#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 0.00 -3.48 0.00 0.31 -1.26 -5.07 118.33 108.83 1kpq n VAL 3 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1kpq n VAL 3 Cb 0.00 -0.16 0.00 0.00 -0.91 0.00 0.00 33.84 32.77 1kpq n VAL 3 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1kpq n SER 4 N -2.20 0.00 0.15 4.52 7.64 -1.26 -4.89 113.62 117.57 1kpq n SER 4 Ca 0.00 0.00 0.16 0.00 1.01 0.00 0.00 58.87 60.04 1kpq n SER 4 Cb 0.00 0.00 0.54 0.00 -1.01 0.00 0.00 64.21 63.74 1kpq n SER 4 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1kpq h GLU 5 N 1.04 0.00 0.34 1.43 4.39 -2.02 0.36 114.58 120.11 1kpq h GLU 5 Ca 0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 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 -0.16 1.03 -1.16 0.00 0.00 179.01 178.72 1kpq h SER 6 N 0.00 -0.39 0.05 1.42 0.87 -1.98 -0.97 113.55 112.55 1kpq h SER 6 Ca 0.16 -0.10 -0.00 0.00 -1.23 0.00 0.00 61.79 60.62 1kpq h SER 6 Cb 1.57 0.10 0.00 0.00 -0.44 0.00 0.00 62.40 63.63 1kpq h SER 6 CO -0.00 -0.12 -0.03 -0.61 -0.53 0.00 0.00 176.83 175.54 1kpq h GLN 7 N -0.65 -0.07 -0.74 2.24 5.75 -0.76 -2.25 115.11 118.63 1kpq h GLN 7 Ca -0.05 0.00 0.10 0.00 -0.15 0.00 0.00 58.65 58.56 1kpq h GLN 7 Cb 0.46 0.02 -0.12 0.00 1.07 0.00 0.00 27.48 28.91 1kpq h GLN 7 CO 0.08 0.55 -0.45 1.25 -2.65 0.00 0.00 178.83 177.61 1kpq h LEU 8 N -0.84 -1.59 -1.46 -2.39 5.85 -0.99 1.77 115.31 115.66 1kpq h LEU 8 Ca -0.01 0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.99 1kpq h LEU 8 Cb 0.65 0.74 -0.03 0.00 0.37 0.00 0.00 40.66 42.39 1kpq h LEU 8 CO 0.01 -0.31 0.36 0.07 -0.34 0.00 0.00 178.44 178.23 1kpq h LYS 9 N -0.14 0.72 -0.36 1.25 5.09 -1.27 0.15 116.57 122.00 1kpq h LYS 9 Ca 0.21 -0.04 -0.04 0.00 0.09 0.00 0.00 60.65 60.87 1kpq h LYS 9 Cb 0.55 -0.16 -0.01 0.00 0.10 0.00 0.00 32.23 32.70 1kpq h LYS 9 CO -0.79 0.48 0.06 0.87 -2.09 0.00 0.00 179.45 177.97 1kpq h LYS 10 N 0.74 0.59 -0.41 0.07 1.57 0.20 0.73 116.57 120.06 1kpq h LYS 10 Ca 0.20 -0.16 -0.04 0.00 -1.87 0.00 0.00 60.65 58.78 1kpq h LYS 10 Cb -0.08 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.14 1kpq h LYS 10 CO -0.04 0.66 0.11 1.98 -0.57 0.00 0.00 179.45 181.59 1kpq h MET 11 N 0.43 0.66 -0.02 3.15 4.05 0.31 -1.81 114.93 121.70 1kpq h MET 11 Ca 0.11 -0.15 0.00 0.00 -0.28 0.00 0.00 59.70 59.37 1kpq h MET 11 Cb 0.36 -0.09 0.00 0.00 -0.80 0.00 0.00 31.60 31.07 1kpq h MET 11 CO 0.01 0.67 0.00 1.33 0.23 0.00 0.00 176.91 179.15 1kpq n VAL 12 N -4.56 0.02 0.31 -5.77 0.24 0.41 -3.52 118.33 105.46 1kpq n VAL 12 Ca -0.00 -0.09 0.19 0.00 -2.04 0.00 0.00 64.34 62.40 1kpq n VAL 12 Cb 0.20 -0.14 1.00 0.00 -1.47 0.00 0.00 33.84 33.43 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 0.78 0.00 0.00 -1.34 0.87 0.14 -1.67 113.55 112.32 1kpq h SER 13 Ca 0.00 0.00 -0.28 0.00 -1.23 0.00 0.00 61.79 60.28 1kpq h SER 13 Cb 0.17 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.07 1kpq h SER 13 CO 0.00 0.02 -2.25 0.29 -0.53 0.00 0.00 176.83 174.37 1kpq n LYS 14 N -3.29 0.82 -1.64 2.24 5.02 -1.23 -4.94 118.16 115.15 1kpq n LYS 14 Ca -0.02 -0.04 -0.50 0.00 -2.02 0.00 0.00 58.31 55.72 1kpq n LYS 14 Cb 0.14 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 33.61 1kpq n LYS 14 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1kpq n TYR 15 N -2.62 2.12 0.00 2.13 4.02 -0.63 -4.87 117.16 117.31 1kpq n TYR 15 Ca -0.26 0.14 -0.03 0.00 -0.01 0.00 0.00 57.90 57.74 1kpq n TYR 15 Cb 1.01 -2.61 -0.02 0.00 -0.02 0.00 0.00 39.34 37.71 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 9.89 -0.10 -2.00 -0.72 3.11 -1.81 -1.65 116.57 123.30 1kpq h LYS 16 Ca -0.44 0.01 -0.23 0.00 -2.81 0.00 0.00 60.65 57.18 1kpq h LYS 16 Cb 1.29 0.02 -0.09 0.00 -1.00 0.00 0.00 32.23 32.45 1kpq h LYS 16 CO 0.97 -0.06 -0.24 2.48 -2.81 0.00 0.00 179.45 179.78 1kpq n TYR 17 N -3.02 0.27 0.36 1.91 4.11 -1.25 -4.50 117.16 115.03 1kpq n TYR 17 Ca -0.01 -1.56 -0.14 0.00 -0.00 0.00 0.00 57.90 56.19 1kpq n TYR 17 Cb 0.06 -1.52 -0.07 0.00 -0.00 0.00 0.00 39.34 37.82 1kpq n TYR 17 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.86 176.77 1kpq h ARG 18 N 2.91 -0.91 -1.03 -3.48 1.12 -1.55 0.23 114.38 111.67 1kpq h ARG 18 Ca 0.22 0.06 0.41 0.00 -1.11 0.00 0.00 59.98 59.56 1kpq h ARG 18 Cb 1.37 0.21 -0.16 0.00 -0.01 0.00 0.00 29.97 31.37 1kpq h ARG 18 CO 0.33 -0.61 0.59 -3.47 -3.11 0.00 0.00 179.97 173.71 1kpq n ASP 19 N -5.33 0.30 -0.05 -3.80 2.03 -1.26 0.17 116.55 108.61 1kpq n ASP 19 Ca -0.12 1.50 -0.13 0.00 0.52 0.00 0.00 54.79 56.56 1kpq n ASP 19 Cb 0.37 -0.73 -0.12 0.00 -0.72 0.00 0.00 41.12 39.92 1kpq n ASP 19 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1kpq h LEU 20 N 0.00 -0.00 0.17 -2.67 3.38 -1.87 -2.50 115.31 111.81 1kpq h LEU 20 Ca 0.81 -0.80 0.01 0.00 0.09 0.00 0.00 57.88 58.00 1kpq h LEU 20 Cb 2.27 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.99 1kpq h LEU 20 CO -0.66 0.80 -0.29 0.74 0.09 0.00 0.00 178.44 179.13 1kpq h THR 21 N -0.82 0.38 -0.84 0.22 2.02 0.48 1.35 112.91 115.69 1kpq h THR 21 Ca -0.00 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.31 1kpq h THR 21 Cb 0.80 0.38 -0.09 0.00 -1.74 0.00 0.00 68.15 67.51 1kpq h THR 21 CO 0.00 0.00 0.45 0.58 0.37 0.00 0.00 175.52 176.92 1kpq h VAL 22 N -0.53 0.78 -0.11 3.16 2.07 0.16 1.17 116.25 122.94 1kpq h VAL 22 Ca 0.02 -0.23 -0.03 0.00 0.82 0.00 0.00 66.70 67.28 1kpq h VAL 22 Cb 0.54 0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.35 1kpq h VAL 22 CO -0.13 0.12 -0.03 -0.09 0.02 0.00 0.00 177.57 177.46 1kpq h ARG 23 N 0.67 0.22 -0.38 1.57 2.43 -0.83 -1.08 114.38 116.97 1kpq h ARG 23 Ca 0.45 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.53 1kpq h ARG 23 Cb 0.58 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.10 1kpq h ARG 23 CO -0.33 0.52 0.24 0.93 -1.51 0.00 0.00 179.97 179.83 1kpq h GLU 24 N -0.11 0.51 -0.20 0.20 5.08 0.30 0.29 114.58 120.65 1kpq h GLU 24 Ca 0.03 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1kpq h GLU 24 Cb 0.45 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1kpq h GLU 24 CO 0.01 0.36 0.06 1.15 -1.00 0.00 0.00 179.01 179.59 1kpq h THR 25 N 0.51 1.10 -0.24 1.13 2.02 0.14 0.47 112.91 118.03 1kpq h THR 25 Ca 0.14 -0.33 -0.15 0.00 0.77 0.00 0.00 66.41 66.84 1kpq h THR 25 Cb -0.03 0.88 0.00 0.00 -1.74 0.00 0.00 68.15 67.27 1kpq h THR 25 CO -0.03 0.12 -0.43 1.62 0.37 0.00 0.00 175.52 177.17 1kpq h VAL 26 N 0.28 1.31 0.12 3.16 3.04 -0.30 -2.45 116.25 121.40 1kpq h VAL 26 Ca 0.07 -1.63 -0.01 0.00 -1.01 0.00 0.00 66.70 64.12 1kpq h VAL 26 Cb 0.10 1.74 0.00 0.00 -2.01 0.00 0.00 31.29 31.13 1kpq h VAL 26 CO -0.00 0.52 -0.06 -1.13 -1.01 0.00 0.00 177.57 175.89 1kpq h ASN 27 N 0.44 -0.13 -0.55 3.17 -0.73 -0.10 0.50 115.58 118.18 1kpq h ASN 27 Ca 0.02 -0.32 0.06 0.00 1.87 0.00 0.00 56.30 57.92 1kpq h ASN 27 Cb 1.03 0.03 -0.09 0.00 0.27 0.00 0.00 38.32 39.56 1kpq h ASN 27 CO 0.10 0.27 -0.55 0.58 -0.37 0.00 0.00 177.43 177.46 1kpq h VAL 28 N -0.57 0.01 0.60 2.57 2.07 -0.13 1.70 116.25 122.50 1kpq h VAL 28 Ca -0.02 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.47 1kpq h VAL 28 Cb 0.45 0.01 0.01 0.00 -1.52 0.00 0.00 31.29 30.23 1kpq h VAL 28 CO 0.03 0.00 -0.29 0.16 0.02 0.00 0.00 177.57 177.49 1kpq h ILE 29 N -0.30 0.34 -0.91 4.57 3.07 -1.46 0.19 117.51 123.01 1kpq h ILE 29 Ca 0.10 -0.20 0.25 0.00 1.55 0.00 0.00 64.86 66.56 1kpq h ILE 29 Cb 0.56 0.42 -0.16 0.00 -0.27 0.00 0.00 36.82 37.36 1kpq h ILE 29 CO -0.68 0.03 0.12 0.74 -1.05 0.00 0.00 178.15 177.31 1kpq h THR 30 N -0.95 0.17 -0.19 0.16 2.02 0.83 0.56 112.91 115.51 1kpq h THR 30 Ca -0.08 -0.03 -0.05 0.00 0.77 0.00 0.00 66.41 67.01 1kpq h THR 30 Cb 0.67 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 1kpq h THR 30 CO 0.14 0.02 -0.08 0.25 0.37 0.00 0.00 175.52 176.21 1kpq h LEU 31 N 0.09 0.41 -7.55 2.58 7.12 0.27 -3.42 115.31 114.81 1kpq h LEU 31 Ca 0.57 -0.40 -0.53 0.00 0.13 0.00 0.00 57.88 57.65 1kpq h LEU 31 Cb 1.16 -0.11 -0.38 0.00 -0.53 0.00 0.00 40.66 40.80 1kpq h LEU 31 CO -0.78 0.71 -0.79 -0.31 -0.13 0.00 0.00 178.44 177.15 1kpq s TYR 32 N -4.63 1.42 -0.79 1.25 1.51 0.19 -5.02 117.35 111.28 1kpq s TYR 32 Ca -0.14 -0.87 -0.07 0.00 -1.01 0.00 0.00 57.07 54.99 1kpq s TYR 32 Cb 0.06 -1.18 -0.08 0.00 -0.11 0.00 0.00 41.96 40.65 1kpq s TYR 32 CO 0.75 -0.56 3.04 1.63 -1.11 0.00 0.00 175.55 179.30 1kpq n LYS 33 N 4.95 3.04 0.00 -0.62 4.76 -0.96 -3.66 118.16 125.67 1kpq n LYS 33 Ca -0.11 -2.07 0.00 0.00 -2.87 0.00 0.00 58.31 53.27 1kpq n LYS 33 Cb 0.48 -2.37 0.00 0.00 -1.84 0.00 0.00 35.03 31.30 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 2.32 0.83 -4.60 4.39 9.92 -1.26 -5.01 116.55 123.13 1kpq n ASP 34 Ca 0.58 0.00 -0.43 0.00 -0.53 0.00 0.00 54.79 54.41 1kpq n ASP 34 Cb 0.53 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.98 1kpq n ASP 34 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1kpq s LEU 35 N -4.86 3.47 -0.32 0.64 2.01 -1.24 -4.22 118.68 114.16 1kpq s LEU 35 Ca 0.00 1.67 -0.15 0.00 0.01 0.00 0.00 54.13 55.66 1kpq s LEU 35 Cb 0.00 -3.52 -0.02 0.00 0.01 0.00 0.00 46.19 42.66 1kpq s LEU 35 CO 0.00 -1.86 0.37 -0.75 1.01 0.00 0.00 176.35 175.12 1kpq s LYS 36 N 6.07 3.72 0.15 1.70 2.47 -0.78 -4.75 119.74 128.32 1kpq s LYS 36 Ca 0.93 -0.26 -0.30 0.00 -1.56 0.00 0.00 55.97 54.78 1kpq s LYS 36 Cb -0.29 -3.75 -0.07 0.00 -1.46 0.00 0.00 37.83 32.26 1kpq s LYS 36 CO 0.35 -0.44 1.14 -1.25 0.16 0.00 0.00 175.35 175.30 1kpq s PRO 37 N 2.05 4.54 0.27 4.03 0.04 -1.26 -1.22 135.00 143.44 1kpq s PRO 37 Ca 0.13 1.75 0.02 0.00 0.04 0.00 0.00 61.00 62.94 1kpq s PRO 37 Cb -0.16 -3.29 -0.05 0.00 0.04 0.00 0.00 34.50 31.03 1kpq s PRO 37 CO 0.11 -0.04 0.07 0.08 0.04 0.00 0.00 177.00 177.26 1kpq s VAL 38 N 0.14 0.79 -0.22 -0.36 1.01 -0.64 -4.97 120.40 116.16 1kpq s VAL 38 Ca 0.52 -2.00 -0.04 0.00 0.00 0.00 0.00 61.98 60.46 1kpq s VAL 38 Cb -0.30 -2.61 0.07 0.00 0.00 0.00 0.00 36.38 33.54 1kpq s VAL 38 CO 0.34 -0.07 0.08 -0.22 0.00 0.00 0.00 175.10 175.23 1kpq s LEU 39 N -3.35 0.85 -0.05 3.92 1.98 -1.26 -1.78 118.68 118.98 1kpq s LEU 39 Ca 0.36 -0.95 0.06 0.00 -2.89 0.00 0.00 54.13 50.70 1kpq s LEU 39 Cb 0.08 -0.44 -0.01 0.00 0.66 0.00 0.00 46.19 46.48 1kpq s LEU 39 CO 0.13 -0.37 -0.23 -0.62 -1.89 0.00 0.00 176.35 173.38 1kpq s ASP 40 N 1.99 2.80 -0.08 3.68 2.15 -0.85 -4.66 116.67 121.70 1kpq s ASP 40 Ca 0.04 -0.46 -0.11 0.00 0.43 0.00 0.00 52.55 52.44 1kpq s ASP 40 Cb -0.16 -0.72 -0.05 0.00 -0.30 0.00 0.00 42.92 41.68 1kpq s ASP 40 CO -0.17 0.23 0.27 -0.94 -0.17 0.00 0.00 175.17 174.39 1kpq s SER 41 N -0.15 6.56 0.04 -0.34 1.04 -1.26 -2.56 113.70 117.02 1kpq s SER 41 Ca -0.02 0.66 0.03 0.00 0.48 0.00 0.00 55.95 57.10 1kpq s SER 41 Cb -0.13 -2.16 -0.02 0.00 0.10 0.00 0.00 66.02 63.81 1kpq s SER 41 CO 0.03 0.31 -0.09 -0.47 0.98 0.00 0.00 173.24 174.00 1kpq s TYR 42 N -0.73 0.82 0.12 5.02 5.04 -0.56 -4.96 117.35 122.11 1kpq s TYR 42 Ca 0.18 -0.40 -0.14 0.00 -2.44 0.00 0.00 57.07 54.28 1kpq s TYR 42 Cb -0.14 -0.49 -0.07 0.00 0.35 0.00 0.00 41.96 41.62 1kpq s TYR 42 CO 0.07 -0.03 0.52 0.14 -1.34 0.00 0.00 175.55 174.91 1kpq s VAL 43 N -1.06 4.90 0.03 3.14 -7.23 -1.26 -1.64 120.40 117.28 1kpq s VAL 43 Ca -0.05 0.79 -0.09 0.00 -1.81 0.00 0.00 61.98 60.82 1kpq s VAL 43 Cb -0.08 -3.73 -0.05 0.00 0.56 0.00 0.00 36.38 33.08 1kpq s VAL 43 CO 0.01 0.29 0.33 -0.36 -0.31 0.00 0.00 175.10 175.05 1kpq s PHE 44 N -1.41 3.59 -0.84 2.82 0.08 -0.61 -4.96 117.98 116.65 1kpq s PHE 44 Ca 0.36 0.70 -0.22 0.00 0.12 0.00 0.00 56.93 57.88 1kpq s PHE 44 Cb -0.15 -2.08 -0.18 0.00 -0.57 0.00 0.00 43.02 40.03 1kpq s PHE 44 CO 0.19 0.58 2.33 0.09 -0.10 0.00 0.00 175.22 178.31 1kpq n ASN 45 N 1.13 1.07 0.00 1.36 3.02 -1.26 -1.98 115.26 118.60 1kpq n ASN 45 Ca -0.10 -1.36 0.00 0.00 -0.03 0.00 0.00 54.58 53.09 1kpq n ASN 45 Cb 0.53 -1.43 0.00 0.00 -0.61 0.00 0.00 39.78 38.27 1kpq n ASN 45 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1kpq n ASP 46 N 15.98 0.00 0.00 6.41 8.00 -1.26 -5.00 116.55 140.67 1kpq n ASP 46 Ca 0.50 0.00 0.00 0.00 0.71 0.00 0.00 54.79 56.00 1kpq n ASP 46 Cb 0.37 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.47 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 0.29 3.24 0.44 0.00 -0.84 -5.17 105.19 103.15 1kpq n GLY 47 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 1kpq n GLY 47 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1kpq s SER 48 N -0.19 0.73 0.08 1.61 1.04 -1.24 -5.00 113.70 110.73 1kpq s SER 48 Ca 0.00 -1.49 0.04 0.00 0.48 0.00 0.00 55.95 54.98 1kpq s SER 48 Cb 0.00 0.41 -0.03 0.00 0.10 0.00 0.00 66.02 66.49 1kpq s SER 48 CO 0.00 -0.89 -0.11 -0.94 0.98 0.00 0.00 173.24 172.28 1kpq s SER 49 N -3.24 1.43 0.12 7.02 1.04 -1.26 -1.58 113.70 117.23 1kpq s SER 49 Ca 0.39 -0.73 -0.14 0.00 0.48 0.00 0.00 55.95 55.94 1kpq s SER 49 Cb 0.06 -0.00 0.03 0.00 0.10 0.00 0.00 66.02 66.20 1kpq s SER 49 CO 0.16 -0.21 0.36 -0.13 0.98 0.00 0.00 173.24 174.40 1kpq s ARG 50 N -2.40 1.02 -0.19 4.02 0.52 -0.65 -4.94 118.95 116.33 1kpq s ARG 50 Ca 0.02 -0.76 -0.02 0.00 -0.52 0.00 0.00 55.73 54.45 1kpq s ARG 50 Cb -0.05 0.44 -0.01 0.00 0.52 0.00 0.00 34.95 35.85 1kpq s ARG 50 CO 0.01 -0.38 -0.08 -1.21 0.02 0.00 0.00 175.30 173.65 1kpq s GLU 51 N -3.79 3.35 0.06 3.54 8.01 -1.26 -1.50 118.70 127.10 1kpq s GLU 51 Ca 0.03 -0.66 0.05 0.00 0.01 0.00 0.00 54.97 54.40 1kpq s GLU 51 Cb 0.02 -2.86 -0.03 0.00 -4.31 0.00 0.00 34.13 26.96 1kpq s GLU 51 CO -0.12 -0.08 -0.13 -0.51 0.01 0.00 0.00 175.26 174.43 1kpq s LEU 52 N 1.13 2.24 -0.03 1.80 2.01 -1.06 -4.97 118.68 119.80 1kpq s LEU 52 Ca 0.01 -0.55 -0.16 0.00 0.01 0.00 0.00 54.13 53.44 1kpq s LEU 52 Cb -0.14 -0.49 -0.05 0.00 0.01 0.00 0.00 46.19 45.51 1kpq s LEU 52 CO -0.02 -0.06 0.42 -0.32 1.01 0.00 0.00 176.35 177.39 1kpq s MET 53 N -1.52 4.05 -0.17 1.70 -2.45 -1.26 -2.01 119.30 117.64 1kpq s MET 53 Ca -0.02 0.42 0.01 0.00 -1.25 0.00 0.00 55.69 54.85 1kpq s MET 53 Cb -0.09 -3.28 0.03 0.00 1.25 0.00 0.00 34.83 32.73 1kpq s MET 53 CO 0.02 0.54 -0.15 0.54 1.05 0.00 0.00 175.02 177.02 1kpq s ASN 54 N -0.61 3.04 -0.59 1.11 4.22 -0.74 -1.53 114.94 119.85 1kpq s ASN 54 Ca 0.24 -0.66 -0.22 0.00 -2.14 0.00 0.00 52.86 50.08 1kpq s ASN 54 Cb -0.16 -1.30 0.06 0.00 1.28 0.00 0.00 41.25 41.13 1kpq s ASN 54 CO 0.12 -0.06 0.88 -0.76 -2.04 0.00 0.00 177.10 175.24 1kpq s LEU 55 N 1.39 4.44 -0.32 3.54 1.43 0.14 -1.62 118.68 127.67 1kpq s LEU 55 Ca 0.03 -0.76 -0.06 0.00 -1.03 0.00 0.00 54.13 52.31 1kpq s LEU 55 Cb -0.14 -2.57 0.03 0.00 0.03 0.00 0.00 46.19 43.54 1kpq s LEU 55 CO -0.11 -1.24 0.09 -0.89 0.23 0.00 0.00 176.35 174.43 1kpq s THR 56 N 3.69 3.75 0.20 5.49 2.01 -0.35 -1.14 115.64 129.28 1kpq s THR 56 Ca 0.23 -1.05 -0.02 0.00 0.31 0.00 0.00 61.69 61.17 1kpq s THR 56 Cb -0.16 -3.08 0.01 0.00 0.01 0.00 0.00 72.50 69.28 1kpq s THR 56 CO 0.14 -0.11 0.29 0.61 -0.69 0.00 0.00 174.62 174.85 1kpq n GLY 57 N 4.81 2.47 2.75 4.40 0.00 -1.04 -1.87 105.19 116.70 1kpq n GLY 57 Ca -0.13 -1.48 -0.21 0.00 0.00 0.00 0.00 46.02 44.20 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 -2.63 0.18 0.13 2.61 -4.23 -1.26 -2.00 115.64 108.43 1kpq s THR 58 Ca 0.15 0.21 -0.18 0.00 -1.18 0.00 0.00 61.69 60.70 1kpq s THR 58 Cb -0.01 -0.36 -0.07 0.00 1.34 0.00 0.00 72.50 73.40 1kpq s THR 58 CO 0.11 0.21 0.60 -0.63 -0.54 0.00 0.00 174.62 174.37 1kpq s ILE 59 N 1.85 4.73 -0.19 2.99 1.01 -0.85 -4.81 121.20 125.92 1kpq s ILE 59 Ca 0.02 1.12 -0.29 0.00 0.00 0.00 0.00 60.65 61.50 1kpq s ILE 59 Cb -0.12 -3.85 -0.01 0.00 0.01 0.00 0.00 42.46 38.48 1kpq s ILE 59 CO -0.04 0.39 1.32 -2.16 0.00 0.00 0.00 174.94 174.46 1kpq s PRO 60 N -1.53 4.12 -0.27 2.79 0.04 -1.26 -2.01 135.00 136.87 1kpq s PRO 60 Ca 0.34 1.60 -0.02 0.00 0.04 0.00 0.00 61.00 62.96 1kpq s PRO 60 Cb -0.18 -3.83 0.12 0.00 0.04 0.00 0.00 34.50 30.65 1kpq s PRO 60 CO 0.20 -0.86 0.24 0.08 0.04 0.00 0.00 177.00 176.69 1kpq s VAL 61 N 3.87 -0.30 0.44 -0.36 1.01 -0.22 -4.92 120.40 119.92 1kpq s VAL 61 Ca 0.57 -0.49 -0.22 0.00 0.00 0.00 0.00 61.98 61.84 1kpq s VAL 61 Cb -0.21 -0.93 -0.09 0.00 0.00 0.00 0.00 36.38 35.15 1kpq s VAL 61 CO 0.19 -0.49 1.05 -2.16 0.00 0.00 0.00 175.10 173.69 1kpq s PRO 62 N 2.28 4.01 -0.19 2.72 0.04 -1.26 -1.05 135.00 141.56 1kpq s PRO 62 Ca 0.09 1.45 -0.00 0.00 0.04 0.00 0.00 61.00 62.58 1kpq s PRO 62 Cb -0.15 -2.35 -0.22 0.00 0.04 0.00 0.00 34.50 31.83 1kpq s PRO 62 CO -0.30 -0.27 0.09 0.98 0.04 0.00 0.00 177.00 177.54 1kpq n TYR 63 N -0.45 0.59 0.00 0.56 9.36 -0.81 -4.84 117.16 121.56 1kpq n TYR 63 Ca 0.07 0.13 0.00 0.00 3.32 0.00 0.00 57.90 61.42 1kpq n TYR 63 Cb 0.51 -1.08 0.00 0.00 -0.63 0.00 0.00 39.34 38.14 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 -3.31 0.00 0.00 2.98 5.12 -1.26 -4.98 116.66 115.21 1kpq n ARG 64 Ca -0.38 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.54 1kpq n ARG 64 Cb 1.03 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 32.33 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 0.68 0.34 3.21 -0.13 0.00 -1.26 -5.03 105.19 103.00 1kpq n GLY 65 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 1kpq n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kpq s ASN 66 N -0.38 2.12 -0.09 1.61 4.22 -1.26 -5.13 114.94 116.03 1kpq s ASN 66 Ca 0.00 -0.53 -0.21 0.00 -2.14 0.00 0.00 52.86 49.98 1kpq s ASN 66 Cb 0.00 -0.15 -0.04 0.00 1.28 0.00 0.00 41.25 42.35 1kpq s ASN 66 CO 0.00 0.08 0.59 -0.89 -2.04 0.00 0.00 177.10 174.84 1kpq s THR 67 N -0.91 5.11 0.29 0.54 2.01 -1.26 -1.93 115.64 119.49 1kpq s THR 67 Ca 0.04 1.21 0.06 0.00 0.31 0.00 0.00 61.69 63.31 1kpq s THR 67 Cb -0.09 -3.93 -0.02 0.00 0.01 0.00 0.00 72.50 68.47 1kpq s THR 67 CO 0.02 0.28 0.40 -0.47 -0.69 0.00 0.00 174.62 174.17 1kpq s TYR 68 N 0.73 3.25 -0.68 4.92 6.14 -0.22 -4.84 117.35 126.67 1kpq s TYR 68 Ca 0.32 -0.13 0.00 0.00 0.64 0.00 0.00 57.07 57.90 1kpq s TYR 68 Cb -0.16 -1.78 0.17 0.00 0.42 0.00 0.00 41.96 40.61 1kpq s TYR 68 CO 0.14 0.21 0.48 -0.80 0.64 0.00 0.00 175.55 176.23 1kpq s ASN 69 N -4.07 5.12 -0.29 4.32 0.01 -1.26 -1.05 114.94 117.72 1kpq s ASN 69 Ca 0.40 -3.26 -0.29 0.00 -0.71 0.00 0.00 52.86 48.99 1kpq s ASN 69 Cb -0.09 -1.78 -0.01 0.00 0.41 0.00 0.00 41.25 39.78 1kpq s ASN 69 CO 0.30 -0.25 1.45 -0.63 -1.51 0.00 0.00 177.10 176.47 1kpq s ILE 70 N -0.65 3.91 0.20 0.60 -1.09 -0.85 -4.83 121.20 118.50 1kpq s ILE 70 Ca 0.21 1.01 -0.30 0.00 -2.23 0.00 0.00 60.65 59.34 1kpq s ILE 70 Cb -0.16 -3.98 -0.08 0.00 -1.58 0.00 0.00 42.46 36.66 1kpq s ILE 70 CO -0.07 -0.45 1.10 -2.16 -1.23 0.00 0.00 174.94 172.14 1kpq s PRO 71 N 4.53 4.60 -0.03 2.79 0.04 -1.26 -2.01 135.00 143.66 1kpq s PRO 71 Ca 0.64 1.75 -0.14 0.00 0.04 0.00 0.00 61.00 63.29 1kpq s PRO 71 Cb -0.19 -3.25 0.02 0.00 0.04 0.00 0.00 34.50 31.12 1kpq s PRO 71 CO 0.27 0.11 0.30 0.96 0.04 0.00 0.00 177.00 178.68 1kpq s ILE 72 N -0.47 0.05 0.07 0.56 -0.00 -0.85 -3.61 121.20 116.95 1kpq s ILE 72 Ca 0.48 -0.40 0.06 0.00 -0.00 0.00 0.00 60.65 60.79 1kpq s ILE 72 Cb -0.30 -0.57 -0.03 0.00 -0.00 0.00 0.00 42.46 41.56 1kpq s ILE 72 CO 0.36 -0.22 -0.17 0.00 -0.00 0.00 0.00 174.94 174.91 1kpq s LEU 74 N -1.61 1.14 -0.04 0.00 0.20 -0.29 -2.50 118.68 115.58 1kpq s LEU 74 Ca 0.02 -0.11 -0.04 0.00 0.69 0.00 0.00 54.13 54.69 1kpq s LEU 74 Cb -0.09 -0.44 -0.04 0.00 -0.43 0.00 0.00 46.19 45.19 1kpq s LEU 74 CO 0.03 -0.09 0.17 0.26 -0.29 0.00 0.00 176.35 176.42 1kpq s TRP 75 N 1.19 3.55 0.32 5.38 0.52 -0.98 0.24 118.94 129.16 1kpq s TRP 75 Ca -0.07 0.39 0.10 0.00 0.02 0.00 0.00 56.10 56.55 1kpq s TRP 75 Cb -0.14 -1.85 -0.06 0.00 -1.15 0.00 0.00 33.47 30.27 1kpq s TRP 75 CO -0.02 0.66 -0.12 -0.51 0.02 0.00 0.00 176.95 176.99 1kpq s LEU 76 N -1.72 2.70 0.32 2.99 1.02 -0.58 -2.08 118.68 121.33 1kpq s LEU 76 Ca 0.24 -1.13 0.05 0.00 0.02 0.00 0.00 54.13 53.31 1kpq s LEU 76 Cb -0.12 -1.05 -0.03 0.00 0.02 0.00 0.00 46.19 45.00 1kpq s LEU 76 CO 0.15 -0.12 0.22 -1.48 0.02 0.00 0.00 176.35 175.13 1kpq s LEU 77 N -3.58 1.69 -0.08 1.79 -0.00 -1.26 -4.36 118.68 112.87 1kpq s LEU 77 Ca 0.32 -1.66 0.16 0.00 -0.00 0.00 0.00 54.13 52.95 1kpq s LEU 77 Cb -0.00 0.38 -0.23 0.00 -0.00 0.00 0.00 46.19 46.34 1kpq s LEU 77 CO 0.16 -0.98 0.45 0.47 -0.00 0.00 0.00 176.35 176.45 1kpq n ASP 78 N -1.23 0.46 0.00 1.48 9.92 -1.26 -4.88 116.55 121.03 1kpq n ASP 78 Ca 0.04 0.21 0.00 0.00 -0.53 0.00 0.00 54.79 54.51 1kpq n ASP 78 Cb 0.64 0.57 0.00 0.00 -0.64 0.00 0.00 41.12 41.69 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 -2.83 0.00 -3.03 -3.53 5.66 -1.26 -2.84 114.28 106.45 1kpq n THR 79 Ca -0.20 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 60.60 1kpq n THR 79 Cb 1.01 0.00 0.01 0.00 -1.55 0.00 0.00 70.33 69.80 1kpq n THR 79 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 175.07 171.71 1kpq s TYR 80 N -0.75 2.95 0.15 1.09 1.51 -1.26 -2.08 117.35 118.95 1kpq s TYR 80 Ca 0.00 -0.19 -0.03 0.00 -1.01 0.00 0.00 57.07 55.85 1kpq s TYR 80 Cb 0.00 -2.37 -0.03 0.00 -0.11 0.00 0.00 41.96 39.46 1kpq s TYR 80 CO 0.00 -0.42 1.36 -1.00 -1.11 0.00 0.00 175.55 174.38 1kpq h PRO 81 N 0.54 0.40 0.00 -1.71 0.13 -2.00 -3.41 132.00 125.95 1kpq h PRO 81 Ca -0.43 -0.38 0.00 0.00 -0.87 0.00 0.00 66.00 64.32 1kpq h PRO 81 Cb 1.27 0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.50 1kpq h PRO 81 CO 0.50 1.04 -0.40 0.66 -0.23 0.00 0.00 178.00 179.57 1kpq n TYR 82 N -3.78 0.12 0.00 1.56 4.01 -1.25 -5.07 117.16 112.75 1kpq n TYR 82 Ca -0.05 0.05 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1kpq n TYR 82 Cb 0.78 -0.31 0.00 0.00 -0.31 0.00 0.00 39.34 39.50 1kpq n TYR 82 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1kpq n ASN 83 N -3.40 0.00 -4.80 7.72 3.02 -0.89 -4.96 115.26 111.95 1kpq n ASN 83 Ca -0.06 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.16 1kpq n ASN 83 Cb 0.21 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.36 1kpq n ASN 83 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1kpq s PRO 84 N 0.00 3.69 0.93 3.52 0.04 -1.26 -4.73 135.00 137.19 1kpq s PRO 84 Ca 0.00 1.30 -0.13 0.00 0.04 0.00 0.00 61.00 62.21 1kpq s PRO 84 Cb 0.00 -2.08 0.15 0.00 0.04 0.00 0.00 34.50 32.61 1kpq s PRO 84 CO 0.00 -0.51 1.15 -1.25 0.04 0.00 0.00 177.00 176.42 1kpq s PRO 85 N -3.48 1.00 0.19 0.56 0.04 -1.26 -4.89 135.00 127.17 1kpq s PRO 85 Ca 0.66 0.24 0.05 0.00 0.04 0.00 0.00 61.00 61.99 1kpq s PRO 85 Cb -0.16 -1.83 -0.04 0.00 0.04 0.00 0.00 34.50 32.52 1kpq s PRO 85 CO 0.24 -2.28 0.20 0.42 0.04 0.00 0.00 177.00 175.62 1kpq s ILE 86 N -3.30 4.70 -0.04 0.56 1.09 -0.88 -4.96 121.20 118.37 1kpq s ILE 86 Ca 0.65 -1.08 0.03 0.00 -1.10 0.00 0.00 60.65 59.15 1kpq s ILE 86 Cb -0.14 -3.45 0.00 0.00 -1.06 0.00 0.00 42.46 37.81 1kpq s ILE 86 CO 0.53 -0.19 -0.13 0.00 -0.10 0.00 0.00 174.94 175.05 1kpq s PHE 88 N 0.18 -0.55 0.71 0.00 -0.71 -1.04 -0.82 117.98 115.75 1kpq s PHE 88 Ca -0.05 1.06 -0.11 0.00 -1.04 0.00 0.00 56.93 56.79 1kpq s PHE 88 Cb -0.11 0.40 0.02 0.00 -1.21 0.00 0.00 43.02 42.12 1kpq s PHE 88 CO 0.02 -0.43 1.07 0.54 -1.34 0.00 0.00 175.22 175.08 1kpq s VAL 89 N -0.75 3.82 -0.40 -2.49 0.11 0.18 -1.11 120.40 119.76 1kpq s VAL 89 Ca -0.04 0.62 0.03 0.00 -2.93 0.00 0.00 61.98 59.65 1kpq s VAL 89 Cb -0.02 -3.27 0.11 0.00 -1.53 0.00 0.00 36.38 31.67 1kpq s VAL 89 CO 0.04 -0.75 0.13 -0.75 -3.33 0.00 0.00 175.10 170.43 1kpq s LYS 90 N -4.91 1.69 0.47 1.54 2.20 -1.24 -4.72 119.74 114.77 1kpq s LYS 90 Ca 0.59 -2.06 -0.21 0.00 -0.36 0.00 0.00 55.97 53.94 1kpq s LYS 90 Cb -0.15 -3.29 -0.08 0.00 -1.51 0.00 0.00 37.83 32.79 1kpq s LYS 90 CO 0.54 -1.00 1.05 -1.25 -0.36 0.00 0.00 175.35 174.32 1kpq s PRO 91 N 0.63 3.83 0.00 4.03 0.04 -1.26 -4.80 135.00 137.48 1kpq s PRO 91 Ca 0.12 1.41 0.00 0.00 0.04 0.00 0.00 61.00 62.57 1kpq s PRO 91 Cb -0.21 -2.17 0.00 0.00 0.04 0.00 0.00 34.50 32.16 1kpq s PRO 91 CO -0.06 -0.41 0.00 0.25 0.04 0.00 0.00 177.00 176.82 1kpq n THR 92 N -0.83 0.00 -0.13 1.26 -2.24 -1.26 -5.05 114.28 106.03 1kpq n THR 92 Ca 0.09 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.63 1kpq n THR 92 Cb 0.52 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.64 1kpq n THR 92 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1kpq n SER 93 N 0.00 1.97 0.05 3.42 7.64 -1.26 -4.53 113.62 120.91 1kpq n SER 93 Ca 0.00 0.11 -0.17 0.00 1.01 0.00 0.00 58.87 59.82 1kpq n SER 93 Cb 0.00 -0.61 -0.08 0.00 -1.01 0.00 0.00 64.21 62.51 1kpq n SER 93 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1kpq h SER 94 N -0.51 0.75 -2.92 6.43 0.87 -2.03 -3.45 113.55 112.69 1kpq h SER 94 Ca -0.64 -0.60 -0.29 0.00 -1.23 0.00 0.00 61.79 59.04 1kpq h SER 94 Cb 1.74 -0.23 0.14 0.00 -0.44 0.00 0.00 62.40 63.61 1kpq h SER 94 CO -0.26 1.40 0.12 0.80 -0.53 0.00 0.00 176.83 178.36 1kpq n MET 95 N -3.81 -2.24 0.00 2.24 0.00 -1.26 -5.09 117.12 106.96 1kpq n MET 95 Ca -0.09 -1.29 0.00 0.00 0.00 0.00 0.00 57.70 56.32 1kpq n MET 95 Cb 0.86 -1.13 0.00 0.00 0.00 0.00 0.00 33.22 32.95 1kpq n MET 95 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 175.97 173.60 1kpq n THR 96 N -4.02 0.00 -3.41 1.12 5.66 -1.26 -4.65 114.28 107.71 1kpq n THR 96 Ca 0.11 0.00 0.02 0.00 -3.05 0.00 0.00 64.05 61.13 1kpq n THR 96 Cb 0.42 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.16 1kpq n THR 96 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 175.07 171.51 1kpq s ILE 97 N -0.62 -0.72 -0.93 1.09 2.07 -0.90 -4.57 121.20 116.61 1kpq s ILE 97 Ca 0.00 0.00 -0.18 0.00 -1.41 0.00 0.00 60.65 59.06 1kpq s ILE 97 Cb 0.00 -1.00 0.15 0.00 0.13 0.00 0.00 42.46 41.74 1kpq s ILE 97 CO 0.00 0.00 1.09 -0.75 -1.91 0.00 0.00 174.94 173.37 1kpq s LYS 98 N 2.72 3.63 0.16 3.50 2.36 0.39 -4.73 119.74 127.77 1kpq s LYS 98 Ca 0.00 -1.93 -0.32 0.00 -2.55 0.00 0.00 55.97 51.17 1kpq s LYS 98 Cb -0.10 -4.85 -0.17 0.00 -1.05 0.00 0.00 37.83 31.67 1kpq s LYS 98 CO -0.18 -1.69 0.95 0.25 1.55 0.00 0.00 175.35 176.23 1kpq n THR 99 N 5.18 1.12 0.00 3.43 -2.24 -1.26 -4.84 114.28 115.68 1kpq n THR 99 Ca 0.23 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1kpq n THR 99 Cb 0.48 -0.44 0.00 0.00 -2.10 0.00 0.00 70.33 68.27 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 1.83 3.98 0.00 3.38 0.00 0.27 -5.00 105.19 109.65 1kpq n GLY 100 Ca 0.16 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 0.00 0.25 1.61 4.01 -1.26 -4.42 118.16 118.35 1kpq n LYS 101 Ca 0.00 0.26 0.15 0.00 -0.51 0.00 0.00 58.31 58.21 1kpq n LYS 101 Cb 0.00 -0.74 0.46 0.00 -0.51 0.00 0.00 35.03 34.24 1kpq n LYS 101 CO 0.00 0.00 0.00 1.12 -1.11 0.00 0.00 177.40 177.41 1kpq h HIS 102 N 0.00 0.00 -2.71 2.13 2.07 -1.88 -3.33 115.15 111.43 1kpq h HIS 102 Ca 0.00 0.00 -0.80 0.00 -2.85 0.00 0.00 60.37 56.72 1kpq h HIS 102 Cb 0.00 0.00 -0.26 0.00 2.57 0.00 0.00 27.41 29.72 1kpq h HIS 102 CO 0.00 0.01 0.96 0.28 -3.07 0.00 0.00 177.93 176.11 1kpq n VAL 103 N -3.10 5.15 -0.32 6.12 0.31 -1.26 -0.72 118.33 124.51 1kpq n VAL 103 Ca 0.02 -5.67 -0.16 0.00 -0.01 0.00 0.00 64.34 58.52 1kpq n VAL 103 Cb 0.41 -2.15 0.15 0.00 -0.91 0.00 0.00 33.84 31.34 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 1.80 -3.01 0.25 4.52 9.92 -1.20 -0.56 116.55 128.27 1kpq n ASP 104 Ca 0.28 -0.46 0.16 0.00 -0.53 0.00 0.00 54.79 54.24 1kpq n ASP 104 Cb 0.34 -0.66 0.64 0.00 -0.64 0.00 0.00 41.12 40.80 1kpq n ASP 104 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1kpq h ALA 105 N -2.80 1.00 -0.48 2.24 0.00 -1.91 -1.52 119.26 115.79 1kpq h ALA 105 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1kpq h ALA 105 Cb 0.70 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1kpq h ALA 105 CO 0.12 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.46 1kpq n ASN 106 N -2.92 4.59 -1.44 0.00 3.02 -1.26 -4.91 115.26 112.34 1kpq n ASN 106 Ca 0.01 -2.70 -0.17 0.00 -0.03 0.00 0.00 54.58 51.69 1kpq n ASN 106 Cb 0.30 -0.56 -0.07 0.00 -0.61 0.00 0.00 39.78 38.83 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 0.45 1.57 3.69 7.41 0.00 -0.57 -4.61 105.19 113.13 1kpq n GLY 107 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.39 4.37 -0.44 1.61 2.20 -1.26 -0.65 119.74 122.17 1kpq s LYS 108 Ca 0.00 1.66 -0.26 0.00 -0.36 0.00 0.00 55.97 57.01 1kpq s LYS 108 Cb 0.00 -3.54 -0.06 0.00 -1.51 0.00 0.00 37.83 32.72 1kpq s LYS 108 CO 0.00 -0.42 2.32 0.42 -0.36 0.00 0.00 175.35 177.31 1kpq s ILE 109 N 2.09 3.04 -0.39 5.43 -1.09 0.00 -3.22 121.20 127.06 1kpq s ILE 109 Ca 0.56 0.03 0.05 0.00 -2.23 0.00 0.00 60.65 59.06 1kpq s ILE 109 Cb -0.25 -3.09 0.51 0.00 -1.58 0.00 0.00 42.46 38.05 1kpq s ILE 109 CO 0.22 -0.08 1.59 0.00 -1.23 0.00 0.00 174.94 175.44 1kpq n TYR 110 N 14.78 2.16 -1.32 3.97 9.36 0.10 -4.84 117.16 141.36 1kpq n TYR 110 Ca 0.34 -2.08 -0.38 0.00 3.32 0.00 0.00 57.90 59.10 1kpq n TYR 110 Cb 0.53 -0.73 0.04 0.00 -0.63 0.00 0.00 39.34 38.54 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 -1.00 -0.94 0.00 2.98 4.77 -1.26 -4.34 117.00 117.21 1kpq n LEU 111 Ca 0.45 0.64 -0.18 0.00 -0.03 0.00 0.00 56.01 56.90 1kpq n LEU 111 Cb 1.03 -1.06 -0.10 0.00 -2.33 0.00 0.00 43.42 40.96 1kpq n LEU 111 CO 0.42 -3.76 0.25 1.55 -1.33 0.00 0.00 177.39 174.51 1kpq h PRO 112 N -0.05 0.54 -0.65 3.23 0.13 -1.96 -3.21 132.00 130.03 1kpq h PRO 112 Ca -0.44 -0.52 -0.01 0.00 -0.87 0.00 0.00 66.00 64.16 1kpq h PRO 112 Cb 1.40 0.14 -0.03 0.00 0.13 0.00 0.00 31.00 32.63 1kpq h PRO 112 CO 0.43 1.15 0.38 -0.92 -0.23 0.00 0.00 178.00 178.81 1kpq h TYR 113 N 0.12 0.86 -0.72 1.56 5.03 -1.92 -2.27 116.97 119.63 1kpq h TYR 113 Ca -0.07 -0.01 0.14 0.00 2.58 0.00 0.00 58.73 61.36 1kpq h TYR 113 Cb 1.36 -0.28 -0.09 0.00 1.55 0.00 0.00 36.73 39.26 1kpq h TYR 113 CO 0.12 0.60 0.25 1.25 -1.32 0.00 0.00 178.16 179.06 1kpq h LEU 114 N 0.88 0.19 0.35 2.82 6.46 -1.88 0.68 115.31 124.82 1kpq h LEU 114 Ca 0.23 0.11 -0.01 0.00 -0.12 0.00 0.00 57.88 58.10 1kpq h LEU 114 Cb -0.01 0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 40.02 1kpq h LEU 114 CO -0.04 0.07 -0.26 -0.74 -0.62 0.00 0.00 178.44 176.85 1kpq h HIS 115 N 0.39 -0.67 -0.50 1.25 2.76 -1.42 -1.81 115.15 115.14 1kpq h HIS 115 Ca 0.39 -0.00 -0.28 0.00 -2.20 0.00 0.00 60.37 58.27 1kpq h HIS 115 Cb 0.59 0.25 -0.15 0.00 1.55 0.00 0.00 27.41 29.65 1kpq h HIS 115 CO -0.19 -0.39 0.36 0.39 -1.30 0.00 0.00 177.93 176.80 1kpq n GLU 116 N -5.38 1.69 -3.87 5.26 -0.58 -0.45 -4.76 120.64 112.55 1kpq n GLU 116 Ca -0.10 -1.55 -0.26 0.00 -0.42 0.00 0.00 57.16 54.84 1kpq n GLU 116 Cb 0.29 -1.61 -0.17 0.00 -0.57 0.00 0.00 31.44 29.38 1kpq n GLU 116 CO 0.00 0.00 0.00 -0.46 -0.48 0.00 0.00 177.13 176.19 1kpq s TRP 117 N -1.73 1.29 0.21 -0.32 -0.00 0.23 -4.96 118.94 113.66 1kpq s TRP 117 Ca 0.30 -0.62 0.04 0.00 -0.00 0.00 0.00 56.10 55.81 1kpq s TRP 117 Cb 0.24 -1.13 -0.05 0.00 -0.00 0.00 0.00 33.47 32.54 1kpq s TRP 117 CO 0.04 -0.48 -0.03 -1.59 -0.00 0.00 0.00 176.95 174.89 1kpq s LYS 118 N 1.77 1.27 1.21 5.86 0.00 -1.26 -4.82 119.74 123.78 1kpq s LYS 118 Ca 0.05 -1.62 -0.14 0.00 0.00 0.00 0.00 55.97 54.25 1kpq s LYS 118 Cb -0.13 -0.61 0.30 0.00 0.00 0.00 0.00 37.83 37.40 1kpq s LYS 118 CO -0.07 -0.06 1.01 -3.38 0.00 0.00 0.00 175.35 172.85 1kpq s HIS 119 N -3.41 1.09 -0.45 1.78 -3.43 -1.26 -3.23 115.29 106.38 1kpq s HIS 119 Ca 0.26 1.06 0.26 0.00 -0.80 0.00 0.00 55.06 55.84 1kpq s HIS 119 Cb 0.05 -3.07 0.89 0.00 -1.43 0.00 0.00 32.58 29.02 1kpq s HIS 119 CO 0.07 -4.08 1.77 -1.00 -2.00 0.00 0.00 174.74 169.49 1kpq h PRO 120 N -2.77 0.00 -0.88 -0.38 0.13 -2.07 -3.43 132.00 122.60 1kpq h PRO 120 Ca -0.60 0.00 0.15 0.00 -0.87 0.00 0.00 66.00 64.68 1kpq h PRO 120 Cb 1.34 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.32 1kpq h PRO 120 CO 0.48 0.00 -0.30 1.04 -0.23 0.00 0.00 178.00 178.99 1kpq n GLN 121 N -2.55 -0.16 -1.77 0.86 3.00 -1.22 -4.32 117.38 111.23 1kpq n GLN 121 Ca 0.03 1.36 -0.41 0.00 -0.01 0.00 0.00 57.00 57.97 1kpq n GLN 121 Cb 0.36 -2.02 -0.00 0.00 0.00 0.00 0.00 30.24 28.58 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 -5.34 3.81 -3.53 1.08 3.41 -1.20 -4.90 113.62 106.94 1kpq n SER 122 Ca 0.11 1.22 -0.09 0.00 -0.26 0.00 0.00 58.87 59.85 1kpq n SER 122 Cb 0.38 -1.62 -0.03 0.00 -0.26 0.00 0.00 64.21 62.69 1kpq n SER 122 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1kpq s ASP 123 N -0.03 -0.35 0.06 4.04 1.01 -1.26 -4.67 116.67 115.48 1kpq s ASP 123 Ca 0.55 0.13 -0.29 0.00 0.71 0.00 0.00 52.55 53.65 1kpq s ASP 123 Cb -0.48 0.34 -0.14 0.00 1.01 0.00 0.00 42.92 43.65 1kpq s ASP 123 CO 0.61 -0.50 1.44 -0.07 0.21 0.00 0.00 175.17 176.87 1kpq h LEU 124 N 2.18 -1.08 -0.19 1.23 4.07 -1.97 1.57 115.31 121.12 1kpq h LEU 124 Ca -0.20 0.08 0.05 0.00 0.08 0.00 0.00 57.88 57.89 1kpq h LEU 124 Cb 1.21 0.34 -0.07 0.00 1.08 0.00 0.00 40.66 43.22 1kpq h LEU 124 CO 0.30 -0.56 -0.35 -0.07 -1.08 0.00 0.00 178.44 176.68 1kpq h LEU 125 N -0.86 -1.12 -0.80 1.67 4.07 -1.97 0.65 115.31 116.95 1kpq h LEU 125 Ca -0.06 0.17 0.09 0.00 0.08 0.00 0.00 57.88 58.16 1kpq h LEU 125 Cb 0.72 0.48 -0.07 0.00 1.08 0.00 0.00 40.66 42.87 1kpq h LEU 125 CO -0.01 -0.37 0.45 1.23 -1.08 0.00 0.00 178.44 178.66 1kpq h GLY 126 N -0.39 1.23 0.35 0.83 0.00 -1.86 -1.48 103.07 101.75 1kpq h GLY 126 Ca 0.11 -0.30 -0.02 0.00 0.00 0.00 0.00 47.33 47.12 1kpq h GLY 126 CO -0.41 0.12 -0.17 1.41 0.00 0.00 0.00 176.54 177.49 1kpq h LEU 127 N 0.75 -0.40 -1.89 3.11 3.38 0.40 -2.34 115.31 118.32 1kpq h LEU 127 Ca 0.39 0.01 0.55 0.00 0.09 0.00 0.00 57.88 58.92 1kpq h LEU 127 Cb 0.36 0.10 -0.08 0.00 0.09 0.00 0.00 40.66 41.14 1kpq h LEU 127 CO -0.25 -0.27 1.40 -0.38 0.09 0.00 0.00 178.44 179.04 1kpq n ILE 128 N -3.39 0.00 0.46 1.22 2.08 0.21 0.97 119.36 120.91 1kpq n ILE 128 Ca -0.06 1.46 -0.19 0.00 0.56 0.00 0.00 62.75 64.52 1kpq n ILE 128 Cb 0.19 -2.45 -0.09 0.00 -0.75 0.00 0.00 39.64 36.54 1kpq n ILE 128 CO 0.00 0.00 0.00 -0.61 0.56 0.00 0.00 176.55 176.50 1kpq h GLN 129 N 0.00 -1.13 -0.82 0.38 4.15 -0.72 0.68 115.11 117.65 1kpq h GLN 129 Ca 0.90 0.08 0.16 0.00 0.77 0.00 0.00 58.65 60.56 1kpq h GLN 129 Cb 3.70 0.26 -0.15 0.00 0.21 0.00 0.00 27.48 31.49 1kpq h GLN 129 CO -0.01 -0.75 -0.22 -0.24 -1.93 0.00 0.00 178.83 175.68 1kpq h VAL 130 N -1.25 0.17 0.22 2.39 3.04 0.81 0.16 116.25 121.81 1kpq h VAL 130 Ca -0.12 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.57 1kpq h VAL 130 Cb 0.90 0.17 -0.01 0.00 -2.01 0.00 0.00 31.29 30.34 1kpq h VAL 130 CO 0.20 0.00 -0.16 0.24 -1.01 0.00 0.00 177.57 176.83 1kpq h MET 131 N -0.01 -0.38 -1.42 4.17 2.86 -1.34 1.74 114.93 120.56 1kpq h MET 131 Ca 0.39 0.03 0.41 0.00 -2.06 0.00 0.00 59.70 58.46 1kpq h MET 131 Cb 0.60 0.09 -0.07 0.00 0.06 0.00 0.00 31.60 32.28 1kpq h MET 131 CO -0.84 -0.25 1.00 0.82 1.06 0.00 0.00 176.91 178.70 1kpq h ILE 132 N -0.39 0.27 0.00 -1.22 2.04 0.17 1.45 117.51 119.83 1kpq h ILE 132 Ca -0.01 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.83 1kpq h ILE 132 Cb 0.34 0.22 0.00 0.00 -0.74 0.00 0.00 36.82 36.65 1kpq h ILE 132 CO -0.00 0.01 -0.42 0.52 0.00 0.00 0.00 178.15 178.25 1kpq n VAL 133 N -4.20 0.98 -0.32 1.67 0.31 -0.49 -1.11 118.33 115.17 1kpq n VAL 133 Ca 0.32 0.30 0.18 0.00 -0.01 0.00 0.00 64.34 65.13 1kpq n VAL 133 Cb 1.46 -2.10 0.37 0.00 -0.91 0.00 0.00 33.84 32.65 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 -0.68 0.11 0.03 2.52 2.07 0.33 0.81 116.25 121.43 1kpq h VAL 134 Ca 0.00 -0.03 -0.28 0.00 0.82 0.00 0.00 66.70 67.22 1kpq h VAL 134 Cb 0.42 0.03 -0.04 0.00 -1.52 0.00 0.00 31.29 30.18 1kpq h VAL 134 CO 0.00 0.01 -1.53 -0.26 0.02 0.00 0.00 177.57 175.82 1kpq h PHE 135 N 0.07 0.10 0.00 1.57 -1.00 0.19 -3.26 116.94 114.61 1kpq h PHE 135 Ca 0.65 -0.07 -0.00 0.00 2.81 0.00 0.00 57.97 61.35 1kpq h PHE 135 Cb 1.45 -0.00 -0.00 0.00 3.61 0.00 0.00 35.95 41.00 1kpq h PHE 135 CO -0.30 1.11 -0.02 0.78 -1.61 0.00 0.00 178.31 178.26 1kpq h GLY 136 N 2.95 0.00 1.62 -1.45 0.00 0.19 -1.14 103.07 105.25 1kpq h GLY 136 Ca -0.22 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 46.84 1kpq h GLY 136 CO 0.10 0.00 -1.21 -1.80 0.00 0.00 0.00 176.54 173.63 1kpq h ASP 137 N 0.00 0.44 -3.89 0.19 1.82 -0.10 -3.47 116.42 111.41 1kpq h ASP 137 Ca -0.00 -0.45 0.28 0.00 -0.39 0.00 0.00 57.03 56.47 1kpq h ASP 137 Cb 0.04 -0.14 -0.22 0.00 0.68 0.00 0.00 39.33 39.69 1kpq h ASP 137 CO 0.00 1.34 0.91 -1.83 -1.61 0.00 0.00 179.24 178.06 1kpq s GLU 138 N -2.72 0.13 -0.18 0.28 -1.05 -0.43 -5.11 118.70 109.63 1kpq s GLU 138 Ca -0.04 -0.03 -0.29 0.00 -0.15 0.00 0.00 54.97 54.45 1kpq s GLU 138 Cb 0.07 0.06 -0.01 0.00 -0.44 0.00 0.00 34.13 33.81 1kpq s GLU 138 CO 0.88 -0.05 1.26 -1.25 0.95 0.00 0.00 175.26 177.05 1kpq s PRO 139 N -1.90 4.20 0.00 -4.83 0.04 -1.25 -3.94 135.00 127.31 1kpq s PRO 139 Ca 0.10 1.61 0.22 0.00 0.04 0.00 0.00 61.00 62.97 1kpq s PRO 139 Cb -0.01 -3.78 1.28 0.00 0.04 0.00 0.00 34.50 32.04 1kpq s PRO 139 CO -0.04 -0.75 1.68 -0.35 0.04 0.00 0.00 177.00 177.58 1kpq n PRO 140 N 6.68 0.73 0.00 0.56 -0.04 -1.26 -4.33 135.00 137.34 1kpq n PRO 140 Ca 0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 1kpq n PRO 140 Cb 0.45 -1.46 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 1kpq n PRO 140 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1kpq n VAL 141 N -0.96 0.00 -1.06 0.52 0.31 -1.26 -4.45 118.33 111.43 1kpq n VAL 141 Ca 0.16 0.00 0.02 0.00 -0.01 0.00 0.00 64.34 64.51 1kpq n VAL 141 Cb 0.07 0.00 -0.00 0.00 -0.91 0.00 0.00 33.84 33.00 1kpq n VAL 141 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 1kpq n PHE 142 N 0.00 -1.62 -2.65 3.52 7.35 -1.26 -0.70 117.46 122.10 1kpq n PHE 142 Ca 0.00 0.15 -0.02 0.00 -0.76 0.00 0.00 57.45 56.81 1kpq n PHE 142 Cb 0.00 -0.21 0.05 0.00 0.35 0.00 0.00 39.48 39.66 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 -3.94 1.92 -3.57 -2.13 2.88 -1.26 0.15 113.62 107.66 1kpq n SER 143 Ca 0.00 -2.29 -0.14 0.00 -1.33 0.00 0.00 58.87 55.10 1kpq n SER 143 Cb 0.05 -0.44 -0.06 0.00 -0.75 0.00 0.00 64.21 63.02 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 -3.17 0.84 0.00 -1.46 0.52 -1.26 -4.91 118.95 109.51 1kpq s ARG 144 Ca 0.32 0.39 0.24 0.00 -0.52 0.00 0.00 55.73 56.16 1kpq s ARG 144 Cb 0.34 0.40 1.44 0.00 0.52 0.00 0.00 34.95 37.65 1kpq s ARG 144 CO -0.05 -0.22 1.80 -0.35 0.02 0.00 0.00 175.30 176.50