#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 4.47 -3.54 0.00 0.31 -1.26 -4.51 118.33 113.81 1kpp n VAL 3 Ca 0.00 -4.01 -0.00 0.00 -0.01 0.00 0.00 64.34 60.32 1kpp n VAL 3 Cb 0.00 -2.34 -0.00 0.00 -0.91 0.00 0.00 33.84 30.59 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 3.54 1.08 -0.12 4.52 7.64 -1.26 -4.98 113.62 124.04 1kpp n SER 4 Ca 0.51 -1.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.38 1kpp n SER 4 Cb 0.32 -0.00 0.24 0.00 -1.01 0.00 0.00 64.21 63.76 1kpp n SER 4 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 1kpp h GLU 5 N 0.00 0.79 -0.78 1.43 4.81 -2.00 -2.30 114.58 116.53 1kpp h GLU 5 Ca -0.00 -0.13 0.01 0.00 -0.13 0.00 0.00 59.36 59.11 1kpp h GLU 5 Cb 0.00 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 29.21 1kpp h GLU 5 CO 0.00 0.67 0.51 0.77 -0.73 0.00 0.00 179.01 180.23 1kpp h SER 6 N 0.78 0.90 0.39 1.04 0.02 -1.95 -1.82 113.55 112.92 1kpp h SER 6 Ca 0.18 -0.03 -0.13 0.00 -0.84 0.00 0.00 61.79 60.97 1kpp h SER 6 Cb 0.19 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 1kpp h SER 6 CO -0.01 0.66 -0.55 -0.61 -1.14 0.00 0.00 176.83 175.17 1kpp h GLN 7 N 1.06 0.17 -0.42 3.45 5.75 -1.65 -3.16 115.11 120.31 1kpp h GLN 7 Ca 0.28 -0.11 0.03 0.00 -0.15 0.00 0.00 58.65 58.71 1kpp h GLN 7 Cb -0.11 0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.42 1kpp h GLN 7 CO -0.06 0.68 0.22 1.25 -2.65 0.00 0.00 178.83 178.27 1kpp h LEU 8 N 0.13 0.34 -0.00 -2.39 5.85 -0.96 -0.62 115.31 117.66 1kpp h LEU 8 Ca -0.00 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.75 1kpp h LEU 8 Cb 1.02 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.98 1kpp h LEU 8 CO 0.08 0.25 -0.07 0.50 -0.34 0.00 0.00 178.44 178.85 1kpp h LYS 9 N 0.45 -0.12 -0.08 1.25 3.64 -1.49 -1.77 116.57 118.45 1kpp h LYS 9 Ca 0.17 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.55 1kpp h LYS 9 Cb 0.06 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 1kpp h LYS 9 CO -0.11 -0.08 -0.01 -0.22 -2.27 0.00 0.00 179.45 176.76 1kpp h LYS 10 N -0.13 0.11 -0.04 1.90 3.64 -1.51 0.47 116.57 121.02 1kpp h LYS 10 Ca 0.03 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.31 1kpp h LYS 10 Cb 0.16 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 1kpp h LYS 10 CO -0.08 0.14 -0.37 0.52 -2.27 0.00 0.00 179.45 177.39 1kpp h MET 11 N 0.11 0.08 -0.26 1.90 2.86 -0.28 -2.83 114.93 116.51 1kpp h MET 11 Ca 0.03 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1kpp h MET 11 Cb 0.11 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.76 1kpp h MET 11 CO 0.00 0.44 -0.00 1.33 1.06 0.00 0.00 176.91 179.74 1kpp n VAL 12 N -4.08 2.29 0.24 -2.22 0.24 -0.51 -4.58 118.33 109.72 1kpp n VAL 12 Ca -0.02 -1.94 0.11 0.00 -2.04 0.00 0.00 64.34 60.46 1kpp n VAL 12 Cb 0.42 -0.26 0.59 0.00 -1.47 0.00 0.00 33.84 33.12 1kpp n VAL 12 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 1kpp h SER 13 N 1.70 0.00 -0.57 -1.34 4.64 -0.69 -2.96 113.55 114.33 1kpp h SER 13 Ca 0.01 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.37 1kpp h SER 13 Cb 1.45 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.50 1kpp h SER 13 CO 0.23 0.18 0.33 0.11 -0.87 0.00 0.00 176.83 176.81 1kpp h LYS 14 N 0.00 0.63 -7.08 4.77 1.79 -1.81 -3.43 116.57 111.43 1kpp h LYS 14 Ca -0.00 -0.04 -0.40 0.00 -2.18 0.00 0.00 60.65 58.03 1kpp h LYS 14 Cb 0.54 -0.14 0.21 0.00 -1.58 0.00 0.00 32.23 31.26 1kpp h LYS 14 CO 0.02 0.41 -0.07 0.71 -1.08 0.00 0.00 179.45 179.45 1kpp s TYR 15 N -6.13 0.03 -0.10 -1.35 2.02 -1.12 -4.98 117.35 105.72 1kpp s TYR 15 Ca -0.13 0.75 0.12 0.00 -0.37 0.00 0.00 57.07 57.45 1kpp s TYR 15 Cb 0.14 -2.98 -0.24 0.00 -0.40 0.00 0.00 41.96 38.49 1kpp s TYR 15 CO 0.75 -4.63 0.43 1.17 -1.57 0.00 0.00 175.55 171.70 1kpp n LYS 16 N -5.40 0.66 0.01 -0.62 0.00 -1.26 -4.55 118.16 107.00 1kpp n LYS 16 Ca 0.09 0.20 -0.01 0.00 0.00 0.00 0.00 58.31 58.60 1kpp n LYS 16 Cb 0.58 -1.70 -0.00 0.00 0.00 0.00 0.00 35.03 33.91 1kpp n LYS 16 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.40 179.28 1kpp h TYR 17 N 0.01 -0.03 0.00 5.64 -1.99 -1.93 -3.45 116.97 115.22 1kpp h TYR 17 Ca -0.38 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.34 1kpp h TYR 17 Cb 2.08 0.01 0.00 0.00 2.00 0.00 0.00 36.73 40.82 1kpp h TYR 17 CO 0.01 -0.02 0.00 -2.13 -0.00 0.00 0.00 178.16 176.02 1kpp n ARG 18 N -2.10 0.00 -0.15 4.88 0.63 -1.26 -3.85 116.66 114.80 1kpp n ARG 18 Ca -0.00 0.00 -0.08 0.00 -0.92 0.00 0.00 57.85 56.84 1kpp n ARG 18 Cb 0.01 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.93 1kpp n ARG 18 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 1kpp h ASP 19 N 0.00 0.59 -0.18 6.15 5.19 -1.94 -2.24 116.42 123.99 1kpp h ASP 19 Ca 0.00 -0.14 -0.11 0.00 -0.62 0.00 0.00 57.03 56.16 1kpp h ASP 19 Cb 0.00 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 39.34 1kpp h ASP 19 CO 0.00 0.56 -0.27 -0.07 -3.12 0.00 0.00 179.24 176.35 1kpp h LEU 20 N 0.58 0.67 -1.59 1.55 3.38 -1.96 0.84 115.31 118.78 1kpp h LEU 20 Ca 0.15 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 1kpp h LEU 20 Cb 0.13 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1kpp h LEU 20 CO -0.02 0.91 -0.08 0.74 0.09 0.00 0.00 178.44 180.09 1kpp h THR 21 N 0.57 1.13 0.00 0.22 2.02 -1.78 0.54 112.91 115.60 1kpp h THR 21 Ca 0.07 -0.54 -0.21 0.00 0.77 0.00 0.00 66.41 66.51 1kpp h THR 21 Cb 0.75 1.13 -0.04 0.00 -1.74 0.00 0.00 68.15 68.26 1kpp h THR 21 CO 0.06 0.17 -1.54 0.52 0.37 0.00 0.00 175.52 175.10 1kpp n VAL 22 N -4.36 1.31 0.03 3.16 0.31 -0.87 -3.05 118.33 114.87 1kpp n VAL 22 Ca -0.01 -0.73 -0.19 0.00 -0.01 0.00 0.00 64.34 63.40 1kpp n VAL 22 Cb 0.21 -0.82 -0.14 0.00 -0.91 0.00 0.00 33.84 32.18 1kpp n VAL 22 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 1kpp h ARG 23 N 0.00 0.27 -0.33 5.55 1.12 -0.38 -2.97 114.38 117.65 1kpp h ARG 23 Ca -0.21 -0.44 -0.08 0.00 -1.11 0.00 0.00 59.98 58.14 1kpp h ARG 23 Cb 1.73 0.16 -0.01 0.00 -0.01 0.00 0.00 29.97 31.84 1kpp h ARG 23 CO 0.06 1.20 -0.10 1.49 -3.11 0.00 0.00 179.97 179.50 1kpp h GLU 24 N -0.43 0.65 -0.26 0.20 4.81 -0.10 -2.03 114.58 117.41 1kpp h GLU 24 Ca -0.12 -0.26 0.02 0.00 -0.13 0.00 0.00 59.36 58.87 1kpp h GLU 24 Cb 1.53 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.86 1kpp h GLU 24 CO 0.13 0.83 0.11 0.00 -0.73 0.00 0.00 179.01 179.36 1kpp h THR 25 N 0.42 0.97 -0.29 0.32 1.03 -1.67 -2.68 112.91 111.02 1kpp h THR 25 Ca 0.08 -0.09 0.00 0.00 -0.01 0.00 0.00 66.41 66.40 1kpp h THR 25 Cb 0.61 0.70 -0.01 0.00 -1.07 0.00 0.00 68.15 68.37 1kpp h THR 25 CO 0.04 0.05 0.18 1.62 -0.01 0.00 0.00 175.52 177.40 1kpp h VAL 26 N 0.25 1.09 -0.82 0.00 3.04 -1.49 -1.21 116.25 117.11 1kpp h VAL 26 Ca 0.11 -0.18 0.24 0.00 -1.01 0.00 0.00 66.70 65.86 1kpp h VAL 26 Cb 0.05 0.69 -0.03 0.00 -2.01 0.00 0.00 31.29 29.99 1kpp h VAL 26 CO -0.09 0.08 0.59 0.78 -1.01 0.00 0.00 177.57 177.92 1kpp h ASN 27 N 0.38 0.00 0.00 3.17 2.35 -1.06 0.62 115.58 121.04 1kpp h ASN 27 Ca 0.10 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 1kpp h ASN 27 Cb -0.02 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.35 1kpp h ASN 27 CO -0.02 0.00 -0.17 0.58 -1.65 0.00 0.00 177.43 176.17 1kpp h VAL 28 N 0.00 0.00 -0.19 2.81 2.07 -1.06 -3.03 116.25 116.85 1kpp h VAL 28 Ca 0.39 -0.66 0.06 0.00 0.82 0.00 0.00 66.70 67.30 1kpp h VAL 28 Cb 1.57 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 1kpp h VAL 28 CO -0.00 0.00 0.21 0.16 0.02 0.00 0.00 177.57 177.95 1kpp h ILE 29 N -0.66 0.48 0.03 4.57 3.07 -1.06 0.28 117.51 124.21 1kpp h ILE 29 Ca 0.00 0.00 -0.23 0.00 1.55 0.00 0.00 64.86 66.18 1kpp h ILE 29 Cb 0.17 0.83 -0.02 0.00 -0.27 0.00 0.00 36.82 37.53 1kpp h ILE 29 CO 0.00 0.00 -1.07 0.74 -1.05 0.00 0.00 178.15 176.77 1kpp h THR 30 N 0.00 1.65 0.00 0.16 2.02 0.10 -3.27 112.91 113.57 1kpp h THR 30 Ca 0.09 -3.33 -0.00 0.00 0.77 0.00 0.00 66.41 63.94 1kpp h THR 30 Cb 0.51 2.86 -0.00 0.00 -1.74 0.00 0.00 68.15 69.78 1kpp h THR 30 CO -0.00 0.95 -0.66 -0.07 0.37 0.00 0.00 175.52 176.11 1kpp h LEU 31 N 0.02 0.00 -8.22 2.58 3.38 -0.75 -3.46 115.31 108.86 1kpp h LEU 31 Ca -0.04 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.38 1kpp h LEU 31 Cb 1.82 0.00 -0.31 0.00 0.09 0.00 0.00 40.66 42.26 1kpp h LEU 31 CO 0.14 0.01 -0.83 -0.31 0.09 0.00 0.00 178.44 177.55 1kpp s TYR 32 N -3.30 1.58 -0.38 1.13 2.02 0.74 -5.02 117.35 114.12 1kpp s TYR 32 Ca 0.02 -0.41 0.06 0.00 -0.37 0.00 0.00 57.07 56.37 1kpp s TYR 32 Cb 0.08 -1.06 0.66 0.00 -0.40 0.00 0.00 41.96 41.24 1kpp s TYR 32 CO 0.75 -0.12 1.79 1.63 -1.57 0.00 0.00 175.55 178.03 1kpp n LYS 33 N 3.04 2.86 0.00 -0.62 4.01 -1.26 -3.98 118.16 122.20 1kpp n LYS 33 Ca -0.17 -2.81 0.00 0.00 -0.51 0.00 0.00 58.31 54.82 1kpp n LYS 33 Cb 0.53 -2.12 0.00 0.00 -0.51 0.00 0.00 35.03 32.93 1kpp n LYS 33 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 1kpp n ASP 34 N -0.55 0.61 -4.27 4.39 -0.08 -1.26 -5.05 116.55 110.33 1kpp n ASP 34 Ca 0.47 -1.28 -0.32 0.00 -1.51 0.00 0.00 54.79 52.14 1kpp n ASP 34 Cb 1.45 0.00 -0.16 0.00 2.34 0.00 0.00 41.12 44.75 1kpp n ASP 34 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1kpp s LEU 35 N -0.28 2.29 0.04 -2.67 2.01 -1.26 -1.96 118.68 116.85 1kpp s LEU 35 Ca 0.00 -0.48 0.05 0.00 0.01 0.00 0.00 54.13 53.71 1kpp s LEU 35 Cb 0.00 -1.47 -0.02 0.00 0.01 0.00 0.00 46.19 44.71 1kpp s LEU 35 CO 0.00 0.17 -0.14 -0.54 1.01 0.00 0.00 176.35 176.84 1kpp s LYS 36 N 0.30 0.95 0.41 1.70 -0.14 0.37 -4.63 119.74 118.70 1kpp s LYS 36 Ca -0.15 -0.79 -0.23 0.00 -1.36 0.00 0.00 55.97 53.43 1kpp s LYS 36 Cb -0.17 -0.96 -0.09 0.00 -1.68 0.00 0.00 37.83 34.93 1kpp s LYS 36 CO 0.08 0.24 1.05 -1.25 -0.76 0.00 0.00 175.35 174.70 1kpp s PRO 37 N -1.20 4.09 0.13 -1.68 0.04 -1.26 -1.61 135.00 133.52 1kpp s PRO 37 Ca 0.02 1.50 0.02 0.00 0.04 0.00 0.00 61.00 62.57 1kpp s PRO 37 Cb -0.08 -2.47 -0.04 0.00 0.04 0.00 0.00 34.50 31.95 1kpp s PRO 37 CO 0.01 -0.20 -0.03 0.08 0.04 0.00 0.00 177.00 176.90 1kpp s VAL 38 N -1.70 0.66 -0.08 -0.36 1.01 0.33 -4.84 120.40 115.42 1kpp s VAL 38 Ca 0.59 -1.96 0.00 0.00 0.00 0.00 0.00 61.98 60.62 1kpp s VAL 38 Cb -0.21 -1.90 0.02 0.00 0.00 0.00 0.00 36.38 34.29 1kpp s VAL 38 CO 0.27 -0.68 -0.05 -0.22 0.00 0.00 0.00 175.10 174.42 1kpp s LEU 39 N -3.10 1.13 -0.02 3.92 1.98 -1.26 -1.64 118.68 119.69 1kpp s LEU 39 Ca 0.18 -0.20 0.00 0.00 -2.89 0.00 0.00 54.13 51.22 1kpp s LEU 39 Cb 0.06 -0.64 0.03 0.00 0.66 0.00 0.00 46.19 46.30 1kpp s LEU 39 CO -0.01 -0.10 0.02 -0.62 -1.89 0.00 0.00 176.35 173.75 1kpp s ASP 40 N 1.43 0.23 0.19 3.68 2.15 -0.94 -4.91 116.67 118.49 1kpp s ASP 40 Ca -0.02 0.02 -0.11 0.00 0.43 0.00 0.00 52.55 52.87 1kpp s ASP 40 Cb -0.13 -0.13 -0.07 0.00 -0.30 0.00 0.00 42.92 42.29 1kpp s ASP 40 CO -0.04 -0.12 0.52 -0.94 -0.17 0.00 0.00 175.17 174.42 1kpp s SER 41 N 1.09 6.67 0.07 -0.34 1.04 -1.26 -2.40 113.70 118.57 1kpp s SER 41 Ca -0.09 0.93 0.08 0.00 0.48 0.00 0.00 55.95 57.35 1kpp s SER 41 Cb -0.13 -2.23 -0.03 0.00 0.10 0.00 0.00 66.02 63.73 1kpp s SER 41 CO -0.03 0.00 -0.21 -0.47 0.98 0.00 0.00 173.24 173.52 1kpp s TYR 42 N -1.67 1.82 0.09 5.02 5.04 -0.67 -4.87 117.35 122.11 1kpp s TYR 42 Ca 0.43 -0.40 0.04 0.00 -2.44 0.00 0.00 57.07 54.70 1kpp s TYR 42 Cb -0.12 -1.04 -0.04 0.00 0.35 0.00 0.00 41.96 41.10 1kpp s TYR 42 CO 0.21 0.15 0.05 0.14 -1.34 0.00 0.00 175.55 174.76 1kpp s VAL 43 N -0.98 4.32 -1.20 3.14 -7.23 -1.26 -0.42 120.40 116.76 1kpp s VAL 43 Ca 0.07 -0.87 -0.09 0.00 -1.81 0.00 0.00 61.98 59.28 1kpp s VAL 43 Cb -0.09 -3.07 0.21 0.00 0.56 0.00 0.00 36.38 33.99 1kpp s VAL 43 CO 0.03 0.12 1.58 0.49 -0.31 0.00 0.00 175.10 177.01 1kpp n PHE 44 N 0.49 3.63 -3.63 2.82 3.72 -1.21 -4.56 117.46 118.73 1kpp n PHE 44 Ca -0.09 -3.04 -0.24 0.00 -0.05 0.00 0.00 57.45 54.02 1kpp n PHE 44 Cb 0.52 -1.83 0.07 0.00 -0.94 0.00 0.00 39.48 37.30 1kpp n PHE 44 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1kpp n ASN 45 N 3.64 -5.72 -1.81 4.37 4.05 -1.26 -1.22 115.26 117.31 1kpp n ASN 45 Ca 0.34 -0.58 -0.19 0.00 0.45 0.00 0.00 54.58 54.59 1kpp n ASN 45 Cb 0.38 -4.87 -0.05 0.00 1.23 0.00 0.00 39.78 36.46 1kpp n ASN 45 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 177.26 174.68 1kpp n ASP 46 N -3.00 -5.46 -0.04 1.20 8.00 -1.26 -4.83 116.55 111.15 1kpp n ASP 46 Ca -0.02 0.27 0.00 0.00 0.71 0.00 0.00 54.79 55.76 1kpp n ASP 46 Cb 0.57 -4.60 0.01 0.00 -0.02 0.00 0.00 41.12 37.08 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 -0.76 2.52 0.00 0.44 0.00 -0.36 -5.08 105.19 101.96 1kpp n GLY 47 Ca -0.21 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.38 0.00 -3.69 1.61 7.64 -1.25 -4.88 113.62 112.67 1kpp n SER 48 Ca 0.01 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.78 1kpp n SER 48 Cb 0.24 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.34 1kpp n SER 48 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1kpp s SER 49 N -3.62 -0.57 0.12 6.43 1.04 -1.26 -3.31 113.70 112.54 1kpp s SER 49 Ca 0.00 0.99 0.07 0.00 0.48 0.00 0.00 55.95 57.48 1kpp s SER 49 Cb 0.00 0.89 -0.04 0.00 0.10 0.00 0.00 66.02 66.97 1kpp s SER 49 CO 0.00 -0.19 -0.16 -0.60 0.98 0.00 0.00 173.24 173.27 1kpp s ARG 50 N 1.23 1.05 -0.71 4.02 3.52 0.43 -4.99 118.95 123.50 1kpp s ARG 50 Ca -0.08 -1.21 -0.17 0.00 -0.13 0.00 0.00 55.73 54.14 1kpp s ARG 50 Cb -0.07 -1.03 0.15 0.00 -1.56 0.00 0.00 34.95 32.45 1kpp s ARG 50 CO -0.11 0.21 0.75 -1.21 -0.81 0.00 0.00 175.30 174.12 1kpp s GLU 51 N -2.44 3.31 0.33 5.12 8.01 -1.26 -1.67 118.70 130.09 1kpp s GLU 51 Ca 0.08 -1.87 0.03 0.00 0.01 0.00 0.00 54.97 53.21 1kpp s GLU 51 Cb -0.06 -4.43 -0.02 0.00 -4.31 0.00 0.00 34.13 25.30 1kpp s GLU 51 CO 0.04 -1.44 0.50 -1.17 0.01 0.00 0.00 175.26 173.19 1kpp s LEU 52 N 1.57 4.05 0.24 1.80 2.96 -1.01 -4.77 118.68 123.52 1kpp s LEU 52 Ca 0.15 0.23 0.11 0.00 -0.22 0.00 0.00 54.13 54.40 1kpp s LEU 52 Cb -0.18 -3.08 -0.05 0.00 0.50 0.00 0.00 46.19 43.39 1kpp s LEU 52 CO -0.02 -0.30 -0.20 -0.32 -1.32 0.00 0.00 176.35 174.18 1kpp s MET 53 N -4.23 1.57 -0.02 1.98 1.75 -1.25 -2.22 119.30 116.88 1kpp s MET 53 Ca 0.40 -1.66 -0.22 0.00 -1.25 0.00 0.00 55.69 52.96 1kpp s MET 53 Cb -0.09 -1.68 0.04 0.00 2.84 0.00 0.00 34.83 35.94 1kpp s MET 53 CO 0.33 0.33 0.47 1.21 -0.65 0.00 0.00 175.02 176.71 1kpp s ASN 54 N -3.22 -0.39 -0.05 1.11 3.84 -0.65 -2.96 114.94 112.62 1kpp s ASN 54 Ca 0.26 0.32 0.05 0.00 0.21 0.00 0.00 52.86 53.69 1kpp s ASN 54 Cb -0.05 0.42 -0.00 0.00 -0.55 0.00 0.00 41.25 41.06 1kpp s ASN 54 CO 0.12 -0.54 -0.20 -0.76 -2.79 0.00 0.00 177.10 172.93 1kpp s LEU 55 N -1.38 1.97 0.22 3.21 1.43 -0.78 0.12 118.68 123.47 1kpp s LEU 55 Ca -0.11 -0.42 0.11 0.00 -1.03 0.00 0.00 54.13 52.67 1kpp s LEU 55 Cb -0.03 -1.14 -0.05 0.00 0.03 0.00 0.00 46.19 45.01 1kpp s LEU 55 CO 0.05 0.18 -0.21 0.28 0.23 0.00 0.00 176.35 176.88 1kpp s THR 56 N 0.02 2.29 0.00 5.49 -1.32 -0.63 0.62 115.64 122.11 1kpp s THR 56 Ca -0.06 -2.16 0.00 0.00 -1.21 0.00 0.00 61.69 58.26 1kpp s THR 56 Cb -0.13 -2.15 0.00 0.00 -1.51 0.00 0.00 72.50 68.71 1kpp s THR 56 CO 0.03 -0.27 0.00 0.61 -2.21 0.00 0.00 174.62 172.78 1kpp n GLY 57 N -0.09 0.75 2.89 6.08 0.00 -1.09 -0.48 105.19 113.25 1kpp n GLY 57 Ca -0.10 -1.10 -0.21 0.00 0.00 0.00 0.00 46.02 44.61 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 0.59 -0.43 2.61 -4.23 -0.83 -0.38 115.64 110.97 1kpp s THR 58 Ca 0.00 -0.13 -0.24 0.00 -1.18 0.00 0.00 61.69 60.14 1kpp s THR 58 Cb 0.00 -0.62 0.02 0.00 1.34 0.00 0.00 72.50 73.24 1kpp s THR 58 CO 0.00 0.25 0.84 0.27 -0.54 0.00 0.00 174.62 175.44 1kpp s ILE 59 N 1.06 4.61 -0.63 2.99 -4.36 -1.15 -4.71 121.20 119.01 1kpp s ILE 59 Ca -0.09 0.70 -0.26 0.00 -0.26 0.00 0.00 60.65 60.75 1kpp s ILE 59 Cb -0.14 -4.33 -0.07 0.00 1.25 0.00 0.00 42.46 39.17 1kpp s ILE 59 CO -0.01 -0.67 2.23 -2.84 0.24 0.00 0.00 174.94 173.89 1kpp s PRO 60 N 3.41 2.17 -0.02 0.37 0.02 -1.26 -2.93 135.00 136.76 1kpp s PRO 60 Ca 0.33 0.84 0.05 0.00 0.02 0.00 0.00 61.00 62.25 1kpp s PRO 60 Cb -0.12 -4.63 -0.03 0.00 0.02 0.00 0.00 34.50 29.75 1kpp s PRO 60 CO 0.22 -3.41 -0.17 0.14 -0.33 0.00 0.00 177.00 173.46 1kpp s VAL 61 N 11.78 2.86 0.80 3.83 -7.23 0.30 -4.88 120.40 127.86 1kpp s VAL 61 Ca 0.86 -0.90 -0.12 0.00 -1.81 0.00 0.00 61.98 60.01 1kpp s VAL 61 Cb -0.14 -2.13 0.08 0.00 0.56 0.00 0.00 36.38 34.76 1kpp s VAL 61 CO 0.18 0.52 1.16 -2.16 -0.31 0.00 0.00 175.10 174.49 1kpp s PRO 62 N -0.90 1.77 -0.28 4.82 0.04 -1.26 0.86 135.00 140.04 1kpp s PRO 62 Ca 0.12 1.57 -0.02 0.00 0.04 0.00 0.00 61.00 62.71 1kpp s PRO 62 Cb -0.10 -1.81 0.17 0.00 0.04 0.00 0.00 34.50 32.80 1kpp s PRO 62 CO 0.02 -2.08 0.54 -0.47 0.04 0.00 0.00 177.00 175.05 1kpp s TYR 63 N -2.40 -1.39 -1.77 0.56 6.14 -0.35 -4.65 117.35 113.48 1kpp s TYR 63 Ca 0.69 1.48 0.00 0.00 0.64 0.00 0.00 57.07 59.88 1kpp s TYR 63 Cb -0.24 0.42 0.00 0.00 0.42 0.00 0.00 41.96 42.55 1kpp s TYR 63 CO 0.52 -0.83 0.00 0.54 0.64 0.00 0.00 175.55 176.41 1kpp n ARG 64 N 5.41 -1.70 -0.42 4.97 5.12 -1.26 -0.89 116.66 127.90 1kpp n ARG 64 Ca -0.02 1.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.90 1kpp n ARG 64 Cb 0.51 -5.61 0.00 0.00 -1.16 0.00 0.00 32.46 26.20 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 -0.88 0.76 0.00 -0.13 0.00 -1.26 -5.05 105.19 98.62 1kpp n GLY 65 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 1.61 -4.38 1.61 2.85 -0.06 -5.13 115.26 111.76 1kpp n ASN 66 Ca 0.00 -0.84 -0.35 0.00 -0.11 0.00 0.00 54.58 53.28 1kpp n ASN 66 Cb 0.00 0.00 -0.13 0.00 1.24 0.00 0.00 39.78 40.89 1kpp n ASN 66 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 1kpp s THR 67 N -0.33 3.54 0.30 -0.44 2.01 -1.26 -1.22 115.64 118.24 1kpp s THR 67 Ca 0.00 -0.45 0.10 0.00 0.31 0.00 0.00 61.69 61.64 1kpp s THR 67 Cb 0.00 -2.58 -0.06 0.00 0.01 0.00 0.00 72.50 69.87 1kpp s THR 67 CO 0.00 0.45 -0.13 -0.47 -0.69 0.00 0.00 174.62 173.78 1kpp s TYR 68 N 1.07 2.23 -0.03 4.92 5.04 0.25 -4.86 117.35 125.96 1kpp s TYR 68 Ca 0.01 -0.48 -0.01 0.00 -2.44 0.00 0.00 57.07 54.15 1kpp s TYR 68 Cb -0.15 -1.15 0.03 0.00 0.35 0.00 0.00 41.96 41.05 1kpp s TYR 68 CO 0.00 0.56 0.05 0.54 -1.34 0.00 0.00 175.55 175.37 1kpp s ASN 69 N -3.52 0.71 -0.51 4.32 4.22 -1.26 0.11 114.94 119.01 1kpp s ASN 69 Ca 0.30 0.08 -0.14 0.00 -2.14 0.00 0.00 52.86 50.96 1kpp s ASN 69 Cb -0.00 -0.09 0.12 0.00 1.28 0.00 0.00 41.25 42.55 1kpp s ASN 69 CO 0.14 -0.20 0.44 -0.63 -2.04 0.00 0.00 177.10 174.81 1kpp s ILE 70 N 1.76 4.93 -0.34 0.54 -1.09 -1.15 -4.86 121.20 120.99 1kpp s ILE 70 Ca -0.00 -1.51 -0.28 0.00 -2.23 0.00 0.00 60.65 56.62 1kpp s ILE 70 Cb -0.12 -4.14 -0.02 0.00 -1.58 0.00 0.00 42.46 36.59 1kpp s ILE 70 CO -0.03 -0.80 1.80 -2.16 -1.23 0.00 0.00 174.94 172.52 1kpp s PRO 71 N 1.54 3.32 0.02 2.79 0.04 -1.26 -2.95 135.00 138.51 1kpp s PRO 71 Ca 0.04 1.41 0.07 0.00 0.04 0.00 0.00 61.00 62.56 1kpp s PRO 71 Cb -0.28 -4.20 -0.02 0.00 0.04 0.00 0.00 34.50 30.03 1kpp s PRO 71 CO 0.03 -1.88 -0.22 0.96 0.04 0.00 0.00 177.00 175.93 1kpp s ILE 72 N 6.94 1.77 0.38 0.56 -5.25 0.48 -2.55 121.20 123.54 1kpp s ILE 72 Ca 0.79 -1.14 0.08 0.00 -0.99 0.00 0.00 60.65 59.39 1kpp s ILE 72 Cb -0.22 -1.51 -0.03 0.00 2.95 0.00 0.00 42.46 43.65 1kpp s ILE 72 CO 0.33 0.33 0.32 0.00 -1.79 0.00 0.00 174.94 174.14 1kpp s LEU 74 N -4.05 1.91 0.05 0.00 1.02 0.20 -2.13 118.68 115.67 1kpp s LEU 74 Ca 0.45 -0.18 0.06 0.00 0.02 0.00 0.00 54.13 54.48 1kpp s LEU 74 Cb -0.04 -0.53 -0.03 0.00 0.02 0.00 0.00 46.19 45.61 1kpp s LEU 74 CO 0.27 0.09 -0.15 0.26 0.02 0.00 0.00 176.35 176.85 1kpp s TRP 75 N -0.03 2.65 0.25 0.29 0.23 0.29 -1.87 118.94 120.75 1kpp s TRP 75 Ca 0.00 -0.20 0.12 0.00 -2.03 0.00 0.00 56.10 53.99 1kpp s TRP 75 Cb -0.06 -1.48 -0.05 0.00 0.03 0.00 0.00 33.47 31.91 1kpp s TRP 75 CO 0.00 0.31 -0.21 -0.51 0.96 0.00 0.00 176.95 177.50 1kpp s LEU 76 N -1.59 2.54 0.39 2.99 2.01 -1.15 -2.41 118.68 121.45 1kpp s LEU 76 Ca 0.16 -0.98 0.04 0.00 0.01 0.00 0.00 54.13 53.36 1kpp s LEU 76 Cb -0.11 -1.11 -0.04 0.00 0.01 0.00 0.00 46.19 44.94 1kpp s LEU 76 CO 0.07 0.06 0.09 -1.48 1.01 0.00 0.00 176.35 176.10 1kpp s LEU 77 N -3.23 2.11 -0.58 1.79 -0.00 -1.26 -4.71 118.68 112.80 1kpp s LEU 77 Ca 0.27 -1.55 -0.02 0.00 -0.00 0.00 0.00 54.13 52.83 1kpp s LEU 77 Cb -0.06 -0.29 0.39 0.00 -0.00 0.00 0.00 46.19 46.23 1kpp s LEU 77 CO 0.13 -0.79 2.03 -0.90 -0.00 0.00 0.00 176.35 176.83 1kpp n ASP 78 N -1.04 7.39 -0.04 1.48 5.75 -1.26 -4.74 116.55 124.09 1kpp n ASP 78 Ca -0.06 -3.61 -0.01 0.00 -0.01 0.00 0.00 54.79 51.11 1kpp n ASP 78 Cb 0.66 -1.00 -0.00 0.00 -1.03 0.00 0.00 41.12 39.75 1kpp n ASP 78 CO 0.00 0.00 0.00 1.07 -0.11 0.00 0.00 177.20 178.16 1kpp n THR 79 N -0.61 0.00 -3.98 2.12 5.66 -1.26 -4.53 114.28 111.69 1kpp n THR 79 Ca 0.55 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 61.47 1kpp n THR 79 Cb 0.64 -0.43 -0.09 0.00 -1.55 0.00 0.00 70.33 68.90 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 -1.65 0.33 -0.00 1.09 2.02 -1.26 -4.38 117.35 113.49 1kpp s TYR 80 Ca 0.00 -0.79 -0.20 0.00 -0.37 0.00 0.00 57.07 55.71 1kpp s TYR 80 Cb 0.00 -0.23 -0.25 0.00 -0.40 0.00 0.00 41.96 41.08 1kpp s TYR 80 CO 0.00 -0.43 1.06 -1.00 -1.57 0.00 0.00 175.55 173.62 1kpp h PRO 81 N 3.15 0.39 0.00 -1.71 0.13 -1.97 -3.42 132.00 128.57 1kpp h PRO 81 Ca -0.34 -0.45 0.00 0.00 -0.87 0.00 0.00 66.00 64.34 1kpp h PRO 81 Cb 1.17 0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1kpp h PRO 81 CO 0.59 1.13 0.00 0.66 -0.23 0.00 0.00 178.00 180.15 1kpp n TYR 82 N -4.20 0.00 0.00 1.56 4.01 -1.26 -5.04 117.16 112.22 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 0.70 -0.42 0.00 0.00 -0.31 0.00 0.00 39.34 39.31 1kpp n TYR 82 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 1kpp n ASN 83 N -1.77 0.00 -4.71 7.72 0.23 -1.26 -5.00 115.26 110.46 1kpp n ASN 83 Ca 0.00 0.00 -0.43 0.00 -0.53 0.00 0.00 54.58 53.62 1kpp n ASN 83 Cb 0.00 0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 37.68 1kpp n ASN 83 CO 0.00 0.00 0.00 -2.65 -0.93 0.00 0.00 177.26 173.68 1kpp n PRO 84 N 0.00 2.37 -2.43 -0.53 -0.02 -1.26 -4.85 135.00 128.28 1kpp n PRO 84 Ca 0.00 0.84 -0.41 0.00 -2.02 0.00 0.00 63.50 61.91 1kpp n PRO 84 Cb 0.00 -2.55 -0.03 0.00 -0.02 0.00 0.00 33.50 30.89 1kpp n PRO 84 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1kpp s PRO 85 N -0.62 4.50 0.33 0.52 0.04 -1.26 -4.89 135.00 133.62 1kpp s PRO 85 Ca 0.65 1.80 -0.20 0.00 0.04 0.00 0.00 61.00 63.29 1kpp s PRO 85 Cb -0.57 -3.28 -0.09 0.00 0.04 0.00 0.00 34.50 30.60 1kpp s PRO 85 CO 0.50 -0.09 0.83 0.42 0.04 0.00 0.00 177.00 178.70 1kpp s ILE 86 N 0.22 4.49 -0.02 0.56 1.01 -1.01 -4.93 121.20 121.53 1kpp s ILE 86 Ca 0.54 1.32 0.00 0.00 0.00 0.00 0.00 60.65 62.51 1kpp s ILE 86 Cb -0.31 -3.74 0.03 0.00 0.01 0.00 0.00 42.46 38.45 1kpp s ILE 86 CO 0.34 -0.07 0.03 0.00 0.00 0.00 0.00 174.94 175.24 1kpp n PHE 88 N 4.05 0.18 -3.59 0.00 3.72 -0.90 -3.14 117.46 117.78 1kpp n PHE 88 Ca -0.26 -1.57 -0.29 0.00 -0.05 0.00 0.00 57.45 55.28 1kpp n PHE 88 Cb 0.51 -0.24 -0.12 0.00 -0.94 0.00 0.00 39.48 38.69 1kpp n PHE 88 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 1kpp s VAL 89 N -2.03 0.92 -0.28 -4.37 -7.23 0.48 -1.86 120.40 106.02 1kpp s VAL 89 Ca 0.07 -2.45 -0.30 0.00 -1.81 0.00 0.00 61.98 57.49 1kpp s VAL 89 Cb -0.01 -1.64 -0.07 0.00 0.56 0.00 0.00 36.38 35.22 1kpp s VAL 89 CO 0.04 -1.00 2.23 1.17 -0.31 0.00 0.00 175.10 177.23 1kpp n LYS 90 N 3.43 1.61 0.00 4.82 0.00 -1.06 -4.77 118.16 122.19 1kpp n LYS 90 Ca 0.15 0.42 0.00 0.00 0.00 0.00 0.00 58.31 58.88 1kpp n LYS 90 Cb 0.38 -2.98 0.00 0.00 0.00 0.00 0.00 35.03 32.43 1kpp n LYS 90 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 1kpp n PRO 91 N 8.59 -0.15 -4.05 1.64 -0.04 -1.26 -4.51 135.00 135.21 1kpp n PRO 91 Ca 0.34 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.69 1kpp n PRO 91 Cb 0.38 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.79 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 -0.80 0.00 0.31 0.52 -4.23 -1.26 -5.03 115.64 105.15 1kpp s THR 92 Ca 0.00 -1.55 0.26 0.00 -1.18 0.00 0.00 61.69 59.22 1kpp s THR 92 Cb 0.00 -2.45 0.26 0.00 1.34 0.00 0.00 72.50 71.66 1kpp s THR 92 CO 0.00 0.00 1.97 -1.28 -0.54 0.00 0.00 174.62 174.77 1kpp h SER 93 N 2.23 0.00 -0.18 3.99 0.87 -1.99 -3.03 113.55 115.44 1kpp h SER 93 Ca -0.28 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.26 1kpp h SER 93 Cb 1.25 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.20 1kpp h SER 93 CO 0.39 0.17 0.06 -1.28 -0.53 0.00 0.00 176.83 175.64 1kpp h SER 94 N 0.00 0.26 -2.34 6.23 0.87 -2.05 -3.46 113.55 113.07 1kpp h SER 94 Ca -0.00 -0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.36 1kpp h SER 94 Cb 0.50 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.39 1kpp h SER 94 CO 0.02 0.39 0.00 0.23 -0.53 0.00 0.00 176.83 176.94 1kpp n MET 95 N -4.82 2.11 0.00 2.24 2.81 -1.14 -5.12 117.12 113.19 1kpp n MET 95 Ca -0.04 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.85 1kpp n MET 95 Cb 0.14 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.65 1kpp n MET 95 CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 1kpp n THR 96 N 0.00 0.00 -4.31 2.03 5.66 -1.26 -4.31 114.28 112.09 1kpp n THR 96 Ca 0.00 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.70 1kpp n THR 96 Cb 0.00 0.00 -0.16 0.00 -1.55 0.00 0.00 70.33 68.62 1kpp n THR 96 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 1kpp s ILE 97 N 2.20 1.67 0.57 1.09 -1.09 -1.26 -3.79 121.20 120.59 1kpp s ILE 97 Ca 0.00 -0.72 -0.07 0.00 -2.23 0.00 0.00 60.65 57.63 1kpp s ILE 97 Cb 0.00 -1.53 -0.01 0.00 -1.58 0.00 0.00 42.46 39.34 1kpp s ILE 97 CO 0.00 0.47 0.90 -0.75 -1.23 0.00 0.00 174.94 174.33 1kpp s LYS 98 N 1.16 3.24 -0.03 2.79 2.36 -1.01 -4.76 119.74 123.49 1kpp s LYS 98 Ca -0.02 0.23 -0.01 0.00 -2.55 0.00 0.00 55.97 53.62 1kpp s LYS 98 Cb -0.14 -2.26 0.03 0.00 -1.05 0.00 0.00 37.83 34.41 1kpp s LYS 98 CO -0.06 -0.53 0.06 0.95 1.55 0.00 0.00 175.35 177.32 1kpp s THR 99 N -2.96 -0.04 0.00 3.43 -4.23 -1.26 -4.22 115.64 106.36 1kpp s THR 99 Ca 0.52 0.16 0.00 0.00 -1.18 0.00 0.00 61.69 61.19 1kpp s THR 99 Cb -0.11 -0.12 0.00 0.00 1.34 0.00 0.00 72.50 73.62 1kpp s THR 99 CO 0.47 0.07 0.00 0.61 -0.54 0.00 0.00 174.62 175.23 1kpp n GLY 100 N 3.95 -0.60 0.00 3.99 0.00 -1.26 -4.99 105.19 106.28 1kpp n GLY 100 Ca -0.24 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.72 1.61 4.76 -1.26 -4.70 118.16 115.84 1kpp n LYS 101 Ca 0.00 0.58 -0.08 0.00 -2.87 0.00 0.00 58.31 55.94 1kpp n LYS 101 Cb 0.00 -1.44 0.08 0.00 -1.84 0.00 0.00 35.03 31.84 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 -2.08 -2.58 -0.14 2.13 1.44 -1.26 -4.83 115.22 107.89 1kpp n HIS 102 Ca 0.00 -1.79 0.00 0.00 -2.01 0.00 0.00 57.72 53.92 1kpp n HIS 102 Cb 0.00 1.54 0.00 0.00 0.12 0.00 0.00 29.99 31.65 1kpp n HIS 102 CO 0.00 0.00 0.00 1.33 -2.81 0.00 0.00 176.34 174.86 1kpp n VAL 103 N 0.77 0.00 -2.96 0.61 0.24 -0.87 -3.84 118.33 112.28 1kpp n VAL 103 Ca 0.05 -0.16 0.00 0.00 -2.04 0.00 0.00 64.34 62.19 1kpp n VAL 103 Cb 0.69 1.14 0.00 0.00 -1.47 0.00 0.00 33.84 34.20 1kpp n VAL 103 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1kpp n ASP 104 N -0.25 -0.68 -0.08 -1.34 2.03 -0.97 0.04 116.55 115.30 1kpp n ASP 104 Ca 0.00 0.00 -0.07 0.00 0.52 0.00 0.00 54.79 55.24 1kpp n ASP 104 Cb 0.04 0.00 -0.13 0.00 -0.72 0.00 0.00 41.12 40.31 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 3.18 1.65 -1.22 -1.67 0.00 -1.26 -4.04 120.51 117.16 1kpp n ALA 105 Ca 0.00 -1.03 -0.10 0.00 0.00 0.00 0.00 53.44 52.31 1kpp n ALA 105 Cb 0.00 -0.11 0.23 0.00 0.00 0.00 0.00 19.45 19.57 1kpp n ALA 105 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1kpp n ASN 106 N -2.57 3.72 -2.03 0.00 3.02 -1.26 -4.91 115.26 111.22 1kpp n ASN 106 Ca -0.25 -3.49 -0.09 0.00 -0.03 0.00 0.00 54.58 50.72 1kpp n ASN 106 Cb 1.00 -0.72 0.04 0.00 -0.61 0.00 0.00 39.78 39.48 1kpp n ASN 106 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1kpp n GLY 107 N -0.79 0.16 3.88 7.41 0.00 -0.93 -4.74 105.19 110.18 1kpp n GLY 107 Ca 0.43 -0.23 -0.36 0.00 0.00 0.00 0.00 46.02 45.87 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 -5.08 3.41 -0.56 1.61 2.20 0.11 -0.39 119.74 121.03 1kpp s LYS 108 Ca 0.13 -0.21 -0.14 0.00 -0.36 0.00 0.00 55.97 55.38 1kpp s LYS 108 Cb -0.06 -3.14 0.14 0.00 -1.51 0.00 0.00 37.83 33.27 1kpp s LYS 108 CO 0.34 0.74 0.50 0.42 -0.36 0.00 0.00 175.35 176.99 1kpp s ILE 109 N -1.13 5.00 -0.66 5.43 1.09 -1.19 -2.04 121.20 127.70 1kpp s ILE 109 Ca 0.19 -1.73 -0.02 0.00 -1.10 0.00 0.00 60.65 57.99 1kpp s ILE 109 Cb -0.12 -4.21 0.44 0.00 -1.06 0.00 0.00 42.46 37.51 1kpp s ILE 109 CO 0.09 -0.87 2.04 -1.22 -0.10 0.00 0.00 174.94 174.88 1kpp n TYR 110 N 4.96 3.17 -1.69 3.97 4.01 -1.25 -4.85 117.16 125.48 1kpp n TYR 110 Ca -0.08 -2.98 -0.43 0.00 -0.16 0.00 0.00 57.90 54.25 1kpp n TYR 110 Cb 0.41 -1.43 -0.01 0.00 -0.31 0.00 0.00 39.34 38.00 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 -0.86 3.49 0.17 7.72 4.77 -1.26 -4.90 117.00 126.13 1kpp n LEU 111 Ca 0.62 1.20 0.05 0.00 -0.03 0.00 0.00 56.01 57.84 1kpp n LEU 111 Cb 0.64 -1.48 0.20 0.00 -2.33 0.00 0.00 43.42 40.45 1kpp n LEU 111 CO 0.78 -0.48 0.60 1.55 -1.33 0.00 0.00 177.39 178.51 1kpp h PRO 112 N 2.86 0.00 -0.29 3.23 0.13 -1.95 -3.08 132.00 132.90 1kpp h PRO 112 Ca -0.46 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.71 1kpp h PRO 112 Cb 1.28 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.37 1kpp h PRO 112 CO 0.65 0.40 0.04 1.88 -0.23 0.00 0.00 178.00 180.75 1kpp h TYR 113 N 0.00 0.07 0.00 1.56 -1.99 -1.97 -0.54 116.97 114.11 1kpp h TYR 113 Ca -0.00 0.02 -0.18 0.00 2.00 0.00 0.00 58.73 60.56 1kpp h TYR 113 Cb 1.12 0.01 -0.02 0.00 2.00 0.00 0.00 36.73 39.85 1kpp h TYR 113 CO 0.00 0.00 -0.84 1.37 -0.00 0.00 0.00 178.16 178.69 1kpp h LEU 114 N 0.15 0.15 -1.29 3.88 8.10 -1.92 -3.10 115.31 121.28 1kpp h LEU 114 Ca 0.14 -0.12 -0.02 0.00 0.11 0.00 0.00 57.88 57.98 1kpp h LEU 114 Cb 0.15 -0.05 -0.03 0.00 -0.44 0.00 0.00 40.66 40.30 1kpp h LEU 114 CO -0.19 0.92 0.25 -0.74 -4.11 0.00 0.00 178.44 174.57 1kpp h HIS 115 N 0.07 0.72 -0.52 0.17 2.76 -1.33 -1.52 115.15 115.51 1kpp h HIS 115 Ca -0.03 -0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.12 1kpp h HIS 115 Cb 1.46 -0.23 -0.00 0.00 1.55 0.00 0.00 27.41 30.19 1kpp h HIS 115 CO 0.02 0.54 0.00 0.39 -1.30 0.00 0.00 177.93 177.58 1kpp n GLU 116 N -4.37 4.51 -4.16 5.26 1.02 -0.26 -4.86 120.64 117.77 1kpp n GLU 116 Ca 0.04 -2.83 -0.34 0.00 -0.02 0.00 0.00 57.16 54.02 1kpp n GLU 116 Cb 0.13 -2.19 -0.15 0.00 -0.02 0.00 0.00 31.44 29.20 1kpp n GLU 116 CO 0.00 0.00 0.00 -0.46 1.18 0.00 0.00 177.13 177.85 1kpp s TRP 117 N -2.58 2.82 -0.09 -0.32 -0.11 -0.57 -5.05 118.94 113.03 1kpp s TRP 117 Ca 0.49 -1.35 0.02 0.00 1.22 0.00 0.00 56.10 56.48 1kpp s TRP 117 Cb 0.37 -1.96 0.01 0.00 -1.50 0.00 0.00 33.47 30.40 1kpp s TRP 117 CO 0.14 -0.67 -0.14 -1.59 -4.62 0.00 0.00 176.95 170.07 1kpp s LYS 118 N 1.23 1.98 0.95 5.86 0.00 -1.26 -4.94 119.74 123.57 1kpp s LYS 118 Ca 0.03 -0.49 -0.13 0.00 0.00 0.00 0.00 55.97 55.39 1kpp s LYS 118 Cb -0.14 -1.69 0.04 0.00 0.00 0.00 0.00 37.83 36.04 1kpp s LYS 118 CO -0.08 -0.04 0.40 -2.39 0.00 0.00 0.00 175.35 173.25 1kpp n HIS 119 N 4.09 -1.45 -2.95 1.78 1.44 -1.26 -4.60 115.22 112.27 1kpp n HIS 119 Ca -0.20 0.23 -0.38 0.00 -2.01 0.00 0.00 57.72 55.36 1kpp n HIS 119 Cb 0.51 -1.78 -0.06 0.00 0.12 0.00 0.00 29.99 28.78 1kpp n HIS 119 CO 0.00 0.00 0.00 -1.25 -2.81 0.00 0.00 176.34 172.28 1kpp s PRO 120 N -3.64 4.52 0.00 -1.40 0.05 -1.26 -4.96 135.00 128.32 1kpp s PRO 120 Ca 0.57 1.15 0.00 0.00 0.05 0.00 0.00 61.00 62.77 1kpp s PRO 120 Cb -0.21 -3.07 0.00 0.00 0.05 0.00 0.00 34.50 31.27 1kpp s PRO 120 CO 0.67 0.46 0.00 1.04 0.05 0.00 0.00 177.00 179.22 1kpp n GLN 121 N 1.14 0.00 -2.51 4.56 6.02 -1.26 -5.11 117.38 120.22 1kpp n GLN 121 Ca -0.03 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.53 1kpp n GLN 121 Cb 0.49 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.73 1kpp n GLN 121 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1kpp s SER 122 N 0.00 7.02 0.35 1.08 1.04 -1.26 -5.01 113.70 116.92 1kpp s SER 122 Ca 0.00 1.60 0.05 0.00 0.48 0.00 0.00 55.95 58.09 1kpp s SER 122 Cb 0.00 -2.54 -0.03 0.00 0.10 0.00 0.00 66.02 63.55 1kpp s SER 122 CO 0.00 -0.70 0.21 -1.81 0.98 0.00 0.00 173.24 171.92 1kpp s ASP 123 N 1.65 2.00 0.33 7.02 1.01 -1.26 -4.88 116.67 122.53 1kpp s ASP 123 Ca 0.51 -1.71 0.23 0.00 0.71 0.00 0.00 52.55 52.30 1kpp s ASP 123 Cb -0.20 0.53 0.24 0.00 1.01 0.00 0.00 42.92 44.51 1kpp s ASP 123 CO 0.13 -1.00 1.40 -0.07 0.21 0.00 0.00 175.17 175.84 1kpp h LEU 124 N 2.04 0.00 -0.39 1.23 3.38 -1.95 -2.66 115.31 116.96 1kpp h LEU 124 Ca -0.29 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.59 1kpp h LEU 124 Cb 1.25 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 1kpp h LEU 124 CO 0.45 0.01 -0.07 -0.07 0.09 0.00 0.00 178.44 178.85 1kpp h LEU 125 N 0.00 0.73 0.11 1.67 4.07 -1.94 -2.96 115.31 116.99 1kpp h LEU 125 Ca 0.00 -0.35 -0.33 0.00 0.08 0.00 0.00 57.88 57.28 1kpp h LEU 125 Cb 0.97 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 42.50 1kpp h LEU 125 CO 0.00 0.91 -1.75 1.23 -1.08 0.00 0.00 178.44 177.75 1kpp h GLY 126 N 0.54 0.27 1.09 0.83 0.00 -1.96 -3.13 103.07 100.72 1kpp h GLY 126 Ca 0.10 -0.70 0.12 0.00 0.00 0.00 0.00 47.33 46.85 1kpp h GLY 126 CO 0.03 0.61 0.34 -2.00 0.00 0.00 0.00 176.54 175.53 1kpp h LEU 127 N 0.07 0.00 0.01 3.11 5.85 -1.54 0.26 115.31 123.07 1kpp h LEU 127 Ca -0.33 0.00 -0.30 0.00 0.84 0.00 0.00 57.88 58.09 1kpp h LEU 127 Cb 2.04 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 43.02 1kpp h LEU 127 CO 0.13 0.00 -1.74 -0.38 -0.34 0.00 0.00 178.44 176.10 1kpp n ILE 128 N -4.09 1.63 -0.06 4.05 -0.00 -1.12 -4.00 119.36 115.77 1kpp n ILE 128 Ca 0.07 -0.78 0.12 0.00 -0.00 0.00 0.00 62.75 62.16 1kpp n ILE 128 Cb 0.53 -1.11 0.52 0.00 -0.00 0.00 0.00 39.64 39.58 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 0.01 0.34 -0.52 0.38 4.15 -0.89 -1.01 115.11 117.57 1kpp h GLN 129 Ca -0.30 -0.02 0.04 0.00 0.77 0.00 0.00 58.65 59.14 1kpp h GLN 129 Cb 2.02 -0.08 -0.04 0.00 0.21 0.00 0.00 27.48 29.59 1kpp h GLN 129 CO 0.08 0.23 0.28 -0.24 -1.93 0.00 0.00 178.83 177.24 1kpp h VAL 130 N 0.35 0.98 -0.43 2.39 3.04 -1.61 -1.80 116.25 119.18 1kpp h VAL 130 Ca 0.26 -0.18 -0.12 0.00 -1.01 0.00 0.00 66.70 65.64 1kpp h VAL 130 Cb 0.56 0.39 -0.01 0.00 -2.01 0.00 0.00 31.29 30.22 1kpp h VAL 130 CO -0.07 0.10 -0.22 0.24 -1.01 0.00 0.00 177.57 176.61 1kpp h MET 131 N 0.54 0.86 -0.29 4.17 2.86 -1.42 0.11 114.93 121.77 1kpp h MET 131 Ca 0.22 -0.36 0.08 0.00 -2.06 0.00 0.00 59.70 57.59 1kpp h MET 131 Cb 0.11 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.72 1kpp h MET 131 CO -0.14 1.00 0.31 0.82 1.06 0.00 0.00 176.91 179.95 1kpp h ILE 132 N 0.75 0.44 0.00 -1.22 1.08 -0.52 0.85 117.51 118.89 1kpp h ILE 132 Ca 0.10 0.00 -0.24 0.00 -0.39 0.00 0.00 64.86 64.33 1kpp h ILE 132 Cb 0.76 0.76 -0.04 0.00 -3.07 0.00 0.00 36.82 35.23 1kpp h ILE 132 CO 0.06 0.00 -1.56 0.52 -0.69 0.00 0.00 178.15 176.48 1kpp n VAL 133 N -3.79 1.51 -0.20 1.67 0.31 -0.90 -2.35 118.33 114.58 1kpp n VAL 133 Ca 0.04 -0.09 -0.04 0.00 -0.01 0.00 0.00 64.34 64.24 1kpp n VAL 133 Cb 0.45 -2.09 0.06 0.00 -0.91 0.00 0.00 33.84 31.36 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 1.03 0.00 2.52 2.07 -0.69 -1.83 116.25 118.35 1kpp h VAL 134 Ca -0.37 -0.23 -0.07 0.00 0.82 0.00 0.00 66.70 66.85 1kpp h VAL 134 Cb 1.25 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 1kpp h VAL 134 CO -0.22 0.12 -0.61 -0.26 0.02 0.00 0.00 177.57 176.61 1kpp h PHE 135 N 0.67 0.00 0.00 1.57 -1.00 0.51 -3.14 116.94 115.56 1kpp h PHE 135 Ca 0.25 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.97 1kpp h PHE 135 Cb 0.08 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.63 1kpp h PHE 135 CO -0.07 0.32 -0.26 0.78 -1.61 0.00 0.00 178.31 177.46 1kpp h GLY 136 N 3.74 0.00 0.75 -1.45 0.00 -0.96 -3.08 103.07 102.06 1kpp h GLY 136 Ca -0.03 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 46.95 1kpp h GLY 136 CO 0.04 0.00 -1.89 -0.55 0.00 0.00 0.00 176.54 174.13 1kpp h ASP 137 N 0.00 0.42 -0.22 0.19 3.32 -1.44 -3.41 116.42 115.28 1kpp h ASP 137 Ca -0.00 -0.84 0.26 0.00 0.02 0.00 0.00 57.03 56.47 1kpp h ASP 137 Cb 0.51 -0.14 -0.23 0.00 0.22 0.00 0.00 39.33 39.70 1kpp h ASP 137 CO 0.03 1.74 0.30 -0.70 -1.72 0.00 0.00 179.24 178.89 1kpp s GLU 138 N -2.57 0.10 0.26 3.56 -6.30 -1.17 -4.91 118.70 107.67 1kpp s GLU 138 Ca -0.19 0.20 -0.30 0.00 -2.50 0.00 0.00 54.97 52.18 1kpp s GLU 138 Cb 0.06 0.11 -0.13 0.00 0.00 0.00 0.00 34.13 34.17 1kpp s GLU 138 CO 0.80 -0.08 1.32 -2.30 0.02 0.00 0.00 175.26 175.02 1kpp n PRO 139 N 5.23 1.93 0.17 4.30 -0.02 -1.23 -4.51 135.00 140.88 1kpp n PRO 139 Ca -0.08 0.68 0.09 0.00 -2.02 0.00 0.00 63.50 62.17 1kpp n PRO 139 Cb 0.54 -2.28 0.10 0.00 -0.02 0.00 0.00 33.50 31.84 1kpp n PRO 139 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1kpp h PRO 140 N 3.54 0.00 -6.50 0.52 0.13 -1.92 -3.46 132.00 124.30 1kpp h PRO 140 Ca -0.45 0.00 -0.42 0.00 -0.87 0.00 0.00 66.00 64.27 1kpp h PRO 140 Cb 1.29 0.00 0.22 0.00 0.13 0.00 0.00 31.00 32.64 1kpp h PRO 140 CO 0.71 0.16 -1.14 0.28 -0.23 0.00 0.00 178.00 177.78 1kpp n VAL 141 N -3.07 0.00 0.00 1.56 0.31 -1.26 -4.43 118.33 111.44 1kpp n VAL 141 Ca 0.02 -0.22 0.00 0.00 -0.01 0.00 0.00 64.34 64.13 1kpp n VAL 141 Cb 0.61 -0.53 0.00 0.00 -0.91 0.00 0.00 33.84 33.01 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 -4.36 0.00 -1.67 3.52 7.35 -1.25 -4.69 117.46 116.36 1kpp n PHE 142 Ca 0.01 0.00 -0.32 0.00 -0.76 0.00 0.00 57.45 56.38 1kpp n PHE 142 Cb 0.60 0.00 -0.02 0.00 0.35 0.00 0.00 39.48 40.41 1kpp n PHE 142 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1kpp n SER 143 N 0.00 6.90 -2.50 -2.13 2.88 -1.26 -2.42 113.62 115.09 1kpp n SER 143 Ca 0.00 -3.44 -0.01 0.00 -1.33 0.00 0.00 58.87 54.09 1kpp n SER 143 Cb 0.00 -1.18 0.00 0.00 -0.75 0.00 0.00 64.21 62.28 1kpp n SER 143 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 1kpp n ARG 144 N 0.38 -2.75 0.00 -1.46 0.63 -1.26 -5.09 116.66 107.10 1kpp n ARG 144 Ca 0.51 2.31 0.00 0.00 -0.92 0.00 0.00 57.85 59.75 1kpp n ARG 144 Cb 0.43 -4.62 0.00 0.00 0.45 0.00 0.00 32.46 28.72 1kpp n ARG 144 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82