#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kpp n VAL 3 N 0.00 1.90 -0.55 0.00 0.31 -1.26 -5.00 118.33 113.73 1kpp n VAL 3 Ca 0.00 -3.87 -0.29 0.00 -0.01 0.00 0.00 64.34 60.16 1kpp n VAL 3 Cb 0.00 -0.25 0.23 0.00 -0.91 0.00 0.00 33.84 32.91 1kpp n VAL 3 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1kpp n SER 4 N -0.51 -1.14 0.05 4.52 7.64 -1.26 -4.63 113.62 118.30 1kpp n SER 4 Ca 0.27 0.03 0.02 0.00 1.01 0.00 0.00 58.87 60.21 1kpp n SER 4 Cb 0.82 -1.31 0.39 0.00 -1.01 0.00 0.00 64.21 63.10 1kpp n SER 4 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 1kpp h GLU 5 N -2.41 0.41 -0.46 1.43 4.11 -1.98 0.58 114.58 116.26 1kpp h GLU 5 Ca -0.55 -0.06 -0.06 0.00 0.07 0.00 0.00 59.36 58.75 1kpp h GLU 5 Cb 1.31 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.47 1kpp h GLU 5 CO 0.46 0.40 0.04 0.77 0.07 0.00 0.00 179.01 180.75 1kpp h SER 6 N 0.40 0.69 0.72 3.06 0.02 -1.99 0.12 113.55 116.57 1kpp h SER 6 Ca 0.10 -0.14 -0.26 0.00 -0.84 0.00 0.00 61.79 60.65 1kpp h SER 6 Cb 0.20 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 62.52 1kpp h SER 6 CO -0.00 0.73 -1.36 -0.61 -1.14 0.00 0.00 176.83 174.45 1kpp h GLN 7 N 0.69 0.03 -0.01 3.45 4.15 -1.74 -3.14 115.11 118.55 1kpp h GLN 7 Ca 0.14 -0.06 -0.16 0.00 0.77 0.00 0.00 58.65 59.35 1kpp h GLN 7 Cb 0.37 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.07 1kpp h GLN 7 CO 0.01 0.81 -0.71 1.25 -1.93 0.00 0.00 178.83 178.26 1kpp h LEU 8 N 0.01 0.10 -0.08 -2.39 6.46 -0.66 -3.02 115.31 115.73 1kpp h LEU 8 Ca -0.15 -0.07 -0.07 0.00 -0.12 0.00 0.00 57.88 57.47 1kpp h LEU 8 Cb 1.90 -0.03 0.00 0.00 -0.73 0.00 0.00 40.66 41.80 1kpp h LEU 8 CO 0.11 0.78 -0.20 0.11 -0.62 0.00 0.00 178.44 178.61 1kpp h LYS 9 N 0.06 0.28 -0.27 1.25 1.57 -0.84 -3.11 116.57 115.49 1kpp h LYS 9 Ca -0.01 -0.19 0.05 0.00 -1.87 0.00 0.00 60.65 58.62 1kpp h LYS 9 Cb 1.25 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.58 1kpp h LYS 9 CO 0.10 0.80 0.19 -0.22 -0.57 0.00 0.00 179.45 179.75 1kpp h LYS 10 N -0.20 0.15 -0.10 3.15 3.64 -1.59 -0.35 116.57 121.28 1kpp h LYS 10 Ca -0.00 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1kpp h LYS 10 Cb 0.81 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.59 1kpp h LYS 10 CO 0.04 0.10 0.04 1.98 -2.27 0.00 0.00 179.45 179.34 1kpp h MET 11 N 0.16 0.15 -0.69 1.90 4.05 -1.47 -2.81 114.93 116.22 1kpp h MET 11 Ca 0.12 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.51 1kpp h MET 11 Cb 0.28 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.06 1kpp h MET 11 CO -0.02 0.28 0.00 1.33 0.23 0.00 0.00 176.91 178.73 1kpp n VAL 12 N -4.91 1.99 0.03 -5.77 0.24 -0.83 -4.27 118.33 104.80 1kpp n VAL 12 Ca -0.06 -1.01 -0.19 0.00 -2.04 0.00 0.00 64.34 61.04 1kpp n VAL 12 Cb 0.12 -0.32 -0.12 0.00 -1.47 0.00 0.00 33.84 32.06 1kpp n VAL 12 CO 0.00 0.00 0.00 -1.28 -2.14 0.00 0.00 176.83 173.41 1kpp h SER 13 N 2.94 0.64 0.79 -1.34 0.87 -0.80 -3.24 113.55 113.40 1kpp h SER 13 Ca 0.00 -0.79 -0.06 0.00 -1.23 0.00 0.00 61.79 59.71 1kpp h SER 13 Cb 1.56 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 63.32 1kpp h SER 13 CO 0.35 1.35 -0.28 0.50 -0.53 0.00 0.00 176.83 178.22 1kpp h LYS 14 N 0.00 0.00 -6.22 2.24 3.64 -1.74 -3.45 116.57 111.04 1kpp h LYS 14 Ca -0.11 0.00 -0.68 0.00 -1.27 0.00 0.00 60.65 58.59 1kpp h LYS 14 Cb 1.51 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 33.35 1kpp h LYS 14 CO 0.15 0.28 0.92 0.66 -2.27 0.00 0.00 179.45 179.20 1kpp n TYR 15 N -3.52 2.11 -0.17 1.91 4.02 -1.22 -4.84 117.16 115.45 1kpp n TYR 15 Ca -0.00 0.35 0.01 0.00 -0.01 0.00 0.00 57.90 58.25 1kpp n TYR 15 Cb 0.44 -2.52 0.28 0.00 -0.02 0.00 0.00 39.34 37.52 1kpp n TYR 15 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 176.86 175.63 1kpp h LYS 16 N 7.53 0.88 -1.31 -0.72 1.63 -1.85 -2.41 116.57 120.34 1kpp h LYS 16 Ca -0.47 -0.06 -0.66 0.00 -0.85 0.00 0.00 60.65 58.61 1kpp h LYS 16 Cb 1.30 -0.20 -0.34 0.00 -0.60 0.00 0.00 32.23 32.39 1kpp h LYS 16 CO 0.93 0.59 0.23 0.66 -3.45 0.00 0.00 179.45 178.42 1kpp n TYR 17 N -4.43 3.09 -0.08 1.91 4.01 -1.26 -4.79 117.16 115.61 1kpp n TYR 17 Ca 0.07 -2.68 -0.07 0.00 -0.16 0.00 0.00 57.90 55.06 1kpp n TYR 17 Cb 0.04 -0.87 -0.01 0.00 -0.31 0.00 0.00 39.34 38.20 1kpp n TYR 17 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 1kpp h ARG 18 N 2.42 -0.18 -0.69 -0.72 2.43 -1.68 1.14 114.38 117.10 1kpp h ARG 18 Ca 0.49 0.01 0.16 0.00 -0.81 0.00 0.00 59.98 59.83 1kpp h ARG 18 Cb 0.79 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.34 1kpp h ARG 18 CO 1.22 -0.12 0.47 -0.44 -1.51 0.00 0.00 179.97 179.60 1kpp h ASP 19 N -0.18 0.20 0.56 -3.80 3.32 -1.87 0.91 116.42 115.56 1kpp h ASP 19 Ca 0.16 0.01 -0.26 0.00 0.02 0.00 0.00 57.03 56.96 1kpp h ASP 19 Cb 0.43 -0.03 -0.04 0.00 0.22 0.00 0.00 39.33 39.91 1kpp h ASP 19 CO -0.42 0.10 -1.61 0.25 -1.72 0.00 0.00 179.24 175.84 1kpp h LEU 20 N 0.21 0.00 0.04 1.55 6.46 -1.33 -3.15 115.31 119.09 1kpp h LEU 20 Ca 0.33 0.00 -0.09 0.00 -0.12 0.00 0.00 57.88 58.00 1kpp h LEU 20 Cb 1.01 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 40.95 1kpp h LEU 20 CO -0.07 0.90 -0.38 0.74 -0.62 0.00 0.00 178.44 179.01 1kpp h THR 21 N 0.00 1.59 -0.58 1.05 2.02 0.30 -1.46 112.91 115.83 1kpp h THR 21 Ca -0.25 -2.23 -0.07 0.00 0.77 0.00 0.00 66.41 64.64 1kpp h THR 21 Cb 1.91 3.04 -0.02 0.00 -1.74 0.00 0.00 68.15 71.33 1kpp h THR 21 CO 0.07 0.61 0.08 0.58 0.37 0.00 0.00 175.52 177.24 1kpp h VAL 22 N -0.55 1.25 -0.07 3.16 2.07 0.58 -0.04 116.25 122.65 1kpp h VAL 22 Ca -0.06 -0.97 -0.10 0.00 0.82 0.00 0.00 66.70 66.39 1kpp h VAL 22 Cb 1.22 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 31.71 1kpp h VAL 22 CO 0.07 0.36 -0.34 -0.09 0.02 0.00 0.00 177.57 177.59 1kpp h ARG 23 N 0.88 0.35 -0.80 1.57 9.65 -1.65 -2.50 114.38 121.88 1kpp h ARG 23 Ca 0.18 -0.28 -0.03 0.00 -1.10 0.00 0.00 59.98 58.74 1kpp h ARG 23 Cb 0.40 0.06 -0.04 0.00 -1.39 0.00 0.00 29.97 29.01 1kpp h ARG 23 CO 0.01 0.93 0.37 0.93 2.80 0.00 0.00 179.97 185.00 1kpp h GLU 24 N -0.14 1.16 0.78 0.20 4.39 -1.18 -2.17 114.58 117.62 1kpp h GLU 24 Ca -0.02 -0.18 -0.04 0.00 0.34 0.00 0.00 59.36 59.46 1kpp h GLU 24 Cb 0.99 -0.21 0.01 0.00 -0.10 0.00 0.00 28.75 29.44 1kpp h GLU 24 CO 0.07 0.90 -0.37 1.15 -1.16 0.00 0.00 179.01 179.60 1kpp h THR 25 N 1.14 0.10 -0.69 1.13 2.02 -1.03 -2.78 112.91 112.80 1kpp h THR 25 Ca 0.27 -0.18 0.15 0.00 0.77 0.00 0.00 66.41 67.42 1kpp h THR 25 Cb 0.14 0.12 -0.11 0.00 -1.74 0.00 0.00 68.15 66.55 1kpp h THR 25 CO -0.03 0.01 0.04 1.62 0.37 0.00 0.00 175.52 177.53 1kpp h VAL 26 N -1.21 0.45 -0.15 3.16 3.04 -1.40 0.53 116.25 120.66 1kpp h VAL 26 Ca -0.11 -0.05 0.04 0.00 -1.01 0.00 0.00 66.70 65.58 1kpp h VAL 26 Cb 0.82 0.29 -0.01 0.00 -2.01 0.00 0.00 31.29 30.38 1kpp h VAL 26 CO 0.18 0.03 0.15 -1.13 -1.01 0.00 0.00 177.57 175.79 1kpp h ASN 27 N 0.15 0.00 0.85 3.17 -0.73 -1.36 0.87 115.58 118.53 1kpp h ASN 27 Ca 0.37 0.00 -0.20 0.00 1.87 0.00 0.00 56.30 58.34 1kpp h ASN 27 Cb 0.63 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 39.19 1kpp h ASN 27 CO -0.57 0.00 -1.24 0.58 -0.37 0.00 0.00 177.43 175.83 1kpp h VAL 28 N 0.00 0.95 0.00 2.57 2.07 0.30 -3.17 116.25 118.97 1kpp h VAL 28 Ca 0.07 -2.58 -0.28 0.00 0.82 0.00 0.00 66.70 64.74 1kpp h VAL 28 Cb 0.38 2.41 -0.05 0.00 -1.52 0.00 0.00 31.29 32.51 1kpp h VAL 28 CO -0.00 0.54 -1.73 -0.38 0.02 0.00 0.00 177.57 176.02 1kpp n ILE 29 N -3.10 1.51 -0.05 4.57 5.41 -0.26 -2.92 119.36 124.51 1kpp n ILE 29 Ca -0.07 -0.78 -0.13 0.00 1.00 0.00 0.00 62.75 62.76 1kpp n ILE 29 Cb 0.91 -0.93 -0.07 0.00 -0.71 0.00 0.00 39.64 38.84 1kpp n ILE 29 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 1kpp h THR 30 N 0.00 1.35 -0.22 1.39 2.02 0.55 -3.27 112.91 114.73 1kpp h THR 30 Ca -0.29 -1.29 -0.19 0.00 0.77 0.00 0.00 66.41 65.42 1kpp h THR 30 Cb 1.96 1.88 0.00 0.00 -1.74 0.00 0.00 68.15 70.25 1kpp h THR 30 CO 0.07 0.38 -0.59 0.25 0.37 0.00 0.00 175.52 175.99 1kpp h LEU 31 N -0.04 0.90 -8.62 2.58 7.12 -1.72 -3.42 115.31 112.11 1kpp h LEU 31 Ca 0.02 -0.58 -0.67 0.00 0.13 0.00 0.00 57.88 56.79 1kpp h LEU 31 Cb 0.66 -0.26 -0.21 0.00 -0.53 0.00 0.00 40.66 40.31 1kpp h LEU 31 CO 0.03 1.31 -0.55 -0.31 -0.13 0.00 0.00 178.44 178.80 1kpp s TYR 32 N -3.96 3.18 -0.45 1.25 2.02 -1.15 -4.96 117.35 113.29 1kpp s TYR 32 Ca -0.11 -0.44 0.03 0.00 -0.37 0.00 0.00 57.07 56.18 1kpp s TYR 32 Cb 0.09 -2.37 0.61 0.00 -0.40 0.00 0.00 41.96 39.89 1kpp s TYR 32 CO 0.88 -0.41 1.88 1.63 -1.57 0.00 0.00 175.55 177.97 1kpp n LYS 33 N 5.01 2.22 -0.52 -0.62 4.01 -1.26 -4.14 118.16 122.86 1kpp n LYS 33 Ca -0.14 -2.87 0.05 0.00 -0.51 0.00 0.00 58.31 54.85 1kpp n LYS 33 Cb 0.50 -2.12 0.08 0.00 -0.51 0.00 0.00 35.03 32.98 1kpp n LYS 33 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 1kpp n ASP 34 N -1.03 1.23 -4.62 4.39 9.92 -1.26 -5.07 116.55 120.11 1kpp n ASP 34 Ca 0.57 -2.67 -0.25 0.00 -0.53 0.00 0.00 54.79 51.91 1kpp n ASP 34 Cb 1.52 -0.35 -0.09 0.00 -0.64 0.00 0.00 41.12 41.56 1kpp n ASP 34 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1kpp s LEU 35 N -1.49 2.93 -0.04 0.64 2.01 -1.26 -1.98 118.68 119.50 1kpp s LEU 35 Ca 0.22 -1.08 -0.02 0.00 0.01 0.00 0.00 54.13 53.26 1kpp s LEU 35 Cb 0.21 -1.24 0.03 0.00 0.01 0.00 0.00 46.19 45.20 1kpp s LEU 35 CO -0.03 -0.28 0.05 -0.75 1.01 0.00 0.00 176.35 176.35 1kpp s LYS 36 N -3.71 -0.05 0.08 1.70 2.47 0.29 -4.94 119.74 115.58 1kpp s LYS 36 Ca 0.35 0.33 -0.31 0.00 -1.56 0.00 0.00 55.97 54.78 1kpp s LYS 36 Cb 0.02 -0.48 -0.07 0.00 -1.46 0.00 0.00 37.83 35.84 1kpp s LYS 36 CO 0.19 -0.30 1.44 -1.25 0.16 0.00 0.00 175.35 175.59 1kpp s PRO 37 N 1.95 4.29 0.26 4.03 0.04 -1.26 -1.52 135.00 142.79 1kpp s PRO 37 Ca 0.02 2.10 0.09 0.00 0.04 0.00 0.00 61.00 63.25 1kpp s PRO 37 Cb -0.12 -3.38 -0.05 0.00 0.04 0.00 0.00 34.50 30.98 1kpp s PRO 37 CO -0.03 -0.53 -0.13 0.08 0.04 0.00 0.00 177.00 176.44 1kpp s VAL 38 N 1.68 1.97 -0.21 -0.36 1.01 0.26 -4.91 120.40 119.83 1kpp s VAL 38 Ca 0.66 -2.24 -0.04 0.00 0.00 0.00 0.00 61.98 60.37 1kpp s VAL 38 Cb -0.36 -2.31 0.10 0.00 0.00 0.00 0.00 36.38 33.82 1kpp s VAL 38 CO 0.29 -0.41 0.26 -0.22 0.00 0.00 0.00 175.10 175.03 1kpp s LEU 39 N -3.44 -0.25 0.00 3.92 1.98 -1.26 -2.15 118.68 117.48 1kpp s LEU 39 Ca 0.28 -0.10 0.06 0.00 -2.89 0.00 0.00 54.13 51.48 1kpp s LEU 39 Cb -0.00 0.58 -0.02 0.00 0.66 0.00 0.00 46.19 47.42 1kpp s LEU 39 CO 0.12 -0.32 -0.19 -0.62 -1.89 0.00 0.00 176.35 173.45 1kpp s ASP 40 N 2.39 2.24 -0.32 3.68 -1.08 -1.00 -5.01 116.67 117.56 1kpp s ASP 40 Ca 0.08 -0.39 -0.18 0.00 -0.52 0.00 0.00 52.55 51.55 1kpp s ASP 40 Cb -0.16 -0.23 -0.01 0.00 -1.46 0.00 0.00 42.92 41.06 1kpp s ASP 40 CO -0.13 0.21 0.51 -0.44 0.52 0.00 0.00 175.17 175.84 1kpp s SER 41 N -0.64 6.34 -0.04 -0.34 0.01 -1.26 -2.51 113.70 115.26 1kpp s SER 41 Ca 0.07 0.13 -0.18 0.00 1.31 0.00 0.00 55.95 57.28 1kpp s SER 41 Cb -0.08 -2.27 -0.05 0.00 0.21 0.00 0.00 66.02 63.83 1kpp s SER 41 CO -0.00 -0.42 0.49 -0.47 0.41 0.00 0.00 173.24 173.25 1kpp s TYR 42 N 2.37 3.65 0.65 2.43 5.04 -0.78 -4.79 117.35 125.92 1kpp s TYR 42 Ca 0.19 1.03 -0.06 0.00 -2.44 0.00 0.00 57.07 55.79 1kpp s TYR 42 Cb -0.15 -2.48 0.03 0.00 0.35 0.00 0.00 41.96 39.71 1kpp s TYR 42 CO 0.12 0.40 0.96 0.14 -1.34 0.00 0.00 175.55 175.83 1kpp s VAL 43 N -0.26 2.99 0.03 3.14 -7.23 -1.26 -1.70 120.40 116.12 1kpp s VAL 43 Ca 0.27 -0.10 0.02 0.00 -1.81 0.00 0.00 61.98 60.35 1kpp s VAL 43 Cb -0.17 -3.24 -0.02 0.00 0.56 0.00 0.00 36.38 33.51 1kpp s VAL 43 CO 0.14 -0.25 -0.06 -0.36 -0.31 0.00 0.00 175.10 174.25 1kpp s PHE 44 N -3.13 0.56 0.00 2.82 0.08 -1.15 -4.86 117.98 112.30 1kpp s PHE 44 Ca 0.57 -0.45 0.00 0.00 0.12 0.00 0.00 56.93 57.17 1kpp s PHE 44 Cb -0.11 -0.34 0.00 0.00 -0.57 0.00 0.00 43.02 42.00 1kpp s PHE 44 CO 0.45 -0.09 0.00 -1.71 -0.10 0.00 0.00 175.22 173.77 1kpp n ASN 45 N 1.67 0.00 0.00 1.36 5.15 -1.26 -1.64 115.26 120.54 1kpp n ASN 45 Ca -0.22 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.76 1kpp n ASN 45 Cb 0.55 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.80 1kpp n ASN 45 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 1kpp n ASP 46 N 1.58 0.00 -0.83 1.20 5.68 -1.26 -4.99 116.55 117.93 1kpp n ASP 46 Ca 0.00 0.00 0.01 0.00 -0.50 0.00 0.00 54.79 54.30 1kpp n ASP 46 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1kpp n ASP 46 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1kpp n GLY 47 N 0.00 0.68 4.02 6.12 0.00 -1.12 -5.10 105.19 109.79 1kpp n GLY 47 Ca 0.00 -0.27 -0.19 0.00 0.00 0.00 0.00 46.02 45.56 1kpp n GLY 47 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1kpp s SER 48 N -1.27 5.29 0.13 1.61 0.15 -0.65 -4.92 113.70 114.04 1kpp s SER 48 Ca 0.11 -0.67 -0.09 0.00 0.70 0.00 0.00 55.95 56.00 1kpp s SER 48 Cb 0.12 -0.08 -0.00 0.00 -1.71 0.00 0.00 66.02 64.35 1kpp s SER 48 CO -0.05 -1.14 0.24 -0.44 1.20 0.00 0.00 173.24 173.05 1kpp s SER 49 N -4.55 0.08 -0.17 5.45 0.01 -1.26 -2.93 113.70 110.33 1kpp s SER 49 Ca 0.59 -0.76 -0.30 0.00 1.31 0.00 0.00 55.95 56.79 1kpp s SER 49 Cb -0.07 0.39 0.13 0.00 0.21 0.00 0.00 66.02 66.68 1kpp s SER 49 CO 0.37 -0.81 1.03 -0.13 0.41 0.00 0.00 173.24 174.10 1kpp s ARG 50 N -3.92 0.55 -0.44 12.44 0.52 -0.69 -4.84 118.95 122.58 1kpp s ARG 50 Ca 0.11 0.12 -0.26 0.00 -0.52 0.00 0.00 55.73 55.18 1kpp s ARG 50 Cb 0.04 0.26 0.02 0.00 0.52 0.00 0.00 34.95 35.80 1kpp s ARG 50 CO -0.05 -0.17 0.97 -2.00 0.02 0.00 0.00 175.30 174.06 1kpp s GLU 51 N -1.15 3.64 -0.19 3.54 2.12 -1.26 -1.87 118.70 123.52 1kpp s GLU 51 Ca -0.01 0.34 0.01 0.00 0.36 0.00 0.00 54.97 55.68 1kpp s GLU 51 Cb -0.00 -3.89 0.04 0.00 0.26 0.00 0.00 34.13 30.53 1kpp s GLU 51 CO 0.01 -1.19 -0.13 -0.51 -0.54 0.00 0.00 175.26 172.89 1kpp s LEU 52 N 3.83 2.30 0.35 2.70 2.01 -1.05 -4.80 118.68 124.01 1kpp s LEU 52 Ca 0.39 -0.83 -0.21 0.00 0.01 0.00 0.00 54.13 53.49 1kpp s LEU 52 Cb -0.10 -1.32 -0.10 0.00 0.01 0.00 0.00 46.19 44.68 1kpp s LEU 52 CO 0.26 -0.10 0.87 -0.32 1.01 0.00 0.00 176.35 178.07 1kpp s MET 53 N 1.35 4.29 -0.07 1.70 -2.45 -1.26 -2.37 119.30 120.48 1kpp s MET 53 Ca 0.00 1.06 -0.11 0.00 -1.25 0.00 0.00 55.69 55.39 1kpp s MET 53 Cb -0.15 -2.51 0.02 0.00 1.25 0.00 0.00 34.83 33.44 1kpp s MET 53 CO -0.09 0.16 0.28 0.54 1.05 0.00 0.00 175.02 176.95 1kpp s ASN 54 N -1.96 -0.23 -0.27 1.11 4.22 -0.91 -2.60 114.94 114.29 1kpp s ASN 54 Ca 0.54 0.36 -0.06 0.00 -2.14 0.00 0.00 52.86 51.56 1kpp s ASN 54 Cb -0.13 0.47 0.00 0.00 1.28 0.00 0.00 41.25 42.87 1kpp s ASN 54 CO 0.18 -0.23 0.05 -0.76 -2.04 0.00 0.00 177.10 174.31 1kpp s LEU 55 N -0.43 3.61 0.05 3.54 1.43 -0.88 -0.57 118.68 125.42 1kpp s LEU 55 Ca -0.05 -0.58 0.07 0.00 -1.03 0.00 0.00 54.13 52.54 1kpp s LEU 55 Cb -0.04 -1.86 -0.03 0.00 0.03 0.00 0.00 46.19 44.29 1kpp s LEU 55 CO 0.02 -0.14 -0.19 -0.89 0.23 0.00 0.00 176.35 175.39 1kpp s THR 56 N 1.51 2.76 0.00 5.49 2.01 -0.58 0.02 115.64 126.85 1kpp s THR 56 Ca 0.04 -1.23 0.00 0.00 0.31 0.00 0.00 61.69 60.81 1kpp s THR 56 Cb -0.16 -2.17 0.00 0.00 0.01 0.00 0.00 72.50 70.18 1kpp s THR 56 CO 0.02 0.32 0.00 0.61 -0.69 0.00 0.00 174.62 174.87 1kpp n GLY 57 N 1.49 0.28 3.90 4.40 0.00 -0.91 0.11 105.19 114.46 1kpp n GLY 57 Ca -0.16 -1.22 -0.33 0.00 0.00 0.00 0.00 46.02 44.31 1kpp n GLY 57 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1kpp s THR 58 N -2.00 5.37 -0.30 2.61 -4.23 -0.84 -0.39 115.64 115.86 1kpp s THR 58 Ca 0.00 -0.25 -0.08 0.00 -1.18 0.00 0.00 61.69 60.19 1kpp s THR 58 Cb 0.00 -3.54 0.01 0.00 1.34 0.00 0.00 72.50 70.31 1kpp s THR 58 CO 0.00 0.27 0.10 -0.63 -0.54 0.00 0.00 174.62 173.82 1kpp s ILE 59 N -1.37 4.12 -0.55 2.99 1.01 -0.44 -4.39 121.20 122.57 1kpp s ILE 59 Ca 0.29 -0.67 -0.25 0.00 0.00 0.00 0.00 60.65 60.03 1kpp s ILE 59 Cb -0.13 -3.14 -0.22 0.00 0.01 0.00 0.00 42.46 38.98 1kpp s ILE 59 CO 0.21 0.05 1.83 -0.81 0.00 0.00 0.00 174.94 176.22 1kpp n PRO 60 N 4.89 1.06 -3.34 2.79 -0.04 -1.25 -2.76 135.00 136.35 1kpp n PRO 60 Ca -0.14 -1.60 -0.35 0.00 -0.04 0.00 0.00 63.50 61.36 1kpp n PRO 60 Cb 0.48 -2.80 -0.06 0.00 -0.04 0.00 0.00 33.50 31.08 1kpp n PRO 60 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1kpp s VAL 61 N 5.66 4.83 0.69 0.52 -7.23 -0.72 -4.76 120.40 119.39 1kpp s VAL 61 Ca 0.61 0.87 -0.15 0.00 -1.81 0.00 0.00 61.98 61.50 1kpp s VAL 61 Cb 0.14 -3.75 0.02 0.00 0.56 0.00 0.00 36.38 33.35 1kpp s VAL 61 CO 0.19 0.26 1.17 -2.16 -0.31 0.00 0.00 175.10 174.24 1kpp s PRO 62 N -1.92 2.47 -0.28 4.82 0.04 -1.26 -0.30 135.00 138.58 1kpp s PRO 62 Ca 0.38 1.64 0.00 0.00 0.04 0.00 0.00 61.00 63.06 1kpp s PRO 62 Cb -0.15 -1.89 0.16 0.00 0.04 0.00 0.00 34.50 32.66 1kpp s PRO 62 CO 0.19 -1.55 0.46 -0.47 0.04 0.00 0.00 177.00 175.67 1kpp s TYR 63 N -2.06 -1.18 -1.80 0.56 5.04 0.30 -4.44 117.35 113.77 1kpp s TYR 63 Ca 0.72 0.90 0.00 0.00 -2.44 0.00 0.00 57.07 56.25 1kpp s TYR 63 Cb -0.26 0.12 0.00 0.00 0.35 0.00 0.00 41.96 42.17 1kpp s TYR 63 CO 0.42 -0.88 0.00 0.54 -1.34 0.00 0.00 175.55 174.29 1kpp n ARG 64 N 5.38 -1.62 -0.40 4.97 3.00 -1.26 -1.10 116.66 125.62 1kpp n ARG 64 Ca -0.01 1.02 0.00 0.00 -0.01 0.00 0.00 57.85 58.85 1kpp n ARG 64 Cb 0.51 -5.64 0.00 0.00 0.00 0.00 0.00 32.46 27.33 1kpp n ARG 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1kpp n GLY 65 N -0.97 0.73 3.74 -0.13 0.00 -1.26 -5.05 105.19 102.25 1kpp n GLY 65 Ca -0.24 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.45 1kpp n GLY 65 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1kpp s ASN 66 N -2.65 4.03 -0.17 1.61 3.84 -0.26 -5.12 114.94 116.22 1kpp s ASN 66 Ca 0.00 -1.66 -0.11 0.00 0.21 0.00 0.00 52.86 51.30 1kpp s ASN 66 Cb 0.00 0.52 -0.05 0.00 -0.55 0.00 0.00 41.25 41.17 1kpp s ASN 66 CO 0.00 -0.86 0.19 -0.89 -2.79 0.00 0.00 177.10 172.76 1kpp s THR 67 N -2.90 5.38 0.27 -5.21 2.01 -1.26 0.11 115.64 114.03 1kpp s THR 67 Ca 0.07 0.33 0.08 0.00 0.31 0.00 0.00 61.69 62.48 1kpp s THR 67 Cb 0.02 -3.52 -0.06 0.00 0.01 0.00 0.00 72.50 68.95 1kpp s THR 67 CO 0.04 0.45 -0.10 -0.31 -0.69 0.00 0.00 174.62 174.01 1kpp s TYR 68 N 0.18 2.01 -0.14 4.92 1.51 0.59 -4.85 117.35 121.57 1kpp s TYR 68 Ca 0.12 -0.59 0.02 0.00 -1.01 0.00 0.00 57.07 55.61 1kpp s TYR 68 Cb -0.12 -1.07 0.01 0.00 -0.11 0.00 0.00 41.96 40.68 1kpp s TYR 68 CO 0.01 0.41 -0.19 0.54 -1.11 0.00 0.00 175.55 175.21 1kpp s ASN 69 N -3.45 2.91 -0.30 2.29 4.22 -1.26 -1.75 114.94 117.59 1kpp s ASN 69 Ca 0.28 -0.56 0.02 0.00 -2.14 0.00 0.00 52.86 50.47 1kpp s ASN 69 Cb 0.01 -1.34 0.09 0.00 1.28 0.00 0.00 41.25 41.29 1kpp s ASN 69 CO 0.12 0.03 0.02 -0.63 -2.04 0.00 0.00 177.10 174.60 1kpp s ILE 70 N 1.03 1.89 0.17 0.54 -1.09 -1.11 -4.84 121.20 117.78 1kpp s ILE 70 Ca -0.03 -1.88 -0.30 0.00 -2.23 0.00 0.00 60.65 56.20 1kpp s ILE 70 Cb -0.15 -2.30 -0.08 0.00 -1.58 0.00 0.00 42.46 38.36 1kpp s ILE 70 CO -0.05 -0.44 1.31 -2.16 -1.23 0.00 0.00 174.94 172.37 1kpp s PRO 71 N 1.14 4.38 0.17 2.79 0.04 -1.26 -1.32 135.00 140.94 1kpp s PRO 71 Ca 0.05 2.03 -0.04 0.00 0.04 0.00 0.00 61.00 63.08 1kpp s PRO 71 Cb -0.19 -3.22 -0.03 0.00 0.04 0.00 0.00 34.50 31.10 1kpp s PRO 71 CO -0.10 -0.29 0.17 0.96 0.04 0.00 0.00 177.00 177.78 1kpp s ILE 72 N 0.39 0.06 -0.03 0.56 -4.36 0.47 -3.32 121.20 114.96 1kpp s ILE 72 Ca 0.58 -1.76 0.03 0.00 -0.26 0.00 0.00 60.65 59.24 1kpp s ILE 72 Cb -0.36 -2.14 0.00 0.00 1.25 0.00 0.00 42.46 41.22 1kpp s ILE 72 CO 0.36 -0.25 -0.10 0.00 0.24 0.00 0.00 174.94 175.18 1kpp s LEU 74 N 0.28 3.50 0.03 0.00 0.20 0.10 -1.05 118.68 121.74 1kpp s LEU 74 Ca -0.05 0.08 0.06 0.00 0.69 0.00 0.00 54.13 54.91 1kpp s LEU 74 Cb -0.10 -1.81 -0.03 0.00 -0.43 0.00 0.00 46.19 43.82 1kpp s LEU 74 CO 0.01 0.33 -0.17 0.26 -0.29 0.00 0.00 176.35 176.50 1kpp s TRP 75 N -0.61 2.60 0.07 5.38 0.23 0.26 -2.07 118.94 124.80 1kpp s TRP 75 Ca 0.10 -0.23 -0.00 0.00 -2.03 0.00 0.00 56.10 53.94 1kpp s TRP 75 Cb -0.12 -1.49 -0.04 0.00 0.03 0.00 0.00 33.47 31.85 1kpp s TRP 75 CO 0.02 0.25 -0.04 -0.51 0.96 0.00 0.00 176.95 177.63 1kpp s LEU 76 N -1.35 2.49 0.17 2.99 1.02 -1.07 -1.93 118.68 121.00 1kpp s LEU 76 Ca 0.14 -1.00 0.02 0.00 0.02 0.00 0.00 54.13 53.31 1kpp s LEU 76 Cb -0.11 0.10 -0.05 0.00 0.02 0.00 0.00 46.19 46.16 1kpp s LEU 76 CO 0.05 -0.55 -0.01 -1.48 0.02 0.00 0.00 176.35 174.38 1kpp s LEU 77 N -2.97 2.17 -0.02 1.79 -0.00 -1.26 -4.42 118.68 113.97 1kpp s LEU 77 Ca 0.09 -1.15 -0.20 0.00 -0.00 0.00 0.00 54.13 52.87 1kpp s LEU 77 Cb 0.07 -0.07 -0.31 0.00 -0.00 0.00 0.00 46.19 45.88 1kpp s LEU 77 CO -0.08 -0.55 0.95 0.44 -0.00 0.00 0.00 176.35 177.12 1kpp h ASP 78 N 2.72 0.57 0.00 1.48 5.19 -1.94 -3.45 116.42 120.99 1kpp h ASP 78 Ca -0.37 -0.91 0.00 0.00 -0.62 0.00 0.00 57.03 55.13 1kpp h ASP 78 Cb 1.20 -0.18 0.00 0.00 0.18 0.00 0.00 39.33 40.53 1kpp h ASP 78 CO 0.63 1.44 0.00 1.07 -3.12 0.00 0.00 179.24 179.26 1kpp n THR 79 N -4.04 0.00 -3.66 0.35 5.66 -1.26 -3.12 114.28 108.21 1kpp n THR 79 Ca -0.14 0.00 -0.15 0.00 -3.05 0.00 0.00 64.05 60.71 1kpp n THR 79 Cb 0.86 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.57 1kpp n THR 79 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 175.07 171.71 1kpp s TYR 80 N 0.00 -0.36 -0.00 1.09 1.51 -1.26 -4.69 117.35 113.64 1kpp s TYR 80 Ca 0.00 0.53 -0.20 0.00 -1.01 0.00 0.00 57.07 56.39 1kpp s TYR 80 Cb 0.00 0.23 -0.25 0.00 -0.11 0.00 0.00 41.96 41.83 1kpp s TYR 80 CO 0.00 -0.51 1.06 -1.00 -1.11 0.00 0.00 175.55 173.99 1kpp h PRO 81 N 3.35 0.41 0.00 -1.71 0.13 -2.00 -3.43 132.00 128.75 1kpp h PRO 81 Ca -0.29 -0.48 0.00 0.00 -0.87 0.00 0.00 66.00 64.36 1kpp h PRO 81 Cb 1.17 0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1kpp h PRO 81 CO 0.41 1.15 -0.74 0.66 -0.23 0.00 0.00 178.00 179.24 1kpp n TYR 82 N -4.17 0.00 0.00 1.56 4.01 -1.26 -5.08 117.16 112.21 1kpp n TYR 82 Ca -0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.63 1kpp n TYR 82 Cb 0.72 -0.37 0.00 0.00 -0.31 0.00 0.00 39.34 39.38 1kpp n TYR 82 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1kpp n ASN 83 N -4.13 0.00 -4.37 7.72 4.05 -1.26 -4.98 115.26 112.30 1kpp n ASN 83 Ca -0.10 0.00 -0.53 0.00 0.45 0.00 0.00 54.58 54.39 1kpp n ASN 83 Cb 0.38 0.00 -0.10 0.00 1.23 0.00 0.00 39.78 41.30 1kpp n ASN 83 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 177.26 171.56 1kpp n PRO 84 N 0.00 0.49 -1.57 1.20 -0.02 -1.26 -4.77 135.00 129.07 1kpp n PRO 84 Ca 0.00 0.12 -0.41 0.00 -2.02 0.00 0.00 63.50 61.19 1kpp n PRO 84 Cb 0.00 -1.98 0.02 0.00 -0.02 0.00 0.00 33.50 31.52 1kpp n PRO 84 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1kpp n PRO 85 N 7.95 1.10 -3.08 0.52 -0.02 -1.26 -4.99 135.00 135.22 1kpp n PRO 85 Ca 0.50 0.40 -0.25 0.00 -2.02 0.00 0.00 63.50 62.12 1kpp n PRO 85 Cb 0.10 -1.93 -0.01 0.00 -0.02 0.00 0.00 33.50 31.64 1kpp n PRO 85 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1kpp s ILE 86 N -1.36 5.02 -0.05 4.25 1.01 -0.81 -4.93 121.20 124.33 1kpp s ILE 86 Ca 0.65 -0.20 -0.04 0.00 0.00 0.00 0.00 60.65 61.06 1kpp s ILE 86 Cb -0.55 -3.86 0.02 0.00 0.01 0.00 0.00 42.46 38.08 1kpp s ILE 86 CO 0.56 -0.68 0.13 0.00 0.00 0.00 0.00 174.94 174.95 1kpp s PHE 88 N 0.33 0.05 0.28 0.00 0.08 -0.21 -3.62 117.98 114.88 1kpp s PHE 88 Ca -0.02 -0.09 -0.20 0.00 0.12 0.00 0.00 56.93 56.74 1kpp s PHE 88 Cb -0.03 -0.05 -0.09 0.00 -0.57 0.00 0.00 43.02 42.28 1kpp s PHE 88 CO -0.01 -0.08 0.78 0.14 -0.10 0.00 0.00 175.22 175.95 1kpp s VAL 89 N -0.48 4.51 -0.49 -0.44 -7.23 -1.13 0.04 120.40 115.19 1kpp s VAL 89 Ca -0.05 1.32 0.07 0.00 -1.81 0.00 0.00 61.98 61.51 1kpp s VAL 89 Cb -0.03 -3.81 0.23 0.00 0.56 0.00 0.00 36.38 33.33 1kpp s VAL 89 CO -0.00 0.07 0.55 1.17 -0.31 0.00 0.00 175.10 176.58 1kpp n LYS 90 N 0.34 1.21 -0.67 4.82 3.00 -1.21 -4.78 118.16 120.88 1kpp n LYS 90 Ca 0.01 -3.70 -0.32 0.00 -0.00 0.00 0.00 58.31 54.30 1kpp n LYS 90 Cb 0.52 -1.64 0.17 0.00 0.00 0.00 0.00 35.03 34.07 1kpp n LYS 90 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 1kpp n PRO 91 N 1.51 -1.65 -3.22 1.64 -0.02 -1.26 -4.48 135.00 127.52 1kpp n PRO 91 Ca 0.25 -0.47 -0.21 0.00 -2.02 0.00 0.00 63.50 61.05 1kpp n PRO 91 Cb 0.48 -1.64 0.04 0.00 -0.02 0.00 0.00 33.50 32.35 1kpp n PRO 91 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1kpp s THR 92 N -2.20 2.19 0.18 3.45 -4.23 -1.26 -5.02 115.64 108.74 1kpp s THR 92 Ca 0.53 -1.11 0.16 0.00 -1.18 0.00 0.00 61.69 60.09 1kpp s THR 92 Cb -0.10 -2.30 0.08 0.00 1.34 0.00 0.00 72.50 71.52 1kpp s THR 92 CO 0.63 0.00 1.68 0.28 -0.54 0.00 0.00 174.62 176.67 1kpp h SER 93 N 0.39 0.00 0.49 3.99 0.02 -2.00 -2.79 113.55 113.66 1kpp h SER 93 Ca -0.33 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.62 1kpp h SER 93 Cb 1.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.83 1kpp h SER 93 CO 0.45 0.46 0.00 -0.24 -1.14 0.00 0.00 176.83 176.36 1kpp n SER 94 N -3.58 0.00 -2.03 3.07 2.88 -1.26 -4.86 113.62 107.84 1kpp n SER 94 Ca -0.00 -0.07 -0.08 0.00 -1.33 0.00 0.00 58.87 57.39 1kpp n SER 94 Cb 0.56 -0.29 -0.02 0.00 -0.75 0.00 0.00 64.21 63.70 1kpp n SER 94 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 1kpp n MET 95 N -1.29 0.30 -0.94 -1.46 2.00 -1.05 -4.98 117.12 109.71 1kpp n MET 95 Ca 0.12 -1.48 0.00 0.00 0.00 0.00 0.00 57.70 56.34 1kpp n MET 95 Cb 0.21 1.35 0.00 0.00 0.00 0.00 0.00 33.22 34.77 1kpp n MET 95 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 175.97 173.60 1kpp n THR 96 N -0.30 0.00 -3.71 2.03 5.66 -1.15 -4.44 114.28 112.37 1kpp n THR 96 Ca 0.01 0.00 -0.38 0.00 -3.05 0.00 0.00 64.05 60.64 1kpp n THR 96 Cb 0.29 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 68.97 1kpp n THR 96 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 175.07 171.51 1kpp s ILE 97 N -1.02 3.56 -0.31 1.09 2.07 -1.26 -4.31 121.20 121.02 1kpp s ILE 97 Ca 0.00 -2.01 -0.29 0.00 -1.41 0.00 0.00 60.65 56.94 1kpp s ILE 97 Cb 0.00 -3.41 0.00 0.00 0.13 0.00 0.00 42.46 39.18 1kpp s ILE 97 CO 0.00 -0.72 1.34 -0.75 -1.91 0.00 0.00 174.94 172.90 1kpp s LYS 98 N 1.17 3.86 0.18 3.50 2.20 0.12 -4.99 119.74 125.78 1kpp s LYS 98 Ca 0.08 1.23 -0.30 0.00 -0.36 0.00 0.00 55.97 56.62 1kpp s LYS 98 Cb -0.24 -3.91 -0.08 0.00 -1.51 0.00 0.00 37.83 32.09 1kpp s LYS 98 CO -0.03 -1.20 1.20 0.95 -0.36 0.00 0.00 175.35 175.91 1kpp s THR 99 N 4.58 3.56 0.00 3.43 -4.23 -1.26 -4.71 115.64 117.01 1kpp s THR 99 Ca 0.58 1.31 0.00 0.00 -1.18 0.00 0.00 61.69 62.40 1kpp s THR 99 Cb -0.17 -3.84 0.00 0.00 1.34 0.00 0.00 72.50 69.83 1kpp s THR 99 CO 0.25 0.21 0.00 0.61 -0.54 0.00 0.00 174.62 175.15 1kpp n GLY 100 N 2.21 3.73 0.10 3.99 0.00 -1.26 -4.93 105.19 109.03 1kpp n GLY 100 Ca 0.04 -0.37 -0.11 0.00 0.00 0.00 0.00 46.02 45.58 1kpp n GLY 100 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1kpp n LYS 101 N 0.00 0.69 -0.01 1.61 4.76 -1.26 -4.55 118.16 119.40 1kpp n LYS 101 Ca 0.00 0.02 -0.01 0.00 -2.87 0.00 0.00 58.31 55.45 1kpp n LYS 101 Cb 0.00 -1.52 -0.01 0.00 -1.84 0.00 0.00 35.03 31.66 1kpp n LYS 101 CO 0.00 0.00 0.00 -2.39 -1.37 0.00 0.00 177.40 173.64 1kpp n HIS 102 N -2.83 0.00 0.18 2.13 1.44 -1.26 -4.64 115.22 110.23 1kpp n HIS 102 Ca -0.35 0.00 0.16 0.00 -2.01 0.00 0.00 57.72 55.52 1kpp n HIS 102 Cb 1.13 -0.09 0.77 0.00 0.12 0.00 0.00 29.99 31.93 1kpp n HIS 102 CO 0.00 0.00 0.00 0.28 -2.81 0.00 0.00 176.34 173.81 1kpp h VAL 103 N 0.00 0.63 -0.24 0.61 2.07 -1.84 -3.22 116.25 114.26 1kpp h VAL 103 Ca -0.05 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.47 1kpp h VAL 103 Cb 1.08 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 31.71 1kpp h VAL 103 CO 0.00 0.00 0.00 -0.67 0.02 0.00 0.00 177.57 176.92 1kpp n ASP 104 N -4.06 -0.73 -0.10 0.57 -0.08 -1.26 -2.16 116.55 108.72 1kpp n ASP 104 Ca 0.02 0.00 -0.15 0.00 -1.51 0.00 0.00 54.79 53.15 1kpp n ASP 104 Cb 0.32 0.00 -0.09 0.00 2.34 0.00 0.00 41.12 43.68 1kpp n ASP 104 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1kpp n ALA 105 N 3.82 1.56 0.99 -1.67 0.00 -1.26 -4.23 120.51 119.72 1kpp n ALA 105 Ca 0.00 -0.88 0.11 0.00 0.00 0.00 0.00 53.44 52.68 1kpp n ALA 105 Cb 0.00 0.04 0.32 0.00 0.00 0.00 0.00 19.45 19.81 1kpp n ALA 105 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1kpp n ASN 106 N -3.18 2.27 0.00 0.00 0.23 -1.26 -4.91 115.26 108.40 1kpp n ASN 106 Ca -0.37 -1.79 0.00 0.00 -0.53 0.00 0.00 54.58 51.89 1kpp n ASN 106 Cb 0.88 -0.12 0.00 0.00 -2.08 0.00 0.00 39.78 38.46 1kpp n ASN 106 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1kpp n GLY 107 N 1.26 0.75 3.59 4.83 0.00 -0.92 -4.78 105.19 109.93 1kpp n GLY 107 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1kpp n GLY 107 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1kpp s LYS 108 N -0.57 2.99 -1.11 1.61 2.20 -1.22 -2.85 119.74 120.79 1kpp s LYS 108 Ca 0.00 1.94 -0.15 0.00 -0.36 0.00 0.00 55.97 57.40 1kpp s LYS 108 Cb 0.00 -4.40 -0.07 0.00 -1.51 0.00 0.00 37.83 31.85 1kpp s LYS 108 CO 0.00 -2.26 2.19 -0.89 -0.36 0.00 0.00 175.35 174.02 1kpp n ILE 109 N 7.80 2.74 -2.00 5.43 -0.00 -1.24 -4.24 119.36 127.85 1kpp n ILE 109 Ca 0.31 -2.10 -0.38 0.00 -0.00 0.00 0.00 62.75 60.58 1kpp n ILE 109 Cb 0.46 -2.41 -0.01 0.00 -0.00 0.00 0.00 39.64 37.69 1kpp n ILE 109 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1kpp n TYR 110 N 5.92 2.44 -1.43 1.39 4.11 -1.21 -4.93 117.16 123.45 1kpp n TYR 110 Ca 0.53 -2.58 -0.37 0.00 -0.00 0.00 0.00 57.90 55.48 1kpp n TYR 110 Cb 0.32 -1.61 0.06 0.00 -0.00 0.00 0.00 39.34 38.11 1kpp n TYR 110 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.86 178.14 1kpp n LEU 111 N 1.15 2.33 -0.16 -3.48 4.77 -1.26 -4.78 117.00 115.57 1kpp n LEU 111 Ca 0.57 0.70 -0.05 0.00 -0.03 0.00 0.00 56.01 57.20 1kpp n LEU 111 Cb 0.31 -1.30 0.04 0.00 -2.33 0.00 0.00 43.42 40.14 1kpp n LEU 111 CO 0.58 -2.48 1.02 -0.65 -1.33 0.00 0.00 177.39 174.53 1kpp h PRO 112 N 0.02 0.49 -0.57 3.23 0.11 -1.95 -2.28 132.00 131.05 1kpp h PRO 112 Ca -0.47 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 65.51 1kpp h PRO 112 Cb 1.36 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.34 1kpp h PRO 112 CO 0.47 0.32 -0.05 1.88 -0.21 0.00 0.00 178.00 180.41 1kpp h TYR 113 N 0.50 1.13 -0.13 0.65 -1.99 -1.92 -2.23 116.97 112.98 1kpp h TYR 113 Ca 0.21 -0.21 0.04 0.00 2.00 0.00 0.00 58.73 60.78 1kpp h TYR 113 Cb 0.11 -0.29 -0.05 0.00 2.00 0.00 0.00 36.73 38.50 1kpp h TYR 113 CO -0.10 1.02 -0.18 1.25 -0.00 0.00 0.00 178.16 180.16 1kpp h LEU 114 N 0.93 -0.55 -1.04 3.88 6.46 -1.78 0.52 115.31 123.73 1kpp h LEU 114 Ca 0.16 0.10 -0.07 0.00 -0.12 0.00 0.00 57.88 57.95 1kpp h LEU 114 Cb 0.60 0.26 -0.02 0.00 -0.73 0.00 0.00 40.66 40.77 1kpp h LEU 114 CO 0.04 -0.23 -0.02 1.12 -0.62 0.00 0.00 178.44 178.73 1kpp h HIS 115 N -0.22 0.71 -0.66 1.25 2.07 -1.38 -2.24 115.15 114.67 1kpp h HIS 115 Ca 0.10 -0.09 -0.25 0.00 -2.85 0.00 0.00 60.37 57.28 1kpp h HIS 115 Cb 0.37 -0.20 -0.15 0.00 2.57 0.00 0.00 27.41 30.00 1kpp h HIS 115 CO -0.29 0.68 0.32 -1.91 -3.07 0.00 0.00 177.93 173.65 1kpp n GLU 116 N -4.23 2.86 0.00 5.12 2.13 -0.67 -4.49 120.64 121.36 1kpp n GLU 116 Ca 0.02 -2.45 0.00 0.00 0.66 0.00 0.00 57.16 55.38 1kpp n GLU 116 Cb 0.29 -2.01 0.00 0.00 0.27 0.00 0.00 31.44 29.98 1kpp n GLU 116 CO 0.00 0.00 0.00 1.87 -0.41 0.00 0.00 177.13 178.59 1kpp n TRP 117 N -0.29 0.00 -3.94 4.31 -0.00 0.17 -4.94 117.44 112.76 1kpp n TRP 117 Ca 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.88 1kpp n TRP 117 Cb 1.27 -0.12 0.00 0.00 -0.00 0.00 0.00 31.31 32.47 1kpp n TRP 117 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 177.69 178.86 1kpp n LYS 118 N -2.24 0.00 -2.85 5.87 3.00 -1.26 -4.85 118.16 115.83 1kpp n LYS 118 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 58.31 58.24 1kpp n LYS 118 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 35.03 35.03 1kpp n LYS 118 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.40 175.01 1kpp n HIS 119 N 0.00 -1.44 0.24 5.64 1.44 -1.26 -1.80 115.22 118.04 1kpp n HIS 119 Ca 0.00 -1.28 0.14 0.00 -2.01 0.00 0.00 57.72 54.57 1kpp n HIS 119 Cb 0.00 0.45 0.74 0.00 0.12 0.00 0.00 29.99 31.30 1kpp n HIS 119 CO 0.00 0.00 0.00 -1.00 -2.81 0.00 0.00 176.34 172.53 1kpp h PRO 120 N 0.00 0.00 -0.62 -1.40 0.13 -2.08 -3.45 132.00 124.58 1kpp h PRO 120 Ca -0.18 0.00 0.14 0.00 -0.87 0.00 0.00 66.00 65.08 1kpp h PRO 120 Cb 0.73 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 31.75 1kpp h PRO 120 CO 0.24 0.00 -0.11 1.04 -0.23 0.00 0.00 178.00 178.94 1kpp n GLN 121 N -2.52 -0.05 -0.98 0.86 6.02 -1.26 -4.51 117.38 114.92 1kpp n GLN 121 Ca -0.02 0.96 -0.35 0.00 -0.01 0.00 0.00 57.00 57.58 1kpp n GLN 121 Cb 0.16 -1.45 0.07 0.00 1.02 0.00 0.00 30.24 30.04 1kpp n GLN 121 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1kpp n SER 122 N -4.96 -3.68 -3.64 1.08 2.88 -0.74 -5.02 113.62 99.54 1kpp n SER 122 Ca 0.11 0.33 -0.03 0.00 -1.33 0.00 0.00 58.87 57.96 1kpp n SER 122 Cb 0.35 -1.00 -0.05 0.00 -0.75 0.00 0.00 64.21 62.76 1kpp n SER 122 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 1kpp s ASP 123 N -1.44 -0.07 0.15 -3.46 -4.77 -1.26 -4.97 116.67 100.84 1kpp s ASP 123 Ca 0.51 0.10 -0.17 0.00 -3.30 0.00 0.00 52.55 49.70 1kpp s ASP 123 Cb -0.24 0.09 0.01 0.00 -1.09 0.00 0.00 42.92 41.69 1kpp s ASP 123 CO 0.72 -0.05 1.80 -0.07 0.70 0.00 0.00 175.17 178.27 1kpp h LEU 124 N 2.47 0.39 -0.64 2.11 4.07 -1.95 0.46 115.31 122.22 1kpp h LEU 124 Ca -0.15 -0.00 0.12 0.00 0.08 0.00 0.00 57.88 57.92 1kpp h LEU 124 Cb 1.19 -0.09 -0.09 0.00 1.08 0.00 0.00 40.66 42.75 1kpp h LEU 124 CO 0.21 0.28 0.18 0.25 -1.08 0.00 0.00 178.44 178.28 1kpp h LEU 125 N 0.47 0.08 0.03 1.67 5.85 -1.93 -1.80 115.31 119.68 1kpp h LEU 125 Ca 0.14 0.11 -0.23 0.00 0.84 0.00 0.00 57.88 58.74 1kpp h LEU 125 Cb -0.02 0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 1kpp h LEU 125 CO -0.05 0.04 -1.13 1.23 -0.34 0.00 0.00 178.44 178.19 1kpp h GLY 126 N 0.31 0.08 1.12 3.75 0.00 -1.88 -3.13 103.07 103.32 1kpp h GLY 126 Ca 0.34 -0.21 0.11 0.00 0.00 0.00 0.00 47.33 47.57 1kpp h GLY 126 CO -0.40 0.18 0.34 -2.00 0.00 0.00 0.00 176.54 174.67 1kpp h LEU 127 N 0.02 0.18 0.00 3.11 5.85 0.76 -0.06 115.31 125.17 1kpp h LEU 127 Ca -0.07 0.00 -0.22 0.00 0.84 0.00 0.00 57.88 58.44 1kpp h LEU 127 Cb 1.84 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 42.80 1kpp h LEU 127 CO 0.14 0.11 -1.33 0.40 -0.34 0.00 0.00 178.44 177.42 1kpp h ILE 128 N 0.20 0.94 -0.87 4.05 5.03 -1.49 -3.34 117.51 122.03 1kpp h ILE 128 Ca 0.23 -2.61 0.01 0.00 -0.12 0.00 0.00 64.86 62.37 1kpp h ILE 128 Cb 0.66 2.41 -0.04 0.00 -3.03 0.00 0.00 36.82 36.82 1kpp h ILE 128 CO -0.04 0.54 0.58 -0.61 -0.68 0.00 0.00 178.15 177.94 1kpp h GLN 129 N 0.00 1.15 -0.67 2.37 4.15 -0.96 -0.72 115.11 120.43 1kpp h GLN 129 Ca -0.16 -0.07 -0.01 0.00 0.77 0.00 0.00 58.65 59.18 1kpp h GLN 129 Cb 1.77 -0.26 -0.03 0.00 0.21 0.00 0.00 27.48 29.17 1kpp h GLN 129 CO 0.08 0.76 0.36 -0.24 -1.93 0.00 0.00 178.83 177.86 1kpp h VAL 130 N 1.18 1.21 -0.49 2.39 3.04 -1.54 -2.63 116.25 119.42 1kpp h VAL 130 Ca 0.32 -0.53 -0.06 0.00 -1.01 0.00 0.00 66.70 65.42 1kpp h VAL 130 Cb -0.13 0.35 -0.02 0.00 -2.01 0.00 0.00 31.29 29.48 1kpp h VAL 130 CO -0.07 0.23 0.07 0.24 -1.01 0.00 0.00 177.57 177.02 1kpp h MET 131 N 0.91 0.81 -0.54 4.17 2.86 -1.51 0.12 114.93 121.76 1kpp h MET 131 Ca 0.23 -0.23 0.16 0.00 -2.06 0.00 0.00 59.70 57.80 1kpp h MET 131 Cb 0.05 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.59 1kpp h MET 131 CO -0.04 0.82 0.52 0.82 1.06 0.00 0.00 176.91 180.09 1kpp h ILE 132 N 0.68 0.41 0.00 -1.22 5.03 -0.79 0.90 117.51 122.52 1kpp h ILE 132 Ca 0.15 0.00 -0.18 0.00 -0.12 0.00 0.00 64.86 64.71 1kpp h ILE 132 Cb 0.41 0.60 -0.03 0.00 -3.03 0.00 0.00 36.82 34.78 1kpp h ILE 132 CO 0.01 0.00 -1.35 0.52 -0.68 0.00 0.00 178.15 176.65 1kpp n VAL 133 N -3.83 1.50 -0.25 1.67 0.31 -0.89 -2.69 118.33 114.14 1kpp n VAL 133 Ca 0.10 -0.02 0.10 0.00 -0.01 0.00 0.00 64.34 64.51 1kpp n VAL 133 Cb 0.73 -2.16 0.36 0.00 -0.91 0.00 0.00 33.84 31.85 1kpp n VAL 133 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1kpp h VAL 134 N -1.00 0.91 0.00 2.52 2.07 -0.38 -0.13 116.25 120.24 1kpp h VAL 134 Ca -0.27 -0.25 -0.19 0.00 0.82 0.00 0.00 66.70 66.80 1kpp h VAL 134 Cb 1.12 0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 1kpp h VAL 134 CO -0.17 0.14 -1.05 -0.26 0.02 0.00 0.00 177.57 176.25 1kpp h PHE 135 N 0.74 0.00 0.00 1.57 -1.00 0.62 -3.18 116.94 115.69 1kpp h PHE 135 Ca 0.41 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.19 1kpp h PHE 135 Cb 0.55 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.11 1kpp h PHE 135 CO -0.00 0.81 0.00 0.41 -1.61 0.00 0.00 178.31 177.92 1kpp n GLY 136 N 1.36 -1.05 0.14 -1.45 0.00 -0.10 -3.12 105.19 100.96 1kpp n GLY 136 Ca -0.04 0.06 -0.24 0.00 0.00 0.00 0.00 46.02 45.80 1kpp n GLY 136 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1kpp n ASP 137 N -1.98 1.97 -3.42 1.61 8.00 -0.95 -4.55 116.55 117.24 1kpp n ASP 137 Ca 0.02 0.11 -0.18 0.00 0.71 0.00 0.00 54.79 55.45 1kpp n ASP 137 Cb 0.16 -0.63 -0.10 0.00 -0.02 0.00 0.00 41.12 40.52 1kpp n ASP 137 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 1kpp s GLU 138 N -2.51 0.30 -0.08 -1.24 -1.05 -1.18 -4.96 118.70 107.98 1kpp s GLU 138 Ca -0.37 -0.16 -0.33 0.00 -0.15 0.00 0.00 54.97 53.96 1kpp s GLU 138 Cb 0.12 -0.74 -0.11 0.00 -0.44 0.00 0.00 34.13 32.96 1kpp s GLU 138 CO 0.54 -1.01 1.91 -2.30 0.95 0.00 0.00 175.26 175.36 1kpp n PRO 139 N 5.31 2.28 0.00 -4.83 -0.02 -1.20 -4.62 135.00 131.91 1kpp n PRO 139 Ca -0.03 0.83 0.15 0.00 -2.02 0.00 0.00 63.50 62.43 1kpp n PRO 139 Cb 0.46 -2.71 0.87 0.00 -0.02 0.00 0.00 33.50 32.09 1kpp n PRO 139 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1kpp n PRO 140 N 6.88 0.87 0.00 0.52 -0.04 -1.26 -3.06 135.00 138.91 1kpp n PRO 140 Ca 0.23 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.82 1kpp n PRO 140 Cb 0.31 -1.50 0.32 0.00 -0.04 0.00 0.00 33.50 32.59 1kpp n PRO 140 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1kpp n VAL 141 N -1.03 0.00 -0.97 0.52 0.31 -1.26 0.11 118.33 116.01 1kpp n VAL 141 Ca 0.21 -0.24 -0.35 0.00 -0.01 0.00 0.00 64.34 63.95 1kpp n VAL 141 Cb 0.12 0.73 0.04 0.00 -0.91 0.00 0.00 33.84 33.81 1kpp n VAL 141 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 1kpp n PHE 142 N -0.00 -4.50 -1.84 3.52 -0.00 -1.17 -2.95 117.46 110.52 1kpp n PHE 142 Ca 0.14 0.07 -0.02 0.00 -0.00 0.00 0.00 57.45 57.64 1kpp n PHE 142 Cb 0.41 -1.38 -0.01 0.00 -0.00 0.00 0.00 39.48 38.49 1kpp n PHE 142 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 1kpp n SER 143 N 3.40 -0.37 -4.60 -2.13 2.88 -1.26 -3.67 113.62 107.86 1kpp n SER 143 Ca -0.02 -0.82 -0.43 0.00 -1.33 0.00 0.00 58.87 56.27 1kpp n SER 143 Cb 0.57 0.13 -0.02 0.00 -0.75 0.00 0.00 64.21 64.14 1kpp n SER 143 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 1kpp s ARG 144 N 0.01 3.71 0.00 -1.46 6.06 -1.26 -4.91 118.95 121.10 1kpp s ARG 144 Ca 0.01 0.67 0.14 0.00 -2.50 0.00 0.00 55.73 54.05 1kpp s ARG 144 Cb 0.03 -3.93 0.84 0.00 0.06 0.00 0.00 34.95 31.96 1kpp s ARG 144 CO -0.01 -1.40 1.26 -0.35 -2.50 0.00 0.00 175.30 172.31