#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 0.20 0.00 0.00 2.07 -1.98 -3.49 116.25 113.05 1kpq h VAL 3 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1kpq h VAL 3 Cb 0.00 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 29.97 1kpq h VAL 3 CO 0.00 0.00 0.00 -0.24 0.02 0.00 0.00 177.57 177.35 1kpq n SER 4 N -5.54 0.00 -0.00 0.57 2.88 -1.26 -4.93 113.62 105.34 1kpq n SER 4 Ca -0.14 0.00 0.22 0.00 -1.33 0.00 0.00 58.87 57.62 1kpq n SER 4 Cb 0.42 0.00 0.57 0.00 -0.75 0.00 0.00 64.21 64.45 1kpq n SER 4 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1kpq h GLU 5 N 0.00 0.00 0.28 -1.46 4.39 -1.98 0.38 114.58 116.19 1kpq h GLU 5 Ca 0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 1kpq h GLU 5 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1kpq h GLU 5 CO 0.00 0.00 -0.14 0.77 -1.16 0.00 0.00 179.01 178.48 1kpq h SER 6 N 0.00 -0.32 -0.89 1.42 0.02 -1.99 0.10 113.55 111.89 1kpq h SER 6 Ca 0.29 -0.17 -0.02 0.00 -0.84 0.00 0.00 61.79 61.06 1kpq h SER 6 Cb 1.91 0.08 -0.04 0.00 0.14 0.00 0.00 62.40 64.50 1kpq h SER 6 CO -0.00 0.01 0.50 -0.61 -1.14 0.00 0.00 176.83 175.58 1kpq h GLN 7 N -0.68 1.24 -0.16 3.45 5.75 -0.65 -2.41 115.11 121.64 1kpq h GLN 7 Ca -0.04 -0.14 -0.00 0.00 -0.15 0.00 0.00 58.65 58.32 1kpq h GLN 7 Cb 0.47 -0.25 -0.01 0.00 1.07 0.00 0.00 27.48 28.77 1kpq h GLN 7 CO 0.06 0.90 0.09 -0.07 -2.65 0.00 0.00 178.83 177.16 1kpq h LEU 8 N 1.25 0.21 -0.24 -2.39 4.07 -1.20 -1.92 115.31 115.08 1kpq h LEU 8 Ca 0.32 -0.09 0.05 0.00 0.08 0.00 0.00 57.88 58.24 1kpq h LEU 8 Cb 0.01 -0.05 -0.08 0.00 1.08 0.00 0.00 40.66 41.63 1kpq h LEU 8 CO -0.05 0.24 -0.42 0.50 -1.08 0.00 0.00 178.44 177.63 1kpq h LYS 9 N 0.16 -0.41 -0.90 1.13 1.63 -0.37 1.61 116.57 119.43 1kpq h LYS 9 Ca 0.06 0.03 0.22 0.00 -0.85 0.00 0.00 60.65 60.11 1kpq h LYS 9 Cb 0.08 0.09 -0.06 0.00 -0.60 0.00 0.00 32.23 31.74 1kpq h LYS 9 CO -0.01 -0.27 0.61 -0.22 -3.45 0.00 0.00 179.45 176.11 1kpq h LYS 10 N -0.42 0.29 0.00 1.90 3.64 -1.26 1.43 116.57 122.15 1kpq h LYS 10 Ca 0.10 -0.02 -0.17 0.00 -1.27 0.00 0.00 60.65 59.30 1kpq h LYS 10 Cb 0.60 -0.06 0.01 0.00 -0.41 0.00 0.00 32.23 32.37 1kpq h LYS 10 CO -0.46 0.19 -0.65 1.98 -2.27 0.00 0.00 179.45 178.24 1kpq h MET 11 N 0.29 0.43 -0.48 1.90 4.05 0.96 -3.12 114.93 118.97 1kpq h MET 11 Ca 0.46 -0.47 0.00 0.00 -0.28 0.00 0.00 59.70 59.41 1kpq h MET 11 Cb 1.32 0.13 0.00 0.00 -0.80 0.00 0.00 31.60 32.26 1kpq h MET 11 CO -0.14 1.13 0.00 1.33 0.23 0.00 0.00 176.91 179.46 1kpq n VAL 12 N -4.18 0.64 0.28 -5.77 0.24 0.49 -3.96 118.33 106.07 1kpq n VAL 12 Ca -0.10 -0.46 0.13 0.00 -2.04 0.00 0.00 64.34 61.87 1kpq n VAL 12 Cb 0.70 -0.01 0.81 0.00 -1.47 0.00 0.00 33.84 33.87 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 1.71 0.00 0.00 -1.34 0.87 0.19 -2.21 113.55 112.77 1kpq h SER 13 Ca 0.00 0.00 -0.23 0.00 -1.23 0.00 0.00 61.79 60.33 1kpq h SER 13 Cb 0.64 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.55 1kpq h SER 13 CO 0.07 0.06 -2.10 1.17 -0.53 0.00 0.00 176.83 175.50 1kpq n LYS 14 N -3.78 1.01 -1.69 2.24 4.81 -1.25 -4.97 118.16 114.52 1kpq n LYS 14 Ca -0.02 -0.05 -0.60 0.00 -0.87 0.00 0.00 58.31 56.77 1kpq n LYS 14 Cb 0.16 -1.45 -0.08 0.00 0.02 0.00 0.00 35.03 33.69 1kpq n LYS 14 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1kpq n TYR 15 N -2.51 1.78 0.26 5.64 4.02 -0.83 -4.85 117.16 120.67 1kpq n TYR 15 Ca -0.22 0.76 -0.16 0.00 -0.01 0.00 0.00 57.90 58.27 1kpq n TYR 15 Cb 0.91 -2.35 -0.08 0.00 -0.02 0.00 0.00 39.34 37.80 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 5.89 -0.79 -1.36 -0.72 1.63 -1.86 -2.25 116.57 117.12 1kpq h LYS 16 Ca -0.46 0.05 -0.40 0.00 -0.85 0.00 0.00 60.65 58.99 1kpq h LYS 16 Cb 1.34 0.18 -0.18 0.00 -0.60 0.00 0.00 32.23 32.98 1kpq h LYS 16 CO 0.91 -0.52 0.52 0.66 -3.45 0.00 0.00 179.45 177.57 1kpq n TYR 17 N -5.49 1.95 0.26 1.91 4.01 -1.24 -4.47 117.16 114.09 1kpq n TYR 17 Ca -0.11 -2.14 0.08 0.00 -0.16 0.00 0.00 57.90 55.57 1kpq n TYR 17 Cb 0.38 -1.04 0.62 0.00 -0.31 0.00 0.00 39.34 39.00 1kpq n TYR 17 CO 0.00 0.00 0.00 0.07 -0.46 0.00 0.00 176.86 176.47 1kpq h ARG 18 N 1.51 0.00 0.14 -0.72 0.11 -1.65 1.01 114.38 114.77 1kpq h ARG 18 Ca 0.37 0.00 -0.30 0.00 0.10 0.00 0.00 59.98 60.16 1kpq h ARG 18 Cb 1.01 0.00 0.03 0.00 1.11 0.00 0.00 29.97 32.12 1kpq h ARG 18 CO 0.94 0.02 -1.24 0.22 0.10 0.00 0.00 179.97 180.01 1kpq h ASP 19 N 0.00 0.85 0.13 0.08 3.58 -1.84 0.23 116.42 119.46 1kpq h ASP 19 Ca -0.00 -0.84 -0.15 0.00 0.42 0.00 0.00 57.03 56.46 1kpq h ASP 19 Cb 0.04 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 40.81 1kpq h ASP 19 CO 0.00 1.61 -0.54 -0.07 -2.88 0.00 0.00 179.24 177.36 1kpq h LEU 20 N 0.21 0.49 0.10 2.28 -0.00 -1.62 -1.22 115.31 115.55 1kpq h LEU 20 Ca -0.19 -0.26 -0.00 0.00 -0.00 0.00 0.00 57.88 57.42 1kpq h LEU 20 Cb 1.92 -0.14 0.00 0.00 -0.00 0.00 0.00 40.66 42.44 1kpq h LEU 20 CO 0.24 0.94 -0.05 0.74 -0.00 0.00 0.00 178.44 180.31 1kpq h THR 21 N 0.34 0.79 -0.96 0.22 2.02 0.98 -1.44 112.91 114.85 1kpq h THR 21 Ca 0.01 -1.35 0.18 0.00 0.77 0.00 0.00 66.41 66.02 1kpq h THR 21 Cb 1.06 1.41 -0.09 0.00 -1.74 0.00 0.00 68.15 68.79 1kpq h THR 21 CO 0.10 0.24 0.61 0.58 0.37 0.00 0.00 175.52 177.41 1kpq h VAL 22 N -0.95 0.75 -0.04 3.16 2.07 -0.59 1.17 116.25 121.83 1kpq h VAL 22 Ca -0.01 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 1kpq h VAL 22 Cb 0.49 -0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.25 1kpq h VAL 22 CO 0.02 0.13 -0.02 -0.09 0.02 0.00 0.00 177.57 177.63 1kpq h ARG 23 N 0.70 0.08 -0.71 1.57 2.43 -1.28 -0.52 114.38 116.65 1kpq h ARG 23 Ca 0.52 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.62 1kpq h ARG 23 Cb 0.88 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.39 1kpq h ARG 23 CO -0.28 0.47 0.31 0.93 -1.51 0.00 0.00 179.97 179.89 1kpq h GLU 24 N -0.31 1.04 0.96 0.20 5.08 0.04 -1.30 114.58 120.29 1kpq h GLU 24 Ca 0.01 -0.17 -0.05 0.00 -1.00 0.00 0.00 59.36 58.15 1kpq h GLU 24 Cb 0.45 -0.18 0.01 0.00 0.50 0.00 0.00 28.75 29.53 1kpq h GLU 24 CO 0.01 0.84 -0.46 1.15 -1.00 0.00 0.00 179.01 179.54 1kpq h THR 25 N 1.00 0.00 -0.92 1.13 2.02 0.14 0.31 112.91 116.59 1kpq h THR 25 Ca 0.24 -0.06 0.23 0.00 0.77 0.00 0.00 66.41 67.59 1kpq h THR 25 Cb 0.16 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 66.45 1kpq h THR 25 CO -0.03 0.00 0.44 1.62 0.37 0.00 0.00 175.52 177.92 1kpq h VAL 26 N -1.35 0.49 0.00 3.16 3.04 -1.04 1.04 116.25 121.59 1kpq h VAL 26 Ca -0.13 -0.15 0.00 0.00 -1.01 0.00 0.00 66.70 65.41 1kpq h VAL 26 Cb 0.99 0.01 0.00 0.00 -2.01 0.00 0.00 31.29 30.28 1kpq h VAL 26 CO 0.22 0.08 0.00 -3.20 -1.01 0.00 0.00 177.57 173.66 1kpq n ASN 27 N -5.01 0.00 -0.68 3.17 2.85 -0.50 0.11 115.26 115.20 1kpq n ASN 27 Ca 0.23 0.44 0.52 0.00 -0.11 0.00 0.00 54.58 55.66 1kpq n ASN 27 Cb 0.67 -0.07 0.80 0.00 1.24 0.00 0.00 39.78 42.43 1kpq n ASN 27 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 1kpq n VAL 28 N -0.70 -0.02 0.03 3.44 0.31 0.11 0.22 118.33 121.71 1kpq n VAL 28 Ca 0.00 1.50 -0.11 0.00 -0.01 0.00 0.00 64.34 65.72 1kpq n VAL 28 Cb 0.00 -2.49 -0.08 0.00 -0.91 0.00 0.00 33.84 30.36 1kpq n VAL 28 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1kpq h ILE 29 N 0.00 0.94 -0.49 2.52 1.08 0.12 -3.18 117.51 118.50 1kpq h ILE 29 Ca 0.92 -1.25 -0.07 0.00 -0.39 0.00 0.00 64.86 64.07 1kpq h ILE 29 Cb 3.65 1.60 -0.02 0.00 -3.07 0.00 0.00 36.82 38.98 1kpq h ILE 29 CO -0.05 0.25 0.02 0.74 -0.69 0.00 0.00 178.15 178.42 1kpq h THR 30 N -0.86 1.26 -1.30 -0.27 2.02 0.96 -2.40 112.91 112.33 1kpq h THR 30 Ca -0.02 -1.04 0.38 0.00 0.77 0.00 0.00 66.41 66.50 1kpq h THR 30 Cb 0.55 0.97 -0.06 0.00 -1.74 0.00 0.00 68.15 67.86 1kpq h THR 30 CO 0.03 0.37 0.92 0.25 0.37 0.00 0.00 175.52 177.45 1kpq h LEU 31 N 0.71 0.07 0.00 2.58 5.85 0.25 -3.41 115.31 121.37 1kpq h LEU 31 Ca 0.14 0.02 -0.62 0.00 0.84 0.00 0.00 57.88 58.26 1kpq h LEU 31 Cb 0.49 0.01 -0.12 0.00 0.37 0.00 0.00 40.66 41.40 1kpq h LEU 31 CO 0.02 -0.00 -0.48 -1.22 -0.34 0.00 0.00 178.44 176.42 1kpq n TYR 32 N -4.23 0.72 -3.23 1.25 4.01 -0.90 -5.06 117.16 109.71 1kpq n TYR 32 Ca 0.29 -2.57 -0.22 0.00 -0.16 0.00 0.00 57.90 55.25 1kpq n TYR 32 Cb 1.33 -0.19 -0.07 0.00 -0.31 0.00 0.00 39.34 40.10 1kpq n TYR 32 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1kpq n LYS 33 N -1.12 0.34 0.00 -0.72 5.02 -1.26 -4.82 118.16 115.60 1kpq n LYS 33 Ca -0.14 -2.92 0.00 0.00 -2.02 0.00 0.00 58.31 53.23 1kpq n LYS 33 Cb 0.63 -1.57 0.00 0.00 -0.02 0.00 0.00 35.03 34.08 1kpq n LYS 33 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1kpq n ASP 34 N 2.63 0.00 -4.71 4.39 -0.08 -1.26 -5.11 116.55 112.41 1kpq n ASP 34 Ca 0.26 0.00 -0.42 0.00 -1.51 0.00 0.00 54.79 53.12 1kpq n ASP 34 Cb 0.51 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.94 1kpq n ASP 34 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1kpq s LEU 35 N 0.00 4.37 -0.11 -2.67 1.02 -1.26 -4.68 118.68 115.35 1kpq s LEU 35 Ca 0.00 2.59 0.02 0.00 0.02 0.00 0.00 54.13 56.76 1kpq s LEU 35 Cb 0.00 -3.58 -0.01 0.00 0.02 0.00 0.00 46.19 42.62 1kpq s LEU 35 CO 0.00 -0.87 -0.17 -0.54 0.02 0.00 0.00 176.35 174.79 1kpq s LYS 36 N 1.84 3.22 0.21 1.70 1.02 0.53 -4.95 119.74 123.31 1kpq s LYS 36 Ca 0.73 -0.76 -0.30 0.00 0.02 0.00 0.00 55.97 55.66 1kpq s LYS 36 Cb -0.43 -2.49 -0.08 0.00 -0.52 0.00 0.00 37.83 34.31 1kpq s LYS 36 CO 0.32 0.22 1.10 -1.25 -0.92 0.00 0.00 175.35 174.82 1kpq s PRO 37 N 0.30 4.61 0.36 -1.68 0.04 -1.26 -2.48 135.00 134.89 1kpq s PRO 37 Ca -0.13 1.75 0.06 0.00 0.04 0.00 0.00 61.00 62.72 1kpq s PRO 37 Cb -0.16 -3.25 -0.07 0.00 0.04 0.00 0.00 34.50 31.06 1kpq s PRO 37 CO 0.07 0.13 0.01 0.08 0.04 0.00 0.00 177.00 177.33 1kpq s VAL 38 N -0.57 1.68 -0.23 -0.36 1.01 0.28 -4.97 120.40 117.22 1kpq s VAL 38 Ca 0.48 -2.03 -0.03 0.00 0.00 0.00 0.00 61.98 60.39 1kpq s VAL 38 Cb -0.30 -2.83 0.12 0.00 0.00 0.00 0.00 36.38 33.37 1kpq s VAL 38 CO 0.37 -0.05 0.33 -0.22 0.00 0.00 0.00 175.10 175.53 1kpq s LEU 39 N -3.59 -0.48 -0.03 3.92 1.98 -1.26 -0.97 118.68 118.26 1kpq s LEU 39 Ca 0.35 0.09 0.02 0.00 -2.89 0.00 0.00 54.13 51.69 1kpq s LEU 39 Cb 0.08 0.90 0.01 0.00 0.66 0.00 0.00 46.19 47.84 1kpq s LEU 39 CO 0.16 -0.31 -0.07 -0.62 -1.89 0.00 0.00 176.35 173.62 1kpq s ASP 40 N 2.48 1.02 0.06 3.68 2.15 -0.85 -4.98 116.67 120.24 1kpq s ASP 40 Ca 0.11 -0.15 -0.08 0.00 0.43 0.00 0.00 52.55 52.86 1kpq s ASP 40 Cb -0.15 -0.34 -0.05 0.00 -0.30 0.00 0.00 42.92 42.07 1kpq s ASP 40 CO -0.15 0.02 0.35 -0.94 -0.17 0.00 0.00 175.17 174.28 1kpq s SER 41 N 0.40 6.56 -0.10 -0.34 1.04 -1.26 -2.48 113.70 117.53 1kpq s SER 41 Ca -0.06 0.67 0.02 0.00 0.48 0.00 0.00 55.95 57.07 1kpq s SER 41 Cb -0.10 -2.13 -0.02 0.00 0.10 0.00 0.00 66.02 63.88 1kpq s SER 41 CO 0.00 0.18 -0.16 -0.47 0.98 0.00 0.00 173.24 173.78 1kpq s TYR 42 N -1.40 2.71 -0.18 5.02 5.04 -0.29 -4.88 117.35 123.37 1kpq s TYR 42 Ca 0.32 -0.58 -0.29 0.00 -2.44 0.00 0.00 57.07 54.09 1kpq s TYR 42 Cb -0.13 -1.75 -0.00 0.00 0.35 0.00 0.00 41.96 40.43 1kpq s TYR 42 CO 0.18 -0.14 1.01 0.54 -1.34 0.00 0.00 175.55 175.80 1kpq s VAL 43 N 0.02 4.74 0.20 3.14 0.11 -1.26 -1.18 120.40 126.17 1kpq s VAL 43 Ca -0.06 1.99 -0.22 0.00 -2.93 0.00 0.00 61.98 60.77 1kpq s VAL 43 Cb -0.15 -4.29 -0.08 0.00 -1.53 0.00 0.00 36.38 30.33 1kpq s VAL 43 CO 0.05 -0.09 0.74 -0.36 -3.33 0.00 0.00 175.10 172.11 1kpq s PHE 44 N 2.65 3.74 -1.05 1.54 0.40 0.46 -4.93 117.98 120.79 1kpq s PHE 44 Ca 0.45 1.48 -0.25 0.00 -0.60 0.00 0.00 56.93 58.00 1kpq s PHE 44 Cb -0.16 -2.67 -0.16 0.00 0.51 0.00 0.00 43.02 40.53 1kpq s PHE 44 CO 0.11 0.40 2.10 -0.80 0.70 0.00 0.00 175.22 177.73 1kpq s ASN 45 N -1.46 4.07 0.00 1.36 -0.87 -1.26 -2.23 114.94 114.55 1kpq s ASN 45 Ca 0.40 -0.98 0.00 0.00 -1.57 0.00 0.00 52.86 50.72 1kpq s ASN 45 Cb -0.19 -2.58 0.00 0.00 -0.02 0.00 0.00 41.25 38.46 1kpq s ASN 45 CO 0.23 -4.01 0.00 -0.67 -2.57 0.00 0.00 177.10 170.08 1kpq n ASP 46 N 17.63 0.00 0.00 -1.22 -0.08 -1.26 -5.03 116.55 126.59 1kpq n ASP 46 Ca 0.43 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.71 1kpq n ASP 46 Cb 0.46 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.92 1kpq n ASP 46 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1kpq n GLY 47 N -0.63 0.62 3.61 0.27 0.00 -0.95 -5.16 105.19 102.96 1kpq n GLY 47 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1kpq n GLY 47 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1kpq s SER 48 N -0.20 -0.39 -0.03 1.61 0.01 -1.24 -5.02 113.70 108.42 1kpq s SER 48 Ca 0.00 0.63 0.07 0.00 1.31 0.00 0.00 55.95 57.95 1kpq s SER 48 Cb 0.00 0.59 -0.02 0.00 0.21 0.00 0.00 66.02 66.80 1kpq s SER 48 CO 0.00 -0.22 -0.24 -0.94 0.41 0.00 0.00 173.24 172.24 1kpq s SER 49 N -0.36 2.91 -0.07 2.44 1.04 -1.26 0.17 113.70 118.57 1kpq s SER 49 Ca 0.01 -0.46 0.01 0.00 0.48 0.00 0.00 55.95 55.99 1kpq s SER 49 Cb -0.03 -0.51 -0.03 0.00 0.10 0.00 0.00 66.02 65.55 1kpq s SER 49 CO -0.03 0.28 -0.08 -0.60 0.98 0.00 0.00 173.24 173.79 1kpq s ARG 50 N -0.40 2.78 -0.18 4.02 3.52 -0.33 -4.86 118.95 123.49 1kpq s ARG 50 Ca 0.04 -0.56 -0.27 0.00 -0.13 0.00 0.00 55.73 54.80 1kpq s ARG 50 Cb -0.11 -2.58 -0.00 0.00 -1.56 0.00 0.00 34.95 30.69 1kpq s ARG 50 CO 0.01 0.63 0.94 -2.00 -0.81 0.00 0.00 175.30 174.07 1kpq s GLU 51 N -0.72 4.30 -0.04 5.12 2.12 -1.26 -1.13 118.70 127.08 1kpq s GLU 51 Ca 0.11 1.21 0.03 0.00 0.36 0.00 0.00 54.97 56.68 1kpq s GLU 51 Cb -0.11 -3.60 0.00 0.00 0.26 0.00 0.00 34.13 30.68 1kpq s GLU 51 CO 0.01 -0.45 -0.13 -0.51 -0.54 0.00 0.00 175.26 173.64 1kpq s LEU 52 N 2.57 1.80 0.91 2.70 2.01 -1.04 -4.96 118.68 122.67 1kpq s LEU 52 Ca 0.42 -0.28 -0.12 0.00 0.01 0.00 0.00 54.13 54.16 1kpq s LEU 52 Cb -0.16 -0.79 0.13 0.00 0.01 0.00 0.00 46.19 45.39 1kpq s LEU 52 CO 0.11 0.09 1.13 -0.32 1.01 0.00 0.00 176.35 178.37 1kpq s MET 53 N 0.25 1.18 -0.12 1.70 1.75 -1.26 -2.00 119.30 120.81 1kpq s MET 53 Ca -0.06 0.32 -0.25 0.00 -1.25 0.00 0.00 55.69 54.45 1kpq s MET 53 Cb -0.12 -1.84 0.06 0.00 2.84 0.00 0.00 34.83 35.77 1kpq s MET 53 CO 0.02 -2.17 0.62 -0.80 -0.65 0.00 0.00 175.02 172.03 1kpq s ASN 54 N -4.00 -0.60 -0.27 1.11 0.01 -0.14 -1.07 114.94 109.98 1kpq s ASN 54 Ca 0.64 0.86 0.02 0.00 -0.71 0.00 0.00 52.86 53.67 1kpq s ASN 54 Cb -0.15 0.81 0.07 0.00 0.41 0.00 0.00 41.25 42.39 1kpq s ASN 54 CO 0.54 -0.44 -0.04 -0.76 -1.51 0.00 0.00 177.10 174.88 1kpq s LEU 55 N -0.61 3.30 0.05 0.60 1.43 -0.34 0.98 118.68 124.10 1kpq s LEU 55 Ca -0.07 -1.48 0.08 0.00 -1.03 0.00 0.00 54.13 51.63 1kpq s LEU 55 Cb -0.02 -1.38 -0.03 0.00 0.03 0.00 0.00 46.19 44.78 1kpq s LEU 55 CO 0.06 -0.26 -0.20 0.28 0.23 0.00 0.00 176.35 176.46 1kpq s THR 56 N 1.20 2.67 -1.45 5.49 -1.32 -1.03 -1.09 115.64 120.11 1kpq s THR 56 Ca -0.03 -1.28 0.00 0.00 -1.21 0.00 0.00 61.69 59.17 1kpq s THR 56 Cb -0.19 -2.12 0.00 0.00 -1.51 0.00 0.00 72.50 68.67 1kpq s THR 56 CO -0.07 0.30 0.00 0.61 -2.21 0.00 0.00 174.62 173.25 1kpq n GLY 57 N 1.48 -1.29 3.02 6.08 0.00 -1.03 -0.35 105.19 113.09 1kpq n GLY 57 Ca -0.16 -0.93 -0.20 0.00 0.00 0.00 0.00 46.02 44.73 1kpq n GLY 57 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1kpq s THR 58 N -2.98 0.80 -0.06 2.61 -4.23 -1.26 -2.07 115.64 108.44 1kpq s THR 58 Ca 0.00 -0.39 -0.02 0.00 -1.18 0.00 0.00 61.69 60.10 1kpq s THR 58 Cb 0.00 -0.69 -0.04 0.00 1.34 0.00 0.00 72.50 73.11 1kpq s THR 58 CO 0.00 0.24 0.04 -0.63 -0.54 0.00 0.00 174.62 173.73 1kpq s ILE 59 N 0.04 4.56 -0.09 2.99 1.09 -0.96 -4.73 121.20 124.11 1kpq s ILE 59 Ca -0.01 -0.27 -0.30 0.00 -1.10 0.00 0.00 60.65 58.98 1kpq s ILE 59 Cb -0.07 -2.98 -0.03 0.00 -1.06 0.00 0.00 42.46 38.32 1kpq s ILE 59 CO 0.00 0.52 1.26 -2.16 -0.10 0.00 0.00 174.94 174.46 1kpq s PRO 60 N -1.19 4.30 -0.31 2.79 0.04 -1.24 -2.05 135.00 137.34 1kpq s PRO 60 Ca 0.17 1.72 0.01 0.00 0.04 0.00 0.00 61.00 62.93 1kpq s PRO 60 Cb -0.12 -3.65 0.07 0.00 0.04 0.00 0.00 34.50 30.85 1kpq s PRO 60 CO 0.06 -0.57 -0.00 0.08 0.04 0.00 0.00 177.00 176.62 1kpq s VAL 61 N 2.74 2.56 -0.96 -0.36 1.01 0.91 -4.82 120.40 121.48 1kpq s VAL 61 Ca 0.57 -1.80 -0.24 0.00 0.00 0.00 0.00 61.98 60.51 1kpq s VAL 61 Cb -0.25 -2.62 0.01 0.00 0.00 0.00 0.00 36.38 33.52 1kpq s VAL 61 CO 0.20 -0.28 1.66 -2.16 0.00 0.00 0.00 175.10 174.52 1kpq s PRO 62 N 1.10 3.13 -1.33 2.72 0.04 -1.25 0.12 135.00 139.53 1kpq s PRO 62 Ca -0.01 -0.72 -0.17 0.00 0.04 0.00 0.00 61.00 60.14 1kpq s PRO 62 Cb -0.20 -5.19 0.06 0.00 0.04 0.00 0.00 34.50 29.21 1kpq s PRO 62 CO -0.05 -2.71 1.85 0.98 0.04 0.00 0.00 177.00 177.11 1kpq n TYR 63 N 11.10 4.41 0.00 0.56 4.19 0.47 -4.36 117.16 133.53 1kpq n TYR 63 Ca 0.35 -2.86 0.00 0.00 3.31 0.00 0.00 57.90 58.70 1kpq n TYR 63 Cb 0.49 -2.62 0.00 0.00 0.49 0.00 0.00 39.34 37.70 1kpq n TYR 63 CO 0.00 0.00 0.00 0.54 0.91 0.00 0.00 176.86 178.31 1kpq n ARG 64 N 7.90 0.00 0.00 2.98 5.12 -1.26 -3.44 116.66 127.96 1kpq n ARG 64 Ca 0.50 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.42 1kpq n ARG 64 Cb 0.44 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.74 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 0.00 0.14 3.82 -0.13 0.00 -1.26 -5.13 105.19 102.63 1kpq n GLY 65 Ca 0.00 -0.08 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.89 6.96 -0.22 1.61 -0.87 -1.22 -4.94 114.94 115.36 1kpq s ASN 66 Ca 0.00 1.62 -0.09 0.00 -1.57 0.00 0.00 52.86 52.82 1kpq s ASN 66 Cb 0.00 -2.51 -0.04 0.00 -0.02 0.00 0.00 41.25 38.68 1kpq s ASN 66 CO 0.00 -0.28 0.12 -0.89 -2.57 0.00 0.00 177.10 173.48 1kpq s THR 67 N -2.04 5.03 0.22 1.60 2.01 -1.25 0.18 115.64 121.38 1kpq s THR 67 Ca 0.58 0.06 0.05 0.00 0.31 0.00 0.00 61.69 62.69 1kpq s THR 67 Cb -0.11 -3.32 -0.03 0.00 0.01 0.00 0.00 72.50 69.05 1kpq s THR 67 CO 0.16 0.38 0.32 -0.47 -0.69 0.00 0.00 174.62 174.31 1kpq s TYR 68 N 0.95 3.41 -0.81 4.92 6.14 0.32 -4.75 117.35 127.52 1kpq s TYR 68 Ca 0.06 -0.01 0.01 0.00 0.64 0.00 0.00 57.07 57.77 1kpq s TYR 68 Cb -0.13 -1.56 0.20 0.00 0.42 0.00 0.00 41.96 40.88 1kpq s TYR 68 CO 0.03 0.46 0.66 -0.80 0.64 0.00 0.00 175.55 176.55 1kpq s ASN 69 N -3.82 5.52 -0.28 4.32 0.01 -1.26 -0.07 114.94 119.37 1kpq s ASN 69 Ca 0.34 -3.76 -0.29 0.00 -0.71 0.00 0.00 52.86 48.44 1kpq s ASN 69 Cb -0.09 -1.80 -0.01 0.00 0.41 0.00 0.00 41.25 39.76 1kpq s ASN 69 CO 0.28 -0.15 1.48 -0.63 -1.51 0.00 0.00 177.10 176.58 1kpq s ILE 70 N -1.37 3.88 0.32 0.60 -1.09 -0.87 -4.77 121.20 117.90 1kpq s ILE 70 Ca 0.26 0.97 -0.28 0.00 -2.23 0.00 0.00 60.65 59.38 1kpq s ILE 70 Cb -0.07 -3.94 -0.09 0.00 -1.58 0.00 0.00 42.46 36.78 1kpq s ILE 70 CO -0.14 -0.43 1.07 -2.16 -1.23 0.00 0.00 174.94 172.05 1kpq s PRO 71 N 4.58 4.48 0.12 2.79 0.04 -1.26 -2.26 135.00 143.49 1kpq s PRO 71 Ca 0.65 1.68 -0.18 0.00 0.04 0.00 0.00 61.00 63.19 1kpq s PRO 71 Cb -0.20 -2.96 0.04 0.00 0.04 0.00 0.00 34.50 31.42 1kpq s PRO 71 CO 0.28 0.11 0.44 0.96 0.04 0.00 0.00 177.00 178.82 1kpq s ILE 72 N -1.34 0.05 0.02 0.56 -5.25 -0.88 -3.69 121.20 110.68 1kpq s ILE 72 Ca 0.49 -0.45 -0.07 0.00 -0.99 0.00 0.00 60.65 59.63 1kpq s ILE 72 Cb -0.28 -1.11 -0.00 0.00 2.95 0.00 0.00 42.46 44.01 1kpq s ILE 72 CO 0.36 -0.25 0.13 0.00 -1.79 0.00 0.00 174.94 173.39 1kpq s LEU 74 N -1.78 2.15 -0.14 0.00 0.20 -0.25 -2.58 118.68 116.28 1kpq s LEU 74 Ca -0.10 -0.36 -0.02 0.00 0.69 0.00 0.00 54.13 54.35 1kpq s LEU 74 Cb -0.04 -0.23 -0.02 0.00 -0.43 0.00 0.00 46.19 45.47 1kpq s LEU 74 CO -0.02 -0.08 -0.09 0.26 -0.29 0.00 0.00 176.35 176.14 1kpq s TRP 75 N -0.83 2.91 0.69 5.38 0.52 -1.03 -1.20 118.94 125.38 1kpq s TRP 75 Ca -0.04 -0.49 -0.07 0.00 0.02 0.00 0.00 56.10 55.51 1kpq s TRP 75 Cb -0.07 -1.90 0.05 0.00 -1.15 0.00 0.00 33.47 30.41 1kpq s TRP 75 CO 0.00 -0.14 1.01 -0.51 0.02 0.00 0.00 176.95 177.34 1kpq s LEU 76 N 0.38 2.86 0.11 2.99 2.01 -0.24 -2.32 118.68 124.47 1kpq s LEU 76 Ca -0.08 0.56 -0.15 0.00 0.01 0.00 0.00 54.13 54.47 1kpq s LEU 76 Cb -0.15 -3.23 0.03 0.00 0.01 0.00 0.00 46.19 42.85 1kpq s LEU 76 CO 0.04 -1.52 0.38 -1.48 1.01 0.00 0.00 176.35 174.78 1kpq s LEU 77 N -5.24 0.53 -0.06 1.79 -0.00 -1.26 -4.58 118.68 109.87 1kpq s LEU 77 Ca 0.59 -0.30 0.04 0.00 -0.00 0.00 0.00 54.13 54.46 1kpq s LEU 77 Cb -0.11 1.72 -0.25 0.00 -0.00 0.00 0.00 46.19 47.55 1kpq s LEU 77 CO 0.45 -0.80 0.61 0.44 -0.00 0.00 0.00 176.35 177.05 1kpq h ASP 78 N 2.54 0.18 0.00 1.48 5.19 -1.96 -3.45 116.42 120.41 1kpq h ASP 78 Ca -0.33 -0.38 0.00 0.00 -0.62 0.00 0.00 57.03 55.70 1kpq h ASP 78 Cb 1.24 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 40.69 1kpq h ASP 78 CO 0.47 1.34 0.00 1.07 -3.12 0.00 0.00 179.24 179.00 1kpq n THR 79 N -3.24 0.00 -1.61 0.35 5.66 -1.26 -3.59 114.28 110.59 1kpq n THR 79 Ca -0.21 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.48 1kpq n THR 79 Cb 1.05 0.00 0.04 0.00 -1.55 0.00 0.00 70.33 69.87 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 -1.28 3.18 -0.03 1.09 1.13 -1.26 -1.02 117.35 119.15 1kpq s TYR 80 Ca 0.00 1.40 -0.23 0.00 -1.41 0.00 0.00 57.07 56.83 1kpq s TYR 80 Cb 0.00 -2.86 -0.23 0.00 -1.10 0.00 0.00 41.96 37.77 1kpq s TYR 80 CO 0.00 -1.16 1.08 -1.00 -2.51 0.00 0.00 175.55 171.95 1kpq h PRO 81 N -0.67 0.22 0.00 -3.49 0.13 -1.97 -3.39 132.00 122.83 1kpq h PRO 81 Ca -0.44 -0.22 -0.26 0.00 -0.87 0.00 0.00 66.00 64.22 1kpq h PRO 81 Cb 1.21 0.06 -0.05 0.00 0.13 0.00 0.00 31.00 32.35 1kpq h PRO 81 CO 0.57 0.92 -1.97 0.98 -0.23 0.00 0.00 178.00 178.27 1kpq n TYR 82 N -4.48 0.00 0.00 1.56 9.36 -1.24 -5.04 117.16 117.33 1kpq n TYR 82 Ca -0.09 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.13 1kpq n TYR 82 Cb 0.51 -0.67 0.00 0.00 -0.63 0.00 0.00 39.34 38.55 1kpq n TYR 82 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 1kpq n ASN 83 N -2.80 0.00 -4.80 2.98 2.85 -0.19 -5.01 115.26 108.29 1kpq n ASN 83 Ca -0.27 0.00 -0.33 0.00 -0.11 0.00 0.00 54.58 53.87 1kpq n ASN 83 Cb 0.88 0.00 -0.01 0.00 1.24 0.00 0.00 39.78 41.89 1kpq n ASN 83 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 1kpq s PRO 84 N 0.00 3.55 0.64 1.20 0.04 -1.26 -4.71 135.00 134.46 1kpq s PRO 84 Ca 0.00 1.24 -0.11 0.00 0.04 0.00 0.00 61.00 62.17 1kpq s PRO 84 Cb 0.00 -2.06 0.15 0.00 0.04 0.00 0.00 34.50 32.63 1kpq s PRO 84 CO 0.00 -0.62 0.70 -0.35 0.04 0.00 0.00 177.00 176.77 1kpq n PRO 85 N -1.60 -1.48 -4.02 0.56 -0.04 -1.26 -4.41 135.00 122.76 1kpq n PRO 85 Ca 0.09 -1.11 -0.31 0.00 -0.04 0.00 0.00 63.50 62.14 1kpq n PRO 85 Cb 0.53 -0.87 -0.06 0.00 -0.04 0.00 0.00 33.50 33.06 1kpq n PRO 85 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1kpq s ILE 86 N -2.43 4.75 -0.09 0.52 1.09 -0.98 -4.97 121.20 119.09 1kpq s ILE 86 Ca 0.42 -0.66 0.03 0.00 -1.10 0.00 0.00 60.65 59.34 1kpq s ILE 86 Cb -0.03 -3.29 0.01 0.00 -1.06 0.00 0.00 42.46 38.09 1kpq s ILE 86 CO 0.31 0.14 -0.20 0.00 -0.10 0.00 0.00 174.94 175.09 1kpq s PHE 88 N 0.52 -0.64 0.80 0.00 -0.71 -1.07 -0.96 117.98 115.93 1kpq s PHE 88 Ca -0.16 1.22 -0.12 0.00 -1.04 0.00 0.00 56.93 56.84 1kpq s PHE 88 Cb -0.17 0.35 0.07 0.00 -1.21 0.00 0.00 43.02 42.06 1kpq s PHE 88 CO 0.06 -0.54 1.10 0.14 -1.34 0.00 0.00 175.22 174.64 1kpq s VAL 89 N -0.86 2.98 -0.44 -2.49 -7.23 -0.93 -1.36 120.40 110.07 1kpq s VAL 89 Ca -0.09 0.32 0.07 0.00 -1.81 0.00 0.00 61.98 60.47 1kpq s VAL 89 Cb -0.01 -3.09 0.26 0.00 0.56 0.00 0.00 36.38 34.10 1kpq s VAL 89 CO 0.08 -0.42 0.77 0.29 -0.31 0.00 0.00 175.10 175.51 1kpq n LYS 90 N -3.43 0.80 -1.50 4.82 4.76 -1.24 -4.66 118.16 117.70 1kpq n LYS 90 Ca 0.07 -2.41 -0.30 0.00 -2.87 0.00 0.00 58.31 52.80 1kpq n LYS 90 Cb 0.57 -1.35 0.22 0.00 -1.84 0.00 0.00 35.03 32.62 1kpq n LYS 90 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1kpq s PRO 91 N -0.27 -0.36 0.00 1.97 0.04 -1.26 -4.57 135.00 130.55 1kpq s PRO 91 Ca 0.33 -0.26 0.00 0.00 0.04 0.00 0.00 61.00 61.10 1kpq s PRO 91 Cb 0.23 -1.72 0.00 0.00 0.04 0.00 0.00 34.50 33.05 1kpq s PRO 91 CO -0.16 -3.11 0.00 0.25 0.04 0.00 0.00 177.00 174.02 1kpq n THR 92 N -4.29 0.00 0.04 1.26 -2.24 -1.26 -5.02 114.28 102.77 1kpq n THR 92 Ca 0.15 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.72 1kpq n THR 92 Cb 0.59 -1.87 -0.14 0.00 -2.10 0.00 0.00 70.33 66.82 1kpq n THR 92 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 1kpq h SER 93 N 0.00 0.44 0.06 3.42 0.87 -2.00 -3.35 113.55 112.99 1kpq h SER 93 Ca 0.00 -0.92 0.02 0.00 -1.23 0.00 0.00 61.79 59.66 1kpq h SER 93 Cb 0.00 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 61.79 1kpq h SER 93 CO 0.00 1.47 -0.15 0.28 -0.53 0.00 0.00 176.83 177.89 1kpq h SER 94 N -0.36 -0.42 -2.81 6.23 0.02 -2.06 -3.43 113.55 110.72 1kpq h SER 94 Ca -0.20 0.05 -0.36 0.00 -0.84 0.00 0.00 61.79 60.45 1kpq h SER 94 Cb 1.68 0.17 0.21 0.00 0.14 0.00 0.00 62.40 64.59 1kpq h SER 94 CO 0.12 -0.22 -0.20 0.23 -1.14 0.00 0.00 176.83 175.63 1kpq n MET 95 N -5.28 -3.96 -1.11 3.45 2.00 -1.26 -5.06 117.12 105.89 1kpq n MET 95 Ca -0.06 -1.17 0.00 0.00 0.00 0.00 0.00 57.70 56.47 1kpq n MET 95 Cb 0.20 -1.90 0.00 0.00 0.00 0.00 0.00 33.22 31.52 1kpq n MET 95 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 1kpq n THR 96 N -5.44 0.00 -3.58 2.03 -2.24 -1.24 -4.85 114.28 98.95 1kpq n THR 96 Ca 0.10 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.70 1kpq n THR 96 Cb 0.56 0.00 -0.14 0.00 -2.10 0.00 0.00 70.33 68.65 1kpq n THR 96 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1kpq s ILE 97 N -1.10 -0.31 -0.82 2.28 1.01 -1.23 -4.54 121.20 116.49 1kpq s ILE 97 Ca 0.00 0.09 -0.19 0.00 0.00 0.00 0.00 60.65 60.56 1kpq s ILE 97 Cb 0.00 -0.52 0.13 0.00 0.01 0.00 0.00 42.46 42.09 1kpq s ILE 97 CO 0.00 -0.05 0.98 -0.75 0.00 0.00 0.00 174.94 175.12 1kpq s LYS 98 N 2.32 3.44 0.18 2.79 2.47 -1.10 -5.00 119.74 124.85 1kpq s LYS 98 Ca 0.05 -1.67 -0.29 0.00 -1.56 0.00 0.00 55.97 52.50 1kpq s LYS 98 Cb -0.14 -4.64 -0.17 0.00 -1.46 0.00 0.00 37.83 31.42 1kpq s LYS 98 CO -0.09 -1.67 0.58 0.25 0.16 0.00 0.00 175.35 174.58 1kpq n THR 99 N 5.33 1.82 -1.61 3.43 -2.24 -1.26 -4.90 114.28 114.85 1kpq n THR 99 Ca 0.13 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 1kpq n THR 99 Cb 0.47 -0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.68 1kpq n THR 99 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1kpq n GLY 100 N 1.94 5.40 0.20 3.38 0.00 0.10 -4.98 105.19 111.23 1kpq n GLY 100 Ca 0.18 -1.07 -0.16 0.00 0.00 0.00 0.00 46.02 44.97 1kpq n GLY 100 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1kpq h LYS 101 N 0.00 0.68 0.00 1.61 6.56 -2.00 -3.40 116.57 120.02 1kpq h LYS 101 Ca 0.00 -0.51 -0.26 0.00 -1.06 0.00 0.00 60.65 58.82 1kpq h LYS 101 Cb 0.00 0.09 -0.04 0.00 -0.57 0.00 0.00 32.23 31.72 1kpq h LYS 101 CO 0.00 1.13 -1.85 -2.39 -2.06 0.00 0.00 179.45 174.28 1kpq n HIS 102 N -4.11 0.00 -1.54 -1.35 1.44 -1.26 -4.85 115.22 103.55 1kpq n HIS 102 Ca -0.07 0.00 -0.31 0.00 -2.01 0.00 0.00 57.72 55.33 1kpq n HIS 102 Cb 0.64 -0.55 -0.07 0.00 0.12 0.00 0.00 29.99 30.13 1kpq n HIS 102 CO 0.00 0.00 0.00 1.33 -2.81 0.00 0.00 176.34 174.86 1kpq n VAL 103 N -3.70 -0.05 -1.05 0.61 0.24 -1.24 -3.79 118.33 109.35 1kpq n VAL 103 Ca -0.30 -0.59 -0.09 0.00 -2.04 0.00 0.00 64.34 61.32 1kpq n VAL 103 Cb 0.71 -2.07 0.07 0.00 -1.47 0.00 0.00 33.84 31.09 1kpq n VAL 103 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1kpq n ASP 104 N 15.04 -0.49 -0.12 -1.34 8.00 -0.39 0.02 116.55 137.27 1kpq n ASP 104 Ca 0.46 -0.98 -0.01 0.00 0.71 0.00 0.00 54.79 54.97 1kpq n ASP 104 Cb 0.41 -0.31 0.23 0.00 -0.02 0.00 0.00 41.12 41.43 1kpq n ASP 104 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1kpq h ALA 105 N -2.05 1.31 0.00 2.24 0.00 -1.90 -1.50 119.26 117.36 1kpq h ALA 105 Ca -0.13 -0.17 -0.14 0.00 0.00 0.00 0.00 54.91 54.47 1kpq h ALA 105 Cb 0.37 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1kpq h ALA 105 CO 0.09 0.50 -0.67 -0.91 0.00 0.00 0.00 179.25 178.26 1kpq h ASN 106 N 0.77 0.00 0.00 0.00 2.35 -1.98 -3.47 115.58 113.25 1kpq h ASN 106 Ca 0.18 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.93 1kpq h ASN 106 Cb 0.21 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.58 1kpq h ASN 106 CO -0.01 0.67 0.00 0.61 -1.65 0.00 0.00 177.43 177.05 1kpq n GLY 107 N 1.03 1.07 3.67 2.83 0.00 -0.56 -4.82 105.19 108.40 1kpq n GLY 107 Ca 0.01 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.56 1kpq n GLY 107 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1kpq n LYS 108 N -0.54 2.12 -3.60 1.61 4.81 -1.26 -2.19 118.16 119.10 1kpq n LYS 108 Ca 0.00 0.76 -0.40 0.00 -0.87 0.00 0.00 58.31 57.80 1kpq n LYS 108 Cb 0.00 -2.53 -0.10 0.00 0.02 0.00 0.00 35.03 32.42 1kpq n LYS 108 CO 0.00 0.00 0.00 0.96 1.17 0.00 0.00 177.40 179.53 1kpq s ILE 109 N 0.91 4.20 -0.55 3.15 -4.36 -0.13 -1.26 121.20 123.17 1kpq s ILE 109 Ca 0.79 -1.47 0.04 0.00 -0.26 0.00 0.00 60.65 59.75 1kpq s ILE 109 Cb -0.69 -3.61 0.38 0.00 1.25 0.00 0.00 42.46 39.79 1kpq s ILE 109 CO 0.38 -0.55 1.15 0.00 0.24 0.00 0.00 174.94 176.16 1kpq n TYR 110 N 4.91 3.59 -1.20 1.37 4.11 -1.25 -4.41 117.16 124.28 1kpq n TYR 110 Ca -0.10 -3.35 -0.38 0.00 -0.00 0.00 0.00 57.90 54.07 1kpq n TYR 110 Cb 0.43 -0.35 0.01 0.00 -0.00 0.00 0.00 39.34 39.42 1kpq n TYR 110 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.86 178.14 1kpq n LEU 111 N -0.38 -3.84 0.07 -3.48 4.32 -1.26 -4.86 117.00 107.57 1kpq n LEU 111 Ca 0.38 0.60 -0.11 0.00 -0.02 0.00 0.00 56.01 56.85 1kpq n LEU 111 Cb 0.52 -0.82 -0.01 0.00 -1.62 0.00 0.00 43.42 41.48 1kpq n LEU 111 CO 0.35 -4.82 0.26 1.55 -1.22 0.00 0.00 177.39 173.52 1kpq h PRO 112 N -0.11 0.36 -0.12 3.23 0.13 -1.98 -3.28 132.00 130.23 1kpq h PRO 112 Ca -0.41 -0.35 0.04 0.00 -0.87 0.00 0.00 66.00 64.42 1kpq h PRO 112 Cb 1.41 0.09 -0.04 0.00 0.13 0.00 0.00 31.00 32.58 1kpq h PRO 112 CO 0.39 1.02 -0.14 -0.92 -0.23 0.00 0.00 178.00 178.12 1kpq h TYR 113 N 0.22 -0.36 -0.54 1.56 3.20 -1.92 -2.05 116.97 117.07 1kpq h TYR 113 Ca -0.05 0.02 0.06 0.00 3.14 0.00 0.00 58.73 61.90 1kpq h TYR 113 Cb 1.45 0.18 -0.09 0.00 1.54 0.00 0.00 36.73 39.81 1kpq h TYR 113 CO 0.05 -0.21 -0.54 -0.07 -1.64 0.00 0.00 178.16 175.74 1kpq h LEU 114 N -0.18 -1.86 -1.00 2.82 -0.00 -1.92 0.88 115.31 114.07 1kpq h LEU 114 Ca 0.09 0.26 0.26 0.00 -0.00 0.00 0.00 57.88 58.49 1kpq h LEU 114 Cb 0.31 0.78 -0.13 0.00 -0.00 0.00 0.00 40.66 41.62 1kpq h LEU 114 CO -0.23 -0.36 0.58 -0.74 -0.00 0.00 0.00 178.44 177.68 1kpq h HIS 115 N -0.30 0.97 -0.86 1.13 2.76 -1.57 1.40 115.15 118.69 1kpq h HIS 115 Ca 0.11 0.04 -0.40 0.00 -2.20 0.00 0.00 60.37 57.91 1kpq h HIS 115 Cb 0.56 -0.27 -0.24 0.00 1.55 0.00 0.00 27.41 29.01 1kpq h HIS 115 CO -0.78 0.01 0.51 -1.91 -1.30 0.00 0.00 177.93 174.46 1kpq n GLU 116 N -4.93 2.59 -4.89 5.26 2.13 0.24 -4.88 120.64 116.17 1kpq n GLU 116 Ca 0.27 -2.82 -0.33 0.00 0.66 0.00 0.00 57.16 54.95 1kpq n GLU 116 Cb 0.78 -2.12 -0.15 0.00 0.27 0.00 0.00 31.44 30.22 1kpq n GLU 116 CO 0.00 0.00 0.00 -0.46 -0.41 0.00 0.00 177.13 176.26 1kpq s TRP 117 N -2.99 2.75 -0.23 4.31 -0.00 0.48 -4.95 118.94 118.31 1kpq s TRP 117 Ca 0.53 -0.73 0.08 0.00 -0.00 0.00 0.00 56.10 55.98 1kpq s TRP 117 Cb 0.44 -1.81 0.26 0.00 -0.00 0.00 0.00 33.47 32.36 1kpq s TRP 117 CO 0.11 -0.25 1.18 0.36 -0.00 0.00 0.00 176.95 178.35 1kpq n LYS 118 N 3.50 0.87 0.00 5.86 0.00 -1.26 -4.91 118.16 122.22 1kpq n LYS 118 Ca -0.18 -0.83 0.00 0.00 -0.00 0.00 0.00 58.31 57.30 1kpq n LYS 118 Cb 0.53 0.25 0.00 0.00 -0.00 0.00 0.00 35.03 35.81 1kpq n LYS 118 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1kpq n HIS 119 N -0.96 0.00 0.85 5.58 8.25 -1.26 -4.61 115.22 123.07 1kpq n HIS 119 Ca -0.12 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.45 1kpq n HIS 119 Cb 0.75 0.00 0.50 0.00 1.12 0.00 0.00 29.99 32.36 1kpq n HIS 119 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1kpq n PRO 120 N -0.40 0.10 -2.70 -0.41 -0.04 -1.26 -4.17 135.00 126.12 1kpq n PRO 120 Ca 0.00 0.11 -0.06 0.00 -0.04 0.00 0.00 63.50 63.51 1kpq n PRO 120 Cb 0.00 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.06 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 -1.43 1.26 -1.63 0.54 0.00 -1.26 -5.12 117.38 109.74 1kpq n GLN 121 Ca 0.07 -2.01 -0.59 0.00 0.00 0.00 0.00 57.00 54.47 1kpq n GLN 121 Cb 0.23 -0.22 -0.08 0.00 0.00 0.00 0.00 30.24 30.18 1kpq n GLN 121 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 1kpq n SER 122 N -0.74 1.18 -3.32 2.61 3.41 -1.26 -4.72 113.62 110.78 1kpq n SER 122 Ca -0.04 1.14 0.01 0.00 -0.26 0.00 0.00 58.87 59.72 1kpq n SER 122 Cb 0.85 -1.02 0.01 0.00 -0.26 0.00 0.00 64.21 63.80 1kpq n SER 122 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1kpq n ASP 123 N 3.19 -1.13 -0.27 4.04 8.00 -1.26 -4.85 116.55 124.28 1kpq n ASP 123 Ca 0.24 -1.34 0.08 0.00 0.71 0.00 0.00 54.79 54.48 1kpq n ASP 123 Cb 0.08 1.77 0.21 0.00 -0.02 0.00 0.00 41.12 43.16 1kpq n ASP 123 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1kpq h LEU 124 N 0.00 0.03 -0.12 0.64 3.38 -1.97 0.19 115.31 117.46 1kpq h LEU 124 Ca -0.19 0.16 0.02 0.00 0.09 0.00 0.00 57.88 57.95 1kpq h LEU 124 Cb 1.01 0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.94 1kpq h LEU 124 CO 0.28 -0.06 -0.20 -0.07 0.09 0.00 0.00 178.44 178.47 1kpq h LEU 125 N 0.27 -0.67 -1.07 1.67 -0.00 -1.92 0.33 115.31 113.91 1kpq h LEU 125 Ca 0.46 0.09 0.13 0.00 -0.00 0.00 0.00 57.88 58.55 1kpq h LEU 125 Cb 0.82 0.27 -0.08 0.00 -0.00 0.00 0.00 40.66 41.67 1kpq h LEU 125 CO -0.55 -0.16 0.62 1.23 -0.00 0.00 0.00 178.44 179.59 1kpq h GLY 126 N -0.16 1.56 0.23 0.83 0.00 -1.56 -1.30 103.07 102.66 1kpq h GLY 126 Ca 0.02 -0.40 -0.00 0.00 0.00 0.00 0.00 47.33 46.96 1kpq h GLY 126 CO -0.20 0.13 -0.37 1.41 0.00 0.00 0.00 176.54 177.51 1kpq h LEU 127 N 0.92 -1.06 -1.80 3.11 3.38 0.12 0.20 115.31 120.18 1kpq h LEU 127 Ca 0.49 0.10 0.22 0.00 0.09 0.00 0.00 57.88 58.78 1kpq h LEU 127 Cb 0.56 0.37 -0.05 0.00 0.09 0.00 0.00 40.66 41.63 1kpq h LEU 127 CO -0.26 -0.44 0.59 0.40 0.09 0.00 0.00 178.44 178.82 1kpq h ILE 128 N -0.64 0.63 0.23 1.22 5.03 0.04 -0.72 117.51 123.30 1kpq h ILE 128 Ca -0.03 -0.06 0.01 0.00 -0.12 0.00 0.00 64.86 64.67 1kpq h ILE 128 Cb 0.59 0.45 -0.03 0.00 -3.03 0.00 0.00 36.82 34.79 1kpq h ILE 128 CO -0.12 0.03 -0.39 -0.61 -0.68 0.00 0.00 178.15 176.38 1kpq h GLN 129 N 0.16 -0.67 -0.96 2.37 5.75 0.17 0.34 115.11 122.28 1kpq h GLN 129 Ca 0.42 0.05 0.13 0.00 -0.15 0.00 0.00 58.65 59.09 1kpq h GLN 129 Cb 1.40 0.15 -0.09 0.00 1.07 0.00 0.00 27.48 30.02 1kpq h GLN 129 CO -0.08 -0.44 0.58 -0.24 -2.65 0.00 0.00 178.83 176.00 1kpq h VAL 130 N -0.69 0.88 0.00 2.39 3.04 -0.30 0.46 116.25 122.02 1kpq h VAL 130 Ca 0.00 -0.31 -0.03 0.00 -1.01 0.00 0.00 66.70 65.35 1kpq h VAL 130 Cb 0.67 -0.10 -0.00 0.00 -2.01 0.00 0.00 31.29 29.85 1kpq h VAL 130 CO -0.16 0.16 -0.16 0.24 -1.01 0.00 0.00 177.57 176.65 1kpq h MET 131 N 0.90 0.00 -0.03 4.17 2.86 -0.86 1.14 114.93 123.11 1kpq h MET 131 Ca 0.49 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.93 1kpq h MET 131 Cb 0.53 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.18 1kpq h MET 131 CO -0.28 0.16 -0.80 0.82 1.06 0.00 0.00 176.91 177.86 1kpq h ILE 132 N 0.00 1.43 0.00 -1.22 2.04 0.38 -2.60 117.51 117.54 1kpq h ILE 132 Ca -0.00 -2.35 0.00 0.00 1.00 0.00 0.00 64.86 63.51 1kpq h ILE 132 Cb 0.44 2.28 0.00 0.00 -0.74 0.00 0.00 36.82 38.80 1kpq h ILE 132 CO 0.02 0.69 -0.43 0.58 0.00 0.00 0.00 178.15 179.01 1kpq h VAL 133 N 0.19 0.00 -1.00 1.67 2.07 -0.53 -1.18 116.25 117.48 1kpq h VAL 133 Ca -0.04 -0.99 0.21 0.00 0.82 0.00 0.00 66.70 66.70 1kpq h VAL 133 Cb 1.40 0.00 -0.19 0.00 -1.52 0.00 0.00 31.29 30.98 1kpq h VAL 133 CO 0.13 0.00 -0.20 0.52 0.02 0.00 0.00 177.57 178.04 1kpq n VAL 134 N -4.62 -0.42 0.08 2.57 0.31 0.39 0.12 118.33 116.76 1kpq n VAL 134 Ca -0.06 2.27 -0.12 0.00 -0.01 0.00 0.00 64.34 66.42 1kpq n VAL 134 Cb 0.22 -3.17 -0.13 0.00 -0.91 0.00 0.00 33.84 29.85 1kpq n VAL 134 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 1kpq h PHE 135 N 0.00 0.26 0.00 3.52 0.04 -1.63 -3.17 116.94 115.96 1kpq h PHE 135 Ca 0.50 -0.19 0.00 0.00 2.80 0.00 0.00 57.97 61.09 1kpq h PHE 135 Cb 0.83 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.97 1kpq h PHE 135 CO -0.72 1.15 0.00 0.41 -0.60 0.00 0.00 178.31 178.55 1kpq n GLY 136 N 1.45 -0.97 0.11 -1.45 0.00 0.32 -1.95 105.19 102.70 1kpq n GLY 136 Ca -0.05 0.16 -0.21 0.00 0.00 0.00 0.00 46.02 45.92 1kpq n GLY 136 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1kpq h ASP 137 N 0.00 0.15 -3.69 1.61 3.32 -0.29 -3.46 116.42 114.07 1kpq h ASP 137 Ca 0.00 -0.69 0.13 0.00 0.02 0.00 0.00 57.03 56.49 1kpq h ASP 137 Cb 0.11 -0.05 -0.25 0.00 0.22 0.00 0.00 39.33 39.36 1kpq h ASP 137 CO 0.00 1.55 0.67 -0.70 -1.72 0.00 0.00 179.24 179.04 1kpq s GLU 138 N -2.41 0.41 -0.33 3.56 2.12 -0.82 -5.06 118.70 116.16 1kpq s GLU 138 Ca -0.25 0.13 -0.29 0.00 0.36 0.00 0.00 54.97 54.92 1kpq s GLU 138 Cb 0.05 0.20 0.00 0.00 0.26 0.00 0.00 34.13 34.64 1kpq s GLU 138 CO 0.67 -0.12 1.37 -1.25 -0.54 0.00 0.00 175.26 175.38 1kpq s PRO 139 N -0.95 3.78 0.20 4.30 0.04 -1.26 -4.38 135.00 136.73 1kpq s PRO 139 Ca 0.02 1.18 0.24 0.00 0.04 0.00 0.00 61.00 62.48 1kpq s PRO 139 Cb -0.01 -3.94 0.91 0.00 0.04 0.00 0.00 34.50 31.49 1kpq s PRO 139 CO -0.02 -1.29 1.74 -0.35 0.04 0.00 0.00 177.00 177.11 1kpq n PRO 140 N 7.61 0.19 0.27 0.56 -0.04 -1.26 -2.66 135.00 139.68 1kpq n PRO 140 Ca 0.16 0.29 0.18 0.00 -0.04 0.00 0.00 63.50 64.09 1kpq n PRO 140 Cb 0.47 -1.78 0.91 0.00 -0.04 0.00 0.00 33.50 33.06 1kpq n PRO 140 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1kpq h VAL 141 N 0.00 0.00 -5.17 0.52 2.07 -1.89 -2.90 116.25 108.88 1kpq h VAL 141 Ca 0.00 -0.15 -0.54 0.00 0.82 0.00 0.00 66.70 66.83 1kpq h VAL 141 Cb 0.52 1.03 -0.08 0.00 -1.52 0.00 0.00 31.29 31.24 1kpq h VAL 141 CO 0.00 0.00 -0.34 0.33 0.02 0.00 0.00 177.57 177.58 1kpq n PHE 142 N -2.86 0.35 -3.28 1.57 7.35 -1.09 -3.49 117.46 116.02 1kpq n PHE 142 Ca -0.01 -2.08 -0.36 0.00 -0.76 0.00 0.00 57.45 54.24 1kpq n PHE 142 Cb 0.14 -0.32 -0.04 0.00 0.35 0.00 0.00 39.48 39.61 1kpq n PHE 142 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1kpq n SER 143 N -1.49 5.06 -3.74 -2.13 2.88 -1.26 -4.19 113.62 108.75 1kpq n SER 143 Ca -0.12 -3.37 -0.26 0.00 -1.33 0.00 0.00 58.87 53.80 1kpq n SER 143 Cb 0.54 -1.02 -0.17 0.00 -0.75 0.00 0.00 64.21 62.81 1kpq n SER 143 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1kpq s ARG 144 N -2.39 0.60 0.00 -1.46 0.52 -1.26 -5.15 118.95 109.80 1kpq s ARG 144 Ca 0.34 -0.20 0.24 0.00 -0.52 0.00 0.00 55.73 55.58 1kpq s ARG 144 Cb 0.06 -1.68 1.44 0.00 0.52 0.00 0.00 34.95 35.29 1kpq s ARG 144 CO 0.02 -0.52 1.80 -0.35 0.02 0.00 0.00 175.30 176.27