#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 4.35 0.78 7.52 1.43 -1.26 -5.04 118.68 126.46 1dxt s LEU 2 Ca 0.00 1.58 -0.11 0.00 -1.03 0.00 0.00 54.13 54.57 1dxt s LEU 2 Cb 0.00 -3.50 0.07 0.00 0.03 0.00 0.00 46.19 42.79 1dxt s LEU 2 CO 0.00 -0.26 1.14 -0.94 0.23 0.00 0.00 176.35 176.52 1dxt s SER 3 N 0.99 4.68 0.32 2.29 1.04 -1.26 -4.87 113.70 116.89 1dxt s SER 3 Ca 0.49 0.77 0.01 0.00 0.48 0.00 0.00 55.95 57.71 1dxt s SER 3 Cb -0.20 -1.33 0.53 0.00 0.10 0.00 0.00 66.02 65.11 1dxt s SER 3 CO 0.26 -1.78 1.93 -0.65 0.98 0.00 0.00 173.24 173.98 1dxt h PRO 4 N -0.93 0.83 -0.46 4.02 0.11 -1.99 -0.93 132.00 132.64 1dxt h PRO 4 Ca -0.46 -0.10 -0.04 0.00 0.11 0.00 0.00 66.00 65.52 1dxt h PRO 4 Cb 1.32 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 1dxt h PRO 4 CO 0.65 0.64 0.15 0.00 -0.21 0.00 0.00 178.00 179.22 1dxt h ALA 5 N 1.49 0.61 -0.47 -0.75 0.00 -2.00 -1.28 119.26 116.86 1dxt h ALA 5 Ca 0.21 -0.18 0.09 0.00 0.00 0.00 0.00 54.91 55.02 1dxt h ALA 5 Cb 0.08 -0.18 -0.07 0.00 0.00 0.00 0.00 17.79 17.62 1dxt h ALA 5 CO -0.03 0.26 0.04 -0.44 0.00 0.00 0.00 179.25 179.08 1dxt h ASP 6 N 0.61 -0.11 -0.90 0.00 3.32 -1.70 0.22 116.42 117.86 1dxt h ASP 6 Ca 0.15 0.10 0.02 0.00 0.02 0.00 0.00 57.03 57.32 1dxt h ASP 6 Cb 0.27 0.16 -0.05 0.00 0.22 0.00 0.00 39.33 39.93 1dxt h ASP 6 CO -0.00 -0.02 0.60 0.11 -1.72 0.00 0.00 179.24 178.20 1dxt h LYS 7 N 0.16 1.14 -0.46 3.56 1.57 -0.73 -0.70 116.57 121.12 1dxt h LYS 7 Ca 0.24 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.89 1dxt h LYS 7 Cb 0.33 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 1dxt h LYS 7 CO -0.35 0.75 0.06 1.15 -0.57 0.00 0.00 179.45 180.49 1dxt h THR 8 N 1.17 1.25 -0.36 -0.16 2.02 0.03 -1.81 112.91 115.07 1dxt h THR 8 Ca 0.35 -0.94 0.01 0.00 0.77 0.00 0.00 66.41 66.60 1dxt h THR 8 Cb -0.06 0.96 -0.02 0.00 -1.74 0.00 0.00 68.15 67.30 1dxt h THR 8 CO -0.09 0.33 0.23 0.78 0.37 0.00 0.00 175.52 177.13 1dxt h ASN 9 N 0.63 0.38 -0.15 4.18 2.35 -0.39 -1.25 115.58 121.33 1dxt h ASN 9 Ca 0.14 -0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.88 1dxt h ASN 9 Cb 0.41 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.68 1dxt h ASN 9 CO 0.01 0.28 0.07 0.58 -1.65 0.00 0.00 177.43 176.71 1dxt h VAL 10 N 0.46 1.14 -0.25 2.81 2.07 -1.05 -0.30 116.25 121.13 1dxt h VAL 10 Ca 0.14 -0.43 -0.05 0.00 0.82 0.00 0.00 66.70 67.18 1dxt h VAL 10 Cb -0.03 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 1dxt h VAL 10 CO -0.04 0.13 -0.06 0.11 0.02 0.00 0.00 177.57 177.72 1dxt h LYS 11 N 0.10 0.38 0.07 1.57 1.57 -1.22 0.22 116.57 119.27 1dxt h LYS 11 Ca 0.05 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1dxt h LYS 11 Cb 0.15 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.41 1dxt h LYS 11 CO -0.01 0.47 -0.03 0.00 -0.57 0.00 0.00 179.45 179.31 1dxt h ALA 12 N 1.57 -0.09 -0.59 3.86 0.00 -1.01 -0.83 119.26 122.17 1dxt h ALA 12 Ca 0.08 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 1dxt h ALA 12 Cb 0.35 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1dxt h ALA 12 CO 0.02 -0.32 0.21 0.00 0.00 0.00 0.00 179.25 179.16 1dxt h ALA 13 N 0.32 0.77 -0.25 0.00 0.00 -0.76 -2.28 119.26 117.06 1dxt h ALA 13 Ca -0.01 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.61 1dxt h ALA 13 Cb 0.48 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1dxt h ALA 13 CO 0.02 0.42 -0.29 2.35 0.00 0.00 0.00 179.25 181.74 1dxt h TRP 14 N 0.83 0.57 -0.19 0.00 2.91 -0.60 -2.18 115.95 117.29 1dxt h TRP 14 Ca 0.19 -0.13 0.03 0.00 1.13 0.00 0.00 58.89 60.11 1dxt h TRP 14 Cb 0.25 -0.14 -0.03 0.00 -0.51 0.00 0.00 29.16 28.74 1dxt h TRP 14 CO 0.02 0.74 0.01 0.78 -1.03 0.00 0.00 178.44 178.96 1dxt h GLY 15 N 1.04 0.19 1.40 2.65 0.00 -0.87 -1.04 103.07 106.44 1dxt h GLY 15 Ca 0.06 0.01 0.03 0.00 0.00 0.00 0.00 47.33 47.43 1dxt h GLY 15 CO 0.06 -0.02 0.33 1.70 0.00 0.00 0.00 176.54 178.60 1dxt h LYS 16 N 0.08 0.52 -0.02 4.80 3.11 -1.00 -1.99 116.57 122.07 1dxt h LYS 16 Ca 0.09 -0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.90 1dxt h LYS 16 Cb 0.10 -0.12 -0.00 0.00 -1.00 0.00 0.00 32.23 31.21 1dxt h LYS 16 CO -0.14 0.35 0.02 0.28 -2.81 0.00 0.00 179.45 177.15 1dxt h VAL 17 N 0.54 1.01 0.00 2.00 2.07 -0.61 -3.45 116.25 117.81 1dxt h VAL 17 Ca 0.20 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.70 1dxt h VAL 17 Cb 0.12 0.98 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 1dxt h VAL 17 CO -0.05 0.01 0.00 0.61 0.02 0.00 0.00 177.57 178.16 1dxt n GLY 18 N -1.08 3.51 0.00 2.17 0.00 -0.69 -1.92 105.19 107.18 1dxt n GLY 18 Ca -0.07 0.24 0.14 0.00 0.00 0.00 0.00 46.02 46.33 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 11.87 2.38 1.31 4.61 0.00 -1.26 -3.03 120.51 136.40 1dxt n ALA 19 Ca 0.00 -0.12 0.13 0.00 0.00 0.00 0.00 53.44 53.45 1dxt n ALA 19 Cb 0.00 -1.47 0.39 0.00 0.00 0.00 0.00 19.45 18.38 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 -1.36 0.03 -0.27 0.00 -0.00 -0.81 -4.53 115.22 108.28 1dxt n HIS 20 Ca 0.11 -0.02 0.03 0.00 -0.00 0.00 0.00 57.72 57.84 1dxt n HIS 20 Cb 0.27 0.00 0.10 0.00 -0.00 0.00 0.00 29.99 30.36 1dxt n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1dxt h ALA 21 N 4.43 0.55 -0.73 -1.41 0.00 -1.69 0.11 119.26 120.53 1dxt h ALA 21 Ca 0.00 0.30 -0.03 0.00 0.00 0.00 0.00 54.91 55.18 1dxt h ALA 21 Cb 0.64 0.57 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 1dxt h ALA 21 CO 0.00 -0.41 0.34 0.78 0.00 0.00 0.00 179.25 179.95 1dxt h GLY 22 N 0.01 1.13 1.66 0.00 0.00 -1.83 0.34 103.07 104.38 1dxt h GLY 22 Ca 0.38 -0.57 -0.14 0.00 0.00 0.00 0.00 47.33 46.99 1dxt h GLY 22 CO -0.79 0.54 -0.54 -2.09 0.00 0.00 0.00 176.54 173.66 1dxt h GLU 23 N 1.02 0.36 -0.36 4.80 4.81 -1.59 -2.16 114.58 121.46 1dxt h GLU 23 Ca 0.25 -0.23 -0.14 0.00 -0.13 0.00 0.00 59.36 59.11 1dxt h GLU 23 Cb 0.14 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 1dxt h GLU 23 CO -0.03 0.81 -0.34 1.88 -0.73 0.00 0.00 179.01 180.61 1dxt h TYR 24 N 0.28 1.04 -0.81 0.92 0.05 -0.67 -1.72 116.97 116.06 1dxt h TYR 24 Ca 0.01 -0.31 -0.00 0.00 0.05 0.00 0.00 58.73 58.48 1dxt h TYR 24 Cb 1.04 -0.22 -0.04 0.00 1.01 0.00 0.00 36.73 38.52 1dxt h TYR 24 CO 0.03 1.11 0.50 0.78 -1.05 0.00 0.00 178.16 179.52 1dxt h GLY 25 N 0.67 1.17 1.15 3.88 0.00 -0.19 -0.59 103.07 109.16 1dxt h GLY 25 Ca 0.06 -0.48 -0.08 0.00 0.00 0.00 0.00 47.33 46.83 1dxt h GLY 25 CO 0.09 0.46 0.07 0.00 0.00 0.00 0.00 176.54 177.16 1dxt h ALA 26 N 1.27 0.95 -0.47 3.60 0.00 -1.23 -2.22 119.26 121.16 1dxt h ALA 26 Ca 0.29 -0.27 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 1dxt h ALA 26 Cb -0.06 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1dxt h ALA 26 CO -0.06 0.65 -0.23 1.49 0.00 0.00 0.00 179.25 181.11 1dxt h GLU 27 N 0.97 0.98 -0.83 0.00 4.81 -0.99 -1.73 114.58 117.78 1dxt h GLU 27 Ca 0.19 -0.42 -0.01 0.00 -0.13 0.00 0.00 59.36 58.99 1dxt h GLU 27 Cb 0.45 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.76 1dxt h GLU 27 CO 0.02 1.09 0.49 0.00 -0.73 0.00 0.00 179.01 179.88 1dxt h ALA 28 N 0.89 1.06 -0.25 2.92 0.00 -0.94 0.81 119.26 123.75 1dxt h ALA 28 Ca 0.11 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1dxt h ALA 28 Cb 0.80 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1dxt h ALA 28 CO 0.07 0.53 0.10 -0.07 0.00 0.00 0.00 179.25 179.87 1dxt h LEU 29 N 1.14 0.35 -1.06 0.00 3.38 -1.19 -0.80 115.31 117.13 1dxt h LEU 29 Ca 0.30 -0.17 0.04 0.00 0.09 0.00 0.00 57.88 58.13 1dxt h LEU 29 Cb -0.03 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 40.57 1dxt h LEU 29 CO -0.05 0.42 0.63 -0.08 0.09 0.00 0.00 178.44 179.45 1dxt h GLU 30 N 0.25 1.18 -0.55 1.13 4.81 -0.96 -0.18 114.58 120.27 1dxt h GLU 30 Ca 0.08 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 1dxt h GLU 30 Cb 0.19 -0.27 -0.03 0.00 0.63 0.00 0.00 28.75 29.27 1dxt h GLU 30 CO -0.01 0.78 0.27 0.00 -0.73 0.00 0.00 179.01 179.33 1dxt h ARG 31 N 1.22 0.78 -0.20 1.92 3.08 -0.59 -1.97 114.38 118.62 1dxt h ARG 31 Ca 0.39 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 60.32 1dxt h ARG 31 Cb 0.01 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 1dxt h ARG 31 CO -0.12 0.63 0.10 1.98 -1.07 0.00 0.00 179.97 181.49 1dxt h MET 32 N 0.73 0.28 -0.51 0.04 4.05 -0.34 -0.09 114.93 119.09 1dxt h MET 32 Ca 0.19 -0.04 0.01 0.00 -0.28 0.00 0.00 59.70 59.57 1dxt h MET 32 Cb 0.10 -0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 30.83 1dxt h MET 32 CO -0.03 0.30 0.34 0.74 0.23 0.00 0.00 176.91 178.50 1dxt h PHE 33 N 0.19 0.64 0.12 1.39 0.04 -0.95 0.13 116.94 118.51 1dxt h PHE 33 Ca 0.07 0.02 -0.18 0.00 2.80 0.00 0.00 57.97 60.67 1dxt h PHE 33 Cb 0.11 -0.22 0.01 0.00 2.20 0.00 0.00 35.95 38.06 1dxt h PHE 33 CO -0.03 0.40 -0.84 -0.07 -0.60 0.00 0.00 178.31 177.17 1dxt h LEU 34 N 0.69 0.40 -0.08 1.54 3.38 -1.20 -3.29 115.31 116.75 1dxt h LEU 34 Ca 0.19 -0.93 -0.23 0.00 0.09 0.00 0.00 57.88 57.00 1dxt h LEU 34 Cb -0.07 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1dxt h LEU 34 CO -0.04 1.39 -1.03 0.28 0.09 0.00 0.00 178.44 179.13 1dxt h SER 35 N -0.43 0.31 -2.48 -0.43 0.02 -0.88 -3.39 113.55 106.27 1dxt h SER 35 Ca -0.16 -0.29 -0.60 0.00 -0.84 0.00 0.00 61.79 59.90 1dxt h SER 35 Cb 1.59 -0.10 -0.40 0.00 0.14 0.00 0.00 62.40 63.63 1dxt h SER 35 CO 0.12 1.16 -0.80 0.49 -1.14 0.00 0.00 176.83 176.65 1dxt n PHE 36 N -3.58 1.39 0.26 3.45 3.72 0.42 -4.99 117.46 118.14 1dxt n PHE 36 Ca -0.05 -3.84 0.18 0.00 -0.05 0.00 0.00 57.45 53.69 1dxt n PHE 36 Cb 0.91 -0.29 0.92 0.00 -0.94 0.00 0.00 39.48 40.08 1dxt n PHE 36 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1dxt h PRO 37 N 4.95 0.00 0.00 -1.08 0.13 -1.73 0.11 132.00 134.38 1dxt h PRO 37 Ca 0.18 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.31 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 -0.02 0.00 -0.23 0.00 0.00 178.00 178.34 1dxt h THR 38 N 0.00 0.14 0.00 1.56 1.03 -1.91 -0.47 112.91 113.26 1dxt h THR 38 Ca 0.05 -0.25 0.00 0.00 -0.01 0.00 0.00 66.41 66.20 1dxt h THR 38 Cb 0.36 1.21 0.00 0.00 -1.07 0.00 0.00 68.15 68.65 1dxt h THR 38 CO -0.00 0.02 0.00 0.71 -0.01 0.00 0.00 175.52 176.24 1dxt h THR 39 N 0.00 0.00 0.00 0.00 1.35 -1.29 -2.32 112.91 110.65 1dxt h THR 39 Ca -0.00 -0.54 0.00 0.00 -0.55 0.00 0.00 66.41 65.32 1dxt h THR 39 Cb 0.21 1.49 0.00 0.00 -1.73 0.00 0.00 68.15 68.12 1dxt h THR 39 CO 0.00 0.00 0.00 0.11 -0.25 0.00 0.00 175.52 175.38 1dxt h LYS 40 N 0.00 0.00 -0.02 4.72 1.57 -1.25 -2.78 116.57 118.81 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 0.58 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.89 1dxt h LYS 40 CO 0.00 0.00 0.07 1.79 -0.57 0.00 0.00 179.45 180.74 1dxt h THR 41 N 0.00 0.10 -0.00 -0.16 1.35 -1.58 -0.43 112.91 112.19 1dxt h THR 41 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1dxt h THR 41 Cb 0.31 0.93 0.00 0.00 -1.73 0.00 0.00 68.15 67.66 1dxt h THR 41 CO 0.00 0.00 -0.42 -1.22 -0.25 0.00 0.00 175.52 173.63 1dxt n TYR 42 N -3.20 0.00 -2.35 4.73 4.01 -1.05 -4.35 117.16 114.95 1dxt n TYR 42 Ca -0.02 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.49 1dxt n TYR 42 Cb 0.14 -0.17 0.01 0.00 -0.31 0.00 0.00 39.34 39.02 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 -1.07 2.80 0.31 -0.72 3.01 -0.17 -4.83 117.46 116.78 1dxt n PHE 43 Ca 0.08 -2.69 0.16 0.00 1.01 0.00 0.00 57.45 56.02 1dxt n PHE 43 Cb 0.35 -0.21 0.67 0.00 -0.01 0.00 0.00 39.48 40.27 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 2.47 0.00 -0.18 -1.08 0.13 -1.76 -2.75 132.00 128.84 1dxt h PRO 44 Ca 0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.39 1dxt h PRO 44 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1dxt h PRO 44 CO 0.74 0.00 0.00 -2.39 -0.23 0.00 0.00 178.00 176.12 1dxt n HIS 45 N -2.88 0.22 -4.13 1.56 1.44 -1.26 -4.90 115.22 105.27 1dxt n HIS 45 Ca 0.01 -0.11 -0.28 0.00 -2.01 0.00 0.00 57.72 55.33 1dxt n HIS 45 Cb 0.27 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.31 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 -1.78 3.01 -0.49 -1.40 0.40 -1.04 -5.06 117.98 111.62 1dxt s PHE 46 Ca 0.33 -0.05 -0.24 0.00 -0.60 0.00 0.00 56.93 56.37 1dxt s PHE 46 Cb 0.18 -1.49 0.03 0.00 0.51 0.00 0.00 43.02 42.26 1dxt s PHE 46 CO 0.27 0.51 0.88 0.34 0.70 0.00 0.00 175.22 177.92 1dxt s ASP 47 N -2.75 6.41 -0.07 1.36 2.15 -1.26 -4.88 116.67 117.64 1dxt s ASP 47 Ca 0.28 -0.13 0.14 0.00 0.43 0.00 0.00 52.55 53.27 1dxt s ASP 47 Cb -0.11 -2.42 0.52 0.00 -0.30 0.00 0.00 42.92 40.62 1dxt s ASP 47 CO 0.20 -1.06 1.40 0.18 -0.17 0.00 0.00 175.17 175.72 1dxt n LEU 48 N 7.09 3.50 -4.77 -1.34 4.77 -1.26 -4.46 117.00 120.54 1dxt n LEU 48 Ca 0.03 -1.77 -0.37 0.00 -0.03 0.00 0.00 56.01 53.88 1dxt n LEU 48 Cb 0.48 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 1dxt n LEU 48 CO 0.62 0.64 0.85 -0.94 -1.33 0.00 0.00 177.39 177.23 1dxt s SER 49 N -0.83 5.91 -0.11 -1.43 1.04 -1.26 -4.89 113.70 112.14 1dxt s SER 49 Ca 0.37 2.37 -0.37 0.00 0.48 0.00 0.00 55.95 58.80 1dxt s SER 49 Cb 0.23 -2.60 -0.15 0.00 0.10 0.00 0.00 66.02 63.60 1dxt s SER 49 CO 0.19 -1.10 1.67 1.57 0.98 0.00 0.00 173.24 176.56 1dxt n HIS 50 N -0.74 2.02 -0.99 5.02 -0.00 -1.26 -1.53 115.22 117.74 1dxt n HIS 50 Ca 0.09 0.40 0.00 0.00 0.46 0.00 0.00 57.72 58.67 1dxt n HIS 50 Cb 0.48 -2.49 0.00 0.00 -0.12 0.00 0.00 29.99 27.86 1dxt n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1dxt n GLY 51 N 3.80 0.48 3.73 1.57 0.00 -1.26 -5.04 105.19 108.47 1dxt n GLY 51 Ca 0.23 -0.22 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 1dxt n GLY 51 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1dxt s SER 52 N -2.20 4.67 0.39 1.61 1.04 -0.58 -4.82 113.70 113.81 1dxt s SER 52 Ca 0.00 2.64 0.07 0.00 0.48 0.00 0.00 55.95 59.15 1dxt s SER 52 Cb 0.00 -2.62 0.78 0.00 0.10 0.00 0.00 66.02 64.28 1dxt s SER 52 CO 0.00 -1.96 1.97 0.00 0.98 0.00 0.00 173.24 174.23 1dxt h ALA 53 N 0.65 1.56 -0.28 5.32 0.00 -1.91 -1.52 119.26 123.09 1dxt h ALA 53 Ca -0.51 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.26 1dxt h ALA 53 Cb 1.33 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1dxt h ALA 53 CO 0.54 0.33 0.12 1.96 0.00 0.00 0.00 179.25 182.19 1dxt h GLN 54 N 0.42 0.41 -0.34 0.00 4.20 -1.90 0.37 115.11 118.27 1dxt h GLN 54 Ca 0.10 -0.07 -0.09 0.00 0.06 0.00 0.00 58.65 58.65 1dxt h GLN 54 Cb 0.18 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 1dxt h GLN 54 CO -0.00 0.42 -0.13 0.28 -0.67 0.00 0.00 178.83 178.72 1dxt h VAL 55 N 0.30 1.29 -0.39 -0.54 2.07 -1.72 -0.76 116.25 116.49 1dxt h VAL 55 Ca 0.09 -1.22 -0.01 0.00 0.82 0.00 0.00 66.70 66.37 1dxt h VAL 55 Cb 0.16 1.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 1dxt h VAL 55 CO -0.01 0.40 0.19 0.11 0.02 0.00 0.00 177.57 178.28 1dxt h LYS 56 N 0.46 0.56 -0.36 1.57 1.57 -1.12 0.19 116.57 119.43 1dxt h LYS 56 Ca 0.08 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1dxt h LYS 56 Cb 0.65 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.84 1dxt h LYS 56 CO 0.04 0.50 0.21 0.78 -0.57 0.00 0.00 179.45 180.41 1dxt h GLY 57 N 0.49 0.53 0.99 3.86 0.00 -0.21 -2.20 103.07 106.53 1dxt h GLY 57 Ca 0.13 -0.23 -0.01 0.00 0.00 0.00 0.00 47.33 47.22 1dxt h GLY 57 CO -0.02 0.22 0.30 0.84 0.00 0.00 0.00 176.54 177.88 1dxt h HIS 58 N 0.46 0.77 -0.88 5.60 -0.00 -0.95 -1.95 115.15 118.21 1dxt h HIS 58 Ca 0.13 -0.02 0.06 0.00 -0.00 0.00 0.00 60.37 60.54 1dxt h HIS 58 Cb 0.03 -0.25 -0.06 0.00 -0.00 0.00 0.00 27.41 27.14 1dxt h HIS 58 CO -0.03 0.57 0.57 0.78 -0.00 0.00 0.00 177.93 179.82 1dxt h GLY 59 N 0.75 1.27 0.88 5.26 0.00 -0.47 0.13 103.07 110.90 1dxt h GLY 59 Ca 0.20 -0.40 -0.04 0.00 0.00 0.00 0.00 47.33 47.09 1dxt h GLY 59 CO -0.03 0.29 0.03 1.70 0.00 0.00 0.00 176.54 178.53 1dxt h LYS 60 N 0.99 0.50 -0.57 4.80 3.64 -0.94 -1.60 116.57 123.40 1dxt h LYS 60 Ca 0.38 -0.15 -0.09 0.00 -1.27 0.00 0.00 60.65 59.52 1dxt h LYS 60 Cb 0.21 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.95 1dxt h LYS 60 CO -0.14 0.62 -0.01 0.87 -2.27 0.00 0.00 179.45 178.52 1dxt h LYS 61 N 0.31 1.01 -0.26 1.90 1.57 -0.62 -0.42 116.57 120.05 1dxt h LYS 61 Ca 0.09 -0.32 -0.01 0.00 -1.87 0.00 0.00 60.65 58.54 1dxt h LYS 61 Cb 0.38 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 1dxt h LYS 61 CO 0.01 0.99 0.13 0.28 -0.57 0.00 0.00 179.45 180.29 1dxt h VAL 62 N 0.92 1.14 -0.73 0.50 2.07 -0.88 -2.04 116.25 117.23 1dxt h VAL 62 Ca 0.16 -0.40 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 1dxt h VAL 62 Cb 0.55 0.92 -0.04 0.00 -1.52 0.00 0.00 31.29 31.21 1dxt h VAL 62 CO 0.03 0.14 0.43 0.00 0.02 0.00 0.00 177.57 178.19 1dxt h ALA 63 N 0.99 0.93 -0.42 1.67 0.00 -1.08 -1.65 119.26 119.71 1dxt h ALA 63 Ca 0.09 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1dxt h ALA 63 Cb 0.11 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1dxt h ALA 63 CO -0.01 0.42 0.27 -0.44 0.00 0.00 0.00 179.25 179.48 1dxt h ASP 64 N 1.00 0.49 -0.85 0.00 5.19 -0.95 -0.36 116.42 120.94 1dxt h ASP 64 Ca 0.26 -0.02 -0.00 0.00 -0.62 0.00 0.00 57.03 56.65 1dxt h ASP 64 Cb -0.02 -0.12 -0.04 0.00 0.18 0.00 0.00 39.33 39.33 1dxt h ASP 64 CO -0.05 0.37 0.53 0.00 -3.12 0.00 0.00 179.24 176.97 1dxt h ALA 65 N 1.14 1.09 -0.57 3.45 0.00 -1.00 -0.45 119.26 122.92 1dxt h ALA 65 Ca 0.15 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1dxt h ALA 65 Cb -0.05 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.37 1dxt h ALA 65 CO -0.03 0.53 0.19 -0.07 0.00 0.00 0.00 179.25 179.87 1dxt h LEU 66 N 1.17 0.82 -0.68 0.00 4.07 -0.84 -0.63 115.31 119.23 1dxt h LEU 66 Ca 0.31 -0.20 -0.00 0.00 0.08 0.00 0.00 57.88 58.07 1dxt h LEU 66 Cb -0.07 -0.21 -0.03 0.00 1.08 0.00 0.00 40.66 41.42 1dxt h LEU 66 CO -0.06 0.80 0.42 0.74 -1.08 0.00 0.00 178.44 179.26 1dxt h THR 67 N 0.80 1.19 -0.45 0.22 2.02 -0.63 0.58 112.91 116.64 1dxt h THR 67 Ca 0.19 -0.40 0.02 0.00 0.77 0.00 0.00 66.41 66.99 1dxt h THR 67 Cb 0.26 0.24 -0.03 0.00 -1.74 0.00 0.00 68.15 66.88 1dxt h THR 67 CO -0.01 0.19 0.26 -1.13 0.37 0.00 0.00 175.52 175.20 1dxt h ASN 68 N 0.92 0.41 -0.76 4.18 -1.24 -0.74 -0.04 115.58 118.31 1dxt h ASN 68 Ca 0.24 0.01 -0.05 0.00 0.71 0.00 0.00 56.30 57.21 1dxt h ASN 68 Cb -0.05 -0.08 -0.03 0.00 0.73 0.00 0.00 38.32 38.89 1dxt h ASN 68 CO -0.05 0.29 0.27 0.00 -1.29 0.00 0.00 177.43 176.66 1dxt h ALA 69 N 1.21 1.04 -0.54 1.57 0.00 -0.36 -1.37 119.26 120.80 1dxt h ALA 69 Ca 0.18 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1dxt h ALA 69 Cb 0.03 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1dxt h ALA 69 CO -0.09 0.66 0.15 0.28 0.00 0.00 0.00 179.25 180.25 1dxt h VAL 70 N 1.13 1.24 -0.39 0.00 2.07 -0.37 -0.91 116.25 119.01 1dxt h VAL 70 Ca 0.25 -0.83 0.02 0.00 0.82 0.00 0.00 66.70 66.95 1dxt h VAL 70 Cb 0.26 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 1dxt h VAL 70 CO -0.01 0.31 0.26 0.00 0.02 0.00 0.00 177.57 178.14 1dxt h ALA 71 N 1.02 1.78 -0.99 1.67 0.00 -0.66 -2.99 119.26 119.08 1dxt h ALA 71 Ca 0.17 -0.02 -0.56 0.00 0.00 0.00 0.00 54.91 54.50 1dxt h ALA 71 Cb 0.31 -0.14 -0.43 0.00 0.00 0.00 0.00 17.79 17.53 1dxt h ALA 71 CO -0.00 0.19 -0.79 0.72 0.00 0.00 0.00 179.25 179.36 1dxt n HIS 72 N -4.48 2.95 0.30 0.00 8.25 -0.55 -4.85 115.22 116.83 1dxt n HIS 72 Ca 0.03 -2.51 0.17 0.00 -0.26 0.00 0.00 57.72 55.15 1dxt n HIS 72 Cb 0.10 -0.26 0.97 0.00 1.12 0.00 0.00 29.99 31.93 1dxt n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1dxt h VAL 73 N 2.34 0.41 0.00 1.59 3.04 -1.02 -1.43 116.25 121.17 1dxt h VAL 73 Ca 0.34 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.03 1dxt h VAL 73 Cb 1.34 0.98 0.00 0.00 -2.01 0.00 0.00 31.29 31.60 1dxt h VAL 73 CO 0.78 0.00 -0.24 0.44 -1.01 0.00 0.00 177.57 177.55 1dxt h ASP 74 N 0.00 0.00 -1.18 3.17 3.32 -1.89 -3.37 116.42 116.47 1dxt h ASP 74 Ca 0.01 -0.02 -0.42 0.00 0.02 0.00 0.00 57.03 56.62 1dxt h ASP 74 Cb 0.06 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 39.20 1dxt h ASP 74 CO -0.00 0.01 -1.08 -0.67 -1.72 0.00 0.00 179.24 175.78 1dxt n ASP 75 N -2.79 2.26 -0.14 6.45 2.03 -0.58 -4.98 116.55 118.81 1dxt n ASP 75 Ca 0.03 -2.98 -0.06 0.00 0.52 0.00 0.00 54.79 52.30 1dxt n ASP 75 Cb 0.51 -0.52 0.02 0.00 -0.72 0.00 0.00 41.12 40.41 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 2.90 0.47 -0.68 -0.67 2.86 -1.62 -1.55 114.93 116.64 1dxt h MET 76 Ca 0.01 -0.03 0.14 0.00 -2.06 0.00 0.00 59.70 57.76 1dxt h MET 76 Cb 1.10 -0.11 -0.11 0.00 0.06 0.00 0.00 31.60 32.55 1dxt h MET 76 CO 0.59 0.31 0.10 -1.35 1.06 0.00 0.00 176.91 177.61 1dxt h PRO 77 N 0.48 0.19 -0.09 -0.22 0.11 -1.93 0.72 132.00 131.26 1dxt h PRO 77 Ca 0.18 -0.01 -0.15 0.00 0.11 0.00 0.00 66.00 66.12 1dxt h PRO 77 Cb 0.04 -0.04 0.01 0.00 0.11 0.00 0.00 31.00 31.12 1dxt h PRO 77 CO -0.10 0.13 -0.53 -0.91 -0.21 0.00 0.00 178.00 176.37 1dxt h ASN 78 N 0.20 0.63 -0.57 -2.05 4.21 -1.93 -2.39 115.58 113.68 1dxt h ASN 78 Ca 0.37 -0.66 -0.01 0.00 1.21 0.00 0.00 56.30 57.21 1dxt h ASN 78 Cb 0.61 -0.19 -0.03 0.00 -1.12 0.00 0.00 38.32 37.60 1dxt h ASN 78 CO -0.51 1.18 0.32 0.00 -1.29 0.00 0.00 177.43 177.13 1dxt h ALA 79 N 0.46 1.45 -0.65 -0.83 0.00 -0.31 -2.62 119.26 116.76 1dxt h ALA 79 Ca -0.04 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1dxt h ALA 79 Cb 1.19 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1dxt h ALA 79 CO 0.11 0.46 0.00 1.28 0.00 0.00 0.00 179.25 181.10 1dxt n LEU 80 N -4.38 4.47 -0.23 0.00 4.77 0.15 -4.71 117.00 117.07 1dxt n LEU 80 Ca 0.05 -2.33 0.02 0.00 -0.03 0.00 0.00 56.01 53.72 1dxt n LEU 80 Cb 0.10 -0.54 0.10 0.00 -2.33 0.00 0.00 43.42 40.76 1dxt n LEU 80 CO 0.37 0.85 0.79 -1.28 -1.33 0.00 0.00 177.39 176.80 1dxt h SER 81 N 3.98 -0.42 -0.75 -1.43 0.87 -1.02 0.15 113.55 114.93 1dxt h SER 81 Ca 0.00 0.18 -0.04 0.00 -1.23 0.00 0.00 61.79 60.70 1dxt h SER 81 Cb 1.31 0.34 -0.03 0.00 -0.44 0.00 0.00 62.40 63.57 1dxt h SER 81 CO 0.16 -0.17 0.30 0.00 -0.53 0.00 0.00 176.83 176.59 1dxt h ALA 82 N 1.64 0.97 -0.08 6.23 0.00 -1.84 -1.75 119.26 124.42 1dxt h ALA 82 Ca 0.34 -0.19 -0.17 0.00 0.00 0.00 0.00 54.91 54.90 1dxt h ALA 82 Cb 0.57 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1dxt h ALA 82 CO -0.62 0.59 -0.69 1.25 0.00 0.00 0.00 179.25 179.78 1dxt h LEU 83 N 1.07 0.44 -1.03 0.00 5.85 -1.59 -1.84 115.31 118.21 1dxt h LEU 83 Ca 0.25 -0.28 -0.09 0.00 0.84 0.00 0.00 57.88 58.61 1dxt h LEU 83 Cb 0.21 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 1dxt h LEU 83 CO -0.02 1.00 -0.24 0.77 -0.34 0.00 0.00 178.44 179.61 1dxt h SER 84 N 0.26 0.40 -0.16 1.25 4.64 -0.52 -0.84 113.55 118.59 1dxt h SER 84 Ca -0.02 -0.13 -0.04 0.00 -0.47 0.00 0.00 61.79 61.13 1dxt h SER 84 Cb 1.25 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1dxt h SER 84 CO 0.12 0.65 -0.06 0.44 -0.87 0.00 0.00 176.83 177.11 1dxt h ASP 85 N 0.36 0.33 -0.62 4.97 3.32 -0.99 -1.60 116.42 122.20 1dxt h ASP 85 Ca 0.06 -0.39 0.05 0.00 0.02 0.00 0.00 57.03 56.76 1dxt h ASP 85 Cb 0.62 -0.09 -0.05 0.00 0.22 0.00 0.00 39.33 40.03 1dxt h ASP 85 CO 0.04 0.64 0.35 0.25 -1.72 0.00 0.00 179.24 178.80 1dxt h LEU 86 N 0.00 0.53 -0.18 1.55 5.85 -1.14 0.12 115.31 122.04 1dxt h LEU 86 Ca 0.04 0.02 -0.15 0.00 0.84 0.00 0.00 57.88 58.63 1dxt h LEU 86 Cb 0.51 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.46 1dxt h LEU 86 CO 0.02 0.35 -0.48 0.45 -0.34 0.00 0.00 178.44 178.44 1dxt h HIS 87 N 0.66 0.84 -0.31 1.25 3.86 -1.09 -0.14 115.15 120.22 1dxt h HIS 87 Ca 0.27 -0.33 -0.08 0.00 -1.16 0.00 0.00 60.37 59.07 1dxt h HIS 87 Cb 0.13 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.45 1dxt h HIS 87 CO -0.08 1.11 -0.13 0.00 0.86 0.00 0.00 177.93 179.69 1dxt h ALA 88 N 0.57 0.44 0.00 2.45 0.00 -1.12 0.20 119.26 121.80 1dxt h ALA 88 Ca -0.01 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 54.48 1dxt h ALA 88 Cb 1.10 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 1dxt h ALA 88 CO 0.10 0.32 -2.06 0.72 0.00 0.00 0.00 179.25 178.33 1dxt n HIS 89 N -4.40 0.04 0.00 0.00 8.25 0.01 -4.55 115.22 114.58 1dxt n HIS 89 Ca -0.03 0.01 -0.02 0.00 -0.26 0.00 0.00 57.72 57.43 1dxt n HIS 89 Cb 0.37 -0.65 -0.01 0.00 1.12 0.00 0.00 29.99 30.82 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 -2.41 0.11 -0.04 -0.41 0.00 -0.66 -4.85 118.16 109.90 1dxt n LYS 90 Ca -0.11 0.04 -0.12 0.00 0.00 0.00 0.00 58.31 58.12 1dxt n LYS 90 Cb 0.72 -0.56 -0.07 0.00 0.00 0.00 0.00 35.03 35.12 1dxt n LYS 90 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 1dxt h LEU 91 N -0.20 0.21 -1.68 3.14 3.38 -1.16 -3.48 115.31 115.52 1dxt h LEU 91 Ca 0.00 -0.32 -0.40 0.00 0.09 0.00 0.00 57.88 57.25 1dxt h LEU 91 Cb 0.20 -0.06 0.08 0.00 0.09 0.00 0.00 40.66 40.98 1dxt h LEU 91 CO 0.00 0.48 -0.81 0.54 0.09 0.00 0.00 178.44 178.74 1dxt n ARG 92 N -4.78 -5.45 -2.41 1.13 1.74 0.69 -4.95 116.66 102.63 1dxt n ARG 92 Ca -0.06 0.68 -0.42 0.00 -0.77 0.00 0.00 57.85 57.29 1dxt n ARG 92 Cb 0.21 -5.38 -0.03 0.00 -1.02 0.00 0.00 32.46 26.23 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 -3.57 3.90 0.34 1.55 1.01 -1.26 -4.97 120.40 117.41 1dxt s VAL 93 Ca 0.05 1.42 -0.29 0.00 0.00 0.00 0.00 61.98 63.16 1dxt s VAL 93 Cb -0.02 -3.91 -0.12 0.00 0.00 0.00 0.00 36.38 32.33 1dxt s VAL 93 CO 0.79 0.14 1.48 -0.67 0.00 0.00 0.00 175.10 176.84 1dxt n ASP 94 N 3.53 3.59 0.14 3.32 -0.08 -1.26 -4.82 116.55 120.97 1dxt n ASP 94 Ca 0.08 1.20 0.18 0.00 -1.51 0.00 0.00 54.79 54.74 1dxt n ASP 94 Cb 0.46 -1.58 0.78 0.00 2.34 0.00 0.00 41.12 43.12 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 3.39 0.00 -0.44 -0.67 0.11 -2.00 -2.18 132.00 130.20 1dxt h PRO 95 Ca -0.49 0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.66 1dxt h PRO 95 Cb 1.25 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 1dxt h PRO 95 CO 0.68 0.00 0.30 0.28 -0.21 0.00 0.00 178.00 179.05 1dxt h VAL 96 N 0.00 1.01 0.00 3.15 2.07 -2.03 -2.25 116.25 118.20 1dxt h VAL 96 Ca 0.14 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 67.49 1dxt h VAL 96 Cb 0.76 0.53 -0.00 0.00 -1.52 0.00 0.00 31.29 31.06 1dxt h VAL 96 CO -0.00 0.08 -0.10 0.78 0.02 0.00 0.00 177.57 178.34 1dxt h ASN 97 N 0.44 0.00 -0.33 0.57 4.21 -1.75 -2.79 115.58 115.93 1dxt h ASN 97 Ca 0.18 0.00 -0.06 0.00 1.21 0.00 0.00 56.30 57.63 1dxt h ASN 97 Cb 0.18 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.36 1dxt h ASN 97 CO -0.05 0.10 0.01 -0.26 -1.29 0.00 0.00 177.43 175.95 1dxt h PHE 98 N 0.00 0.72 -0.27 1.19 -1.00 -1.58 -2.36 116.94 113.64 1dxt h PHE 98 Ca -0.00 -0.09 -0.08 0.00 2.81 0.00 0.00 57.97 60.61 1dxt h PHE 98 Cb 0.32 -0.20 -0.01 0.00 3.61 0.00 0.00 35.95 39.67 1dxt h PHE 98 CO 0.00 0.68 -0.20 1.57 -1.61 0.00 0.00 178.31 178.75 1dxt h LYS 99 N 0.65 0.48 -0.08 1.51 2.10 -1.64 -0.94 116.57 118.64 1dxt h LYS 99 Ca 0.13 -0.16 -0.04 0.00 -2.00 0.00 0.00 60.65 58.58 1dxt h LYS 99 Cb 0.39 -0.04 -0.00 0.00 -0.90 0.00 0.00 32.23 31.68 1dxt h LYS 99 CO 0.01 0.66 -0.12 -0.07 -2.00 0.00 0.00 179.45 177.93 1dxt h LEU 100 N 0.43 0.24 -0.70 7.07 3.38 -1.51 -1.73 115.31 122.50 1dxt h LEU 100 Ca 0.07 -0.54 -0.04 0.00 0.09 0.00 0.00 57.88 57.46 1dxt h LEU 100 Cb 0.59 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 1dxt h LEU 100 CO 0.04 0.74 0.27 0.25 0.09 0.00 0.00 178.44 179.83 1dxt h LEU 101 N -0.24 0.97 -0.61 1.67 6.46 -1.36 -1.91 115.31 120.30 1dxt h LEU 101 Ca 0.01 -0.18 0.03 0.00 -0.12 0.00 0.00 57.88 57.62 1dxt h LEU 101 Cb 0.69 -0.25 -0.04 0.00 -0.73 0.00 0.00 40.66 40.32 1dxt h LEU 101 CO 0.03 0.88 0.36 0.28 -0.62 0.00 0.00 178.44 179.37 1dxt h SER 102 N 1.00 0.58 -0.32 1.25 0.02 -1.13 0.29 113.55 115.24 1dxt h SER 102 Ca 0.23 0.01 0.01 0.00 -0.84 0.00 0.00 61.79 61.20 1dxt h SER 102 Cb 0.22 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.63 1dxt h SER 102 CO -0.02 0.40 0.19 -0.74 -1.14 0.00 0.00 176.83 175.52 1dxt h HIS 103 N 0.70 0.36 -0.11 3.45 -0.00 -1.11 -0.51 115.15 117.94 1dxt h HIS 103 Ca 0.25 0.01 -0.09 0.00 -0.00 0.00 0.00 60.37 60.54 1dxt h HIS 103 Cb 0.06 -0.12 -0.01 0.00 -0.00 0.00 0.00 27.41 27.34 1dxt h HIS 103 CO -0.06 0.22 -0.36 0.00 -0.00 0.00 0.00 177.93 177.73 1dxt h LEU 105 N 0.19 0.99 -0.45 0.00 5.85 -0.03 -1.84 115.31 120.02 1dxt h LEU 105 Ca 0.02 -0.27 0.01 0.00 0.84 0.00 0.00 57.88 58.48 1dxt h LEU 105 Cb 0.72 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 1dxt h LEU 105 CO 0.05 1.01 0.29 0.25 -0.34 0.00 0.00 178.44 179.71 1dxt h LEU 106 N 0.93 0.51 -0.95 2.25 5.85 -0.58 0.13 115.31 123.44 1dxt h LEU 106 Ca 0.18 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 1dxt h LEU 106 Cb 0.45 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.32 1dxt h LEU 106 CO 0.02 0.37 0.43 0.58 -0.34 0.00 0.00 178.44 179.49 1dxt h VAL 107 N 0.60 1.25 -0.13 1.05 2.07 -1.05 0.18 116.25 120.22 1dxt h VAL 107 Ca 0.17 -0.66 -0.01 0.00 0.82 0.00 0.00 66.70 67.02 1dxt h VAL 107 Cb -0.06 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 29.85 1dxt h VAL 107 CO -0.04 0.29 0.04 0.74 0.02 0.00 0.00 177.57 178.62 1dxt h THR 108 N 1.17 1.17 -0.38 2.57 2.02 -0.85 -1.12 112.91 117.48 1dxt h THR 108 Ca 0.29 -0.51 -0.02 0.00 0.77 0.00 0.00 66.41 66.94 1dxt h THR 108 Cb 0.07 1.27 -0.02 0.00 -1.74 0.00 0.00 68.15 67.73 1dxt h THR 108 CO -0.04 0.15 0.18 -0.07 0.37 0.00 0.00 175.52 176.11 1dxt h LEU 109 N 0.03 0.51 -0.87 2.58 4.07 -0.81 -2.50 115.31 118.32 1dxt h LEU 109 Ca 0.04 -0.13 0.11 0.00 0.08 0.00 0.00 57.88 57.98 1dxt h LEU 109 Cb 0.20 -0.13 -0.08 0.00 1.08 0.00 0.00 40.66 41.73 1dxt h LEU 109 CO -0.00 0.50 0.51 0.00 -1.08 0.00 0.00 178.44 178.36 1dxt h ALA 110 N 1.03 1.27 0.00 1.53 0.00 -0.66 0.91 119.26 123.34 1dxt h ALA 110 Ca 0.13 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1dxt h ALA 110 Cb 0.13 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1dxt h ALA 110 CO -0.02 0.11 0.00 0.00 0.00 0.00 0.00 179.25 179.34 1dxt h ALA 111 N 1.49 1.00 0.00 0.00 0.00 -0.93 -3.29 119.26 117.53 1dxt h ALA 111 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.34 1dxt h ALA 111 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1dxt h ALA 111 CO -0.27 0.00 -1.07 0.72 0.00 0.00 0.00 179.25 178.63 1dxt n HIS 112 N -2.85 0.00 -3.25 0.00 -0.00 -0.55 -4.80 115.22 103.77 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 0.34 -0.13 -0.06 0.00 -0.00 0.00 0.00 29.99 30.13 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 -1.61 4.11 -0.13 2.41 4.77 0.21 -4.93 117.00 121.84 1dxt n LEU 113 Ca -0.01 -5.52 -0.04 0.00 -0.03 0.00 0.00 56.01 50.41 1dxt n LEU 113 Cb 0.19 -0.66 0.03 0.00 -2.33 0.00 0.00 43.42 40.66 1dxt n LEU 113 CO 0.18 2.14 0.86 1.55 -1.33 0.00 0.00 177.39 180.79 1dxt h PRO 114 N 3.83 0.12 -0.19 3.23 0.13 -1.84 -1.99 132.00 135.29 1dxt h PRO 114 Ca 0.18 -0.01 -0.14 0.00 -0.87 0.00 0.00 66.00 65.16 1dxt h PRO 114 Cb 0.61 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.70 1dxt h PRO 114 CO 0.85 0.08 -0.49 0.00 -0.23 0.00 0.00 178.00 178.21 1dxt h ALA 115 N 1.36 0.80 0.00 -0.56 0.00 -1.95 -3.31 119.26 115.60 1dxt h ALA 115 Ca 0.20 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1dxt h ALA 115 Cb 0.29 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1dxt h ALA 115 CO -0.33 0.67 -0.65 0.39 0.00 0.00 0.00 179.25 179.33 1dxt n GLU 116 N -3.98 0.28 -2.00 0.00 4.71 -1.04 -4.63 120.64 113.98 1dxt n GLU 116 Ca -0.02 0.08 -0.40 0.00 -0.01 0.00 0.00 57.16 56.80 1dxt n GLU 116 Cb 0.56 -1.67 -0.00 0.00 -1.01 0.00 0.00 31.44 29.32 1dxt n GLU 116 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1dxt n PHE 117 N -2.08 2.66 -1.85 -0.32 7.35 -0.78 -4.76 117.46 117.68 1dxt n PHE 117 Ca 0.03 -2.84 -0.30 0.00 -0.76 0.00 0.00 57.45 53.58 1dxt n PHE 117 Cb 0.43 -1.92 0.04 0.00 0.35 0.00 0.00 39.48 38.38 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 -0.51 3.91 0.21 -2.13 2.01 -1.26 -4.78 115.64 113.10 1dxt s THR 118 Ca 0.52 0.62 -0.09 0.00 0.31 0.00 0.00 61.69 63.06 1dxt s THR 118 Cb 0.17 -3.59 0.16 0.00 0.01 0.00 0.00 72.50 69.24 1dxt s THR 118 CO -0.07 -0.81 1.74 -0.65 -0.69 0.00 0.00 174.62 174.14 1dxt h PRO 119 N -0.56 0.41 -0.52 4.92 0.11 -1.99 0.59 132.00 134.96 1dxt h PRO 119 Ca -0.45 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.56 1dxt h PRO 119 Cb 1.23 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 1dxt h PRO 119 CO 0.63 0.27 0.04 0.00 -0.21 0.00 0.00 178.00 178.72 1dxt h ALA 120 N 1.44 0.70 -0.42 -0.75 0.00 -1.97 -1.05 119.26 117.21 1dxt h ALA 120 Ca 0.32 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1dxt h ALA 120 Cb 0.41 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1dxt h ALA 120 CO -0.32 0.48 0.00 0.28 0.00 0.00 0.00 179.25 179.69 1dxt h VAL 121 N 0.77 1.26 -0.21 0.00 2.07 -1.72 -1.89 116.25 116.53 1dxt h VAL 121 Ca 0.15 -1.01 0.05 0.00 0.82 0.00 0.00 66.70 66.71 1dxt h VAL 121 Cb 0.47 1.09 -0.06 0.00 -1.52 0.00 0.00 31.29 31.27 1dxt h VAL 121 CO 0.02 0.35 -0.17 -0.74 0.02 0.00 0.00 177.57 177.05 1dxt h HIS 122 N 0.58 -0.43 -0.53 1.57 6.17 -0.74 0.17 115.15 121.94 1dxt h HIS 122 Ca 0.12 0.03 0.04 0.00 0.71 0.00 0.00 60.37 61.27 1dxt h HIS 122 Cb 0.48 0.22 -0.04 0.00 2.52 0.00 0.00 27.41 30.59 1dxt h HIS 122 CO 0.04 -0.24 0.28 0.00 0.71 0.00 0.00 177.93 178.72 1dxt h ALA 123 N 0.94 0.68 -0.48 5.26 0.00 -0.99 -0.61 119.26 124.05 1dxt h ALA 123 Ca 0.12 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1dxt h ALA 123 Cb 0.36 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1dxt h ALA 123 CO -0.31 -0.04 0.21 0.77 0.00 0.00 0.00 179.25 179.88 1dxt h SER 124 N 0.56 0.65 -0.44 0.00 0.02 -0.83 -1.76 113.55 111.75 1dxt h SER 124 Ca 0.23 -0.15 -0.10 0.00 -0.84 0.00 0.00 61.79 60.93 1dxt h SER 124 Cb 0.11 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.46 1dxt h SER 124 CO -0.14 0.63 -0.08 -0.07 -1.14 0.00 0.00 176.83 176.02 1dxt h LEU 125 N 0.64 0.88 -0.25 5.07 3.38 -0.36 0.05 115.31 124.72 1dxt h LEU 125 Ca 0.16 -0.26 0.01 0.00 0.09 0.00 0.00 57.88 57.88 1dxt h LEU 125 Cb 0.16 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1dxt h LEU 125 CO -0.02 0.98 0.15 -0.78 0.09 0.00 0.00 178.44 178.87 1dxt h ASP 126 N 0.80 0.25 -0.56 -0.43 3.58 -0.88 -0.10 116.42 119.08 1dxt h ASP 126 Ca 0.14 -0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.55 1dxt h ASP 126 Cb 0.59 -0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.56 1dxt h ASP 126 CO 0.04 0.18 0.21 0.11 -2.88 0.00 0.00 179.24 176.90 1dxt h LYS 127 N 0.31 0.84 -0.05 0.28 1.57 -1.14 -1.52 116.57 116.86 1dxt h LYS 127 Ca 0.09 -0.16 0.02 0.00 -1.87 0.00 0.00 60.65 58.74 1dxt h LYS 127 Cb -0.02 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.14 1dxt h LYS 127 CO -0.04 0.73 -0.07 0.35 -0.57 0.00 0.00 179.45 179.86 1dxt h PHE 128 N 0.77 -0.16 -0.72 -1.35 3.57 -0.55 0.53 116.94 119.02 1dxt h PHE 128 Ca 0.18 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.68 1dxt h PHE 128 Cb 0.22 0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.00 1dxt h PHE 128 CO 0.01 -0.10 0.38 -0.07 -2.23 0.00 0.00 178.31 176.29 1dxt h LEU 129 N -0.09 0.91 -0.81 0.59 3.38 -0.92 0.49 115.31 118.86 1dxt h LEU 129 Ca 0.04 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1dxt h LEU 129 Cb 0.15 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 1dxt h LEU 129 CO -0.11 0.74 0.46 0.00 0.09 0.00 0.00 178.44 179.62 1dxt h ALA 130 N 1.40 1.04 -0.31 1.53 0.00 -0.86 -0.91 119.26 121.15 1dxt h ALA 130 Ca 0.25 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 1dxt h ALA 130 Cb 0.06 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1dxt h ALA 130 CO -0.04 0.54 -0.04 0.77 0.00 0.00 0.00 179.25 180.48 1dxt h SER 131 N 1.12 0.57 -0.19 0.00 0.02 0.26 -0.66 113.55 114.68 1dxt h SER 131 Ca 0.29 -0.34 0.02 0.00 -0.84 0.00 0.00 61.79 60.92 1dxt h SER 131 Cb 0.01 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.37 1dxt h SER 131 CO -0.05 0.77 0.03 0.58 -1.14 0.00 0.00 176.83 177.03 1dxt h VAL 132 N 0.35 0.91 -0.72 2.27 2.07 -0.75 -0.67 116.25 119.72 1dxt h VAL 132 Ca 0.08 -0.04 0.09 0.00 0.82 0.00 0.00 66.70 67.65 1dxt h VAL 132 Cb 0.51 0.80 -0.07 0.00 -1.52 0.00 0.00 31.29 31.00 1dxt h VAL 132 CO 0.02 0.02 0.38 0.28 0.02 0.00 0.00 177.57 178.29 1dxt h SER 133 N 0.10 0.52 -0.43 0.57 0.02 -0.95 0.46 113.55 113.84 1dxt h SER 133 Ca 0.08 0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 61.06 1dxt h SER 133 Cb 0.08 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.56 1dxt h SER 133 CO -0.12 0.30 0.16 0.74 -1.14 0.00 0.00 176.83 176.78 1dxt h THR 134 N 0.65 1.21 -0.50 -2.27 2.02 -0.69 -2.03 112.91 111.29 1dxt h THR 134 Ca 0.35 -0.64 -0.04 0.00 0.77 0.00 0.00 66.41 66.84 1dxt h THR 134 Cb 0.33 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 67.54 1dxt h THR 134 CO -0.25 0.23 0.16 0.58 0.37 0.00 0.00 175.52 176.62 1dxt h VAL 135 N 0.55 1.23 0.00 3.16 2.07 -0.43 -1.91 116.25 120.92 1dxt h VAL 135 Ca 0.14 -0.76 -0.00 0.00 0.82 0.00 0.00 66.70 66.90 1dxt h VAL 135 Cb 0.21 0.77 -0.00 0.00 -1.52 0.00 0.00 31.29 30.75 1dxt h VAL 135 CO -0.01 0.28 -0.02 -0.07 0.02 0.00 0.00 177.57 177.77 1dxt h LEU 136 N 0.68 0.00 -1.10 2.57 3.38 -0.69 -2.74 115.31 117.41 1dxt h LEU 136 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1dxt h LEU 136 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1dxt h LEU 136 CO -0.01 0.02 -0.36 0.41 0.09 0.00 0.00 178.44 178.59 1dxt n THR 137 N -3.13 0.00 -0.32 0.22 -1.04 -0.79 -4.48 114.28 104.75 1dxt n THR 137 Ca -0.00 -0.32 0.06 0.00 -2.04 0.00 0.00 64.05 61.74 1dxt n THR 137 Cb 0.25 1.27 0.21 0.00 -1.82 0.00 0.00 70.33 70.23 1dxt n THR 137 CO 0.00 0.00 0.00 -1.28 -0.64 0.00 0.00 175.07 173.15 1dxt h SER 138 N 2.53 0.72 -0.62 8.00 0.87 -1.03 -2.88 113.55 121.15 1dxt h SER 138 Ca 0.00 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 1dxt h SER 138 Cb 0.72 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.60 1dxt h SER 138 CO 0.00 0.37 0.00 0.29 -0.53 0.00 0.00 176.83 176.96 1dxt n LYS 139 N -4.74 4.13 0.06 2.24 5.02 -1.26 -4.55 118.16 119.06 1dxt n LYS 139 Ca 0.16 -2.99 0.03 0.00 -2.02 0.00 0.00 58.31 53.49 1dxt n LYS 139 Cb 0.35 -2.02 0.41 0.00 -0.02 0.00 0.00 35.03 33.75 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 4.02 0.39 0.00 2.13 -1.99 -1.83 -3.46 116.97 116.24 1dxt h TYR 140 Ca 0.00 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.72 1dxt h TYR 140 Cb 1.64 -0.12 0.00 0.00 2.00 0.00 0.00 36.73 40.24 1dxt h TYR 140 CO 0.88 0.34 0.00 2.89 -0.00 0.00 0.00 178.16 182.27