1.75 -0.29 0.00 0.00 0.00 0.00 61.98 63.55 2f3x s VAL 74 Cb 0.14 -4.18 -0.02 0.00 0.00 0.00 0.00 36.38 32.32 2f3x s VAL 74 CO 0.54 0.22 0.96 -0.63 0.00 0.00 0.00 175.10 176.19 2f3x s ILE 75 N 0.84 4.85 0.00 2.22 1.09 -1.26 -4.82 121.20 124.12 2f3x s ILE 75 Ca 0.44 1.98 0.00 0.00 -1.10 0.00 0.00 60.65 61.97 2f3x s ILE 75 Cb -0.19 -4.28 0.00 0.00 -1.06 0.00 0.00 42.46 36.92 2f3x s ILE 75 CO 0.23 0.10 0.00 0.61 -0.10 0.00 0.00 174.94 175.78 2f3x n GLY 76 N 3.02 0.67 3.70 6.18 0.00 -1.26 -4.50 105.19 112.99 2f3x n GLY 76 Ca 0.06 -1.76 -0.38 0.00 0.00 0.00 0.00 46.02 43.94 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 -2.92 4.27 0.06 1.61 2.12 0.80 -4.84 118.70 119.79 2f3x s GLU 77 Ca 0.00 0.38 -0.30 0.00 0.36 0.00 0.00 54.97 55.40 2f3x s GLU 77 Cb 0.00 -3.49 -0.05 0.00 0.26 0.00 0.00 34.13 30.85 2f3x s GLU 77 CO 0.00 0.05 1.15 0.42 -0.54 0.00 0.00 175.26 176.34 2f3x s ILE 78 N 1.01 4.18 -0.14 -3.70 1.01 -1.26 -0.79 121.20 121.51 2f3x s ILE 78 Ca 0.24 1.58 0.11 0.00 0.00 0.00 0.00 60.65 62.58 2f3x s ILE 78 Cb -0.15 -4.01 -0.23 0.00 0.01 0.00 0.00 42.46 38.07 2f3x s ILE 78 CO 0.09 0.13 0.27 -0.38 0.00 0.00 0.00 174.94 175.06 2f3x n ILE 79 N 3.85 1.53 -3.66 2.92 2.08 0.67 -4.95 119.36 121.79 2f3x n ILE 79 Ca 0.08 -0.77 -0.13 0.00 0.56 0.00 0.00 62.75 62.49 2f3x n ILE 79 Cb 0.47 -0.95 -0.08 0.00 -0.75 0.00 0.00 39.64 38.34 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 -6.03 -0.68 -0.16 4.38 -1.08 -1.14 -4.98 116.67 106.99 2f3x s ASP 80 Ca -0.13 1.26 -0.04 0.00 -0.52 0.00 0.00 52.55 53.12 2f3x s ASP 80 Cb 0.07 1.25 0.07 0.00 -1.46 0.00 0.00 42.92 42.85 2f3x s ASP 80 CO 0.79 -0.22 0.21 -0.22 0.52 0.00 0.00 175.17 176.25 2f3x s LEU 81 N 0.58 -0.11 -0.26 -1.34 2.96 -1.26 -0.73 118.68 118.53 2f3x s LEU 81 Ca -0.02 0.04 -0.01 0.00 -0.22 0.00 0.00 54.13 53.92 2f3x s LEU 81 Cb -0.05 0.38 0.08 0.00 0.50 0.00 0.00 46.19 47.10 2f3x s LEU 81 CO -0.03 -0.29 0.04 -1.61 -1.32 0.00 0.00 176.35 173.14 2f3x s GLU 82 N 2.32 0.92 0.79 1.98 2.02 0.08 -5.00 118.70 121.81 2f3x s GLU 82 Ca 0.05 -0.88 -0.14 0.00 0.02 0.00 0.00 54.97 54.01 2f3x s GLU 82 Cb -0.14 -2.20 0.05 0.00 0.10 0.00 0.00 34.13 31.94 2f3x s GLU 82 CO -0.10 -0.79 1.06 1.28 0.02 0.00 0.00 175.26 176.72 2f3x n LEU 83 N 4.85 3.73 -3.72 1.80 4.77 -1.26 -1.66 117.00 125.51 2f3x n LEU 83 Ca -0.06 0.60 -0.27 0.00 -0.03 0.00 0.00 56.01 56.25 2f3x n LEU 83 Cb 0.44 -1.45 -0.04 0.00 -2.33 0.00 0.00 43.42 40.04 2f3x n LEU 83 CO 0.14 -1.97 -0.08 0.47 -1.33 0.00 0.00 177.39 174.61 2f3x n ASP 84 N -2.54 -2.12 0.00 -1.43 10.43 0.31 -4.62 116.55 116.57 2f3x n ASP 84 Ca 0.13 -0.58 0.00 0.00 2.57 0.00 0.00 54.79 56.91 2f3x n ASP 84 Cb 0.50 -1.84 0.00 0.00 1.84 0.00 0.00 41.12 41.62 2f3x n ASP 84 CO 0.00 0.00 0.00 -0.67 -1.07 0.00 0.00 177.20 175.46 2f3x n ASP 85 N -2.18 0.00 -4.01 -2.24 -0.08 -0.78 -4.81 116.55 102.45 2f3x n ASP 85 Ca 0.06 0.00 -0.10 0.00 -1.51 0.00 0.00 54.79 53.24 2f3x n ASP 85 Cb 0.49 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.88 2f3x n ASP 85 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2f3x s GLN 86 N -0.02 1.25 0.04 -0.67 -2.07 -0.66 0.55 119.66 118.08 2f3x s GLN 86 Ca 0.00 -1.26 -0.27 0.00 -1.82 0.00 0.00 55.36 52.01 2f3x s GLN 86 Cb 0.00 0.38 0.09 0.00 -1.09 0.00 0.00 33.01 32.39 2f3x s GLN 86 CO 0.00 -0.47 0.81 0.00 -1.32 0.00 0.00 175.29 174.32 2f3x s ALA 87 N -4.01 -1.76 -0.02 2.60 0.00 0.60 -0.74 121.76 118.43 2f3x s ALA 87 Ca 0.22 0.85 0.01 0.00 0.00 0.00 0.00 51.96 53.04 2f3x s ALA 87 Cb 0.03 0.54 0.02 0.00 0.00 0.00 0.00 23.12 23.71 2f3x s ALA 87 CO 0.04 -0.72 -0.02 0.42 0.00 0.00 0.00 175.76 175.48 2f3x s ILE 88 N -3.29 0.24 0.05 0.00 1.01 0.10 -0.41 121.20 118.89 2f3x s ILE 88 Ca 0.04 -0.02 0.04 0.00 0.00 0.00 0.00 60.65 60.71 2f3x s ILE 88 Cb -0.01 -0.28 -0.02 0.00 0.01 0.00 0.00 42.46 42.16 2f3x s ILE 88 CO -0.10 0.13 -0.11 -0.94 0.00 0.00 0.00 174.94 173.91 2f3x s SER 89 N 0.59 1.32 0.04 3.58 1.04 -0.67 -0.24 113.70 119.36 2f3x s SER 89 Ca -0.06 -0.50 0.06 0.00 0.48 0.00 0.00 55.95 55.93 2f3x s SER 89 Cb -0.09 -0.04 -0.03 0.00 0.10 0.00 0.00 66.02 65.95 2f3x s SER 89 CO -0.01 -0.07 -0.15 -0.63 0.98 0.00 0.00 173.24 173.36 2f3x s ILE 90 N -1.07 3.02 -0.04 -1.02 1.01 0.03 -0.56 121.20 122.57 2f3x s ILE 90 Ca -0.03 -1.13 -0.01 0.00 0.00 0.00 0.00 60.65 59.48 2f3x s ILE 90 Cb -0.09 -2.30 0.03 0.00 0.01 0.00 0.00 42.46 40.11 2f3x s ILE 90 CO 0.01 0.31 0.04 -0.22 0.00 0.00 0.00 174.94 175.08 2f3x s LEU 91 N -1.55 0.44 0.11 2.97 2.96 0.03 -0.14 118.68 123.49 2f3x s LEU 91 Ca 0.16 0.03 -0.10 0.00 -0.22 0.00 0.00 54.13 54.00 2f3x s LEU 91 Cb -0.11 -0.20 -0.06 0.00 0.50 0.00 0.00 46.19 46.32 2f3x s LEU 91 CO 0.07 -0.21 0.44 -1.83 -1.32 0.00 0.00 176.35 173.50 2f3x s GLU 92 N 1.89 3.79 -0.47 1.98 -1.05 -1.26 0.08 118.70 123.65 2f3x s GLU 92 Ca 0.02 0.22 -0.14 0.00 -0.15 0.00 0.00 54.97 54.92 2f3x s GLU 92 Cb -0.12 -2.95 0.08 0.00 -0.44 0.00 0.00 34.13 30.70 2f3x s GLU 92 CO -0.03 0.52 0.38 0.42 0.95 0.00 0.00 175.26 177.49 2f3x s ILE 93 N -1.46 4.95 0.13 1.83 -1.09 -0.16 -4.97 121.20 120.43 2f3x s ILE 93 Ca 0.36 -1.24 0.02 0.00 -2.23 0.00 0.00 60.65 57.56 2f3x s ILE 93 Cb -0.14 -4.02 0.02 0.00 -1.58 0.00 0.00 42.46 36.75 2f3x s ILE 93 CO 0.19 -0.61 0.18 0.29 -1.23 0.00 0.00 174.94 173.75 2f3x n LYS 94 N 5.13 0.85 -0.14 2.79 5.02 -1.26 0.07 118.16 130.62 2f3x n LYS 94 Ca -0.12 -0.66 -0.08 0.00 -2.02 0.00 0.00 58.31 55.43 2f3x n LYS 94 Cb 0.43 -0.06 0.08 0.00 -0.02 0.00 0.00 35.03 35.45 2f3x n LYS 94 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 2f3x h GLN 95 N 0.00 0.89 0.00 1.97 4.15 -1.95 -2.49 115.11 117.68 2f3x h GLN 95 Ca -0.06 -0.31 0.00 0.00 0.77 0.00 0.00 58.65 59.05 2f3x h GLN 95 Cb 0.27 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 27.89 2f3x h GLN 95 CO 0.08 0.95 0.00 -0.85 -1.93 0.00 0.00 178.83 177.08 2f3x n GLU 96 N -4.16 0.78 -0.28 1.69 0.00 -1.26 -2.85 120.64 114.56 2f3x n GLU 96 Ca 0.02 0.01 0.06 0.00 0.00 0.00 0.00 57.16 57.25 2f3x n GLU 96 Cb 0.38 -1.50 0.20 0.00 0.00 0.00 0.00 31.44 30.52 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 -1.07 0.71 -3.80 -1.84 8.25 -0.94 -4.99 115.22 111.55 2f3x n HIS 97 Ca 0.20 -0.32 -0.13 0.00 -0.26 0.00 0.00 57.72 57.21 2f3x n HIS 97 Cb 0.13 -0.07 -0.13 0.00 1.12 0.00 0.00 29.99 31.04 2f3x n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2f3x s VAL 98 N -1.53 -0.01 0.21 1.59 1.01 -1.13 -1.04 120.40 119.49 2f3x s VAL 98 Ca 0.30 0.05 -0.32 0.00 0.00 0.00 0.00 61.98 62.00 2f3x s VAL 98 Cb 0.17 -0.22 -0.13 0.00 0.00 0.00 0.00 36.38 36.20 2f3x s VAL 98 CO 0.18 0.02 1.59 0.49 0.00 0.00 0.00 175.10 177.38 2f3x n PHE 99 N 3.32 2.50 0.20 5.22 3.72 0.56 -4.85 117.46 128.13 2f3x n PHE 99 Ca -0.16 0.23 0.07 0.00 -0.05 0.00 0.00 57.45 57.53 2f3x n PHE 99 Cb 0.57 -2.58 0.38 0.00 -0.94 0.00 0.00 39.48 36.91 2f3x n PHE 99 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 2f3x h SER 100 N 5.67 0.00 -0.57 4.37 4.64 -1.92 -0.48 113.55 125.25 2f3x h SER 100 Ca -0.45 0.00 0.11 0.00 -0.47 0.00 0.00 61.79 60.98 2f3x h SER 100 Cb 1.24 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.24 2f3x h SER 100 CO 0.87 0.33 0.10 -0.09 -0.87 0.00 0.00 176.83 177.17 2f3x h ARG 101 N 0.00 0.23 0.00 4.77 2.43 -1.98 -3.39 114.38 116.43 2f3x h ARG 101 Ca -0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2f3x h ARG 101 Cb 0.84 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.34 2f3x h ARG 101 CO 0.04 0.15 -0.18 0.27 -1.51 0.00 0.00 179.97 178.75 2f3x n ASN 102 N -5.14 0.00 -2.89 -3.80 2.04 -1.09 -5.04 115.26 99.33 2f3x n ASN 102 Ca 0.08 -1.35 -0.21 0.00 -0.44 0.00 0.00 54.58 52.66 2f3x n ASN 102 Cb 0.30 -0.07 0.01 0.00 -2.53 0.00 0.00 39.78 37.49 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 -3.55 -3.61 -3.83 1.13 -0.21 -4.92 117.38 102.39 2f3x n GLN 103 Ca 0.00 0.78 -0.36 0.00 -1.94 0.00 0.00 57.00 55.47 2f3x n GLN 103 Cb 0.57 -5.53 -0.06 0.00 0.11 0.00 0.00 30.24 25.34 2f3x n GLN 103 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2f3x s ILE 104 N -3.00 5.15 0.35 5.09 1.01 -1.25 -0.25 121.20 128.30 2f3x s ILE 104 Ca 0.22 0.52 -0.27 0.00 0.00 0.00 0.00 60.65 61.12 2f3x s ILE 104 Cb -0.11 -3.63 -0.09 0.00 0.01 0.00 0.00 42.46 38.65 2f3x s ILE 104 CO 0.27 0.45 1.17 0.00 0.00 0.00 0.00 174.94 176.83 2f3x s ALA 105 N -1.22 3.29 0.22 9.38 0.00 0.16 -0.33 121.76 133.26 2f3x s ALA 105 Ca 0.26 0.99 -0.30 0.00 0.00 0.00 0.00 51.96 52.92 2f3x s ALA 105 Cb -0.15 -3.38 -0.09 0.00 0.00 0.00 0.00 23.12 19.51 2f3x s ALA 105 CO 0.14 -0.43 1.27 1.03 0.00 0.00 0.00 175.76 177.77 2f3x s ARG 106 N -1.97 4.42 0.39 0.00 1.81 -0.21 -4.82 118.95 118.57 2f3x s ARG 106 Ca 0.52 2.02 0.11 0.00 -1.72 0.00 0.00 55.73 56.65 2f3x s ARG 106 Cb -0.32 -3.19 0.89 0.00 -0.45 0.00 0.00 34.95 31.88 2f3x s ARG 106 CO 0.41 -0.18 1.92 0.78 -0.68 0.00 0.00 175.30 177.55 2f3x h GLY 107 N 5.01 0.93 2.00 -3.53 0.00 -1.93 -2.42 103.07 103.13 2f3x h GLY 107 Ca -0.45 -0.25 -0.02 0.00 0.00 0.00 0.00 47.33 46.61 2f3x h GLY 107 CO 0.75 0.11 -0.09 1.12 0.00 0.00 0.00 176.54 178.43 2f3x h HIS 108 N 0.60 0.00 -0.02 5.60 2.07 -1.97 -0.53 115.15 120.89 2f3x h HIS 108 Ca 0.38 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.87 2f3x h HIS 108 Cb 0.63 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.61 2f3x h HIS 108 CO -0.00 0.09 -0.07 0.45 -3.07 0.00 0.00 177.93 175.32 2f3x h HIS 109 N 0.00 0.12 -0.77 6.12 3.86 -1.79 0.58 115.15 123.28 2f3x h HIS 109 Ca -0.00 -0.05 0.15 0.00 -1.16 0.00 0.00 60.37 59.31 2f3x h HIS 109 Cb 0.38 -0.02 -0.10 0.00 1.06 0.00 0.00 27.41 28.73 2f3x h HIS 109 CO 0.00 0.69 0.30 -0.07 0.86 0.00 0.00 177.93 179.71 2f3x h LEU 110 N -0.49 0.26 -0.39 2.43 4.07 -1.46 -1.44 115.31 118.30 2f3x h LEU 110 Ca -0.00 0.12 -0.18 0.00 0.08 0.00 0.00 57.88 57.90 2f3x h LEU 110 Cb 0.70 0.10 -0.00 0.00 1.08 0.00 0.00 40.66 42.54 2f3x h LEU 110 CO 0.02 0.08 -0.55 0.15 -1.08 0.00 0.00 178.44 177.05 2f3x h PHE 111 N 0.42 0.93 -0.62 1.13 3.57 -1.06 -2.84 116.94 118.47 2f3x h PHE 111 Ca 0.43 -0.33 -0.04 0.00 3.53 0.00 0.00 57.97 61.56 2f3x h PHE 111 Cb 0.68 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.22 2f3x h PHE 111 CO -0.17 1.12 0.21 0.00 -2.23 0.00 0.00 178.31 177.24 2f3x h ALA 112 N 0.81 1.21 -0.52 2.41 0.00 -0.34 -0.18 119.26 122.65 2f3x h ALA 112 Ca 0.01 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2f3x h ALA 112 Cb 1.13 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 2f3x h ALA 112 CO 0.11 0.56 0.34 0.37 0.00 0.00 0.00 179.25 180.63 2f3x h GLN 113 N 0.90 0.70 0.09 0.00 4.15 -1.05 -0.38 115.11 119.51 2f3x h GLN 113 Ca 0.21 -0.05 -0.22 0.00 0.77 0.00 0.00 58.65 59.36 2f3x h GLN 113 Cb 0.23 -0.15 0.02 0.00 0.21 0.00 0.00 27.48 27.79 2f3x h GLN 113 CO -0.01 0.48 -0.90 0.00 -1.93 0.00 0.00 178.83 176.46 2f3x h ALA 114 N 1.18 -0.01 -0.35 3.38 0.00 -1.28 -2.37 119.26 119.82 2f3x h ALA 114 Ca 0.19 -0.68 -0.07 0.00 0.00 0.00 0.00 54.91 54.35 2f3x h ALA 114 Cb -0.05 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2f3x h ALA 114 CO -0.04 0.48 -0.05 -0.97 0.00 0.00 0.00 179.25 178.67 2f3x h ASN 115 N -0.04 0.65 0.93 0.00 -1.24 -1.02 0.18 115.58 115.04 2f3x h ASN 115 Ca -0.14 -0.35 -0.09 0.00 0.71 0.00 0.00 56.30 56.43 2f3x h ASN 115 Cb 1.63 -0.18 -0.01 0.00 0.73 0.00 0.00 38.32 40.50 2f3x h ASN 115 CO 0.17 0.84 -0.45 0.77 -1.29 0.00 0.00 177.43 177.47 2f3x h SER 116 N 0.44 0.00 0.31 1.15 4.64 -1.08 -0.69 113.55 118.32 2f3x h SER 116 Ca 0.09 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.15 2f3x h SER 116 Cb 0.54 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.64 2f3x h SER 116 CO 0.03 0.45 -1.10 0.25 -0.87 0.00 0.00 176.83 175.59 2f3x h LEU 117 N 0.00 0.64 -1.96 5.97 5.85 -1.13 -0.74 115.31 123.94 2f3x h LEU 117 Ca -0.00 -0.57 -0.02 0.00 0.84 0.00 0.00 57.88 58.13 2f3x h LEU 117 Cb 1.04 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.87 2f3x h LEU 117 CO 0.06 1.39 -0.09 0.00 -0.34 0.00 0.00 178.44 179.46 2f3x h ALA 118 N 0.55 1.67 0.00 1.25 0.00 0.04 -2.18 119.26 120.59 2f3x h ALA 118 Ca -0.13 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.57 2f3x h ALA 118 Cb 1.77 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.55 2f3x h ALA 118 CO 0.20 0.11 -0.52 0.28 0.00 0.00 0.00 179.25 179.31 2f3x h VAL 119 N 0.00 1.46 -0.82 0.00 2.07 -0.94 -3.37 116.25 114.66 2f3x h VAL 119 Ca -0.00 -2.07 0.02 0.00 0.82 0.00 0.00 66.70 65.47 2f3x h VAL 119 Cb 0.17 2.66 -0.04 0.00 -1.52 0.00 0.00 31.29 32.56 2f3x h VAL 119 CO 0.01 0.59 0.53 0.00 0.02 0.00 0.00 177.57 178.73 2f3x h ALA 120 N 0.29 1.05 0.00 1.67 0.00 -0.57 -1.86 119.26 119.84 2f3x h ALA 120 Ca -0.07 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2f3x h ALA 120 Cb 1.25 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.73 2f3x h ALA 120 CO 0.10 0.41 0.00 -0.39 0.00 0.00 0.00 179.25 179.37 2f3x h VAL 121 N 1.07 0.00 -3.26 0.00 -1.51 -1.57 -3.42 116.25 107.57 2f3x h VAL 121 Ca 0.31 -0.06 -0.57 0.00 -1.23 0.00 0.00 66.70 65.15 2f3x h VAL 121 Cb -0.08 0.71 -0.05 0.00 -2.13 0.00 0.00 31.29 29.74 2f3x h VAL 121 CO -0.08 0.00 0.52 -0.63 -1.23 0.00 0.00 177.57 176.14 2f3x s ILE 122 N -3.65 4.81 -1.18 7.19 -1.09 -0.70 0.11 121.20 126.69 2f3x s ILE 122 Ca -0.02 1.86 -0.19 0.00 -2.23 0.00 0.00 60.65 60.07 2f3x s ILE 122 Cb 0.08 -4.24 -0.03 0.00 -1.58 0.00 0.00 42.46 36.70 2f3x s ILE 122 CO 0.29 -0.01 1.97 -0.67 -1.23 0.00 0.00 174.94 175.29 2f3x n ASP 123 N 5.25 3.62 -3.59 3.58 -0.08 -1.26 -4.34 116.55 119.73 2f3x n ASP 123 Ca 0.07 -2.79 -0.15 0.00 -1.51 0.00 0.00 54.79 50.41 2f3x n ASP 123 Cb 0.48 -1.55 -0.07 0.00 2.34 0.00 0.00 41.12 42.32 2f3x n ASP 123 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2f3x s ASP 124 N 4.57 -0.72 0.31 1.67 -1.08 -1.26 -5.02 116.67 115.14 2f3x s ASP 124 Ca 0.56 1.21 0.01 0.00 -0.52 0.00 0.00 52.55 53.80 2f3x s ASP 124 Cb 0.09 1.17 0.54 0.00 -1.46 0.00 0.00 42.92 43.25 2f3x s ASP 124 CO 0.05 -0.37 1.95 -0.33 0.52 0.00 0.00 175.17 176.99 2f3x h GLU 125 N 4.35 0.98 -5.28 4.34 5.08 -1.89 -3.03 114.58 119.13 2f3x h GLU 125 Ca -0.28 -0.06 -0.68 0.00 -1.00 0.00 0.00 59.36 57.34 2f3x h GLU 125 Cb 1.15 -0.22 -0.33 0.00 0.50 0.00 0.00 28.75 29.85 2f3x h GLU 125 CO 0.16 0.65 -0.87 -1.17 -1.00 0.00 0.00 179.01 176.78 2f3x s LEU 126 N -9.91 2.13 -0.14 1.33 2.96 -1.26 -4.46 118.68 109.33 2f3x s LEU 126 Ca -0.11 -0.57 -0.06 0.00 -0.22 0.00 0.00 54.13 53.17 2f3x s LEU 126 Cb 0.19 -1.44 0.06 0.00 0.50 0.00 0.00 46.19 45.51 2f3x s LEU 126 CO 0.79 0.12 0.30 0.00 -1.32 0.00 0.00 176.35 176.24 2f3x s ALA 127 N 0.55 -0.70 0.09 5.97 0.00 -1.26 -4.36 121.76 122.05 2f3x s ALA 127 Ca -0.13 1.10 0.06 0.00 0.00 0.00 0.00 51.96 52.99 2f3x s ALA 127 Cb -0.17 -0.95 -0.03 0.00 0.00 0.00 0.00 23.12 21.97 2f3x s ALA 127 CO 0.04 -0.50 -0.17 -0.51 0.00 0.00 0.00 175.76 174.62 2f3x s LEU 128 N 2.03 2.30 -0.12 0.00 1.43 -0.50 -4.93 118.68 118.89 2f3x s LEU 128 Ca -0.03 -0.67 -0.27 0.00 -1.03 0.00 0.00 54.13 52.13 2f3x s LEU 128 Cb -0.11 -0.65 -0.02 0.00 0.03 0.00 0.00 46.19 45.44 2f3x s LEU 128 CO -0.10 -0.04 0.89 -0.89 0.23 0.00 0.00 176.35 176.45 2f3x s THR 129 N -1.34 4.86 -0.18 5.49 2.01 -1.26 0.23 115.64 125.45 2f3x s THR 129 Ca 0.02 1.79 -0.14 0.00 0.31 0.00 0.00 61.69 63.67 2f3x s THR 129 Cb -0.09 -4.20 -0.21 0.00 0.01 0.00 0.00 72.50 68.00 2f3x s THR 129 CO 0.03 0.05 0.21 0.00 -0.69 0.00 0.00 174.62 174.23 2f3x n ALA 130 N 4.89 0.88 -3.39 7.40 0.00 -0.42 -4.91 120.51 124.96 2f3x n ALA 130 Ca 0.05 -0.60 -0.12 0.00 0.00 0.00 0.00 53.44 52.78 2f3x n ALA 130 Cb 0.49 -0.54 -0.02 0.00 0.00 0.00 0.00 19.45 19.38 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 -6.97 -0.54 -0.08 0.00 1.04 -1.13 -5.01 113.70 101.01 2f3x s SER 131 Ca -0.27 -0.04 -0.10 0.00 0.48 0.00 0.00 55.95 56.02 2f3x s SER 131 Cb 0.07 0.59 0.02 0.00 0.10 0.00 0.00 66.02 66.81 2f3x s SER 131 CO 0.66 -0.97 0.28 0.00 0.98 0.00 0.00 173.24 174.19 2f3x s ALA 132 N -3.76 -0.69 -0.21 5.32 0.00 -1.26 -0.71 121.76 120.46 2f3x s ALA 132 Ca 0.01 0.66 -0.05 0.00 0.00 0.00 0.00 51.96 52.57 2f3x s ALA 132 Cb -0.01 -0.34 -0.03 0.00 0.00 0.00 0.00 23.12 22.75 2f3x s ALA 132 CO -0.13 -0.16 0.01 -0.51 0.00 0.00 0.00 175.76 174.98 2f3x s ASP 133 N -0.20 4.92 0.10 0.00 1.11 -0.53 -4.98 116.67 117.09 2f3x s ASP 133 Ca -0.03 -0.18 0.04 0.00 0.18 0.00 0.00 52.55 52.56 2f3x s ASP 133 Cb -0.03 -1.85 -0.04 0.00 1.07 0.00 0.00 42.92 42.08 2f3x s ASP 133 CO 0.01 0.06 -0.11 0.27 1.18 0.00 0.00 175.17 176.58 2f3x s ILE 134 N 1.04 1.04 -0.04 0.77 -4.36 -1.26 -0.64 121.20 117.74 2f3x s ILE 134 Ca 0.02 -1.66 -0.02 0.00 -0.26 0.00 0.00 60.65 58.73 2f3x s ILE 134 Cb -0.14 -1.41 0.03 0.00 1.25 0.00 0.00 42.46 42.19 2f3x s ILE 134 CO 0.02 -0.52 0.06 -0.60 0.24 0.00 0.00 174.94 174.14 2f3x s ARG 135 N -2.77 -0.05 -0.50 0.37 3.52 0.27 -5.00 118.95 114.79 2f3x s ARG 135 Ca 0.06 0.35 -0.17 0.00 -0.13 0.00 0.00 55.73 55.84 2f3x s ARG 135 Cb -0.03 -0.41 0.08 0.00 -1.56 0.00 0.00 34.95 33.02 2f3x s ARG 135 CO 0.01 -0.28 0.50 -0.06 -0.81 0.00 0.00 175.30 174.65 2f3x s PHE 136 N 1.86 3.17 -0.83 5.12 0.40 -1.26 -1.04 117.98 125.40 2f3x s PHE 136 Ca 0.01 -0.85 0.23 0.00 -0.60 0.00 0.00 56.93 55.72 2f3x s PHE 136 Cb -0.12 -3.40 0.11 0.00 0.51 0.00 0.00 43.02 40.12 2f3x s PHE 136 CO -0.03 -0.92 1.11 0.25 0.70 0.00 0.00 175.22 176.32 2f3x n THR 137 N 5.35 0.07 -3.64 0.64 -2.24 -0.62 -4.93 114.28 108.91 2f3x n THR 137 Ca -0.11 -0.10 -0.09 0.00 -2.27 0.00 0.00 64.05 61.48 2f3x n THR 137 Cb 0.44 0.43 -0.07 0.00 -2.10 0.00 0.00 70.33 69.03 2f3x n THR 137 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2f3x s ARG 138 N -3.09 0.52 0.13 -0.78 3.52 -1.21 -4.88 118.95 113.17 2f3x s ARG 138 Ca 0.07 0.61 -0.31 0.00 -0.13 0.00 0.00 55.73 55.97 2f3x s ARG 138 Cb 0.16 0.25 -0.08 0.00 -1.56 0.00 0.00 34.95 33.72 2f3x s ARG 138 CO 0.79 -0.06 1.40 -0.65 -0.81 0.00 0.00 175.30 175.97 2f3x s GLN 139 N 0.21 4.31 -0.15 5.12 -0.21 -1.26 -4.75 119.66 122.93 2f3x s GLN 139 Ca 0.03 2.11 -0.07 0.00 0.02 0.00 0.00 55.36 57.45 2f3x s GLN 139 Cb -0.05 -3.23 -0.04 0.00 1.00 0.00 0.00 33.01 30.69 2f3x s GLN 139 CO -0.06 -0.44 0.08 0.14 -2.12 0.00 0.00 175.29 172.88 2f3x s VAL 140 N 1.03 4.94 0.10 1.09 -7.23 -1.26 -5.02 120.40 114.04 2f3x s VAL 140 Ca 0.65 0.01 0.03 0.00 -1.81 0.00 0.00 61.98 60.86 2f3x s VAL 140 Cb -0.38 -3.18 -0.04 0.00 0.56 0.00 0.00 36.38 33.34 2f3x s VAL 140 CO 0.31 0.52 0.10 -0.54 -0.31 0.00 0.00 175.10 175.19 2f3x s LYS 141 N -0.19 2.93 0.43 4.82 -0.14 -1.26 0.38 119.74 126.71 2f3x s LYS 141 Ca 0.08 -0.71 -0.26 0.00 -1.36 0.00 0.00 55.97 53.73 2f3x s LYS 141 Cb -0.12 -2.74 -0.09 0.00 -1.68 0.00 0.00 37.83 33.21 2f3x s LYS 141 CO 0.01 0.55 1.41 -1.14 -0.76 0.00 0.00 175.35 175.42 2f3x s GLN 142 N -2.56 3.80 0.00 1.68 0.74 0.66 -2.08 119.66 121.90 2f3x s GLN 142 Ca 0.30 2.39 0.00 0.00 0.05 0.00 0.00 55.36 58.10 2f3x s GLN 142 Cb -0.12 -2.72 0.00 0.00 1.10 0.00 0.00 33.01 31.27 2f3x s GLN 142 CO 0.23 -0.71 0.00 0.41 -0.55 0.00 0.00 175.29 174.66 2f3x n GLY 143 N 0.58 0.57 3.85 2.59 0.00 0.11 -5.03 105.19 107.87 2f3x n GLY 143 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.82 3.93 -0.05 1.61 2.02 -0.88 -4.83 118.70 119.68 2f3x s GLU 144 Ca 0.00 0.47 -0.12 0.00 0.02 0.00 0.00 54.97 55.33 2f3x s GLU 144 Cb 0.00 -2.71 -0.05 0.00 0.10 0.00 0.00 34.13 31.47 2f3x s GLU 144 CO 0.00 0.34 0.32 1.03 0.02 0.00 0.00 175.26 176.97 2f3x s ARG 145 N -2.51 3.81 -0.22 1.61 0.52 -1.26 -0.99 118.95 119.91 2f3x s ARG 145 Ca 0.45 0.23 -0.03 0.00 -0.52 0.00 0.00 55.73 55.86 2f3x s ARG 145 Cb -0.13 -3.23 -0.00 0.00 0.52 0.00 0.00 34.95 32.11 2f3x s ARG 145 CO 0.20 0.67 -0.07 0.08 0.02 0.00 0.00 175.30 176.20 2f3x s VAL 146 N -0.91 3.10 -0.30 3.52 1.01 0.11 -4.54 120.40 122.39 2f3x s VAL 146 Ca 0.21 -0.62 -0.12 0.00 0.00 0.00 0.00 61.98 61.45 2f3x s VAL 146 Cb -0.15 -2.41 -0.04 0.00 0.00 0.00 0.00 36.38 33.78 2f3x s VAL 146 CO 0.10 0.42 0.22 -0.69 0.00 0.00 0.00 175.10 175.15 2f3x s VAL 147 N 1.43 5.29 -0.22 2.92 1.01 -0.00 -0.79 120.40 130.04 2f3x s VAL 147 Ca 0.05 0.11 -0.09 0.00 0.00 0.00 0.00 61.98 62.05 2f3x s VAL 147 Cb -0.14 -3.60 -0.05 0.00 0.00 0.00 0.00 36.38 32.60 2f3x s VAL 147 CO -0.05 0.17 0.12 0.00 0.00 0.00 0.00 175.10 175.34 2f3x s ALA 148 N 1.79 3.54 -0.19 5.51 0.00 0.28 -0.38 121.76 132.30 2f3x s ALA 148 Ca 0.08 -0.83 0.01 0.00 0.00 0.00 0.00 51.96 51.21 2f3x s ALA 148 Cb -0.16 -2.18 0.04 0.00 0.00 0.00 0.00 23.12 20.82 2f3x s ALA 148 CO 0.11 -0.06 -0.14 0.15 0.00 0.00 0.00 175.76 175.83 2f3x s LYS 149 N 0.79 2.35 -0.13 0.00 1.02 0.12 -1.68 119.74 122.22 2f3x s LYS 149 Ca 0.06 -0.86 0.03 0.00 0.02 0.00 0.00 55.97 55.22 2f3x s LYS 149 Cb -0.13 -2.47 0.00 0.00 -0.52 0.00 0.00 37.83 34.72 2f3x s LYS 149 CO 0.02 -0.36 -0.21 0.00 -0.92 0.00 0.00 175.35 173.88 2f3x s ALA 150 N 1.34 2.28 -0.01 5.17 0.00 0.45 -0.89 121.76 130.10 2f3x s ALA 150 Ca 0.00 -1.03 0.07 0.00 0.00 0.00 0.00 51.96 51.00 2f3x s ALA 150 Cb -0.15 -0.98 -0.02 0.00 0.00 0.00 0.00 23.12 21.97 2f3x s ALA 150 CO -0.09 0.09 -0.22 0.15 0.00 0.00 0.00 175.76 175.69 2f3x s LYS 151 N 0.63 1.77 -0.44 0.00 1.02 -0.20 -0.29 119.74 122.23 2f3x s LYS 151 Ca -0.11 -0.79 -0.24 0.00 0.02 0.00 0.00 55.97 54.85 2f3x s LYS 151 Cb -0.16 -1.72 0.02 0.00 -0.52 0.00 0.00 37.83 35.45 2f3x s LYS 151 CO 0.02 0.47 0.84 0.08 -0.92 0.00 0.00 175.35 175.85 2f3x s VAL 152 N -0.53 4.59 -1.05 3.17 1.01 0.19 -1.58 120.40 126.21 2f3x s VAL 152 Ca 0.08 0.65 0.21 0.00 0.00 0.00 0.00 61.98 62.93 2f3x s VAL 152 Cb -0.08 -4.35 -0.21 0.00 0.00 0.00 0.00 36.38 31.74 2f3x s VAL 152 CO -0.01 -0.71 0.93 0.35 0.00 0.00 0.00 175.10 175.66 2f3x n THR 153 N 6.18 0.00 -3.64 3.92 -2.24 0.09 -4.84 114.28 113.75 2f3x n THR 153 Ca 0.04 -0.01 -0.02 0.00 -2.27 0.00 0.00 64.05 61.79 2f3x n THR 153 Cb 0.48 0.98 -0.03 0.00 -2.10 0.00 0.00 70.33 69.67 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 -2.98 -2.17 -0.02 6.98 0.00 -1.15 -4.99 121.76 117.43 2f3x s ALA 154 Ca 0.09 1.89 0.07 0.00 0.00 0.00 0.00 51.96 54.01 2f3x s ALA 154 Cb 0.16 -0.67 -0.02 0.00 0.00 0.00 0.00 23.12 22.59 2f3x s ALA 154 CO 0.85 -0.47 -0.23 0.14 0.00 0.00 0.00 175.76 176.05 2f3x s VAL 155 N -1.80 1.84 -0.19 0.00 -7.23 -1.26 0.18 120.40 111.94 2f3x s VAL 155 Ca 0.11 -0.99 -0.03 0.00 -1.81 0.00 0.00 61.98 59.26 2f3x s VAL 155 Cb -0.01 -1.53 -0.01 0.00 0.56 0.00 0.00 36.38 35.39 2f3x s VAL 155 CO -0.04 0.52 -0.06 -1.61 -0.31 0.00 0.00 175.10 173.60 2f3x s GLU 156 N -0.51 3.45 0.11 4.82 2.02 0.59 -4.96 118.70 124.22 2f3x s GLU 156 Ca 0.08 -0.61 -0.19 0.00 0.02 0.00 0.00 54.97 54.27 2f3x s GLU 156 Cb -0.09 -2.91 -0.06 0.00 0.10 0.00 0.00 34.13 31.17 2f3x s GLU 156 CO -0.01 -0.01 1.70 1.57 0.02 0.00 0.00 175.26 178.54 2f3x h LYS 157 N 7.48 0.35 -6.68 1.61 5.09 -1.96 -2.62 116.57 119.85 2f3x h LYS 157 Ca -0.35 -0.05 -0.52 0.00 0.09 0.00 0.00 60.65 59.82 2f3x h LYS 157 Cb 1.18 -0.07 0.01 0.00 0.10 0.00 0.00 32.23 33.46 2f3x h LYS 157 CO 0.60 0.34 0.53 -1.83 -2.09 0.00 0.00 179.45 176.99 2f3x s GLU 158 N -5.78 4.53 -1.40 0.07 -1.05 -1.26 -2.70 118.70 111.11 2f3x s GLU 158 Ca -0.13 1.82 -0.16 0.00 -0.15 0.00 0.00 54.97 56.35 2f3x s GLU 158 Cb 0.08 -3.25 0.16 0.00 -0.44 0.00 0.00 34.13 30.69 2f3x s GLU 158 CO 0.71 -0.01 0.40 0.36 0.95 0.00 0.00 175.26 177.67 2f3x n LYS 159 N 2.34 -0.80 -3.06 -4.83 2.85 -1.26 -4.15 118.16 109.25 2f3x n LYS 159 Ca 0.03 0.10 0.00 0.00 -1.05 0.00 0.00 58.31 57.39 2f3x n LYS 159 Cb 0.45 -3.47 0.00 0.00 -0.65 0.00 0.00 35.03 31.36 2f3x n LYS 159 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2f3x n GLY 160 N -1.07 0.00 3.87 2.58 0.00 -1.01 -4.91 105.19 104.65 2f3x n GLY 160 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 2f3x n GLY 160 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2f3x s ARG 161 N -3.94 3.81 -0.15 1.61 1.81 -1.10 -4.80 118.95 116.20 2f3x s ARG 161 Ca 0.00 0.30 -0.17 0.00 -1.72 0.00 0.00 55.73 54.14 2f3x s ARG 161 Cb 0.00 -2.61 -0.04 0.00 -0.45 0.00 0.00 34.95 31.85 2f3x s ARG 161 CO 0.00 0.28 0.45 0.99 -0.68 0.00 0.00 175.30 176.34 2f3x s THR 162 N -1.88 5.19 -0.35 0.02 2.01 -0.57 -0.30 115.64 119.76 2f3x s THR 162 Ca 0.48 0.88 -0.17 0.00 0.31 0.00 0.00 61.69 63.18 2f3x s THR 162 Cb -0.11 -3.79 -0.01 0.00 0.01 0.00 0.00 72.50 68.61 2f3x s THR 162 CO 0.22 0.30 0.48 -0.69 -0.69 0.00 0.00 174.62 174.24 2f3x s VAL 163 N 0.85 5.05 -0.25 3.82 1.01 0.13 -0.51 120.40 130.51 2f3x s VAL 163 Ca 0.24 0.29 -0.07 0.00 0.00 0.00 0.00 61.98 62.43 2f3x s VAL 163 Cb -0.15 -3.93 -0.02 0.00 0.00 0.00 0.00 36.38 32.28 2f3x s VAL 163 CO 0.09 -0.18 0.06 -0.69 0.00 0.00 0.00 175.10 174.38 2f3x s VAL 164 N 2.31 4.22 0.20 2.92 1.01 -0.25 -0.73 120.40 130.07 2f3x s VAL 164 Ca 0.17 -0.23 -0.17 0.00 0.00 0.00 0.00 61.98 61.75 2f3x s VAL 164 Cb -0.16 -2.98 -0.08 0.00 0.00 0.00 0.00 36.38 33.17 2f3x s VAL 164 CO 0.13 0.33 0.66 -1.61 0.00 0.00 0.00 175.10 174.61 2f3x s GLU 165 N 1.60 4.13 -0.02 2.72 2.02 -0.62 -1.06 118.70 127.47 2f3x s GLU 165 Ca 0.06 0.71 0.01 0.00 0.02 0.00 0.00 54.97 55.77 2f3x s GLU 165 Cb -0.15 -2.87 0.02 0.00 0.10 0.00 0.00 34.13 31.23 2f3x s GLU 165 CO 0.03 0.41 -0.01 0.08 0.02 0.00 0.00 175.26 175.79 2f3x s VAL 166 N -1.54 0.23 -0.01 2.63 1.01 -0.06 -1.03 120.40 121.62 2f3x s VAL 166 Ca 0.42 0.01 0.04 0.00 0.00 0.00 0.00 61.98 62.44 2f3x s VAL 166 Cb -0.16 -0.28 -0.01 0.00 0.00 0.00 0.00 36.38 35.94 2f3x s VAL 166 CO 0.20 0.13 -0.12 0.20 0.00 0.00 0.00 175.10 175.51 2f3x s ASN 167 N 0.72 1.42 -0.06 3.32 -0.87 -0.07 -1.18 114.94 118.21 2f3x s ASN 167 Ca -0.07 -0.22 0.05 0.00 -1.57 0.00 0.00 52.86 51.04 2f3x s ASN 167 Cb -0.11 -0.21 -0.02 0.00 -0.02 0.00 0.00 41.25 40.90 2f3x s ASN 167 CO -0.01 0.13 -0.20 -0.44 -2.57 0.00 0.00 177.10 174.01 2f3x s SER 168 N -0.19 3.49 0.14 -1.22 0.01 0.48 0.12 113.70 116.54 2f3x s SER 168 Ca 0.03 -0.38 0.10 0.00 1.31 0.00 0.00 55.95 57.01 2f3x s SER 168 Cb -0.06 -0.87 -0.04 0.00 0.21 0.00 0.00 66.02 65.27 2f3x s SER 168 CO -0.00 0.28 -0.25 -0.31 0.41 0.00 0.00 173.24 173.37 2f3x s TYR 169 N -0.34 2.19 -0.21 2.43 1.51 0.48 -0.08 117.35 123.33 2f3x s TYR 169 Ca 0.02 -0.39 0.01 0.00 -1.01 0.00 0.00 57.07 55.71 2f3x s TYR 169 Cb -0.12 -1.15 0.05 0.00 -0.11 0.00 0.00 41.96 40.62 2f3x s TYR 169 CO 0.02 0.36 -0.10 0.08 -1.11 0.00 0.00 175.55 174.80 2f3x s VAL 170 N -1.31 1.72 0.00 0.71 1.01 -0.85 -0.82 120.40 120.86 2f3x s VAL 170 Ca 0.15 -1.15 0.00 0.00 0.00 0.00 0.00 61.98 60.98 2f3x s VAL 170 Cb -0.09 -1.83 0.00 0.00 0.00 0.00 0.00 36.38 34.46 2f3x s VAL 170 CO 0.07 0.10 0.00 0.61 0.00 0.00 0.00 175.10 175.88 2f3x n GLY 171 N 4.64 1.03 1.82 4.51 0.00 -1.26 -2.58 105.19 113.35 2f3x n GLY 171 Ca -0.14 -0.77 -0.16 0.00 0.00 0.00 0.00 46.02 44.94 2f3x n GLY 171 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2f3x n GLU 172 N 9.71 2.09 -5.20 1.61 4.07 -1.26 -4.96 120.64 126.70 2f3x n GLU 172 Ca 0.00 -3.08 -0.32 0.00 -0.06 0.00 0.00 57.16 53.70 2f3x n GLU 172 Cb 0.00 -2.04 -0.16 0.00 -0.06 0.00 0.00 31.44 29.18 2f3x n GLU 172 CO 0.00 0.00 0.00 -1.83 -0.06 0.00 0.00 177.13 175.24 2f3x s GLU 173 N -3.28 2.57 0.01 5.31 -1.05 -1.07 -5.06 118.70 116.12 2f3x s GLU 173 Ca 0.52 -0.87 -0.30 0.00 -0.15 0.00 0.00 54.97 54.17 2f3x s GLU 173 Cb 0.45 -2.20 -0.06 0.00 -0.44 0.00 0.00 34.13 31.88 2f3x s GLU 173 CO 0.07 0.41 1.42 0.42 0.95 0.00 0.00 175.26 178.52 2f3x s ILE 174 N -0.22 3.63 -0.05 1.83 1.01 -1.26 -2.01 121.20 124.12 2f3x s ILE 174 Ca -0.01 1.04 0.15 0.00 0.00 0.00 0.00 60.65 61.83 2f3x s ILE 174 Cb -0.13 -3.67 -0.24 0.00 0.01 0.00 0.00 42.46 38.44 2f3x s ILE 174 CO 0.03 0.00 0.35 1.33 0.00 0.00 0.00 174.94 176.66 2f3x n VAL 175 N 4.61 0.00 -3.69 2.92 0.24 0.89 -4.19 118.33 119.11 2f3x n VAL 175 Ca 0.13 -0.34 -0.12 0.00 -2.04 0.00 0.00 64.34 61.97 2f3x n VAL 175 Cb 0.43 0.19 -0.09 0.00 -1.47 0.00 0.00 33.84 32.90 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 -3.04 -0.62 0.04 6.34 5.36 -1.10 -1.59 117.98 123.37 2f3x s PHE 176 Ca -0.05 1.44 -0.00 0.00 -0.96 0.00 0.00 56.93 57.35 2f3x s PHE 176 Cb 0.10 0.25 -0.03 0.00 -0.34 0.00 0.00 43.02 42.99 2f3x s PHE 176 CO 0.64 -0.31 -0.03 -1.54 -1.46 0.00 0.00 175.22 172.52 2f3x s SER 177 N 0.58 0.43 -0.13 6.13 1.04 -0.21 -0.39 113.70 121.16 2f3x s SER 177 Ca -0.02 -0.78 -0.28 0.00 0.48 0.00 0.00 55.95 55.35 2f3x s SER 177 Cb -0.05 0.15 0.07 0.00 0.10 0.00 0.00 66.02 66.29 2f3x s SER 177 CO -0.03 -0.45 0.68 -0.83 0.98 0.00 0.00 173.24 173.58 2f3x s GLY 178 N -2.27 -0.55 -0.22 7.32 0.00 -0.33 -0.57 107.32 110.71 2f3x s GLY 178 Ca -0.03 1.53 -0.01 0.00 0.00 0.00 0.00 44.72 46.21 2f3x s GLY 178 CO -0.06 1.21 -0.11 -1.60 0.00 0.00 0.00 173.10 172.54 2f3x s ARG 179 N -0.64 3.01 -0.16 2.90 3.52 0.18 -0.88 118.95 126.89 2f3x s ARG 179 Ca -0.07 -0.85 -0.02 0.00 -0.13 0.00 0.00 55.73 54.66 2f3x s ARG 179 Cb -0.02 -2.84 -0.02 0.00 -1.56 0.00 0.00 34.95 30.51 2f3x s ARG 179 CO 0.07 -0.29 -0.08 -0.06 -0.81 0.00 0.00 175.30 174.13 2f3x s PHE 180 N 1.34 2.91 -0.38 5.12 0.40 -0.22 -1.45 117.98 125.70 2f3x s PHE 180 Ca 0.03 -0.59 -0.17 0.00 -0.60 0.00 0.00 56.93 55.60 2f3x s PHE 180 Cb -0.15 -1.94 0.01 0.00 0.51 0.00 0.00 43.02 41.45 2f3x s PHE 180 CO -0.07 -0.22 0.44 -0.51 0.70 0.00 0.00 175.22 175.55 2f3x s ASP 181 N 0.58 6.22 -0.00 1.36 1.11 0.11 -1.10 116.67 124.96 2f3x s ASP 181 Ca -0.05 -0.39 -0.04 0.00 0.18 0.00 0.00 52.55 52.25 2f3x s ASP 181 Cb -0.15 -2.23 -0.04 0.00 1.07 0.00 0.00 42.92 41.57 2f3x s ASP 181 CO 0.03 -0.49 0.22 -0.04 1.18 0.00 0.00 175.17 176.06 2f3x s MET 182 N 2.18 3.49 0.18 8.23 -1.94 0.34 -1.30 119.30 130.47 2f3x s MET 182 Ca 0.14 -0.23 0.05 0.00 -1.71 0.00 0.00 55.69 53.94 2f3x s MET 182 Cb -0.16 -3.09 -0.04 0.00 2.01 0.00 0.00 34.83 33.55 2f3x s MET 182 CO 0.13 0.66 0.18 -0.47 -0.01 0.00 0.00 175.02 175.51 2f3x s TYR 183 N -1.32 3.20 0.00 -0.03 5.04 0.14 -1.51 117.35 122.86 2f3x s TYR 183 Ca 0.27 -0.01 0.00 0.00 -2.44 0.00 0.00 57.07 54.89 2f3x s TYR 183 Cb -0.13 -1.52 0.00 0.00 0.35 0.00 0.00 41.96 40.67 2f3x s TYR 183 CO 0.18 0.52 0.00 2.89 -1.34 0.00 0.00 175.55 177.79 2f3x n ARG 184 N -0.55 0.00 0.00 4.97 1.85 -1.26 -1.41 116.66 120.25 2f3x n ARG 184 Ca -0.08 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.77 2f3x n ARG 184 Cb 0.55 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.96 2f3x n ARG 184 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 2f3x n SER 185 N -0.14 0.00 0.00 2.89 3.41 -1.26 -4.64 113.62 113.88 2f3x n SER 185 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2f3x n SER 185 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2f3x n SER 185 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17