#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 -9.64 -1.99 0.00 0.31 -1.26 -4.85 118.33 100.90 1kpp n VAL 3 Ca 0.00 -0.88 -0.20 0.00 -0.01 0.00 0.00 64.34 63.26 1kpp n VAL 3 Cb 0.00 -6.71 0.12 0.00 -0.91 0.00 0.00 33.84 26.34 1kpp n VAL 3 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1kpp n SER 4 N -2.60 0.42 0.19 4.52 3.41 -1.26 -4.61 113.62 113.69 1kpp n SER 4 Ca -0.04 -1.53 0.08 0.00 -0.26 0.00 0.00 58.87 57.11 1kpp n SER 4 Cb 0.57 -0.63 0.59 0.00 -0.26 0.00 0.00 64.21 64.48 1kpp n SER 4 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1kpp h GLU 5 N 0.00 0.12 0.07 4.33 4.57 -1.98 0.69 114.58 122.38 1kpp h GLU 5 Ca -0.28 -0.01 -0.11 0.00 -1.18 0.00 0.00 59.36 57.78 1kpp h GLU 5 Cb 0.87 -0.03 0.01 0.00 -0.16 0.00 0.00 28.75 29.44 1kpp h GLU 5 CO 0.23 0.08 -0.46 1.03 -1.18 0.00 0.00 179.01 178.71 1kpp h SER 6 N 0.13 0.29 -0.46 1.04 0.87 -2.00 -3.06 113.55 110.35 1kpp h SER 6 Ca 0.05 -0.93 -0.14 0.00 -1.23 0.00 0.00 61.79 59.54 1kpp h SER 6 Cb 0.04 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 61.89 1kpp h SER 6 CO -0.01 1.20 -0.26 -0.61 -0.53 0.00 0.00 176.83 176.62 1kpp h GLN 7 N -0.57 0.99 -0.76 2.24 5.75 -1.82 -3.01 115.11 117.93 1kpp h GLN 7 Ca -0.08 -0.45 0.01 0.00 -0.15 0.00 0.00 58.65 57.99 1kpp h GLN 7 Cb 1.33 -0.02 -0.04 0.00 1.07 0.00 0.00 27.48 29.82 1kpp h GLN 7 CO 0.09 1.12 0.51 1.25 -2.65 0.00 0.00 178.83 179.15 1kpp h LEU 8 N 0.85 0.87 0.02 -2.39 6.46 0.26 -1.11 115.31 120.26 1kpp h LEU 8 Ca 0.10 -0.02 -0.00 0.00 -0.12 0.00 0.00 57.88 57.84 1kpp h LEU 8 Cb 0.84 -0.22 0.00 0.00 -0.73 0.00 0.00 40.66 40.56 1kpp h LEU 8 CO 0.07 0.63 -0.01 0.11 -0.62 0.00 0.00 178.44 178.62 1kpp h LYS 9 N 1.02 -0.03 -0.09 1.25 1.57 -1.42 0.44 116.57 119.32 1kpp h LYS 9 Ca 0.28 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 59.03 1kpp h LYS 9 Cb -0.10 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 1kpp h LYS 9 CO -0.06 0.10 -0.13 0.87 -0.57 0.00 0.00 179.45 179.66 1kpp h LYS 10 N -0.15 0.13 -0.00 3.15 1.57 -1.37 0.37 116.57 120.26 1kpp h LYS 10 Ca -0.00 -0.03 -0.16 0.00 -1.87 0.00 0.00 60.65 58.59 1kpp h LYS 10 Cb 0.14 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 1kpp h LYS 10 CO 0.00 0.27 -0.74 0.52 -0.57 0.00 0.00 179.45 178.93 1kpp h MET 11 N 0.13 0.05 -0.44 3.15 2.86 -0.83 -3.14 114.93 116.70 1kpp h MET 11 Ca 0.03 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1kpp h MET 11 Cb 0.31 0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.98 1kpp h MET 11 CO 0.02 0.77 0.00 1.33 1.06 0.00 0.00 176.91 180.08 1kpp n VAL 12 N -3.68 2.48 0.21 -2.22 0.24 0.11 -4.51 118.33 110.95 1kpp n VAL 12 Ca -0.01 -1.59 0.04 0.00 -2.04 0.00 0.00 64.34 60.74 1kpp n VAL 12 Cb 0.72 -0.23 0.44 0.00 -1.47 0.00 0.00 33.84 33.30 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 3.03 0.00 0.98 -1.34 0.87 -0.90 -2.35 113.55 113.84 1kpp h SER 13 Ca 0.00 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.44 1kpp h SER 13 Cb 1.70 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.64 1kpp h SER 13 CO 0.35 0.26 -0.56 0.50 -0.53 0.00 0.00 176.83 176.86 1kpp h LYS 14 N 0.00 0.00 -6.54 2.24 1.63 -1.83 -3.45 116.57 108.61 1kpp h LYS 14 Ca -0.00 0.00 -0.57 0.00 -0.85 0.00 0.00 60.65 59.22 1kpp h LYS 14 Cb 0.47 0.00 0.06 0.00 -0.60 0.00 0.00 32.23 32.16 1kpp h LYS 14 CO 0.03 0.56 0.81 0.66 -3.45 0.00 0.00 179.45 178.06 1kpp n TYR 15 N -3.48 2.35 -0.14 1.91 4.02 -0.89 -4.89 117.16 116.04 1kpp n TYR 15 Ca 0.00 0.25 -0.11 0.00 -0.01 0.00 0.00 57.90 58.04 1kpp n TYR 15 Cb 0.66 -2.55 -0.01 0.00 -0.02 0.00 0.00 39.34 37.41 1kpp n TYR 15 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 176.86 176.72 1kpp h LYS 16 N 5.83 0.79 -2.30 -0.72 1.57 -1.88 -3.24 116.57 116.62 1kpp h LYS 16 Ca -0.45 -0.28 -0.77 0.00 -1.87 0.00 0.00 60.65 57.28 1kpp h LYS 16 Cb 1.25 -0.05 -0.30 0.00 0.08 0.00 0.00 32.23 33.21 1kpp h LYS 16 CO 0.88 0.89 0.72 0.66 -0.57 0.00 0.00 179.45 182.04 1kpp n TYR 17 N -4.35 2.96 -0.11 -1.35 4.01 -1.26 -4.78 117.16 112.29 1kpp n TYR 17 Ca -0.01 -2.82 0.05 0.00 -0.16 0.00 0.00 57.90 54.96 1kpp n TYR 17 Cb 0.34 -1.08 0.37 0.00 -0.31 0.00 0.00 39.34 38.67 1kpp n TYR 17 CO 0.00 0.00 0.00 0.07 -0.46 0.00 0.00 176.86 176.47 1kpp h ARG 18 N 4.08 0.68 -0.01 -0.72 0.11 -1.84 0.20 114.38 116.88 1kpp h ARG 18 Ca 0.45 -0.04 0.02 0.00 0.10 0.00 0.00 59.98 60.50 1kpp h ARG 18 Cb 0.37 -0.15 -0.02 0.00 1.11 0.00 0.00 29.97 31.28 1kpp h ARG 18 CO 1.13 0.45 -0.08 0.22 0.10 0.00 0.00 179.97 181.79 1kpp h ASP 19 N 0.70 -0.24 0.43 0.08 1.82 -1.92 0.53 116.42 117.83 1kpp h ASP 19 Ca 0.23 0.04 -0.18 0.00 -0.39 0.00 0.00 57.03 56.74 1kpp h ASP 19 Cb 0.06 0.10 -0.01 0.00 0.68 0.00 0.00 39.33 40.17 1kpp h ASP 19 CO -0.06 -0.12 -0.75 -0.07 -1.61 0.00 0.00 179.24 176.63 1kpp h LEU 20 N -0.14 0.31 -0.67 2.28 4.07 -1.86 -0.35 115.31 118.96 1kpp h LEU 20 Ca 0.04 -0.22 -0.10 0.00 0.08 0.00 0.00 57.88 57.68 1kpp h LEU 20 Cb 0.18 -0.09 -0.02 0.00 1.08 0.00 0.00 40.66 41.81 1kpp h LEU 20 CO -0.09 0.95 -0.06 0.74 -1.08 0.00 0.00 178.44 178.90 1kpp h THR 21 N 0.17 1.26 0.02 0.22 2.02 -0.22 0.30 112.91 116.69 1kpp h THR 21 Ca -0.03 -1.18 -0.24 0.00 0.77 0.00 0.00 66.41 65.73 1kpp h THR 21 Cb 1.32 0.90 -0.03 0.00 -1.74 0.00 0.00 68.15 68.61 1kpp h THR 21 CO 0.12 0.42 -1.18 0.58 0.37 0.00 0.00 175.52 175.83 1kpp h VAL 22 N 0.89 1.51 -0.03 3.16 2.07 0.06 -3.10 116.25 120.82 1kpp h VAL 22 Ca 0.15 -3.23 -0.08 0.00 0.82 0.00 0.00 66.70 64.36 1kpp h VAL 22 Cb 0.59 2.78 0.01 0.00 -1.52 0.00 0.00 31.29 33.15 1kpp h VAL 22 CO 0.04 0.88 -0.29 -0.09 0.02 0.00 0.00 177.57 178.12 1kpp h ARG 23 N 0.01 0.24 -0.78 1.57 2.43 -0.93 -2.61 114.38 114.31 1kpp h ARG 23 Ca -0.08 -0.23 0.02 0.00 -0.81 0.00 0.00 59.98 58.88 1kpp h ARG 23 Cb 1.85 0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 31.41 1kpp h ARG 23 CO 0.13 0.91 0.51 0.93 -1.51 0.00 0.00 179.97 180.94 1kpp h GLU 24 N -0.34 0.98 0.80 0.20 5.08 -0.52 -1.60 114.58 119.17 1kpp h GLU 24 Ca -0.03 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.23 1kpp h GLU 24 Cb 1.00 -0.22 0.01 0.00 0.50 0.00 0.00 28.75 30.03 1kpp h GLU 24 CO 0.06 0.65 -0.38 1.15 -1.00 0.00 0.00 179.01 179.49 1kpp h THR 25 N 1.01 0.05 -0.72 1.13 2.02 -1.61 -2.72 112.91 112.07 1kpp h THR 25 Ca 0.30 -0.20 0.16 0.00 0.77 0.00 0.00 66.41 67.45 1kpp h THR 25 Cb -0.05 0.06 -0.12 0.00 -1.74 0.00 0.00 68.15 66.30 1kpp h THR 25 CO -0.09 0.00 0.02 1.62 0.37 0.00 0.00 175.52 177.45 1kpp h VAL 26 N -1.25 0.39 -0.19 3.16 3.04 -1.39 0.63 116.25 120.65 1kpp h VAL 26 Ca -0.11 -0.04 0.05 0.00 -1.01 0.00 0.00 66.70 65.59 1kpp h VAL 26 Cb 0.83 0.26 -0.01 0.00 -2.01 0.00 0.00 31.29 30.36 1kpp h VAL 26 CO 0.18 0.02 0.14 0.78 -1.01 0.00 0.00 177.57 177.68 1kpp h ASN 27 N 0.12 0.00 0.35 3.17 2.35 -1.27 0.28 115.58 120.59 1kpp h ASN 27 Ca 0.39 0.00 -0.32 0.00 -0.55 0.00 0.00 56.30 55.82 1kpp h ASN 27 Cb 0.68 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.06 1kpp h ASN 27 CO -0.62 0.00 -1.57 0.58 -1.65 0.00 0.00 177.43 174.18 1kpp h VAL 28 N 0.00 1.14 0.00 2.81 2.07 0.45 -2.89 116.25 119.84 1kpp h VAL 28 Ca 0.09 -2.71 -0.12 0.00 0.82 0.00 0.00 66.70 64.78 1kpp h VAL 28 Cb 0.37 2.84 -0.02 0.00 -1.52 0.00 0.00 31.29 32.96 1kpp h VAL 28 CO -0.00 0.84 -0.57 0.40 0.02 0.00 0.00 177.57 178.25 1kpp h ILE 29 N 0.10 1.21 0.00 4.57 2.04 0.06 0.61 117.51 126.10 1kpp h ILE 29 Ca -0.27 -2.11 -0.19 0.00 1.00 0.00 0.00 64.86 63.29 1kpp h ILE 29 Cb 2.07 2.20 -0.03 0.00 -0.74 0.00 0.00 36.82 40.33 1kpp h ILE 29 CO 0.20 0.56 -0.95 0.74 0.00 0.00 0.00 178.15 178.70 1kpp h THR 30 N 0.00 1.52 0.00 -0.27 2.02 -0.58 -3.31 112.91 112.29 1kpp h THR 30 Ca -0.01 -3.17 -0.28 0.00 0.77 0.00 0.00 66.41 63.73 1kpp h THR 30 Cb 1.16 2.75 -0.05 0.00 -1.74 0.00 0.00 68.15 70.27 1kpp h THR 30 CO 0.07 0.86 -1.61 0.25 0.37 0.00 0.00 175.52 175.46 1kpp h LEU 31 N 0.00 0.01 -8.85 2.58 5.85 -1.44 -3.45 115.31 110.01 1kpp h LEU 31 Ca -0.02 -0.02 -0.63 0.00 0.84 0.00 0.00 57.88 58.04 1kpp h LEU 31 Cb 1.71 -0.00 -0.20 0.00 0.37 0.00 0.00 40.66 42.53 1kpp h LEU 31 CO 0.12 1.02 -0.63 -0.31 -0.34 0.00 0.00 178.44 178.30 1kpp s TYR 32 N -2.61 3.10 -0.50 1.25 1.51 0.20 -4.99 117.35 115.30 1kpp s TYR 32 Ca -0.04 -0.24 0.02 0.00 -1.01 0.00 0.00 57.07 55.80 1kpp s TYR 32 Cb 0.08 -2.06 0.53 0.00 -0.11 0.00 0.00 41.96 40.40 1kpp s TYR 32 CO 0.82 -0.08 1.83 1.63 -1.11 0.00 0.00 175.55 178.65 1kpp n LYS 33 N 3.91 2.51 -0.83 -0.62 4.01 -1.26 -4.24 118.16 121.63 1kpp n LYS 33 Ca -0.17 -3.27 -0.01 0.00 -0.51 0.00 0.00 58.31 54.35 1kpp n LYS 33 Cb 0.52 -2.19 -0.02 0.00 -0.51 0.00 0.00 35.03 32.84 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 -1.01 -0.10 -4.53 4.39 8.00 -1.26 -5.12 116.55 116.92 1kpp n ASP 34 Ca 0.56 -1.68 -0.24 0.00 0.71 0.00 0.00 54.79 54.14 1kpp n ASP 34 Cb 1.09 -0.01 -0.09 0.00 -0.02 0.00 0.00 41.12 42.08 1kpp n ASP 34 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1kpp s LEU 35 N 0.00 2.77 -0.14 0.64 2.01 -1.26 -2.19 118.68 120.51 1kpp s LEU 35 Ca 0.06 -0.95 -0.07 0.00 0.01 0.00 0.00 54.13 53.18 1kpp s LEU 35 Cb 0.07 -1.25 0.05 0.00 0.01 0.00 0.00 46.19 45.07 1kpp s LEU 35 CO -0.03 -0.01 0.34 -0.54 1.01 0.00 0.00 176.35 177.12 1kpp s LYS 36 N -3.57 0.31 0.10 1.70 -0.14 0.22 -4.95 119.74 113.40 1kpp s LYS 36 Ca 0.31 0.67 -0.30 0.00 -1.36 0.00 0.00 55.97 55.28 1kpp s LYS 36 Cb -0.04 -0.07 -0.06 0.00 -1.68 0.00 0.00 37.83 35.98 1kpp s LYS 36 CO 0.17 -0.16 1.18 -1.25 -0.76 0.00 0.00 175.35 174.52 1kpp s PRO 37 N 1.32 4.47 0.22 -1.68 0.04 -1.26 -0.01 135.00 138.10 1kpp s PRO 37 Ca -0.09 1.77 0.07 0.00 0.04 0.00 0.00 61.00 62.78 1kpp s PRO 37 Cb -0.09 -3.32 -0.05 0.00 0.04 0.00 0.00 34.50 31.08 1kpp s PRO 37 CO -0.11 -0.17 -0.10 0.08 0.04 0.00 0.00 177.00 176.74 1kpp s VAL 38 N 0.67 1.57 -0.16 -0.36 1.01 0.29 -4.70 120.40 118.71 1kpp s VAL 38 Ca 0.56 -2.15 -0.01 0.00 0.00 0.00 0.00 61.98 60.38 1kpp s VAL 38 Cb -0.30 -2.15 0.04 0.00 0.00 0.00 0.00 36.38 33.97 1kpp s VAL 38 CO 0.31 -0.51 -0.03 -0.22 0.00 0.00 0.00 175.10 174.65 1kpp s LEU 39 N -3.33 1.40 -0.07 3.92 1.98 -1.26 -0.75 118.68 120.57 1kpp s LEU 39 Ca 0.24 -0.61 -0.01 0.00 -2.89 0.00 0.00 54.13 50.86 1kpp s LEU 39 Cb 0.01 -0.79 0.03 0.00 0.66 0.00 0.00 46.19 46.10 1kpp s LEU 39 CO 0.07 -0.21 0.00 -0.62 -1.89 0.00 0.00 176.35 173.71 1kpp s ASP 40 N 1.72 1.52 0.32 3.68 2.15 -0.65 -5.00 116.67 120.41 1kpp s ASP 40 Ca 0.01 -0.08 -0.22 0.00 0.43 0.00 0.00 52.55 52.69 1kpp s ASP 40 Cb -0.15 -0.43 -0.10 0.00 -0.30 0.00 0.00 42.92 41.94 1kpp s ASP 40 CO -0.07 -0.19 0.86 -0.94 -0.17 0.00 0.00 175.17 174.66 1kpp s SER 41 N 1.90 7.13 -0.01 -0.34 1.04 -1.26 -2.49 113.70 119.66 1kpp s SER 41 Ca 0.04 1.64 0.00 0.00 0.48 0.00 0.00 55.95 58.11 1kpp s SER 41 Cb -0.12 -2.51 0.02 0.00 0.10 0.00 0.00 66.02 63.51 1kpp s SER 41 CO -0.05 -0.11 0.01 -0.47 0.98 0.00 0.00 173.24 173.60 1kpp s TYR 42 N -1.74 0.10 0.89 5.02 5.04 -0.66 -4.89 117.35 121.11 1kpp s TYR 42 Ca 0.51 0.04 -0.12 0.00 -2.44 0.00 0.00 57.07 55.06 1kpp s TYR 42 Cb -0.15 -0.18 0.11 0.00 0.35 0.00 0.00 41.96 42.09 1kpp s TYR 42 CO 0.20 -0.05 1.03 1.33 -1.34 0.00 0.00 175.55 176.72 1kpp n VAL 43 N 3.65 0.66 -3.47 3.14 0.24 -1.26 -2.78 118.33 118.50 1kpp n VAL 43 Ca -0.20 -0.10 -0.12 0.00 -2.04 0.00 0.00 64.34 61.87 1kpp n VAL 43 Cb 0.55 -0.99 0.01 0.00 -1.47 0.00 0.00 33.84 31.94 1kpp n VAL 43 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 1kpp n PHE 44 N -3.82 -1.56 0.25 6.34 3.01 0.99 -4.87 117.46 117.79 1kpp n PHE 44 Ca 0.12 -1.17 0.12 0.00 1.01 0.00 0.00 57.45 57.53 1kpp n PHE 44 Cb 0.52 -0.25 0.61 0.00 -0.01 0.00 0.00 39.48 40.35 1kpp n PHE 44 CO 0.00 0.00 0.00 -0.91 1.01 0.00 0.00 176.76 176.86 1kpp h ASN 45 N 0.24 0.00 0.81 4.37 2.35 -1.96 -2.73 115.58 118.67 1kpp h ASN 45 Ca -0.17 0.00 -0.22 0.00 -0.55 0.00 0.00 56.30 55.36 1kpp h ASN 45 Cb 0.65 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.99 1kpp h ASN 45 CO 0.26 0.16 -1.29 -2.24 -1.65 0.00 0.00 177.43 172.67 1kpp h ASP 46 N 0.00 0.00 0.00 5.81 3.04 -2.03 -3.48 116.42 119.76 1kpp h ASP 46 Ca -0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1kpp h ASP 46 Cb 0.54 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.83 1kpp h ASP 46 CO 0.02 0.85 0.00 0.61 -2.04 0.00 0.00 179.24 178.68 1kpp n GLY 47 N 1.42 1.00 3.57 7.15 0.00 -1.03 -5.12 105.19 112.18 1kpp n GLY 47 Ca -0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 1kpp n GLY 47 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1kpp n SER 48 N 0.00 -0.59 -4.26 1.61 7.64 -1.26 -4.38 113.62 112.38 1kpp n SER 48 Ca 0.00 0.26 -0.34 0.00 1.01 0.00 0.00 58.87 59.81 1kpp n SER 48 Cb 0.00 -1.37 -0.15 0.00 -1.01 0.00 0.00 64.21 61.68 1kpp n SER 48 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1kpp s SER 49 N -2.46 3.77 -0.10 6.43 0.01 -1.26 -0.01 113.70 120.09 1kpp s SER 49 Ca 0.65 -0.47 0.03 0.00 1.31 0.00 0.00 55.95 57.47 1kpp s SER 49 Cb -0.23 -1.60 -0.01 0.00 0.21 0.00 0.00 66.02 64.39 1kpp s SER 49 CO 0.61 0.04 -0.19 -0.60 0.41 0.00 0.00 173.24 173.51 1kpp s ARG 50 N 1.08 3.00 -0.41 12.44 6.06 -1.12 -4.94 118.95 135.07 1kpp s ARG 50 Ca -0.00 -0.80 -0.29 0.00 -2.50 0.00 0.00 55.73 52.15 1kpp s ARG 50 Cb -0.14 -2.39 0.01 0.00 0.06 0.00 0.00 34.95 32.48 1kpp s ARG 50 CO -0.04 0.29 1.39 -1.83 -2.50 0.00 0.00 175.30 172.61 1kpp s GLU 51 N 0.11 3.60 -0.13 5.12 1.03 -1.26 -1.65 118.70 125.53 1kpp s GLU 51 Ca -0.09 0.93 -0.04 0.00 0.03 0.00 0.00 54.97 55.80 1kpp s GLU 51 Cb -0.15 -4.01 -0.03 0.00 -0.80 0.00 0.00 34.13 29.13 1kpp s GLU 51 CO 0.06 -1.53 0.02 -0.51 -1.33 0.00 0.00 175.26 171.97 1kpp s LEU 52 N 5.31 3.62 0.25 1.83 2.01 -1.04 -4.91 118.68 125.76 1kpp s LEU 52 Ca 0.60 0.09 -0.17 0.00 0.01 0.00 0.00 54.13 54.66 1kpp s LEU 52 Cb -0.13 -1.87 -0.08 0.00 0.01 0.00 0.00 46.19 44.12 1kpp s LEU 52 CO 0.32 0.28 0.71 -0.32 1.01 0.00 0.00 176.35 178.34 1kpp s MET 53 N -0.27 4.12 -0.06 1.70 1.75 -1.26 -1.63 119.30 123.65 1kpp s MET 53 Ca 0.07 0.74 -0.10 0.00 -1.25 0.00 0.00 55.69 55.15 1kpp s MET 53 Cb -0.12 -2.71 0.02 0.00 2.84 0.00 0.00 34.83 34.86 1kpp s MET 53 CO 0.02 0.31 0.25 0.54 -0.65 0.00 0.00 175.02 175.49 1kpp s ASN 54 N -1.92 -0.20 -0.48 1.11 4.22 0.07 -2.67 114.94 115.07 1kpp s ASN 54 Ca 0.47 0.30 -0.16 0.00 -2.14 0.00 0.00 52.86 51.33 1kpp s ASN 54 Cb -0.14 0.43 0.07 0.00 1.28 0.00 0.00 41.25 42.89 1kpp s ASN 54 CO 0.19 -0.22 0.44 -0.76 -2.04 0.00 0.00 177.10 174.72 1kpp s LEU 55 N -0.44 5.52 -0.11 3.54 1.43 -0.97 0.10 118.68 127.75 1kpp s LEU 55 Ca -0.05 -1.27 -0.15 0.00 -1.03 0.00 0.00 54.13 51.63 1kpp s LEU 55 Cb -0.04 -2.23 -0.05 0.00 0.03 0.00 0.00 46.19 43.90 1kpp s LEU 55 CO 0.01 -0.70 0.35 -0.89 0.23 0.00 0.00 176.35 175.36 1kpp s THR 56 N 1.83 5.23 -0.06 5.49 2.01 0.98 -2.82 115.64 128.31 1kpp s THR 56 Ca 0.06 0.69 0.00 0.00 0.31 0.00 0.00 61.69 62.75 1kpp s THR 56 Cb -0.24 -3.68 0.00 0.00 0.01 0.00 0.00 72.50 68.59 1kpp s THR 56 CO 0.07 0.43 0.00 0.61 -0.69 0.00 0.00 174.62 175.04 1kpp n GLY 57 N 2.93 -0.68 3.27 4.40 0.00 -1.22 0.70 105.19 114.59 1kpp n GLY 57 Ca -0.12 -0.43 -0.14 0.00 0.00 0.00 0.00 46.02 45.34 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 -3.48 0.05 0.10 2.61 -4.23 -0.93 -2.29 115.64 107.48 1kpp s THR 58 Ca 0.00 -0.45 0.08 0.00 -1.18 0.00 0.00 61.69 60.14 1kpp s THR 58 Cb 0.00 -0.70 -0.03 0.00 1.34 0.00 0.00 72.50 73.11 1kpp s THR 58 CO 0.00 -0.25 -0.22 0.27 -0.54 0.00 0.00 174.62 173.88 1kpp s ILE 59 N -1.50 1.77 -0.17 2.99 -0.00 -1.17 -4.67 121.20 118.46 1kpp s ILE 59 Ca -0.12 -1.53 -0.29 0.00 -0.00 0.00 0.00 60.65 58.71 1kpp s ILE 59 Cb -0.04 -1.60 -0.03 0.00 -0.00 0.00 0.00 42.46 40.79 1kpp s ILE 59 CO 0.04 -0.01 1.61 -2.16 -0.00 0.00 0.00 174.94 174.42 1kpp s PRO 60 N -1.85 3.93 -0.58 0.37 0.04 -1.25 -2.70 135.00 132.96 1kpp s PRO 60 Ca 0.07 1.83 0.04 0.00 0.04 0.00 0.00 61.00 62.98 1kpp s PRO 60 Cb -0.10 -4.01 0.15 0.00 0.04 0.00 0.00 34.50 30.59 1kpp s PRO 60 CO 0.04 -1.13 0.37 0.08 0.04 0.00 0.00 177.00 176.40 1kpp s VAL 61 N 4.79 2.33 1.07 -0.36 1.01 -1.13 -4.91 120.40 123.19 1kpp s VAL 61 Ca 0.71 -3.58 -0.12 0.00 0.00 0.00 0.00 61.98 58.99 1kpp s VAL 61 Cb -0.27 -2.57 0.22 0.00 0.00 0.00 0.00 36.38 33.76 1kpp s VAL 61 CO 0.28 -0.95 1.02 -2.65 0.00 0.00 0.00 175.10 172.81 1kpp n PRO 62 N 2.62 -1.58 0.02 2.72 -0.02 -1.26 -3.46 135.00 134.05 1kpp n PRO 62 Ca 0.15 -0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.21 1kpp n PRO 62 Cb 0.35 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 1kpp n PRO 62 CO 0.00 0.00 0.00 0.98 1.98 0.00 0.00 175.50 178.46 1kpp n TYR 63 N -4.65 -1.05 -2.28 6.00 4.19 -1.19 -4.66 117.16 113.52 1kpp n TYR 63 Ca 0.07 0.08 -0.27 0.00 3.31 0.00 0.00 57.90 61.08 1kpp n TYR 63 Cb 0.53 0.61 0.01 0.00 0.49 0.00 0.00 39.34 40.99 1kpp n TYR 63 CO 0.00 0.00 0.00 0.54 0.91 0.00 0.00 176.86 178.31 1kpp n ARG 64 N -2.59 3.43 0.00 2.98 3.00 -1.26 -4.85 116.66 117.37 1kpp n ARG 64 Ca 0.00 -4.32 0.00 0.00 -0.01 0.00 0.00 57.85 53.52 1kpp n ARG 64 Cb 0.00 -2.26 0.00 0.00 0.00 0.00 0.00 32.46 30.20 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 -0.56 2.42 0.00 -0.13 0.00 -1.26 -5.04 105.19 100.61 1kpp n GLY 65 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.44 1kpp n GLY 65 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1kpp n ASN 66 N 0.00 0.00 -3.66 1.61 4.05 -1.26 -5.09 115.26 110.90 1kpp n ASN 66 Ca 0.00 -0.82 -0.08 0.00 0.45 0.00 0.00 54.58 54.13 1kpp n ASN 66 Cb 0.00 0.00 -0.09 0.00 1.23 0.00 0.00 39.78 40.92 1kpp n ASN 66 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 1kpp s THR 67 N 1.18 -0.12 0.04 -0.44 2.01 -1.26 -3.20 115.64 113.84 1kpp s THR 67 Ca 0.00 0.05 0.00 0.00 0.31 0.00 0.00 61.69 62.05 1kpp s THR 67 Cb 0.00 -0.82 0.00 0.00 0.01 0.00 0.00 72.50 71.70 1kpp s THR 67 CO 0.00 0.02 0.04 -1.22 -0.69 0.00 0.00 174.62 172.77 1kpp n TYR 68 N 4.44 -2.31 -3.25 4.92 4.01 -1.22 -4.86 117.16 118.88 1kpp n TYR 68 Ca -0.20 -0.14 -0.25 0.00 -0.16 0.00 0.00 57.90 57.15 1kpp n TYR 68 Cb 0.56 -0.03 -0.07 0.00 -0.31 0.00 0.00 39.34 39.49 1kpp n TYR 68 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 1kpp n ASN 69 N -2.55 2.45 -4.56 7.72 0.23 -1.26 -2.84 115.26 114.46 1kpp n ASN 69 Ca 0.01 -3.20 -0.43 0.00 -0.53 0.00 0.00 54.58 50.42 1kpp n ASN 69 Cb 0.04 -0.64 -0.04 0.00 -2.08 0.00 0.00 39.78 37.06 1kpp n ASN 69 CO 0.00 0.00 0.00 -0.38 -0.93 0.00 0.00 177.26 175.95 1kpp n ILE 70 N 0.79 0.23 -1.39 1.53 2.08 -1.10 -4.59 119.36 116.91 1kpp n ILE 70 Ca 0.27 -0.47 -0.33 0.00 0.56 0.00 0.00 62.75 62.77 1kpp n ILE 70 Cb 0.47 -2.38 0.09 0.00 -0.75 0.00 0.00 39.64 37.08 1kpp n ILE 70 CO 0.00 0.00 0.00 -2.84 0.56 0.00 0.00 176.55 174.27 1kpp s PRO 71 N 6.73 2.15 0.03 0.38 0.02 -1.26 -3.01 135.00 140.04 1kpp s PRO 71 Ca 1.03 1.60 -0.22 0.00 0.02 0.00 0.00 61.00 63.43 1kpp s PRO 71 Cb -0.44 -1.85 0.05 0.00 0.02 0.00 0.00 34.50 32.28 1kpp s PRO 71 CO 0.37 -1.79 0.51 0.96 -0.33 0.00 0.00 177.00 176.71 1kpp s ILE 72 N -2.23 0.03 -0.31 2.83 -0.00 -0.97 -4.52 121.20 116.04 1kpp s ILE 72 Ca 0.70 -0.26 0.03 0.00 -0.00 0.00 0.00 60.65 61.12 1kpp s ILE 72 Cb -0.25 -0.95 0.09 0.00 -0.00 0.00 0.00 42.46 41.35 1kpp s ILE 72 CO 0.47 -0.14 0.01 0.00 -0.00 0.00 0.00 174.94 175.28 1kpp s LEU 74 N 1.09 4.33 0.04 0.00 1.98 -1.13 -1.07 118.68 123.92 1kpp s LEU 74 Ca 0.05 1.48 0.02 0.00 -2.89 0.00 0.00 54.13 52.79 1kpp s LEU 74 Cb -0.19 -3.41 -0.04 0.00 0.66 0.00 0.00 46.19 43.21 1kpp s LEU 74 CO -0.09 -0.25 0.03 0.26 -1.89 0.00 0.00 176.35 174.41 1kpp s TRP 75 N 1.13 3.12 0.01 5.38 0.23 -0.01 -2.29 118.94 126.51 1kpp s TRP 75 Ca 0.47 0.07 0.02 0.00 -2.03 0.00 0.00 56.10 54.63 1kpp s TRP 75 Cb -0.20 -1.63 -0.01 0.00 0.03 0.00 0.00 33.47 31.66 1kpp s TRP 75 CO 0.23 0.50 -0.07 -0.51 0.96 0.00 0.00 176.95 178.05 1kpp s LEU 76 N -1.99 2.07 0.00 2.99 1.02 -1.09 -2.76 118.68 118.92 1kpp s LEU 76 Ca 0.24 -0.23 0.03 0.00 0.02 0.00 0.00 54.13 54.20 1kpp s LEU 76 Cb -0.12 -0.33 0.03 0.00 0.02 0.00 0.00 46.19 45.79 1kpp s LEU 76 CO 0.16 0.03 0.27 0.00 0.02 0.00 0.00 176.35 176.82 1kpp n LEU 77 N 2.57 0.00 -2.28 1.79 -0.00 -1.26 -4.37 117.00 113.45 1kpp n LEU 77 Ca -0.15 -2.71 -0.33 0.00 -0.00 0.00 0.00 56.01 52.82 1kpp n LEU 77 Cb 0.57 0.07 0.08 0.00 -0.00 0.00 0.00 43.42 44.14 1kpp n LEU 77 CO 0.24 -0.52 1.30 0.47 -0.00 0.00 0.00 177.39 178.89 1kpp n ASP 78 N -1.68 7.17 -0.51 1.45 9.92 -1.26 -4.80 116.55 126.84 1kpp n ASP 78 Ca -0.07 -3.78 -0.05 0.00 -0.53 0.00 0.00 54.79 50.36 1kpp n ASP 78 Cb 0.58 -0.90 -0.01 0.00 -0.64 0.00 0.00 41.12 40.15 1kpp n ASP 78 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 1kpp n THR 79 N -0.91 -0.14 0.00 -3.53 -1.04 -1.26 -4.18 114.28 103.22 1kpp n THR 79 Ca 0.60 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.61 1kpp n THR 79 Cb 0.75 -1.01 0.00 0.00 -1.82 0.00 0.00 70.33 68.24 1kpp n THR 79 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1kpp n TYR 80 N -3.51 0.00 0.09 -1.42 9.36 -1.26 -4.59 117.16 115.84 1kpp n TYR 80 Ca -0.06 0.00 -0.24 0.00 3.32 0.00 0.00 57.90 60.93 1kpp n TYR 80 Cb 0.38 0.00 -0.15 0.00 -0.63 0.00 0.00 39.34 38.94 1kpp n TYR 80 CO 0.00 0.00 0.00 -1.00 0.22 0.00 0.00 176.86 176.08 1kpp h PRO 81 N 0.00 0.44 -3.46 2.98 0.13 -2.00 -3.45 132.00 126.64 1kpp h PRO 81 Ca 0.00 -0.75 -0.71 0.00 -0.87 0.00 0.00 66.00 63.67 1kpp h PRO 81 Cb 0.00 0.28 -0.05 0.00 0.13 0.00 0.00 31.00 31.36 1kpp h PRO 81 CO 0.00 1.36 3.07 0.66 -0.23 0.00 0.00 178.00 182.86 1kpp n TYR 82 N -3.64 3.00 -0.25 1.56 4.01 -1.26 -4.82 117.16 115.75 1kpp n TYR 82 Ca -0.23 -2.96 -0.02 0.00 -0.16 0.00 0.00 57.90 54.53 1kpp n TYR 82 Cb 1.08 -2.35 0.01 0.00 -0.31 0.00 0.00 39.34 37.77 1kpp n TYR 82 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1kpp n ASN 83 N 4.47 -0.47 -4.59 7.72 3.02 -1.26 -4.44 115.26 119.70 1kpp n ASN 83 Ca 0.59 1.12 -0.51 0.00 -0.03 0.00 0.00 54.58 55.75 1kpp n ASN 83 Cb 0.32 -0.23 -0.05 0.00 -0.61 0.00 0.00 39.78 39.21 1kpp n ASN 83 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 1kpp n PRO 84 N -4.91 1.21 -1.63 3.52 -0.02 -1.26 -4.76 135.00 127.15 1kpp n PRO 84 Ca 0.05 0.43 -0.47 0.00 -2.02 0.00 0.00 63.50 61.50 1kpp n PRO 84 Cb 0.24 -2.04 -0.03 0.00 -0.02 0.00 0.00 33.50 31.65 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 2.31 1.63 -4.04 0.52 -0.02 -1.26 -4.94 135.00 129.20 1kpp n PRO 85 Ca 0.17 0.58 -0.31 0.00 -2.02 0.00 0.00 63.50 61.92 1kpp n PRO 85 Cb 0.21 -2.18 -0.06 0.00 -0.02 0.00 0.00 33.50 31.45 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 -0.03 4.75 -0.06 4.25 1.01 -1.11 -5.04 121.20 124.98 1kpp s ILE 86 Ca 0.72 -0.59 -0.00 0.00 0.00 0.00 0.00 60.65 60.78 1kpp s ILE 86 Cb -0.75 -3.26 0.02 0.00 0.01 0.00 0.00 42.46 38.49 1kpp s ILE 86 CO 0.50 0.20 -0.02 0.00 0.00 0.00 0.00 174.94 175.61 1kpp s PHE 88 N 1.39 0.79 0.05 0.00 0.08 -0.23 -3.09 117.98 116.97 1kpp s PHE 88 Ca -0.04 -0.21 -0.08 0.00 0.12 0.00 0.00 56.93 56.72 1kpp s PHE 88 Cb -0.13 -0.50 -0.05 0.00 -0.57 0.00 0.00 43.02 41.76 1kpp s PHE 88 CO -0.03 -0.01 0.35 0.54 -0.10 0.00 0.00 175.22 175.97 1kpp s VAL 89 N -0.43 5.18 -0.17 -0.44 0.11 0.33 0.63 120.40 125.60 1kpp s VAL 89 Ca 0.01 0.32 -0.01 0.00 -2.93 0.00 0.00 61.98 59.37 1kpp s VAL 89 Cb -0.05 -3.61 -0.00 0.00 -1.53 0.00 0.00 36.38 31.19 1kpp s VAL 89 CO 0.00 0.31 -0.12 -0.75 -3.33 0.00 0.00 175.10 171.21 1kpp s LYS 90 N -1.87 3.27 0.25 1.54 2.47 -1.26 -4.27 119.74 119.87 1kpp s LYS 90 Ca 0.31 -0.71 -0.04 0.00 -1.56 0.00 0.00 55.97 53.98 1kpp s LYS 90 Cb -0.14 -2.74 0.06 0.00 -1.46 0.00 0.00 37.83 33.55 1kpp s LYS 90 CO 0.18 -0.04 0.13 -2.30 0.16 0.00 0.00 175.35 173.48 1kpp n PRO 91 N 4.25 -1.26 -2.15 4.03 -0.02 -1.26 -4.79 135.00 133.80 1kpp n PRO 91 Ca -0.19 -0.22 -0.02 0.00 -2.02 0.00 0.00 63.50 61.06 1kpp n PRO 91 Cb 0.51 -0.35 -0.00 0.00 -0.02 0.00 0.00 33.50 33.64 1kpp n PRO 91 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1kpp n THR 92 N -3.20 0.00 0.03 3.45 -2.24 -1.26 -5.03 114.28 106.03 1kpp n THR 92 Ca 0.02 -0.16 -0.19 0.00 -2.27 0.00 0.00 64.05 61.45 1kpp n THR 92 Cb 0.09 0.06 -0.14 0.00 -2.10 0.00 0.00 70.33 68.24 1kpp n THR 92 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 1kpp h SER 93 N 0.12 0.40 0.27 3.42 0.87 -1.99 -3.39 113.55 113.25 1kpp h SER 93 Ca -0.02 -0.74 -0.31 0.00 -1.23 0.00 0.00 61.79 59.49 1kpp h SER 93 Cb 0.08 -0.13 -0.06 0.00 -0.44 0.00 0.00 62.40 61.85 1kpp h SER 93 CO 0.03 1.65 -2.00 -1.54 -0.53 0.00 0.00 176.83 174.44 1kpp n SER 94 N -3.44 0.45 -1.81 6.23 3.41 -1.26 -4.97 113.62 112.23 1kpp n SER 94 Ca -0.25 0.21 0.00 0.00 -0.26 0.00 0.00 58.87 58.57 1kpp n SER 94 Cb 1.05 0.50 0.00 0.00 -0.26 0.00 0.00 64.21 65.50 1kpp n SER 94 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1kpp n MET 95 N -2.88 1.01 0.00 4.33 2.00 -1.26 -5.14 117.12 115.18 1kpp n MET 95 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.47 1kpp n MET 95 Cb 1.07 0.00 0.00 0.00 0.00 0.00 0.00 33.22 34.29 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 -1.06 0.00 -4.20 2.03 5.66 -1.03 -4.31 114.28 111.37 1kpp n THR 96 Ca 0.00 0.00 -0.16 0.00 -3.05 0.00 0.00 64.05 60.84 1kpp n THR 96 Cb 0.00 0.00 -0.14 0.00 -1.55 0.00 0.00 70.33 68.64 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 -0.95 0.57 0.03 1.09 1.10 -1.09 -4.36 121.20 117.58 1kpp s ILE 97 Ca 0.00 -0.53 0.04 0.00 -0.51 0.00 0.00 60.65 59.66 1kpp s ILE 97 Cb 0.00 -0.52 -0.03 0.00 0.15 0.00 0.00 42.46 42.06 1kpp s ILE 97 CO 0.00 0.01 -0.08 -1.59 -2.11 0.00 0.00 174.94 171.16 1kpp s LYS 98 N -0.57 2.42 -0.09 3.50 0.00 -0.07 -4.45 119.74 120.48 1kpp s LYS 98 Ca -0.01 -0.81 0.02 0.00 0.00 0.00 0.00 55.97 55.18 1kpp s LYS 98 Cb -0.05 -2.43 -0.02 0.00 0.00 0.00 0.00 37.83 35.33 1kpp s LYS 98 CO 0.00 0.58 -0.15 0.95 0.00 0.00 0.00 175.35 176.73 1kpp s THR 99 N -1.04 2.92 0.00 3.79 -4.23 -1.24 -4.41 115.64 111.44 1kpp s THR 99 Ca 0.18 -0.74 0.00 0.00 -1.18 0.00 0.00 61.69 59.95 1kpp s THR 99 Cb -0.11 -2.18 0.00 0.00 1.34 0.00 0.00 72.50 71.55 1kpp s THR 99 CO 0.09 0.56 0.00 0.61 -0.54 0.00 0.00 174.62 175.33 1kpp n GLY 100 N 2.98 -0.43 0.00 3.99 0.00 -1.26 -4.81 105.19 105.67 1kpp n GLY 100 Ca -0.18 0.61 0.00 0.00 0.00 0.00 0.00 46.02 46.45 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 0.00 -3.14 1.61 4.76 -1.26 -4.50 118.16 115.63 1kpp n LYS 101 Ca 0.00 0.55 -0.18 0.00 -2.87 0.00 0.00 58.31 55.81 1kpp n LYS 101 Cb 0.00 -1.43 -0.03 0.00 -1.84 0.00 0.00 35.03 31.73 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 -2.02 -0.32 -0.16 2.13 1.44 -1.26 -4.81 115.22 110.22 1kpp n HIS 102 Ca 0.00 -3.55 0.00 0.00 -2.01 0.00 0.00 57.72 52.16 1kpp n HIS 102 Cb 0.00 -0.17 0.00 0.00 0.12 0.00 0.00 29.99 29.94 1kpp n HIS 102 CO 0.00 0.00 0.00 0.28 -2.81 0.00 0.00 176.34 173.81 1kpp n VAL 103 N 0.62 0.00 -1.43 0.61 0.31 -1.25 -3.34 118.33 113.85 1kpp n VAL 103 Ca 0.22 -0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.43 1kpp n VAL 103 Cb 0.63 1.16 0.00 0.00 -0.91 0.00 0.00 33.84 34.72 1kpp n VAL 103 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1kpp n ASP 104 N -0.19 -1.52 -0.10 4.52 8.00 -1.12 -3.00 116.55 123.15 1kpp n ASP 104 Ca 0.00 0.00 -0.24 0.00 0.71 0.00 0.00 54.79 55.26 1kpp n ASP 104 Cb 0.04 0.00 -0.12 0.00 -0.02 0.00 0.00 41.12 41.02 1kpp n ASP 104 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1kpp n ALA 105 N 0.28 1.00 0.40 2.24 0.00 -1.26 -3.73 120.51 119.43 1kpp n ALA 105 Ca 0.00 -0.76 0.13 0.00 0.00 0.00 0.00 53.44 52.81 1kpp n ALA 105 Cb 0.00 -0.33 0.42 0.00 0.00 0.00 0.00 19.45 19.54 1kpp n ALA 105 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 1kpp h ASN 106 N -0.67 0.00 0.00 0.00 -0.00 -1.95 -3.46 115.58 109.50 1kpp h ASN 106 Ca -0.50 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 55.80 1kpp h ASN 106 Cb 1.61 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.93 1kpp h ASN 106 CO -0.20 0.00 0.00 0.61 -0.00 0.00 0.00 177.43 177.84 1kpp n GLY 107 N 0.69 1.76 3.62 1.57 0.00 -1.18 -4.66 105.19 107.00 1kpp n GLY 107 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 1kpp n GLY 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kpp s LYS 108 N -0.02 3.94 -0.46 1.61 3.01 -1.16 0.12 119.74 126.77 1kpp s LYS 108 Ca 0.00 0.75 -0.28 0.00 -1.01 0.00 0.00 55.97 55.43 1kpp s LYS 108 Cb 0.00 -3.77 0.00 0.00 -1.01 0.00 0.00 37.83 33.05 1kpp s LYS 108 CO 0.00 -0.89 1.54 0.42 0.51 0.00 0.00 175.35 176.93 1kpp s ILE 109 N 3.46 3.73 -0.55 2.17 1.09 -1.18 -2.78 121.20 127.14 1kpp s ILE 109 Ca 0.40 0.68 -0.02 0.00 -1.10 0.00 0.00 60.65 60.61 1kpp s ILE 109 Cb -0.12 -4.14 0.33 0.00 -1.06 0.00 0.00 42.46 37.47 1kpp s ILE 109 CO 0.17 -0.83 2.09 -1.22 -0.10 0.00 0.00 174.94 175.04 1kpp n TYR 110 N 9.75 2.52 -1.68 3.97 4.01 -1.21 -4.82 117.16 129.69 1kpp n TYR 110 Ca 0.17 -2.53 -0.42 0.00 -0.16 0.00 0.00 57.90 54.96 1kpp n TYR 110 Cb 0.49 -1.26 -0.03 0.00 -0.31 0.00 0.00 39.34 38.23 1kpp n TYR 110 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1kpp s LEU 111 N -3.04 4.41 0.51 7.72 1.43 -1.26 -4.74 118.68 123.70 1kpp s LEU 111 Ca 0.52 2.64 0.30 0.00 -1.03 0.00 0.00 54.13 56.56 1kpp s LEU 111 Cb 0.40 -3.53 1.18 0.00 0.03 0.00 0.00 46.19 44.28 1kpp s LEU 111 CO -0.06 -1.08 1.92 1.55 0.23 0.00 0.00 176.35 178.92 1kpp h PRO 112 N 10.69 0.00 0.52 1.29 0.13 -1.95 -3.29 132.00 139.38 1kpp h PRO 112 Ca -0.49 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.62 1kpp h PRO 112 Cb 1.24 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 1kpp h PRO 112 CO 0.94 0.06 -0.39 1.88 -0.23 0.00 0.00 178.00 180.27 1kpp h TYR 113 N 0.00 -1.05 -1.02 1.56 -1.99 -1.93 -2.07 116.97 110.47 1kpp h TYR 113 Ca -0.00 -0.00 0.29 0.00 2.00 0.00 0.00 58.73 61.02 1kpp h TYR 113 Cb 0.61 0.39 -0.13 0.00 2.00 0.00 0.00 36.73 39.59 1kpp h TYR 113 CO 0.00 -0.55 0.60 1.25 -0.00 0.00 0.00 178.16 179.47 1kpp h LEU 114 N -0.87 0.56 0.02 3.88 5.85 -1.93 0.50 115.31 123.33 1kpp h LEU 114 Ca -0.07 0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.81 1kpp h LEU 114 Cb 0.72 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.82 1kpp h LEU 114 CO 0.03 -0.02 -0.04 0.45 -0.34 0.00 0.00 178.44 178.51 1kpp h HIS 115 N 0.43 -0.10 -0.90 1.25 3.86 -1.58 -2.73 115.15 115.37 1kpp h HIS 115 Ca 0.69 0.00 -0.55 0.00 -1.16 0.00 0.00 60.37 59.35 1kpp h HIS 115 Cb 1.52 0.04 -0.29 0.00 1.06 0.00 0.00 27.41 29.74 1kpp h HIS 115 CO -0.01 -0.07 0.55 -0.85 0.86 0.00 0.00 177.93 178.42 1kpp n GLU 116 N -5.15 2.50 -3.71 2.45 0.28 0.41 -4.94 120.64 112.47 1kpp n GLU 116 Ca -0.07 -3.24 -0.37 0.00 -0.16 0.00 0.00 57.16 53.32 1kpp n GLU 116 Cb 0.08 -2.19 -0.11 0.00 1.43 0.00 0.00 31.44 30.65 1kpp n GLU 116 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 177.13 176.51 1kpp s TRP 117 N -3.55 3.22 0.00 -1.84 -0.00 0.15 -4.91 118.94 112.01 1kpp s TRP 117 Ca 0.59 0.02 0.00 0.00 -0.00 0.00 0.00 56.10 56.71 1kpp s TRP 117 Cb 0.48 -2.27 0.00 0.00 -0.00 0.00 0.00 33.47 31.68 1kpp s TRP 117 CO 0.04 -0.09 0.48 0.36 -0.00 0.00 0.00 176.95 177.74 1kpp n LYS 118 N 4.57 0.00 0.00 5.86 0.00 -1.26 -4.85 118.16 122.48 1kpp n LYS 118 Ca -0.15 -0.48 0.00 0.00 -0.00 0.00 0.00 58.31 57.68 1kpp n LYS 118 Cb 0.52 -0.49 0.00 0.00 -0.00 0.00 0.00 35.03 35.06 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 0.00 0.26 5.58 1.44 -1.26 -4.67 115.22 116.56 1kpp n HIS 119 Ca 0.00 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.83 1kpp n HIS 119 Cb 0.50 0.00 0.16 0.00 0.12 0.00 0.00 29.99 30.77 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 -1.66 -1.40 0.14 -2.03 -3.41 132.00 123.64 1kpp h PRO 120 Ca 0.00 0.00 -0.49 0.00 0.14 0.00 0.00 66.00 65.65 1kpp h PRO 120 Cb 0.00 0.00 -0.41 0.00 0.14 0.00 0.00 31.00 30.73 1kpp h PRO 120 CO 0.00 0.00 -0.97 0.00 0.14 0.00 0.00 178.00 177.17 1kpp n GLN 121 N -2.89 2.08 -1.08 0.86 0.00 -1.26 -4.99 117.38 110.09 1kpp n GLN 121 Ca 0.03 -3.92 -0.40 0.00 0.00 0.00 0.00 57.00 52.71 1kpp n GLN 121 Cb 0.52 -1.81 -0.05 0.00 0.00 0.00 0.00 30.24 28.90 1kpp n GLN 121 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1kpp n SER 122 N -0.11 2.80 -1.81 2.61 2.88 -1.26 -3.98 113.62 114.75 1kpp n SER 122 Ca 0.25 -2.63 -0.07 0.00 -1.33 0.00 0.00 58.87 55.09 1kpp n SER 122 Cb 0.65 -1.10 -0.03 0.00 -0.75 0.00 0.00 64.21 62.98 1kpp n SER 122 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1kpp n ASP 123 N 7.03 -0.19 -0.30 -3.46 -0.08 -1.26 -4.90 116.55 113.39 1kpp n ASP 123 Ca 0.48 -1.77 -0.05 0.00 -1.51 0.00 0.00 54.79 51.95 1kpp n ASP 123 Cb 0.36 0.58 0.07 0.00 2.34 0.00 0.00 41.12 44.47 1kpp n ASP 123 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 1kpp h LEU 124 N 0.00 1.08 0.15 -2.67 5.85 -1.93 -0.47 115.31 117.31 1kpp h LEU 124 Ca -0.08 -0.14 0.01 0.00 0.84 0.00 0.00 57.88 58.51 1kpp h LEU 124 Cb 0.42 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 1kpp h LEU 124 CO 0.12 0.91 -0.22 0.25 -0.34 0.00 0.00 178.44 179.17 1kpp h LEU 125 N 1.17 -0.60 -1.33 2.25 5.85 -1.88 -2.18 115.31 118.58 1kpp h LEU 125 Ca 0.28 0.07 -0.07 0.00 0.84 0.00 0.00 57.88 59.00 1kpp h LEU 125 Cb 0.12 0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 1kpp h LEU 125 CO -0.04 -0.31 -0.33 1.23 -0.34 0.00 0.00 178.44 178.65 1kpp h GLY 126 N -0.43 0.00 1.17 3.75 0.00 -1.66 -2.61 103.07 103.29 1kpp h GLY 126 Ca 0.02 0.00 0.10 0.00 0.00 0.00 0.00 47.33 47.45 1kpp h GLY 126 CO -0.10 0.00 0.33 -2.00 0.00 0.00 0.00 176.54 174.77 1kpp h LEU 127 N 0.00 0.19 0.00 3.11 6.46 -0.44 0.10 115.31 124.74 1kpp h LEU 127 Ca -0.00 0.00 -0.13 0.00 -0.12 0.00 0.00 57.88 57.63 1kpp h LEU 127 Cb 0.60 -0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 40.47 1kpp h LEU 127 CO 0.04 0.11 -0.80 0.40 -0.62 0.00 0.00 178.44 177.58 1kpp h ILE 128 N 0.21 0.83 0.05 4.05 1.08 -1.22 -3.32 117.51 119.18 1kpp h ILE 128 Ca 0.22 -2.25 -0.00 0.00 -0.39 0.00 0.00 64.86 62.44 1kpp h ILE 128 Cb 0.60 2.35 0.00 0.00 -3.07 0.00 0.00 36.82 36.70 1kpp h ILE 128 CO -0.04 0.47 -0.02 -0.61 -0.69 0.00 0.00 178.15 177.26 1kpp h GLN 129 N 0.00 -0.06 -0.80 2.37 4.15 -0.79 -3.10 115.11 116.88 1kpp h GLN 129 Ca -0.05 0.00 0.19 0.00 0.77 0.00 0.00 58.65 59.57 1kpp h GLN 129 Cb 1.47 0.01 -0.13 0.00 0.21 0.00 0.00 27.48 29.05 1kpp h GLN 129 CO 0.07 0.54 0.17 -0.24 -1.93 0.00 0.00 178.83 177.43 1kpp h VAL 130 N -0.74 0.40 -0.86 2.39 3.04 -1.28 0.38 116.25 119.57 1kpp h VAL 130 Ca -0.01 -0.07 0.00 0.00 -1.01 0.00 0.00 66.70 65.61 1kpp h VAL 130 Cb 0.63 0.16 -0.04 0.00 -2.01 0.00 0.00 31.29 30.03 1kpp h VAL 130 CO 0.01 0.04 0.55 0.24 -1.01 0.00 0.00 177.57 177.40 1kpp h MET 131 N 0.21 1.15 -0.22 4.17 2.86 -1.66 0.02 114.93 121.45 1kpp h MET 131 Ca 0.47 -0.08 0.06 0.00 -2.06 0.00 0.00 59.70 58.09 1kpp h MET 131 Cb 0.87 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 32.27 1kpp h MET 131 CO -0.60 0.78 0.24 0.97 1.06 0.00 0.00 176.91 179.36 1kpp h ILE 132 N 1.17 0.47 0.00 -1.22 2.10 -0.15 0.40 117.51 120.28 1kpp h ILE 132 Ca 0.31 0.00 -0.20 0.00 1.08 0.00 0.00 64.86 66.06 1kpp h ILE 132 Cb -0.10 0.81 -0.03 0.00 -1.09 0.00 0.00 36.82 36.41 1kpp h ILE 132 CO -0.06 0.00 -1.31 0.52 -1.08 0.00 0.00 178.15 176.22 1kpp n VAL 133 N -3.81 1.50 0.02 2.19 0.31 -0.45 -2.75 118.33 115.34 1kpp n VAL 133 Ca 0.03 -0.02 0.20 0.00 -0.01 0.00 0.00 64.34 64.54 1kpp n VAL 133 Cb 0.37 -2.13 0.70 0.00 -0.91 0.00 0.00 33.84 31.88 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 0.69 0.00 2.52 2.07 -0.77 0.25 116.25 120.02 1kpp h VAL 134 Ca -0.30 0.00 -0.21 0.00 0.82 0.00 0.00 66.70 67.02 1kpp h VAL 134 Cb 1.14 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 31.61 1kpp h VAL 134 CO -0.18 0.00 -1.27 -0.26 0.02 0.00 0.00 177.57 175.88 1kpp h PHE 135 N 0.00 0.00 0.00 1.57 -1.00 -0.38 -3.21 116.94 113.92 1kpp h PHE 135 Ca 0.24 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.02 1kpp h PHE 135 Cb 0.99 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.55 1kpp h PHE 135 CO 0.00 0.79 0.00 0.41 -1.61 0.00 0.00 178.31 177.90 1kpp n GLY 136 N 1.41 -1.45 0.10 -1.45 0.00 0.80 -3.13 105.19 101.46 1kpp n GLY 136 Ca -0.08 0.04 -0.10 0.00 0.00 0.00 0.00 46.02 45.88 1kpp n GLY 136 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1kpp n ASP 137 N -2.23 0.41 -3.16 1.61 -0.08 -0.67 -4.73 116.55 107.71 1kpp n ASP 137 Ca 0.04 0.14 0.03 0.00 -1.51 0.00 0.00 54.79 53.49 1kpp n ASP 137 Cb 0.31 0.55 -0.01 0.00 2.34 0.00 0.00 41.12 44.31 1kpp n ASP 137 CO 0.00 0.00 0.00 -1.83 0.12 0.00 0.00 177.20 175.49 1kpp s GLU 138 N -2.53 0.56 -0.04 -0.67 1.03 -1.18 -5.13 118.70 110.73 1kpp s GLU 138 Ca -0.09 0.95 -0.35 0.00 0.03 0.00 0.00 54.97 55.51 1kpp s GLU 138 Cb 0.07 0.49 -0.13 0.00 -0.80 0.00 0.00 34.13 33.75 1kpp s GLU 138 CO 0.82 -0.66 1.75 -2.30 -1.33 0.00 0.00 175.26 173.55 1kpp n PRO 139 N 5.43 1.95 -0.53 -4.83 -0.02 -1.22 -4.50 135.00 131.28 1kpp n PRO 139 Ca -0.01 0.71 -0.05 0.00 -2.02 0.00 0.00 63.50 62.14 1kpp n PRO 139 Cb 0.51 -2.50 0.13 0.00 -0.02 0.00 0.00 33.50 31.62 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 5.41 2.16 -0.00 0.52 -0.04 -1.26 -3.75 135.00 138.04 1kpp n PRO 140 Ca 0.22 -1.48 0.02 0.00 -0.04 0.00 0.00 63.50 62.21 1kpp n PRO 140 Cb 0.26 -1.70 -0.03 0.00 -0.04 0.00 0.00 33.50 31.99 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 -0.04 0.00 -0.16 0.52 0.31 -1.26 -3.56 118.33 114.14 1kpp n VAL 141 Ca 0.22 -0.31 0.00 0.00 -0.01 0.00 0.00 64.34 64.24 1kpp n VAL 141 Cb 0.91 0.82 0.00 0.00 -0.91 0.00 0.00 33.84 34.67 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 -1.27 -1.09 -2.85 3.52 7.35 -1.25 -2.48 117.46 119.40 1kpp n PHE 142 Ca 0.00 0.00 -0.27 0.00 -0.76 0.00 0.00 57.45 56.43 1kpp n PHE 142 Cb 0.08 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 39.88 1kpp n PHE 142 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 1kpp n SER 143 N -0.75 4.42 -2.56 -2.13 7.64 -1.26 -0.89 113.62 118.08 1kpp n SER 143 Ca 0.00 -3.67 -0.03 0.00 1.01 0.00 0.00 58.87 56.18 1kpp n SER 143 Cb 0.00 -0.54 0.00 0.00 -1.01 0.00 0.00 64.21 62.66 1kpp n SER 143 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1kpp n ARG 144 N -0.28 -2.60 0.00 1.43 3.00 -1.26 -4.98 116.66 111.97 1kpp n ARG 144 Ca 0.32 2.22 0.08 0.00 -0.00 0.00 0.00 57.85 60.48 1kpp n ARG 144 Cb 0.46 -4.82 0.47 0.00 0.00 0.00 0.00 32.46 28.57 1kpp n ARG 144 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28