#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kpq h VAL 3 N 0.00 0.00 -0.00 0.00 2.07 -1.98 -3.51 116.25 112.83 1kpq h VAL 3 Ca 0.00 -0.91 0.00 0.00 0.82 0.00 0.00 66.70 66.61 1kpq h VAL 3 Cb 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.77 1kpq h VAL 3 CO 0.00 0.00 0.00 -1.54 0.02 0.00 0.00 177.57 176.05 1kpq n SER 4 N -4.48 0.00 0.24 0.57 3.41 -1.26 -4.95 113.62 107.15 1kpq n SER 4 Ca -0.03 0.00 0.15 0.00 -0.26 0.00 0.00 58.87 58.73 1kpq n SER 4 Cb 0.11 0.00 0.78 0.00 -0.26 0.00 0.00 64.21 64.84 1kpq n SER 4 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 1kpq h GLU 5 N 0.00 0.00 0.14 4.33 4.11 -1.98 -0.81 114.58 120.37 1kpq h GLU 5 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.42 1kpq h GLU 5 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1kpq h GLU 5 CO 0.00 0.00 -0.07 0.77 0.07 0.00 0.00 179.01 179.78 1kpq h SER 6 N 0.00 -0.15 0.39 3.06 0.02 -1.98 -2.08 113.55 112.80 1kpq h SER 6 Ca 0.00 -0.38 -0.02 0.00 -0.84 0.00 0.00 61.79 60.55 1kpq h SER 6 Cb 0.19 0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.77 1kpq h SER 6 CO 0.00 0.44 -0.19 -0.61 -1.14 0.00 0.00 176.83 175.33 1kpq h GLN 7 N -0.89 -0.50 -0.74 3.45 5.75 -1.66 0.45 115.11 120.96 1kpq h GLN 7 Ca -0.02 0.03 0.16 0.00 -0.15 0.00 0.00 58.65 58.68 1kpq h GLN 7 Cb 0.52 0.11 -0.11 0.00 1.07 0.00 0.00 27.48 29.08 1kpq h GLN 7 CO 0.03 -0.23 0.18 -0.07 -2.65 0.00 0.00 178.83 176.09 1kpq h LEU 8 N -0.73 0.00 0.67 -2.39 -0.00 -1.34 1.48 115.31 113.00 1kpq h LEU 8 Ca -0.05 0.15 -0.03 0.00 -0.00 0.00 0.00 57.88 57.94 1kpq h LEU 8 Cb 0.51 0.20 0.01 0.00 -0.00 0.00 0.00 40.66 41.38 1kpq h LEU 8 CO 0.09 -0.05 -0.32 0.50 -0.00 0.00 0.00 178.44 178.66 1kpq h LYS 9 N 0.26 -0.86 -0.33 1.13 3.64 -1.21 0.45 116.57 119.65 1kpq h LYS 9 Ca 0.42 0.06 0.10 0.00 -1.27 0.00 0.00 60.65 59.96 1kpq h LYS 9 Cb 0.73 0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.73 1kpq h LYS 9 CO -0.52 -0.55 0.43 0.87 -2.27 0.00 0.00 179.45 177.41 1kpq h LYS 10 N -1.16 0.00 0.16 1.90 1.57 0.93 0.84 116.57 120.81 1kpq h LYS 10 Ca -0.09 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.44 1kpq h LYS 10 Cb 0.71 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.04 1kpq h LYS 10 CO 0.15 0.00 -1.15 0.52 -0.57 0.00 0.00 179.45 178.40 1kpq h MET 11 N 0.00 0.34 -0.50 3.15 2.86 0.25 -3.26 114.93 117.77 1kpq h MET 11 Ca 0.16 -0.59 0.00 0.00 -2.06 0.00 0.00 59.70 57.21 1kpq h MET 11 Cb 1.02 0.22 0.00 0.00 0.06 0.00 0.00 31.60 32.89 1kpq h MET 11 CO -0.00 1.28 0.00 1.33 1.06 0.00 0.00 176.91 180.58 1kpq n VAL 12 N -3.96 0.75 0.11 -2.22 0.24 0.15 -3.80 118.33 109.60 1kpq n VAL 12 Ca -0.18 -0.54 -0.21 0.00 -2.04 0.00 0.00 64.34 61.38 1kpq n VAL 12 Cb 0.92 0.03 -0.13 0.00 -1.47 0.00 0.00 33.84 33.18 1kpq n VAL 12 CO 0.00 0.00 0.00 -1.28 -2.14 0.00 0.00 176.83 173.41 1kpq h SER 13 N 2.02 0.72 0.73 -1.34 0.87 0.50 -3.21 113.55 113.84 1kpq h SER 13 Ca 0.00 -0.72 -0.11 0.00 -1.23 0.00 0.00 61.79 59.73 1kpq h SER 13 Cb 0.72 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 62.43 1kpq h SER 13 CO 0.08 1.54 -0.53 0.11 -0.53 0.00 0.00 176.83 177.50 1kpq h LYS 14 N 0.18 0.00 -6.95 2.24 1.57 -1.75 -3.45 116.57 108.42 1kpq h LYS 14 Ca -0.19 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.04 1kpq h LYS 14 Cb 1.98 0.00 0.14 0.00 0.08 0.00 0.00 32.23 34.42 1kpq h LYS 14 CO 0.23 0.53 0.52 0.66 -0.57 0.00 0.00 179.45 180.82 1kpq n TYR 15 N -3.68 2.09 -0.06 -1.35 4.02 -1.21 -4.96 117.16 112.01 1kpq n TYR 15 Ca -0.01 0.45 -0.05 0.00 -0.01 0.00 0.00 57.90 58.28 1kpq n TYR 15 Cb 0.58 -2.34 -0.04 0.00 -0.02 0.00 0.00 39.34 37.52 1kpq n TYR 15 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 176.86 175.63 1kpq h LYS 16 N 1.55 0.00 -1.87 -0.72 3.64 -1.72 -3.35 116.57 114.10 1kpq h LYS 16 Ca -0.50 0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 58.63 1kpq h LYS 16 Cb 1.31 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 33.03 1kpq h LYS 16 CO 0.57 0.26 0.10 0.66 -2.27 0.00 0.00 179.45 178.78 1kpq n TYR 17 N -4.70 0.78 0.08 1.91 4.01 -0.96 -4.60 117.16 113.69 1kpq n TYR 17 Ca -0.05 -1.61 -0.04 0.00 -0.16 0.00 0.00 57.90 56.04 1kpq n TYR 17 Cb 0.19 -1.12 -0.02 0.00 -0.31 0.00 0.00 39.34 38.08 1kpq n TYR 17 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 1kpq h ARG 18 N 2.12 -0.24 -1.59 -0.72 2.43 -1.82 1.46 114.38 116.01 1kpq h ARG 18 Ca 0.22 0.02 0.46 0.00 -0.81 0.00 0.00 59.98 59.87 1kpq h ARG 18 Cb 1.05 0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 30.59 1kpq h ARG 18 CO 0.47 -0.16 1.25 -0.44 -1.51 0.00 0.00 179.97 179.57 1kpq h ASP 19 N -0.25 0.00 0.01 -3.80 3.32 -1.90 1.78 116.42 115.57 1kpq h ASP 19 Ca -0.02 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.98 1kpq h ASP 19 Cb 0.21 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 1kpq h ASP 19 CO 0.00 0.00 -0.26 0.25 -1.72 0.00 0.00 179.24 177.51 1kpq h LEU 20 N 0.00 0.02 0.09 1.55 6.46 -1.57 -2.34 115.31 119.51 1kpq h LEU 20 Ca 0.76 -0.91 -0.00 0.00 -0.12 0.00 0.00 57.88 57.60 1kpq h LEU 20 Cb 3.24 -0.01 0.00 0.00 -0.73 0.00 0.00 40.66 43.17 1kpq h LEU 20 CO -0.01 1.11 -0.04 0.74 -0.62 0.00 0.00 178.44 179.62 1kpq h THR 21 N -0.97 1.01 -0.73 1.05 2.02 1.13 0.34 112.91 116.76 1kpq h THR 21 Ca -0.07 -0.35 0.03 0.00 0.77 0.00 0.00 66.41 66.80 1kpq h THR 21 Cb 1.08 1.24 -0.05 0.00 -1.74 0.00 0.00 68.15 68.69 1kpq h THR 21 CO -0.03 0.09 0.46 0.58 0.37 0.00 0.00 175.52 176.98 1kpq h VAL 22 N -0.27 1.09 0.10 3.16 2.07 0.19 0.62 116.25 123.21 1kpq h VAL 22 Ca -0.01 -0.31 -0.00 0.00 0.82 0.00 0.00 66.70 67.20 1kpq h VAL 22 Cb 0.23 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.13 1kpq h VAL 22 CO 0.02 0.16 -0.05 -0.09 0.02 0.00 0.00 177.57 177.63 1kpq h ARG 23 N 0.89 -0.13 -0.51 1.57 2.43 -1.18 0.58 114.38 118.03 1kpq h ARG 23 Ca 0.29 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.45 1kpq h ARG 23 Cb 0.03 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.58 1kpq h ARG 23 CO -0.11 0.01 0.24 1.49 -1.51 0.00 0.00 179.97 180.08 1kpq h GLU 24 N -0.24 0.72 0.51 0.20 4.57 0.13 -2.40 114.58 118.07 1kpq h GLU 24 Ca -0.01 -0.09 -0.03 0.00 -1.18 0.00 0.00 59.36 58.05 1kpq h GLU 24 Cb 0.20 -0.14 0.01 0.00 -0.16 0.00 0.00 28.75 28.65 1kpq h GLU 24 CO 0.02 0.57 -0.25 1.15 -1.18 0.00 0.00 179.01 179.33 1kpq h THR 25 N 0.72 0.03 -1.07 0.32 2.02 0.60 -0.75 112.91 114.78 1kpq h THR 25 Ca 0.18 -0.50 0.42 0.00 0.77 0.00 0.00 66.41 67.27 1kpq h THR 25 Cb 0.09 0.04 -0.17 0.00 -1.74 0.00 0.00 68.15 66.38 1kpq h THR 25 CO -0.02 0.01 0.61 1.62 0.37 0.00 0.00 175.52 178.10 1kpq h VAL 26 N -1.18 0.05 0.39 3.16 3.04 0.25 0.31 116.25 122.27 1kpq h VAL 26 Ca -0.07 -0.02 -0.02 0.00 -1.01 0.00 0.00 66.70 65.58 1kpq h VAL 26 Cb 0.54 -0.01 0.00 0.00 -2.01 0.00 0.00 31.29 29.82 1kpq h VAL 26 CO 0.12 0.01 -0.19 -1.13 -1.01 0.00 0.00 177.57 175.37 1kpq h ASN 27 N 0.05 -0.45 -0.97 3.17 -0.73 -1.38 0.52 115.58 115.79 1kpq h ASN 27 Ca 0.84 0.02 0.15 0.00 1.87 0.00 0.00 56.30 59.17 1kpq h ASN 27 Cb 2.27 0.12 -0.15 0.00 0.27 0.00 0.00 38.32 40.82 1kpq h ASN 27 CO -0.69 -0.10 -0.39 0.52 -0.37 0.00 0.00 177.43 176.41 1kpq n VAL 28 N -4.66 -0.52 0.21 2.57 0.31 0.72 0.17 118.33 117.12 1kpq n VAL 28 Ca -0.07 2.27 -0.14 0.00 -0.01 0.00 0.00 64.34 66.40 1kpq n VAL 28 Cb 0.21 -2.99 -0.08 0.00 -0.91 0.00 0.00 33.84 30.07 1kpq n VAL 28 CO 0.00 0.00 0.00 0.16 -1.32 0.00 0.00 176.83 175.67 1kpq h ILE 29 N 0.00 0.58 -0.88 2.52 3.07 -0.63 0.47 117.51 122.65 1kpq h ILE 29 Ca 0.33 -0.43 0.23 0.00 1.55 0.00 0.00 64.86 66.54 1kpq h ILE 29 Cb 0.57 0.78 -0.15 0.00 -0.27 0.00 0.00 36.82 37.75 1kpq h ILE 29 CO -0.96 0.08 0.19 0.74 -1.05 0.00 0.00 178.15 177.14 1kpq h THR 30 N -0.79 0.28 -0.17 0.16 2.02 0.31 0.72 112.91 115.44 1kpq h THR 30 Ca -0.05 -0.06 -0.18 0.00 0.77 0.00 0.00 66.41 66.89 1kpq h THR 30 Cb 0.53 0.10 0.01 0.00 -1.74 0.00 0.00 68.15 67.04 1kpq h THR 30 CO 0.09 0.03 -0.60 0.25 0.37 0.00 0.00 175.52 175.66 1kpq h LEU 31 N 0.17 0.82 -6.92 2.58 6.46 0.19 -3.39 115.31 115.22 1kpq h LEU 31 Ca 0.54 -0.60 -0.61 0.00 -0.12 0.00 0.00 57.88 57.09 1kpq h LEU 31 Cb 1.09 -0.24 -0.40 0.00 -0.73 0.00 0.00 40.66 40.38 1kpq h LEU 31 CO -0.69 1.28 -0.74 -0.31 -0.62 0.00 0.00 178.44 177.37 1kpq s TYR 32 N -3.85 2.23 0.27 1.25 1.51 0.20 -4.95 117.35 114.01 1kpq s TYR 32 Ca -0.11 -2.64 -0.01 0.00 -1.01 0.00 0.00 57.07 53.30 1kpq s TYR 32 Cb 0.08 -1.95 0.50 0.00 -0.11 0.00 0.00 41.96 40.48 1kpq s TYR 32 CO 0.87 -0.74 1.82 0.87 -1.11 0.00 0.00 175.55 177.26 1kpq h LYS 33 N 6.25 0.87 -0.95 -0.62 1.79 -0.28 -0.34 116.57 123.30 1kpq h LYS 33 Ca 0.07 -0.05 0.27 0.00 -2.18 0.00 0.00 60.65 58.75 1kpq h LYS 33 Cb 0.89 -0.20 -0.17 0.00 -1.58 0.00 0.00 32.23 31.17 1kpq h LYS 33 CO 0.52 0.57 0.10 -0.44 -1.08 0.00 0.00 179.45 179.13 1kpq h ASP 34 N 0.89 -0.33 -2.97 0.86 3.32 -1.93 -3.37 116.42 112.90 1kpq h ASP 34 Ca 0.46 0.26 -0.53 0.00 0.02 0.00 0.00 57.03 57.24 1kpq h ASP 34 Cb 0.46 0.42 0.04 0.00 0.22 0.00 0.00 39.33 40.47 1kpq h ASP 34 CO -0.27 -0.31 0.83 -0.76 -1.72 0.00 0.00 179.24 177.01 1kpq s LEU 35 N -10.88 4.37 -0.09 1.55 1.02 -0.14 -4.66 118.68 109.85 1kpq s LEU 35 Ca -0.13 2.59 0.03 0.00 0.02 0.00 0.00 54.13 56.65 1kpq s LEU 35 Cb 0.28 -3.60 0.01 0.00 0.02 0.00 0.00 46.19 42.90 1kpq s LEU 35 CO 0.78 -0.78 -0.19 -0.75 0.02 0.00 0.00 176.35 175.43 1kpq s LYS 36 N 0.80 2.48 0.32 1.70 2.20 0.05 -4.76 119.74 122.54 1kpq s LYS 36 Ca 0.67 -0.67 -0.27 0.00 -0.36 0.00 0.00 55.97 55.33 1kpq s LYS 36 Cb -0.42 -1.96 -0.09 0.00 -1.51 0.00 0.00 37.83 33.85 1kpq s LYS 36 CO 0.34 0.08 1.07 -1.25 -0.36 0.00 0.00 175.35 175.23 1kpq s PRO 37 N 0.59 4.46 0.23 4.03 0.04 -1.26 -2.07 135.00 141.02 1kpq s PRO 37 Ca -0.15 1.68 0.04 0.00 0.04 0.00 0.00 61.00 62.62 1kpq s PRO 37 Cb -0.17 -2.95 -0.05 0.00 0.04 0.00 0.00 34.50 31.38 1kpq s PRO 37 CO 0.05 0.09 -0.02 0.08 0.04 0.00 0.00 177.00 177.23 1kpq s VAL 38 N -1.35 1.15 -0.23 -0.36 1.01 -0.08 -4.92 120.40 115.63 1kpq s VAL 38 Ca 0.49 -2.05 -0.00 0.00 0.00 0.00 0.00 61.98 60.42 1kpq s VAL 38 Cb -0.28 -2.30 0.06 0.00 0.00 0.00 0.00 36.38 33.86 1kpq s VAL 38 CO 0.36 -0.37 -0.03 -0.22 0.00 0.00 0.00 175.10 174.84 1kpq s LEU 39 N -3.31 2.29 -0.20 3.92 1.98 -1.26 -1.39 118.68 120.71 1kpq s LEU 39 Ca 0.27 -1.11 -0.03 0.00 -2.89 0.00 0.00 54.13 50.37 1kpq s LEU 39 Cb 0.05 -1.06 -0.01 0.00 0.66 0.00 0.00 46.19 45.83 1kpq s LEU 39 CO 0.08 -0.25 -0.06 -0.62 -1.89 0.00 0.00 176.35 173.61 1kpq s ASP 40 N 1.49 4.28 -0.14 3.68 -1.08 -0.78 -4.97 116.67 119.15 1kpq s ASP 40 Ca -0.05 -0.37 -0.10 0.00 -0.52 0.00 0.00 52.55 51.52 1kpq s ASP 40 Cb -0.18 -1.72 -0.05 0.00 -1.46 0.00 0.00 42.92 39.51 1kpq s ASP 40 CO -0.07 0.02 0.18 -0.94 0.52 0.00 0.00 175.17 174.89 1kpq s SER 41 N 1.24 6.38 0.22 -0.34 1.04 -1.26 -2.33 113.70 118.65 1kpq s SER 41 Ca 0.03 0.45 0.00 0.00 0.48 0.00 0.00 55.95 56.91 1kpq s SER 41 Cb -0.14 -2.11 -0.05 0.00 0.10 0.00 0.00 66.02 63.82 1kpq s SER 41 CO -0.02 0.29 0.09 -0.47 0.98 0.00 0.00 173.24 174.11 1kpq s TYR 42 N -0.39 1.32 -0.12 5.02 5.04 -0.71 -4.90 117.35 122.62 1kpq s TYR 42 Ca 0.14 -1.23 -0.03 0.00 -2.44 0.00 0.00 57.07 53.51 1kpq s TYR 42 Cb -0.12 -0.73 -0.03 0.00 0.35 0.00 0.00 41.96 41.43 1kpq s TYR 42 CO 0.03 -0.43 -0.03 0.14 -1.34 0.00 0.00 175.55 173.92 1kpq s VAL 43 N -3.90 3.98 -0.59 3.14 -7.23 -1.26 0.48 120.40 115.02 1kpq s VAL 43 Ca 0.35 -0.34 -0.04 0.00 -1.81 0.00 0.00 61.98 60.14 1kpq s VAL 43 Cb 0.07 -2.71 -0.05 0.00 0.56 0.00 0.00 36.38 34.26 1kpq s VAL 43 CO 0.11 0.54 1.83 0.49 -0.31 0.00 0.00 175.10 177.76 1kpq n PHE 44 N 2.99 0.88 0.00 2.82 3.72 0.21 -4.61 117.46 123.46 1kpq n PHE 44 Ca -0.18 -1.46 0.00 0.00 -0.05 0.00 0.00 57.45 55.76 1kpq n PHE 44 Cb 0.53 -1.33 0.00 0.00 -0.94 0.00 0.00 39.48 37.74 1kpq n PHE 44 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1kpq n ASN 45 N 4.16 0.00 0.00 4.37 5.15 -1.26 -1.77 115.26 125.91 1kpq n ASN 45 Ca 0.31 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.29 1kpq n ASN 45 Cb 0.14 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.39 1kpq n ASN 45 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1kpq n ASP 46 N 1.96 0.00 0.00 1.20 2.03 -1.26 -4.94 116.55 115.54 1kpq n ASP 46 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1kpq n ASP 46 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1kpq n ASP 46 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1kpq n GLY 47 N 1.43 -1.17 0.00 0.27 0.00 -0.73 -4.86 105.19 100.13 1kpq n GLY 47 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.25 1kpq n GLY 47 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1kpq n SER 48 N -2.08 0.00 -4.80 1.61 7.64 -1.26 -4.93 113.62 109.80 1kpq n SER 48 Ca 0.00 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.57 1kpq n SER 48 Cb 0.00 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.26 1kpq n SER 48 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1kpq s SER 49 N 0.00 5.05 0.18 6.43 1.04 -1.26 -0.62 113.70 124.53 1kpq s SER 49 Ca 0.00 1.74 -0.19 0.00 0.48 0.00 0.00 55.95 57.97 1kpq s SER 49 Cb 0.00 -2.51 0.04 0.00 0.10 0.00 0.00 66.02 63.65 1kpq s SER 49 CO 0.00 -1.66 0.55 -0.60 0.98 0.00 0.00 173.24 172.51 1kpq s ARG 50 N -4.85 1.34 -0.24 4.02 3.52 0.18 -4.88 118.95 118.04 1kpq s ARG 50 Ca 0.60 -0.72 -0.07 0.00 -0.13 0.00 0.00 55.73 55.41 1kpq s ARG 50 Cb -0.16 0.54 -0.03 0.00 -1.56 0.00 0.00 34.95 33.75 1kpq s ARG 50 CO 0.53 -0.57 0.05 -1.21 -0.81 0.00 0.00 175.30 173.29 1kpq s GLU 51 N -3.83 3.62 -0.11 5.12 8.01 -1.26 -1.73 118.70 128.51 1kpq s GLU 51 Ca 0.06 -0.50 -0.01 0.00 0.01 0.00 0.00 54.97 54.53 1kpq s GLU 51 Cb -0.01 -3.27 0.03 0.00 -4.31 0.00 0.00 34.13 26.57 1kpq s GLU 51 CO -0.07 -0.18 -0.05 -0.51 0.01 0.00 0.00 175.26 174.47 1kpq s LEU 52 N 1.56 1.10 0.56 1.80 2.01 -0.98 -4.91 118.68 119.81 1kpq s LEU 52 Ca 0.06 -0.33 -0.15 0.00 0.01 0.00 0.00 54.13 53.73 1kpq s LEU 52 Cb -0.15 -0.74 -0.06 0.00 0.01 0.00 0.00 46.19 45.25 1kpq s LEU 52 CO 0.02 -0.16 1.01 -0.32 1.01 0.00 0.00 176.35 177.92 1kpq s MET 53 N 1.77 3.76 -0.23 1.70 -2.45 -1.26 -1.86 119.30 120.73 1kpq s MET 53 Ca 0.04 0.91 -0.15 0.00 -1.25 0.00 0.00 55.69 55.24 1kpq s MET 53 Cb -0.13 -2.11 0.07 0.00 1.25 0.00 0.00 34.83 33.91 1kpq s MET 53 CO -0.07 -0.43 0.58 0.54 1.05 0.00 0.00 175.02 176.68 1kpq s ASN 54 N -3.43 -0.73 -0.26 1.11 4.22 -0.48 -1.56 114.94 113.81 1kpq s ASN 54 Ca 0.58 1.24 -0.21 0.00 -2.14 0.00 0.00 52.86 52.33 1kpq s ASN 54 Cb -0.11 1.15 -0.02 0.00 1.28 0.00 0.00 41.25 43.55 1kpq s ASN 54 CO 0.40 -0.22 0.67 -0.76 -2.04 0.00 0.00 177.10 175.15 1kpq s LEU 55 N 1.24 4.07 -0.07 3.54 1.43 -0.73 -0.90 118.68 127.26 1kpq s LEU 55 Ca -0.07 0.74 0.04 0.00 -1.03 0.00 0.00 54.13 53.80 1kpq s LEU 55 Cb -0.06 -2.91 0.00 0.00 0.03 0.00 0.00 46.19 43.25 1kpq s LEU 55 CO -0.13 -0.41 -0.19 -0.89 0.23 0.00 0.00 176.35 174.96 1kpq s THR 56 N 2.58 1.62 0.22 5.49 2.01 -0.88 -0.76 115.64 125.91 1kpq s THR 56 Ca 0.28 -0.79 -0.22 0.00 0.31 0.00 0.00 61.69 61.26 1kpq s THR 56 Cb -0.15 -1.41 0.06 0.00 0.01 0.00 0.00 72.50 71.00 1kpq s THR 56 CO 0.09 0.46 0.91 -0.83 -0.69 0.00 0.00 174.62 174.55 1kpq s GLY 57 N 0.28 -0.06 -0.20 4.40 0.00 -0.98 -0.77 107.32 109.99 1kpq s GLY 57 Ca -0.11 -0.16 0.01 0.00 0.00 0.00 0.00 44.72 44.46 1kpq s GLY 57 CO 0.05 0.38 -0.17 -0.51 0.00 0.00 0.00 173.10 172.85 1kpq s THR 58 N -3.08 2.02 -0.04 0.90 -4.23 -1.26 -1.34 115.64 108.61 1kpq s THR 58 Ca 0.14 -1.08 -0.09 0.00 -1.18 0.00 0.00 61.69 59.47 1kpq s THR 58 Cb -0.03 -1.92 -0.05 0.00 1.34 0.00 0.00 72.50 71.84 1kpq s THR 58 CO 0.05 0.37 0.27 -0.63 -0.54 0.00 0.00 174.62 174.14 1kpq s ILE 59 N 1.27 5.29 0.03 2.99 1.01 -0.80 -4.83 121.20 126.16 1kpq s ILE 59 Ca 0.01 0.40 -0.30 0.00 0.00 0.00 0.00 60.65 60.76 1kpq s ILE 59 Cb -0.15 -3.55 -0.05 0.00 0.01 0.00 0.00 42.46 38.72 1kpq s ILE 59 CO -0.11 0.52 1.19 -2.16 0.00 0.00 0.00 174.94 174.38 1kpq s PRO 60 N -1.28 4.42 -0.15 2.79 0.04 -1.25 -1.33 135.00 138.24 1kpq s PRO 60 Ca 0.22 1.73 -0.01 0.00 0.04 0.00 0.00 61.00 62.97 1kpq s PRO 60 Cb -0.14 -3.41 0.04 0.00 0.04 0.00 0.00 34.50 31.04 1kpq s PRO 60 CO 0.11 -0.29 -0.01 0.08 0.04 0.00 0.00 177.00 176.92 1kpq s VAL 61 N 1.34 0.76 -0.08 -0.36 1.01 0.88 -4.90 120.40 119.05 1kpq s VAL 61 Ca 0.58 -0.41 -0.30 0.00 0.00 0.00 0.00 61.98 61.85 1kpq s VAL 61 Cb -0.28 -1.02 -0.03 0.00 0.00 0.00 0.00 36.38 35.06 1kpq s VAL 61 CO 0.27 0.07 1.21 -2.16 0.00 0.00 0.00 175.10 174.50 1kpq s PRO 62 N 1.78 4.33 -0.07 2.72 0.04 -1.26 -0.05 135.00 142.49 1kpq s PRO 62 Ca 0.01 1.67 -0.06 0.00 0.04 0.00 0.00 61.00 62.67 1kpq s PRO 62 Cb -0.15 -3.60 -0.02 0.00 0.04 0.00 0.00 34.50 30.77 1kpq s PRO 62 CO -0.07 -0.50 -0.11 0.98 0.04 0.00 0.00 177.00 177.33 1kpq n TYR 63 N 5.51 0.31 -2.85 0.56 9.36 -0.73 -4.87 117.16 124.44 1kpq n TYR 63 Ca 0.12 0.13 -0.11 0.00 3.32 0.00 0.00 57.90 61.36 1kpq n TYR 63 Cb 0.46 -0.42 0.06 0.00 -0.63 0.00 0.00 39.34 38.81 1kpq n TYR 63 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1kpq n ARG 64 N -3.39 1.02 0.00 2.98 5.12 -1.26 -4.91 116.66 116.22 1kpq n ARG 64 Ca -0.04 -2.36 0.00 0.00 -1.93 0.00 0.00 57.85 53.52 1kpq n ARG 64 Cb 0.16 -1.15 0.00 0.00 -1.16 0.00 0.00 32.46 30.31 1kpq n ARG 64 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1kpq n GLY 65 N 0.26 3.09 3.81 -0.13 0.00 -1.26 -5.06 105.19 105.90 1kpq n GLY 65 Ca 0.11 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.90 1kpq n GLY 65 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1kpq s ASN 66 N -1.21 4.86 -0.11 1.61 0.01 -1.26 -5.12 114.94 113.71 1kpq s ASN 66 Ca 0.00 -0.80 0.03 0.00 -0.71 0.00 0.00 52.86 51.38 1kpq s ASN 66 Cb 0.00 -0.63 -0.00 0.00 0.41 0.00 0.00 41.25 41.03 1kpq s ASN 66 CO 0.00 -0.52 -0.22 -0.89 -1.51 0.00 0.00 177.10 173.97 1kpq s THR 67 N -2.47 2.24 0.22 1.60 2.01 -1.26 -1.78 115.64 116.19 1kpq s THR 67 Ca 0.43 -0.95 0.06 0.00 0.31 0.00 0.00 61.69 61.55 1kpq s THR 67 Cb -0.02 -1.88 -0.04 0.00 0.01 0.00 0.00 72.50 70.58 1kpq s THR 67 CO 0.25 0.55 0.17 -0.47 -0.69 0.00 0.00 174.62 174.43 1kpq s TYR 68 N 0.46 3.12 -0.70 4.92 6.14 0.93 -4.85 117.35 127.37 1kpq s TYR 68 Ca -0.15 -0.07 -0.06 0.00 0.64 0.00 0.00 57.07 57.43 1kpq s TYR 68 Cb -0.17 -1.44 0.18 0.00 0.42 0.00 0.00 41.96 40.95 1kpq s TYR 68 CO 0.06 0.52 0.55 -0.80 0.64 0.00 0.00 175.55 176.52 1kpq s ASN 69 N -3.54 5.69 -0.37 4.32 0.01 -1.26 -0.08 114.94 119.71 1kpq s ASN 69 Ca 0.32 -2.87 -0.29 0.00 -0.71 0.00 0.00 52.86 49.31 1kpq s ASN 69 Cb -0.09 -1.96 0.02 0.00 0.41 0.00 0.00 41.25 39.64 1kpq s ASN 69 CO 0.24 -0.41 1.10 -0.63 -1.51 0.00 0.00 177.10 175.89 1kpq s ILE 70 N -0.09 4.40 0.27 0.60 -1.09 -0.44 -4.79 121.20 120.05 1kpq s ILE 70 Ca 0.18 1.57 -0.30 0.00 -2.23 0.00 0.00 60.65 59.87 1kpq s ILE 70 Cb -0.17 -4.48 -0.09 0.00 -1.58 0.00 0.00 42.46 36.14 1kpq s ILE 70 CO -0.05 -0.66 1.08 -2.16 -1.23 0.00 0.00 174.94 171.92 1kpq s PRO 71 N 3.93 4.67 0.02 2.79 0.04 -1.26 -1.90 135.00 143.28 1kpq s PRO 71 Ca 0.46 1.76 0.01 0.00 0.04 0.00 0.00 61.00 63.27 1kpq s PRO 71 Cb -0.11 -3.21 -0.01 0.00 0.04 0.00 0.00 34.50 31.21 1kpq s PRO 71 CO 0.21 0.24 -0.05 0.96 0.04 0.00 0.00 177.00 178.40 1kpq s ILE 72 N -1.10 0.31 -0.03 0.56 -5.25 -0.45 -4.03 121.20 111.21 1kpq s ILE 72 Ca 0.44 -0.68 0.01 0.00 -0.99 0.00 0.00 60.65 59.44 1kpq s ILE 72 Cb -0.31 -0.36 0.01 0.00 2.95 0.00 0.00 42.46 44.75 1kpq s ILE 72 CO 0.39 -0.25 -0.05 0.00 -1.79 0.00 0.00 174.94 173.25 1kpq s LEU 74 N 0.60 4.59 0.49 0.00 1.98 0.06 -1.28 118.68 125.10 1kpq s LEU 74 Ca -0.08 -1.98 -0.22 0.00 -2.89 0.00 0.00 54.13 48.96 1kpq s LEU 74 Cb -0.11 -1.65 -0.07 0.00 0.66 0.00 0.00 46.19 45.02 1kpq s LEU 74 CO 0.00 -0.37 1.14 0.26 -1.89 0.00 0.00 176.35 175.50 1kpq s TRP 75 N 0.98 2.83 0.31 5.38 0.52 0.13 -1.78 118.94 127.31 1kpq s TRP 75 Ca 0.07 1.54 0.03 0.00 0.02 0.00 0.00 56.10 57.76 1kpq s TRP 75 Cb -0.20 -3.33 -0.05 0.00 -1.15 0.00 0.00 33.47 28.74 1kpq s TRP 75 CO -0.07 -1.47 0.09 -0.51 0.02 0.00 0.00 176.95 175.02 1kpq s LEU 76 N -3.28 1.90 0.33 2.99 1.43 -0.60 -1.83 118.68 119.61 1kpq s LEU 76 Ca 0.67 -1.45 0.03 0.00 -1.03 0.00 0.00 54.13 52.35 1kpq s LEU 76 Cb -0.26 -0.14 -0.02 0.00 0.03 0.00 0.00 46.19 45.80 1kpq s LEU 76 CO 0.31 -0.73 0.34 -1.48 0.23 0.00 0.00 176.35 175.02 1kpq s LEU 77 N -3.43 1.46 -0.01 1.79 -0.00 -1.26 -4.50 118.68 112.72 1kpq s LEU 77 Ca 0.35 -1.64 0.08 0.00 -0.00 0.00 0.00 54.13 52.92 1kpq s LEU 77 Cb 0.07 0.85 -0.23 0.00 -0.00 0.00 0.00 46.19 46.88 1kpq s LEU 77 CO 0.15 -1.13 0.78 0.44 -0.00 0.00 0.00 176.35 176.59 1kpq h ASP 78 N 2.16 0.07 0.00 1.48 5.19 -1.93 -3.45 116.42 119.94 1kpq h ASP 78 Ca -0.27 -0.13 0.00 0.00 -0.62 0.00 0.00 57.03 56.01 1kpq h ASP 78 Cb 1.24 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.72 1kpq h ASP 78 CO 0.38 1.12 0.00 1.07 -3.12 0.00 0.00 179.24 178.69 1kpq n THR 79 N -3.18 0.00 -4.44 0.35 5.66 -1.26 -2.05 114.28 109.36 1kpq n THR 79 Ca -0.15 0.00 -0.23 0.00 -3.05 0.00 0.00 64.05 60.63 1kpq n THR 79 Cb 1.03 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.71 1kpq n THR 79 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 1kpq s TYR 80 N 0.00 2.13 -0.07 1.09 1.13 -1.26 -2.94 117.35 117.43 1kpq s TYR 80 Ca 0.00 -0.42 -0.18 0.00 -1.41 0.00 0.00 57.07 55.06 1kpq s TYR 80 Cb 0.00 -0.97 -0.13 0.00 -1.10 0.00 0.00 41.96 39.75 1kpq s TYR 80 CO 0.00 0.60 0.68 -1.00 -2.51 0.00 0.00 175.55 173.32 1kpq h PRO 81 N 2.33 -0.18 -6.34 -3.49 0.13 -2.01 -3.47 132.00 118.96 1kpq h PRO 81 Ca -0.40 0.01 -0.57 0.00 -0.87 0.00 0.00 66.00 64.18 1kpq h PRO 81 Cb 1.25 0.04 -0.06 0.00 0.13 0.00 0.00 31.00 32.36 1kpq h PRO 81 CO 0.62 0.22 0.90 0.71 -0.23 0.00 0.00 178.00 180.21 1kpq s TYR 82 N -2.94 2.96 0.23 1.56 1.51 -1.26 -4.91 117.35 114.50 1kpq s TYR 82 Ca -0.11 1.05 -0.07 0.00 -1.01 0.00 0.00 57.07 56.93 1kpq s TYR 82 Cb -0.00 -3.81 0.38 0.00 -0.11 0.00 0.00 41.96 38.42 1kpq s TYR 82 CO 0.39 -1.16 1.71 -0.91 -1.11 0.00 0.00 175.55 174.47 1kpq h ASN 83 N 8.58 0.11 -4.06 2.29 2.35 -1.89 -3.41 115.58 119.54 1kpq h ASN 83 Ca -0.23 0.12 -0.47 0.00 -0.55 0.00 0.00 56.30 55.17 1kpq h ASN 83 Cb 1.07 0.14 0.02 0.00 0.05 0.00 0.00 38.32 39.60 1kpq h ASN 83 CO 1.04 0.04 0.39 -2.16 -1.65 0.00 0.00 177.43 175.08 1kpq s PRO 84 N -6.07 3.84 0.79 0.81 0.04 -1.26 -4.81 135.00 128.34 1kpq s PRO 84 Ca -0.13 1.38 -0.11 0.00 0.04 0.00 0.00 61.00 62.18 1kpq s PRO 84 Cb 0.19 -2.14 0.07 0.00 0.04 0.00 0.00 34.50 32.66 1kpq s PRO 84 CO 0.75 -0.40 1.10 -1.25 0.04 0.00 0.00 177.00 177.24 1kpq s PRO 85 N -3.15 2.11 -0.09 0.56 0.04 -1.26 -4.90 135.00 128.31 1kpq s PRO 85 Ca 0.66 0.65 -0.04 0.00 0.04 0.00 0.00 61.00 62.32 1kpq s PRO 85 Cb -0.17 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.41 1kpq s PRO 85 CO 0.21 -1.60 0.05 0.42 0.04 0.00 0.00 177.00 176.12 1kpq s ILE 86 N -3.15 4.76 0.19 0.56 1.09 -0.76 -4.96 121.20 118.92 1kpq s ILE 86 Ca 0.61 -0.09 -0.08 0.00 -1.10 0.00 0.00 60.65 59.99 1kpq s ILE 86 Cb -0.14 -3.04 -0.07 0.00 -1.06 0.00 0.00 42.46 38.15 1kpq s ILE 86 CO 0.54 0.60 0.48 0.00 -0.10 0.00 0.00 174.94 176.46 1kpq s PHE 88 N -1.74 -0.55 -0.33 0.00 0.08 -0.41 -3.52 117.98 111.51 1kpq s PHE 88 Ca 0.44 0.55 0.03 0.00 0.12 0.00 0.00 56.93 58.07 1kpq s PHE 88 Cb -0.12 0.51 0.10 0.00 -0.57 0.00 0.00 43.02 42.95 1kpq s PHE 88 CO 0.22 -0.74 0.06 0.14 -0.10 0.00 0.00 175.22 174.80 1kpq s VAL 89 N -2.90 1.93 -0.24 -0.44 -7.23 -0.42 -1.20 120.40 109.90 1kpq s VAL 89 Ca -0.02 -2.12 -0.29 0.00 -1.81 0.00 0.00 61.98 57.75 1kpq s VAL 89 Cb -0.01 -2.43 -0.03 0.00 0.56 0.00 0.00 36.38 34.47 1kpq s VAL 89 CO -0.06 -0.62 1.81 -0.75 -0.31 0.00 0.00 175.10 175.17 1kpq s LYS 90 N 1.07 3.55 0.79 4.82 2.47 -1.26 -4.74 119.74 126.45 1kpq s LYS 90 Ca 0.11 1.71 -0.13 0.00 -1.56 0.00 0.00 55.97 56.10 1kpq s LYS 90 Cb -0.19 -4.16 0.19 0.00 -1.46 0.00 0.00 37.83 32.22 1kpq s LYS 90 CO -0.12 -1.60 0.88 -0.35 0.16 0.00 0.00 175.35 174.31 1kpq n PRO 91 N 8.11 -1.71 -2.88 4.03 -0.04 -1.26 -4.62 135.00 136.63 1kpq n PRO 91 Ca 0.22 -1.38 -0.08 0.00 -0.04 0.00 0.00 63.50 62.23 1kpq n PRO 91 Cb 0.45 -1.08 -0.03 0.00 -0.04 0.00 0.00 33.50 32.80 1kpq n PRO 91 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1kpq n THR 92 N -3.75 0.00 0.55 0.52 -2.24 -1.26 -5.02 114.28 103.08 1kpq n THR 92 Ca 0.11 -0.95 0.13 0.00 -2.27 0.00 0.00 64.05 61.07 1kpq n THR 92 Cb 0.42 0.47 0.32 0.00 -2.10 0.00 0.00 70.33 69.44 1kpq n THR 92 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1kpq h SER 93 N 0.79 0.00 0.03 3.42 0.02 -2.03 -3.31 113.55 112.47 1kpq h SER 93 Ca -0.09 -0.04 -0.33 0.00 -0.84 0.00 0.00 61.79 60.49 1kpq h SER 93 Cb 0.47 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.97 1kpq h SER 93 CO 0.14 0.02 -1.81 -1.20 -1.14 0.00 0.00 176.83 172.84 1kpq n SER 94 N -2.36 1.96 -3.92 3.07 7.64 -1.26 -4.97 113.62 113.78 1kpq n SER 94 Ca 0.05 0.30 -0.29 0.00 1.01 0.00 0.00 58.87 59.94 1kpq n SER 94 Cb 0.45 -0.86 0.26 0.00 -1.01 0.00 0.00 64.21 63.05 1kpq n SER 94 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 1kpq n MET 95 N -4.06 -3.42 0.00 1.43 2.00 -1.25 -5.00 117.12 106.83 1kpq n MET 95 Ca -0.38 -0.99 0.00 0.00 0.00 0.00 0.00 57.70 56.33 1kpq n MET 95 Cb 0.84 -1.98 0.00 0.00 0.00 0.00 0.00 33.22 32.08 1kpq n MET 95 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38 1kpq n THR 96 N -5.28 0.00 -0.59 2.03 -1.04 -1.26 -4.77 114.28 103.37 1kpq n THR 96 Ca 0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.08 1kpq n THR 96 Cb 0.56 -0.44 0.00 0.00 -1.82 0.00 0.00 70.33 68.63 1kpq n THR 96 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1kpq n ILE 97 N -2.21 -2.56 -4.02 12.58 3.06 -1.22 -4.73 119.36 120.26 1kpq n ILE 97 Ca 0.00 0.87 -0.23 0.00 -2.50 0.00 0.00 62.75 60.89 1kpq n ILE 97 Cb 0.29 -1.45 -0.06 0.00 0.54 0.00 0.00 39.64 38.96 1kpq n ILE 97 CO 0.00 0.00 0.00 -1.59 -2.50 0.00 0.00 176.55 172.46 1kpq s LYS 98 N -4.42 2.41 -0.11 9.51 -2.85 0.67 -4.05 119.74 120.90 1kpq s LYS 98 Ca 0.00 -1.56 -0.01 0.00 -1.00 0.00 0.00 55.97 53.40 1kpq s LYS 98 Cb 0.00 -2.20 -0.03 0.00 -2.06 0.00 0.00 37.83 33.54 1kpq s LYS 98 CO 0.00 0.05 -0.05 0.95 0.10 0.00 0.00 175.35 176.40 1kpq s THR 99 N -2.44 3.83 0.00 3.79 -4.23 -1.26 -4.45 115.64 110.89 1kpq s THR 99 Ca 0.40 -0.41 0.00 0.00 -1.18 0.00 0.00 61.69 60.50 1kpq s THR 99 Cb -0.02 -2.62 0.00 0.00 1.34 0.00 0.00 72.50 71.20 1kpq s THR 99 CO 0.24 0.56 0.00 0.61 -0.54 0.00 0.00 174.62 175.48 1kpq n GLY 100 N 2.75 2.02 0.01 3.99 0.00 -1.24 -4.82 105.19 107.91 1kpq n GLY 100 Ca -0.18 -0.72 0.11 0.00 0.00 0.00 0.00 46.02 45.22 1kpq n GLY 100 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1kpq n LYS 101 N 0.00 0.48 0.00 1.61 5.02 -1.26 -1.62 118.16 122.39 1kpq n LYS 101 Ca 0.00 -0.14 0.05 0.00 -2.02 0.00 0.00 58.31 56.20 1kpq n LYS 101 Cb 0.00 -1.52 -0.02 0.00 -0.02 0.00 0.00 35.03 33.47 1kpq n LYS 101 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1kpq n HIS 102 N -2.06 0.00 -0.00 2.13 8.25 -1.26 -4.30 115.22 117.98 1kpq n HIS 102 Ca -0.02 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.44 1kpq n HIS 102 Cb 0.50 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.61 1kpq n HIS 102 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1kpq n VAL 103 N -0.52 0.01 -4.61 1.59 0.31 -1.26 -3.45 118.33 110.42 1kpq n VAL 103 Ca 0.04 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 1kpq n VAL 103 Cb 0.22 -0.65 0.00 0.00 -0.91 0.00 0.00 33.84 32.50 1kpq n VAL 103 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1kpq n ASP 104 N -2.58 -3.53 -0.01 4.52 9.92 -0.64 -1.92 116.55 122.31 1kpq n ASP 104 Ca -0.00 0.00 0.09 0.00 -0.53 0.00 0.00 54.79 54.35 1kpq n ASP 104 Cb 0.50 0.00 -0.14 0.00 -0.64 0.00 0.00 41.12 40.85 1kpq n ASP 104 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1kpq n ALA 105 N 0.14 2.91 -1.13 2.24 0.00 -1.26 -3.61 120.51 119.80 1kpq n ALA 105 Ca 0.00 -0.45 -0.14 0.00 0.00 0.00 0.00 53.44 52.85 1kpq n ALA 105 Cb 0.00 -0.64 0.25 0.00 0.00 0.00 0.00 19.45 19.07 1kpq n ALA 105 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1kpq n ASN 106 N -2.04 4.38 -1.76 0.00 3.02 -1.26 -4.87 115.26 112.72 1kpq n ASN 106 Ca -0.02 -3.40 -0.10 0.00 -0.03 0.00 0.00 54.58 51.03 1kpq n ASN 106 Cb 0.45 -0.79 -0.03 0.00 -0.61 0.00 0.00 39.78 38.81 1kpq n ASN 106 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1kpq n GLY 107 N -0.59 0.34 3.76 7.41 0.00 -1.19 -4.69 105.19 110.23 1kpq n GLY 107 Ca 0.50 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.13 1kpq n GLY 107 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1kpq s LYS 108 N -3.72 4.68 -0.62 1.61 2.20 -0.81 -1.30 119.74 121.78 1kpq s LYS 108 Ca 0.00 1.50 -0.22 0.00 -0.36 0.00 0.00 55.97 56.89 1kpq s LYS 108 Cb 0.00 -3.05 0.07 0.00 -1.51 0.00 0.00 37.83 33.34 1kpq s LYS 108 CO 0.00 0.34 0.89 0.42 -0.36 0.00 0.00 175.35 176.64 1kpq s ILE 109 N -1.35 4.46 -0.68 5.43 -1.09 -1.23 -3.99 121.20 122.75 1kpq s ILE 109 Ca 0.46 -0.37 -0.02 0.00 -2.23 0.00 0.00 60.65 58.48 1kpq s ILE 109 Cb -0.24 -4.60 0.35 0.00 -1.58 0.00 0.00 42.46 36.39 1kpq s ILE 109 CO 0.31 -1.30 2.11 -1.22 -1.23 0.00 0.00 174.94 173.61 1kpq n TYR 110 N 7.32 2.82 -1.82 3.97 4.02 -1.22 -4.78 117.16 127.47 1kpq n TYR 110 Ca -0.04 -2.56 -0.33 0.00 -0.01 0.00 0.00 57.90 54.96 1kpq n TYR 110 Cb 0.45 -1.30 0.04 0.00 -0.02 0.00 0.00 39.34 38.51 1kpq n TYR 110 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1kpq s LEU 111 N -3.56 3.41 0.32 7.72 1.43 -1.26 -4.59 118.68 122.14 1kpq s LEU 111 Ca 0.56 1.95 0.16 0.00 -1.03 0.00 0.00 54.13 55.77 1kpq s LEU 111 Cb 0.45 -4.55 0.41 0.00 0.03 0.00 0.00 46.19 42.53 1kpq s LEU 111 CO -0.18 -1.52 1.60 1.55 0.23 0.00 0.00 176.35 178.03 1kpq h PRO 112 N 0.10 0.00 0.65 1.29 0.13 -1.97 -2.53 132.00 129.66 1kpq h PRO 112 Ca -0.47 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.63 1kpq h PRO 112 Cb 1.24 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.38 1kpq h PRO 112 CO 0.55 0.49 -0.31 -0.92 -0.23 0.00 0.00 178.00 177.58 1kpq h TYR 113 N 0.00 -0.81 -0.53 1.56 5.03 -1.92 0.43 116.97 120.73 1kpq h TYR 113 Ca -0.00 -0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.27 1kpq h TYR 113 Cb 1.13 0.27 -0.03 0.00 1.55 0.00 0.00 36.73 39.65 1kpq h TYR 113 CO 0.00 -0.46 0.24 1.25 -1.32 0.00 0.00 178.16 177.87 1kpq h LEU 114 N -1.07 0.66 -0.49 2.82 5.85 -1.95 0.49 115.31 121.63 1kpq h LEU 114 Ca -0.09 -0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.51 1kpq h LEU 114 Cb 0.71 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 1kpq h LEU 114 CO 0.15 0.57 0.09 -0.74 -0.34 0.00 0.00 178.44 178.17 1kpq h HIS 115 N 0.74 0.85 -0.88 1.25 2.76 -1.33 -2.65 115.15 115.88 1kpq h HIS 115 Ca 0.18 -0.11 -0.47 0.00 -2.20 0.00 0.00 60.37 57.77 1kpq h HIS 115 Cb 0.09 -0.23 -0.27 0.00 1.55 0.00 0.00 27.41 28.54 1kpq h HIS 115 CO 0.01 0.77 0.53 0.39 -1.30 0.00 0.00 177.93 178.32 1kpq n GLU 116 N -4.44 2.22 -2.72 5.26 1.02 0.15 -4.94 120.64 117.19 1kpq n GLU 116 Ca 0.01 -3.07 -0.43 0.00 -0.02 0.00 0.00 57.16 53.65 1kpq n GLU 116 Cb 0.24 -2.12 -0.03 0.00 -0.02 0.00 0.00 31.44 29.51 1kpq n GLU 116 CO 0.00 0.00 0.00 -0.46 1.18 0.00 0.00 177.13 177.85 1kpq s TRP 117 N -3.33 3.19 -0.05 -0.32 -0.00 0.16 -4.71 118.94 113.88 1kpq s TRP 117 Ca 0.55 1.14 0.02 0.00 -0.00 0.00 0.00 56.10 57.81 1kpq s TRP 117 Cb 0.47 -3.51 0.06 0.00 -0.00 0.00 0.00 33.47 30.48 1kpq s TRP 117 CO 0.08 -0.68 0.55 0.36 -0.00 0.00 0.00 176.95 177.27 1kpq n LYS 118 N 6.63 0.19 -0.29 5.86 2.85 -1.26 -5.02 118.16 127.11 1kpq n LYS 118 Ca 0.10 -0.36 0.04 0.00 -1.05 0.00 0.00 58.31 57.03 1kpq n LYS 118 Cb 0.47 0.35 -0.02 0.00 -0.65 0.00 0.00 35.03 35.18 1kpq n LYS 118 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 177.40 178.93 1kpq n HIS 119 N -0.22 -0.79 1.50 5.58 -0.00 -1.26 -4.83 115.22 115.20 1kpq n HIS 119 Ca -0.08 0.43 0.10 0.00 -0.00 0.00 0.00 57.72 58.18 1kpq n HIS 119 Cb 0.50 -0.72 0.62 0.00 -0.00 0.00 0.00 29.99 30.39 1kpq n HIS 119 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 1kpq n PRO 120 N -2.54 0.75 -0.81 1.57 -0.04 -1.26 -4.76 135.00 127.90 1kpq n PRO 120 Ca -0.02 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.33 1kpq n PRO 120 Cb 0.14 -1.43 0.00 0.00 -0.04 0.00 0.00 33.50 32.17 1kpq n PRO 120 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1kpq n GLN 121 N -0.93 1.58 -3.22 0.54 0.00 -1.26 -4.85 117.38 109.24 1kpq n GLN 121 Ca 0.16 -1.04 -0.42 0.00 0.00 0.00 0.00 57.00 55.70 1kpq n GLN 121 Cb 0.07 -1.46 -0.08 0.00 0.00 0.00 0.00 30.24 28.77 1kpq n GLN 121 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.06 175.52 1kpq s SER 122 N 0.94 6.32 0.00 2.61 1.04 -1.26 -4.73 113.70 118.62 1kpq s SER 122 Ca 0.25 -0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.59 1kpq s SER 122 Cb 0.17 -2.28 0.00 0.00 0.10 0.00 0.00 66.02 64.02 1kpq s SER 122 CO -0.02 -0.53 0.00 -0.90 0.98 0.00 0.00 173.24 172.77 1kpq n ASP 123 N 5.83 0.00 0.31 7.02 5.68 -1.26 -4.94 116.55 129.19 1kpq n ASP 123 Ca -0.04 0.00 0.20 0.00 -0.50 0.00 0.00 54.79 54.45 1kpq n ASP 123 Cb 0.49 0.00 1.03 0.00 -1.14 0.00 0.00 41.12 41.49 1kpq n ASP 123 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 1kpq h LEU 124 N 0.00 0.00 0.36 -2.12 5.85 -1.94 -2.29 115.31 115.17 1kpq h LEU 124 Ca 0.00 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 1kpq h LEU 124 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1kpq h LEU 124 CO 0.00 0.01 -0.17 -0.07 -0.34 0.00 0.00 178.44 177.87 1kpq h LEU 125 N 0.00 -0.41 -2.10 2.25 4.07 -1.95 -2.16 115.31 115.01 1kpq h LEU 125 Ca -0.00 -0.09 0.01 0.00 0.08 0.00 0.00 57.88 57.88 1kpq h LEU 125 Cb 0.15 0.11 -0.00 0.00 1.08 0.00 0.00 40.66 41.99 1kpq h LEU 125 CO 0.00 -0.15 0.02 1.23 -1.08 0.00 0.00 178.44 178.46 1kpq h GLY 126 N -0.68 0.00 0.00 0.83 0.00 -1.77 -1.09 103.07 100.36 1kpq h GLY 126 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.28 1kpq h GLY 126 CO 0.08 0.00 0.00 -0.10 0.00 0.00 0.00 176.54 176.52 1kpq n LEU 127 N -4.38 0.20 0.09 3.11 7.94 -1.00 -2.23 117.00 120.72 1kpq n LEU 127 Ca -0.02 0.70 0.19 0.00 -1.11 0.00 0.00 56.01 55.77 1kpq n LEU 127 Cb 0.12 -0.28 0.62 0.00 0.53 0.00 0.00 43.42 44.41 1kpq n LEU 127 CO 0.33 -0.28 1.17 0.40 -1.11 0.00 0.00 177.39 177.90 1kpq h ILE 128 N 0.00 0.17 0.81 1.96 5.03 -1.35 0.35 117.51 124.48 1kpq h ILE 128 Ca 0.00 0.00 -0.04 0.00 -0.12 0.00 0.00 64.86 64.70 1kpq h ILE 128 Cb 0.00 0.43 -0.00 0.00 -3.03 0.00 0.00 36.82 34.22 1kpq h ILE 128 CO 0.00 0.00 -0.48 1.56 -0.68 0.00 0.00 178.15 178.55 1kpq h GLN 129 N 0.00 -1.16 -0.64 2.37 1.08 -0.93 0.98 115.11 116.81 1kpq h GLN 129 Ca 0.21 0.08 0.13 0.00 -1.45 0.00 0.00 58.65 57.62 1kpq h GLN 129 Cb 1.53 0.26 -0.12 0.00 -0.05 0.00 0.00 27.48 29.11 1kpq h GLN 129 CO -0.00 -0.77 -0.16 -0.24 -0.95 0.00 0.00 178.83 176.70 1kpq h VAL 130 N -1.21 0.36 -0.04 -0.54 3.04 -0.45 -0.04 116.25 117.36 1kpq h VAL 130 Ca -0.11 0.00 0.03 0.00 -1.01 0.00 0.00 66.70 65.62 1kpq h VAL 130 Cb 0.96 0.36 -0.04 0.00 -2.01 0.00 0.00 31.29 30.56 1kpq h VAL 130 CO 0.12 0.00 -0.20 0.24 -1.01 0.00 0.00 177.57 176.72 1kpq h MET 131 N -0.00 -0.29 -1.35 4.17 2.86 -1.42 1.66 114.93 120.56 1kpq h MET 131 Ca 0.31 0.02 0.40 0.00 -2.06 0.00 0.00 59.70 58.36 1kpq h MET 131 Cb 0.47 0.07 -0.08 0.00 0.06 0.00 0.00 31.60 32.11 1kpq h MET 131 CO -0.66 -0.19 0.94 0.82 1.06 0.00 0.00 176.91 178.88 1kpq h ILE 132 N -0.30 0.29 0.00 -1.22 2.04 0.11 1.28 117.51 119.71 1kpq h ILE 132 Ca 0.07 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.90 1kpq h ILE 132 Cb 0.40 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 36.68 1kpq h ILE 132 CO -0.22 0.02 -0.40 0.52 0.00 0.00 0.00 178.15 178.07 1kpq n VAL 133 N -4.30 1.04 -0.33 1.67 0.31 0.09 -1.26 118.33 115.55 1kpq n VAL 133 Ca 0.32 0.29 0.15 0.00 -0.01 0.00 0.00 64.34 65.09 1kpq n VAL 133 Cb 1.38 -2.16 0.31 0.00 -0.91 0.00 0.00 33.84 32.46 1kpq n VAL 133 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1kpq h VAL 134 N -0.74 0.07 0.06 2.52 2.07 0.31 0.95 116.25 121.49 1kpq h VAL 134 Ca 0.00 -0.01 -0.26 0.00 0.82 0.00 0.00 66.70 67.24 1kpq h VAL 134 Cb 0.40 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.18 1kpq h VAL 134 CO 0.00 0.01 -1.32 -0.26 0.02 0.00 0.00 177.57 176.01 1kpq h PHE 135 N 0.03 0.23 0.00 1.57 -1.00 0.14 -3.22 116.94 114.71 1kpq h PHE 135 Ca 0.60 -0.17 0.00 0.00 2.81 0.00 0.00 57.97 61.21 1kpq h PHE 135 Cb 1.27 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 40.82 1kpq h PHE 135 CO -0.43 1.17 0.00 0.41 -1.61 0.00 0.00 178.31 177.85 1kpq n GLY 136 N 1.52 -1.03 0.13 -1.45 0.00 0.28 -1.96 105.19 102.68 1kpq n GLY 136 Ca -0.09 0.16 -0.22 0.00 0.00 0.00 0.00 46.02 45.87 1kpq n GLY 136 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1kpq n ASP 137 N -2.26 2.04 -3.54 1.61 -0.08 0.14 -4.76 116.55 109.68 1kpq n ASP 137 Ca -0.00 0.29 -0.07 0.00 -1.51 0.00 0.00 54.79 53.50 1kpq n ASP 137 Cb 0.11 -0.91 -0.02 0.00 2.34 0.00 0.00 41.12 42.64 1kpq n ASP 137 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 1kpq s GLU 138 N -2.49 0.66 -0.24 -0.67 2.02 -0.83 -5.04 118.70 112.11 1kpq s GLU 138 Ca -0.25 -0.25 -0.29 0.00 0.02 0.00 0.00 54.97 54.20 1kpq s GLU 138 Cb 0.06 0.30 -0.01 0.00 0.10 0.00 0.00 34.13 34.58 1kpq s GLU 138 CO 0.71 -0.29 1.31 -1.25 0.02 0.00 0.00 175.26 175.76 1kpq s PRO 139 N -2.88 4.03 0.00 0.39 0.04 -1.26 -4.19 135.00 131.13 1kpq s PRO 139 Ca 0.07 1.44 0.23 0.00 0.04 0.00 0.00 61.00 62.79 1kpq s PRO 139 Cb -0.01 -3.85 1.40 0.00 0.04 0.00 0.00 34.50 32.09 1kpq s PRO 139 CO -0.07 -0.97 1.78 -0.35 0.04 0.00 0.00 177.00 177.43 1kpq n PRO 140 N 7.06 0.76 -4.04 0.56 -0.04 -1.26 -4.61 135.00 133.43 1kpq n PRO 140 Ca 0.15 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.26 1kpq n PRO 140 Cb 0.46 -1.48 -0.13 0.00 -0.04 0.00 0.00 33.50 32.30 1kpq n PRO 140 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1kpq s VAL 141 N -2.00 3.64 -0.06 0.52 -7.23 -1.26 -3.97 120.40 110.04 1kpq s VAL 141 Ca 0.35 -0.41 -0.31 0.00 -1.81 0.00 0.00 61.98 59.80 1kpq s VAL 141 Cb 0.16 -2.65 0.12 0.00 0.56 0.00 0.00 36.38 34.57 1kpq s VAL 141 CO 0.27 0.43 1.36 0.12 -0.31 0.00 0.00 175.10 176.97 1kpq s PHE 142 N 1.19 -0.00 -0.66 2.82 5.36 -1.26 -4.51 117.98 120.92 1kpq s PHE 142 Ca 0.03 -0.05 -0.07 0.00 -0.96 0.00 0.00 56.93 55.88 1kpq s PHE 142 Cb -0.14 0.52 -0.13 0.00 -0.34 0.00 0.00 43.02 42.93 1kpq s PHE 142 CO 0.00 -0.12 3.18 0.45 -1.46 0.00 0.00 175.22 177.27 1kpq n SER 143 N -0.79 6.70 -2.98 6.13 2.88 -1.26 -0.24 113.62 124.06 1kpq n SER 143 Ca -0.01 -2.69 -0.01 0.00 -1.33 0.00 0.00 58.87 54.83 1kpq n SER 143 Cb 0.61 -1.42 -0.01 0.00 -0.75 0.00 0.00 64.21 62.64 1kpq n SER 143 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 1kpq n ARG 144 N 2.45 -1.81 0.00 -1.46 0.63 -1.26 -5.03 116.66 110.18 1kpq n ARG 144 Ca 0.56 1.70 0.12 0.00 -0.92 0.00 0.00 57.85 59.30 1kpq n ARG 144 Cb 0.60 -2.54 0.71 0.00 0.45 0.00 0.00 32.46 31.68 1kpq n ARG 144 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77