#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s5x s LEU 2 N 0.00 4.45 0.57 1.04 1.43 -1.26 -5.07 118.68 119.84 1s5x s LEU 2 Ca 0.00 1.84 0.04 0.00 -1.03 0.00 0.00 54.13 54.98 1s5x s LEU 2 Cb 0.00 -3.59 0.06 0.00 0.03 0.00 0.00 46.19 42.70 1s5x s LEU 2 CO 0.00 -0.19 0.79 -0.94 0.23 0.00 0.00 176.35 176.24 1s5x s SER 3 N 0.35 5.09 0.33 2.29 1.04 -1.26 -4.89 113.70 116.65 1s5x s SER 3 Ca 0.50 -0.39 0.02 0.00 0.48 0.00 0.00 55.95 56.57 1s5x s SER 3 Cb -0.25 -0.33 0.62 0.00 0.10 0.00 0.00 66.02 66.16 1s5x s SER 3 CO 0.30 -1.29 1.96 0.44 0.98 0.00 0.00 173.24 175.64 1s5x h ASP 4 N 0.07 0.78 -0.65 7.02 3.45 -1.99 -0.42 116.42 124.69 1s5x h ASP 4 Ca -0.37 -0.01 -0.03 0.00 0.43 0.00 0.00 57.03 57.05 1s5x h ASP 4 Cb 1.28 -0.18 -0.03 0.00 -0.56 0.00 0.00 39.33 39.85 1s5x h ASP 4 CO 0.45 0.53 0.30 0.50 -1.57 0.00 0.00 179.24 179.45 1s5x h LYS 5 N 0.91 0.94 -0.50 3.56 3.64 -2.00 -2.27 116.57 120.85 1s5x h LYS 5 Ca 0.31 -0.14 -0.08 0.00 -1.27 0.00 0.00 60.65 59.46 1s5x h LYS 5 Cb 0.09 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.72 1s5x h LYS 5 CO -0.09 0.75 -0.01 -0.44 -2.27 0.00 0.00 179.45 177.39 1s5x h ASP 6 N 0.89 0.88 -0.79 4.20 3.45 -1.60 -2.11 116.42 121.34 1s5x h ASP 6 Ca 0.22 -0.31 -0.02 0.00 0.43 0.00 0.00 57.03 57.35 1s5x h ASP 6 Cb 0.13 -0.24 -0.04 0.00 -0.56 0.00 0.00 39.33 38.63 1s5x h ASP 6 CO -0.03 0.98 0.41 0.11 -1.57 0.00 0.00 179.24 179.14 1s5x h LYS 7 N 0.76 1.12 -0.03 3.56 1.57 -0.90 -1.38 116.57 121.27 1s5x h LYS 7 Ca 0.14 -0.15 -0.15 0.00 -1.87 0.00 0.00 60.65 58.62 1s5x h LYS 7 Cb 0.54 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 1s5x h LYS 7 CO 0.03 0.85 -0.68 0.00 -0.57 0.00 0.00 179.45 179.08 1s5x h ALA 8 N 1.21 0.82 -0.47 3.86 0.00 -1.40 -1.32 119.26 121.97 1s5x h ALA 8 Ca 0.28 -0.60 -0.12 0.00 0.00 0.00 0.00 54.91 54.47 1s5x h ALA 8 Cb 0.08 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1s5x h ALA 8 CO -0.04 0.81 -0.16 0.00 0.00 0.00 0.00 179.25 179.85 1s5x h ALA 9 N 1.22 0.65 -0.19 0.00 0.00 -1.00 0.41 119.26 120.35 1s5x h ALA 9 Ca -0.01 -0.37 -0.11 0.00 0.00 0.00 0.00 54.91 54.42 1s5x h ALA 9 Cb 1.20 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 1s5x h ALA 9 CO 0.10 0.60 -0.32 0.28 0.00 0.00 0.00 179.25 179.90 1s5x h VAL 10 N 0.78 1.33 -0.62 0.00 2.07 -1.21 -0.18 116.25 118.44 1s5x h VAL 10 Ca 0.11 -1.54 -0.01 0.00 0.82 0.00 0.00 66.70 66.08 1s5x h VAL 10 Cb 0.73 1.85 -0.03 0.00 -1.52 0.00 0.00 31.29 32.32 1s5x h VAL 10 CO 0.06 0.47 0.35 0.03 0.02 0.00 0.00 177.57 178.49 1s5x h ARG 11 N 0.23 0.85 -0.09 1.57 3.08 -1.19 0.25 114.38 119.08 1s5x h ARG 11 Ca 0.02 -0.09 -0.00 0.00 0.07 0.00 0.00 59.98 59.97 1s5x h ARG 11 Cb 0.90 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.78 1s5x h ARG 11 CO 0.07 0.64 0.06 0.00 -1.07 0.00 0.00 179.97 179.67 1s5x h ALA 12 N 1.17 0.11 -0.13 0.04 0.00 -0.82 -0.94 119.26 118.68 1s5x h ALA 12 Ca 0.22 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1s5x h ALA 12 Cb 0.03 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1s5x h ALA 12 CO -0.04 -0.38 0.05 1.25 0.00 0.00 0.00 179.25 180.14 1s5x h LEU 13 N 0.09 0.18 -1.82 0.00 5.85 -0.83 -2.82 115.31 115.97 1s5x h LEU 13 Ca 0.03 -0.16 0.06 0.00 0.84 0.00 0.00 57.88 58.64 1s5x h LEU 13 Cb 0.02 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 1s5x h LEU 13 CO -0.01 0.30 0.24 -0.25 -0.34 0.00 0.00 178.44 178.38 1s5x h TRP 14 N 0.06 0.23 0.00 1.25 2.91 -0.33 0.16 115.95 120.22 1s5x h TRP 14 Ca 0.04 0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.07 1s5x h TRP 14 Cb 0.17 -0.08 0.00 0.00 -0.51 0.00 0.00 29.16 28.75 1s5x h TRP 14 CO -0.01 0.13 0.00 -1.13 -1.03 0.00 0.00 178.44 176.39 1s5x n SER 15 N -4.48 0.11 -0.12 2.65 3.41 -0.37 -0.15 113.62 114.67 1s5x n SER 15 Ca 0.04 0.53 -0.18 0.00 -0.26 0.00 0.00 58.87 59.00 1s5x n SER 15 Cb 0.25 -0.55 -0.12 0.00 -0.26 0.00 0.00 64.21 63.53 1s5x n SER 15 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1s5x n LYS 16 N -1.62 0.66 -0.00 4.33 5.02 0.48 -4.61 118.16 122.41 1s5x n LYS 16 Ca 0.04 0.16 0.10 0.00 -2.02 0.00 0.00 58.31 56.58 1s5x n LYS 16 Cb 0.20 -1.54 -0.13 0.00 -0.02 0.00 0.00 35.03 33.54 1s5x n LYS 16 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 1s5x n ILE 17 N -3.27 0.00 -0.35 -0.18 -5.35 -0.76 -4.47 119.36 104.98 1s5x n ILE 17 Ca -0.44 -0.21 0.15 0.00 -0.27 0.00 0.00 62.75 61.98 1s5x n ILE 17 Cb 1.00 0.60 0.36 0.00 -1.74 0.00 0.00 39.64 39.85 1s5x n ILE 17 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 1s5x h GLY 18 N 4.35 1.85 2.00 3.28 0.00 -0.78 0.83 103.07 114.60 1s5x h GLY 18 Ca 0.00 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 46.99 1s5x h GLY 18 CO 0.00 -0.16 -0.04 0.07 0.00 0.00 0.00 176.54 176.41 1s5x h LYS 19 N 0.67 0.00 -0.64 4.80 2.10 -1.81 -1.45 116.57 120.25 1s5x h LYS 19 Ca 0.61 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.26 1s5x h LYS 19 Cb 1.07 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.40 1s5x h LYS 19 CO -0.43 0.04 0.00 0.43 -2.00 0.00 0.00 179.45 177.49 1s5x n SER 20 N -4.16 4.96 -0.26 7.07 7.64 0.28 -4.66 113.62 124.48 1s5x n SER 20 Ca -0.03 -2.61 0.07 0.00 1.01 0.00 0.00 58.87 57.31 1s5x n SER 20 Cb 0.13 -0.61 0.20 0.00 -1.01 0.00 0.00 64.21 62.91 1s5x n SER 20 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1s5x h ALA 21 N 4.02 1.01 -0.28 -0.43 0.00 -1.15 -1.44 119.26 120.99 1s5x h ALA 21 Ca 0.00 0.18 0.01 0.00 0.00 0.00 0.00 54.91 55.10 1s5x h ALA 21 Cb 1.61 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 19.63 1s5x h ALA 21 CO 0.33 -0.36 0.17 -0.44 0.00 0.00 0.00 179.25 178.95 1s5x h ASP 22 N 0.26 0.29 -0.87 0.00 3.45 -1.84 -0.87 116.42 116.84 1s5x h ASP 22 Ca 0.44 -0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.89 1s5x h ASP 22 Cb 0.78 -0.06 -0.04 0.00 -0.56 0.00 0.00 39.33 39.44 1s5x h ASP 22 CO -0.54 0.21 0.49 0.00 -1.57 0.00 0.00 179.24 177.83 1s5x h ALA 23 N 1.12 1.23 -0.39 3.45 0.00 -1.65 -1.52 119.26 121.50 1s5x h ALA 23 Ca 0.11 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1s5x h ALA 23 Cb -0.02 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 1s5x h ALA 23 CO -0.04 0.64 -0.00 0.82 0.00 0.00 0.00 179.25 180.66 1s5x h ILE 24 N 1.21 1.26 -0.25 0.00 2.04 -1.02 -1.88 117.51 118.87 1s5x h ILE 24 Ca 0.31 -1.01 -0.00 0.00 1.00 0.00 0.00 64.86 65.16 1s5x h ILE 24 Cb -0.00 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 1s5x h ILE 24 CO -0.05 0.34 0.15 1.23 0.00 0.00 0.00 178.15 179.81 1s5x h GLY 25 N 0.51 0.37 0.78 5.37 0.00 -0.83 -0.25 103.07 109.02 1s5x h GLY 25 Ca 0.11 -0.16 -0.00 0.00 0.00 0.00 0.00 47.33 47.28 1s5x h GLY 25 CO 0.02 0.15 -0.22 -0.57 0.00 0.00 0.00 176.54 175.92 1s5x h ASN 26 N 0.31 -0.59 -0.79 0.19 -1.24 -1.15 -2.04 115.58 110.27 1s5x h ASN 26 Ca 0.09 0.05 -0.03 0.00 0.71 0.00 0.00 56.30 57.12 1s5x h ASN 26 Cb 0.04 0.20 -0.04 0.00 0.73 0.00 0.00 38.32 39.25 1s5x h ASN 26 CO -0.02 -0.34 0.37 -0.78 -1.29 0.00 0.00 177.43 175.38 1s5x h ASP 27 N -0.51 1.05 -0.07 1.15 -0.00 -1.25 -2.50 116.42 114.28 1s5x h ASP 27 Ca -0.01 -0.13 -0.00 0.00 -0.00 0.00 0.00 57.03 56.89 1s5x h ASP 27 Cb 0.45 -0.27 -0.00 0.00 -0.00 0.00 0.00 39.33 39.51 1s5x h ASP 27 CO -0.03 0.89 0.04 0.00 -0.00 0.00 0.00 179.24 180.14 1s5x h ALA 28 N 1.27 0.09 -0.58 -0.78 0.00 -0.87 -1.19 119.26 117.21 1s5x h ALA 28 Ca 0.27 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1s5x h ALA 28 Cb 0.13 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1s5x h ALA 28 CO -0.03 -0.35 0.31 -0.07 0.00 0.00 0.00 179.25 179.10 1s5x h LEU 29 N 0.00 0.71 -0.20 0.00 3.38 -1.33 -0.60 115.31 117.27 1s5x h LEU 29 Ca 0.03 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 1s5x h LEU 29 Cb 0.11 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1s5x h LEU 29 CO -0.00 0.58 0.03 0.28 0.09 0.00 0.00 178.44 179.42 1s5x h SER 30 N 0.80 0.31 0.10 -0.43 0.02 -1.21 -2.00 113.55 111.15 1s5x h SER 30 Ca 0.20 -0.25 -0.00 0.00 -0.84 0.00 0.00 61.79 60.90 1s5x h SER 30 Cb 0.04 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.49 1s5x h SER 30 CO -0.03 0.49 -0.05 0.03 -1.14 0.00 0.00 176.83 176.13 1s5x h ARG 31 N 0.12 -0.13 -0.59 3.45 3.08 -0.91 -1.91 114.38 117.50 1s5x h ARG 31 Ca 0.06 0.01 0.11 0.00 0.07 0.00 0.00 59.98 60.23 1s5x h ARG 31 Cb 0.31 0.03 -0.09 0.00 0.08 0.00 0.00 29.97 30.30 1s5x h ARG 31 CO 0.00 -0.04 0.10 1.98 -1.07 0.00 0.00 179.97 180.94 1s5x h MET 32 N -0.18 0.22 -0.32 0.04 4.05 -1.04 0.22 114.93 117.92 1s5x h MET 32 Ca -0.01 -0.01 -0.08 0.00 -0.28 0.00 0.00 59.70 59.32 1s5x h MET 32 Cb 0.15 -0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 30.88 1s5x h MET 32 CO 0.02 0.15 -0.12 0.82 0.23 0.00 0.00 176.91 178.01 1s5x h ILE 33 N 0.23 1.24 0.01 1.77 2.04 -1.17 0.73 117.51 122.36 1s5x h ILE 33 Ca 0.31 -1.06 -0.02 0.00 1.00 0.00 0.00 64.86 65.09 1s5x h ILE 33 Cb 0.46 1.13 0.00 0.00 -0.74 0.00 0.00 36.82 37.67 1s5x h ILE 33 CO -0.41 0.35 -0.09 0.58 0.00 0.00 0.00 178.15 178.58 1s5x h VAL 34 N 0.51 1.69 0.00 1.67 2.07 -0.49 -3.34 116.25 118.37 1s5x h VAL 34 Ca 0.09 -2.14 -0.13 0.00 0.82 0.00 0.00 66.70 65.34 1s5x h VAL 34 Cb 0.52 3.13 -0.02 0.00 -1.52 0.00 0.00 31.29 33.40 1s5x h VAL 34 CO 0.03 0.56 -0.64 0.58 0.02 0.00 0.00 177.57 178.12 1s5x h VAL 35 N -0.82 1.23 -2.69 2.57 2.07 -0.62 -3.37 116.25 114.61 1s5x h VAL 35 Ca -0.01 -2.39 -0.61 0.00 0.82 0.00 0.00 66.70 64.51 1s5x h VAL 35 Cb 0.97 2.38 -0.41 0.00 -1.52 0.00 0.00 31.29 32.71 1s5x h VAL 35 CO 0.02 0.63 -0.69 -1.22 0.02 0.00 0.00 177.57 176.33 1s5x n TYR 36 N -3.44 2.32 -0.48 1.57 4.02 0.25 -4.97 117.16 116.43 1s5x n TYR 36 Ca 0.00 -4.05 0.39 0.00 -0.01 0.00 0.00 57.90 54.24 1s5x n TYR 36 Cb 0.72 -0.43 0.68 0.00 -0.02 0.00 0.00 39.34 40.29 1s5x n TYR 36 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 1s5x h PRO 37 N 5.07 0.07 0.00 -0.72 0.11 -1.75 0.10 132.00 134.89 1s5x h PRO 37 Ca 0.18 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1s5x h PRO 37 Cb 0.77 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.86 1s5x h PRO 37 CO 0.66 0.05 0.00 0.00 -0.21 0.00 0.00 178.00 178.50 1s5x n GLN 38 N -4.56 0.00 0.10 1.05 0.00 -1.26 -1.71 117.38 111.00 1s5x n GLN 38 Ca 0.38 0.45 0.12 0.00 0.00 0.00 0.00 57.00 57.94 1s5x n GLN 38 Cb 1.50 -1.50 0.02 0.00 0.00 0.00 0.00 30.24 30.26 1s5x n GLN 38 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.06 178.85 1s5x h THR 39 N 0.00 0.00 -1.00 -0.39 1.35 -1.28 -3.38 112.91 108.22 1s5x h THR 39 Ca 0.00 -0.95 0.10 0.00 -0.55 0.00 0.00 66.41 65.01 1s5x h THR 39 Cb 0.05 1.45 -0.08 0.00 -1.73 0.00 0.00 68.15 67.84 1s5x h THR 39 CO 0.00 0.00 0.63 0.11 -0.25 0.00 0.00 175.52 176.01 1s5x h LYS 40 N 0.00 1.04 -1.01 4.72 1.57 -1.52 -2.83 116.57 118.54 1s5x h LYS 40 Ca 0.00 -0.06 0.29 0.00 -1.87 0.00 0.00 60.65 59.01 1s5x h LYS 40 Cb 0.97 -0.23 -0.04 0.00 0.08 0.00 0.00 32.23 33.01 1s5x h LYS 40 CO 0.00 0.69 0.72 0.00 -0.57 0.00 0.00 179.45 180.29 1s5x h THR 41 N 1.07 0.50 0.00 -0.16 1.03 -1.76 0.11 112.91 113.69 1s5x h THR 41 Ca 0.47 -0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.86 1s5x h THR 41 Cb 0.34 0.49 0.00 0.00 -1.07 0.00 0.00 68.15 67.92 1s5x h THR 41 CO -0.22 0.00 0.00 1.88 -0.01 0.00 0.00 175.52 177.17 1s5x h TYR 42 N 0.00 0.00 -0.14 0.00 0.05 -1.80 -3.24 116.97 111.85 1s5x h TYR 42 Ca 0.48 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.26 1s5x h TYR 42 Cb 1.92 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.66 1s5x h TYR 42 CO -0.00 0.00 0.00 1.19 -1.05 0.00 0.00 178.16 178.30 1s5x n PHE 43 N -2.97 0.36 0.36 4.88 3.01 0.32 -4.70 117.46 118.72 1s5x n PHE 43 Ca 0.03 -0.75 0.07 0.00 1.01 0.00 0.00 57.45 57.80 1s5x n PHE 43 Cb 0.43 -0.15 0.30 0.00 -0.01 0.00 0.00 39.48 40.06 1s5x n PHE 43 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1s5x n SER 44 N -0.58 0.17 0.13 4.37 3.41 -0.95 -1.90 113.62 118.26 1s5x n SER 44 Ca 0.13 0.55 0.13 0.00 -0.26 0.00 0.00 58.87 59.42 1s5x n SER 44 Cb 0.58 -0.58 0.43 0.00 -0.26 0.00 0.00 64.21 64.38 1s5x n SER 44 CO 0.00 0.00 0.00 1.12 -0.16 0.00 0.00 175.04 176.00 1s5x h HIS 45 N 0.00 0.00 -3.72 7.33 2.07 -1.86 -3.44 115.15 115.54 1s5x h HIS 45 Ca 0.00 0.00 -0.50 0.00 -2.85 0.00 0.00 60.37 57.02 1s5x h HIS 45 Cb 0.21 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.16 1s5x h HIS 45 CO 0.00 0.00 0.28 -1.58 -3.07 0.00 0.00 177.93 173.56 1s5x s TRP 46 N -3.20 3.85 0.27 6.12 0.51 -0.80 -4.96 118.94 120.72 1s5x s TRP 46 Ca 0.08 1.76 0.03 0.00 -2.12 0.00 0.00 56.10 55.84 1s5x s TRP 46 Cb 0.11 -2.87 0.37 0.00 -0.81 0.00 0.00 33.47 30.26 1s5x s TRP 46 CO 0.54 0.39 1.68 -1.00 -0.51 0.00 0.00 176.95 178.04 1s5x h PRO 47 N 3.83 0.43 -4.45 4.98 0.13 -1.88 -3.41 132.00 131.62 1s5x h PRO 47 Ca -0.46 -0.19 -0.58 0.00 -0.87 0.00 0.00 66.00 63.90 1s5x h PRO 47 Cb 1.20 -0.01 -0.37 0.00 0.13 0.00 0.00 31.00 31.95 1s5x h PRO 47 CO 0.66 0.72 -0.81 0.34 -0.23 0.00 0.00 178.00 178.68 1s5x s ASP 48 N -6.84 2.71 -0.55 1.44 2.15 -1.26 -5.03 116.67 109.29 1s5x s ASP 48 Ca -0.06 -0.55 0.07 0.00 0.43 0.00 0.00 52.55 52.44 1s5x s ASP 48 Cb 0.13 -1.06 0.29 0.00 -0.30 0.00 0.00 42.92 41.99 1s5x s ASP 48 CO 0.79 -0.11 0.78 0.52 -0.17 0.00 0.00 175.17 176.98 1s5x n VAL 49 N 4.82 1.81 -4.25 1.11 0.31 -1.26 -4.64 118.33 116.22 1s5x n VAL 49 Ca -0.14 -5.08 -0.17 0.00 -0.01 0.00 0.00 64.34 58.94 1s5x n VAL 49 Cb 0.49 -1.59 -0.11 0.00 -0.91 0.00 0.00 33.84 31.72 1s5x n VAL 49 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1s5x s THR 50 N -2.95 1.33 0.23 2.52 -4.23 -1.26 -5.03 115.64 106.24 1s5x s THR 50 Ca 0.42 -1.86 0.05 0.00 -1.18 0.00 0.00 61.69 59.12 1s5x s THR 50 Cb 0.22 -1.66 0.28 0.00 1.34 0.00 0.00 72.50 72.68 1s5x s THR 50 CO -0.08 -0.52 1.09 -2.65 -0.54 0.00 0.00 174.62 171.92 1s5x n PRO 51 N 0.25 -0.05 0.01 3.99 -0.02 -1.26 -0.72 135.00 137.19 1s5x n PRO 51 Ca -0.13 1.01 -0.18 0.00 -2.02 0.00 0.00 63.50 62.19 1s5x n PRO 51 Cb 0.58 -1.67 -0.07 0.00 -0.02 0.00 0.00 33.50 32.32 1s5x n PRO 51 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1s5x h GLY 52 N 0.00 0.80 -0.65 -1.23 0.00 -1.98 -3.45 103.07 96.56 1s5x h GLY 52 Ca 0.47 -1.23 -0.09 0.00 0.00 0.00 0.00 47.33 46.48 1s5x h GLY 52 CO -0.62 1.09 -0.00 -1.26 0.00 0.00 0.00 176.54 175.75 1s5x n SER 53 N -3.89 -0.02 0.26 0.19 2.88 0.10 -4.68 113.62 108.46 1s5x n SER 53 Ca -0.08 0.13 0.14 0.00 -1.33 0.00 0.00 58.87 57.73 1s5x n SER 53 Cb 0.80 -0.10 0.58 0.00 -0.75 0.00 0.00 64.21 64.73 1s5x n SER 53 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1s5x h PRO 54 N 0.30 0.00 -0.23 -1.46 0.13 -1.89 -1.34 132.00 127.50 1s5x h PRO 54 Ca -0.05 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.92 1s5x h PRO 54 Cb 0.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.29 1s5x h PRO 54 CO 0.07 0.08 -0.49 0.45 -0.23 0.00 0.00 178.00 177.88 1s5x h HIS 55 N 0.00 0.93 -0.16 1.56 3.86 -1.89 0.15 115.15 119.61 1s5x h HIS 55 Ca -0.00 -0.34 -0.07 0.00 -1.16 0.00 0.00 60.37 58.80 1s5x h HIS 55 Cb 0.62 -0.17 -0.00 0.00 1.06 0.00 0.00 27.41 28.92 1s5x h HIS 55 CO 0.00 1.14 -0.17 0.82 0.86 0.00 0.00 177.93 180.58 1s5x h ILE 56 N 0.46 1.34 -0.46 2.45 2.04 -1.77 -0.14 117.51 121.43 1s5x h ILE 56 Ca 0.00 -1.34 0.06 0.00 1.00 0.00 0.00 64.86 64.59 1s5x h ILE 56 Cb 1.09 1.86 -0.06 0.00 -0.74 0.00 0.00 36.82 38.98 1s5x h ILE 56 CO 0.11 0.40 0.14 0.11 0.00 0.00 0.00 178.15 178.91 1s5x h LYS 57 N 0.03 0.30 -0.04 2.37 1.57 -1.24 0.32 116.57 119.88 1s5x h LYS 57 Ca 0.02 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1s5x h LYS 57 Cb 0.71 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.95 1s5x h LYS 57 CO 0.04 0.20 0.02 0.00 -0.57 0.00 0.00 179.45 179.14 1s5x h ALA 58 N 1.32 0.06 0.00 3.86 0.00 -0.59 -2.94 119.26 120.96 1s5x h ALA 58 Ca 0.22 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 1s5x h ALA 58 Cb 0.24 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1s5x h ALA 58 CO -0.24 -0.38 -0.35 1.25 0.00 0.00 0.00 179.25 179.53 1s5x h HIS 59 N -0.06 0.00 -0.86 0.00 -0.00 -0.59 -2.71 115.15 110.93 1s5x h HIS 59 Ca 0.01 0.00 0.08 0.00 -0.00 0.00 0.00 60.37 60.47 1s5x h HIS 59 Cb 0.13 0.00 -0.06 0.00 -0.00 0.00 0.00 27.41 27.48 1s5x h HIS 59 CO -0.03 0.35 0.56 0.78 -0.00 0.00 0.00 177.93 179.59 1s5x h GLY 60 N 1.32 1.21 0.96 5.26 0.00 -0.19 -1.53 103.07 110.11 1s5x h GLY 60 Ca -0.00 -0.36 -0.08 0.00 0.00 0.00 0.00 47.33 46.88 1s5x h GLY 60 CO 0.05 0.23 -0.10 0.50 0.00 0.00 0.00 176.54 177.21 1s5x h LYS 61 N 0.88 0.73 -0.68 4.80 1.57 -1.42 -2.71 116.57 119.74 1s5x h LYS 61 Ca 0.39 -0.28 -0.02 0.00 -1.87 0.00 0.00 60.65 58.86 1s5x h LYS 61 Cb 0.34 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.58 1s5x h LYS 61 CO -0.15 0.88 0.35 0.87 -0.57 0.00 0.00 179.45 180.82 1s5x h LYS 62 N 0.53 0.96 -0.10 3.15 1.57 -1.33 -1.54 116.57 119.80 1s5x h LYS 62 Ca 0.09 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1s5x h LYS 62 Cb 0.61 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.74 1s5x h LYS 62 CO 0.04 0.74 0.04 0.28 -0.57 0.00 0.00 179.45 179.98 1s5x h VAL 63 N 0.93 1.16 0.00 0.50 2.07 -1.29 -1.18 116.25 118.44 1s5x h VAL 63 Ca 0.24 -0.47 0.00 0.00 0.82 0.00 0.00 66.70 67.29 1s5x h VAL 63 Cb 0.08 1.28 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 1s5x h VAL 63 CO -0.03 0.14 0.00 0.24 0.02 0.00 0.00 177.57 177.93 1s5x h MET 64 N 0.00 0.00 0.00 1.57 2.86 -1.41 0.27 114.93 118.22 1s5x h MET 64 Ca 0.03 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.56 1s5x h MET 64 Cb 0.18 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.83 1s5x h MET 64 CO -0.00 0.00 -0.56 0.78 1.06 0.00 0.00 176.91 178.19 1s5x h GLY 65 N 1.55 0.00 1.11 8.32 0.00 -0.35 -1.24 103.07 112.46 1s5x h GLY 65 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.18 1s5x h GLY 65 CO 0.00 0.00 -0.32 -1.33 0.00 0.00 0.00 176.54 174.89 1s5x h GLY 66 N 2.98 1.03 0.89 4.60 0.00 0.68 -1.71 103.07 111.53 1s5x h GLY 66 Ca -0.01 -1.01 -0.01 0.00 0.00 0.00 0.00 47.33 46.31 1s5x h GLY 66 CO 0.07 0.91 0.07 -2.22 0.00 0.00 0.00 176.54 175.38 1s5x h ILE 67 N 0.77 1.16 -1.01 2.60 1.08 -1.15 -0.72 117.51 120.25 1s5x h ILE 67 Ca 0.08 -0.49 0.06 0.00 -0.39 0.00 0.00 64.86 64.12 1s5x h ILE 67 Cb 0.91 1.14 -0.07 0.00 -3.07 0.00 0.00 36.82 35.73 1s5x h ILE 67 CO 0.08 0.16 0.65 0.00 -0.69 0.00 0.00 178.15 178.35 1s5x h ALA 68 N 0.92 1.39 0.11 1.87 0.00 -1.17 0.33 119.26 122.72 1s5x h ALA 68 Ca 0.06 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1s5x h ALA 68 Cb 0.18 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1s5x h ALA 68 CO -0.01 0.46 -0.05 1.25 0.00 0.00 0.00 179.25 180.90 1s5x h LEU 69 N 1.19 -0.13 -0.94 0.00 5.85 -1.00 -2.34 115.31 117.94 1s5x h LEU 69 Ca 0.43 -0.09 0.09 0.00 0.84 0.00 0.00 57.88 59.16 1s5x h LEU 69 Cb 0.15 0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.13 1s5x h LEU 69 CO -0.17 0.01 0.59 0.00 -0.34 0.00 0.00 178.44 178.53 1s5x h ALA 70 N 0.62 1.36 -1.00 1.25 0.00 0.27 -0.01 119.26 121.75 1s5x h ALA 70 Ca -0.02 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1s5x h ALA 70 Cb 0.21 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 1s5x h ALA 70 CO 0.03 0.26 0.66 0.28 0.00 0.00 0.00 179.25 180.47 1s5x h VAL 71 N 0.99 1.26 0.00 0.00 2.07 -0.13 -0.10 116.25 120.34 1s5x h VAL 71 Ca 0.44 -0.46 -0.00 0.00 0.82 0.00 0.00 66.70 67.50 1s5x h VAL 71 Cb 0.34 -0.22 -0.00 0.00 -1.52 0.00 0.00 31.29 29.90 1s5x h VAL 71 CO -0.23 0.25 -0.01 0.77 0.02 0.00 0.00 177.57 178.37 1s5x h SER 72 N 1.36 0.00 -0.43 0.57 4.64 -0.52 -3.04 113.55 116.13 1s5x h SER 72 Ca 0.37 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.51 1s5x h SER 72 Cb -0.16 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 61.82 1s5x h SER 72 CO -0.08 0.01 0.05 0.29 -0.87 0.00 0.00 176.83 176.22 1s5x n LYS 73 N -3.10 2.25 0.25 4.77 4.76 -0.40 -4.73 118.16 121.96 1s5x n LYS 73 Ca 0.03 -3.08 0.16 0.00 -2.87 0.00 0.00 58.31 52.55 1s5x n LYS 73 Cb 0.44 -1.89 0.85 0.00 -1.84 0.00 0.00 35.03 32.58 1s5x n LYS 73 CO 0.00 0.00 0.00 0.97 -1.37 0.00 0.00 177.40 177.00 1s5x h ILE 74 N 1.29 0.00 0.00 -0.18 2.10 -0.92 0.04 117.51 119.83 1s5x h ILE 74 Ca 0.22 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.16 1s5x h ILE 74 Cb 1.79 0.69 0.00 0.00 -1.09 0.00 0.00 36.82 38.21 1s5x h ILE 74 CO 0.46 0.00 0.00 0.44 -1.08 0.00 0.00 178.15 177.97 1s5x h ASP 75 N 0.00 0.00 -1.28 2.19 3.32 -1.87 -3.40 116.42 115.38 1s5x h ASP 75 Ca 0.00 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.83 1s5x h ASP 75 Cb 0.09 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 39.43 1s5x h ASP 75 CO 0.00 0.00 -0.57 -0.62 -1.72 0.00 0.00 179.24 176.33 1s5x s ASP 76 N -6.12 -0.82 0.13 6.45 -1.08 -0.02 -5.01 116.67 110.21 1s5x s ASP 76 Ca 0.07 -1.75 -0.13 0.00 -0.52 0.00 0.00 52.55 50.23 1s5x s ASP 76 Cb 0.05 1.45 -0.03 0.00 -1.46 0.00 0.00 42.92 42.94 1s5x s ASP 76 CO 0.67 -0.11 1.52 -0.07 0.52 0.00 0.00 175.17 177.70 1s5x h LEU 77 N 5.64 0.85 -0.46 -1.34 3.38 -1.73 -0.87 115.31 120.77 1s5x h LEU 77 Ca 0.09 -0.39 0.09 0.00 0.09 0.00 0.00 57.88 57.76 1s5x h LEU 77 Cb 1.09 -0.23 -0.10 0.00 0.09 0.00 0.00 40.66 41.51 1s5x h LEU 77 CO 0.10 1.04 -0.31 0.50 0.09 0.00 0.00 178.44 179.86 1s5x h LYS 78 N 0.65 -0.20 -0.30 1.13 3.64 -1.90 0.12 116.57 119.71 1s5x h LYS 78 Ca 0.10 0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 59.37 1s5x h LYS 78 Cb 0.70 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.56 1s5x h LYS 78 CO 0.05 -0.13 -0.26 1.15 -2.27 0.00 0.00 179.45 177.98 1s5x h THR 79 N -0.21 1.30 0.00 1.00 2.02 -1.94 -2.86 112.91 112.22 1s5x h THR 79 Ca 0.20 -1.42 -0.03 0.00 0.77 0.00 0.00 66.41 65.92 1s5x h THR 79 Cb 0.53 1.54 -0.00 0.00 -1.74 0.00 0.00 68.15 68.48 1s5x h THR 79 CO -0.58 0.46 -0.14 1.23 0.37 0.00 0.00 175.52 176.85 1s5x h GLY 80 N 0.46 0.00 -1.10 2.16 0.00 -0.15 -3.11 103.07 101.34 1s5x h GLY 80 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 1s5x h GLY 80 CO 0.07 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.65 1s5x n LEU 81 N -4.03 2.88 -0.15 3.11 4.77 0.33 -4.74 117.00 119.17 1s5x n LEU 81 Ca -0.02 -2.12 -0.04 0.00 -0.03 0.00 0.00 56.01 53.79 1s5x n LEU 81 Cb 0.23 -0.23 0.02 0.00 -2.33 0.00 0.00 43.42 41.10 1s5x n LEU 81 CO 0.33 0.69 0.70 -0.03 -1.33 0.00 0.00 177.39 177.75 1s5x h MET 82 N 1.68 -0.12 -0.63 3.23 4.05 -1.43 -0.83 114.93 120.88 1s5x h MET 82 Ca 0.00 0.01 -0.07 0.00 -0.28 0.00 0.00 59.70 59.36 1s5x h MET 82 Cb 0.77 0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 31.57 1s5x h MET 82 CO 0.02 -0.08 0.12 0.93 0.23 0.00 0.00 176.91 178.14 1s5x h GLU 83 N -0.12 1.01 -0.04 0.39 5.08 -1.85 -1.00 114.58 118.05 1s5x h GLU 83 Ca 0.22 -0.25 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 1s5x h GLU 83 Cb 0.47 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 1s5x h GLU 83 CO -0.56 0.92 -0.16 -0.07 -1.00 0.00 0.00 179.01 178.14 1s5x h LEU 84 N 0.96 0.06 0.18 1.33 3.38 -1.71 -0.48 115.31 119.02 1s5x h LEU 84 Ca 0.20 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 1s5x h LEU 84 Cb 0.38 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1s5x h LEU 84 CO 0.01 0.23 -0.08 -1.28 0.09 0.00 0.00 178.44 177.41 1s5x h SER 85 N 0.06 -0.20 -0.72 -0.43 0.87 -0.42 -1.86 113.55 110.85 1s5x h SER 85 Ca 0.01 -0.30 0.10 0.00 -1.23 0.00 0.00 61.79 60.38 1s5x h SER 85 Cb 0.33 0.05 -0.07 0.00 -0.44 0.00 0.00 62.40 62.27 1s5x h SER 85 CO 0.02 0.23 0.35 -0.08 -0.53 0.00 0.00 176.83 176.82 1s5x h GLU 86 N -0.68 0.57 -0.05 2.24 4.57 -0.88 -0.28 114.58 120.07 1s5x h GLU 86 Ca -0.02 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.12 1s5x h GLU 86 Cb 0.49 -0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 28.95 1s5x h GLU 86 CO 0.04 0.38 0.03 0.37 -1.18 0.00 0.00 179.01 178.65 1s5x h GLN 87 N 0.58 0.07 -0.18 1.92 4.15 -1.04 -0.83 115.11 119.78 1s5x h GLN 87 Ca 0.36 -0.01 -0.11 0.00 0.77 0.00 0.00 58.65 59.67 1s5x h GLN 87 Cb 0.41 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.07 1s5x h GLN 87 CO -0.29 0.09 -0.37 0.45 -1.93 0.00 0.00 178.83 176.78 1s5x h HIS 88 N 0.03 0.46 0.04 3.99 3.86 -0.88 -1.34 115.15 121.31 1s5x h HIS 88 Ca 0.02 -0.12 -0.00 0.00 -1.16 0.00 0.00 60.37 59.11 1s5x h HIS 88 Cb 0.03 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 28.40 1s5x h HIS 88 CO -0.06 0.71 -0.02 0.00 0.86 0.00 0.00 177.93 179.42 1s5x h ALA 89 N 1.28 -0.05 0.00 2.45 0.00 -0.90 0.12 119.26 122.16 1s5x h ALA 89 Ca 0.04 -0.32 -0.36 0.00 0.00 0.00 0.00 54.91 54.26 1s5x h ALA 89 Cb 0.80 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.54 1s5x h ALA 89 CO 0.06 -0.17 -2.30 0.66 0.00 0.00 0.00 179.25 177.50 1s5x n TYR 90 N -4.78 0.18 -0.09 0.00 4.01 -0.33 -3.65 117.16 112.49 1s5x n TYR 90 Ca -0.09 0.06 -0.22 0.00 -0.16 0.00 0.00 57.90 57.49 1s5x n TYR 90 Cb 0.33 -1.03 -0.12 0.00 -0.31 0.00 0.00 39.34 38.21 1s5x n TYR 90 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 1s5x n LYS 91 N -2.89 0.60 0.05 -0.72 4.81 -0.96 -4.49 118.16 114.56 1s5x n LYS 91 Ca -0.33 0.50 0.11 0.00 -0.87 0.00 0.00 58.31 57.72 1s5x n LYS 91 Cb 1.11 -1.72 -0.04 0.00 0.02 0.00 0.00 35.03 34.40 1s5x n LYS 91 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1s5x n LEU 92 N -4.25 0.54 -3.87 3.14 4.77 -0.55 -5.00 117.00 111.79 1s5x n LEU 92 Ca -0.34 0.15 -0.29 0.00 -0.03 0.00 0.00 56.01 55.50 1s5x n LEU 92 Cb 0.76 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.80 1s5x n LEU 92 CO 0.22 -0.08 -0.18 0.54 -1.33 0.00 0.00 177.39 176.56 1s5x n ARG 93 N -2.39 -2.30 -2.81 3.23 1.74 -0.13 -4.93 116.66 109.07 1s5x n ARG 93 Ca -0.01 0.39 -0.42 0.00 -0.77 0.00 0.00 57.85 57.05 1s5x n ARG 93 Cb 0.53 -4.21 -0.03 0.00 -1.02 0.00 0.00 32.46 27.72 1s5x n ARG 93 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1s5x s VAL 94 N -3.76 4.88 0.22 1.55 1.01 0.24 -4.99 120.40 119.55 1s5x s VAL 94 Ca 0.21 1.83 -0.32 0.00 0.00 0.00 0.00 61.98 63.70 1s5x s VAL 94 Cb -0.08 -4.22 -0.12 0.00 0.00 0.00 0.00 36.38 31.96 1s5x s VAL 94 CO 0.89 0.11 1.68 -0.62 0.00 0.00 0.00 175.10 177.15 1s5x s ASP 95 N 1.02 6.40 0.63 3.32 -1.08 -1.26 -4.76 116.67 120.94 1s5x s ASP 95 Ca 0.45 2.86 0.41 0.00 -0.52 0.00 0.00 52.55 55.74 1s5x s ASP 95 Cb -0.19 -2.61 2.07 0.00 -1.46 0.00 0.00 42.92 40.74 1s5x s ASP 95 CO 0.20 -0.94 2.24 1.55 0.52 0.00 0.00 175.17 178.73 1s5x h PRO 96 N 6.42 0.00 0.00 4.34 0.13 -1.96 -2.96 132.00 137.97 1s5x h PRO 96 Ca -0.44 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1s5x h PRO 96 Cb 1.20 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 1s5x h PRO 96 CO 0.92 0.00 -0.02 0.00 -0.23 0.00 0.00 178.00 178.68 1s5x h ALA 97 N 2.00 1.10 0.00 -0.56 0.00 -2.03 -2.98 119.26 116.79 1s5x h ALA 97 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1s5x h ALA 97 Cb 0.17 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1s5x h ALA 97 CO 0.00 0.02 -0.06 0.09 0.00 0.00 0.00 179.25 179.30 1s5x n ASN 98 N -3.25 0.68 -0.27 0.00 4.13 -1.12 -3.95 115.26 111.48 1s5x n ASN 98 Ca -0.02 0.51 -0.03 0.00 1.68 0.00 0.00 54.58 56.72 1s5x n ASN 98 Cb 0.14 -0.65 0.09 0.00 -1.54 0.00 0.00 39.78 37.82 1s5x n ASN 98 CO 0.00 0.00 0.00 -0.26 0.28 0.00 0.00 177.26 177.28 1s5x h PHE 99 N 0.00 0.90 -0.20 3.10 0.04 -1.76 -1.97 116.94 117.04 1s5x h PHE 99 Ca 0.00 0.02 -0.08 0.00 2.80 0.00 0.00 57.97 60.71 1s5x h PHE 99 Cb 0.70 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 38.54 1s5x h PHE 99 CO 0.00 0.52 -0.23 1.57 -0.60 0.00 0.00 178.31 179.57 1s5x h LYS 100 N 0.94 0.37 0.16 1.51 2.10 -1.81 -2.01 116.57 117.83 1s5x h LYS 100 Ca 0.30 -0.13 -0.01 0.00 -2.00 0.00 0.00 60.65 58.82 1s5x h LYS 100 Cb 0.01 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 31.31 1s5x h LYS 100 CO -0.11 0.59 -0.08 0.82 -2.00 0.00 0.00 179.45 178.67 1s5x h ILE 101 N 0.33 0.90 -0.78 0.07 2.04 -1.56 -1.44 117.51 117.07 1s5x h ILE 101 Ca 0.05 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.67 1s5x h ILE 101 Cb 0.59 1.05 -0.04 0.00 -0.74 0.00 0.00 36.82 37.69 1s5x h ILE 101 CO 0.04 0.06 0.50 0.25 0.00 0.00 0.00 178.15 179.00 1s5x h LEU 102 N -0.33 0.92 -0.64 1.44 5.85 -1.33 -1.87 115.31 119.35 1s5x h LEU 102 Ca -0.02 -0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.66 1s5x h LEU 102 Cb 0.26 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 1s5x h LEU 102 CO 0.04 0.68 0.39 0.78 -0.34 0.00 0.00 178.44 179.99 1s5x h ASN 103 N 1.07 0.76 -0.67 1.25 -0.26 -1.01 -0.60 115.58 116.11 1s5x h ASN 103 Ca 0.28 -0.06 -0.04 0.00 -0.56 0.00 0.00 56.30 55.92 1s5x h ASN 103 Cb -0.08 -0.19 -0.03 0.00 -1.06 0.00 0.00 38.32 36.95 1s5x h ASN 103 CO -0.06 0.60 0.26 -0.74 -1.06 0.00 0.00 177.43 176.43 1s5x h HIS 104 N 0.87 1.05 -0.41 1.19 2.76 -0.73 -1.33 115.15 118.55 1s5x h HIS 104 Ca 0.23 -0.08 -0.08 0.00 -2.20 0.00 0.00 60.37 58.24 1s5x h HIS 104 Cb -0.03 -0.32 -0.02 0.00 1.55 0.00 0.00 27.41 28.59 1s5x h HIS 104 CO -0.02 0.81 -0.08 0.00 -1.30 0.00 0.00 177.93 177.35 1s5x h ILE 106 N 0.65 1.25 -0.78 0.00 2.04 -0.63 0.12 117.51 120.17 1s5x h ILE 106 Ca 0.12 -0.90 -0.04 0.00 1.00 0.00 0.00 64.86 65.04 1s5x h ILE 106 Cb 0.52 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 37.16 1s5x h ILE 106 CO 0.03 0.34 0.31 -0.07 0.00 0.00 0.00 178.15 178.76 1s5x h LEU 107 N 0.96 1.07 -0.12 1.44 3.38 -0.70 0.15 115.31 121.49 1s5x h LEU 107 Ca 0.21 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1s5x h LEU 107 Cb 0.33 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1s5x h LEU 107 CO -0.00 0.95 0.03 0.58 0.09 0.00 0.00 178.44 180.09 1s5x h VAL 108 N 1.13 1.19 0.12 1.22 2.07 -0.93 -1.41 116.25 119.64 1s5x h VAL 108 Ca 0.26 -0.58 0.01 0.00 0.82 0.00 0.00 66.70 67.21 1s5x h VAL 108 Cb 0.21 1.34 -0.03 0.00 -1.52 0.00 0.00 31.29 31.30 1s5x h VAL 108 CO -0.02 0.17 -0.20 0.58 0.02 0.00 0.00 177.57 178.12 1s5x h VAL 109 N 0.01 0.55 -0.72 2.57 2.07 -0.36 -1.20 116.25 119.17 1s5x h VAL 109 Ca 0.04 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.68 1s5x h VAL 109 Cb 0.24 0.55 -0.05 0.00 -1.52 0.00 0.00 31.29 30.51 1s5x h VAL 109 CO -0.00 0.00 0.48 0.40 0.02 0.00 0.00 177.57 178.47 1s5x h ILE 110 N -0.39 0.85 -0.10 4.57 2.04 -0.64 -1.17 117.51 122.67 1s5x h ILE 110 Ca 0.02 -0.16 -0.15 0.00 1.00 0.00 0.00 64.86 65.57 1s5x h ILE 110 Cb 0.40 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 1s5x h ILE 110 CO -0.11 0.08 -0.59 -1.28 0.00 0.00 0.00 178.15 176.26 1s5x h SER 111 N 0.46 0.38 0.28 1.72 0.87 -0.31 -0.02 113.55 116.94 1s5x h SER 111 Ca 0.34 -0.21 -0.18 0.00 -1.23 0.00 0.00 61.79 60.51 1s5x h SER 111 Cb 0.70 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.54 1s5x h SER 111 CO -0.11 0.88 -0.74 0.71 -0.53 0.00 0.00 176.83 177.04 1s5x h THR 112 N 0.25 1.39 0.10 2.23 1.35 -0.11 -3.17 112.91 114.95 1s5x h THR 112 Ca -0.00 -2.17 -0.29 0.00 -0.55 0.00 0.00 66.41 63.40 1s5x h THR 112 Cb 1.10 2.14 -0.01 0.00 -1.73 0.00 0.00 68.15 69.65 1s5x h THR 112 CO 0.10 0.65 -1.43 0.24 -0.25 0.00 0.00 175.52 174.82 1s5x h MET 113 N 0.26 0.21 -2.12 4.72 2.07 -1.28 -3.40 114.93 115.39 1s5x h MET 113 Ca -0.03 -0.37 -0.56 0.00 -2.07 0.00 0.00 59.70 56.67 1s5x h MET 113 Cb 1.32 0.14 -0.41 0.00 -1.87 0.00 0.00 31.60 30.78 1s5x h MET 113 CO 0.13 1.08 -0.88 1.19 1.07 0.00 0.00 176.91 179.50 1s5x n PHE 114 N -3.43 1.91 0.01 -0.22 3.01 -0.03 -4.91 117.46 113.80 1s5x n PHE 114 Ca -0.13 -3.89 0.08 0.00 1.01 0.00 0.00 57.45 54.52 1s5x n PHE 114 Cb 1.03 -0.46 0.50 0.00 -0.01 0.00 0.00 39.48 40.54 1s5x n PHE 114 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1s5x h PRO 115 N 3.52 0.39 -0.20 -1.08 0.13 -1.75 -1.47 132.00 131.54 1s5x h PRO 115 Ca 0.13 -0.02 -0.19 0.00 -0.87 0.00 0.00 66.00 65.04 1s5x h PRO 115 Cb 0.75 -0.09 0.01 0.00 0.13 0.00 0.00 31.00 31.80 1s5x h PRO 115 CO 0.66 0.25 -0.61 -0.22 -0.23 0.00 0.00 178.00 177.85 1s5x h LYS 116 N 0.40 0.77 0.05 0.86 3.11 -1.91 -3.33 116.57 116.52 1s5x h LYS 116 Ca 0.18 -0.56 -0.26 0.00 -2.81 0.00 0.00 60.65 57.20 1s5x h LYS 116 Cb 0.21 0.09 0.01 0.00 -1.00 0.00 0.00 32.23 31.55 1s5x h LYS 116 CO -0.04 1.18 -1.09 0.93 -2.81 0.00 0.00 179.45 177.62 1s5x h GLU 117 N 0.50 0.50 -4.05 1.90 3.07 -1.87 -3.39 114.58 111.24 1s5x h GLU 117 Ca -0.02 -0.61 -0.66 0.00 -0.50 0.00 0.00 59.36 57.57 1s5x h GLU 117 Cb 1.23 0.19 0.01 0.00 -0.84 0.00 0.00 28.75 29.34 1s5x h GLU 117 CO 0.13 1.24 2.84 0.34 -1.40 0.00 0.00 179.01 182.16 1s5x n PHE 118 N -3.75 2.62 -1.54 4.33 7.35 -0.59 -4.83 117.46 121.04 1s5x n PHE 118 Ca -0.10 -2.46 -0.29 0.00 -0.76 0.00 0.00 57.45 53.85 1s5x n PHE 118 Cb 0.91 -2.15 0.12 0.00 0.35 0.00 0.00 39.48 38.71 1s5x n PHE 118 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1s5x s THR 119 N 3.81 2.25 0.33 -2.13 -4.23 -1.26 -4.77 115.64 109.64 1s5x s THR 119 Ca 0.52 0.08 0.04 0.00 -1.18 0.00 0.00 61.69 61.15 1s5x s THR 119 Cb 0.14 -2.83 0.15 0.00 1.34 0.00 0.00 72.50 71.30 1s5x s THR 119 CO -0.00 -0.10 1.86 1.55 -0.54 0.00 0.00 174.62 177.39 1s5x h PRO 120 N -1.40 0.53 -0.17 3.99 0.13 -1.98 0.13 132.00 133.22 1s5x h PRO 120 Ca -0.50 -0.12 -0.05 0.00 -0.87 0.00 0.00 66.00 64.47 1s5x h PRO 120 Cb 1.32 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 1s5x h PRO 120 CO 0.61 0.57 -0.11 0.93 -0.23 0.00 0.00 178.00 179.77 1s5x h GLU 121 N 0.50 0.27 0.11 0.86 3.07 -1.97 -1.65 114.58 115.78 1s5x h GLU 121 Ca 0.11 -0.06 -0.28 0.00 -0.50 0.00 0.00 59.36 58.63 1s5x h GLU 121 Cb 0.35 -0.04 0.02 0.00 -0.84 0.00 0.00 28.75 28.24 1s5x h GLU 121 CO 0.01 0.40 -1.19 0.00 -1.40 0.00 0.00 179.01 176.83 1s5x h ALA 122 N 1.63 0.10 -0.06 3.43 0.00 -1.71 -3.28 119.26 119.37 1s5x h ALA 122 Ca 0.05 -0.80 0.01 0.00 0.00 0.00 0.00 54.91 54.18 1s5x h ALA 122 Cb 0.36 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1s5x h ALA 122 CO 0.02 0.80 -0.03 1.25 0.00 0.00 0.00 179.25 181.29 1s5x h HIS 123 N 0.20 -0.07 -0.78 0.00 6.17 -0.67 -1.40 115.15 118.60 1s5x h HIS 123 Ca -0.15 0.01 -0.01 0.00 0.71 0.00 0.00 60.37 60.93 1s5x h HIS 123 Cb 1.87 0.04 -0.04 0.00 2.52 0.00 0.00 27.41 31.80 1s5x h HIS 123 CO 0.09 -0.05 0.46 -0.24 0.71 0.00 0.00 177.93 178.89 1s5x h VAL 124 N -0.03 1.22 -0.35 5.26 3.04 -1.40 0.14 116.25 124.15 1s5x h VAL 124 Ca 0.03 -0.52 -0.13 0.00 -1.01 0.00 0.00 66.70 65.07 1s5x h VAL 124 Cb 0.08 0.15 -0.01 0.00 -2.01 0.00 0.00 31.29 29.51 1s5x h VAL 124 CO -0.08 0.24 -0.31 0.28 -1.01 0.00 0.00 177.57 176.70 1s5x h SER 125 N 1.07 0.87 -0.64 3.17 0.02 -1.60 -0.95 113.55 115.50 1s5x h SER 125 Ca 0.28 -0.46 -0.05 0.00 -0.84 0.00 0.00 61.79 60.73 1s5x h SER 125 Cb -0.01 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.25 1s5x h SER 125 CO -0.05 1.14 0.22 0.25 -1.14 0.00 0.00 176.83 177.25 1s5x h LEU 126 N 0.61 0.91 -0.74 5.07 5.85 -0.97 0.29 115.31 126.33 1s5x h LEU 126 Ca 0.06 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 1s5x h LEU 126 Cb 0.88 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.64 1s5x h LEU 126 CO 0.08 0.87 0.43 -0.78 -0.34 0.00 0.00 178.44 178.69 1s5x h ASP 127 N 0.91 0.90 -0.41 1.25 3.58 -0.62 0.53 116.42 122.56 1s5x h ASP 127 Ca 0.21 -0.08 -0.08 0.00 0.42 0.00 0.00 57.03 57.50 1s5x h ASP 127 Cb 0.27 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.07 1s5x h ASP 127 CO -0.01 0.71 -0.03 0.11 -2.88 0.00 0.00 179.24 177.14 1s5x h LYS 128 N 1.01 0.83 0.19 0.28 1.57 -0.74 -1.34 116.57 118.37 1s5x h LYS 128 Ca 0.26 -0.24 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1s5x h LYS 128 Cb -0.00 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.22 1s5x h LYS 128 CO -0.05 0.85 -0.09 0.35 -0.57 0.00 0.00 179.45 179.94 1s5x h PHE 129 N 0.76 -0.24 -0.01 -1.35 3.57 -0.07 -1.85 116.94 117.76 1s5x h PHE 129 Ca 0.14 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 1s5x h PHE 129 Cb 0.51 0.08 -0.00 0.00 2.79 0.00 0.00 35.95 39.32 1s5x h PHE 129 CO 0.03 0.04 -0.05 -0.07 -2.23 0.00 0.00 178.31 176.03 1s5x h LEU 130 N -0.50 0.01 -0.65 0.59 3.38 0.17 0.17 115.31 118.48 1s5x h LEU 130 Ca -0.03 -0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.81 1s5x h LEU 130 Cb 0.38 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1s5x h LEU 130 CO 0.04 0.06 -0.38 0.28 0.09 0.00 0.00 178.44 178.53 1s5x h SER 131 N 0.01 0.65 -0.76 -0.43 0.02 -1.08 -1.08 113.55 110.88 1s5x h SER 131 Ca 0.00 -0.28 -0.02 0.00 -0.84 0.00 0.00 61.79 60.65 1s5x h SER 131 Cb 0.09 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 62.41 1s5x h SER 131 CO 0.01 0.97 0.41 1.23 -1.14 0.00 0.00 176.83 178.31 1s5x h GLY 132 N 1.02 1.13 0.94 -3.77 0.00 -0.18 0.93 103.07 103.14 1s5x h GLY 132 Ca 0.05 -0.52 -0.03 0.00 0.00 0.00 0.00 47.33 46.83 1s5x h GLY 132 CO 0.08 0.50 0.14 -2.08 0.00 0.00 0.00 176.54 175.18 1s5x h VAL 133 N 1.05 1.21 -0.19 4.60 2.07 -0.69 0.13 116.25 124.43 1s5x h VAL 133 Ca 0.27 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 67.13 1s5x h VAL 133 Cb 0.04 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 1s5x h VAL 133 CO -0.04 0.24 0.12 0.00 0.02 0.00 0.00 177.57 177.91 1s5x h ALA 134 N 0.99 0.24 -0.51 1.67 0.00 -0.82 0.55 119.26 121.38 1s5x h ALA 134 Ca 0.13 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.05 1s5x h ALA 134 Cb 0.23 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 1s5x h ALA 134 CO -0.01 -0.27 0.29 -0.07 0.00 0.00 0.00 179.25 179.20 1s5x h LEU 135 N 0.25 0.47 -0.55 0.00 -0.00 -0.61 -1.23 115.31 113.63 1s5x h LEU 135 Ca 0.07 0.01 -0.01 0.00 -0.00 0.00 0.00 57.88 57.95 1s5x h LEU 135 Cb -0.02 -0.09 -0.03 0.00 -0.00 0.00 0.00 40.66 40.53 1s5x h LEU 135 CO -0.01 0.33 0.31 0.00 -0.00 0.00 0.00 178.44 179.06 1s5x h ALA 136 N 1.23 0.70 -0.01 1.53 0.00 -0.33 -2.61 119.26 119.78 1s5x h ALA 136 Ca 0.21 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 1s5x h ALA 136 Cb 0.04 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1s5x h ALA 136 CO -0.10 0.21 -0.27 -0.07 0.00 0.00 0.00 179.25 179.02 1s5x h LEU 137 N 0.74 0.02 -0.07 0.00 3.38 -0.56 -2.71 115.31 116.11 1s5x h LEU 137 Ca 0.19 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1s5x h LEU 137 Cb 0.03 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1s5x h LEU 137 CO -0.03 0.29 0.00 0.00 0.09 0.00 0.00 178.44 178.78 1s5x n ALA 138 N -2.49 2.20 -0.30 1.53 0.00 -0.50 -4.28 120.51 116.67 1s5x n ALA 138 Ca -0.02 -0.04 0.07 0.00 0.00 0.00 0.00 53.44 53.45 1s5x n ALA 138 Cb 0.32 -1.45 0.18 0.00 0.00 0.00 0.00 19.45 18.51 1s5x n ALA 138 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1s5x h GLU 139 N 0.00 0.04 -0.28 0.00 4.57 -1.20 -1.86 114.58 115.85 1s5x h GLU 139 Ca 0.00 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1s5x h GLU 139 Cb 0.58 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.16 1s5x h GLU 139 CO 0.00 0.03 0.00 0.54 -1.18 0.00 0.00 179.01 178.40 1s5x n ARG 140 N -5.46 1.80 0.06 1.92 5.12 -1.26 -4.30 116.66 114.53 1s5x n ARG 140 Ca 0.16 -1.22 -0.03 0.00 -1.93 0.00 0.00 57.85 54.83 1s5x n ARG 140 Cb 0.55 -1.34 0.22 0.00 -1.16 0.00 0.00 32.46 30.73 1s5x n ARG 140 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 1s5x h TYR 141 N 2.19 0.41 0.00 -1.55 0.05 -1.62 -3.48 116.97 112.96 1s5x h TYR 141 Ca 0.00 -0.10 0.00 0.00 0.05 0.00 0.00 58.73 58.68 1s5x h TYR 141 Cb 0.49 -0.10 0.00 0.00 1.01 0.00 0.00 36.73 38.14 1s5x h TYR 141 CO 0.18 0.65 0.00 2.89 -1.05 0.00 0.00 178.16 180.83