#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 -2.54 -1.04 0.00 0.31 -1.26 -4.39 118.33 109.41 1kpp n VAL 3 Ca 0.00 -0.08 0.12 0.00 -0.01 0.00 0.00 64.34 64.38 1kpp n VAL 3 Cb 0.00 -3.46 -0.07 0.00 -0.91 0.00 0.00 33.84 29.41 1kpp n VAL 3 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1kpp n SER 4 N -1.82 -5.64 0.12 4.52 2.88 -1.26 -3.17 113.62 109.26 1kpp n SER 4 Ca -0.04 1.06 0.16 0.00 -1.33 0.00 0.00 58.87 58.72 1kpp n SER 4 Cb 0.56 -3.59 0.70 0.00 -0.75 0.00 0.00 64.21 61.13 1kpp n SER 4 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 1kpp h GLU 5 N -1.02 0.00 -0.93 -1.46 4.81 -2.01 -1.06 114.58 112.91 1kpp h GLU 5 Ca -0.15 0.00 0.14 0.00 -0.13 0.00 0.00 59.36 59.22 1kpp h GLU 5 Cb 1.00 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 30.30 1kpp h GLU 5 CO 0.06 0.00 0.59 1.03 -0.73 0.00 0.00 179.01 179.96 1kpp h SER 6 N 0.00 0.75 -0.22 1.04 0.87 -1.92 -0.79 113.55 113.28 1kpp h SER 6 Ca 0.14 0.04 -0.05 0.00 -1.23 0.00 0.00 61.79 60.69 1kpp h SER 6 Cb 0.59 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.44 1kpp h SER 6 CO -0.00 0.39 -0.07 -0.61 -0.53 0.00 0.00 176.83 176.00 1kpp h GLN 7 N 0.80 0.43 -0.36 2.24 5.75 -1.14 -2.96 115.11 119.87 1kpp h GLN 7 Ca 0.47 -0.17 0.02 0.00 -0.15 0.00 0.00 58.65 58.82 1kpp h GLN 7 Cb 0.64 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.15 1kpp h GLN 7 CO -0.23 0.69 0.24 1.25 -2.65 0.00 0.00 178.83 178.12 1kpp h LEU 8 N 0.15 0.35 0.02 -2.39 5.85 -1.27 -1.65 115.31 116.35 1kpp h LEU 8 Ca 0.05 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.78 1kpp h LEU 8 Cb 0.54 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 1kpp h LEU 8 CO 0.02 0.24 -0.06 0.50 -0.34 0.00 0.00 178.44 178.80 1kpp h LYS 9 N 0.40 -0.12 -0.15 1.25 3.64 -1.02 0.37 116.57 120.95 1kpp h LYS 9 Ca 0.14 0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.44 1kpp h LYS 9 Cb 0.07 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 1kpp h LYS 9 CO -0.03 -0.08 -0.29 -0.22 -2.27 0.00 0.00 179.45 176.56 1kpp h LYS 10 N -0.12 0.28 -0.25 1.90 3.11 -1.42 -0.18 116.57 119.89 1kpp h LYS 10 Ca 0.02 -0.10 -0.15 0.00 -2.81 0.00 0.00 60.65 57.61 1kpp h LYS 10 Cb 0.14 -0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 31.35 1kpp h LYS 10 CO -0.06 0.56 -0.45 0.52 -2.81 0.00 0.00 179.45 177.21 1kpp h MET 11 N 0.25 0.65 -0.64 1.90 2.86 -0.76 -2.97 114.93 116.22 1kpp h MET 11 Ca 0.04 -0.36 0.00 0.00 -2.06 0.00 0.00 59.70 57.32 1kpp h MET 11 Cb 0.65 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.33 1kpp h MET 11 CO 0.05 0.97 0.00 1.33 1.06 0.00 0.00 176.91 180.31 1kpp n VAL 12 N -4.01 2.16 0.00 -2.22 0.24 0.12 -4.36 118.33 110.26 1kpp n VAL 12 Ca -0.02 -1.25 -0.07 0.00 -2.04 0.00 0.00 64.34 60.96 1kpp n VAL 12 Cb 0.55 -0.04 0.10 0.00 -1.47 0.00 0.00 33.84 32.99 1kpp n VAL 12 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1kpp h SER 13 N 4.04 0.57 0.37 -1.34 0.02 -0.86 -2.87 113.55 113.48 1kpp h SER 13 Ca 0.00 -0.27 -0.07 0.00 -0.84 0.00 0.00 61.79 60.62 1kpp h SER 13 Cb 1.64 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 64.01 1kpp h SER 13 CO 0.33 0.94 -0.31 0.11 -1.14 0.00 0.00 176.83 176.76 1kpp h LYS 14 N 0.43 0.00 -6.24 3.45 6.56 -1.78 -3.43 116.57 115.56 1kpp h LYS 14 Ca 0.03 0.00 -0.59 0.00 -1.06 0.00 0.00 60.65 59.03 1kpp h LYS 14 Cb 0.95 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 32.63 1kpp h LYS 14 CO 0.08 0.31 1.23 0.66 -2.06 0.00 0.00 179.45 179.67 1kpp n TYR 15 N -4.04 2.29 -0.22 -1.35 4.02 -1.08 -4.86 117.16 111.91 1kpp n TYR 15 Ca -0.02 -0.13 -0.04 0.00 -0.01 0.00 0.00 57.90 57.70 1kpp n TYR 15 Cb 0.37 -2.71 0.06 0.00 -0.02 0.00 0.00 39.34 37.03 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 10.79 0.75 -1.09 -0.72 3.64 -1.70 -2.06 116.57 126.18 1kpp h LYS 16 Ca -0.46 -0.04 -0.45 0.00 -1.27 0.00 0.00 60.65 58.42 1kpp h LYS 16 Cb 1.26 -0.17 -0.23 0.00 -0.41 0.00 0.00 32.23 32.68 1kpp h LYS 16 CO 0.95 0.49 0.58 2.48 -2.27 0.00 0.00 179.45 181.69 1kpp n TYR 17 N -4.71 2.44 -0.28 1.91 4.11 -1.24 -4.57 117.16 114.83 1kpp n TYR 17 Ca 0.06 -1.96 0.31 0.00 -0.00 0.00 0.00 57.90 56.31 1kpp n TYR 17 Cb 0.08 -0.97 0.71 0.00 -0.00 0.00 0.00 39.34 39.15 1kpp n TYR 17 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.86 176.77 1kpp h ARG 18 N 1.17 0.06 -0.46 -3.48 2.43 -1.63 0.71 114.38 113.18 1kpp h ARG 18 Ca 0.49 -0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.61 1kpp h ARG 18 Cb 1.83 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 31.35 1kpp h ARG 18 CO 1.01 0.04 0.11 0.22 -1.51 0.00 0.00 179.97 179.84 1kpp h ASP 19 N 0.06 0.70 1.40 -3.80 3.58 -1.86 0.58 116.42 117.09 1kpp h ASP 19 Ca 0.53 -0.24 -0.12 0.00 0.42 0.00 0.00 57.03 57.62 1kpp h ASP 19 Cb 1.97 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 42.82 1kpp h ASP 19 CO -0.05 0.76 -0.61 -0.07 -2.88 0.00 0.00 179.24 176.38 1kpp h LEU 20 N 0.62 0.00 0.14 2.28 3.38 -0.32 -2.69 115.31 118.71 1kpp h LEU 20 Ca 0.14 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 1kpp h LEU 20 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1kpp h LEU 20 CO 0.00 0.55 -0.07 0.74 0.09 0.00 0.00 178.44 179.75 1kpp h THR 21 N 0.00 0.81 0.00 0.22 2.02 0.42 0.11 112.91 116.50 1kpp h THR 21 Ca -0.02 -1.20 -0.03 0.00 0.77 0.00 0.00 66.41 65.93 1kpp h THR 21 Cb 1.43 1.40 -0.00 0.00 -1.74 0.00 0.00 68.15 69.24 1kpp h THR 21 CO 0.07 0.22 -0.16 0.58 0.37 0.00 0.00 175.52 176.61 1kpp h VAL 22 N -0.90 1.11 0.13 3.16 2.07 0.05 0.53 116.25 122.41 1kpp h VAL 22 Ca -0.02 -0.54 -0.19 0.00 0.82 0.00 0.00 66.70 66.77 1kpp h VAL 22 Cb 0.52 1.29 0.02 0.00 -1.52 0.00 0.00 31.29 31.59 1kpp h VAL 22 CO 0.03 0.15 -0.85 -0.09 0.02 0.00 0.00 177.57 176.83 1kpp h ARG 23 N 0.00 0.28 -0.30 1.57 2.43 -1.53 -2.93 114.38 113.90 1kpp h ARG 23 Ca -0.00 -0.48 -0.18 0.00 -0.81 0.00 0.00 59.98 58.50 1kpp h ARG 23 Cb 0.28 0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 1kpp h ARG 23 CO 0.02 1.23 -0.53 0.93 -1.51 0.00 0.00 179.97 180.11 1kpp h GLU 24 N -0.39 0.88 -0.20 0.20 4.39 -0.58 -2.42 114.58 116.47 1kpp h GLU 24 Ca -0.16 -0.55 -0.00 0.00 0.34 0.00 0.00 59.36 58.99 1kpp h GLU 24 Cb 1.63 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 30.34 1kpp h GLU 24 CO 0.14 1.19 0.11 1.15 -1.16 0.00 0.00 179.01 180.44 1kpp h THR 25 N 0.68 1.10 -0.28 1.13 2.02 -0.06 -2.37 112.91 115.13 1kpp h THR 25 Ca 0.02 -0.27 -0.00 0.00 0.77 0.00 0.00 66.41 66.93 1kpp h THR 25 Cb 1.14 0.92 -0.01 0.00 -1.74 0.00 0.00 68.15 68.46 1kpp h THR 25 CO 0.12 0.10 0.17 1.62 0.37 0.00 0.00 175.52 177.89 1kpp h VAL 26 N 0.22 1.10 -0.14 3.16 3.04 -1.54 -2.09 116.25 120.01 1kpp h VAL 26 Ca 0.07 -0.24 0.04 0.00 -1.01 0.00 0.00 66.70 65.56 1kpp h VAL 26 Cb 0.06 0.76 -0.01 0.00 -2.01 0.00 0.00 31.29 30.09 1kpp h VAL 26 CO -0.01 0.10 0.15 -1.13 -1.01 0.00 0.00 177.57 175.67 1kpp h ASN 27 N 0.35 0.00 0.54 3.17 -0.73 -1.28 -0.27 115.58 117.37 1kpp h ASN 27 Ca 0.10 0.00 -0.03 0.00 1.87 0.00 0.00 56.30 58.24 1kpp h ASN 27 Cb 0.01 0.00 0.01 0.00 0.27 0.00 0.00 38.32 38.61 1kpp h ASN 27 CO -0.02 0.00 -0.26 0.58 -0.37 0.00 0.00 177.43 177.36 1kpp h VAL 28 N 0.00 0.22 0.00 2.57 2.07 -0.83 -3.03 116.25 117.25 1kpp h VAL 28 Ca 0.07 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.15 1kpp h VAL 28 Cb 0.37 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 1kpp h VAL 28 CO -0.00 0.04 0.00 0.16 0.02 0.00 0.00 177.57 177.79 1kpp h ILE 29 N -1.08 0.00 -0.53 4.57 -2.65 -1.44 -1.62 117.51 114.76 1kpp h ILE 29 Ca -0.07 -0.55 -0.05 0.00 1.03 0.00 0.00 64.86 65.21 1kpp h ILE 29 Cb 0.62 1.53 -0.02 0.00 -2.05 0.00 0.00 36.82 36.90 1kpp h ILE 29 CO 0.12 0.00 0.12 0.00 0.03 0.00 0.00 178.15 178.43 1kpp h THR 30 N 0.00 1.24 0.11 0.16 1.03 -1.02 -3.29 112.91 111.14 1kpp h THR 30 Ca 0.00 -0.87 -0.31 0.00 -0.01 0.00 0.00 66.41 65.22 1kpp h THR 30 Cb 0.56 0.80 -0.01 0.00 -1.07 0.00 0.00 68.15 68.43 1kpp h THR 30 CO 0.00 0.32 -1.62 0.17 -0.01 0.00 0.00 175.52 174.38 1kpp h LEU 31 N 0.74 0.35 -8.22 0.00 8.10 -1.45 -3.44 115.31 111.39 1kpp h LEU 31 Ca 0.17 -0.84 -0.70 0.00 0.11 0.00 0.00 57.88 56.61 1kpp h LEU 31 Cb 0.34 -0.11 -0.28 0.00 -0.44 0.00 0.00 40.66 40.17 1kpp h LEU 31 CO 0.00 1.70 -0.56 -0.31 -4.11 0.00 0.00 178.44 175.16 1kpp s TYR 32 N -2.49 3.27 -1.31 0.17 2.02 -0.62 -5.00 117.35 113.39 1kpp s TYR 32 Ca -0.22 -1.34 -0.07 0.00 -0.37 0.00 0.00 57.07 55.07 1kpp s TYR 32 Cb 0.05 -2.42 0.14 0.00 -0.40 0.00 0.00 41.96 39.33 1kpp s TYR 32 CO 0.75 -0.73 2.15 1.63 -1.57 0.00 0.00 175.55 177.78 1kpp n LYS 33 N 4.87 4.12 0.00 -0.62 5.02 -1.25 -4.06 118.16 126.25 1kpp n LYS 33 Ca -0.12 -3.47 0.00 0.00 -2.02 0.00 0.00 58.31 52.70 1kpp n LYS 33 Cb 0.45 -2.77 0.00 0.00 -0.02 0.00 0.00 35.03 32.69 1kpp n LYS 33 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1kpp n ASP 34 N 2.75 0.00 -4.78 4.39 9.92 -1.26 -5.10 116.55 122.47 1kpp n ASP 34 Ca 0.52 0.00 -0.41 0.00 -0.53 0.00 0.00 54.79 54.37 1kpp n ASP 34 Cb 0.30 0.08 -0.01 0.00 -0.64 0.00 0.00 41.12 40.85 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 -4.11 4.35 -0.29 0.64 2.01 -1.26 -4.18 118.68 115.86 1kpp s LEU 35 Ca 0.00 2.92 0.03 0.00 0.01 0.00 0.00 54.13 57.09 1kpp s LEU 35 Cb 0.00 -3.66 0.08 0.00 0.01 0.00 0.00 46.19 42.61 1kpp s LEU 35 CO 0.00 -0.76 -0.04 -0.75 1.01 0.00 0.00 176.35 175.82 1kpp s LYS 36 N -1.99 1.80 0.10 1.70 2.47 0.28 -4.87 119.74 119.23 1kpp s LYS 36 Ca 0.51 -1.45 -0.31 0.00 -1.56 0.00 0.00 55.97 53.16 1kpp s LYS 36 Cb -0.44 -2.90 -0.08 0.00 -1.46 0.00 0.00 37.83 32.95 1kpp s LYS 36 CO 0.59 -0.72 1.46 -1.25 0.16 0.00 0.00 175.35 175.59 1kpp s PRO 37 N 1.11 4.28 0.19 4.03 0.04 -1.26 -1.03 135.00 142.35 1kpp s PRO 37 Ca -0.01 2.14 0.05 0.00 0.04 0.00 0.00 61.00 63.23 1kpp s PRO 37 Cb -0.19 -3.34 -0.05 0.00 0.04 0.00 0.00 34.50 30.96 1kpp s PRO 37 CO -0.07 -0.53 -0.08 0.08 0.04 0.00 0.00 177.00 176.44 1kpp s VAL 38 N 1.55 1.26 -0.57 -0.36 1.01 0.25 -4.77 120.40 118.77 1kpp s VAL 38 Ca 0.67 -2.08 -0.01 0.00 0.00 0.00 0.00 61.98 60.56 1kpp s VAL 38 Cb -0.38 -2.06 0.15 0.00 0.00 0.00 0.00 36.38 34.09 1kpp s VAL 38 CO 0.30 -0.57 0.35 -0.22 0.00 0.00 0.00 175.10 174.96 1kpp s LEU 39 N -3.25 4.97 -0.26 3.92 1.98 -1.26 0.60 118.68 125.37 1kpp s LEU 39 Ca 0.22 -2.80 -0.06 0.00 -2.89 0.00 0.00 54.13 48.60 1kpp s LEU 39 Cb 0.03 -1.78 -0.01 0.00 0.66 0.00 0.00 46.19 45.09 1kpp s LEU 39 CO 0.05 -0.35 0.05 -0.62 -1.89 0.00 0.00 176.35 173.59 1kpp s ASP 40 N 0.53 4.94 0.17 3.68 2.15 0.02 -4.91 116.67 123.25 1kpp s ASP 40 Ca 0.16 -0.48 -0.28 0.00 0.43 0.00 0.00 52.55 52.38 1kpp s ASP 40 Cb -0.22 -1.86 -0.08 0.00 -0.30 0.00 0.00 42.92 40.46 1kpp s ASP 40 CO -0.03 -0.10 0.86 -0.94 -0.17 0.00 0.00 175.17 174.79 1kpp s SER 41 N 1.53 7.48 -0.07 -0.34 1.04 -1.26 -2.72 113.70 119.36 1kpp s SER 41 Ca 0.04 1.76 0.03 0.00 0.48 0.00 0.00 55.95 58.26 1kpp s SER 41 Cb -0.16 -2.55 -0.02 0.00 0.10 0.00 0.00 66.02 63.39 1kpp s SER 41 CO 0.02 0.13 -0.16 -0.47 0.98 0.00 0.00 173.24 173.73 1kpp s TYR 42 N -0.85 2.67 -0.04 5.02 5.04 -0.18 -4.91 117.35 124.10 1kpp s TYR 42 Ca 0.40 -0.40 -0.18 0.00 -2.44 0.00 0.00 57.07 54.44 1kpp s TYR 42 Cb -0.24 -1.68 -0.05 0.00 0.35 0.00 0.00 41.96 40.34 1kpp s TYR 42 CO 0.29 -0.00 0.51 0.54 -1.34 0.00 0.00 175.55 175.54 1kpp s VAL 43 N -0.32 5.02 -0.43 3.14 0.11 -1.26 -1.54 120.40 125.11 1kpp s VAL 43 Ca 0.02 1.05 0.04 0.00 -2.93 0.00 0.00 61.98 60.16 1kpp s VAL 43 Cb -0.13 -3.84 0.64 0.00 -1.53 0.00 0.00 36.38 31.52 1kpp s VAL 43 CO 0.02 0.43 1.88 0.49 -3.33 0.00 0.00 175.10 174.59 1kpp n PHE 44 N 2.80 2.94 0.00 1.54 3.72 0.21 -4.94 117.46 123.72 1kpp n PHE 44 Ca -0.09 -1.80 0.00 0.00 -0.05 0.00 0.00 57.45 55.51 1kpp n PHE 44 Cb 0.51 -0.92 0.00 0.00 -0.94 0.00 0.00 39.48 38.13 1kpp n PHE 44 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1kpp n ASN 45 N -1.07 0.00 -0.00 4.37 5.03 -1.26 -1.51 115.26 120.82 1kpp n ASN 45 Ca 0.57 0.00 0.09 0.00 0.87 0.00 0.00 54.58 56.11 1kpp n ASN 45 Cb 1.61 0.00 -0.13 0.00 -1.02 0.00 0.00 39.78 40.24 1kpp n ASN 45 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 1kpp n ASP 46 N 1.58 0.73 -1.90 6.41 8.00 -1.26 -4.40 116.55 125.71 1kpp n ASP 46 Ca 0.00 -0.40 -0.18 0.00 0.71 0.00 0.00 54.79 54.92 1kpp n ASP 46 Cb 0.00 1.50 0.12 0.00 -0.02 0.00 0.00 41.12 42.72 1kpp n ASP 46 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1kpp n GLY 47 N 1.42 3.90 6.67 0.44 0.00 -0.57 -5.03 105.19 112.02 1kpp n GLY 47 Ca -0.00 -0.86 0.01 0.00 0.00 0.00 0.00 46.02 45.16 1kpp n GLY 47 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1kpp n SER 48 N -0.63 -5.31 -4.19 1.61 2.88 -1.26 -4.50 113.62 102.22 1kpp n SER 48 Ca 0.43 0.08 -0.31 0.00 -1.33 0.00 0.00 58.87 57.74 1kpp n SER 48 Cb 1.27 -0.22 -0.17 0.00 -0.75 0.00 0.00 64.21 64.33 1kpp n SER 48 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1kpp s SER 49 N -4.14 2.85 0.26 -3.46 1.04 -1.26 0.63 113.70 109.62 1kpp s SER 49 Ca 0.00 -0.51 0.07 0.00 0.48 0.00 0.00 55.95 55.99 1kpp s SER 49 Cb 0.00 -1.28 -0.04 0.00 0.10 0.00 0.00 66.02 64.81 1kpp s SER 49 CO 0.00 0.14 0.20 -0.13 0.98 0.00 0.00 173.24 174.43 1kpp s ARG 50 N 0.37 2.90 -0.61 4.02 0.52 -0.59 -4.88 118.95 120.67 1kpp s ARG 50 Ca -0.18 -1.08 -0.19 0.00 -0.52 0.00 0.00 55.73 53.77 1kpp s ARG 50 Cb -0.17 -2.55 0.11 0.00 0.52 0.00 0.00 34.95 32.86 1kpp s ARG 50 CO 0.08 0.38 0.72 -1.21 0.02 0.00 0.00 175.30 175.28 1kpp s GLU 51 N -3.85 3.08 -0.11 3.54 2.02 -1.26 -1.01 118.70 121.12 1kpp s GLU 51 Ca 0.33 -1.40 -0.04 0.00 0.02 0.00 0.00 54.97 53.88 1kpp s GLU 51 Cb -0.08 -4.30 -0.04 0.00 0.10 0.00 0.00 34.13 29.82 1kpp s GLU 51 CO 0.25 -1.54 0.05 -0.51 0.02 0.00 0.00 175.26 173.53 1kpp s LEU 52 N 2.55 3.86 0.18 1.80 2.01 -1.10 -4.92 118.68 123.04 1kpp s LEU 52 Ca 0.12 0.24 -0.14 0.00 0.01 0.00 0.00 54.13 54.37 1kpp s LEU 52 Cb -0.23 -1.91 -0.07 0.00 0.01 0.00 0.00 46.19 43.99 1kpp s LEU 52 CO 0.05 0.37 0.57 -0.32 1.01 0.00 0.00 176.35 178.03 1kpp s MET 53 N -0.82 3.96 -0.02 1.70 -2.45 -1.26 -0.80 119.30 119.62 1kpp s MET 53 Ca 0.13 0.48 0.00 0.00 -1.25 0.00 0.00 55.69 55.05 1kpp s MET 53 Cb -0.12 -2.85 0.03 0.00 1.25 0.00 0.00 34.83 33.14 1kpp s MET 53 CO 0.03 0.43 0.02 0.54 1.05 0.00 0.00 175.02 177.08 1kpp s ASN 54 N -1.86 0.17 -0.82 1.11 4.22 0.20 -1.10 114.94 116.86 1kpp s ASN 54 Ca 0.41 0.02 -0.17 0.00 -2.14 0.00 0.00 52.86 50.97 1kpp s ASN 54 Cb -0.14 -0.11 0.16 0.00 1.28 0.00 0.00 41.25 42.44 1kpp s ASN 54 CO 0.20 -0.11 0.90 -0.76 -2.04 0.00 0.00 177.10 175.29 1kpp s LEU 55 N 0.95 5.74 -0.09 3.54 1.43 -0.92 0.84 118.68 130.17 1kpp s LEU 55 Ca -0.08 -2.13 -0.13 0.00 -1.03 0.00 0.00 54.13 50.75 1kpp s LEU 55 Cb -0.12 -2.31 -0.05 0.00 0.03 0.00 0.00 46.19 43.74 1kpp s LEU 55 CO -0.02 -0.90 0.33 -0.89 0.23 0.00 0.00 176.35 175.09 1kpp s THR 56 N 1.79 5.22 0.00 5.49 2.01 -0.20 -2.68 115.64 127.27 1kpp s THR 56 Ca 0.23 0.64 0.00 0.00 0.31 0.00 0.00 61.69 62.87 1kpp s THR 56 Cb -0.11 -3.64 0.00 0.00 0.01 0.00 0.00 72.50 68.76 1kpp s THR 56 CO -0.06 0.49 0.00 0.61 -0.69 0.00 0.00 174.62 174.97 1kpp n GLY 57 N 2.58 1.11 3.51 4.40 0.00 -1.19 0.10 105.19 115.71 1kpp n GLY 57 Ca -0.13 -0.21 -0.08 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.69 -0.13 0.10 2.61 -4.23 -1.26 -3.06 115.64 108.99 1kpp s THR 58 Ca 0.00 0.04 0.04 0.00 -1.18 0.00 0.00 61.69 60.59 1kpp s THR 58 Cb 0.00 -0.86 -0.04 0.00 1.34 0.00 0.00 72.50 72.94 1kpp s THR 58 CO 0.00 0.02 0.05 0.27 -0.54 0.00 0.00 174.62 174.42 1kpp s ILE 59 N 1.73 4.28 0.18 2.99 -4.36 -1.21 -4.63 121.20 120.19 1kpp s ILE 59 Ca -0.09 -0.95 -0.31 0.00 -0.26 0.00 0.00 60.65 59.05 1kpp s ILE 59 Cb -0.07 -3.08 -0.09 0.00 1.25 0.00 0.00 42.46 40.47 1kpp s ILE 59 CO -0.17 0.07 1.40 -2.16 0.24 0.00 0.00 174.94 174.32 1kpp s PRO 60 N -2.52 4.31 -0.22 0.37 0.04 -1.26 -2.70 135.00 133.03 1kpp s PRO 60 Ca 0.28 2.17 -0.04 0.00 0.04 0.00 0.00 61.00 63.45 1kpp s PRO 60 Cb -0.11 -3.18 0.07 0.00 0.04 0.00 0.00 34.50 31.32 1kpp s PRO 60 CO 0.21 -0.40 0.10 0.08 0.04 0.00 0.00 177.00 177.02 1kpp s VAL 61 N 0.50 0.04 -0.07 -0.36 1.01 0.06 -4.93 120.40 116.64 1kpp s VAL 61 Ca 0.61 -0.47 -0.30 0.00 0.00 0.00 0.00 61.98 61.83 1kpp s VAL 61 Cb -0.39 -0.81 -0.05 0.00 0.00 0.00 0.00 36.38 35.13 1kpp s VAL 61 CO 0.36 -0.44 1.54 -2.16 0.00 0.00 0.00 175.10 174.41 1kpp s PRO 62 N 2.07 4.20 -0.17 2.72 0.04 -1.26 -1.42 135.00 141.17 1kpp s PRO 62 Ca 0.04 2.05 -0.01 0.00 0.04 0.00 0.00 61.00 63.12 1kpp s PRO 62 Cb -0.16 -3.88 0.05 0.00 0.04 0.00 0.00 34.50 30.54 1kpp s PRO 62 CO -0.19 -0.79 -0.02 -0.47 0.04 0.00 0.00 177.00 175.58 1kpp s TYR 63 N 3.72 1.44 -0.20 0.56 5.04 -0.84 -4.66 117.35 122.40 1kpp s TYR 63 Ca 0.68 -0.99 0.00 0.00 -2.44 0.00 0.00 57.07 54.32 1kpp s TYR 63 Cb -0.31 -1.19 0.00 0.00 0.35 0.00 0.00 41.96 40.81 1kpp s TYR 63 CO 0.26 -0.60 0.00 0.54 -1.34 0.00 0.00 175.55 174.41 1kpp n ARG 64 N 4.94 -1.31 0.00 4.97 5.12 -1.26 -2.10 116.66 127.01 1kpp n ARG 64 Ca -0.10 0.43 0.00 0.00 -1.93 0.00 0.00 57.85 56.25 1kpp n ARG 64 Cb 0.47 -4.46 0.00 0.00 -1.16 0.00 0.00 32.46 27.31 1kpp n ARG 64 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1kpp n GLY 65 N -0.41 0.66 2.98 -0.13 0.00 -1.26 -5.09 105.19 101.94 1kpp n GLY 65 Ca -0.02 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.84 1kpp n GLY 65 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1kpp n ASN 66 N 0.00 1.80 -4.20 1.61 6.94 -0.89 -5.09 115.26 115.42 1kpp n ASN 66 Ca 0.00 -2.25 -0.35 0.00 -0.02 0.00 0.00 54.58 51.96 1kpp n ASN 66 Cb 0.00 -0.26 -0.14 0.00 -2.36 0.00 0.00 39.78 37.03 1kpp n ASN 66 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1kpp s THR 67 N -1.85 3.15 -0.04 5.53 2.01 -1.26 -1.99 115.64 121.20 1kpp s THR 67 Ca 0.41 -1.24 0.02 0.00 0.31 0.00 0.00 61.69 61.19 1kpp s THR 67 Cb -0.03 -2.76 -0.03 0.00 0.01 0.00 0.00 72.50 69.68 1kpp s THR 67 CO 0.26 -0.06 -0.06 -0.47 -0.69 0.00 0.00 174.62 173.60 1kpp s TYR 68 N 1.30 2.92 -0.42 4.92 6.14 -0.51 -4.94 117.35 126.77 1kpp s TYR 68 Ca -0.03 0.00 -0.16 0.00 0.64 0.00 0.00 57.07 57.52 1kpp s TYR 68 Cb -0.19 -1.67 0.03 0.00 0.42 0.00 0.00 41.96 40.55 1kpp s TYR 68 CO -0.01 0.36 0.35 -0.80 0.64 0.00 0.00 175.55 176.08 1kpp s ASN 69 N -1.10 6.13 -0.56 4.32 0.01 -1.26 -0.76 114.94 121.72 1kpp s ASN 69 Ca 0.15 -0.90 -0.17 0.00 -0.71 0.00 0.00 52.86 51.22 1kpp s ASN 69 Cb -0.11 -2.18 0.12 0.00 0.41 0.00 0.00 41.25 39.49 1kpp s ASN 69 CO 0.04 -0.51 0.58 -0.63 -1.51 0.00 0.00 177.10 175.08 1kpp s ILE 70 N 1.79 5.05 0.47 0.60 -1.09 -1.10 -4.92 121.20 122.00 1kpp s ILE 70 Ca 0.07 -1.26 -0.23 0.00 -2.23 0.00 0.00 60.65 57.00 1kpp s ILE 70 Cb -0.19 -4.39 -0.07 0.00 -1.58 0.00 0.00 42.46 36.22 1kpp s ILE 70 CO 0.10 -0.96 1.17 -2.16 -1.23 0.00 0.00 174.94 171.86 1kpp s PRO 71 N 2.06 3.70 0.08 2.79 0.04 -1.26 -3.34 135.00 139.07 1kpp s PRO 71 Ca 0.07 1.78 -0.22 0.00 0.04 0.00 0.00 61.00 62.66 1kpp s PRO 71 Cb -0.27 -2.37 0.06 0.00 0.04 0.00 0.00 34.50 31.95 1kpp s PRO 71 CO 0.05 -0.60 0.54 0.96 0.04 0.00 0.00 177.00 177.98 1kpp s ILE 72 N -1.55 0.03 0.05 0.56 -4.36 -1.17 -3.66 121.20 111.09 1kpp s ILE 72 Ca 0.65 -0.21 0.07 0.00 -0.26 0.00 0.00 60.65 60.90 1kpp s ILE 72 Cb -0.29 -1.01 -0.03 0.00 1.25 0.00 0.00 42.46 42.38 1kpp s ILE 72 CO 0.34 -0.11 -0.18 0.00 0.24 0.00 0.00 174.94 175.23 1kpp s LEU 74 N -1.52 3.92 0.45 0.00 0.20 -1.09 -2.47 118.68 118.17 1kpp s LEU 74 Ca 0.15 -2.81 -0.24 0.00 0.69 0.00 0.00 54.13 51.92 1kpp s LEU 74 Cb -0.10 -1.48 -0.07 0.00 -0.43 0.00 0.00 46.19 44.10 1kpp s LEU 74 CO 0.06 -0.26 1.26 0.26 -0.29 0.00 0.00 176.35 177.38 1kpp s TRP 75 N 0.02 2.74 0.46 5.38 0.23 -1.18 -2.17 118.94 124.42 1kpp s TRP 75 Ca 0.16 1.45 0.06 0.00 -2.03 0.00 0.00 56.10 55.74 1kpp s TRP 75 Cb -0.25 -3.58 -0.03 0.00 0.03 0.00 0.00 33.47 29.64 1kpp s TRP 75 CO -0.01 -2.02 0.16 -0.51 0.96 0.00 0.00 176.95 175.53 1kpp s LEU 76 N -2.85 2.83 0.00 2.99 2.01 -0.26 -2.96 118.68 120.44 1kpp s LEU 76 Ca 0.62 -1.27 0.06 0.00 0.01 0.00 0.00 54.13 53.55 1kpp s LEU 76 Cb -0.35 -1.17 -0.02 0.00 0.01 0.00 0.00 46.19 44.66 1kpp s LEU 76 CO 0.43 -0.71 0.21 0.00 1.01 0.00 0.00 176.35 177.30 1kpp n LEU 77 N -1.31 0.00 -0.07 1.79 -0.00 -1.26 -4.66 117.00 111.49 1kpp n LEU 77 Ca -0.06 -2.47 -0.09 0.00 -0.00 0.00 0.00 56.01 53.39 1kpp n LEU 77 Cb 0.65 1.28 -0.08 0.00 -0.00 0.00 0.00 43.42 45.27 1kpp n LEU 77 CO 0.43 -0.41 -0.96 -0.90 -0.00 0.00 0.00 177.39 175.55 1kpp n ASP 78 N -1.95 2.44 0.00 1.45 5.68 -1.26 -4.87 116.55 118.04 1kpp n ASP 78 Ca 0.05 -0.05 0.00 0.00 -0.50 0.00 0.00 54.79 54.30 1kpp n ASP 78 Cb 0.47 0.20 0.00 0.00 -1.14 0.00 0.00 41.12 40.65 1kpp n ASP 78 CO 0.00 0.00 0.00 0.41 -1.33 0.00 0.00 177.20 176.28 1kpp n THR 79 N -2.74 0.00 -3.62 2.12 -1.04 -1.26 -2.11 114.28 105.62 1kpp n THR 79 Ca -0.24 0.00 -0.20 0.00 -2.04 0.00 0.00 64.05 61.57 1kpp n THR 79 Cb 0.84 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 69.33 1kpp n THR 79 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 1kpp s TYR 80 N 0.00 3.03 0.11 -1.42 2.02 -1.26 -3.18 117.35 116.64 1kpp s TYR 80 Ca 0.00 -0.25 -0.12 0.00 -0.37 0.00 0.00 57.07 56.33 1kpp s TYR 80 Cb 0.00 -1.90 -0.15 0.00 -0.40 0.00 0.00 41.96 39.51 1kpp s TYR 80 CO 0.00 0.08 1.31 -1.00 -1.57 0.00 0.00 175.55 174.37 1kpp h PRO 81 N 1.05 0.79 0.00 -1.71 0.13 -2.01 -3.42 132.00 126.83 1kpp h PRO 81 Ca -0.45 -0.64 0.00 0.00 -0.87 0.00 0.00 66.00 64.03 1kpp h PRO 81 Cb 1.25 0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.52 1kpp h PRO 81 CO 0.55 1.25 -0.52 0.66 -0.23 0.00 0.00 178.00 179.71 1kpp n TYR 82 N -3.93 0.00 0.00 1.56 4.01 -1.26 -5.09 117.16 112.46 1kpp n TYR 82 Ca -0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.67 1kpp n TYR 82 Cb 0.75 -0.26 0.00 0.00 -0.31 0.00 0.00 39.34 39.52 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 -3.62 0.00 -4.76 7.72 2.85 -1.19 -4.96 115.26 111.30 1kpp n ASN 83 Ca -0.07 0.00 -0.34 0.00 -0.11 0.00 0.00 54.58 54.06 1kpp n ASN 83 Cb 0.27 0.00 0.04 0.00 1.24 0.00 0.00 39.78 41.34 1kpp n ASN 83 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 1kpp s PRO 84 N 0.00 2.82 0.84 1.20 0.04 -1.26 -4.76 135.00 133.88 1kpp s PRO 84 Ca 0.00 1.57 -0.11 0.00 0.04 0.00 0.00 61.00 62.50 1kpp s PRO 84 Cb 0.00 -1.94 0.10 0.00 0.04 0.00 0.00 34.50 32.70 1kpp s PRO 84 CO 0.00 -1.27 1.09 -1.25 0.04 0.00 0.00 177.00 175.61 1kpp s PRO 85 N -3.77 1.69 -0.43 0.56 0.04 -1.26 -4.88 135.00 126.96 1kpp s PRO 85 Ca 0.71 0.97 -0.12 0.00 0.04 0.00 0.00 61.00 62.61 1kpp s PRO 85 Cb -0.24 -1.85 0.07 0.00 0.04 0.00 0.00 34.50 32.52 1kpp s PRO 85 CO 0.38 -1.98 0.29 0.42 0.04 0.00 0.00 177.00 176.15 1kpp s ILE 86 N -2.92 4.62 0.61 0.56 1.09 -1.16 -4.99 121.20 119.01 1kpp s ILE 86 Ca 0.62 -1.19 -0.19 0.00 -1.10 0.00 0.00 60.65 58.79 1kpp s ILE 86 Cb -0.18 -3.76 -0.03 0.00 -1.06 0.00 0.00 42.46 37.44 1kpp s ILE 86 CO 0.57 -0.48 1.27 0.00 -0.10 0.00 0.00 174.94 176.19 1kpp s PHE 88 N -1.46 -0.38 -0.20 0.00 0.08 -1.03 -4.23 117.98 110.75 1kpp s PHE 88 Ca 0.79 0.70 -0.08 0.00 0.12 0.00 0.00 56.93 58.45 1kpp s PHE 88 Cb -0.35 0.21 -0.04 0.00 -0.57 0.00 0.00 43.02 42.27 1kpp s PHE 88 CO 0.38 -0.44 0.08 0.14 -0.10 0.00 0.00 175.22 175.29 1kpp s VAL 89 N -1.03 4.83 -0.79 -0.44 -7.23 0.10 -1.52 120.40 114.32 1kpp s VAL 89 Ca -0.11 -0.01 -0.07 0.00 -1.81 0.00 0.00 61.98 59.98 1kpp s VAL 89 Cb -0.03 -3.21 0.20 0.00 0.56 0.00 0.00 36.38 33.90 1kpp s VAL 89 CO 0.05 0.42 0.67 -0.75 -0.31 0.00 0.00 175.10 175.18 1kpp s LYS 90 N 0.71 3.19 0.00 4.82 2.47 -1.24 -4.86 119.74 124.82 1kpp s LYS 90 Ca 0.04 -2.72 0.00 0.00 -1.56 0.00 0.00 55.97 51.73 1kpp s LYS 90 Cb -0.13 -4.07 0.00 0.00 -1.46 0.00 0.00 37.83 32.17 1kpp s LYS 90 CO 0.02 -1.23 0.00 -0.35 0.16 0.00 0.00 175.35 173.94 1kpp n PRO 91 N 3.34 -0.30 -4.46 4.03 -0.04 -1.26 -4.47 135.00 131.83 1kpp n PRO 91 Ca 0.14 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.36 1kpp n PRO 91 Cb 0.41 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.78 1kpp n PRO 91 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1kpp s THR 92 N -0.78 0.53 0.51 0.52 -4.23 -1.24 -4.98 115.64 105.97 1kpp s THR 92 Ca 0.00 -2.00 0.19 0.00 -1.18 0.00 0.00 61.69 58.70 1kpp s THR 92 Cb 0.00 -2.41 0.27 0.00 1.34 0.00 0.00 72.50 71.70 1kpp s THR 92 CO 0.00 0.00 2.13 -1.28 -0.54 0.00 0.00 174.62 174.93 1kpp h SER 93 N 1.91 0.00 0.35 3.99 0.87 -2.00 -2.44 113.55 116.23 1kpp h SER 93 Ca -0.34 0.00 -0.32 0.00 -1.23 0.00 0.00 61.79 59.90 1kpp h SER 93 Cb 1.26 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 63.17 1kpp h SER 93 CO 0.55 0.05 -1.90 -1.20 -0.53 0.00 0.00 176.83 173.80 1kpp n SER 94 N -4.29 0.80 -4.78 6.23 7.64 -1.26 -4.90 113.62 113.07 1kpp n SER 94 Ca -0.03 0.30 -0.39 0.00 1.01 0.00 0.00 58.87 59.76 1kpp n SER 94 Cb 0.13 0.10 -0.06 0.00 -1.01 0.00 0.00 64.21 63.38 1kpp n SER 94 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1kpp s MET 95 N -2.57 4.34 0.00 1.43 1.00 -0.92 -5.04 119.30 117.55 1kpp s MET 95 Ca -0.08 0.84 0.00 0.00 0.00 0.00 0.00 55.69 56.45 1kpp s MET 95 Cb 0.07 -3.30 0.00 0.00 0.00 0.00 0.00 34.83 31.60 1kpp s MET 95 CO 0.82 0.46 0.00 0.25 0.00 0.00 0.00 175.02 176.55 1kpp n THR 96 N 2.30 0.00 -3.16 2.05 -2.24 -1.26 -3.61 114.28 108.35 1kpp n THR 96 Ca -0.07 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.51 1kpp n THR 96 Cb 0.50 -1.44 -0.04 0.00 -2.10 0.00 0.00 70.33 67.26 1kpp n THR 96 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1kpp n ILE 97 N -1.00 0.26 -1.50 2.28 3.06 -1.26 -4.09 119.36 117.10 1kpp n ILE 97 Ca 0.00 -4.67 -0.54 0.00 -2.50 0.00 0.00 62.75 55.04 1kpp n ILE 97 Cb 0.00 -0.62 -0.06 0.00 0.54 0.00 0.00 39.64 39.50 1kpp n ILE 97 CO 0.00 0.00 0.00 1.17 -2.50 0.00 0.00 176.55 175.22 1kpp n LYS 98 N 0.34 0.37 -3.68 9.51 4.81 -1.21 -4.87 118.16 123.42 1kpp n LYS 98 Ca 0.25 0.13 -0.36 0.00 -0.87 0.00 0.00 58.31 57.47 1kpp n LYS 98 Cb 0.61 -1.54 -0.07 0.00 0.02 0.00 0.00 35.03 34.04 1kpp n LYS 98 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 1kpp s THR 99 N -0.21 5.37 0.00 3.15 -4.23 -1.25 -4.66 115.64 113.81 1kpp s THR 99 Ca 0.81 0.35 0.00 0.00 -1.18 0.00 0.00 61.69 61.67 1kpp s THR 99 Cb -1.07 -3.52 0.00 0.00 1.34 0.00 0.00 72.50 69.24 1kpp s THR 99 CO 0.55 0.47 0.00 0.61 -0.54 0.00 0.00 174.62 175.71 1kpp n GLY 100 N 3.06 3.88 0.11 3.99 0.00 -1.26 -4.87 105.19 110.10 1kpp n GLY 100 Ca -0.15 -0.47 -0.13 0.00 0.00 0.00 0.00 46.02 45.27 1kpp n GLY 100 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1kpp n LYS 101 N 0.00 0.68 -0.02 1.61 3.00 -1.26 -4.51 118.16 117.67 1kpp n LYS 101 Ca 0.00 0.04 -0.02 0.00 -0.00 0.00 0.00 58.31 58.33 1kpp n LYS 101 Cb 0.00 -1.52 -0.02 0.00 0.00 0.00 0.00 35.03 33.49 1kpp n LYS 101 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.40 175.01 1kpp n HIS 102 N -2.91 0.00 0.20 5.64 1.44 -1.26 -4.63 115.22 113.70 1kpp n HIS 102 Ca -0.37 0.00 0.18 0.00 -2.01 0.00 0.00 57.72 55.52 1kpp n HIS 102 Cb 1.10 -0.15 0.83 0.00 0.12 0.00 0.00 29.99 31.89 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 0.32 -0.29 0.61 2.07 -1.86 1.02 116.25 118.12 1kpp h VAL 103 Ca -0.08 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.44 1kpp h VAL 103 Cb 1.14 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 31.66 1kpp h VAL 103 CO -0.01 0.00 0.00 -0.67 0.02 0.00 0.00 177.57 176.91 1kpp n ASP 104 N -3.55 -0.88 -0.05 0.57 2.03 -1.26 -1.83 116.55 111.58 1kpp n ASP 104 Ca 0.02 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.32 1kpp n ASP 104 Cb 0.41 0.00 -0.13 0.00 -0.72 0.00 0.00 41.12 40.68 1kpp n ASP 104 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1kpp n ALA 105 N 2.74 1.98 0.98 -1.67 0.00 -1.26 -3.83 120.51 119.45 1kpp n ALA 105 Ca 0.00 -0.83 0.11 0.00 0.00 0.00 0.00 53.44 52.73 1kpp n ALA 105 Cb 0.00 -0.27 0.05 0.00 0.00 0.00 0.00 19.45 19.23 1kpp n ALA 105 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1kpp n ASN 106 N -2.42 2.55 -1.48 0.00 2.85 -1.26 -4.98 115.26 110.53 1kpp n ASN 106 Ca -0.18 -1.78 -0.08 0.00 -0.11 0.00 0.00 54.58 52.44 1kpp n ASN 106 Cb 0.81 0.21 0.02 0.00 1.24 0.00 0.00 39.78 42.07 1kpp n ASN 106 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1kpp n GLY 107 N 1.36 0.42 0.46 8.20 0.00 -0.76 -4.76 105.19 110.11 1kpp n GLY 107 Ca 0.12 -0.38 0.12 0.00 0.00 0.00 0.00 46.02 45.87 1kpp n GLY 107 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1kpp n LYS 108 N -1.99 1.62 -3.50 1.61 4.81 -1.24 0.03 118.16 119.49 1kpp n LYS 108 Ca -0.00 -0.92 -0.23 0.00 -0.87 0.00 0.00 58.31 56.29 1kpp n LYS 108 Cb 0.52 -1.42 0.01 0.00 0.02 0.00 0.00 35.03 34.17 1kpp n LYS 108 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 1kpp n ILE 109 N 0.12 -5.47 -1.50 3.15 -0.00 -1.02 -4.39 119.36 110.26 1kpp n ILE 109 Ca 0.17 0.07 -0.31 0.00 -0.00 0.00 0.00 62.75 62.68 1kpp n ILE 109 Cb 0.31 -4.23 -0.06 0.00 -0.00 0.00 0.00 39.64 35.65 1kpp n ILE 109 CO 0.00 0.00 0.00 -1.22 -0.00 0.00 0.00 176.55 175.33 1kpp n TYR 110 N -1.58 1.78 -1.57 1.39 4.01 0.35 -4.81 117.16 116.73 1kpp n TYR 110 Ca -0.16 -2.40 -0.45 0.00 -0.16 0.00 0.00 57.90 54.73 1kpp n TYR 110 Cb 0.64 -1.84 -0.04 0.00 -0.31 0.00 0.00 39.34 37.79 1kpp n TYR 110 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1kpp n LEU 111 N 2.13 3.02 -0.28 7.72 4.77 -1.26 -4.41 117.00 128.68 1kpp n LEU 111 Ca 0.59 0.24 0.19 0.00 -0.03 0.00 0.00 56.01 57.01 1kpp n LEU 111 Cb 0.45 -1.49 0.48 0.00 -2.33 0.00 0.00 43.42 40.53 1kpp n LEU 111 CO 0.53 -0.70 1.22 -0.65 -1.33 0.00 0.00 177.39 176.45 1kpp h PRO 112 N 14.52 0.46 0.34 3.23 0.11 -1.92 0.16 132.00 148.89 1kpp h PRO 112 Ca -0.38 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.69 1kpp h PRO 112 Cb 1.26 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1kpp h PRO 112 CO 0.97 0.30 -0.16 1.88 -0.21 0.00 0.00 178.00 180.78 1kpp h TYR 113 N 0.47 -0.42 -0.25 0.65 -1.99 -1.95 -0.14 116.97 113.34 1kpp h TYR 113 Ca 0.52 -0.01 -0.08 0.00 2.00 0.00 0.00 58.73 61.16 1kpp h TYR 113 Cb 1.21 0.14 -0.01 0.00 2.00 0.00 0.00 36.73 40.06 1kpp h TYR 113 CO -0.00 -0.26 -0.18 1.25 -0.00 0.00 0.00 178.16 178.97 1kpp h LEU 114 N -0.46 0.43 -0.77 3.88 7.12 -1.70 -1.99 115.31 121.83 1kpp h LEU 114 Ca -0.05 -0.12 -0.06 0.00 0.13 0.00 0.00 57.88 57.78 1kpp h LEU 114 Cb 0.35 -0.12 -0.03 0.00 -0.53 0.00 0.00 40.66 40.33 1kpp h LEU 114 CO 0.08 0.63 0.23 -0.74 -0.13 0.00 0.00 178.44 178.51 1kpp h HIS 115 N 0.40 1.20 -0.68 1.25 2.76 -0.70 -2.35 115.15 117.03 1kpp h HIS 115 Ca 0.07 -0.12 -0.18 0.00 -2.20 0.00 0.00 60.37 57.94 1kpp h HIS 115 Cb 0.54 -0.35 -0.11 0.00 1.55 0.00 0.00 27.41 29.05 1kpp h HIS 115 CO 0.02 0.94 0.23 -1.91 -1.30 0.00 0.00 177.93 175.91 1kpp n GLU 116 N -4.25 3.68 0.00 5.26 2.13 -0.09 -4.58 120.64 122.79 1kpp n GLU 116 Ca 0.06 -2.87 0.00 0.00 0.66 0.00 0.00 57.16 55.01 1kpp n GLU 116 Cb 0.23 -2.17 0.00 0.00 0.27 0.00 0.00 31.44 29.77 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 -0.03 0.00 -3.15 4.31 -0.00 -0.77 -5.01 117.44 112.78 1kpp n TRP 117 Ca 0.37 0.00 -0.27 0.00 -0.00 0.00 0.00 57.50 57.61 1kpp n TRP 117 Cb 1.31 0.00 0.03 0.00 -0.00 0.00 0.00 31.31 32.65 1kpp n TRP 117 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 177.69 178.05 1kpp n LYS 118 N -1.65 -1.33 -1.30 5.87 -0.00 -1.08 -4.62 118.16 114.04 1kpp n LYS 118 Ca 0.00 1.11 0.17 0.00 -0.00 0.00 0.00 58.31 59.59 1kpp n LYS 118 Cb 0.00 -1.54 -0.06 0.00 -0.00 0.00 0.00 35.03 33.43 1kpp n LYS 118 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1kpp n HIS 119 N 0.18 -3.37 1.40 5.58 8.25 -1.25 -4.91 115.22 121.11 1kpp n HIS 119 Ca -0.06 1.76 0.11 0.00 -0.26 0.00 0.00 57.72 59.27 1kpp n HIS 119 Cb 0.57 -3.06 0.43 0.00 1.12 0.00 0.00 29.99 29.05 1kpp n HIS 119 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1kpp n PRO 120 N -4.12 1.59 -0.00 -0.41 -0.04 -1.26 -4.57 135.00 126.18 1kpp n PRO 120 Ca -0.03 -0.88 0.08 0.00 -0.04 0.00 0.00 63.50 62.63 1kpp n PRO 120 Cb 0.60 -1.39 -0.12 0.00 -0.04 0.00 0.00 33.50 32.56 1kpp n PRO 120 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1kpp n GLN 121 N 0.09 0.94 -2.87 0.54 3.00 -1.26 -4.88 117.38 112.95 1kpp n GLN 121 Ca 0.16 -0.09 -0.43 0.00 -0.01 0.00 0.00 57.00 56.63 1kpp n GLN 121 Cb 0.28 -1.35 -0.04 0.00 0.00 0.00 0.00 30.24 29.13 1kpp n GLN 121 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1kpp s SER 122 N -3.39 6.29 0.51 1.08 0.15 -1.26 -4.89 113.70 112.19 1kpp s SER 122 Ca -0.01 -0.53 0.01 0.00 0.70 0.00 0.00 55.95 56.11 1kpp s SER 122 Cb 0.11 -2.42 0.01 0.00 -1.71 0.00 0.00 66.02 62.02 1kpp s SER 122 CO 0.69 -1.24 0.09 0.47 1.20 0.00 0.00 173.24 174.45 1kpp n ASP 123 N 7.40 3.25 -0.17 5.45 8.00 -1.26 -3.79 116.55 135.43 1kpp n ASP 123 Ca -0.00 -3.13 0.01 0.00 0.71 0.00 0.00 54.79 52.38 1kpp n ASP 123 Cb 0.47 0.27 0.29 0.00 -0.02 0.00 0.00 41.12 42.12 1kpp n ASP 123 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1kpp h LEU 124 N 0.00 0.77 -0.28 0.64 6.46 -1.95 0.91 115.31 121.86 1kpp h LEU 124 Ca -0.40 -0.02 -0.02 0.00 -0.12 0.00 0.00 57.88 57.32 1kpp h LEU 124 Cb 1.26 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 40.99 1kpp h LEU 124 CO 0.66 0.56 0.11 -0.07 -0.62 0.00 0.00 178.44 179.07 1kpp h LEU 125 N 0.91 0.39 0.00 2.25 4.07 -1.95 -2.99 115.31 117.98 1kpp h LEU 125 Ca 0.25 -0.17 -0.15 0.00 0.08 0.00 0.00 57.88 57.89 1kpp h LEU 125 Cb -0.10 -0.10 -0.02 0.00 1.08 0.00 0.00 40.66 41.52 1kpp h LEU 125 CO -0.06 0.45 -0.72 1.23 -1.08 0.00 0.00 178.44 178.26 1kpp h GLY 126 N 0.30 0.00 1.07 0.83 0.00 -1.78 -3.11 103.07 100.37 1kpp h GLY 126 Ca 0.09 0.00 0.13 0.00 0.00 0.00 0.00 47.33 47.56 1kpp h GLY 126 CO -0.01 0.00 0.33 -2.00 0.00 0.00 0.00 176.54 174.87 1kpp h LEU 127 N 0.00 0.00 0.03 3.11 7.12 0.98 -0.78 115.31 125.77 1kpp h LEU 127 Ca -0.02 0.00 -0.32 0.00 0.13 0.00 0.00 57.88 57.67 1kpp h LEU 127 Cb 1.53 0.00 -0.05 0.00 -0.53 0.00 0.00 40.66 41.62 1kpp h LEU 127 CO 0.09 0.00 -1.89 -0.38 -0.13 0.00 0.00 178.44 176.12 1kpp n ILE 128 N -4.40 1.61 -0.09 4.05 -0.00 -1.18 -4.11 119.36 115.24 1kpp n ILE 128 Ca 0.08 -0.77 0.06 0.00 -0.00 0.00 0.00 62.75 62.12 1kpp n ILE 128 Cb 0.54 -1.13 0.40 0.00 -0.00 0.00 0.00 39.64 39.45 1kpp n ILE 128 CO 0.00 0.00 0.00 -0.61 -0.00 0.00 0.00 176.55 175.94 1kpp h GLN 129 N 0.02 0.62 -0.51 0.38 4.15 -1.11 -1.85 115.11 116.81 1kpp h GLN 129 Ca -0.36 -0.04 0.06 0.00 0.77 0.00 0.00 58.65 59.08 1kpp h GLN 129 Cb 2.05 -0.14 -0.05 0.00 0.21 0.00 0.00 27.48 29.54 1kpp h GLN 129 CO 0.07 0.41 0.22 -0.24 -1.93 0.00 0.00 178.83 177.35 1kpp h VAL 130 N 0.64 0.88 -0.57 2.39 3.04 -1.47 -1.55 116.25 119.60 1kpp h VAL 130 Ca 0.24 -0.14 -0.11 0.00 -1.01 0.00 0.00 66.70 65.67 1kpp h VAL 130 Cb 0.14 0.43 -0.02 0.00 -2.01 0.00 0.00 31.29 29.83 1kpp h VAL 130 CO -0.06 0.08 -0.06 0.24 -1.01 0.00 0.00 177.57 176.75 1kpp h MET 131 N 0.42 1.06 -0.20 4.17 2.86 -1.56 -0.82 114.93 120.85 1kpp h MET 131 Ca 0.24 -0.37 0.06 0.00 -2.06 0.00 0.00 59.70 57.57 1kpp h MET 131 Cb 0.21 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 1kpp h MET 131 CO -0.21 1.07 0.33 0.82 1.06 0.00 0.00 176.91 179.98 1kpp h ILE 132 N 0.94 0.25 0.00 -1.22 2.04 -0.57 0.83 117.51 119.78 1kpp h ILE 132 Ca 0.16 0.00 -0.12 0.00 1.00 0.00 0.00 64.86 65.90 1kpp h ILE 132 Cb 0.63 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 37.40 1kpp h ILE 132 CO 0.04 0.00 -1.15 0.52 0.00 0.00 0.00 178.15 177.56 1kpp n VAL 133 N -3.43 1.48 -0.29 1.67 0.31 -0.89 -2.29 118.33 114.90 1kpp n VAL 133 Ca 0.02 0.05 0.06 0.00 -0.01 0.00 0.00 64.34 64.46 1kpp n VAL 133 Cb 0.45 -2.23 0.27 0.00 -0.91 0.00 0.00 33.84 31.42 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 1.01 0.00 2.52 2.07 -0.86 -1.31 116.25 118.68 1kpp h VAL 134 Ca -0.18 -0.32 -0.22 0.00 0.82 0.00 0.00 66.70 66.79 1kpp h VAL 134 Cb 1.00 -0.01 -0.04 0.00 -1.52 0.00 0.00 31.29 30.72 1kpp h VAL 134 CO -0.11 0.17 -1.29 -0.26 0.02 0.00 0.00 177.57 176.10 1kpp h PHE 135 N 0.94 0.00 0.00 1.57 -1.00 0.47 -3.26 116.94 115.66 1kpp h PHE 135 Ca 0.40 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 61.17 1kpp h PHE 135 Cb 0.31 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.87 1kpp h PHE 135 CO -0.00 0.86 -0.06 0.78 -1.61 0.00 0.00 178.31 178.28 1kpp h GLY 136 N 3.39 0.00 0.87 -1.45 0.00 -0.83 -2.62 103.07 102.42 1kpp h GLY 136 Ca -0.14 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 46.83 1kpp h GLY 136 CO 0.09 0.00 -1.80 -1.80 0.00 0.00 0.00 176.54 173.03 1kpp h ASP 137 N 0.00 0.54 -2.05 0.19 3.58 -1.46 -3.40 116.42 113.82 1kpp h ASP 137 Ca -0.00 -0.89 0.16 0.00 0.42 0.00 0.00 57.03 56.72 1kpp h ASP 137 Cb 0.19 -0.17 -0.29 0.00 1.72 0.00 0.00 39.33 40.78 1kpp h ASP 137 CO 0.01 1.76 0.49 -1.83 -2.88 0.00 0.00 179.24 176.79 1kpp s GLU 138 N -2.58 0.24 0.27 0.28 4.04 -0.99 -4.95 118.70 115.01 1kpp s GLU 138 Ca -0.17 0.45 -0.31 0.00 0.04 0.00 0.00 54.97 54.98 1kpp s GLU 138 Cb 0.06 0.10 -0.12 0.00 0.02 0.00 0.00 34.13 34.18 1kpp s GLU 138 CO 0.83 -0.06 1.57 -0.35 -1.84 0.00 0.00 175.26 175.42 1kpp n PRO 139 N 3.71 2.55 0.00 -4.83 -0.04 -1.24 -4.40 135.00 130.74 1kpp n PRO 139 Ca -0.16 0.91 0.16 0.00 -0.04 0.00 0.00 63.50 64.36 1kpp n PRO 139 Cb 0.56 -2.67 0.89 0.00 -0.04 0.00 0.00 33.50 32.25 1kpp n PRO 139 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1kpp n PRO 140 N 2.40 0.85 -3.72 0.54 -0.04 -1.26 -4.69 135.00 129.07 1kpp n PRO 140 Ca 0.10 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.19 1kpp n PRO 140 Cb 0.35 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.19 1kpp n PRO 140 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1kpp s VAL 141 N -2.14 4.38 -0.15 0.52 -7.23 -1.26 -3.51 120.40 111.01 1kpp s VAL 141 Ca 0.43 -0.28 -0.34 0.00 -1.81 0.00 0.00 61.98 59.97 1kpp s VAL 141 Cb 0.21 -3.12 0.14 0.00 0.56 0.00 0.00 36.38 34.17 1kpp s VAL 141 CO 0.39 0.24 1.33 0.12 -0.31 0.00 0.00 175.10 176.86 1kpp s PHE 142 N 1.61 -0.05 -1.24 2.82 5.36 -1.26 -4.66 117.98 120.57 1kpp s PHE 142 Ca 0.05 0.01 -0.05 0.00 -0.96 0.00 0.00 56.93 55.98 1kpp s PHE 142 Cb -0.16 0.52 0.18 0.00 -0.34 0.00 0.00 43.02 43.22 1kpp s PHE 142 CO 0.04 -0.13 2.10 0.45 -1.46 0.00 0.00 175.22 176.23 1kpp n SER 143 N -0.25 7.21 -2.78 6.13 2.88 -1.26 -3.33 113.62 122.22 1kpp n SER 143 Ca -0.03 -3.27 0.01 0.00 -1.33 0.00 0.00 58.87 54.25 1kpp n SER 143 Cb 0.60 -1.34 0.01 0.00 -0.75 0.00 0.00 64.21 62.73 1kpp n SER 143 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1kpp s ARG 144 N -1.62 0.25 0.00 -1.46 0.52 -1.26 -5.14 118.95 110.23 1kpp s ARG 144 Ca 0.46 -0.12 0.20 0.00 -0.52 0.00 0.00 55.73 55.75 1kpp s ARG 144 Cb 0.16 0.02 1.18 0.00 0.52 0.00 0.00 34.95 36.82 1kpp s ARG 144 CO -0.06 -0.35 1.57 -0.35 0.02 0.00 0.00 175.30 176.13