#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kpq n VAL 3 N 0.00 3.27 0.00 0.00 0.31 -1.26 -4.89 118.33 115.76 1kpq n VAL 3 Ca 0.00 -1.93 0.00 0.00 -0.01 0.00 0.00 64.34 62.40 1kpq n VAL 3 Cb 0.00 -2.01 0.00 0.00 -0.91 0.00 0.00 33.84 30.92 1kpq n VAL 3 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1kpq n SER 4 N 2.36 0.00 -0.27 4.52 2.88 -1.26 -3.55 113.62 118.30 1kpq n SER 4 Ca 0.49 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 58.15 1kpq n SER 4 Cb 0.76 0.00 0.38 0.00 -0.75 0.00 0.00 64.21 64.61 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 0.66 -0.91 -1.46 5.08 -1.99 0.63 114.58 116.58 1kpq h GLU 5 Ca 0.00 -0.04 0.21 0.00 -1.00 0.00 0.00 59.36 58.53 1kpq h GLU 5 Cb 0.00 -0.15 -0.12 0.00 0.50 0.00 0.00 28.75 28.98 1kpq h GLU 5 CO 0.00 0.43 0.45 0.77 -1.00 0.00 0.00 179.01 179.66 1kpq h SER 6 N 0.68 0.45 -0.22 1.42 0.02 -1.99 0.30 113.55 114.20 1kpq h SER 6 Ca 0.46 0.14 -0.12 0.00 -0.84 0.00 0.00 61.79 61.43 1kpq h SER 6 Cb 0.77 0.09 -0.00 0.00 0.14 0.00 0.00 62.40 63.40 1kpq h SER 6 CO -0.22 0.07 -0.34 -0.61 -1.14 0.00 0.00 176.83 174.60 1kpq h GLN 7 N 0.49 0.61 -0.79 3.45 5.75 -0.93 -0.19 115.11 123.50 1kpq h GLN 7 Ca 0.56 -0.37 0.10 0.00 -0.15 0.00 0.00 58.65 58.79 1kpq h GLN 7 Cb 1.01 0.03 -0.05 0.00 1.07 0.00 0.00 27.48 29.54 1kpq h GLN 7 CO -0.48 0.98 0.52 -0.07 -2.65 0.00 0.00 178.83 177.12 1kpq h LEU 8 N 0.30 0.64 -0.12 -2.39 4.07 -0.30 0.79 115.31 118.30 1kpq h LEU 8 Ca 0.02 0.02 -0.19 0.00 0.08 0.00 0.00 57.88 57.81 1kpq h LEU 8 Cb 0.92 -0.11 -0.03 0.00 1.08 0.00 0.00 40.66 42.52 1kpq h LEU 8 CO 0.08 0.37 -0.89 0.11 -1.08 0.00 0.00 178.44 177.03 1kpq h LYS 9 N 0.70 0.00 -0.11 1.13 1.57 -0.42 -2.58 116.57 116.86 1kpq h LYS 9 Ca 0.37 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 59.10 1kpq h LYS 9 Cb 0.48 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.79 1kpq h LYS 9 CO -0.14 0.89 -0.14 -0.22 -0.57 0.00 0.00 179.45 179.27 1kpq h LYS 10 N 0.00 0.28 -0.54 3.15 1.63 0.13 0.50 116.57 121.71 1kpq h LYS 10 Ca -0.01 -0.16 -0.03 0.00 -0.85 0.00 0.00 60.65 59.60 1kpq h LYS 10 Cb 1.63 0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 33.24 1kpq h LYS 10 CO 0.12 0.72 0.21 0.00 -3.45 0.00 0.00 179.45 177.05 1kpq h MET 11 N -0.14 0.78 -0.01 1.90 -0.00 0.37 -0.62 114.93 117.21 1kpq h MET 11 Ca 0.01 -0.12 0.00 0.00 -0.00 0.00 0.00 59.70 59.59 1kpq h MET 11 Cb 0.69 -0.14 0.00 0.00 -0.00 0.00 0.00 31.60 32.15 1kpq h MET 11 CO 0.03 0.65 -0.19 1.33 -0.00 0.00 0.00 176.91 178.73 1kpq n VAL 12 N -4.33 0.00 -0.12 -0.10 0.24 -0.97 -3.89 118.33 109.16 1kpq n VAL 12 Ca 0.04 -0.16 0.00 0.00 -2.04 0.00 0.00 64.34 62.19 1kpq n VAL 12 Cb 0.16 0.42 0.27 0.00 -1.47 0.00 0.00 33.84 33.22 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 1.50 0.70 0.55 -1.34 0.87 0.17 -2.21 113.55 113.78 1kpq h SER 13 Ca 0.00 -0.07 -0.29 0.00 -1.23 0.00 0.00 61.79 60.21 1kpq h SER 13 Cb 0.50 -0.18 0.01 0.00 -0.44 0.00 0.00 62.40 62.30 1kpq h SER 13 CO 0.00 0.60 -1.28 0.11 -0.53 0.00 0.00 176.83 175.73 1kpq h LYS 14 N 0.79 0.33 -6.01 2.24 1.79 -1.67 -3.45 116.57 110.58 1kpq h LYS 14 Ca 0.20 -0.56 -0.67 0.00 -2.18 0.00 0.00 60.65 57.44 1kpq h LYS 14 Cb 0.08 0.21 -0.01 0.00 -1.58 0.00 0.00 32.23 30.93 1kpq h LYS 14 CO -0.03 1.26 1.37 0.66 -1.08 0.00 0.00 179.45 181.64 1kpq n TYR 15 N -3.58 1.68 -0.10 -1.35 4.02 -0.83 -4.84 117.16 112.16 1kpq n TYR 15 Ca -0.10 0.27 -0.08 0.00 -0.01 0.00 0.00 57.90 57.98 1kpq n TYR 15 Cb 1.03 -2.54 -0.06 0.00 -0.02 0.00 0.00 39.34 37.76 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 11.95 -0.21 -2.26 -0.72 3.64 -1.83 -0.23 116.57 126.90 1kpq h LYS 16 Ca -0.30 0.01 -0.32 0.00 -1.27 0.00 0.00 60.65 58.78 1kpq h LYS 16 Cb 1.32 0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 33.14 1kpq h LYS 16 CO 1.01 -0.14 0.73 0.66 -2.27 0.00 0.00 179.45 179.44 1kpq n TYR 17 N -4.30 0.65 0.14 1.91 4.01 -1.23 -4.52 117.16 113.82 1kpq n TYR 17 Ca -0.02 -1.92 -0.14 0.00 -0.16 0.00 0.00 57.90 55.66 1kpq n TYR 17 Cb 0.20 -1.83 -0.08 0.00 -0.31 0.00 0.00 39.34 37.32 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 3.52 -0.30 -0.96 -0.72 1.12 -1.26 1.24 114.38 117.02 1kpq h ARG 18 Ca 0.37 0.02 0.20 0.00 -1.11 0.00 0.00 59.98 59.46 1kpq h ARG 18 Cb 1.19 0.07 -0.09 0.00 -0.01 0.00 0.00 29.97 31.13 1kpq h ARG 18 CO 0.64 -0.09 0.61 0.22 -3.11 0.00 0.00 179.97 178.25 1kpq h ASP 19 N -0.46 0.60 0.04 -3.80 1.82 -1.85 1.46 116.42 114.24 1kpq h ASP 19 Ca -0.03 0.07 -0.00 0.00 -0.39 0.00 0.00 57.03 56.67 1kpq h ASP 19 Cb 0.35 -0.04 0.00 0.00 0.68 0.00 0.00 39.33 40.32 1kpq h ASP 19 CO 0.05 0.23 -0.02 -0.07 -1.61 0.00 0.00 179.24 177.82 1kpq h LEU 20 N 0.59 -0.05 -0.82 2.28 -0.00 -1.81 -1.86 115.31 113.65 1kpq h LEU 20 Ca 0.52 -0.61 0.12 0.00 -0.00 0.00 0.00 57.88 57.91 1kpq h LEU 20 Cb 1.03 0.01 -0.08 0.00 -0.00 0.00 0.00 40.66 41.62 1kpq h LEU 20 CO -0.27 0.69 0.44 0.74 -0.00 0.00 0.00 178.44 180.04 1kpq h THR 21 N -0.91 0.82 -0.59 0.22 2.02 0.26 0.19 112.91 114.93 1kpq h THR 21 Ca -0.01 -0.24 -0.10 0.00 0.77 0.00 0.00 66.41 66.83 1kpq h THR 21 Cb 0.65 0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 67.11 1kpq h THR 21 CO 0.01 0.13 -0.03 0.58 0.37 0.00 0.00 175.52 176.57 1kpq h VAL 22 N 0.69 1.27 0.19 3.16 2.07 0.19 0.45 116.25 124.28 1kpq h VAL 22 Ca 0.42 -1.19 -0.01 0.00 0.82 0.00 0.00 66.70 66.74 1kpq h VAL 22 Cb 0.49 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 1kpq h VAL 22 CO -0.30 0.43 -0.10 -0.09 0.02 0.00 0.00 177.57 177.53 1kpq h ARG 23 N 0.96 -0.27 -0.27 1.57 2.43 -0.07 0.53 114.38 119.26 1kpq h ARG 23 Ca 0.16 0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.25 1kpq h ARG 23 Cb 0.60 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.19 1kpq h ARG 23 CO 0.04 -0.18 -0.28 0.93 -1.51 0.00 0.00 179.97 178.97 1kpq h GLU 24 N -0.28 0.54 -0.44 0.20 3.07 -0.63 0.23 114.58 117.28 1kpq h GLU 24 Ca -0.02 -0.22 -0.04 0.00 -0.50 0.00 0.00 59.36 58.57 1kpq h GLU 24 Cb 0.22 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.09 1kpq h GLU 24 CO 0.04 0.77 0.11 1.15 -1.40 0.00 0.00 179.01 179.68 1kpq h THR 25 N 0.47 1.23 -0.19 1.13 2.02 0.33 1.05 112.91 118.95 1kpq h THR 25 Ca 0.06 -0.79 -0.15 0.00 0.77 0.00 0.00 66.41 66.30 1kpq h THR 25 Cb 0.73 0.91 0.00 0.00 -1.74 0.00 0.00 68.15 68.05 1kpq h THR 25 CO 0.06 0.28 -0.47 1.62 0.37 0.00 0.00 175.52 177.37 1kpq h VAL 26 N 0.58 1.32 -0.01 3.16 3.04 0.23 -2.47 116.25 122.10 1kpq h VAL 26 Ca 0.14 -1.71 -0.00 0.00 -1.01 0.00 0.00 66.70 64.12 1kpq h VAL 26 Cb 0.31 1.92 -0.00 0.00 -2.01 0.00 0.00 31.29 31.50 1kpq h VAL 26 CO 0.00 0.53 0.00 0.78 -1.01 0.00 0.00 177.57 177.88 1kpq h ASN 27 N 0.33 0.01 0.00 3.17 2.35 -0.40 -0.09 115.58 120.95 1kpq h ASN 27 Ca -0.01 -0.20 0.00 0.00 -0.55 0.00 0.00 56.30 55.54 1kpq h ASN 27 Cb 1.09 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.45 1kpq h ASN 27 CO 0.10 0.21 0.00 0.52 -1.65 0.00 0.00 177.43 176.61 1kpq n VAL 28 N -4.99 0.00 -0.27 2.81 0.31 0.36 0.23 118.33 116.78 1kpq n VAL 28 Ca -0.07 1.43 -0.03 0.00 -0.01 0.00 0.00 64.34 65.65 1kpq n VAL 28 Cb 0.12 -2.17 0.02 0.00 -0.91 0.00 0.00 33.84 30.90 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 0.11 -0.84 2.52 3.07 -1.49 0.76 117.51 121.64 1kpq h ILE 29 Ca 0.00 0.00 0.12 0.00 1.55 0.00 0.00 64.86 66.53 1kpq h ILE 29 Cb 0.00 0.11 -0.08 0.00 -0.27 0.00 0.00 36.82 36.57 1kpq h ILE 29 CO 0.00 0.00 0.46 0.74 -1.05 0.00 0.00 178.15 178.30 1kpq h THR 30 N -0.10 0.83 -0.78 0.16 2.02 -0.46 0.46 112.91 115.04 1kpq h THR 30 Ca 0.28 -0.25 0.13 0.00 0.77 0.00 0.00 66.41 67.34 1kpq h THR 30 Cb 0.57 0.04 -0.09 0.00 -1.74 0.00 0.00 68.15 66.93 1kpq h THR 30 CO -0.80 0.13 0.36 0.25 0.37 0.00 0.00 175.52 175.83 1kpq h LEU 31 N 0.73 0.41 0.00 2.58 7.12 0.95 -3.42 115.31 123.67 1kpq h LEU 31 Ca 0.43 0.09 -0.28 0.00 0.13 0.00 0.00 57.88 58.25 1kpq h LEU 31 Cb 0.49 0.03 -0.00 0.00 -0.53 0.00 0.00 40.66 40.65 1kpq h LEU 31 CO -0.30 0.18 -0.08 -1.22 -0.13 0.00 0.00 178.44 176.90 1kpq n TYR 32 N -4.92 -1.94 -2.75 1.25 4.01 0.15 -5.07 117.16 107.88 1kpq n TYR 32 Ca 0.14 -1.18 -0.10 0.00 -0.16 0.00 0.00 57.90 56.60 1kpq n TYR 32 Cb 0.39 -0.27 0.02 0.00 -0.31 0.00 0.00 39.34 39.17 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 -1.47 1.11 0.00 -0.72 4.76 -1.26 -4.84 118.16 115.74 1kpq n LYS 33 Ca 0.05 -3.20 0.00 0.00 -2.87 0.00 0.00 58.31 52.29 1kpq n LYS 33 Cb 0.33 -1.26 0.00 0.00 -1.84 0.00 0.00 35.03 32.25 1kpq n LYS 33 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1kpq n ASP 34 N -0.02 0.00 -4.46 4.39 8.00 -1.26 -5.06 116.55 118.14 1kpq n ASP 34 Ca 0.11 0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.33 1kpq n ASP 34 Cb 0.79 0.00 -0.12 0.00 -0.02 0.00 0.00 41.12 41.78 1kpq n ASP 34 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1kpq s LEU 35 N 0.00 2.56 -0.18 0.64 1.02 -1.26 -1.36 118.68 120.10 1kpq s LEU 35 Ca 0.00 -0.71 -0.04 0.00 0.02 0.00 0.00 54.13 53.40 1kpq s LEU 35 Cb 0.00 -1.36 0.07 0.00 0.02 0.00 0.00 46.19 44.92 1kpq s LEU 35 CO 0.00 0.15 0.15 -0.54 0.02 0.00 0.00 176.35 176.13 1kpq s LYS 36 N -2.40 0.12 0.16 1.70 -0.14 0.20 -4.96 119.74 114.42 1kpq s LYS 36 Ca 0.19 0.08 -0.30 0.00 -1.36 0.00 0.00 55.97 54.58 1kpq s LYS 36 Cb -0.09 -1.47 -0.07 0.00 -1.68 0.00 0.00 37.83 34.51 1kpq s LYS 36 CO 0.10 -0.65 1.11 -1.25 -0.76 0.00 0.00 175.35 173.90 1kpq s PRO 37 N 2.23 4.57 0.30 -1.68 0.04 -1.26 -2.50 135.00 136.70 1kpq s PRO 37 Ca 0.04 1.72 0.10 0.00 0.04 0.00 0.00 61.00 62.90 1kpq s PRO 37 Cb -0.16 -3.29 -0.06 0.00 0.04 0.00 0.00 34.50 31.04 1kpq s PRO 37 CO -0.10 0.03 -0.13 0.08 0.04 0.00 0.00 177.00 176.91 1kpq s VAL 38 N -0.04 2.22 -0.20 -0.36 1.01 0.69 -4.59 120.40 119.13 1kpq s VAL 38 Ca 0.51 -2.27 -0.04 0.00 0.00 0.00 0.00 61.98 60.17 1kpq s VAL 38 Cb -0.29 -2.45 0.07 0.00 0.00 0.00 0.00 36.38 33.71 1kpq s VAL 38 CO 0.34 -0.32 0.07 -0.22 0.00 0.00 0.00 175.10 174.98 1kpq s LEU 39 N -3.53 0.81 -0.05 3.92 1.98 -1.26 -1.52 118.68 119.02 1kpq s LEU 39 Ca 0.30 -0.84 0.03 0.00 -2.89 0.00 0.00 54.13 50.73 1kpq s LEU 39 Cb -0.00 -0.43 0.01 0.00 0.66 0.00 0.00 46.19 46.42 1kpq s LEU 39 CO 0.15 -0.35 -0.14 -0.62 -1.89 0.00 0.00 176.35 173.50 1kpq s ASP 40 N 1.99 1.89 0.07 3.68 -1.08 0.21 -4.99 116.67 118.44 1kpq s ASP 40 Ca 0.02 -0.32 0.03 0.00 -0.52 0.00 0.00 52.55 51.77 1kpq s ASP 40 Cb -0.16 -0.72 -0.04 0.00 -1.46 0.00 0.00 42.92 40.54 1kpq s ASP 40 CO -0.13 0.08 0.03 -0.94 0.52 0.00 0.00 175.17 174.73 1kpq s SER 41 N 0.39 5.24 -0.11 -0.34 1.04 -1.26 -1.93 113.70 116.73 1kpq s SER 41 Ca -0.10 -0.07 -0.01 0.00 0.48 0.00 0.00 55.95 56.25 1kpq s SER 41 Cb -0.14 -1.34 0.03 0.00 0.10 0.00 0.00 66.02 64.67 1kpq s SER 41 CO 0.03 0.20 -0.05 -0.47 0.98 0.00 0.00 173.24 173.92 1kpq s TYR 42 N -1.29 1.29 0.11 5.02 5.04 -0.21 -4.94 117.35 122.37 1kpq s TYR 42 Ca 0.26 -0.62 -0.27 0.00 -2.44 0.00 0.00 57.07 54.00 1kpq s TYR 42 Cb -0.12 -1.13 -0.07 0.00 0.35 0.00 0.00 41.96 41.00 1kpq s TYR 42 CO 0.18 -0.48 0.83 0.54 -1.34 0.00 0.00 175.55 175.29 1kpq s VAL 43 N 1.77 4.52 -0.36 3.14 0.11 -1.26 -2.41 120.40 125.90 1kpq s VAL 43 Ca 0.05 1.80 0.04 0.00 -2.93 0.00 0.00 61.98 60.94 1kpq s VAL 43 Cb -0.13 -4.19 0.40 0.00 -1.53 0.00 0.00 36.38 30.93 1kpq s VAL 43 CO -0.07 0.41 1.40 0.49 -3.33 0.00 0.00 175.10 173.99 1kpq n PHE 44 N 2.37 1.53 -2.84 1.54 3.01 -0.91 -4.84 117.46 117.32 1kpq n PHE 44 Ca -0.02 -0.96 -0.09 0.00 1.01 0.00 0.00 57.45 57.39 1kpq n PHE 44 Cb 0.49 -0.53 -0.02 0.00 -0.01 0.00 0.00 39.48 39.41 1kpq n PHE 44 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1kpq n ASN 45 N -0.15 -1.12 0.00 4.37 4.13 -1.26 -2.45 115.26 118.78 1kpq n ASN 45 Ca 0.27 0.09 0.00 0.00 1.68 0.00 0.00 54.58 56.62 1kpq n ASN 45 Cb 1.03 -1.07 0.00 0.00 -1.54 0.00 0.00 39.78 38.20 1kpq n ASN 45 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1kpq n ASP 46 N -1.60 0.00 -1.00 6.41 8.00 -1.26 -4.95 116.55 122.15 1kpq n ASP 46 Ca 0.03 0.00 0.03 0.00 0.71 0.00 0.00 54.79 55.55 1kpq n ASP 46 Cb 0.46 0.00 0.15 0.00 -0.02 0.00 0.00 41.12 41.71 1kpq n ASP 46 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1kpq n GLY 47 N 0.00 1.96 1.09 0.44 0.00 -1.03 -5.01 105.19 102.65 1kpq n GLY 47 Ca 0.00 -0.34 0.14 0.00 0.00 0.00 0.00 46.02 45.82 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 0.24 -6.53 -4.58 1.61 7.64 -1.26 -4.58 113.62 106.16 1kpq n SER 48 Ca 0.10 0.62 -0.43 0.00 1.01 0.00 0.00 58.87 60.17 1kpq n SER 48 Cb 0.59 -3.42 -0.04 0.00 -1.01 0.00 0.00 64.21 60.32 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 -6.31 6.58 -0.35 6.43 1.04 -1.26 -2.15 113.70 117.68 1kpq s SER 49 Ca 0.00 0.34 -0.15 0.00 0.48 0.00 0.00 55.95 56.62 1kpq s SER 49 Cb 0.00 -2.44 -0.01 0.00 0.10 0.00 0.00 66.02 63.67 1kpq s SER 49 CO 0.00 -0.89 0.33 -0.13 0.98 0.00 0.00 173.24 173.53 1kpq s ARG 50 N 3.46 3.51 -0.39 4.02 0.52 -1.01 -4.93 118.95 124.13 1kpq s ARG 50 Ca 0.36 -0.50 -0.26 0.00 -0.52 0.00 0.00 55.73 54.80 1kpq s ARG 50 Cb -0.12 -3.82 0.02 0.00 0.52 0.00 0.00 34.95 31.56 1kpq s ARG 50 CO 0.21 -0.52 0.96 -2.00 0.02 0.00 0.00 175.30 173.96 1kpq s GLU 51 N 1.94 3.81 0.10 3.54 2.12 -1.26 -1.05 118.70 127.90 1kpq s GLU 51 Ca 0.10 0.56 0.10 0.00 0.36 0.00 0.00 54.97 56.10 1kpq s GLU 51 Cb -0.17 -3.82 -0.04 0.00 0.26 0.00 0.00 34.13 30.36 1kpq s GLU 51 CO 0.11 -1.02 -0.26 -0.51 -0.54 0.00 0.00 175.26 173.04 1kpq s LEU 52 N 3.63 2.29 -0.10 2.70 2.01 -0.81 -4.96 118.68 123.44 1kpq s LEU 52 Ca 0.40 -0.68 0.02 0.00 0.01 0.00 0.00 54.13 53.87 1kpq s LEU 52 Cb -0.11 -1.26 -0.02 0.00 0.01 0.00 0.00 46.19 44.81 1kpq s LEU 52 CO 0.21 0.21 -0.16 0.00 1.01 0.00 0.00 176.35 177.61 1kpq s MET 53 N -1.78 3.04 0.03 1.70 0.23 -1.26 -0.62 119.30 120.64 1kpq s MET 53 Ca 0.13 -0.74 0.08 0.00 -1.03 0.00 0.00 55.69 54.13 1kpq s MET 53 Cb -0.10 -2.48 -0.03 0.00 -1.53 0.00 0.00 34.83 30.69 1kpq s MET 53 CO 0.05 0.33 -0.21 0.54 -2.03 0.00 0.00 175.02 173.69 1kpq s ASN 54 N 0.03 3.55 -0.28 -1.18 2.20 -0.57 -1.82 114.94 116.86 1kpq s ASN 54 Ca -0.06 -0.47 -0.06 0.00 -0.94 0.00 0.00 52.86 51.33 1kpq s ASN 54 Cb -0.15 -0.50 0.01 0.00 -2.00 0.00 0.00 41.25 38.61 1kpq s ASN 54 CO 0.05 0.27 0.06 -0.76 -2.94 0.00 0.00 177.10 173.77 1kpq s LEU 55 N -1.27 3.66 0.02 3.54 1.43 0.24 -0.22 118.68 126.08 1kpq s LEU 55 Ca 0.13 -0.65 0.08 0.00 -1.03 0.00 0.00 54.13 52.66 1kpq s LEU 55 Cb -0.10 -1.85 -0.02 0.00 0.03 0.00 0.00 46.19 44.24 1kpq s LEU 55 CO 0.03 -0.15 -0.23 0.28 0.23 0.00 0.00 176.35 176.50 1kpq s THR 56 N 1.49 1.88 -0.01 5.49 -1.32 -1.04 -0.46 115.64 121.67 1kpq s THR 56 Ca 0.03 -1.17 -0.30 0.00 -1.21 0.00 0.00 61.69 59.04 1kpq s THR 56 Cb -0.17 -1.59 0.12 0.00 -1.51 0.00 0.00 72.50 69.35 1kpq s THR 56 CO 0.01 0.38 1.28 -0.83 -2.21 0.00 0.00 174.62 173.26 1kpq s GLY 57 N -0.94 -0.39 -0.19 6.08 0.00 -0.85 0.60 107.32 111.63 1kpq s GLY 57 Ca 0.09 0.64 0.01 0.00 0.00 0.00 0.00 44.72 45.47 1kpq s GLY 57 CO 0.01 0.47 -0.17 -0.51 0.00 0.00 0.00 173.10 172.90 1kpq s THR 58 N -2.41 1.97 0.22 0.90 -4.23 -0.47 -0.87 115.64 110.76 1kpq s THR 58 Ca 0.15 -0.99 -0.07 0.00 -1.18 0.00 0.00 61.69 59.59 1kpq s THR 58 Cb 0.04 -1.85 -0.06 0.00 1.34 0.00 0.00 72.50 71.97 1kpq s THR 58 CO -0.04 0.42 0.51 0.27 -0.54 0.00 0.00 174.62 175.24 1kpq s ILE 59 N 1.30 5.01 0.42 2.99 -4.36 -0.78 -4.57 121.20 121.22 1kpq s ILE 59 Ca 0.03 0.28 -0.23 0.00 -0.26 0.00 0.00 60.65 60.47 1kpq s ILE 59 Cb -0.14 -3.64 -0.09 0.00 1.25 0.00 0.00 42.46 39.84 1kpq s ILE 59 CO -0.11 -0.09 1.04 -2.16 0.24 0.00 0.00 174.94 173.86 1kpq s PRO 60 N -2.93 4.07 -0.23 0.37 0.04 -1.25 -2.07 135.00 133.00 1kpq s PRO 60 Ca 0.45 1.46 -0.03 0.00 0.04 0.00 0.00 61.00 62.93 1kpq s PRO 60 Cb -0.11 -2.42 0.12 0.00 0.04 0.00 0.00 34.50 32.13 1kpq s PRO 60 CO 0.24 -0.22 0.34 0.08 0.04 0.00 0.00 177.00 177.48 1kpq s VAL 61 N -1.75 -0.54 -0.81 -0.36 1.01 0.71 -4.90 120.40 113.76 1kpq s VAL 61 Ca 0.60 -0.08 -0.25 0.00 0.00 0.00 0.00 61.98 62.25 1kpq s VAL 61 Cb -0.20 -0.78 0.00 0.00 0.00 0.00 0.00 36.38 35.40 1kpq s VAL 61 CO 0.25 -0.14 1.64 -2.16 0.00 0.00 0.00 175.10 174.69 1kpq s PRO 62 N 2.49 2.97 -1.14 2.72 0.04 -1.25 0.37 135.00 141.20 1kpq s PRO 62 Ca 0.11 -0.21 -0.16 0.00 0.04 0.00 0.00 61.00 60.79 1kpq s PRO 62 Cb -0.16 -4.71 0.15 0.00 0.04 0.00 0.00 34.50 29.82 1kpq s PRO 62 CO -0.15 -2.62 1.38 -0.47 0.04 0.00 0.00 177.00 175.18 1kpq s TYR 63 N 7.56 3.32 0.00 0.56 5.04 0.28 -4.33 117.35 129.77 1kpq s TYR 63 Ca 0.55 -1.87 0.00 0.00 -2.44 0.00 0.00 57.07 53.31 1kpq s TYR 63 Cb -0.07 -4.35 0.00 0.00 0.35 0.00 0.00 41.96 37.89 1kpq s TYR 63 CO 0.07 -1.47 0.00 0.54 -1.34 0.00 0.00 175.55 173.36 1kpq n ARG 64 N 6.18 0.00 0.00 4.97 5.12 -1.26 -3.52 116.66 128.15 1kpq n ARG 64 Ca 0.34 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.26 1kpq n ARG 64 Cb 0.45 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.75 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 0.32 3.82 -0.13 0.00 -1.26 -5.14 105.19 102.79 1kpq n GLY 65 Ca 0.00 -0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 0.00 6.39 -0.30 1.61 -0.87 -1.23 -4.94 114.94 115.60 1kpq s ASN 66 Ca 0.00 1.72 -0.18 0.00 -1.57 0.00 0.00 52.86 52.84 1kpq s ASN 66 Cb 0.00 -2.53 -0.02 0.00 -0.02 0.00 0.00 41.25 38.68 1kpq s ASN 66 CO 0.00 -0.75 0.51 -0.89 -2.57 0.00 0.00 177.10 173.40 1kpq s THR 67 N -2.38 5.05 0.07 1.60 2.01 -1.26 -0.56 115.64 120.17 1kpq s THR 67 Ca 0.62 0.67 0.01 0.00 0.31 0.00 0.00 61.69 63.30 1kpq s THR 67 Cb -0.13 -3.87 -0.04 0.00 0.01 0.00 0.00 72.50 68.47 1kpq s THR 67 CO 0.28 -0.03 0.16 -0.47 -0.69 0.00 0.00 174.62 173.87 1kpq s TYR 68 N 2.34 3.37 -0.58 4.92 6.14 0.16 -4.86 117.35 128.85 1kpq s TYR 68 Ca 0.20 0.17 0.04 0.00 0.64 0.00 0.00 57.07 58.12 1kpq s TYR 68 Cb -0.15 -1.69 0.14 0.00 0.42 0.00 0.00 41.96 40.67 1kpq s TYR 68 CO 0.11 0.56 0.33 -0.80 0.64 0.00 0.00 175.55 176.39 1kpq s ASN 69 N -2.50 4.47 -0.17 4.32 0.01 -1.26 -0.21 114.94 119.60 1kpq s ASN 69 Ca 0.33 -3.28 -0.25 0.00 -0.71 0.00 0.00 52.86 48.94 1kpq s ASN 69 Cb -0.13 -1.64 -0.01 0.00 0.41 0.00 0.00 41.25 39.88 1kpq s ASN 69 CO 0.25 -0.18 0.83 -0.63 -1.51 0.00 0.00 177.10 175.86 1kpq s ILE 70 N -0.66 4.88 0.61 0.60 1.01 -0.88 -4.81 121.20 121.95 1kpq s ILE 70 Ca 0.19 1.63 -0.15 0.00 0.00 0.00 0.00 60.65 62.33 1kpq s ILE 70 Cb -0.19 -4.14 -0.03 0.00 0.01 0.00 0.00 42.46 38.11 1kpq s ILE 70 CO -0.05 0.02 1.05 -2.16 0.00 0.00 0.00 174.94 173.80 1kpq s PRO 71 N 2.17 3.29 -0.25 2.79 0.04 -1.26 -1.86 135.00 139.93 1kpq s PRO 71 Ca 0.38 1.11 -0.17 0.00 0.04 0.00 0.00 61.00 62.36 1kpq s PRO 71 Cb -0.16 -2.03 0.07 0.00 0.04 0.00 0.00 34.50 32.41 1kpq s PRO 71 CO 0.12 -0.83 0.62 0.96 0.04 0.00 0.00 177.00 177.92 1kpq s ILE 72 N -2.63 -0.00 0.17 0.56 -5.25 -0.05 -4.57 121.20 109.44 1kpq s ILE 72 Ca 0.62 0.02 0.09 0.00 -0.99 0.00 0.00 60.65 60.38 1kpq s ILE 72 Cb -0.15 -0.89 -0.04 0.00 2.95 0.00 0.00 42.46 44.33 1kpq s ILE 72 CO 0.41 0.01 -0.11 0.00 -1.79 0.00 0.00 174.94 173.45 1kpq s LEU 74 N -2.71 0.01 -0.01 0.00 0.20 0.39 -1.85 118.68 114.72 1kpq s LEU 74 Ca 0.24 0.64 -0.07 0.00 0.69 0.00 0.00 54.13 55.62 1kpq s LEU 74 Cb -0.09 0.86 -0.05 0.00 -0.43 0.00 0.00 46.19 46.48 1kpq s LEU 74 CO 0.14 -0.20 0.27 0.26 -0.29 0.00 0.00 176.35 176.53 1kpq s TRP 75 N 1.78 3.59 0.54 5.38 0.52 0.60 0.79 118.94 132.14 1kpq s TRP 75 Ca -0.05 0.60 0.03 0.00 0.02 0.00 0.00 56.10 56.70 1kpq s TRP 75 Cb -0.11 -2.01 0.03 0.00 -1.15 0.00 0.00 33.47 30.23 1kpq s TRP 75 CO -0.09 0.63 0.25 -0.51 0.02 0.00 0.00 176.95 177.24 1kpq s LEU 76 N -1.63 2.47 0.00 2.99 2.01 -0.76 -1.92 118.68 121.85 1kpq s LEU 76 Ca 0.26 -1.45 0.05 0.00 0.01 0.00 0.00 54.13 53.00 1kpq s LEU 76 Cb -0.13 -0.96 -0.02 0.00 0.01 0.00 0.00 46.19 45.09 1kpq s LEU 76 CO 0.15 -1.06 0.31 0.00 1.01 0.00 0.00 176.35 176.76 1kpq n LEU 77 N -1.60 0.00 -0.04 1.79 -0.00 -1.26 -4.65 117.00 111.24 1kpq n LEU 77 Ca -0.10 -2.88 -0.05 0.00 -0.00 0.00 0.00 56.01 52.99 1kpq n LEU 77 Cb 0.65 1.78 -0.06 0.00 -0.00 0.00 0.00 43.42 45.79 1kpq n LEU 77 CO 0.38 -0.52 -0.78 0.47 -0.00 0.00 0.00 177.39 176.94 1kpq n ASP 78 N -1.75 3.05 0.00 1.45 9.92 -1.26 -4.86 116.55 123.10 1kpq n ASP 78 Ca 0.06 -0.01 0.00 0.00 -0.53 0.00 0.00 54.79 54.30 1kpq n ASP 78 Cb 0.56 0.52 0.00 0.00 -0.64 0.00 0.00 41.12 41.56 1kpq n ASP 78 CO 0.00 0.00 0.00 1.07 0.13 0.00 0.00 177.20 178.40 1kpq n THR 79 N -2.40 0.00 -3.84 -3.53 5.66 -1.26 -3.35 114.28 105.56 1kpq n THR 79 Ca -0.14 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.76 1kpq n THR 79 Cb 0.75 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.48 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 0.09 -0.06 1.09 1.13 -1.26 -4.17 117.35 114.17 1kpq s TYR 80 Ca 0.00 -0.45 -0.16 0.00 -1.41 0.00 0.00 57.07 55.06 1kpq s TYR 80 Cb 0.00 0.23 -0.11 0.00 -1.10 0.00 0.00 41.96 40.98 1kpq s TYR 80 CO 0.00 -0.86 0.61 -1.00 -2.51 0.00 0.00 175.55 171.79 1kpq h PRO 81 N 2.32 -0.24 -5.98 -3.49 0.13 -2.01 -3.47 132.00 119.26 1kpq h PRO 81 Ca -0.29 0.02 -0.51 0.00 -0.87 0.00 0.00 66.00 64.34 1kpq h PRO 81 Cb 1.25 0.05 -0.02 0.00 0.13 0.00 0.00 31.00 32.41 1kpq h PRO 81 CO 0.41 0.08 1.40 0.71 -0.23 0.00 0.00 178.00 180.36 1kpq s TYR 82 N -2.89 1.56 0.20 1.56 2.02 -1.26 -4.83 117.35 113.71 1kpq s TYR 82 Ca -0.09 0.89 -0.11 0.00 -0.37 0.00 0.00 57.07 57.39 1kpq s TYR 82 Cb 0.00 -3.99 0.15 0.00 -0.40 0.00 0.00 41.96 37.72 1kpq s TYR 82 CO 0.33 -2.57 1.85 -0.91 -1.57 0.00 0.00 175.55 172.68 1kpq h ASN 83 N 15.37 0.70 -3.80 2.29 4.21 -1.92 -3.42 115.58 129.01 1kpq h ASN 83 Ca -0.28 -0.01 -0.50 0.00 1.21 0.00 0.00 56.30 56.72 1kpq h ASN 83 Cb 1.19 -0.16 0.01 0.00 -1.12 0.00 0.00 38.32 38.24 1kpq h ASN 83 CO 1.15 0.49 0.46 -2.16 -1.29 0.00 0.00 177.43 176.08 1kpq s PRO 84 N -6.13 4.66 0.81 0.81 0.04 -1.26 -4.77 135.00 129.17 1kpq s PRO 84 Ca -0.13 1.76 -0.12 0.00 0.04 0.00 0.00 61.00 62.56 1kpq s PRO 84 Cb 0.14 -3.19 0.08 0.00 0.04 0.00 0.00 34.50 31.57 1kpq s PRO 84 CO 0.76 0.25 1.10 -1.25 0.04 0.00 0.00 177.00 177.90 1kpq s PRO 85 N -1.43 1.96 0.05 0.56 0.04 -1.26 -4.93 135.00 129.99 1kpq s PRO 85 Ca 0.44 0.58 0.01 0.00 0.04 0.00 0.00 61.00 62.08 1kpq s PRO 85 Cb -0.31 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.28 1kpq s PRO 85 CO 0.40 -1.69 0.11 0.42 0.04 0.00 0.00 177.00 176.27 1kpq s ILE 86 N -3.18 4.78 -0.06 0.56 1.09 -0.81 -4.94 121.20 118.64 1kpq s ILE 86 Ca 0.61 -0.57 0.04 0.00 -1.10 0.00 0.00 60.65 59.63 1kpq s ILE 86 Cb -0.14 -3.27 -0.00 0.00 -1.06 0.00 0.00 42.46 37.99 1kpq s ILE 86 CO 0.54 0.20 -0.19 0.00 -0.10 0.00 0.00 174.94 175.40 1kpq s PHE 88 N 0.16 -0.45 0.24 0.00 -0.71 -0.77 0.13 117.98 116.59 1kpq s PHE 88 Ca -0.08 0.77 -0.15 0.00 -1.04 0.00 0.00 56.93 56.44 1kpq s PHE 88 Cb -0.14 0.44 -0.08 0.00 -1.21 0.00 0.00 43.02 42.03 1kpq s PHE 88 CO 0.04 -0.41 0.65 0.54 -1.34 0.00 0.00 175.22 174.70 1kpq s VAL 89 N -1.09 4.75 -0.13 -2.49 0.11 0.39 0.67 120.40 122.62 1kpq s VAL 89 Ca -0.04 0.88 -0.19 0.00 -2.93 0.00 0.00 61.98 59.70 1kpq s VAL 89 Cb -0.00 -3.69 -0.04 0.00 -1.53 0.00 0.00 36.38 31.12 1kpq s VAL 89 CO 0.04 0.02 0.53 -1.59 -3.33 0.00 0.00 175.10 170.76 1kpq s LYS 90 N -2.51 4.32 0.38 1.54 0.00 -1.26 -4.66 119.74 117.55 1kpq s LYS 90 Ca 0.47 0.52 -0.25 0.00 0.00 0.00 0.00 55.97 56.70 1kpq s LYS 90 Cb -0.13 -3.47 -0.09 0.00 0.00 0.00 0.00 37.83 34.14 1kpq s LYS 90 CO 0.19 0.07 1.06 -1.25 0.00 0.00 0.00 175.35 175.43 1kpq s PRO 91 N 0.90 4.24 0.49 1.78 0.04 -1.26 -4.90 135.00 136.29 1kpq s PRO 91 Ca 0.28 1.58 0.01 0.00 0.04 0.00 0.00 61.00 62.91 1kpq s PRO 91 Cb -0.16 -2.67 0.01 0.00 0.04 0.00 0.00 34.50 31.73 1kpq s PRO 91 CO 0.11 -0.09 0.10 0.25 0.04 0.00 0.00 177.00 177.42 1kpq n THR 92 N 0.17 0.00 0.12 1.26 -2.24 -1.16 -5.06 114.28 107.38 1kpq n THR 92 Ca 0.04 -2.22 -0.22 0.00 -2.27 0.00 0.00 64.05 59.37 1kpq n THR 92 Cb 0.49 0.32 -0.15 0.00 -2.10 0.00 0.00 70.33 68.89 1kpq n THR 92 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1kpq h SER 93 N 1.02 0.70 0.00 3.42 4.64 -2.01 -3.39 113.55 117.93 1kpq h SER 93 Ca -0.38 -0.80 -0.12 0.00 -0.47 0.00 0.00 61.79 60.01 1kpq h SER 93 Cb 1.21 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 63.05 1kpq h SER 93 CO 0.63 1.64 -0.79 0.28 -0.87 0.00 0.00 176.83 177.72 1kpq h SER 94 N 0.12 0.00 -3.67 4.97 0.02 -1.99 -3.47 113.55 109.52 1kpq h SER 94 Ca -0.25 -0.41 -0.47 0.00 -0.84 0.00 0.00 61.79 59.82 1kpq h SER 94 Cb 2.12 0.00 0.06 0.00 0.14 0.00 0.00 62.40 64.71 1kpq h SER 94 CO 0.24 1.16 0.18 -0.04 -1.14 0.00 0.00 176.83 177.23 1kpq s MET 95 N -2.25 2.85 0.00 3.45 1.00 -1.26 -4.89 119.30 118.20 1kpq s MET 95 Ca -0.22 -0.02 0.00 0.00 0.00 0.00 0.00 55.69 55.45 1kpq s MET 95 Cb 0.03 -2.26 0.00 0.00 0.00 0.00 0.00 34.83 32.60 1kpq s MET 95 CO 0.46 -0.75 0.00 -2.37 0.00 0.00 0.00 175.02 172.36 1kpq n THR 96 N -2.62 0.00 -3.81 2.05 5.66 -1.26 -2.96 114.28 111.34 1kpq n THR 96 Ca 0.05 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.78 1kpq n THR 96 Cb 0.58 0.00 -0.17 0.00 -1.55 0.00 0.00 70.33 69.19 1kpq n THR 96 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 1kpq s ILE 97 N 0.47 0.77 -0.78 1.09 1.01 -1.26 -4.03 121.20 118.46 1kpq s ILE 97 Ca 0.00 -0.46 -0.26 0.00 0.00 0.00 0.00 60.65 59.93 1kpq s ILE 97 Cb 0.00 -1.05 0.01 0.00 0.01 0.00 0.00 42.46 41.43 1kpq s ILE 97 CO 0.00 0.04 1.59 -0.75 0.00 0.00 0.00 174.94 175.81 1kpq s LYS 98 N 1.78 3.00 0.26 2.79 2.20 -1.15 -4.64 119.74 123.98 1kpq s LYS 98 Ca 0.01 -0.16 -0.31 0.00 -0.36 0.00 0.00 55.97 55.16 1kpq s LYS 98 Cb -0.15 -4.59 -0.13 0.00 -1.51 0.00 0.00 37.83 31.44 1kpq s LYS 98 CO -0.07 -2.52 1.37 0.25 -0.36 0.00 0.00 175.35 174.02 1kpq n THR 99 N 6.95 1.18 0.00 3.43 -2.24 -1.26 -4.76 114.28 117.59 1kpq n THR 99 Ca 0.19 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 1kpq n THR 99 Cb 0.50 -1.47 0.00 0.00 -2.10 0.00 0.00 70.33 67.26 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 1.86 3.95 0.06 3.38 0.00 0.30 -4.98 105.19 109.76 1kpq n GLY 100 Ca 0.10 -0.26 -0.03 0.00 0.00 0.00 0.00 46.02 45.84 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 0.00 0.07 1.61 1.79 -1.96 -3.40 116.57 114.68 1kpq h LYS 101 Ca 0.00 0.00 -0.25 0.00 -2.18 0.00 0.00 60.65 58.22 1kpq h LYS 101 Cb 0.00 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1kpq h LYS 101 CO 0.00 0.00 -1.11 0.45 -1.08 0.00 0.00 179.45 177.71 1kpq h HIS 102 N -0.90 0.40 -2.29 -1.35 -0.00 -1.90 -3.39 115.15 105.72 1kpq h HIS 102 Ca 0.00 -0.27 -0.70 0.00 -0.00 0.00 0.00 60.37 59.40 1kpq h HIS 102 Cb 0.28 -0.02 -0.17 0.00 -0.00 0.00 0.00 27.41 27.49 1kpq h HIS 102 CO -0.12 1.17 1.03 0.08 -0.00 0.00 0.00 177.93 180.09 1kpq s VAL 103 N -2.83 4.81 0.00 2.45 1.01 -1.26 0.95 120.40 125.53 1kpq s VAL 103 Ca -0.03 -1.92 0.00 0.00 0.00 0.00 0.00 61.98 60.03 1kpq s VAL 103 Cb 0.08 -4.83 0.00 0.00 0.00 0.00 0.00 36.38 31.63 1kpq s VAL 103 CO 0.86 -1.56 0.00 0.47 0.00 0.00 0.00 175.10 174.87 1kpq n ASP 104 N 6.31 0.00 0.12 3.32 8.00 -1.12 0.11 116.55 133.29 1kpq n ASP 104 Ca 0.29 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.91 1kpq n ASP 104 Cb 0.47 0.00 0.17 0.00 -0.02 0.00 0.00 41.12 41.74 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 -2.00 0.73 -0.89 2.24 0.00 -1.92 -3.23 119.26 114.20 1kpq h ALA 105 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 54.91 54.47 1kpq h ALA 105 Cb 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 17.79 17.53 1kpq h ALA 105 CO 0.00 0.00 0.52 0.09 0.00 0.00 0.00 179.25 179.86 1kpq n ASN 106 N -2.51 3.76 -2.05 0.00 3.02 -1.26 -4.88 115.26 111.34 1kpq n ASN 106 Ca 0.03 -3.57 -0.03 0.00 -0.03 0.00 0.00 54.58 50.97 1kpq n ASN 106 Cb 0.49 -0.80 -0.01 0.00 -0.61 0.00 0.00 39.78 38.85 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 -1.01 -0.25 3.81 7.41 0.00 -1.22 -4.63 105.19 109.31 1kpq n GLY 107 Ca 0.54 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.20 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 -4.16 4.28 -0.76 1.61 2.20 -1.26 0.15 119.74 121.79 1kpq s LYS 108 Ca 0.00 0.92 -0.25 0.00 -0.36 0.00 0.00 55.97 56.28 1kpq s LYS 108 Cb 0.00 -2.83 0.05 0.00 -1.51 0.00 0.00 37.83 33.53 1kpq s LYS 108 CO 0.00 0.36 1.21 0.42 -0.36 0.00 0.00 175.35 176.98 1kpq s ILE 109 N -1.57 3.94 -0.30 5.43 -1.09 0.35 -2.81 121.20 125.15 1kpq s ILE 109 Ca 0.45 -0.02 0.03 0.00 -2.23 0.00 0.00 60.65 58.88 1kpq s ILE 109 Cb -0.16 -4.87 0.44 0.00 -1.58 0.00 0.00 42.46 36.28 1kpq s ILE 109 CO 0.21 -1.75 1.58 0.00 -1.23 0.00 0.00 174.94 173.75 1kpq n TYR 110 N 8.77 1.97 -1.26 3.97 9.36 0.27 -4.73 117.16 135.50 1kpq n TYR 110 Ca 0.06 -1.34 -0.36 0.00 3.32 0.00 0.00 57.90 59.58 1kpq n TYR 110 Cb 0.48 -0.69 0.07 0.00 -0.63 0.00 0.00 39.34 38.58 1kpq n TYR 110 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 1kpq n LEU 111 N -0.53 1.31 0.23 2.98 4.77 -1.26 -4.63 117.00 119.86 1kpq n LEU 111 Ca 0.38 0.60 0.14 0.00 -0.03 0.00 0.00 56.01 57.10 1kpq n LEU 111 Cb 1.25 -1.25 0.44 0.00 -2.33 0.00 0.00 43.42 41.52 1kpq n LEU 111 CO 0.39 -2.92 0.90 1.55 -1.33 0.00 0.00 177.39 175.98 1kpq h PRO 112 N -0.39 0.00 0.09 3.23 0.13 -1.99 -2.40 132.00 130.68 1kpq h PRO 112 Ca -0.46 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.50 1kpq h PRO 112 Cb 1.34 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.49 1kpq h PRO 112 CO 0.43 0.00 -0.73 -0.92 -0.23 0.00 0.00 178.00 176.55 1kpq h TYR 113 N 0.00 0.55 -0.39 1.56 5.03 -1.91 -2.43 116.97 119.38 1kpq h TYR 113 Ca 0.00 -0.37 -0.07 0.00 2.58 0.00 0.00 58.73 60.87 1kpq h TYR 113 Cb 0.72 -0.04 -0.01 0.00 1.55 0.00 0.00 36.73 38.95 1kpq h TYR 113 CO 0.00 1.25 -0.05 1.25 -1.32 0.00 0.00 178.16 179.30 1kpq h LEU 114 N -0.30 0.71 -1.11 2.82 6.46 -1.91 0.25 115.31 122.23 1kpq h LEU 114 Ca -0.12 -0.34 0.00 0.00 -0.12 0.00 0.00 57.88 57.31 1kpq h LEU 114 Cb 1.53 -0.19 -0.04 0.00 -0.73 0.00 0.00 40.66 41.22 1kpq h LEU 114 CO 0.14 0.88 0.52 -0.74 -0.62 0.00 0.00 178.44 178.62 1kpq h HIS 115 N 0.53 1.08 -0.90 1.25 2.76 -1.53 -1.41 115.15 116.93 1kpq h HIS 115 Ca 0.10 0.01 -0.51 0.00 -2.20 0.00 0.00 60.37 57.77 1kpq h HIS 115 Cb 0.54 -0.36 -0.28 0.00 1.55 0.00 0.00 27.41 28.86 1kpq h HIS 115 CO 0.04 0.71 0.56 0.39 -1.30 0.00 0.00 177.93 178.33 1kpq n GLU 116 N -4.38 2.34 -2.76 5.26 1.02 -0.92 -4.92 120.64 116.29 1kpq n GLU 116 Ca 0.09 -3.14 -0.43 0.00 -0.02 0.00 0.00 57.16 53.66 1kpq n GLU 116 Cb 0.05 -2.16 -0.04 0.00 -0.02 0.00 0.00 31.44 29.27 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 -3.43 2.86 -0.67 -0.32 -0.00 0.05 -4.93 118.94 112.49 1kpq s TRP 117 Ca 0.57 0.40 0.06 0.00 -0.00 0.00 0.00 56.10 57.13 1kpq s TRP 117 Cb 0.48 -4.13 0.21 0.00 -0.00 0.00 0.00 33.47 30.03 1kpq s TRP 117 CO 0.06 -1.21 0.63 1.17 -0.00 0.00 0.00 176.95 177.60 1kpq n LYS 118 N 7.45 2.19 -0.97 5.86 4.81 -1.26 -4.97 118.16 131.27 1kpq n LYS 118 Ca 0.07 -4.59 -0.36 0.00 -0.87 0.00 0.00 58.31 52.56 1kpq n LYS 118 Cb 0.49 -2.27 0.05 0.00 0.02 0.00 0.00 35.03 33.31 1kpq n LYS 118 CO 0.00 0.00 0.00 -2.39 1.17 0.00 0.00 177.40 176.18 1kpq n HIS 119 N 1.38 -4.00 1.50 5.64 1.44 -1.26 -2.62 115.22 117.30 1kpq n HIS 119 Ca 0.25 0.13 0.10 0.00 -2.01 0.00 0.00 57.72 56.19 1kpq n HIS 119 Cb 0.38 -1.46 0.58 0.00 0.12 0.00 0.00 29.99 29.61 1kpq n HIS 119 CO 0.00 0.00 0.00 -0.35 -2.81 0.00 0.00 176.34 173.18 1kpq n PRO 120 N 1.94 0.75 -0.14 -1.40 -0.04 -1.26 -4.86 135.00 129.99 1kpq n PRO 120 Ca -0.01 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.41 1kpq n PRO 120 Cb 0.60 -1.41 -0.03 0.00 -0.04 0.00 0.00 33.50 32.62 1kpq n PRO 120 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1kpq n GLN 121 N -0.91 -0.14 -3.09 0.54 1.13 -1.08 -4.40 117.38 109.43 1kpq n GLN 121 Ca 0.15 0.90 -0.24 0.00 -1.94 0.00 0.00 57.00 55.87 1kpq n GLN 121 Cb 0.07 -1.33 0.00 0.00 0.11 0.00 0.00 30.24 29.09 1kpq n GLN 121 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1kpq s SER 122 N -4.05 6.04 0.13 1.08 0.15 -1.26 -5.03 113.70 110.76 1kpq s SER 122 Ca -0.04 0.41 -0.23 0.00 0.70 0.00 0.00 55.95 56.79 1kpq s SER 122 Cb 0.04 -1.78 0.06 0.00 -1.71 0.00 0.00 66.02 62.63 1kpq s SER 122 CO 0.20 -0.54 0.58 -1.81 1.20 0.00 0.00 173.24 172.86 1kpq s ASP 123 N -4.14 -0.53 0.22 5.45 1.01 -1.26 -4.50 116.67 112.92 1kpq s ASP 123 Ca 0.45 0.03 -0.15 0.00 0.71 0.00 0.00 52.55 53.60 1kpq s ASP 123 Cb -0.10 0.57 0.25 0.00 1.01 0.00 0.00 42.92 44.65 1kpq s ASP 123 CO 0.38 -0.91 1.60 -0.07 0.21 0.00 0.00 175.17 176.38 1kpq h LEU 124 N 2.19 -0.87 -0.14 1.23 4.07 -1.98 1.48 115.31 121.29 1kpq h LEU 124 Ca -0.33 0.23 0.05 0.00 0.08 0.00 0.00 57.88 57.91 1kpq h LEU 124 Cb 1.28 0.51 -0.06 0.00 1.08 0.00 0.00 40.66 43.47 1kpq h LEU 124 CO 0.39 -0.27 -0.32 -0.07 -1.08 0.00 0.00 178.44 177.09 1kpq h LEU 125 N -0.05 -1.01 -0.66 1.67 -0.00 -1.96 1.43 115.31 114.73 1kpq h LEU 125 Ca 0.32 0.15 -0.00 0.00 -0.00 0.00 0.00 57.88 58.35 1kpq h LEU 125 Cb 0.55 0.43 -0.03 0.00 -0.00 0.00 0.00 40.66 41.61 1kpq h LEU 125 CO -0.75 -0.36 0.40 1.23 -0.00 0.00 0.00 178.44 178.95 1kpq h GLY 126 N -0.39 0.95 0.70 0.83 0.00 -1.04 -1.71 103.07 102.40 1kpq h GLY 126 Ca 0.10 -0.39 -0.03 0.00 0.00 0.00 0.00 47.33 47.00 1kpq h GLY 126 CO -0.36 0.38 -0.33 1.41 0.00 0.00 0.00 176.54 177.64 1kpq h LEU 127 N 0.89 -0.79 -1.60 3.11 -0.00 0.30 -2.00 115.31 115.22 1kpq h LEU 127 Ca 0.24 0.03 0.29 0.00 -0.00 0.00 0.00 57.88 58.43 1kpq h LEU 127 Cb -0.03 0.20 -0.04 0.00 -0.00 0.00 0.00 40.66 40.79 1kpq h LEU 127 CO -0.04 -0.53 0.97 0.40 -0.00 0.00 0.00 178.44 179.23 1kpq h ILE 128 N -1.01 0.17 0.93 1.22 1.08 0.20 0.28 117.51 120.39 1kpq h ILE 128 Ca -0.10 0.00 -0.05 0.00 -0.39 0.00 0.00 64.86 64.33 1kpq h ILE 128 Cb 0.72 0.25 0.01 0.00 -3.07 0.00 0.00 36.82 34.73 1kpq h ILE 128 CO 0.16 0.00 -0.45 -0.61 -0.69 0.00 0.00 178.15 176.56 1kpq h GLN 129 N 0.00 -1.20 -0.63 2.37 5.75 -0.54 0.23 115.11 121.09 1kpq h GLN 129 Ca 0.48 0.08 0.12 0.00 -0.15 0.00 0.00 58.65 59.18 1kpq h GLN 129 Cb 2.40 0.27 -0.09 0.00 1.07 0.00 0.00 27.48 31.14 1kpq h GLN 129 CO -0.01 -0.80 0.13 -0.24 -2.65 0.00 0.00 178.83 175.26 1kpq h VAL 130 N -1.25 0.60 -0.04 2.39 3.04 -0.30 0.48 116.25 121.17 1kpq h VAL 130 Ca -0.13 -0.09 -0.02 0.00 -1.01 0.00 0.00 66.70 65.46 1kpq h VAL 130 Cb 0.96 0.33 -0.00 0.00 -2.01 0.00 0.00 31.29 30.56 1kpq h VAL 130 CO 0.21 0.05 -0.06 0.24 -1.01 0.00 0.00 177.57 176.99 1kpq h MET 131 N 0.25 0.05 -0.05 4.17 2.86 -1.24 1.37 114.93 122.34 1kpq h MET 131 Ca 0.34 -0.01 -0.13 0.00 -2.06 0.00 0.00 59.70 57.84 1kpq h MET 131 Cb 0.52 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.16 1kpq h MET 131 CO -0.44 0.12 -0.55 0.82 1.06 0.00 0.00 176.91 177.93 1kpq h ILE 132 N 0.05 1.38 0.00 -1.22 2.04 0.33 -1.95 117.51 118.14 1kpq h ILE 132 Ca 0.01 -1.87 0.00 0.00 1.00 0.00 0.00 64.86 64.00 1kpq h ILE 132 Cb 0.15 1.96 0.00 0.00 -0.74 0.00 0.00 36.82 38.19 1kpq h ILE 132 CO 0.01 0.55 -0.36 0.58 0.00 0.00 0.00 178.15 178.92 1kpq h VAL 133 N 0.10 0.00 -0.97 1.67 2.07 0.50 -1.06 116.25 118.56 1kpq h VAL 133 Ca -0.00 -0.86 0.21 0.00 0.82 0.00 0.00 66.70 66.87 1kpq h VAL 133 Cb 1.00 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 30.59 1kpq h VAL 133 CO 0.08 0.00 -0.17 0.58 0.02 0.00 0.00 177.57 178.08 1kpq h VAL 134 N -0.86 0.03 0.05 2.57 2.07 0.16 1.00 116.25 121.28 1kpq h VAL 134 Ca 0.00 -0.00 -0.23 0.00 0.82 0.00 0.00 66.70 67.29 1kpq h VAL 134 Cb 0.36 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.14 1kpq h VAL 134 CO 0.00 0.00 -1.07 -0.26 0.02 0.00 0.00 177.57 176.26 1kpq h PHE 135 N 0.00 0.20 -0.02 1.57 0.04 -1.52 -2.77 116.94 114.44 1kpq h PHE 135 Ca 0.50 -0.14 0.01 0.00 2.80 0.00 0.00 57.97 61.13 1kpq h PHE 135 Cb 0.84 -0.01 -0.00 0.00 2.20 0.00 0.00 35.95 38.98 1kpq h PHE 135 CO -0.68 1.09 0.10 0.78 -0.60 0.00 0.00 178.31 179.00 1kpq h GLY 136 N 2.39 0.00 0.00 -1.45 0.00 0.23 -2.49 103.07 101.75 1kpq h GLY 136 Ca -0.06 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 46.91 1kpq h GLY 136 CO 0.16 0.00 -2.01 1.22 0.00 0.00 0.00 176.54 175.91 1kpq n ASP 137 N -3.20 1.92 -3.62 0.19 9.92 0.27 -4.84 116.55 117.19 1kpq n ASP 137 Ca -0.02 0.37 -0.04 0.00 -0.53 0.00 0.00 54.79 54.58 1kpq n ASP 137 Cb 0.17 -0.88 -0.06 0.00 -0.64 0.00 0.00 41.12 39.71 1kpq n ASP 137 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 1kpq s GLU 138 N -2.45 0.52 0.49 -1.24 2.02 -0.94 -5.05 118.70 112.06 1kpq s GLU 138 Ca -0.35 0.98 -0.20 0.00 0.02 0.00 0.00 54.97 55.43 1kpq s GLU 138 Cb 0.11 0.24 -0.08 0.00 0.10 0.00 0.00 34.13 34.50 1kpq s GLU 138 CO 0.53 -0.12 1.04 -1.25 0.02 0.00 0.00 175.26 175.47 1kpq s PRO 139 N 1.77 3.77 0.19 0.39 0.04 -1.25 -4.22 135.00 135.70 1kpq s PRO 139 Ca -0.08 1.34 0.04 0.00 0.04 0.00 0.00 61.00 62.34 1kpq s PRO 139 Cb -0.05 -2.09 0.09 0.00 0.04 0.00 0.00 34.50 32.48 1kpq s PRO 139 CO -0.18 -0.45 1.44 -1.00 0.04 0.00 0.00 177.00 176.85 1kpq h PRO 140 N 1.46 0.18 -6.94 0.56 0.13 -1.94 -3.45 132.00 121.99 1kpq h PRO 140 Ca -0.49 -0.17 -0.48 0.00 -0.87 0.00 0.00 66.00 63.99 1kpq h PRO 140 Cb 1.22 0.04 0.22 0.00 0.13 0.00 0.00 31.00 32.61 1kpq h PRO 140 CO 0.59 0.87 -0.41 1.55 -0.23 0.00 0.00 178.00 180.37 1kpq n VAL 141 N -3.71 0.00 0.00 1.56 3.14 -1.26 -2.91 118.33 115.14 1kpq n VAL 141 Ca -0.03 -0.27 0.00 0.00 -2.96 0.00 0.00 64.34 61.08 1kpq n VAL 141 Cb 0.74 -0.80 0.00 0.00 -1.06 0.00 0.00 33.84 32.72 1kpq n VAL 141 CO 0.00 0.00 0.00 0.33 -6.46 0.00 0.00 176.83 170.70 1kpq n PHE 142 N -4.40 0.00 0.00 1.45 7.35 -1.26 -4.78 117.46 115.82 1kpq n PHE 142 Ca 0.05 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.74 1kpq n PHE 142 Cb 0.56 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.39 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 0.00 0.00 -1.18 -2.13 2.88 -1.26 -4.24 113.62 107.69 1kpq n SER 143 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1kpq n SER 143 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 0.00 -3.37 0.00 -1.46 3.00 -1.26 -5.00 116.66 108.57 1kpq n ARG 144 Ca 0.00 2.52 0.12 0.00 -0.00 0.00 0.00 57.85 60.48 1kpq n ARG 144 Cb 0.00 -2.84 0.70 0.00 0.00 0.00 0.00 32.46 30.32 1kpq n ARG 144 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28