#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dxt n VAL 2 N 0.00 0.00 -1.79 1.12 0.31 -1.26 -5.01 118.33 111.70 1dxt n VAL 2 Ca 0.00 -0.23 -0.43 0.00 -0.01 0.00 0.00 64.34 63.67 1dxt n VAL 2 Cb 0.00 -0.59 -0.03 0.00 -0.91 0.00 0.00 33.84 32.31 1dxt n VAL 2 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 1dxt s HIS 3 N -0.05 1.49 -0.32 3.52 3.76 -1.26 -4.99 115.29 117.45 1dxt s HIS 3 Ca 0.04 0.20 -0.10 0.00 -0.15 0.00 0.00 55.06 55.05 1dxt s HIS 3 Cb -0.00 -4.05 -0.01 0.00 1.11 0.00 0.00 32.58 29.63 1dxt s HIS 3 CO 0.03 -4.24 0.17 -0.51 -0.85 0.00 0.00 174.74 169.34 1dxt s LEU 4 N 6.07 4.22 0.43 0.89 2.01 -1.26 -5.07 118.68 125.96 1dxt s LEU 4 Ca 0.87 -0.54 -0.22 0.00 0.01 0.00 0.00 54.13 54.26 1dxt s LEU 4 Cb -0.34 -2.03 -0.10 0.00 0.01 0.00 0.00 46.19 43.74 1dxt s LEU 4 CO 0.35 -0.21 0.98 0.42 1.01 0.00 0.00 176.35 178.90 1dxt s THR 5 N 1.63 4.17 0.66 5.49 -4.23 -1.26 -4.77 115.64 117.33 1dxt s THR 5 Ca 0.05 1.42 0.19 0.00 -1.18 0.00 0.00 61.69 62.17 1dxt s THR 5 Cb -0.17 -3.61 0.19 0.00 1.34 0.00 0.00 72.50 70.25 1dxt s THR 5 CO 0.07 -0.23 1.59 1.55 -0.54 0.00 0.00 174.62 177.06 1dxt h PRO 6 N 2.01 0.00 0.19 3.99 0.13 -1.98 0.87 132.00 137.20 1dxt h PRO 6 Ca -0.49 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.30 1dxt h PRO 6 Cb 1.19 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.34 1dxt h PRO 6 CO 0.61 0.00 -1.69 0.93 -0.23 0.00 0.00 178.00 177.62 1dxt h GLU 7 N 0.00 0.40 0.00 0.86 4.39 -1.98 -2.04 114.58 116.21 1dxt h GLU 7 Ca 0.00 -0.69 -0.10 0.00 0.34 0.00 0.00 59.36 58.91 1dxt h GLU 7 Cb 1.14 0.26 -0.01 0.00 -0.10 0.00 0.00 28.75 30.03 1dxt h GLU 7 CO 0.00 1.32 -0.47 0.93 -1.16 0.00 0.00 179.01 179.62 1dxt h GLU 8 N 0.11 0.00 0.05 2.33 5.08 0.06 -1.06 114.58 121.15 1dxt h GLU 8 Ca -0.32 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.04 1dxt h GLU 8 Cb 2.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.35 1dxt h GLU 8 CO 0.19 0.47 -0.02 0.87 -1.00 0.00 0.00 179.01 179.52 1dxt h LYS 9 N 0.00 -0.07 -0.96 2.33 1.57 0.16 -3.07 116.57 116.54 1dxt h LYS 9 Ca -0.00 0.00 0.15 0.00 -1.87 0.00 0.00 60.65 58.93 1dxt h LYS 9 Cb 1.06 0.01 -0.08 0.00 0.08 0.00 0.00 32.23 33.30 1dxt h LYS 9 CO 0.06 0.56 0.60 0.77 -0.57 0.00 0.00 179.45 180.87 1dxt h SER 10 N -0.83 0.77 0.67 0.86 0.02 -1.31 0.10 113.55 113.84 1dxt h SER 10 Ca -0.01 0.05 -0.05 0.00 -0.84 0.00 0.00 61.79 60.94 1dxt h SER 10 Cb 0.65 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.09 1dxt h SER 10 CO 0.01 0.37 -0.26 0.00 -1.14 0.00 0.00 176.83 175.82 1dxt h ALA 11 N 1.59 1.13 0.01 3.77 0.00 -1.26 -1.34 119.26 123.17 1dxt h ALA 11 Ca 0.49 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 1dxt h ALA 11 Cb 0.69 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1dxt h ALA 11 CO -0.26 0.32 -0.01 0.28 0.00 0.00 0.00 179.25 179.59 1dxt h VAL 12 N 0.00 1.47 -0.60 0.00 2.07 -0.74 -3.19 116.25 115.26 1dxt h VAL 12 Ca -0.00 -1.95 0.01 0.00 0.82 0.00 0.00 66.70 65.59 1dxt h VAL 12 Cb 0.66 2.71 -0.03 0.00 -1.52 0.00 0.00 31.29 33.11 1dxt h VAL 12 CO 0.03 0.47 0.39 0.74 0.02 0.00 0.00 177.57 179.22 1dxt h THR 13 N -0.92 1.13 0.28 2.57 2.02 -1.18 -2.09 112.91 114.72 1dxt h THR 13 Ca -0.00 -0.27 -0.01 0.00 0.77 0.00 0.00 66.41 66.90 1dxt h THR 13 Cb 0.79 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 67.46 1dxt h THR 13 CO 0.00 0.14 -0.19 0.00 0.37 0.00 0.00 175.52 175.85 1dxt h ALA 14 N 1.23 -0.44 -0.50 6.16 0.00 -1.38 -2.00 119.26 122.33 1dxt h ALA 14 Ca 0.23 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 1dxt h ALA 14 Cb -0.05 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1dxt h ALA 14 CO -0.07 -0.76 0.01 1.25 0.00 0.00 0.00 179.25 179.68 1dxt h LEU 15 N -0.46 0.79 -1.57 0.00 6.46 -1.53 -2.95 115.31 116.06 1dxt h LEU 15 Ca -0.02 -0.19 -0.02 0.00 -0.12 0.00 0.00 57.88 57.53 1dxt h LEU 15 Cb 0.39 -0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 40.10 1dxt h LEU 15 CO 0.01 0.85 0.07 -0.25 -0.62 0.00 0.00 178.44 178.50 1dxt h TRP 16 N 0.77 0.34 0.00 1.25 2.91 -1.12 -1.00 115.95 119.11 1dxt h TRP 16 Ca 0.15 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.16 1dxt h TRP 16 Cb 0.45 -0.11 0.00 0.00 -0.51 0.00 0.00 29.16 28.99 1dxt h TRP 16 CO 0.02 0.31 0.00 0.78 -1.03 0.00 0.00 178.44 178.52 1dxt h GLY 17 N 0.54 0.00 -1.15 2.65 0.00 -1.18 -1.37 103.07 102.56 1dxt h GLY 17 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.42 1dxt h GLY 17 CO -0.00 0.00 -0.23 0.28 0.00 0.00 0.00 176.54 176.59 1dxt n LYS 18 N -2.65 1.63 -2.86 4.80 5.02 -0.38 -4.96 118.16 118.75 1dxt n LYS 18 Ca -0.01 -1.28 -0.40 0.00 -2.02 0.00 0.00 58.31 54.59 1dxt n LYS 18 Cb 0.10 -1.47 -0.06 0.00 -0.02 0.00 0.00 35.03 33.58 1dxt n LYS 18 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1dxt s VAL 19 N -2.26 4.37 -0.58 -0.18 1.01 -0.52 -5.00 120.40 117.24 1dxt s VAL 19 Ca 0.25 1.88 -0.20 0.00 0.00 0.00 0.00 61.98 63.91 1dxt s VAL 19 Cb 0.19 -4.23 0.08 0.00 0.00 0.00 0.00 36.38 32.42 1dxt s VAL 19 CO 0.44 0.45 0.74 0.21 0.00 0.00 0.00 175.10 176.94 1dxt s ASN 20 N -0.74 6.20 0.22 3.32 3.84 -1.26 -4.92 114.94 121.60 1dxt s ASN 20 Ca 0.40 -1.14 -0.08 0.00 0.21 0.00 0.00 52.86 52.25 1dxt s ASN 20 Cb -0.24 -2.33 0.27 0.00 -0.55 0.00 0.00 41.25 38.41 1dxt s ASN 20 CO 0.28 -1.12 1.83 0.58 -2.79 0.00 0.00 177.10 175.88 1dxt h VAL 21 N 5.92 1.01 -0.30 -5.21 2.07 -1.94 0.87 116.25 118.66 1dxt h VAL 21 Ca -0.29 -0.28 -0.04 0.00 0.82 0.00 0.00 66.70 66.92 1dxt h VAL 21 Cb 1.09 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1dxt h VAL 21 CO 1.08 0.15 0.04 0.44 0.02 0.00 0.00 177.57 179.30 1dxt h ASP 22 N 0.82 0.49 0.01 0.57 3.32 -1.91 0.81 116.42 120.52 1dxt h ASP 22 Ca 0.33 -0.26 -0.00 0.00 0.02 0.00 0.00 57.03 57.11 1dxt h ASP 22 Cb 0.16 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.58 1dxt h ASP 22 CO -0.17 0.63 -0.00 -0.08 -1.72 0.00 0.00 179.24 177.89 1dxt h GLU 23 N 0.33 -0.01 -0.25 3.56 4.81 -1.86 -2.09 114.58 119.06 1dxt h GLU 23 Ca 0.09 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.27 1dxt h GLU 23 Cb 0.35 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 1dxt h GLU 23 CO 0.01 0.25 -0.07 0.28 -0.73 0.00 0.00 179.01 178.75 1dxt h VAL 24 N -0.27 1.19 0.03 0.32 2.07 -0.84 -2.10 116.25 116.65 1dxt h VAL 24 Ca -0.00 -0.79 -0.00 0.00 0.82 0.00 0.00 66.70 66.73 1dxt h VAL 24 Cb 0.26 1.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 1dxt h VAL 24 CO 0.00 0.26 -0.01 1.23 0.02 0.00 0.00 177.57 179.07 1dxt h GLY 25 N 0.79 -0.04 0.99 2.17 0.00 -0.61 -0.09 103.07 106.28 1dxt h GLY 25 Ca 0.08 0.01 -0.00 0.00 0.00 0.00 0.00 47.33 47.42 1dxt h GLY 25 CO 0.02 -0.01 0.31 -1.33 0.00 0.00 0.00 176.54 175.52 1dxt h GLY 26 N -0.13 0.72 0.90 4.60 0.00 -1.26 -1.84 103.07 106.06 1dxt h GLY 26 Ca -0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 47.33 47.03 1dxt h GLY 26 CO 0.01 0.28 0.09 0.83 0.00 0.00 0.00 176.54 177.74 1dxt h GLU 27 N 0.67 0.30 -0.41 4.80 4.39 -1.23 -0.36 114.58 122.74 1dxt h GLU 27 Ca 0.18 -0.05 -0.09 0.00 0.34 0.00 0.00 59.36 59.74 1dxt h GLU 27 Cb -0.03 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.55 1dxt h GLU 27 CO -0.04 0.35 -0.08 0.00 -1.16 0.00 0.00 179.01 178.08 1dxt h ALA 28 N 0.94 0.57 -0.39 3.43 0.00 -0.95 0.39 119.26 123.24 1dxt h ALA 28 Ca 0.07 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.59 1dxt h ALA 28 Cb 0.16 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1dxt h ALA 28 CO -0.01 0.43 -0.08 1.25 0.00 0.00 0.00 179.25 180.84 1dxt h LEU 29 N 0.60 0.74 -0.29 0.00 5.85 -1.31 -0.85 115.31 120.04 1dxt h LEU 29 Ca 0.11 -0.35 -0.01 0.00 0.84 0.00 0.00 57.88 58.47 1dxt h LEU 29 Cb 0.60 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 1dxt h LEU 29 CO 0.04 0.92 0.16 1.23 -0.34 0.00 0.00 178.44 180.45 1dxt h GLY 30 N 0.54 0.44 1.73 3.75 0.00 -0.98 -2.24 103.07 106.31 1dxt h GLY 30 Ca 0.10 -0.20 -0.05 0.00 0.00 0.00 0.00 47.33 47.18 1dxt h GLY 30 CO 0.03 0.19 -0.07 3.21 0.00 0.00 0.00 176.54 179.91 1dxt h ARG 31 N 0.36 0.34 -0.43 4.80 3.08 -0.83 -1.41 114.38 120.29 1dxt h ARG 31 Ca 0.10 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 1dxt h ARG 31 Cb 0.06 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 1dxt h ARG 31 CO -0.02 0.42 0.24 1.25 -1.07 0.00 0.00 179.97 180.80 1dxt h LEU 32 N 0.32 0.53 -1.28 3.04 5.85 -0.77 0.71 115.31 123.71 1dxt h LEU 32 Ca 0.07 -0.08 -0.07 0.00 0.84 0.00 0.00 57.88 58.63 1dxt h LEU 32 Cb 0.33 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 1dxt h LEU 32 CO 0.02 0.46 -0.35 -0.07 -0.34 0.00 0.00 178.44 178.15 1dxt h LEU 33 N 0.56 0.00 0.04 2.25 4.07 -0.87 -1.03 115.31 120.33 1dxt h LEU 33 Ca 0.15 0.00 -0.13 0.00 0.08 0.00 0.00 57.88 57.99 1dxt h LEU 33 Cb 0.04 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.78 1dxt h LEU 33 CO -0.03 0.35 -0.64 0.58 -1.08 0.00 0.00 178.44 177.63 1dxt h VAL 34 N 0.00 1.43 -0.11 1.22 2.07 -0.96 -3.29 116.25 116.61 1dxt h VAL 34 Ca -0.00 -2.35 -0.20 0.00 0.82 0.00 0.00 66.70 64.97 1dxt h VAL 34 Cb 0.66 3.00 0.00 0.00 -1.52 0.00 0.00 31.29 33.43 1dxt h VAL 34 CO 0.05 0.58 -0.74 0.58 0.02 0.00 0.00 177.57 178.06 1dxt h VAL 35 N -0.79 1.34 -2.65 2.57 2.07 -0.88 -3.37 116.25 114.54 1dxt h VAL 35 Ca -0.15 -2.06 -0.60 0.00 0.82 0.00 0.00 66.70 64.71 1dxt h VAL 35 Cb 1.29 2.04 -0.40 0.00 -1.52 0.00 0.00 31.29 32.70 1dxt h VAL 35 CO -0.01 0.63 -0.76 -1.22 0.02 0.00 0.00 177.57 176.23 1dxt n TYR 36 N -3.88 1.57 0.27 1.57 4.01 -0.39 -4.98 117.16 115.33 1dxt n TYR 36 Ca -0.05 -3.89 0.18 0.00 -0.16 0.00 0.00 57.90 53.97 1dxt n TYR 36 Cb 0.71 -0.29 0.94 0.00 -0.31 0.00 0.00 39.34 40.39 1dxt n TYR 36 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1dxt h PRO 37 N 5.22 0.00 0.00 -0.72 0.13 -1.74 -0.85 132.00 134.04 1dxt h PRO 37 Ca 0.19 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.30 1dxt h PRO 37 Cb 0.81 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.93 1dxt h PRO 37 CO 0.59 0.00 -0.09 0.11 -0.23 0.00 0.00 178.00 178.38 1dxt h TRP 38 N 0.00 0.00 0.00 1.56 0.09 -1.91 -0.30 115.95 115.39 1dxt h TRP 38 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 1dxt h TRP 38 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.34 1dxt h TRP 38 CO 0.00 0.09 0.00 0.25 0.09 0.00 0.00 178.44 178.87 1dxt n THR 39 N -3.43 0.96 0.39 0.12 -2.24 -0.33 -2.05 114.28 107.70 1dxt n THR 39 Ca -0.01 0.30 0.10 0.00 -2.27 0.00 0.00 64.05 62.16 1dxt n THR 39 Cb 0.24 -1.20 0.41 0.00 -2.10 0.00 0.00 70.33 67.69 1dxt n THR 39 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1dxt n GLN 40 N -2.01 0.12 0.04 -0.78 6.02 -0.12 -3.55 117.38 117.10 1dxt n GLN 40 Ca 0.02 0.39 0.21 0.00 -0.01 0.00 0.00 57.00 57.62 1dxt n GLN 40 Cb 0.18 -1.74 0.73 0.00 1.02 0.00 0.00 30.24 30.44 1dxt n GLN 40 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 1dxt h ARG 41 N 0.00 0.00 0.00 -1.09 0.11 -1.61 -0.97 114.38 110.82 1dxt h ARG 41 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1dxt h ARG 41 Cb 0.28 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.36 1dxt h ARG 41 CO 0.00 0.00 -0.61 1.19 0.10 0.00 0.00 179.97 180.65 1dxt n PHE 42 N -3.90 0.48 -1.28 4.08 3.72 -1.23 -4.38 117.46 114.94 1dxt n PHE 42 Ca 0.09 0.14 -0.01 0.00 -0.05 0.00 0.00 57.45 57.62 1dxt n PHE 42 Cb 0.67 -0.60 0.22 0.00 -0.94 0.00 0.00 39.48 38.82 1dxt n PHE 42 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1dxt n PHE 43 N -2.03 1.15 0.30 1.38 3.72 -0.37 -4.71 117.46 116.90 1dxt n PHE 43 Ca 0.04 -1.37 0.18 0.00 -0.05 0.00 0.00 57.45 56.24 1dxt n PHE 43 Cb 0.43 -0.46 0.90 0.00 -0.94 0.00 0.00 39.48 39.41 1dxt n PHE 43 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 176.76 177.76 1dxt h GLU 44 N 1.25 0.00 0.00 -1.08 4.11 -1.76 -1.53 114.58 115.57 1dxt h GLU 44 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.60 1dxt h GLU 44 Cb 1.66 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.91 1dxt h GLU 44 CO 0.37 0.04 0.00 -1.13 0.07 0.00 0.00 179.01 178.37 1dxt n SER 45 N -3.32 0.00 -0.13 3.06 3.41 -1.26 -3.20 113.62 112.18 1dxt n SER 45 Ca -0.02 -0.18 0.15 0.00 -0.26 0.00 0.00 58.87 58.56 1dxt n SER 45 Cb 0.19 -0.24 0.69 0.00 -0.26 0.00 0.00 64.21 64.58 1dxt n SER 45 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1dxt n PHE 46 N -1.24 0.00 -0.90 7.33 3.01 -0.57 -5.02 117.46 120.06 1dxt n PHE 46 Ca 0.13 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.59 1dxt n PHE 46 Cb 0.18 -0.13 0.00 0.00 -0.01 0.00 0.00 39.48 39.53 1dxt n PHE 46 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1dxt n GLY 47 N 1.20 0.80 3.61 1.37 0.00 -1.19 -4.75 105.19 106.23 1dxt n GLY 47 Ca 0.17 -1.30 -0.43 0.00 0.00 0.00 0.00 46.02 44.47 1dxt n GLY 47 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1dxt s ASP 48 N -4.00 6.44 -0.12 1.61 2.15 -1.26 -4.86 116.67 116.63 1dxt s ASP 48 Ca 0.00 1.08 0.15 0.00 0.43 0.00 0.00 52.55 54.21 1dxt s ASP 48 Cb 0.00 -2.54 0.32 0.00 -0.30 0.00 0.00 42.92 40.41 1dxt s ASP 48 CO 0.00 -1.30 1.16 0.18 -0.17 0.00 0.00 175.17 175.04 1dxt n LEU 49 N 8.43 1.92 0.04 -1.34 4.77 -1.26 -4.31 117.00 125.25 1dxt n LEU 49 Ca 0.16 -2.92 0.01 0.00 -0.03 0.00 0.00 56.01 53.23 1dxt n LEU 49 Cb 0.47 -0.33 0.34 0.00 -2.33 0.00 0.00 43.42 41.57 1dxt n LEU 49 CO 0.67 0.88 0.93 0.77 -1.33 0.00 0.00 177.39 179.31 1dxt h SER 50 N 0.55 0.39 -5.53 -1.43 4.64 -1.92 -3.44 113.55 106.82 1dxt h SER 50 Ca -0.04 -0.07 -0.22 0.00 -0.47 0.00 0.00 61.79 60.99 1dxt h SER 50 Cb 1.21 -0.10 -0.15 0.00 -0.31 0.00 0.00 62.40 63.05 1dxt h SER 50 CO 0.02 0.48 -0.61 0.42 -0.87 0.00 0.00 176.83 176.26 1dxt s THR 51 N -4.92 0.03 0.21 2.95 -4.23 -1.26 -5.02 115.64 103.40 1dxt s THR 51 Ca -0.07 -1.96 -0.10 0.00 -1.18 0.00 0.00 61.69 58.39 1dxt s THR 51 Cb 0.16 -2.36 0.14 0.00 1.34 0.00 0.00 72.50 71.77 1dxt s THR 51 CO 0.75 -0.13 1.79 -0.65 -0.54 0.00 0.00 174.62 175.84 1dxt h PRO 52 N 2.68 0.59 -0.47 3.99 0.11 -1.98 0.15 132.00 137.06 1dxt h PRO 52 Ca -0.35 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.71 1dxt h PRO 52 Cb 1.24 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 1dxt h PRO 52 CO 0.54 0.39 0.27 -0.44 -0.21 0.00 0.00 178.00 178.55 1dxt h ASP 53 N 0.61 0.58 -0.67 -2.05 3.32 -1.98 0.14 116.42 116.36 1dxt h ASP 53 Ca 0.29 -0.08 -0.08 0.00 0.02 0.00 0.00 57.03 57.19 1dxt h ASP 53 Cb 0.23 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.60 1dxt h ASP 53 CO -0.20 0.48 0.10 0.00 -1.72 0.00 0.00 179.24 177.90 1dxt h ALA 54 N 1.11 0.91 0.24 3.45 0.00 -1.67 -1.45 119.26 121.86 1dxt h ALA 54 Ca 0.17 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1dxt h ALA 54 Cb 0.03 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.57 1dxt h ALA 54 CO -0.03 0.67 -0.11 0.28 0.00 0.00 0.00 179.25 180.06 1dxt h VAL 55 N 1.04 0.83 0.00 0.00 2.07 -0.28 -1.92 116.25 117.99 1dxt h VAL 55 Ca 0.20 -0.46 -0.02 0.00 0.82 0.00 0.00 66.70 67.25 1dxt h VAL 55 Cb 0.45 1.09 -0.00 0.00 -1.52 0.00 0.00 31.29 31.30 1dxt h VAL 55 CO 0.01 0.10 -0.09 0.24 0.02 0.00 0.00 177.57 177.85 1dxt h MET 56 N -0.55 0.00 -0.02 1.57 2.07 -0.63 -2.74 114.93 114.63 1dxt h MET 56 Ca -0.03 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.60 1dxt h MET 56 Cb 0.41 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.14 1dxt h MET 56 CO 0.05 0.09 -0.28 0.41 1.07 0.00 0.00 176.91 178.25 1dxt n GLY 57 N -1.11 0.21 3.66 8.32 0.00 -0.55 -4.90 105.19 110.82 1dxt n GLY 57 Ca -0.03 -0.61 -0.42 0.00 0.00 0.00 0.00 46.02 44.96 1dxt n GLY 57 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1dxt s ASN 58 N -2.32 6.77 0.46 1.61 3.84 -0.73 -4.90 114.94 119.68 1dxt s ASN 58 Ca 0.23 2.06 0.16 0.00 0.21 0.00 0.00 52.86 55.52 1dxt s ASN 58 Cb 0.19 -2.54 1.06 0.00 -0.55 0.00 0.00 41.25 39.41 1dxt s ASN 58 CO 0.47 -0.85 2.01 1.55 -2.79 0.00 0.00 177.10 177.49 1dxt h PRO 59 N 8.91 0.00 -0.19 0.43 0.13 -1.90 -1.70 132.00 137.68 1dxt h PRO 59 Ca -0.35 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.60 1dxt h PRO 59 Cb 1.16 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 1dxt h PRO 59 CO 0.95 0.17 -0.61 0.87 -0.23 0.00 0.00 178.00 179.15 1dxt h LYS 60 N 0.00 0.65 0.05 0.86 6.56 -1.90 -0.93 116.57 121.85 1dxt h LYS 60 Ca -0.00 -0.44 -0.00 0.00 -1.06 0.00 0.00 60.65 59.14 1dxt h LYS 60 Cb 0.31 0.06 0.00 0.00 -0.57 0.00 0.00 32.23 32.03 1dxt h LYS 60 CO 0.02 1.06 -0.02 0.28 -2.06 0.00 0.00 179.45 178.73 1dxt h VAL 61 N 0.48 1.03 -0.55 0.50 2.07 -1.77 0.53 116.25 118.54 1dxt h VAL 61 Ca -0.00 -0.23 0.05 0.00 0.82 0.00 0.00 66.70 67.34 1dxt h VAL 61 Cb 1.19 1.18 -0.05 0.00 -1.52 0.00 0.00 31.29 32.09 1dxt h VAL 61 CO 0.12 0.06 0.27 0.11 0.02 0.00 0.00 177.57 178.15 1dxt h LYS 62 N -0.16 0.51 -0.77 1.57 1.57 -1.25 0.51 116.57 118.54 1dxt h LYS 62 Ca -0.01 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.69 1dxt h LYS 62 Cb 0.14 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 1dxt h LYS 62 CO 0.01 0.34 0.26 0.00 -0.57 0.00 0.00 179.45 179.49 1dxt h ALA 63 N 1.30 1.00 -0.34 3.86 0.00 -0.95 -1.60 119.26 122.53 1dxt h ALA 63 Ca 0.25 -0.22 -0.16 0.00 0.00 0.00 0.00 54.91 54.77 1dxt h ALA 63 Cb 0.17 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1dxt h ALA 63 CO -0.18 0.67 -0.43 1.25 0.00 0.00 0.00 179.25 180.56 1dxt h HIS 64 N 1.14 1.06 -0.89 0.00 -0.00 -0.52 -2.76 115.15 113.18 1dxt h HIS 64 Ca 0.25 -0.33 0.06 0.00 -0.00 0.00 0.00 60.37 60.34 1dxt h HIS 64 Cb 0.28 -0.22 -0.06 0.00 -0.00 0.00 0.00 27.41 27.41 1dxt h HIS 64 CO 0.02 1.15 0.56 0.78 -0.00 0.00 0.00 177.93 180.44 1dxt h GLY 65 N 0.80 1.34 0.95 5.26 0.00 -0.61 -0.26 103.07 110.55 1dxt h GLY 65 Ca 0.05 -0.41 -0.02 0.00 0.00 0.00 0.00 47.33 46.94 1dxt h GLY 65 CO 0.10 0.30 0.16 1.70 0.00 0.00 0.00 176.54 178.80 1dxt h LYS 66 N 1.04 0.62 -0.09 4.80 3.64 -1.19 0.33 116.57 125.71 1dxt h LYS 66 Ca 0.38 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 59.64 1dxt h LYS 66 Cb 0.14 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 31.85 1dxt h LYS 66 CO -0.16 0.58 0.04 -0.22 -2.27 0.00 0.00 179.45 177.42 1dxt h LYS 67 N 0.52 0.14 0.10 1.90 3.64 -1.12 -0.60 116.57 121.15 1dxt h LYS 67 Ca 0.14 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 1dxt h LYS 67 Cb 0.20 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 1dxt h LYS 67 CO -0.01 0.25 -0.05 0.28 -2.27 0.00 0.00 179.45 177.65 1dxt h VAL 68 N -0.01 0.97 0.00 2.00 2.07 -0.98 -2.48 116.25 117.83 1dxt h VAL 68 Ca 0.03 -0.28 -0.03 0.00 0.82 0.00 0.00 66.70 67.24 1dxt h VAL 68 Cb 0.17 1.16 -0.00 0.00 -1.52 0.00 0.00 31.29 31.09 1dxt h VAL 68 CO -0.00 0.07 -0.13 -0.07 0.02 0.00 0.00 177.57 177.45 1dxt h LEU 69 N -0.27 0.00 -0.36 2.57 -0.00 -0.94 -1.68 115.31 114.63 1dxt h LEU 69 Ca -0.01 0.00 -0.12 0.00 -0.00 0.00 0.00 57.88 57.74 1dxt h LEU 69 Cb 0.22 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.87 1dxt h LEU 69 CO 0.02 0.13 -0.25 1.23 -0.00 0.00 0.00 178.44 179.58 1dxt h GLY 70 N 1.91 0.88 0.98 0.83 0.00 -0.93 -0.01 103.07 106.74 1dxt h GLY 70 Ca -0.00 -0.84 -0.06 0.00 0.00 0.00 0.00 47.33 46.43 1dxt h GLY 70 CO 0.02 0.76 0.07 0.00 0.00 0.00 0.00 176.54 177.39 1dxt h ALA 71 N 0.78 0.65 -0.29 3.60 0.00 -1.19 -1.12 119.26 121.69 1dxt h ALA 71 Ca 0.07 -0.24 0.05 0.00 0.00 0.00 0.00 54.91 54.79 1dxt h ALA 71 Cb 0.82 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.37 1dxt h ALA 71 CO 0.07 0.39 -0.02 0.35 0.00 0.00 0.00 179.25 180.04 1dxt h PHE 72 N 0.69 -0.06 -0.38 0.00 3.04 -1.16 -1.40 116.94 117.66 1dxt h PHE 72 Ca 0.15 0.02 0.06 0.00 3.98 0.00 0.00 57.97 62.18 1dxt h PHE 72 Cb 0.41 0.07 -0.06 0.00 2.56 0.00 0.00 35.95 38.94 1dxt h PHE 72 CO 0.03 -0.08 0.04 1.03 -2.02 0.00 0.00 178.31 177.31 1dxt h SER 73 N 0.05 -0.07 -0.18 0.41 0.87 -0.74 -0.85 113.55 113.04 1dxt h SER 73 Ca 0.14 0.08 -0.04 0.00 -1.23 0.00 0.00 61.79 60.73 1dxt h SER 73 Cb 0.19 0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.26 1dxt h SER 73 CO -0.26 -0.00 -0.01 0.44 -0.53 0.00 0.00 176.83 176.48 1dxt h ASP 74 N 0.15 0.41 0.27 6.23 3.32 -0.82 -2.17 116.42 123.81 1dxt h ASP 74 Ca 0.19 -0.07 -0.03 0.00 0.02 0.00 0.00 57.03 57.14 1dxt h ASP 74 Cb 0.24 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.68 1dxt h ASP 74 CO -0.28 0.48 -0.14 1.23 -1.72 0.00 0.00 179.24 178.81 1dxt h GLY 75 N 0.76 0.00 2.00 2.75 0.00 -0.06 -2.55 103.07 105.97 1dxt h GLY 75 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.42 1dxt h GLY 75 CO 0.01 0.00 0.00 1.41 0.00 0.00 0.00 176.54 177.96 1dxt h LEU 76 N 0.00 0.00 0.00 3.11 4.07 -0.99 -1.53 115.31 119.97 1dxt h LEU 76 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1dxt h LEU 76 Cb 0.32 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.06 1dxt h LEU 76 CO 0.02 0.00 -0.27 0.00 -1.08 0.00 0.00 178.44 177.11 1dxt n ALA 77 N -2.00 2.82 -2.25 1.53 0.00 -0.96 -4.04 120.51 115.60 1dxt n ALA 77 Ca -0.00 -0.20 -0.18 0.00 0.00 0.00 0.00 53.44 53.07 1dxt n ALA 77 Cb 0.21 -1.30 0.03 0.00 0.00 0.00 0.00 19.45 18.39 1dxt n ALA 77 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1dxt n HIS 78 N -1.72 2.36 0.00 0.00 8.25 -0.58 -4.88 115.22 118.65 1dxt n HIS 78 Ca 0.06 -2.23 0.21 0.00 -0.26 0.00 0.00 57.72 55.50 1dxt n HIS 78 Cb 0.37 -0.31 0.71 0.00 1.12 0.00 0.00 29.99 31.88 1dxt n HIS 78 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1dxt h LEU 79 N 2.31 0.00 -1.05 2.41 4.07 -1.68 0.14 115.31 121.52 1dxt h LEU 79 Ca 0.23 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 58.14 1dxt h LEU 79 Cb 1.45 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.18 1dxt h LEU 79 CO 0.61 0.00 -0.23 0.44 -1.08 0.00 0.00 178.44 178.17 1dxt h ASP 80 N 0.00 0.00 -1.74 -0.43 3.32 -1.90 -3.36 116.42 112.31 1dxt h ASP 80 Ca 0.25 0.00 -0.45 0.00 0.02 0.00 0.00 57.03 56.85 1dxt h ASP 80 Cb 1.05 0.00 -0.39 0.00 0.22 0.00 0.00 39.33 40.22 1dxt h ASP 80 CO -0.00 0.23 -1.16 -3.20 -1.72 0.00 0.00 179.24 173.39 1dxt n ASN 81 N -3.38 0.75 -0.18 6.45 5.15 0.49 -4.95 115.26 119.59 1dxt n ASN 81 Ca 0.00 -2.99 -0.09 0.00 -0.60 0.00 0.00 54.58 50.90 1dxt n ASN 81 Cb 0.44 -0.47 0.01 0.00 -0.53 0.00 0.00 39.78 39.23 1dxt n ASN 81 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1dxt h LEU 82 N 2.99 0.80 -0.58 1.20 3.38 -1.66 -2.14 115.31 119.30 1dxt h LEU 82 Ca 0.06 -0.24 0.03 0.00 0.09 0.00 0.00 57.88 57.82 1dxt h LEU 82 Cb 1.01 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.51 1dxt h LEU 82 CO 0.48 0.83 0.35 0.11 0.09 0.00 0.00 178.44 180.29 1dxt h LYS 83 N 0.73 0.66 -0.47 1.13 1.57 -1.90 0.12 116.57 118.40 1dxt h LYS 83 Ca 0.16 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.82 1dxt h LYS 83 Cb 0.35 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 1dxt h LYS 83 CO 0.00 0.44 -0.04 0.78 -0.57 0.00 0.00 179.45 180.06 1dxt h GLY 84 N 0.68 0.92 1.51 3.86 0.00 -1.94 -2.17 103.07 105.93 1dxt h GLY 84 Ca 0.24 -0.71 -0.05 0.00 0.00 0.00 0.00 47.33 46.81 1dxt h GLY 84 CO -0.11 0.65 0.05 -0.84 0.00 0.00 0.00 176.54 176.28 1dxt h THR 85 N 0.70 1.20 -0.49 4.70 2.02 -1.00 -3.16 112.91 116.88 1dxt h THR 85 Ca 0.13 -0.77 0.00 0.00 0.77 0.00 0.00 66.41 66.54 1dxt h THR 85 Cb 0.56 0.85 0.00 0.00 -1.74 0.00 0.00 68.15 67.82 1dxt h THR 85 CO 0.03 0.27 0.00 0.49 0.37 0.00 0.00 175.52 176.68 1dxt n PHE 86 N -4.29 0.65 0.02 3.16 3.72 0.38 -4.72 117.46 116.39 1dxt n PHE 86 Ca 0.02 -0.41 -0.10 0.00 -0.05 0.00 0.00 57.45 56.91 1dxt n PHE 86 Cb 0.23 -0.01 -0.05 0.00 -0.94 0.00 0.00 39.48 38.72 1dxt n PHE 86 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1dxt h ALA 87 N 3.50 -0.02 -0.45 4.37 0.00 -1.35 0.23 119.26 125.55 1dxt h ALA 87 Ca 0.00 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 1dxt h ALA 87 Cb 0.88 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1dxt h ALA 87 CO 0.00 -0.54 -0.11 1.15 0.00 0.00 0.00 179.25 179.75 1dxt h THR 88 N -0.09 1.26 -0.24 0.00 2.02 -1.84 -1.79 112.91 112.23 1dxt h THR 88 Ca 0.05 -1.17 -0.10 0.00 0.77 0.00 0.00 66.41 65.96 1dxt h THR 88 Cb 0.16 1.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 1dxt h THR 88 CO -0.12 0.40 -0.28 -0.07 0.37 0.00 0.00 175.52 175.82 1dxt h LEU 89 N 0.73 0.47 -0.05 2.58 3.38 -1.79 -0.72 115.31 119.92 1dxt h LEU 89 Ca 0.12 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 1dxt h LEU 89 Cb 0.59 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 1dxt h LEU 89 CO 0.04 0.74 0.03 -1.28 0.09 0.00 0.00 178.44 178.05 1dxt h SER 90 N 0.41 0.05 -0.51 -0.43 0.87 -0.03 -1.06 113.55 112.86 1dxt h SER 90 Ca 0.06 -0.06 0.06 0.00 -1.23 0.00 0.00 61.79 60.61 1dxt h SER 90 Cb 0.70 -0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 62.60 1dxt h SER 90 CO 0.05 0.10 0.22 -0.33 -0.53 0.00 0.00 176.83 176.35 1dxt h GLU 91 N 0.01 0.42 -0.36 2.24 5.08 -1.06 -2.08 114.58 118.83 1dxt h GLU 91 Ca 0.02 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1dxt h GLU 91 Cb 0.05 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 1dxt h GLU 91 CO -0.00 0.28 0.20 1.25 -1.00 0.00 0.00 179.01 179.73 1dxt h LEU 92 N 0.44 0.45 -1.67 1.33 5.85 -0.87 0.94 115.31 121.77 1dxt h LEU 92 Ca 0.23 -0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.84 1dxt h LEU 92 Cb 0.20 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 1dxt h LEU 92 CO -0.20 0.41 -0.07 0.45 -0.34 0.00 0.00 178.44 178.69 1dxt h HIS 93 N 0.45 0.12 0.00 1.25 3.86 -0.89 -0.22 115.15 119.73 1dxt h HIS 93 Ca 0.13 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.33 1dxt h HIS 93 Cb 0.06 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 28.49 1dxt h HIS 93 CO -0.03 0.20 -0.06 0.00 0.86 0.00 0.00 177.93 178.90 1dxt h ASP 95 N -0.87 0.80 0.00 0.00 3.32 -0.85 -3.11 116.42 115.71 1dxt h ASP 95 Ca 0.00 -0.40 -0.23 0.00 0.02 0.00 0.00 57.03 56.41 1dxt h ASP 95 Cb 0.06 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 39.34 1dxt h ASP 95 CO 0.00 1.16 -1.89 0.29 -1.72 0.00 0.00 179.24 177.08 1dxt n LYS 96 N -4.00 0.50 0.09 3.56 4.76 -0.21 -4.72 118.16 118.14 1dxt n LYS 96 Ca -0.03 0.08 0.10 0.00 -2.87 0.00 0.00 58.31 55.59 1dxt n LYS 96 Cb 0.59 -1.31 -0.02 0.00 -1.84 0.00 0.00 35.03 32.44 1dxt n LYS 96 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1dxt n LEU 97 N -2.92 0.82 -3.61 -0.35 4.77 -0.52 -4.99 117.00 110.20 1dxt n LEU 97 Ca -0.27 0.32 -0.22 0.00 -0.03 0.00 0.00 56.01 55.82 1dxt n LEU 97 Cb 0.80 -0.04 0.06 0.00 -2.33 0.00 0.00 43.42 41.92 1dxt n LEU 97 CO 0.16 -0.14 0.09 1.41 -1.33 0.00 0.00 177.39 177.58 1dxt n HIS 98 N -2.69 -2.28 -3.44 -1.77 8.25 -0.16 -4.96 115.22 108.17 1dxt n HIS 98 Ca -0.01 0.93 -0.39 0.00 -0.26 0.00 0.00 57.72 57.99 1dxt n HIS 98 Cb 0.59 -4.74 -0.09 0.00 1.12 0.00 0.00 29.99 26.87 1dxt n HIS 98 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1dxt s VAL 99 N -3.43 5.21 0.09 1.59 1.01 -0.38 -5.03 120.40 119.46 1dxt s VAL 99 Ca 0.22 0.51 -0.31 0.00 0.00 0.00 0.00 61.98 62.40 1dxt s VAL 99 Cb -0.10 -3.66 -0.09 0.00 0.00 0.00 0.00 36.38 32.52 1dxt s VAL 99 CO 0.77 0.20 1.71 -0.62 0.00 0.00 0.00 175.10 177.16 1dxt s ASP 100 N 1.50 6.54 0.44 3.32 -1.08 -1.26 -4.77 116.67 121.36 1dxt s ASP 100 Ca 0.14 2.58 0.24 0.00 -0.52 0.00 0.00 52.55 54.99 1dxt s ASP 100 Cb -0.15 -2.56 1.31 0.00 -1.46 0.00 0.00 42.92 40.05 1dxt s ASP 100 CO 0.09 -0.92 1.71 -0.65 0.52 0.00 0.00 175.17 175.92 1dxt h PRO 101 N 8.37 0.00 -0.22 4.34 0.11 -1.96 -1.01 132.00 141.63 1dxt h PRO 101 Ca -0.44 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.69 1dxt h PRO 101 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1dxt h PRO 101 CO 0.94 0.00 0.15 1.49 -0.21 0.00 0.00 178.00 180.36 1dxt h GLU 102 N 0.00 0.23 -0.52 1.05 4.57 -1.99 -0.99 114.58 116.94 1dxt h GLU 102 Ca 0.00 -0.01 0.04 0.00 -1.18 0.00 0.00 59.36 58.21 1dxt h GLU 102 Cb 0.30 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.81 1dxt h GLU 102 CO 0.00 0.15 0.34 -0.91 -1.18 0.00 0.00 179.01 177.42 1dxt h ASN 103 N 0.24 0.47 -0.07 1.04 4.21 -1.55 -1.45 115.58 118.47 1dxt h ASN 103 Ca 0.09 -0.00 -0.09 0.00 1.21 0.00 0.00 56.30 57.51 1dxt h ASN 103 Cb 0.06 -0.11 -0.01 0.00 -1.12 0.00 0.00 38.32 37.14 1dxt h ASN 103 CO -0.02 0.32 -0.20 -0.26 -1.29 0.00 0.00 177.43 175.98 1dxt h PHE 104 N 0.54 0.52 -0.26 1.19 0.04 -1.36 -1.16 116.94 116.46 1dxt h PHE 104 Ca 0.21 -0.10 -0.19 0.00 2.80 0.00 0.00 57.97 60.70 1dxt h PHE 104 Cb 0.17 -0.13 0.00 0.00 2.20 0.00 0.00 35.95 38.19 1dxt h PHE 104 CO -0.00 0.65 -0.58 0.00 -0.60 0.00 0.00 178.31 177.77 1dxt h ARG 105 N 0.42 0.85 -0.22 1.51 -0.00 -1.29 -0.94 114.38 114.70 1dxt h ARG 105 Ca 0.07 -0.57 0.00 0.00 -0.50 0.00 0.00 59.98 58.98 1dxt h ARG 105 Cb 0.60 0.08 -0.01 0.00 0.00 0.00 0.00 29.97 30.63 1dxt h ARG 105 CO 0.04 1.20 0.15 -0.07 0.00 0.00 0.00 179.97 181.28 1dxt h LEU 106 N 0.62 0.26 -0.48 3.04 3.38 -1.19 -1.45 115.31 119.48 1dxt h LEU 106 Ca -0.00 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 57.98 1dxt h LEU 106 Cb 1.20 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.85 1dxt h LEU 106 CO 0.13 0.19 0.27 0.25 0.09 0.00 0.00 178.44 179.37 1dxt h LEU 107 N 0.30 0.43 -0.53 1.67 5.85 -1.15 -1.35 115.31 120.52 1dxt h LEU 107 Ca 0.08 0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.89 1dxt h LEU 107 Cb -0.03 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 40.87 1dxt h LEU 107 CO -0.02 0.30 0.20 1.23 -0.34 0.00 0.00 178.44 179.81 1dxt h GLY 108 N 0.54 0.72 1.74 3.75 0.00 -0.90 0.34 103.07 109.26 1dxt h GLY 108 Ca 0.20 -0.11 -0.12 0.00 0.00 0.00 0.00 47.33 47.30 1dxt h GLY 108 CO -0.11 0.01 -0.45 3.43 0.00 0.00 0.00 176.54 179.43 1dxt h ASN 109 N 0.38 0.31 -0.47 0.19 2.35 -0.70 -1.93 115.58 115.71 1dxt h ASN 109 Ca 0.26 -0.14 -0.13 0.00 -0.55 0.00 0.00 56.30 55.74 1dxt h ASN 109 Cb 0.28 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 1dxt h ASN 109 CO -0.26 0.72 -0.22 0.58 -1.65 0.00 0.00 177.43 176.60 1dxt h VAL 110 N 0.24 1.27 -0.45 2.81 2.07 -0.69 -2.05 116.25 119.43 1dxt h VAL 110 Ca 0.02 -1.39 0.01 0.00 0.82 0.00 0.00 66.70 66.16 1dxt h VAL 110 Cb 0.89 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.76 1dxt h VAL 110 CO 0.07 0.48 0.29 0.25 0.02 0.00 0.00 177.57 178.68 1dxt h LEU 111 N 0.85 0.48 -0.51 2.57 5.85 -0.04 0.25 115.31 124.76 1dxt h LEU 111 Ca 0.11 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.85 1dxt h LEU 111 Cb 0.80 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.68 1dxt h LEU 111 CO 0.07 0.35 0.29 0.58 -0.34 0.00 0.00 178.44 179.39 1dxt h VAL 112 N 0.58 1.04 -0.81 1.05 2.07 -1.08 -0.55 116.25 118.54 1dxt h VAL 112 Ca 0.17 -0.20 0.02 0.00 0.82 0.00 0.00 66.70 67.51 1dxt h VAL 112 Cb -0.03 0.40 -0.04 0.00 -1.52 0.00 0.00 31.29 30.09 1dxt h VAL 112 CO -0.06 0.11 0.53 0.00 0.02 0.00 0.00 177.57 178.17 1dxt h VAL 114 N 1.05 1.05 -0.69 0.00 2.07 -0.31 -0.69 116.25 118.74 1dxt h VAL 114 Ca 0.31 -0.09 0.01 0.00 0.82 0.00 0.00 66.70 67.75 1dxt h VAL 114 Cb -0.06 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 30.44 1dxt h VAL 114 CO -0.09 0.05 0.46 -0.07 0.02 0.00 0.00 177.57 177.93 1dxt h LEU 115 N 0.27 0.79 -0.61 2.57 3.38 -0.86 0.19 115.31 121.03 1dxt h LEU 115 Ca 0.07 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.04 1dxt h LEU 115 Cb -0.03 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.48 1dxt h LEU 115 CO -0.02 0.58 0.38 0.00 0.09 0.00 0.00 178.44 179.47 1dxt h ALA 116 N 1.25 0.79 -0.45 1.53 0.00 -0.79 0.30 119.26 121.89 1dxt h ALA 116 Ca 0.25 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.05 1dxt h ALA 116 Cb -0.11 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 1dxt h ALA 116 CO -0.05 0.14 -0.05 1.25 0.00 0.00 0.00 179.25 180.53 1dxt h HIS 117 N 0.76 0.92 -0.46 0.00 -0.00 -0.53 0.01 115.15 115.85 1dxt h HIS 117 Ca 0.24 -0.18 -0.08 0.00 -0.00 0.00 0.00 60.37 60.35 1dxt h HIS 117 Cb -0.01 -0.23 -0.02 0.00 -0.00 0.00 0.00 27.41 27.15 1dxt h HIS 117 CO -0.05 0.90 -0.03 0.45 -0.00 0.00 0.00 177.93 179.21 1dxt h HIS 118 N 0.66 0.91 0.00 5.26 -0.00 -0.34 -3.33 115.15 118.31 1dxt h HIS 118 Ca 0.12 -0.17 0.00 0.00 -0.00 0.00 0.00 60.37 60.32 1dxt h HIS 118 Cb 0.58 -0.23 0.00 0.00 -0.00 0.00 0.00 27.41 27.75 1dxt h HIS 118 CO 0.04 0.89 -1.11 1.19 -0.00 0.00 0.00 177.93 178.95 1dxt n PHE 119 N -4.34 0.01 -3.14 2.45 3.72 0.10 -5.05 117.46 111.21 1dxt n PHE 119 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1dxt n PHE 119 Cb 0.33 -0.08 0.00 0.00 -0.94 0.00 0.00 39.48 38.79 1dxt n PHE 119 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1dxt n GLY 120 N 1.47 2.90 0.31 1.37 0.00 -0.02 -2.08 105.19 109.15 1dxt n GLY 120 Ca 0.03 -0.28 0.18 0.00 0.00 0.00 0.00 46.02 45.95 1dxt n GLY 120 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1dxt h LYS 121 N 0.00 0.00 0.00 1.61 2.10 -1.97 0.19 116.57 118.50 1dxt h LYS 121 Ca 0.00 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.62 1dxt h LYS 121 Cb 0.00 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1dxt h LYS 121 CO 0.00 0.00 -0.14 0.93 -2.00 0.00 0.00 179.45 178.24 1dxt h GLU 122 N 0.00 0.00 -3.97 0.07 5.08 -1.81 -3.34 114.58 110.61 1dxt h GLU 122 Ca 0.00 0.00 -0.73 0.00 -1.00 0.00 0.00 59.36 57.63 1dxt h GLU 122 Cb 0.24 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.40 1dxt h GLU 122 CO 0.00 0.14 2.59 0.34 -1.00 0.00 0.00 179.01 181.09 1dxt n PHE 123 N -3.26 3.45 -1.27 4.33 7.35 0.05 -4.93 117.46 123.18 1dxt n PHE 123 Ca 0.01 -2.92 -0.30 0.00 -0.76 0.00 0.00 57.45 53.49 1dxt n PHE 123 Cb 0.41 -2.32 0.13 0.00 0.35 0.00 0.00 39.48 38.05 1dxt n PHE 123 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1dxt s THR 124 N 2.16 2.63 0.22 -2.13 -4.23 -1.25 -4.68 115.64 108.35 1dxt s THR 124 Ca 0.45 0.20 -0.08 0.00 -1.18 0.00 0.00 61.69 61.08 1dxt s THR 124 Cb 0.11 -2.74 0.19 0.00 1.34 0.00 0.00 72.50 71.40 1dxt s THR 124 CO -0.04 -0.27 1.70 -0.65 -0.54 0.00 0.00 174.62 174.83 1dxt h PRO 125 N -1.51 0.27 -0.48 3.99 0.11 -1.93 0.95 132.00 133.40 1dxt h PRO 125 Ca -0.50 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.52 1dxt h PRO 125 Cb 1.29 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 1dxt h PRO 125 CO 0.56 0.18 -0.00 -1.35 -0.21 0.00 0.00 178.00 177.18 1dxt h PRO 126 N 0.28 0.79 -0.30 1.05 0.11 -1.99 -1.70 132.00 130.25 1dxt h PRO 126 Ca 0.35 -0.22 -0.06 0.00 0.11 0.00 0.00 66.00 66.19 1dxt h PRO 126 Cb 0.55 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.56 1dxt h PRO 126 CO -0.44 0.80 -0.06 0.28 -0.21 0.00 0.00 178.00 178.38 1dxt h VAL 127 N 0.74 1.28 -0.32 3.15 2.07 -1.64 -1.84 116.25 119.69 1dxt h VAL 127 Ca 0.14 -1.08 0.05 0.00 0.82 0.00 0.00 66.70 66.64 1dxt h VAL 127 Cb 0.46 1.38 -0.05 0.00 -1.52 0.00 0.00 31.29 31.56 1dxt h VAL 127 CO 0.02 0.35 0.01 -0.61 0.02 0.00 0.00 177.57 177.35 1dxt h GLN 128 N 0.33 0.10 -0.60 1.57 4.15 -0.67 -1.09 115.11 118.90 1dxt h GLN 128 Ca 0.08 -0.01 0.09 0.00 0.77 0.00 0.00 58.65 59.58 1dxt h GLN 128 Cb 0.54 -0.02 -0.07 0.00 0.21 0.00 0.00 27.48 28.13 1dxt h GLN 128 CO 0.03 0.06 0.21 0.00 -1.93 0.00 0.00 178.83 177.20 1dxt h ALA 129 N 1.27 0.76 -0.23 3.38 0.00 -1.09 0.32 119.26 123.68 1dxt h ALA 129 Ca 0.15 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1dxt h ALA 129 Cb 0.20 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1dxt h ALA 129 CO -0.25 -0.21 0.12 0.00 0.00 0.00 0.00 179.25 178.90 1dxt h ALA 130 N 1.42 0.29 0.00 0.00 0.00 -0.91 -2.31 119.26 117.75 1dxt h ALA 130 Ca 0.30 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 1dxt h ALA 130 Cb 0.38 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1dxt h ALA 130 CO -0.31 -0.17 -0.25 1.88 0.00 0.00 0.00 179.25 180.40 1dxt h TYR 131 N 0.25 0.00 -0.62 0.00 0.05 -0.14 -2.13 116.97 114.38 1dxt h TYR 131 Ca 0.08 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.84 1dxt h TYR 131 Cb 0.08 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.79 1dxt h TYR 131 CO -0.03 0.25 0.31 1.96 -1.05 0.00 0.00 178.16 179.59 1dxt h GLN 132 N 0.00 0.88 -0.53 4.88 1.08 -0.01 0.45 115.11 121.86 1dxt h GLN 132 Ca -0.00 -0.12 -0.02 0.00 -1.45 0.00 0.00 58.65 57.06 1dxt h GLN 132 Cb 0.45 -0.16 -0.02 0.00 -0.05 0.00 0.00 27.48 27.69 1dxt h GLN 132 CO 0.03 0.70 0.26 0.87 -0.95 0.00 0.00 178.83 179.74 1dxt h LYS 133 N 0.84 0.76 -0.22 1.46 1.57 -0.87 -1.26 116.57 118.85 1dxt h LYS 133 Ca 0.21 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.88 1dxt h LYS 133 Cb 0.10 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 1dxt h LYS 133 CO -0.03 0.62 0.11 0.28 -0.57 0.00 0.00 179.45 179.86 1dxt h VAL 134 N 0.71 1.14 -0.63 0.50 2.07 -0.97 -0.88 116.25 118.20 1dxt h VAL 134 Ca 0.18 -0.41 -0.07 0.00 0.82 0.00 0.00 66.70 67.23 1dxt h VAL 134 Cb 0.11 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 1dxt h VAL 134 CO -0.02 0.14 0.12 1.62 0.02 0.00 0.00 177.57 179.45 1dxt h VAL 135 N 0.23 1.25 -0.44 2.57 3.04 -0.80 -0.53 116.25 121.57 1dxt h VAL 135 Ca 0.08 -0.96 -0.11 0.00 -1.01 0.00 0.00 66.70 64.69 1dxt h VAL 135 Cb 0.12 0.64 -0.02 0.00 -2.01 0.00 0.00 31.29 30.03 1dxt h VAL 135 CO -0.01 0.36 -0.18 0.00 -1.01 0.00 0.00 177.57 176.73 1dxt h ALA 136 N 1.17 0.85 -0.25 3.17 0.00 -1.12 -1.57 119.26 121.51 1dxt h ALA 136 Ca 0.20 -0.36 0.01 0.00 0.00 0.00 0.00 54.91 54.75 1dxt h ALA 136 Cb 0.38 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1dxt h ALA 136 CO 0.01 0.64 0.15 0.78 0.00 0.00 0.00 179.25 180.83 1dxt h GLY 137 N 0.95 0.34 0.95 0.00 0.00 -0.54 -0.24 103.07 104.53 1dxt h GLY 137 Ca 0.11 -0.12 -0.04 0.00 0.00 0.00 0.00 47.33 47.28 1dxt h GLY 137 CO 0.05 0.11 0.10 -2.08 0.00 0.00 0.00 176.54 174.73 1dxt h VAL 138 N 0.32 1.23 -0.44 4.60 2.07 -1.05 -0.43 116.25 122.55 1dxt h VAL 138 Ca 0.09 -0.82 -0.01 0.00 0.82 0.00 0.00 66.70 66.78 1dxt h VAL 138 Cb -0.02 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 1dxt h VAL 138 CO -0.03 0.29 0.24 0.00 0.02 0.00 0.00 177.57 178.08 1dxt h ALA 139 N 0.96 0.57 -0.68 1.67 0.00 -0.95 0.07 119.26 120.90 1dxt h ALA 139 Ca 0.14 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1dxt h ALA 139 Cb 0.33 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1dxt h ALA 139 CO 0.00 0.10 0.36 -0.91 0.00 0.00 0.00 179.25 178.80 1dxt h ASN 140 N 0.57 0.85 -0.72 0.00 2.35 -0.88 -1.71 115.58 116.04 1dxt h ASN 140 Ca 0.15 -0.10 -0.05 0.00 -0.55 0.00 0.00 56.30 55.75 1dxt h ASN 140 Cb 0.07 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.19 1dxt h ASN 140 CO -0.02 0.71 0.25 0.00 -1.65 0.00 0.00 177.43 176.71 1dxt h ALA 141 N 1.18 0.95 0.00 -0.83 0.00 -0.67 -1.73 119.26 118.15 1dxt h ALA 141 Ca 0.24 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1dxt h ALA 141 Cb 0.05 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 1dxt h ALA 141 CO -0.04 0.61 -0.05 -0.07 0.00 0.00 0.00 179.25 179.70 1dxt h LEU 142 N 1.06 0.00 0.00 0.00 3.38 -0.72 -3.16 115.31 115.86 1dxt h LEU 142 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1dxt h LEU 142 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1dxt h LEU 142 CO -0.01 0.05 -0.86 0.00 0.09 0.00 0.00 178.44 177.71 1dxt n ALA 143 N -2.12 4.21 -0.25 1.53 0.00 -0.67 -4.42 120.51 118.79 1dxt n ALA 143 Ca 0.01 -0.50 0.14 0.00 0.00 0.00 0.00 53.44 53.09 1dxt n ALA 143 Cb 0.40 -0.90 0.42 0.00 0.00 0.00 0.00 19.45 19.37 1dxt n ALA 143 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1dxt h HIS 144 N 0.00 0.72 -0.55 0.00 6.17 -1.29 -2.06 115.15 118.14 1dxt h HIS 144 Ca 0.00 0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.10 1dxt h HIS 144 Cb 0.53 -0.23 0.00 0.00 2.52 0.00 0.00 27.41 30.23 1dxt h HIS 144 CO 0.00 0.26 0.00 1.63 0.71 0.00 0.00 177.93 180.53 1dxt n LYS 145 N -4.54 2.34 -2.21 5.26 4.76 -1.26 -4.95 118.16 117.55 1dxt n LYS 145 Ca 0.17 -2.07 -0.39 0.00 -2.87 0.00 0.00 58.31 53.15 1dxt n LYS 145 Cb 0.51 -1.46 -0.02 0.00 -1.84 0.00 0.00 35.03 32.23 1dxt n LYS 145 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1dxt s TYR 146 N -1.27 3.00 0.00 2.13 1.51 -0.78 -4.77 117.35 117.17 1dxt s TYR 146 Ca 0.39 1.50 0.00 0.00 -1.01 0.00 0.00 57.07 57.95 1dxt s TYR 146 Cb 0.20 -3.50 0.00 0.00 -0.11 0.00 0.00 41.96 38.55 1dxt s TYR 146 CO 0.27 -1.58 0.00 -2.39 -1.11 0.00 0.00 175.55 170.74