#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dxt s LEU 2 N 0.00 4.12 0.82 7.52 1.43 -1.26 -5.04 118.68 126.28 1dxt s LEU 2 Ca 0.00 0.52 -0.12 0.00 -1.03 0.00 0.00 54.13 53.50 1dxt s LEU 2 Cb 0.00 -2.96 0.09 0.00 0.03 0.00 0.00 46.19 43.35 1dxt s LEU 2 CO 0.00 -0.57 1.10 -0.94 0.23 0.00 0.00 176.35 176.17 1dxt s SER 3 N 1.65 4.26 0.36 2.29 1.04 -1.26 -4.79 113.70 117.25 1dxt s SER 3 Ca 0.29 1.24 0.05 0.00 0.48 0.00 0.00 55.95 58.01 1dxt s SER 3 Cb -0.14 -1.94 0.72 0.00 0.10 0.00 0.00 66.02 64.75 1dxt s SER 3 CO 0.13 -2.11 1.97 -0.65 0.98 0.00 0.00 173.24 173.55 1dxt h PRO 4 N -1.19 0.76 -0.28 4.02 0.11 -1.99 0.11 132.00 133.54 1dxt h PRO 4 Ca -0.48 -0.05 -0.13 0.00 0.11 0.00 0.00 66.00 65.46 1dxt h PRO 4 Cb 1.28 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1dxt h PRO 4 CO 0.60 0.50 -0.37 0.00 -0.21 0.00 0.00 178.00 178.52 1dxt h ALA 5 N 1.60 0.84 -0.44 -0.75 0.00 -1.99 -1.80 119.26 116.72 1dxt h ALA 5 Ca 0.30 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1dxt h ALA 5 Cb 0.19 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1dxt h ALA 5 CO -0.10 0.64 0.28 -0.44 0.00 0.00 0.00 179.25 179.63 1dxt h ASP 6 N 0.52 0.52 -0.85 0.00 3.32 -1.22 -1.41 116.42 117.31 1dxt h ASP 6 Ca 0.05 -0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 1dxt h ASP 6 Cb 0.87 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 40.25 1dxt h ASP 6 CO 0.08 0.41 0.46 0.11 -1.72 0.00 0.00 179.24 178.57 1dxt h LYS 7 N 0.60 1.20 -0.46 3.56 1.57 -0.86 -0.51 116.57 121.67 1dxt h LYS 7 Ca 0.16 -0.15 -0.05 0.00 -1.87 0.00 0.00 60.65 58.75 1dxt h LYS 7 Cb -0.03 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.03 1dxt h LYS 7 CO -0.03 0.89 0.11 1.15 -0.57 0.00 0.00 179.45 180.99 1dxt h THR 8 N 1.20 1.24 0.02 -0.16 2.02 -1.15 -0.34 112.91 115.73 1dxt h THR 8 Ca 0.30 -0.84 0.00 0.00 0.77 0.00 0.00 66.41 66.64 1dxt h THR 8 Cb 0.05 0.90 -0.00 0.00 -1.74 0.00 0.00 68.15 67.36 1dxt h THR 8 CO -0.05 0.30 -0.01 0.78 0.37 0.00 0.00 175.52 176.91 1dxt h ASN 9 N 0.62 -0.04 0.15 4.18 2.35 -0.92 -0.25 115.58 121.67 1dxt h ASN 9 Ca 0.14 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.89 1dxt h ASN 9 Cb 0.33 0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.72 1dxt h ASN 9 CO 0.00 -0.02 -0.07 0.58 -1.65 0.00 0.00 177.43 176.27 1dxt h VAL 10 N -0.03 0.85 -0.72 2.81 2.07 -1.05 -0.05 116.25 120.13 1dxt h VAL 10 Ca 0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.51 1dxt h VAL 10 Cb 0.03 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 1dxt h VAL 10 CO -0.00 0.00 0.39 0.11 0.02 0.00 0.00 177.57 178.08 1dxt h LYS 11 N -0.20 1.00 0.15 1.57 1.57 -0.94 -0.62 116.57 119.10 1dxt h LYS 11 Ca -0.02 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.64 1dxt h LYS 11 Cb 0.16 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.27 1dxt h LYS 11 CO 0.03 0.74 -0.07 0.00 -0.57 0.00 0.00 179.45 179.58 1dxt h ALA 12 N 1.42 -0.20 -0.48 3.86 0.00 -0.78 0.10 119.26 123.19 1dxt h ALA 12 Ca 0.25 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1dxt h ALA 12 Cb 0.03 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1dxt h ALA 12 CO -0.04 -0.51 0.29 0.00 0.00 0.00 0.00 179.25 178.99 1dxt h ALA 13 N 0.43 0.61 -0.10 0.00 0.00 -0.84 -2.11 119.26 117.24 1dxt h ALA 13 Ca -0.02 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 1dxt h ALA 13 Cb 0.31 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1dxt h ALA 13 CO 0.03 0.08 -0.39 2.35 0.00 0.00 0.00 179.25 181.33 1dxt h TRP 14 N 0.64 0.25 0.09 0.00 2.91 -1.10 -2.08 115.95 116.66 1dxt h TRP 14 Ca 0.17 -0.06 0.01 0.00 1.13 0.00 0.00 58.89 60.14 1dxt h TRP 14 Cb -0.02 -0.06 -0.02 0.00 -0.51 0.00 0.00 29.16 28.55 1dxt h TRP 14 CO -0.03 0.58 -0.17 0.78 -1.03 0.00 0.00 178.44 178.57 1dxt h GLY 15 N 1.19 -0.29 2.00 2.65 0.00 -0.41 -1.32 103.07 106.88 1dxt h GLY 15 Ca 0.02 0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.53 1dxt h GLY 15 CO 0.06 -0.16 -0.03 0.50 0.00 0.00 0.00 176.54 176.91 1dxt h LYS 16 N -0.32 0.00 -0.04 4.80 1.79 -1.04 -1.53 116.57 120.22 1dxt h LYS 16 Ca 0.02 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.49 1dxt h LYS 16 Cb 0.34 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.99 1dxt h LYS 16 CO -0.09 0.03 0.02 0.28 -1.08 0.00 0.00 179.45 178.60 1dxt h VAL 17 N 0.00 1.13 0.00 0.50 2.07 -0.57 -3.45 116.25 115.92 1dxt h VAL 17 Ca -0.00 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.14 1dxt h VAL 17 Cb 0.06 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 1dxt h VAL 17 CO 0.00 0.10 0.00 0.61 0.02 0.00 0.00 177.57 178.31 1dxt n GLY 18 N -0.69 3.50 0.07 2.17 0.00 -0.58 -1.71 105.19 107.95 1dxt n GLY 18 Ca -0.07 0.09 0.10 0.00 0.00 0.00 0.00 46.02 46.14 1dxt n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dxt n ALA 19 N 11.30 1.77 1.58 4.61 0.00 -1.26 -2.91 120.51 135.60 1dxt n ALA 19 Ca 0.00 0.01 0.14 0.00 0.00 0.00 0.00 53.44 53.59 1dxt n ALA 19 Cb 0.00 -1.34 0.59 0.00 0.00 0.00 0.00 19.45 18.70 1dxt n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1dxt n HIS 20 N -1.92 0.00 -0.30 0.00 8.25 -0.70 -4.38 115.22 116.19 1dxt n HIS 20 Ca 0.03 -0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.50 1dxt n HIS 20 Cb 0.23 0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.42 1dxt n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1dxt h ALA 21 N 4.29 0.34 -0.50 -1.41 0.00 -1.66 -0.83 119.26 119.49 1dxt h ALA 21 Ca 0.00 0.28 0.03 0.00 0.00 0.00 0.00 54.91 55.23 1dxt h ALA 21 Cb 0.41 0.75 -0.04 0.00 0.00 0.00 0.00 17.79 18.92 1dxt h ALA 21 CO 0.00 -0.51 0.28 0.78 0.00 0.00 0.00 179.25 179.80 1dxt h GLY 22 N -0.04 0.71 1.01 0.00 0.00 -1.86 -0.21 103.07 102.67 1dxt h GLY 22 Ca 0.36 -0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.48 1dxt h GLY 22 CO -0.86 0.16 0.43 -2.09 0.00 0.00 0.00 176.54 174.18 1dxt h GLU 23 N 0.55 1.00 -0.06 4.80 4.81 -1.50 -2.09 114.58 122.10 1dxt h GLU 23 Ca 0.21 -0.10 -0.13 0.00 -0.13 0.00 0.00 59.36 59.21 1dxt h GLU 23 Cb 0.07 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.23 1dxt h GLU 23 CO -0.12 0.72 -0.55 1.88 -0.73 0.00 0.00 179.01 180.21 1dxt h TYR 24 N 1.00 0.21 -0.39 0.92 0.05 -0.84 -1.62 116.97 116.30 1dxt h TYR 24 Ca 0.26 -0.08 -0.10 0.00 0.05 0.00 0.00 58.73 58.86 1dxt h TYR 24 Cb -0.01 -0.04 -0.01 0.00 1.01 0.00 0.00 36.73 37.67 1dxt h TYR 24 CO -0.01 0.68 -0.15 0.78 -1.05 0.00 0.00 178.16 178.42 1dxt h GLY 25 N 1.48 0.86 1.01 3.88 0.00 -0.61 -1.35 103.07 108.35 1dxt h GLY 25 Ca -0.00 -0.75 -0.07 0.00 0.00 0.00 0.00 47.33 46.51 1dxt h GLY 25 CO 0.08 0.68 0.07 0.00 0.00 0.00 0.00 176.54 177.37 1dxt h ALA 26 N 0.82 0.72 -0.66 3.60 0.00 -1.24 -1.88 119.26 120.62 1dxt h ALA 26 Ca 0.09 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 1dxt h ALA 26 Cb 0.69 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1dxt h ALA 26 CO 0.05 0.49 0.22 1.49 0.00 0.00 0.00 179.25 181.50 1dxt h GLU 27 N 0.80 1.02 -0.70 0.00 4.81 -1.19 -0.86 114.58 118.46 1dxt h GLU 27 Ca 0.16 -0.21 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 1dxt h GLU 27 Cb 0.44 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.63 1dxt h GLU 27 CO 0.01 0.88 0.41 0.00 -0.73 0.00 0.00 179.01 179.58 1dxt h ALA 28 N 1.09 0.89 -0.38 2.92 0.00 -1.02 0.71 119.26 123.47 1dxt h ALA 28 Ca 0.21 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1dxt h ALA 28 Cb 0.27 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1dxt h ALA 28 CO -0.01 0.38 0.15 -0.07 0.00 0.00 0.00 179.25 179.70 1dxt h LEU 29 N 0.96 0.53 -0.63 0.00 3.38 -0.99 -1.35 115.31 117.21 1dxt h LEU 29 Ca 0.25 -0.17 0.06 0.00 0.09 0.00 0.00 57.88 58.11 1dxt h LEU 29 Cb -0.01 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.55 1dxt h LEU 29 CO -0.04 0.56 0.33 -0.08 0.09 0.00 0.00 178.44 179.29 1dxt h GLU 30 N 0.47 0.60 -0.55 1.13 4.81 -0.76 0.70 114.58 120.99 1dxt h GLU 30 Ca 0.13 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.33 1dxt h GLU 30 Cb 0.19 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.41 1dxt h GLU 30 CO -0.01 0.39 0.36 0.00 -0.73 0.00 0.00 179.01 179.02 1dxt h ARG 31 N 0.61 0.71 -0.10 1.92 3.08 -0.61 -2.17 114.38 117.83 1dxt h ARG 31 Ca 0.29 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.29 1dxt h ARG 31 Cb 0.20 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.09 1dxt h ARG 31 CO -0.19 0.47 0.05 1.98 -1.07 0.00 0.00 179.97 181.21 1dxt h MET 32 N 0.73 0.13 -0.49 0.04 4.05 -0.59 0.70 114.93 119.50 1dxt h MET 32 Ca 0.20 -0.02 -0.04 0.00 -0.28 0.00 0.00 59.70 59.57 1dxt h MET 32 Cb -0.08 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 30.67 1dxt h MET 32 CO -0.05 0.17 0.15 0.74 0.23 0.00 0.00 176.91 178.15 1dxt h PHE 33 N 0.07 0.74 0.22 1.39 0.04 -0.70 0.14 116.94 118.83 1dxt h PHE 33 Ca 0.03 -0.05 -0.32 0.00 2.80 0.00 0.00 57.97 60.43 1dxt h PHE 33 Cb 0.07 -0.22 0.04 0.00 2.20 0.00 0.00 35.95 38.04 1dxt h PHE 33 CO -0.05 0.60 -1.41 -0.07 -0.60 0.00 0.00 178.31 176.79 1dxt h LEU 34 N 0.71 0.85 -0.06 1.54 3.38 -1.27 -3.30 115.31 117.17 1dxt h LEU 34 Ca 0.17 -0.90 -0.24 0.00 0.09 0.00 0.00 57.88 56.99 1dxt h LEU 34 Cb 0.21 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1dxt h LEU 34 CO -0.01 1.68 -1.06 0.28 0.09 0.00 0.00 178.44 179.42 1dxt h SER 35 N 0.16 0.46 -2.74 -0.43 0.02 -0.74 -3.40 113.55 106.89 1dxt h SER 35 Ca -0.24 -0.42 -0.60 0.00 -0.84 0.00 0.00 61.79 59.69 1dxt h SER 35 Cb 2.10 -0.14 -0.40 0.00 0.14 0.00 0.00 62.40 64.10 1dxt h SER 35 CO 0.27 1.26 -0.78 -0.36 -1.14 0.00 0.00 176.83 176.08 1dxt s PHE 36 N -3.00 2.28 0.63 3.45 0.08 0.47 -4.99 117.98 116.90 1dxt s PHE 36 Ca -0.05 -2.81 0.34 0.00 0.12 0.00 0.00 56.93 54.54 1dxt s PHE 36 Cb 0.08 -1.79 1.93 0.00 -0.57 0.00 0.00 43.02 42.68 1dxt s PHE 36 CO 0.87 -0.69 2.18 -1.35 -0.10 0.00 0.00 175.22 176.12 1dxt h PRO 37 N 5.55 0.00 0.00 0.24 0.11 -1.75 -1.18 132.00 134.98 1dxt h PRO 37 Ca 0.20 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.30 1dxt h PRO 37 Cb 0.84 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.94 1dxt h PRO 37 CO 0.54 0.00 -0.07 1.79 -0.21 0.00 0.00 178.00 180.04 1dxt h THR 38 N 0.00 0.36 0.00 -1.15 1.35 -1.91 -1.47 112.91 110.08 1dxt h THR 38 Ca 0.03 -0.42 0.00 0.00 -0.55 0.00 0.00 66.41 65.47 1dxt h THR 38 Cb 0.30 1.30 0.00 0.00 -1.73 0.00 0.00 68.15 68.03 1dxt h THR 38 CO -0.00 0.07 0.00 0.71 -0.25 0.00 0.00 175.52 176.05 1dxt h THR 39 N 0.00 0.00 0.00 6.82 1.35 -1.54 -2.07 112.91 117.47 1dxt h THR 39 Ca -0.00 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.56 1dxt h THR 39 Cb 0.30 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 67.98 1dxt h THR 39 CO 0.01 0.00 0.00 0.11 -0.25 0.00 0.00 175.52 175.39 1dxt h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.45 -2.83 116.57 118.59 1dxt h LYS 40 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1dxt h LYS 40 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1dxt h LYS 40 CO 0.00 0.00 0.00 1.79 -0.57 0.00 0.00 179.45 180.67 1dxt h THR 41 N 0.00 0.00 -0.01 -0.16 1.35 -1.55 -2.02 112.91 110.53 1dxt h THR 41 Ca 0.00 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.71 1dxt h THR 41 Cb 0.40 1.01 0.00 0.00 -1.73 0.00 0.00 68.15 67.83 1dxt h THR 41 CO 0.00 0.00 -0.18 -1.22 -0.25 0.00 0.00 175.52 173.87 1dxt n TYR 42 N -2.83 0.00 -2.68 4.73 4.01 -1.07 -4.31 117.16 115.01 1dxt n TYR 42 Ca -0.01 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.54 1dxt n TYR 42 Cb 0.14 -0.12 0.01 0.00 -0.31 0.00 0.00 39.34 39.05 1dxt n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1dxt n PHE 43 N -0.61 2.15 0.30 -0.72 3.01 -0.76 -4.87 117.46 115.95 1dxt n PHE 43 Ca 0.14 -3.14 0.19 0.00 1.01 0.00 0.00 57.45 55.64 1dxt n PHE 43 Cb 0.33 -0.29 0.84 0.00 -0.01 0.00 0.00 39.48 40.35 1dxt n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1dxt h PRO 44 N 2.85 0.00 -0.04 -1.08 0.13 -1.75 -2.52 132.00 129.58 1dxt h PRO 44 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1dxt h PRO 44 Cb 1.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.13 1dxt h PRO 44 CO 0.66 0.00 0.00 -2.39 -0.23 0.00 0.00 178.00 176.04 1dxt n HIS 45 N -3.07 0.04 -4.08 1.56 1.44 -1.26 -4.92 115.22 104.93 1dxt n HIS 45 Ca -0.00 -0.02 -0.24 0.00 -2.01 0.00 0.00 57.72 55.45 1dxt n HIS 45 Cb 0.24 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.30 1dxt n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1dxt s PHE 46 N -1.96 3.18 -0.41 -1.40 0.40 -0.95 -5.08 117.98 111.75 1dxt s PHE 46 Ca 0.37 -0.05 -0.22 0.00 -0.60 0.00 0.00 56.93 56.43 1dxt s PHE 46 Cb 0.20 -1.48 0.02 0.00 0.51 0.00 0.00 43.02 42.27 1dxt s PHE 46 CO 0.32 0.51 0.70 0.34 0.70 0.00 0.00 175.22 177.79 1dxt s ASP 47 N -3.49 6.40 -0.10 1.36 -1.08 -1.26 -4.93 116.67 113.58 1dxt s ASP 47 Ca 0.32 -0.06 0.15 0.00 -0.52 0.00 0.00 52.55 52.45 1dxt s ASP 47 Cb -0.09 -2.35 0.61 0.00 -1.46 0.00 0.00 42.92 39.63 1dxt s ASP 47 CO 0.25 -0.76 1.49 0.18 0.52 0.00 0.00 175.17 176.85 1dxt n LEU 48 N 6.35 4.08 -4.75 -1.34 4.77 -1.26 -4.55 117.00 120.30 1dxt n LEU 48 Ca 0.00 -2.06 -0.33 0.00 -0.03 0.00 0.00 56.01 53.60 1dxt n LEU 48 Cb 0.48 -0.53 0.08 0.00 -2.33 0.00 0.00 43.42 41.12 1dxt n LEU 48 CO 0.54 0.69 0.74 -0.94 -1.33 0.00 0.00 177.39 177.09 1dxt s SER 49 N -0.82 4.50 0.18 -1.43 1.04 -1.26 -4.90 113.70 111.01 1dxt s SER 49 Ca 0.43 2.09 -0.32 0.00 0.48 0.00 0.00 55.95 58.63 1dxt s SER 49 Cb 0.28 -2.56 -0.11 0.00 0.10 0.00 0.00 66.02 63.72 1dxt s SER 49 CO 0.21 -2.04 1.76 -2.28 0.98 0.00 0.00 173.24 171.86 1dxt s HIS 50 N -2.37 2.66 0.00 5.02 2.46 -1.26 -1.22 115.29 120.58 1dxt s HIS 50 Ca 0.68 0.22 0.00 0.00 0.47 0.00 0.00 55.06 56.43 1dxt s HIS 50 Cb -0.23 -4.16 0.00 0.00 -0.13 0.00 0.00 32.58 28.07 1dxt s HIS 50 CO 0.47 -4.50 0.00 0.41 -2.47 0.00 0.00 174.74 168.64 1dxt n GLY 51 N 4.06 0.87 3.65 1.59 0.00 -1.26 -5.02 105.19 109.08 1dxt n GLY 51 Ca 0.16 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.73 1dxt n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1dxt n SER 52 N 0.00 2.53 0.21 1.61 2.88 -0.36 -4.82 113.62 115.67 1dxt n SER 52 Ca 0.00 1.14 0.08 0.00 -1.33 0.00 0.00 58.87 58.76 1dxt n SER 52 Cb 0.00 -1.39 0.47 0.00 -0.75 0.00 0.00 64.21 62.54 1dxt n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1dxt h ALA 53 N 4.16 1.12 -0.45 -1.46 0.00 -1.90 -1.04 119.26 119.69 1dxt h ALA 53 Ca -0.45 -0.25 -0.13 0.00 0.00 0.00 0.00 54.91 54.09 1dxt h ALA 53 Cb 1.29 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1dxt h ALA 53 CO 0.75 0.34 -0.22 1.96 0.00 0.00 0.00 179.25 182.09 1dxt h GLN 54 N 0.00 0.94 -0.24 0.00 4.20 -1.88 0.29 115.11 118.43 1dxt h GLN 54 Ca -0.00 -0.41 -0.09 0.00 0.06 0.00 0.00 58.65 58.20 1dxt h GLN 54 Cb 0.69 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.44 1dxt h GLN 54 CO 0.04 1.08 -0.21 0.28 -0.67 0.00 0.00 178.83 179.34 1dxt h VAL 55 N 0.78 1.32 -0.43 -0.54 2.07 -1.73 -0.73 116.25 116.98 1dxt h VAL 55 Ca 0.10 -1.37 0.04 0.00 0.82 0.00 0.00 66.70 66.29 1dxt h VAL 55 Cb 0.80 1.68 -0.04 0.00 -1.52 0.00 0.00 31.29 32.20 1dxt h VAL 55 CO 0.07 0.42 0.21 0.11 0.02 0.00 0.00 177.57 178.40 1dxt h LYS 56 N 0.26 0.41 -0.39 1.57 1.57 -1.07 0.42 116.57 119.34 1dxt h LYS 56 Ca 0.04 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 1dxt h LYS 56 Cb 0.76 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.96 1dxt h LYS 56 CO 0.05 0.27 0.13 0.78 -0.57 0.00 0.00 179.45 180.12 1dxt h GLY 57 N 0.42 0.65 1.04 3.86 0.00 -0.85 -1.67 103.07 106.52 1dxt h GLY 57 Ca 0.19 -0.38 -0.07 0.00 0.00 0.00 0.00 47.33 47.07 1dxt h GLY 57 CO -0.14 0.35 0.08 0.84 0.00 0.00 0.00 176.54 177.68 1dxt h HIS 58 N 0.49 1.07 -0.81 5.60 -0.00 -0.84 -2.44 115.15 118.21 1dxt h HIS 58 Ca 0.13 -0.15 0.10 0.00 -0.00 0.00 0.00 60.37 60.44 1dxt h HIS 58 Cb 0.24 -0.29 -0.07 0.00 -0.00 0.00 0.00 27.41 27.29 1dxt h HIS 58 CO 0.01 0.93 0.46 0.78 -0.00 0.00 0.00 177.93 180.10 1dxt h GLY 59 N 0.90 1.26 1.05 5.26 0.00 0.11 -0.92 103.07 110.72 1dxt h GLY 59 Ca 0.18 -0.30 -0.06 0.00 0.00 0.00 0.00 47.33 47.15 1dxt h GLY 59 CO 0.01 0.11 0.22 1.70 0.00 0.00 0.00 176.54 178.59 1dxt h LYS 60 N 0.76 1.11 -0.34 4.80 3.11 -0.97 -1.07 116.57 123.96 1dxt h LYS 60 Ca 0.40 -0.24 -0.03 0.00 -2.81 0.00 0.00 60.65 57.96 1dxt h LYS 60 Cb 0.38 -0.16 -0.01 0.00 -1.00 0.00 0.00 32.23 31.43 1dxt h LYS 60 CO -0.25 0.96 0.09 0.87 -2.81 0.00 0.00 179.45 178.30 1dxt h LYS 61 N 1.05 0.55 -0.65 1.90 1.57 -0.89 0.12 116.57 120.22 1dxt h LYS 61 Ca 0.23 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1dxt h LYS 61 Cb 0.31 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.52 1dxt h LYS 61 CO -0.01 0.60 0.42 0.28 -0.57 0.00 0.00 179.45 180.17 1dxt h VAL 62 N 0.40 1.18 -0.38 0.50 2.07 -1.00 -1.45 116.25 117.56 1dxt h VAL 62 Ca 0.11 -0.34 -0.03 0.00 0.82 0.00 0.00 66.70 67.25 1dxt h VAL 62 Cb 0.29 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.29 1dxt h VAL 62 CO 0.00 0.17 0.11 0.00 0.02 0.00 0.00 177.57 177.87 1dxt h ALA 63 N 1.23 0.50 -0.85 1.67 0.00 -0.94 -2.21 119.26 118.66 1dxt h ALA 63 Ca 0.24 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1dxt h ALA 63 Cb -0.08 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 1dxt h ALA 63 CO -0.05 0.16 0.43 -0.44 0.00 0.00 0.00 179.25 179.36 1dxt h ASP 64 N 0.47 1.09 -0.81 0.00 3.32 -0.59 -0.03 116.42 119.88 1dxt h ASP 64 Ca 0.12 -0.12 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 1dxt h ASP 64 Cb 0.28 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.51 1dxt h ASP 64 CO -0.00 0.90 0.44 0.00 -1.72 0.00 0.00 179.24 178.87 1dxt h ALA 65 N 1.27 1.25 -0.41 3.45 0.00 -0.89 -1.63 119.26 122.29 1dxt h ALA 65 Ca 0.30 -0.12 -0.15 0.00 0.00 0.00 0.00 54.91 54.94 1dxt h ALA 65 Cb 0.08 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1dxt h ALA 65 CO -0.04 0.61 -0.32 -0.07 0.00 0.00 0.00 179.25 179.43 1dxt h LEU 66 N 1.14 0.98 -0.78 0.00 4.07 -0.83 -0.75 115.31 119.14 1dxt h LEU 66 Ca 0.29 -0.42 -0.01 0.00 0.08 0.00 0.00 57.88 57.82 1dxt h LEU 66 Cb 0.03 -0.27 -0.04 0.00 1.08 0.00 0.00 40.66 41.46 1dxt h LEU 66 CO -0.05 1.21 0.44 0.74 -1.08 0.00 0.00 178.44 179.71 1dxt h THR 67 N 0.78 1.23 -0.50 0.22 2.02 -0.68 0.12 112.91 116.10 1dxt h THR 67 Ca 0.08 -0.55 -0.00 0.00 0.77 0.00 0.00 66.41 66.70 1dxt h THR 67 Cb 0.90 0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 67.46 1dxt h THR 67 CO 0.08 0.25 0.30 -1.13 0.37 0.00 0.00 175.52 175.39 1dxt h ASN 68 N 1.08 0.61 -0.64 4.18 -1.24 -1.00 -1.65 115.58 116.93 1dxt h ASN 68 Ca 0.28 -0.07 -0.02 0.00 0.71 0.00 0.00 56.30 57.20 1dxt h ASN 68 Cb 0.01 -0.15 -0.03 0.00 0.73 0.00 0.00 38.32 38.88 1dxt h ASN 68 CO -0.05 0.50 0.32 0.00 -1.29 0.00 0.00 177.43 176.91 1dxt h ALA 69 N 1.14 0.82 -0.46 1.57 0.00 -0.56 -1.63 119.26 120.15 1dxt h ALA 69 Ca 0.18 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1dxt h ALA 69 Cb 0.01 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 1dxt h ALA 69 CO -0.03 0.37 0.29 0.28 0.00 0.00 0.00 179.25 180.16 1dxt h VAL 70 N 0.88 1.08 0.00 0.00 2.07 -0.40 -0.58 116.25 119.30 1dxt h VAL 70 Ca 0.22 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.52 1dxt h VAL 70 Cb 0.10 0.45 -0.00 0.00 -1.52 0.00 0.00 31.29 30.32 1dxt h VAL 70 CO -0.03 0.11 -0.11 0.00 0.02 0.00 0.00 177.57 177.56 1dxt h ALA 71 N 1.19 1.60 -0.22 1.67 0.00 -1.02 -2.92 119.26 119.56 1dxt h ALA 71 Ca 0.18 -0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.84 1dxt h ALA 71 Cb -0.03 -0.02 -0.10 0.00 0.00 0.00 0.00 17.79 17.65 1dxt h ALA 71 CO -0.06 0.14 -0.43 0.72 0.00 0.00 0.00 179.25 179.62 1dxt n HIS 72 N -4.08 0.74 0.03 0.00 -0.00 -0.64 -4.85 115.22 106.42 1dxt n HIS 72 Ca -0.02 -1.67 0.21 0.00 -0.00 0.00 0.00 57.72 56.24 1dxt n HIS 72 Cb 0.19 -0.34 0.73 0.00 -0.00 0.00 0.00 29.99 30.57 1dxt n HIS 72 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.34 176.10 1dxt h VAL 73 N 1.18 0.55 0.00 1.59 3.04 -0.91 0.64 116.25 122.35 1dxt h VAL 73 Ca 0.12 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.81 1dxt h VAL 73 Cb 1.24 0.69 0.00 0.00 -2.01 0.00 0.00 31.29 31.21 1dxt h VAL 73 CO 0.24 0.00 -0.45 0.47 -1.01 0.00 0.00 177.57 176.82 1dxt n ASP 74 N -4.07 0.57 -2.58 3.17 8.00 -1.26 -4.22 116.55 116.16 1dxt n ASP 74 Ca 0.09 0.10 -0.16 0.00 0.71 0.00 0.00 54.79 55.53 1dxt n ASP 74 Cb 0.63 0.01 0.02 0.00 -0.02 0.00 0.00 41.12 41.76 1dxt n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1dxt n ASP 75 N -1.87 2.79 -0.04 -2.24 2.03 0.22 -4.97 116.55 112.46 1dxt n ASP 75 Ca 0.05 -3.10 -0.10 0.00 0.52 0.00 0.00 54.79 52.15 1dxt n ASP 75 Cb 0.40 -0.50 -0.04 0.00 -0.72 0.00 0.00 41.12 40.26 1dxt n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1dxt h MET 76 N 2.81 0.25 -0.87 -0.67 2.86 -1.54 -2.67 114.93 115.09 1dxt h MET 76 Ca 0.06 -0.02 0.09 0.00 -2.06 0.00 0.00 59.70 57.77 1dxt h MET 76 Cb 1.09 -0.05 -0.06 0.00 0.06 0.00 0.00 31.60 32.64 1dxt h MET 76 CO 0.63 0.22 0.56 -1.35 1.06 0.00 0.00 176.91 178.03 1dxt h PRO 77 N 0.20 0.86 0.00 -0.22 0.11 -1.93 0.74 132.00 131.77 1dxt h PRO 77 Ca 0.06 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 66.06 1dxt h PRO 77 Cb 0.04 -0.19 0.01 0.00 0.11 0.00 0.00 31.00 30.96 1dxt h PRO 77 CO -0.01 0.57 -0.25 -0.91 -0.21 0.00 0.00 178.00 177.18 1dxt h ASN 78 N 0.88 0.22 -0.53 -2.05 4.21 -1.96 -2.10 115.58 114.26 1dxt h ASN 78 Ca 0.39 -0.79 0.00 0.00 1.21 0.00 0.00 56.30 57.12 1dxt h ASN 78 Cb 0.35 -0.07 -0.03 0.00 -1.12 0.00 0.00 38.32 37.46 1dxt h ASN 78 CO -0.16 0.98 0.34 0.00 -1.29 0.00 0.00 177.43 177.30 1dxt h ALA 79 N 0.25 1.59 -0.68 -0.83 0.00 -1.19 -2.41 119.26 116.00 1dxt h ALA 79 Ca -0.03 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1dxt h ALA 79 Cb 1.02 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1dxt h ALA 79 CO 0.05 0.37 0.00 1.28 0.00 0.00 0.00 179.25 180.95 1dxt n LEU 80 N -4.44 4.47 -0.11 0.00 4.77 0.23 -4.69 117.00 117.22 1dxt n LEU 80 Ca 0.05 -2.29 -0.05 0.00 -0.03 0.00 0.00 56.01 53.69 1dxt n LEU 80 Cb 0.06 -0.54 0.01 0.00 -2.33 0.00 0.00 43.42 40.62 1dxt n LEU 80 CO 0.36 0.88 0.76 -1.28 -1.33 0.00 0.00 177.39 176.78 1dxt h SER 81 N 4.13 -0.49 0.05 -1.43 0.87 -0.84 0.25 113.55 116.10 1dxt h SER 81 Ca 0.00 0.13 -0.08 0.00 -1.23 0.00 0.00 61.79 60.62 1dxt h SER 81 Cb 1.29 0.29 -0.01 0.00 -0.44 0.00 0.00 62.40 63.52 1dxt h SER 81 CO 0.15 -0.17 -0.23 0.00 -0.53 0.00 0.00 176.83 176.04 1dxt h ALA 82 N 1.29 1.28 -0.08 6.23 0.00 -1.84 -1.51 119.26 124.64 1dxt h ALA 82 Ca 0.19 -0.30 -0.18 0.00 0.00 0.00 0.00 54.91 54.62 1dxt h ALA 82 Cb 0.35 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1dxt h ALA 82 CO -0.43 0.48 -0.72 1.25 0.00 0.00 0.00 179.25 179.83 1dxt h LEU 83 N 0.28 0.46 -0.71 0.00 5.85 -1.72 -0.56 115.31 118.92 1dxt h LEU 83 Ca 0.05 -0.30 -0.11 0.00 0.84 0.00 0.00 57.88 58.35 1dxt h LEU 83 Cb 0.57 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 1dxt h LEU 83 CO 0.04 1.03 -0.21 0.77 -0.34 0.00 0.00 178.44 179.74 1dxt h SER 84 N 0.27 0.78 -0.18 1.25 4.64 -0.64 -1.30 113.55 118.37 1dxt h SER 84 Ca -0.03 -0.27 -0.01 0.00 -0.47 0.00 0.00 61.79 61.01 1dxt h SER 84 Cb 1.29 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 63.16 1dxt h SER 84 CO 0.12 0.97 0.08 0.44 -0.87 0.00 0.00 176.83 177.57 1dxt h ASP 85 N 0.68 0.24 -0.28 4.97 3.32 -1.16 -1.74 116.42 122.44 1dxt h ASP 85 Ca 0.10 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 57.00 1dxt h ASP 85 Cb 0.71 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.19 1dxt h ASP 85 CO 0.05 0.32 0.19 0.25 -1.72 0.00 0.00 179.24 178.33 1dxt h LEU 86 N 0.14 0.32 -0.31 1.55 5.85 -0.88 -0.63 115.31 121.35 1dxt h LEU 86 Ca 0.06 -0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.66 1dxt h LEU 86 Cb 0.15 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 1dxt h LEU 86 CO -0.01 0.23 -0.23 0.45 -0.34 0.00 0.00 178.44 178.55 1dxt h HIS 87 N 0.38 0.82 -0.43 1.25 3.86 -1.21 -1.36 115.15 118.47 1dxt h HIS 87 Ca 0.10 -0.23 -0.07 0.00 -1.16 0.00 0.00 60.37 59.01 1dxt h HIS 87 Cb -0.04 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 28.23 1dxt h HIS 87 CO -0.06 0.96 -0.02 0.00 0.86 0.00 0.00 177.93 179.67 1dxt h ALA 88 N 0.73 0.58 0.00 2.45 0.00 -1.21 0.55 119.26 122.37 1dxt h ALA 88 Ca 0.06 -0.28 -0.14 0.00 0.00 0.00 0.00 54.91 54.55 1dxt h ALA 88 Cb 0.79 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 1dxt h ALA 88 CO 0.06 0.38 -2.15 0.72 0.00 0.00 0.00 179.25 178.26 1dxt n HIS 89 N -4.39 0.00 0.01 0.00 8.25 -0.25 -4.58 115.22 114.26 1dxt n HIS 89 Ca -0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.44 1dxt n HIS 89 Cb 0.31 -0.69 -0.00 0.00 1.12 0.00 0.00 29.99 30.72 1dxt n HIS 89 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1dxt n LYS 90 N -2.45 0.07 -0.14 -0.41 4.81 -0.59 -4.85 118.16 114.60 1dxt n LYS 90 Ca -0.15 0.03 -0.10 0.00 -0.87 0.00 0.00 58.31 57.22 1dxt n LYS 90 Cb 0.79 -0.49 -0.01 0.00 0.02 0.00 0.00 35.03 35.35 1dxt n LYS 90 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1dxt h LEU 91 N -0.13 0.65 -2.09 3.14 3.38 -1.45 -3.47 115.31 115.34 1dxt h LEU 91 Ca 0.00 -0.24 -0.43 0.00 0.09 0.00 0.00 57.88 57.30 1dxt h LEU 91 Cb 0.13 -0.17 0.04 0.00 0.09 0.00 0.00 40.66 40.75 1dxt h LEU 91 CO 0.00 0.72 -0.86 0.54 0.09 0.00 0.00 178.44 178.93 1dxt n ARG 92 N -4.53 -3.77 -2.58 1.13 1.74 0.19 -4.92 116.66 103.93 1dxt n ARG 92 Ca -0.00 0.55 -0.42 0.00 -0.77 0.00 0.00 57.85 57.21 1dxt n ARG 92 Cb 0.22 -4.87 -0.03 0.00 -1.02 0.00 0.00 32.46 26.76 1dxt n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1dxt s VAL 93 N -3.70 4.50 0.27 1.55 1.01 -1.26 -4.98 120.40 117.80 1dxt s VAL 93 Ca 0.10 1.80 -0.30 0.00 0.00 0.00 0.00 61.98 63.57 1dxt s VAL 93 Cb -0.03 -4.15 -0.13 0.00 0.00 0.00 0.00 36.38 32.07 1dxt s VAL 93 CO 0.84 0.11 1.48 -0.67 0.00 0.00 0.00 175.10 176.86 1dxt n ASP 94 N 4.14 3.23 0.02 3.32 -0.08 -1.26 -4.82 116.55 121.11 1dxt n ASP 94 Ca 0.08 1.15 0.22 0.00 -1.51 0.00 0.00 54.79 54.73 1dxt n ASP 94 Cb 0.49 -1.50 0.73 0.00 2.34 0.00 0.00 41.12 43.17 1dxt n ASP 94 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1dxt h PRO 95 N 4.32 0.00 -0.52 -0.67 0.11 -2.00 -1.40 132.00 131.84 1dxt h PRO 95 Ca -0.46 0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.71 1dxt h PRO 95 Cb 1.25 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.33 1dxt h PRO 95 CO 0.76 0.00 0.35 0.28 -0.21 0.00 0.00 178.00 179.18 1dxt h VAL 96 N 0.00 0.97 0.00 3.15 2.07 -2.03 -2.72 116.25 117.69 1dxt h VAL 96 Ca 0.25 -0.15 -0.03 0.00 0.82 0.00 0.00 66.70 67.59 1dxt h VAL 96 Cb 1.19 0.48 -0.00 0.00 -1.52 0.00 0.00 31.29 31.43 1dxt h VAL 96 CO -0.00 0.08 -0.14 0.78 0.02 0.00 0.00 177.57 178.31 1dxt h ASN 97 N 0.45 0.00 -0.29 0.57 4.21 -1.61 -2.85 115.58 116.06 1dxt h ASN 97 Ca 0.23 0.00 -0.06 0.00 1.21 0.00 0.00 56.30 57.68 1dxt h ASN 97 Cb 0.33 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.51 1dxt h ASN 97 CO -0.06 0.14 0.01 -0.26 -1.29 0.00 0.00 177.43 175.97 1dxt h PHE 98 N 0.00 0.64 -0.06 1.19 -1.00 -1.66 -1.30 116.94 114.76 1dxt h PHE 98 Ca -0.00 -0.07 -0.11 0.00 2.81 0.00 0.00 57.97 60.60 1dxt h PHE 98 Cb 0.41 -0.18 -0.01 0.00 3.61 0.00 0.00 35.95 39.78 1dxt h PHE 98 CO 0.00 0.61 -0.47 1.57 -1.61 0.00 0.00 178.31 178.41 1dxt h LYS 99 N 0.59 0.14 -0.10 1.51 2.10 -1.67 -1.37 116.57 117.76 1dxt h LYS 99 Ca 0.12 -0.07 -0.07 0.00 -2.00 0.00 0.00 60.65 58.64 1dxt h LYS 99 Cb 0.36 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.69 1dxt h LYS 99 CO 0.01 0.58 -0.19 -0.07 -2.00 0.00 0.00 179.45 177.78 1dxt h LEU 100 N 0.11 0.35 -0.59 7.07 3.38 -1.45 -1.48 115.31 122.70 1dxt h LEU 100 Ca 0.00 -0.55 -0.03 0.00 0.09 0.00 0.00 57.88 57.40 1dxt h LEU 100 Cb 0.88 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.50 1dxt h LEU 100 CO 0.07 0.83 0.26 0.25 0.09 0.00 0.00 178.44 179.95 1dxt h LEU 101 N -0.12 0.79 -0.30 1.67 6.46 -1.14 -2.39 115.31 120.28 1dxt h LEU 101 Ca 0.01 -0.15 0.06 0.00 -0.12 0.00 0.00 57.88 57.68 1dxt h LEU 101 Cb 0.77 -0.20 -0.06 0.00 -0.73 0.00 0.00 40.66 40.44 1dxt h LEU 101 CO 0.04 0.72 -0.08 0.28 -0.62 0.00 0.00 178.44 178.79 1dxt h SER 102 N 0.81 -0.28 -0.56 1.25 0.02 -1.22 0.21 113.55 113.78 1dxt h SER 102 Ca 0.20 0.09 0.02 0.00 -0.84 0.00 0.00 61.79 61.26 1dxt h SER 102 Cb 0.15 0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.85 1dxt h SER 102 CO -0.02 -0.10 0.35 -0.74 -1.14 0.00 0.00 176.83 175.18 1dxt h HIS 103 N -0.00 0.66 -0.22 3.45 -0.00 -1.10 -1.26 115.15 116.68 1dxt h HIS 103 Ca 0.15 0.02 -0.06 0.00 -0.00 0.00 0.00 60.37 60.48 1dxt h HIS 103 Cb 0.22 -0.22 -0.01 0.00 -0.00 0.00 0.00 27.41 27.40 1dxt h HIS 103 CO -0.29 0.40 -0.11 0.00 -0.00 0.00 0.00 177.93 177.93 1dxt h LEU 105 N 0.34 0.73 -0.39 0.00 5.85 -0.13 -1.97 115.31 119.74 1dxt h LEU 105 Ca 0.07 -0.32 0.00 0.00 0.84 0.00 0.00 57.88 58.47 1dxt h LEU 105 Cb 0.41 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 1dxt h LEU 105 CO 0.02 0.88 0.24 0.25 -0.34 0.00 0.00 178.44 179.49 1dxt h LEU 106 N 0.57 0.46 -0.79 2.25 5.85 -0.65 -0.17 115.31 122.83 1dxt h LEU 106 Ca 0.11 -0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.81 1dxt h LEU 106 Cb 0.52 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.39 1dxt h LEU 106 CO 0.03 0.36 0.53 0.58 -0.34 0.00 0.00 178.44 179.59 1dxt h VAL 107 N 0.51 1.20 -0.34 1.05 2.07 -1.09 -0.52 116.25 119.14 1dxt h VAL 107 Ca 0.14 -0.37 -0.02 0.00 0.82 0.00 0.00 66.70 67.28 1dxt h VAL 107 Cb -0.03 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 29.77 1dxt h VAL 107 CO -0.03 0.20 0.15 0.74 0.02 0.00 0.00 177.57 178.65 1dxt h THR 108 N 1.07 1.17 -0.34 2.57 2.02 -0.99 -1.14 112.91 117.28 1dxt h THR 108 Ca 0.29 -0.52 -0.02 0.00 0.77 0.00 0.00 66.41 66.93 1dxt h THR 108 Cb -0.12 0.89 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 1dxt h THR 108 CO -0.06 0.19 0.14 -0.07 0.37 0.00 0.00 175.52 176.08 1dxt h LEU 109 N 0.41 0.47 -0.93 2.58 4.07 -0.69 -2.73 115.31 118.49 1dxt h LEU 109 Ca 0.12 -0.16 0.10 0.00 0.08 0.00 0.00 57.88 58.02 1dxt h LEU 109 Cb 0.15 -0.12 -0.08 0.00 1.08 0.00 0.00 40.66 41.69 1dxt h LEU 109 CO -0.01 0.50 0.56 0.00 -1.08 0.00 0.00 178.44 178.41 1dxt h ALA 110 N 0.99 1.35 0.00 1.53 0.00 -0.86 0.31 119.26 122.59 1dxt h ALA 110 Ca 0.12 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1dxt h ALA 110 Cb 0.17 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1dxt h ALA 110 CO -0.01 0.20 0.00 0.00 0.00 0.00 0.00 179.25 179.44 1dxt h ALA 111 N 1.49 1.00 0.00 0.00 0.00 -0.94 -3.30 119.26 117.51 1dxt h ALA 111 Ca 0.45 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.35 1dxt h ALA 111 Cb 0.39 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1dxt h ALA 111 CO -0.25 0.00 -1.30 0.72 0.00 0.00 0.00 179.25 178.43 1dxt n HIS 112 N -2.75 0.00 -3.15 0.00 -0.00 -0.69 -4.80 115.22 103.82 1dxt n HIS 112 Ca 0.02 0.00 -0.28 0.00 -0.00 0.00 0.00 57.72 57.46 1dxt n HIS 112 Cb 0.33 -0.15 -0.06 0.00 -0.00 0.00 0.00 29.99 30.12 1dxt n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1dxt n LEU 113 N -1.74 4.30 -0.04 2.41 4.77 0.10 -4.95 117.00 121.85 1dxt n LEU 113 Ca -0.01 -5.56 -0.15 0.00 -0.03 0.00 0.00 56.01 50.26 1dxt n LEU 113 Cb 0.19 -0.65 -0.10 0.00 -2.33 0.00 0.00 43.42 40.53 1dxt n LEU 113 CO 0.13 2.20 0.51 1.55 -1.33 0.00 0.00 177.39 180.45 1dxt h PRO 114 N 3.62 -0.51 -0.65 3.23 0.13 -1.82 -0.68 132.00 135.32 1dxt h PRO 114 Ca 0.18 0.03 0.02 0.00 -0.87 0.00 0.00 66.00 65.36 1dxt h PRO 114 Cb 0.57 0.12 -0.04 0.00 0.13 0.00 0.00 31.00 31.78 1dxt h PRO 114 CO 0.85 -0.34 0.41 0.00 -0.23 0.00 0.00 178.00 178.69 1dxt h ALA 115 N -0.20 0.84 0.00 -0.56 0.00 -1.94 -3.13 119.26 114.27 1dxt h ALA 115 Ca 0.05 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 1dxt h ALA 115 Cb 0.66 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1dxt h ALA 115 CO -0.48 0.17 -0.75 0.93 0.00 0.00 0.00 179.25 179.13 1dxt h GLU 116 N 0.80 0.00 -2.82 0.00 4.39 -1.92 -3.39 114.58 111.64 1dxt h GLU 116 Ca 0.26 0.00 -0.41 0.00 0.34 0.00 0.00 59.36 59.54 1dxt h GLU 116 Cb -0.00 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.64 1dxt h GLU 116 CO -0.09 0.51 2.10 0.34 -1.16 0.00 0.00 179.01 180.70 1dxt n PHE 117 N -3.17 1.29 -1.20 4.33 7.35 -0.28 -4.74 117.46 121.04 1dxt n PHE 117 Ca -0.01 -2.15 -0.31 0.00 -0.76 0.00 0.00 57.45 54.23 1dxt n PHE 117 Cb 0.78 -1.89 0.11 0.00 0.35 0.00 0.00 39.48 38.83 1dxt n PHE 117 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 1dxt s THR 118 N 2.20 3.06 0.23 -2.13 2.01 -1.26 -4.74 115.64 115.01 1dxt s THR 118 Ca 0.57 0.34 -0.07 0.00 0.31 0.00 0.00 61.69 62.84 1dxt s THR 118 Cb 0.19 -2.79 0.19 0.00 0.01 0.00 0.00 72.50 70.10 1dxt s THR 118 CO -0.03 -0.45 1.85 -0.65 -0.69 0.00 0.00 174.62 174.66 1dxt h PRO 119 N -1.31 0.92 -0.67 4.92 0.11 -1.99 0.45 132.00 134.45 1dxt h PRO 119 Ca -0.45 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 65.56 1dxt h PRO 119 Cb 1.25 -0.21 -0.03 0.00 0.11 0.00 0.00 31.00 32.12 1dxt h PRO 119 CO 0.51 0.61 0.25 0.00 -0.21 0.00 0.00 178.00 179.17 1dxt h ALA 120 N 1.36 0.87 -0.36 -0.75 0.00 -1.96 -1.41 119.26 117.02 1dxt h ALA 120 Ca 0.34 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.93 1dxt h ALA 120 Cb 0.09 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1dxt h ALA 120 CO -0.14 0.50 -0.29 0.28 0.00 0.00 0.00 179.25 179.60 1dxt h VAL 121 N 0.95 1.28 -0.45 0.00 2.07 -1.70 -2.03 116.25 116.38 1dxt h VAL 121 Ca 0.22 -1.46 0.07 0.00 0.82 0.00 0.00 66.70 66.35 1dxt h VAL 121 Cb 0.23 1.42 -0.06 0.00 -1.52 0.00 0.00 31.29 31.36 1dxt h VAL 121 CO -0.02 0.48 0.11 -0.74 0.02 0.00 0.00 177.57 177.42 1dxt h HIS 122 N 0.62 0.18 -0.27 1.57 6.17 0.07 0.02 115.15 123.51 1dxt h HIS 122 Ca 0.06 0.03 -0.01 0.00 0.71 0.00 0.00 60.37 61.16 1dxt h HIS 122 Cb 0.87 -0.01 -0.01 0.00 2.52 0.00 0.00 27.41 30.78 1dxt h HIS 122 CO 0.06 0.03 0.13 0.00 0.71 0.00 0.00 177.93 178.87 1dxt h ALA 123 N 1.33 0.34 -0.81 5.26 0.00 -1.09 -1.21 119.26 123.09 1dxt h ALA 123 Ca 0.22 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1dxt h ALA 123 Cb 0.27 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1dxt h ALA 123 CO -0.27 -0.11 0.49 0.77 0.00 0.00 0.00 179.25 180.13 1dxt h SER 124 N 0.30 0.98 -0.51 0.00 0.02 -0.76 -1.65 113.55 111.94 1dxt h SER 124 Ca 0.09 -0.07 -0.04 0.00 -0.84 0.00 0.00 61.79 60.94 1dxt h SER 124 Cb 0.10 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.37 1dxt h SER 124 CO -0.01 0.76 0.16 -0.07 -1.14 0.00 0.00 176.83 176.53 1dxt h LEU 125 N 1.12 0.73 -0.44 5.07 3.38 -0.79 -0.47 115.31 123.90 1dxt h LEU 125 Ca 0.29 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1dxt h LEU 125 Cb -0.04 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 1dxt h LEU 125 CO -0.05 0.74 0.28 -0.78 0.09 0.00 0.00 178.44 178.72 1dxt h ASP 126 N 0.69 0.51 -0.60 -0.43 3.58 -0.75 0.50 116.42 119.92 1dxt h ASP 126 Ca 0.16 -0.03 -0.01 0.00 0.42 0.00 0.00 57.03 57.57 1dxt h ASP 126 Cb 0.27 -0.13 -0.03 0.00 1.72 0.00 0.00 39.33 41.16 1dxt h ASP 126 CO -0.01 0.39 0.32 0.11 -2.88 0.00 0.00 179.24 177.17 1dxt h LYS 127 N 0.59 0.84 0.14 0.28 1.57 -1.14 -1.81 116.57 117.05 1dxt h LYS 127 Ca 0.16 -0.10 -0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1dxt h LYS 127 Cb -0.05 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.10 1dxt h LYS 127 CO -0.03 0.65 -0.10 0.35 -0.57 0.00 0.00 179.45 179.75 1dxt h PHE 128 N 0.81 -0.26 -0.36 -1.35 3.57 -0.62 -0.64 116.94 118.09 1dxt h PHE 128 Ca 0.21 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.68 1dxt h PHE 128 Cb 0.06 0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.87 1dxt h PHE 128 CO -0.01 -0.16 0.10 -0.07 -2.23 0.00 0.00 178.31 175.94 1dxt h LEU 129 N -0.24 0.48 -0.75 0.59 3.38 -0.80 -0.54 115.31 117.42 1dxt h LEU 129 Ca -0.01 -0.06 -0.10 0.00 0.09 0.00 0.00 57.88 57.80 1dxt h LEU 129 Cb 0.21 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1dxt h LEU 129 CO -0.00 0.48 -0.16 0.00 0.09 0.00 0.00 178.44 178.85 1dxt h ALA 130 N 1.59 0.94 -0.20 1.53 0.00 -1.06 0.46 119.26 122.52 1dxt h ALA 130 Ca 0.12 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1dxt h ALA 130 Cb 0.18 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1dxt h ALA 130 CO -0.01 0.62 0.03 0.77 0.00 0.00 0.00 179.25 180.66 1dxt h SER 131 N 0.70 0.31 -0.36 0.00 0.02 -0.22 -0.07 113.55 113.94 1dxt h SER 131 Ca 0.11 -0.26 0.04 0.00 -0.84 0.00 0.00 61.79 60.84 1dxt h SER 131 Cb 0.65 -0.08 -0.04 0.00 0.14 0.00 0.00 62.40 63.07 1dxt h SER 131 CO 0.05 0.49 0.13 0.58 -1.14 0.00 0.00 176.83 176.94 1dxt h VAL 132 N 0.12 0.91 -0.70 2.27 2.07 -0.98 -1.14 116.25 118.79 1dxt h VAL 132 Ca 0.06 -0.10 0.06 0.00 0.82 0.00 0.00 66.70 67.54 1dxt h VAL 132 Cb 0.31 0.60 -0.05 0.00 -1.52 0.00 0.00 31.29 30.63 1dxt h VAL 132 CO 0.00 0.05 0.40 0.28 0.02 0.00 0.00 177.57 178.33 1dxt h SER 133 N 0.28 0.61 -0.41 0.57 0.02 -0.74 -0.20 113.55 113.69 1dxt h SER 133 Ca 0.16 0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.13 1dxt h SER 133 Cb 0.13 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.55 1dxt h SER 133 CO -0.16 0.40 0.25 0.74 -1.14 0.00 0.00 176.83 176.92 1dxt h THR 134 N 0.75 1.13 -0.17 -2.27 2.02 -0.51 -2.57 112.91 111.29 1dxt h THR 134 Ca 0.31 -0.28 -0.01 0.00 0.77 0.00 0.00 66.41 67.20 1dxt h THR 134 Cb 0.17 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 67.15 1dxt h THR 134 CO -0.17 0.13 0.06 0.58 0.37 0.00 0.00 175.52 176.49 1dxt h VAL 135 N 0.54 1.17 0.00 3.16 2.07 -0.82 -2.03 116.25 120.33 1dxt h VAL 135 Ca 0.15 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 67.16 1dxt h VAL 135 Cb -0.01 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1dxt h VAL 135 CO -0.03 0.16 0.00 -0.07 0.02 0.00 0.00 177.57 177.65 1dxt h LEU 136 N 0.11 0.00 -1.60 2.57 3.38 -0.82 -2.01 115.31 116.94 1dxt h LEU 136 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1dxt h LEU 136 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1dxt h LEU 136 CO -0.00 0.00 0.00 0.41 0.09 0.00 0.00 178.44 178.94 1dxt n THR 137 N -2.65 0.18 -0.20 0.22 -1.04 -0.99 -4.48 114.28 105.32 1dxt n THR 137 Ca -0.01 -0.59 0.14 0.00 -2.04 0.00 0.00 64.05 61.54 1dxt n THR 137 Cb 0.09 1.04 0.45 0.00 -1.82 0.00 0.00 70.33 70.10 1dxt n THR 137 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1dxt h SER 138 N 1.51 0.50 -0.38 8.00 0.02 -0.61 -2.85 113.55 119.74 1dxt h SER 138 Ca 0.00 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1dxt h SER 138 Cb 0.39 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.86 1dxt h SER 138 CO 0.00 0.26 0.00 0.29 -1.14 0.00 0.00 176.83 176.24 1dxt n LYS 139 N -4.51 3.40 -0.07 3.45 5.02 -1.26 -4.65 118.16 119.55 1dxt n LYS 139 Ca 0.15 -2.80 0.02 0.00 -2.02 0.00 0.00 58.31 53.67 1dxt n LYS 139 Cb 0.50 -1.85 0.35 0.00 -0.02 0.00 0.00 35.03 34.01 1dxt n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1dxt h TYR 140 N 2.55 0.66 0.00 2.13 -1.99 -1.82 -3.46 116.97 115.05 1dxt h TYR 140 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1dxt h TYR 140 Cb 1.45 -0.22 0.00 0.00 2.00 0.00 0.00 36.73 39.96 1dxt h TYR 140 CO 0.61 0.44 0.00 2.89 -0.00 0.00 0.00 178.16 182.10