#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 0.14 0.17 0.00 0.24 -1.26 -4.85 118.33 112.77 1kpp n VAL 3 Ca 0.00 -1.17 0.05 0.00 -2.04 0.00 0.00 64.34 61.18 1kpp n VAL 3 Cb 0.00 1.01 0.23 0.00 -1.47 0.00 0.00 33.84 33.61 1kpp n VAL 3 CO 0.00 0.00 0.00 -1.28 -2.14 0.00 0.00 176.83 173.41 1kpp h SER 4 N 1.13 0.00 0.29 -1.34 0.87 -2.03 -1.78 113.55 110.70 1kpp h SER 4 Ca -0.24 0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 59.99 1kpp h SER 4 Cb 1.81 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.73 1kpp h SER 4 CO 0.09 0.42 -1.90 -1.84 -0.53 0.00 0.00 176.83 173.08 1kpp n GLU 5 N -3.41 0.69 0.03 2.24 0.00 -1.26 -3.04 120.64 115.89 1kpp n GLU 5 Ca 0.01 0.26 -0.09 0.00 0.00 0.00 0.00 57.16 57.33 1kpp n GLU 5 Cb 0.59 -1.73 0.05 0.00 0.00 0.00 0.00 31.44 30.35 1kpp n GLU 5 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.13 177.90 1kpp h SER 6 N 0.03 0.52 0.63 -1.84 0.02 -1.90 -3.08 113.55 107.93 1kpp h SER 6 Ca -0.37 -0.31 -0.20 0.00 -0.84 0.00 0.00 61.79 60.07 1kpp h SER 6 Cb 2.03 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 64.41 1kpp h SER 6 CO 0.07 1.02 -0.92 -0.61 -1.14 0.00 0.00 176.83 175.26 1kpp h GLN 7 N 0.33 0.18 0.00 3.45 5.75 -1.48 -3.13 115.11 120.22 1kpp h GLN 7 Ca -0.01 -0.21 -0.03 0.00 -0.15 0.00 0.00 58.65 58.25 1kpp h GLN 7 Cb 1.19 0.06 -0.00 0.00 1.07 0.00 0.00 27.48 29.80 1kpp h GLN 7 CO 0.11 0.97 -0.13 1.25 -2.65 0.00 0.00 178.83 178.39 1kpp h LEU 8 N 0.09 0.00 0.00 -2.39 5.85 -1.48 -2.06 115.31 115.32 1kpp h LEU 8 Ca -0.05 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.46 1kpp h LEU 8 Cb 1.56 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.56 1kpp h LEU 8 CO 0.14 0.13 -1.10 0.50 -0.34 0.00 0.00 178.44 177.77 1kpp h LYS 9 N 0.00 0.00 0.00 1.25 1.63 -1.51 -2.63 116.57 115.31 1kpp h LYS 9 Ca -0.00 0.00 -0.12 0.00 -0.85 0.00 0.00 60.65 59.68 1kpp h LYS 9 Cb 0.25 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.86 1kpp h LYS 9 CO 0.02 0.85 -0.55 -0.22 -3.45 0.00 0.00 179.45 176.09 1kpp h LYS 10 N 0.00 0.00 0.10 1.90 1.63 -1.34 -1.19 116.57 117.67 1kpp h LYS 10 Ca -0.06 0.00 -0.31 0.00 -0.85 0.00 0.00 60.65 59.43 1kpp h LYS 10 Cb 1.78 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 33.39 1kpp h LYS 10 CO 0.11 0.55 -1.59 0.00 -3.45 0.00 0.00 179.45 175.08 1kpp h MET 11 N 0.00 0.21 -0.58 1.90 -0.00 -1.47 -3.32 114.93 111.67 1kpp h MET 11 Ca -0.01 -0.35 0.00 0.00 -0.00 0.00 0.00 59.70 59.34 1kpp h MET 11 Cb 1.11 0.13 0.00 0.00 -0.00 0.00 0.00 31.60 32.84 1kpp h MET 11 CO 0.07 1.03 0.00 1.33 -0.00 0.00 0.00 176.91 179.35 1kpp n VAL 12 N -3.40 0.95 0.31 -0.10 0.24 -0.99 -4.29 118.33 111.06 1kpp n VAL 12 Ca -0.18 -0.79 0.18 0.00 -2.04 0.00 0.00 64.34 61.51 1kpp n VAL 12 Cb 1.04 0.26 1.03 0.00 -1.47 0.00 0.00 33.84 34.71 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 3.21 0.00 0.94 -1.34 0.87 -1.32 -0.75 113.55 115.16 1kpp h SER 13 Ca 0.00 0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 60.39 1kpp h SER 13 Cb 0.88 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.81 1kpp h SER 13 CO 0.06 0.00 -1.14 0.50 -0.53 0.00 0.00 176.83 175.72 1kpp h LYS 14 N 0.00 0.00 -6.57 2.24 3.64 -1.86 -3.47 116.57 110.55 1kpp h LYS 14 Ca 0.00 0.00 -0.59 0.00 -1.27 0.00 0.00 60.65 58.80 1kpp h LYS 14 Cb 0.02 0.00 0.08 0.00 -0.41 0.00 0.00 32.23 31.92 1kpp h LYS 14 CO -0.00 0.47 0.62 0.66 -2.27 0.00 0.00 179.45 178.93 1kpp n TYR 15 N -3.06 2.14 -0.01 1.91 4.02 -0.29 -4.91 117.16 116.95 1kpp n TYR 15 Ca -0.06 0.43 -0.13 0.00 -0.01 0.00 0.00 57.90 58.13 1kpp n TYR 15 Cb 0.85 -2.46 -0.09 0.00 -0.02 0.00 0.00 39.34 37.62 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 4.36 0.06 -3.13 -0.72 1.63 -1.86 -3.30 116.57 113.62 1kpp h LYS 16 Ca -0.45 -0.02 -0.76 0.00 -0.85 0.00 0.00 60.65 58.57 1kpp h LYS 16 Cb 1.28 -0.00 -0.15 0.00 -0.60 0.00 0.00 32.23 32.75 1kpp h LYS 16 CO 0.77 0.42 2.05 0.66 -3.45 0.00 0.00 179.45 179.90 1kpp n TYR 17 N -4.86 2.75 0.36 1.91 4.01 -1.26 -4.79 117.16 115.27 1kpp n TYR 17 Ca -0.08 -2.78 -0.18 0.00 -0.16 0.00 0.00 57.90 54.71 1kpp n TYR 17 Cb 0.21 -1.84 -0.09 0.00 -0.31 0.00 0.00 39.34 37.31 1kpp n TYR 17 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 1kpp h ARG 18 N 5.29 -1.04 -0.24 -0.72 9.65 -1.88 0.93 114.38 126.38 1kpp h ARG 18 Ca 0.49 0.07 0.06 0.00 -1.10 0.00 0.00 59.98 59.50 1kpp h ARG 18 Cb 0.51 0.24 -0.07 0.00 -1.39 0.00 0.00 29.97 29.25 1kpp h ARG 18 CO 1.55 -0.69 -0.25 -0.44 2.80 0.00 0.00 179.97 182.94 1kpp h ASP 19 N -1.07 -0.79 -0.72 -3.80 3.32 -1.94 0.86 116.42 112.28 1kpp h ASP 19 Ca -0.09 0.14 -0.04 0.00 0.02 0.00 0.00 57.03 57.07 1kpp h ASP 19 Cb 0.88 0.37 -0.03 0.00 0.22 0.00 0.00 39.33 40.77 1kpp h ASP 19 CO 0.05 -0.28 0.30 -0.07 -1.72 0.00 0.00 179.24 177.51 1kpp h LEU 20 N -0.26 0.98 -0.90 1.55 3.38 -1.93 0.57 115.31 118.70 1kpp h LEU 20 Ca 0.13 -0.16 -0.11 0.00 0.09 0.00 0.00 57.88 57.84 1kpp h LEU 20 Cb 0.46 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1kpp h LEU 20 CO -0.38 0.87 -0.33 0.74 0.09 0.00 0.00 178.44 179.43 1kpp h THR 21 N 1.02 1.28 0.04 0.22 2.02 0.18 -0.66 112.91 117.01 1kpp h THR 21 Ca 0.24 -1.39 -0.25 0.00 0.77 0.00 0.00 66.41 65.78 1kpp h THR 21 Cb 0.19 1.49 -0.02 0.00 -1.74 0.00 0.00 68.15 68.06 1kpp h THR 21 CO -0.02 0.43 -1.24 0.58 0.37 0.00 0.00 175.52 175.64 1kpp h VAL 22 N 0.36 1.45 -0.04 3.16 2.07 0.11 -2.98 116.25 120.39 1kpp h VAL 22 Ca 0.04 -3.15 -0.03 0.00 0.82 0.00 0.00 66.70 64.38 1kpp h VAL 22 Cb 0.75 2.78 0.00 0.00 -1.52 0.00 0.00 31.29 33.30 1kpp h VAL 22 CO 0.06 0.86 -0.10 -0.09 0.02 0.00 0.00 177.57 178.32 1kpp h ARG 23 N 0.02 0.13 -0.09 1.57 2.43 0.26 -1.90 114.38 116.81 1kpp h ARG 23 Ca -0.11 -0.10 -0.05 0.00 -0.81 0.00 0.00 59.98 58.91 1kpp h ARG 23 Cb 1.88 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 31.44 1kpp h ARG 23 CO 0.14 0.71 -0.17 0.93 -1.51 0.00 0.00 179.97 180.07 1kpp h GLU 24 N -0.42 0.14 0.00 0.20 5.08 -1.26 0.22 114.58 118.55 1kpp h GLU 24 Ca -0.00 -0.03 -0.14 0.00 -1.00 0.00 0.00 59.36 58.18 1kpp h GLU 24 Cb 0.72 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.93 1kpp h GLU 24 CO 0.02 0.32 -0.67 1.15 -1.00 0.00 0.00 179.01 178.83 1kpp h THR 25 N 0.13 1.28 0.04 1.13 2.02 -1.52 -3.13 112.91 112.87 1kpp h THR 25 Ca 0.03 -2.47 -0.18 0.00 0.77 0.00 0.00 66.41 64.55 1kpp h THR 25 Cb 0.38 2.41 -0.01 0.00 -1.74 0.00 0.00 68.15 69.19 1kpp h THR 25 CO 0.02 0.66 -0.97 1.62 0.37 0.00 0.00 175.52 177.23 1kpp h VAL 26 N 0.00 1.20 -0.40 3.16 3.04 -0.73 -2.94 116.25 119.58 1kpp h VAL 26 Ca -0.01 -2.30 0.12 0.00 -1.01 0.00 0.00 66.70 63.50 1kpp h VAL 26 Cb 1.36 2.72 -0.02 0.00 -2.01 0.00 0.00 31.29 33.34 1kpp h VAL 26 CO 0.09 0.53 0.32 0.78 -1.01 0.00 0.00 177.57 178.27 1kpp h ASN 27 N -0.76 0.00 0.00 3.17 4.21 -0.70 0.24 115.58 121.75 1kpp h ASN 27 Ca -0.24 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.26 1kpp h ASN 27 Cb 1.38 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 38.58 1kpp h ASN 27 CO -0.06 0.00 -0.34 0.58 -1.29 0.00 0.00 177.43 176.32 1kpp h VAL 28 N 0.00 0.14 -0.54 2.81 2.07 -1.67 -3.06 116.25 116.00 1kpp h VAL 28 Ca 0.19 -1.14 0.07 0.00 0.82 0.00 0.00 66.70 66.64 1kpp h VAL 28 Cb 0.82 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 1kpp h VAL 28 CO -0.00 0.05 0.36 0.16 0.02 0.00 0.00 177.57 178.16 1kpp h ILE 29 N -1.00 0.95 -0.01 4.57 3.07 -1.38 0.57 117.51 124.29 1kpp h ILE 29 Ca -0.02 -0.15 -0.19 0.00 1.55 0.00 0.00 64.86 66.04 1kpp h ILE 29 Cb 0.39 0.47 -0.01 0.00 -0.27 0.00 0.00 36.82 37.40 1kpp h ILE 29 CO -0.01 0.08 -0.83 0.00 -1.05 0.00 0.00 178.15 176.33 1kpp h THR 30 N 0.45 1.48 0.06 0.16 1.03 -0.69 0.88 112.91 116.29 1kpp h THR 30 Ca 0.24 -2.53 -0.28 0.00 -0.01 0.00 0.00 66.41 63.83 1kpp h THR 30 Cb 0.37 2.40 0.02 0.00 -1.07 0.00 0.00 68.15 69.87 1kpp h THR 30 CO -0.06 0.74 -1.14 -0.07 -0.01 0.00 0.00 175.52 174.98 1kpp h LEU 31 N 0.11 0.81 0.00 0.00 -0.00 -1.10 -3.34 115.31 111.79 1kpp h LEU 31 Ca -0.04 -0.70 -0.02 0.00 -0.00 0.00 0.00 57.88 57.12 1kpp h LEU 31 Cb 1.44 -0.25 -0.00 0.00 -0.00 0.00 0.00 40.66 41.85 1kpp h LEU 31 CO 0.13 1.51 -1.95 -1.22 -0.00 0.00 0.00 178.44 176.91 1kpp n TYR 32 N -3.79 0.07 0.00 1.13 4.01 0.07 -4.97 117.16 113.68 1kpp n TYR 32 Ca -0.11 0.02 0.00 0.00 -0.16 0.00 0.00 57.90 57.65 1kpp n TYR 32 Cb 0.93 -0.56 0.00 0.00 -0.31 0.00 0.00 39.34 39.40 1kpp n TYR 32 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1kpp n LYS 33 N -2.32 0.00 -0.38 -0.72 5.02 0.31 -4.38 118.16 115.69 1kpp n LYS 33 Ca -0.05 0.00 0.30 0.00 -2.02 0.00 0.00 58.31 56.54 1kpp n LYS 33 Cb 0.60 0.00 0.59 0.00 -0.02 0.00 0.00 35.03 36.20 1kpp n LYS 33 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 1kpp h ASP 34 N 0.00 0.33 -3.07 4.39 5.19 -1.86 -3.40 116.42 117.99 1kpp h ASP 34 Ca 0.00 0.10 -0.53 0.00 -0.62 0.00 0.00 57.03 55.99 1kpp h ASP 34 Cb 0.00 0.07 0.06 0.00 0.18 0.00 0.00 39.33 39.63 1kpp h ASP 34 CO 0.00 -0.04 0.86 -0.76 -3.12 0.00 0.00 179.24 176.18 1kpp s LEU 35 N -9.50 4.37 -0.13 1.55 2.01 -1.26 -4.45 118.68 111.27 1kpp s LEU 35 Ca -0.08 2.73 -0.01 0.00 0.01 0.00 0.00 54.13 56.78 1kpp s LEU 35 Cb 0.27 -3.61 0.03 0.00 0.01 0.00 0.00 46.19 42.89 1kpp s LEU 35 CO 0.81 -0.82 -0.06 -0.54 1.01 0.00 0.00 176.35 176.75 1kpp s LYS 36 N 0.37 1.40 0.37 1.70 -0.14 0.16 -4.73 119.74 118.87 1kpp s LYS 36 Ca 0.66 -0.33 -0.27 0.00 -1.36 0.00 0.00 55.97 54.67 1kpp s LYS 36 Cb -0.45 -1.71 -0.11 0.00 -1.68 0.00 0.00 37.83 33.88 1kpp s LYS 36 CO 0.38 -0.34 1.32 -2.30 -0.76 0.00 0.00 175.35 173.65 1kpp n PRO 37 N 4.94 2.17 -4.29 -1.68 -0.02 -1.26 -1.89 135.00 132.96 1kpp n PRO 37 Ca -0.12 0.76 -0.16 0.00 -2.02 0.00 0.00 63.50 61.97 1kpp n PRO 37 Cb 0.49 -2.40 -0.10 0.00 -0.02 0.00 0.00 33.50 31.47 1kpp n PRO 37 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1kpp s VAL 38 N -1.13 1.11 -0.35 -1.45 1.01 0.30 -4.84 120.40 115.05 1kpp s VAL 38 Ca 0.56 -2.05 -0.00 0.00 0.00 0.00 0.00 61.98 60.49 1kpp s VAL 38 Cb -0.54 -2.10 0.12 0.00 0.00 0.00 0.00 36.38 33.86 1kpp s VAL 38 CO 0.61 -0.53 0.16 -0.22 0.00 0.00 0.00 175.10 175.12 1kpp s LEU 39 N -3.24 2.00 -0.23 3.92 1.98 -1.26 0.61 118.68 122.46 1kpp s LEU 39 Ca 0.23 -2.00 -0.03 0.00 -2.89 0.00 0.00 54.13 49.43 1kpp s LEU 39 Cb 0.04 -0.79 0.00 0.00 0.66 0.00 0.00 46.19 46.11 1kpp s LEU 39 CO 0.05 -0.35 -0.05 -1.81 -1.89 0.00 0.00 176.35 172.29 1kpp s ASP 40 N 1.18 4.23 0.43 3.68 1.01 -0.48 -4.92 116.67 121.80 1kpp s ASP 40 Ca 0.14 -0.55 -0.24 0.00 0.71 0.00 0.00 52.55 52.61 1kpp s ASP 40 Cb -0.20 -1.70 -0.08 0.00 1.01 0.00 0.00 42.92 41.94 1kpp s ASP 40 CO -0.14 -0.05 1.14 -0.44 0.21 0.00 0.00 175.17 175.89 1kpp s SER 41 N 1.43 6.41 -0.19 0.27 0.01 -1.26 -3.10 113.70 117.26 1kpp s SER 41 Ca 0.04 2.27 -0.00 0.00 1.31 0.00 0.00 55.95 59.57 1kpp s SER 41 Cb -0.15 -2.60 0.01 0.00 0.21 0.00 0.00 66.02 63.49 1kpp s SER 41 CO -0.04 -0.75 -0.15 -0.47 0.41 0.00 0.00 173.24 172.23 1kpp s TYR 42 N -1.52 2.83 0.38 2.43 6.14 0.12 -4.87 117.35 122.87 1kpp s TYR 42 Ca 0.60 -1.45 -0.14 0.00 0.64 0.00 0.00 57.07 56.73 1kpp s TYR 42 Cb -0.28 -1.97 -0.08 0.00 0.42 0.00 0.00 41.96 40.05 1kpp s TYR 42 CO 0.35 -0.73 0.79 0.14 0.64 0.00 0.00 175.55 176.73 1kpp s VAL 43 N 1.34 4.69 -0.27 3.14 -7.23 -1.26 -0.87 120.40 119.94 1kpp s VAL 43 Ca 0.05 0.88 0.03 0.00 -1.81 0.00 0.00 61.98 61.12 1kpp s VAL 43 Cb -0.13 -3.67 0.07 0.00 0.56 0.00 0.00 36.38 33.20 1kpp s VAL 43 CO -0.10 -0.38 -0.07 0.72 -0.31 0.00 0.00 175.10 174.96 1kpp s PHE 44 N -2.22 3.19 -0.63 2.82 -0.71 -0.99 -4.74 117.98 114.70 1kpp s PHE 44 Ca 0.54 -2.35 0.00 0.00 -1.04 0.00 0.00 56.93 54.08 1kpp s PHE 44 Cb -0.10 -2.05 0.00 0.00 -1.21 0.00 0.00 43.02 39.66 1kpp s PHE 44 CO 0.24 -0.88 0.00 0.27 -1.34 0.00 0.00 175.22 173.52 1kpp n ASN 45 N 4.44 -2.70 -0.75 1.98 6.94 -1.26 0.12 115.26 124.04 1kpp n ASN 45 Ca -0.10 0.32 -0.10 0.00 -0.02 0.00 0.00 54.58 54.68 1kpp n ASN 45 Cb 0.42 -2.36 -0.04 0.00 -2.36 0.00 0.00 39.78 35.44 1kpp n ASN 45 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 1kpp n ASP 46 N -1.62 -5.17 0.06 0.53 2.03 -1.26 -4.83 116.55 106.28 1kpp n ASP 46 Ca -0.09 0.24 0.12 0.00 0.52 0.00 0.00 54.79 55.59 1kpp n ASP 46 Cb 0.56 -3.53 0.25 0.00 -0.72 0.00 0.00 41.12 37.68 1kpp n ASP 46 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1kpp n GLY 47 N -0.46 -1.45 0.00 0.27 0.00 0.32 -5.01 105.19 98.86 1kpp n GLY 47 Ca -0.10 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.01 0.00 -3.73 1.61 7.64 -1.24 -4.98 113.62 110.91 1kpp n SER 48 Ca 0.04 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.80 1kpp n SER 48 Cb 0.42 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.49 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 -4.00 -0.29 -0.17 6.43 1.04 -1.26 -2.35 113.70 113.11 1kpp s SER 49 Ca 0.00 0.56 -0.03 0.00 0.48 0.00 0.00 55.95 56.95 1kpp s SER 49 Cb 0.00 0.46 -0.02 0.00 0.10 0.00 0.00 66.02 66.55 1kpp s SER 49 CO 0.00 -0.16 -0.05 -0.13 0.98 0.00 0.00 173.24 173.88 1kpp s ARG 50 N 1.14 3.59 -0.64 4.02 1.81 -0.05 -4.87 118.95 123.94 1kpp s ARG 50 Ca -0.08 -0.56 -0.27 0.00 -1.72 0.00 0.00 55.73 53.10 1kpp s ARG 50 Cb -0.09 -2.91 0.00 0.00 -0.45 0.00 0.00 34.95 31.50 1kpp s ARG 50 CO -0.08 0.15 1.58 -1.83 -0.68 0.00 0.00 175.30 174.44 1kpp s GLU 51 N 0.59 2.96 -0.08 3.54 -1.05 -1.26 0.12 118.70 123.51 1kpp s GLU 51 Ca -0.03 0.30 -0.01 0.00 -0.15 0.00 0.00 54.97 55.08 1kpp s GLU 51 Cb -0.15 -4.27 -0.03 0.00 -0.44 0.00 0.00 34.13 29.25 1kpp s GLU 51 CO 0.03 -2.37 -0.03 -0.51 0.95 0.00 0.00 175.26 173.32 1kpp s LEU 52 N 7.33 3.37 0.33 1.83 2.01 -1.18 -4.93 118.68 127.43 1kpp s LEU 52 Ca 0.53 0.05 -0.17 0.00 0.01 0.00 0.00 54.13 54.55 1kpp s LEU 52 Cb -0.11 -1.76 -0.09 0.00 0.01 0.00 0.00 46.19 44.24 1kpp s LEU 52 CO 0.20 0.35 0.77 -0.32 1.01 0.00 0.00 176.35 178.36 1kpp s MET 53 N -0.73 4.08 -0.18 1.70 -2.45 -1.26 -1.38 119.30 119.07 1kpp s MET 53 Ca 0.11 0.77 -0.05 0.00 -1.25 0.00 0.00 55.69 55.27 1kpp s MET 53 Cb -0.11 -2.46 0.09 0.00 1.25 0.00 0.00 34.83 33.60 1kpp s MET 53 CO 0.02 0.16 0.35 0.54 1.05 0.00 0.00 175.02 177.14 1kpp s ASN 54 N -2.17 0.10 -0.51 1.11 4.22 0.20 -2.88 114.94 115.01 1kpp s ASN 54 Ca 0.54 0.68 -0.25 0.00 -2.14 0.00 0.00 52.86 51.68 1kpp s ASN 54 Cb -0.11 1.06 0.03 0.00 1.28 0.00 0.00 41.25 43.51 1kpp s ASN 54 CO 0.17 -0.25 0.95 -0.76 -2.04 0.00 0.00 177.10 175.17 1kpp s LEU 55 N 2.53 4.01 0.09 3.54 1.43 -0.75 0.11 118.68 129.64 1kpp s LEU 55 Ca 0.02 -0.12 0.05 0.00 -1.03 0.00 0.00 54.13 53.05 1kpp s LEU 55 Cb -0.13 -3.01 -0.04 0.00 0.03 0.00 0.00 46.19 43.04 1kpp s LEU 55 CO -0.12 -1.17 0.00 -0.89 0.23 0.00 0.00 176.35 174.41 1kpp s THR 56 N 3.93 4.06 0.00 5.49 2.01 -0.79 -1.34 115.64 129.00 1kpp s THR 56 Ca 0.34 -0.96 0.00 0.00 0.31 0.00 0.00 61.69 61.39 1kpp s THR 56 Cb -0.11 -2.93 0.00 0.00 0.01 0.00 0.00 72.50 69.47 1kpp s THR 56 CO 0.23 0.13 0.00 0.61 -0.69 0.00 0.00 174.62 174.90 1kpp n GLY 57 N 0.60 2.21 3.43 4.40 0.00 -1.20 0.37 105.19 114.99 1kpp n GLY 57 Ca -0.11 -0.96 -0.36 0.00 0.00 0.00 0.00 46.02 44.60 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 -2.00 4.13 -0.23 2.61 -4.23 -1.26 -2.29 115.64 112.37 1kpp s THR 58 Ca 0.00 -0.24 -0.11 0.00 -1.18 0.00 0.00 61.69 60.17 1kpp s THR 58 Cb 0.00 -2.92 -0.05 0.00 1.34 0.00 0.00 72.50 70.87 1kpp s THR 58 CO 0.00 0.36 0.16 0.27 -0.54 0.00 0.00 174.62 174.88 1kpp s ILE 59 N 1.51 5.37 0.06 2.99 -4.36 -1.22 -4.70 121.20 120.85 1kpp s ILE 59 Ca 0.06 0.21 -0.35 0.00 -0.26 0.00 0.00 60.65 60.31 1kpp s ILE 59 Cb -0.15 -3.50 -0.14 0.00 1.25 0.00 0.00 42.46 39.92 1kpp s ILE 59 CO 0.02 0.37 1.65 -2.65 0.24 0.00 0.00 174.94 174.57 1kpp n PRO 60 N 4.09 2.00 -4.35 0.37 -0.02 -1.26 -3.44 135.00 132.39 1kpp n PRO 60 Ca -0.15 0.72 -0.20 0.00 -2.02 0.00 0.00 63.50 61.86 1kpp n PRO 60 Cb 0.52 -2.50 -0.15 0.00 -0.02 0.00 0.00 33.50 31.35 1kpp n PRO 60 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1kpp s VAL 61 N 1.92 0.72 0.66 -1.45 0.11 -1.11 -4.88 120.40 116.39 1kpp s VAL 61 Ca 0.84 -0.34 -0.17 0.00 -2.93 0.00 0.00 61.98 59.38 1kpp s VAL 61 Cb -0.73 -0.64 -0.01 0.00 -1.53 0.00 0.00 36.38 33.47 1kpp s VAL 61 CO 0.44 0.22 1.15 -2.65 -3.33 0.00 0.00 175.10 170.94 1kpp n PRO 62 N 3.21 0.88 -3.20 1.54 -0.02 -1.26 0.91 135.00 137.06 1kpp n PRO 62 Ca -0.17 0.35 0.04 0.00 -2.02 0.00 0.00 63.50 61.70 1kpp n PRO 62 Cb 0.55 -2.38 -0.03 0.00 -0.02 0.00 0.00 33.50 31.61 1kpp n PRO 62 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1kpp s TYR 63 N -1.55 -0.23 -1.86 6.00 5.04 0.28 -4.70 117.35 120.33 1kpp s TYR 63 Ca 0.79 0.34 0.00 0.00 -2.44 0.00 0.00 57.07 55.76 1kpp s TYR 63 Cb -0.37 0.12 0.00 0.00 0.35 0.00 0.00 41.96 42.05 1kpp s TYR 63 CO 0.44 -0.12 0.00 0.54 -1.34 0.00 0.00 175.55 175.07 1kpp n ARG 64 N 4.95 -1.61 -0.54 4.97 1.74 -1.26 -0.40 116.66 124.52 1kpp n ARG 64 Ca -0.08 1.04 0.00 0.00 -0.77 0.00 0.00 57.85 58.05 1kpp n ARG 64 Cb 0.55 -5.55 0.00 0.00 -1.02 0.00 0.00 32.46 26.43 1kpp n ARG 64 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1kpp n GLY 65 N -0.68 0.76 3.62 -0.13 0.00 -1.26 -5.04 105.19 102.46 1kpp n GLY 65 Ca -0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.52 1kpp n GLY 65 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1kpp s ASN 66 N -2.68 3.42 -0.15 1.61 2.47 0.47 -5.12 114.94 114.95 1kpp s ASN 66 Ca 0.00 -1.62 -0.06 0.00 0.42 0.00 0.00 52.86 51.60 1kpp s ASN 66 Cb 0.00 0.40 -0.04 0.00 -1.45 0.00 0.00 41.25 40.16 1kpp s ASN 66 CO 0.00 -0.83 0.07 -0.89 -3.72 0.00 0.00 177.10 171.73 1kpp s THR 67 N -3.03 4.88 0.00 -5.21 2.01 -1.26 1.00 115.64 114.02 1kpp s THR 67 Ca 0.18 -0.01 0.00 0.00 0.31 0.00 0.00 61.69 62.17 1kpp s THR 67 Cb 0.03 -3.16 0.00 0.00 0.01 0.00 0.00 72.50 69.38 1kpp s THR 67 CO 0.10 0.52 0.00 0.00 -0.69 0.00 0.00 174.62 174.55 1kpp n TYR 68 N 2.95 -0.78 -3.46 4.92 9.36 0.26 -4.85 117.16 125.56 1kpp n TYR 68 Ca -0.18 0.00 -0.23 0.00 3.32 0.00 0.00 57.90 60.81 1kpp n TYR 68 Cb 0.53 0.00 -0.12 0.00 -0.63 0.00 0.00 39.34 39.12 1kpp n TYR 68 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1kpp s ASN 69 N -0.52 2.54 -0.51 2.98 4.22 -1.26 -2.74 114.94 119.65 1kpp s ASN 69 Ca 0.00 -1.21 -0.15 0.00 -2.14 0.00 0.00 52.86 49.36 1kpp s ASN 69 Cb 0.00 0.06 0.11 0.00 1.28 0.00 0.00 41.25 42.70 1kpp s ASN 69 CO 0.00 -0.39 0.44 -0.63 -2.04 0.00 0.00 177.10 174.48 1kpp s ILE 70 N 2.03 5.08 0.21 0.54 -1.09 -1.22 -4.89 121.20 121.86 1kpp s ILE 70 Ca 0.11 -1.39 -0.30 0.00 -2.23 0.00 0.00 60.65 56.84 1kpp s ILE 70 Cb -0.16 -4.19 -0.08 0.00 -1.58 0.00 0.00 42.46 36.45 1kpp s ILE 70 CO -0.28 -0.76 1.17 -2.16 -1.23 0.00 0.00 174.94 171.68 1kpp s PRO 71 N 1.58 4.53 0.22 2.79 0.04 -1.26 -3.43 135.00 139.47 1kpp s PRO 71 Ca 0.04 1.85 0.01 0.00 0.04 0.00 0.00 61.00 62.94 1kpp s PRO 71 Cb -0.28 -3.23 -0.05 0.00 0.04 0.00 0.00 34.50 30.98 1kpp s PRO 71 CO 0.04 -0.01 0.06 0.96 0.04 0.00 0.00 177.00 178.09 1kpp s ILE 72 N -0.33 0.58 -0.24 0.56 -4.36 -0.97 -3.09 121.20 113.36 1kpp s ILE 72 Ca 0.51 -1.99 -0.00 0.00 -0.26 0.00 0.00 60.65 58.90 1kpp s ILE 72 Cb -0.32 -2.43 0.07 0.00 1.25 0.00 0.00 42.46 41.02 1kpp s ILE 72 CO 0.38 -0.18 -0.02 0.00 0.24 0.00 0.00 174.94 175.36 1kpp s LEU 74 N 1.49 4.04 0.37 0.00 1.43 -0.45 -0.12 118.68 125.45 1kpp s LEU 74 Ca -0.03 -0.95 -0.24 0.00 -1.03 0.00 0.00 54.13 51.89 1kpp s LEU 74 Cb -0.18 -2.47 -0.10 0.00 0.03 0.00 0.00 46.19 43.47 1kpp s LEU 74 CO -0.08 -1.53 0.95 0.26 0.23 0.00 0.00 176.35 176.18 1kpp s TRP 75 N 4.49 3.50 0.35 0.29 0.23 0.21 -1.81 118.94 126.19 1kpp s TRP 75 Ca 0.28 1.70 0.04 0.00 -2.03 0.00 0.00 56.10 56.09 1kpp s TRP 75 Cb -0.12 -2.91 -0.06 0.00 0.03 0.00 0.00 33.47 30.41 1kpp s TRP 75 CO 0.09 0.02 0.06 -0.51 0.96 0.00 0.00 176.95 177.56 1kpp s LEU 76 N -2.58 2.26 0.15 2.99 2.01 -1.14 -1.68 118.68 120.69 1kpp s LEU 76 Ca 0.56 -1.41 -0.02 0.00 0.01 0.00 0.00 54.13 53.26 1kpp s LEU 76 Cb -0.15 -0.44 -0.03 0.00 0.01 0.00 0.00 46.19 45.58 1kpp s LEU 76 CO 0.19 -0.62 0.11 -1.48 1.01 0.00 0.00 176.35 175.57 1kpp s LEU 77 N -3.54 1.51 0.01 1.79 -0.00 -1.26 -4.75 118.68 112.44 1kpp s LEU 77 Ca 0.34 -1.18 -0.13 0.00 -0.00 0.00 0.00 54.13 53.17 1kpp s LEU 77 Cb 0.08 0.48 -0.33 0.00 -0.00 0.00 0.00 46.19 46.42 1kpp s LEU 77 CO 0.15 -0.78 0.91 -0.78 -0.00 0.00 0.00 176.35 175.85 1kpp h ASP 78 N 2.76 0.72 0.00 1.48 3.58 -1.98 -3.46 116.42 119.52 1kpp h ASP 78 Ca -0.34 -0.86 0.00 0.00 0.42 0.00 0.00 57.03 56.25 1kpp h ASP 78 Cb 1.21 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 42.03 1kpp h ASP 78 CO 0.56 1.69 0.00 0.41 -2.88 0.00 0.00 179.24 179.02 1kpp n THR 79 N -3.65 0.00 -3.02 2.25 -1.04 -1.26 -3.32 114.28 104.24 1kpp n THR 79 Ca -0.18 0.00 -0.24 0.00 -2.04 0.00 0.00 64.05 61.59 1kpp n THR 79 Cb 1.09 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 69.60 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 -1.39 3.31 -0.01 -1.42 1.51 -1.26 -4.05 117.35 114.03 1kpp s TYR 80 Ca 0.00 0.32 -0.15 0.00 -1.01 0.00 0.00 57.07 56.23 1kpp s TYR 80 Cb 0.00 -2.23 -0.08 0.00 -0.11 0.00 0.00 41.96 39.54 1kpp s TYR 80 CO 0.00 -0.26 0.74 -1.35 -1.11 0.00 0.00 175.55 173.57 1kpp h PRO 81 N 0.44 -0.51 0.00 -1.71 0.11 -1.99 -3.44 132.00 124.90 1kpp h PRO 81 Ca -0.47 0.03 -0.14 0.00 0.11 0.00 0.00 66.00 65.54 1kpp h PRO 81 Cb 1.24 0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.45 1kpp h PRO 81 CO 0.59 -0.34 -1.30 0.66 -0.21 0.00 0.00 178.00 177.39 1kpp n TYR 82 N -4.41 0.00 0.00 0.65 4.01 -1.26 -5.07 117.16 111.08 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 0.21 -0.52 0.00 0.00 -0.31 0.00 0.00 39.34 38.72 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 -4.11 0.00 -4.64 7.72 6.94 -1.26 -4.99 115.26 114.92 1kpp n ASN 83 Ca -0.22 0.00 -0.42 0.00 -0.02 0.00 0.00 54.58 53.91 1kpp n ASN 83 Cb 0.55 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 37.94 1kpp n ASN 83 CO 0.00 0.00 0.00 -2.84 -1.03 0.00 0.00 177.26 173.39 1kpp s PRO 84 N 0.00 3.86 0.97 -0.53 0.02 -1.26 -4.86 135.00 133.20 1kpp s PRO 84 Ca 0.00 2.31 -0.12 0.00 0.02 0.00 0.00 61.00 63.21 1kpp s PRO 84 Cb 0.00 -4.18 0.17 0.00 0.02 0.00 0.00 34.50 30.51 1kpp s PRO 84 CO 0.00 -1.26 1.09 -1.25 -0.33 0.00 0.00 177.00 175.24 1kpp s PRO 85 N 4.90 0.65 0.32 5.54 0.04 -1.26 -4.98 135.00 140.20 1kpp s PRO 85 Ca 0.88 0.75 0.07 0.00 0.04 0.00 0.00 61.00 62.74 1kpp s PRO 85 Cb -0.37 -1.74 -0.02 0.00 0.04 0.00 0.00 34.50 32.40 1kpp s PRO 85 CO 0.37 -2.64 0.33 0.42 0.04 0.00 0.00 177.00 175.53 1kpp s ILE 86 N -2.87 3.94 -0.40 0.56 1.09 -0.67 -4.91 121.20 117.94 1kpp s ILE 86 Ca 0.65 -1.24 0.11 0.00 -1.10 0.00 0.00 60.65 59.07 1kpp s ILE 86 Cb -0.19 -3.33 0.41 0.00 -1.06 0.00 0.00 42.46 38.29 1kpp s ILE 86 CO 0.58 -0.21 0.95 0.00 -0.10 0.00 0.00 174.94 176.16 1kpp n PHE 88 N -0.13 1.81 -2.77 0.00 3.01 0.83 -4.30 117.46 115.91 1kpp n PHE 88 Ca 0.24 0.55 -0.42 0.00 1.01 0.00 0.00 57.45 58.83 1kpp n PHE 88 Cb 0.68 -2.41 -0.03 0.00 -0.01 0.00 0.00 39.48 37.71 1kpp n PHE 88 CO 0.00 0.00 0.00 0.14 1.01 0.00 0.00 176.76 177.91 1kpp s VAL 89 N 1.95 4.86 -0.46 -4.37 -7.23 -0.74 0.15 120.40 114.56 1kpp s VAL 89 Ca 0.90 1.90 0.03 0.00 -1.81 0.00 0.00 61.98 63.00 1kpp s VAL 89 Cb -0.98 -4.25 0.13 0.00 0.56 0.00 0.00 36.38 31.84 1kpp s VAL 89 CO 0.55 0.08 0.24 -0.75 -0.31 0.00 0.00 175.10 174.91 1kpp s LYS 90 N 1.60 1.45 0.00 4.82 2.20 -1.18 -4.63 119.74 124.00 1kpp s LYS 90 Ca 0.46 -2.16 0.00 0.00 -0.36 0.00 0.00 55.97 53.92 1kpp s LYS 90 Cb -0.19 -2.57 0.00 0.00 -1.51 0.00 0.00 37.83 33.57 1kpp s LYS 90 CO 0.20 -1.15 0.00 -2.30 -0.36 0.00 0.00 175.35 171.74 1kpp n PRO 91 N 3.43 1.16 -4.49 4.03 -0.02 -1.26 -4.60 135.00 133.25 1kpp n PRO 91 Ca 0.08 0.00 -0.24 0.00 -2.02 0.00 0.00 63.50 61.32 1kpp n PRO 91 Cb 0.34 0.00 -0.09 0.00 -0.02 0.00 0.00 33.50 33.73 1kpp n PRO 91 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1kpp s THR 92 N 0.00 0.91 0.29 3.45 -4.23 -1.26 -4.98 115.64 109.82 1kpp s THR 92 Ca 0.00 -2.00 0.22 0.00 -1.18 0.00 0.00 61.69 58.73 1kpp s THR 92 Cb 0.00 -2.56 0.21 0.00 1.34 0.00 0.00 72.50 71.49 1kpp s THR 92 CO 0.00 0.00 1.90 -1.28 -0.54 0.00 0.00 174.62 174.70 1kpp h SER 93 N 1.93 0.00 0.64 3.99 0.87 -2.00 -2.64 113.55 116.34 1kpp h SER 93 Ca -0.39 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.06 1kpp h SER 93 Cb 1.26 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.20 1kpp h SER 93 CO 0.64 0.24 -0.54 0.28 -0.53 0.00 0.00 176.83 176.92 1kpp h SER 94 N 0.00 0.00 -2.47 6.23 0.02 -2.01 -3.46 113.55 111.86 1kpp h SER 94 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1kpp h SER 94 Cb 0.61 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.15 1kpp h SER 94 CO 0.03 0.54 0.00 0.23 -1.14 0.00 0.00 176.83 176.50 1kpp n MET 95 N -3.78 1.39 -0.54 3.45 2.00 -1.00 -4.96 117.12 113.68 1kpp n MET 95 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.69 1kpp n MET 95 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.79 1kpp n MET 95 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 175.97 173.60 1kpp n THR 96 N 0.00 0.00 -3.97 2.03 5.66 -1.26 -4.39 114.28 112.35 1kpp n THR 96 Ca 0.00 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.69 1kpp n THR 96 Cb 0.00 0.00 -0.15 0.00 -1.55 0.00 0.00 70.33 68.63 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 -0.89 1.90 -0.67 1.09 2.07 -1.26 -3.98 121.20 119.46 1kpp s ILE 97 Ca 0.00 -1.82 -0.27 0.00 -1.41 0.00 0.00 60.65 57.15 1kpp s ILE 97 Cb 0.00 -2.27 0.04 0.00 0.13 0.00 0.00 42.46 40.36 1kpp s ILE 97 CO 0.00 -0.38 1.19 -0.75 -1.91 0.00 0.00 174.94 173.09 1kpp s LYS 98 N 1.15 3.29 0.40 3.50 2.20 0.28 -4.96 119.74 125.60 1kpp s LYS 98 Ca 0.03 -0.17 -0.27 0.00 -0.36 0.00 0.00 55.97 55.21 1kpp s LYS 98 Cb -0.19 -4.13 -0.10 0.00 -1.51 0.00 0.00 37.83 31.90 1kpp s LYS 98 CO -0.09 -1.92 1.35 0.25 -0.36 0.00 0.00 175.35 174.57 1kpp n THR 99 N 6.40 2.33 0.00 3.43 -2.24 -1.25 -4.74 114.28 118.20 1kpp n THR 99 Ca 0.04 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 1kpp n THR 99 Cb 0.48 -1.70 0.00 0.00 -2.10 0.00 0.00 70.33 67.02 1kpp n THR 99 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1kpp n GLY 100 N 0.69 1.05 0.04 3.38 0.00 -1.26 -4.90 105.19 104.19 1kpp n GLY 100 Ca 0.05 0.04 -0.04 0.00 0.00 0.00 0.00 46.02 46.07 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 0.27 -0.03 1.61 5.02 -1.26 -4.72 118.16 119.05 1kpp n LYS 101 Ca 0.00 0.23 0.01 0.00 -2.02 0.00 0.00 58.31 56.53 1kpp n LYS 101 Cb 0.00 -1.11 -0.10 0.00 -0.02 0.00 0.00 35.03 33.79 1kpp n LYS 101 CO 0.00 0.00 0.00 -2.39 -0.52 0.00 0.00 177.40 174.49 1kpp n HIS 102 N -3.56 0.00 0.09 2.13 1.44 -1.26 -4.48 115.22 109.58 1kpp n HIS 102 Ca -0.06 0.00 0.19 0.00 -2.01 0.00 0.00 57.72 55.83 1kpp n HIS 102 Cb 0.23 -0.45 0.74 0.00 0.12 0.00 0.00 29.99 30.63 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 0.60 -0.36 0.61 2.07 -1.87 0.75 116.25 118.05 1kpp h VAL 103 Ca -0.15 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.37 1kpp h VAL 103 Cb 1.13 0.76 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 0.47 0.02 0.00 0.00 177.57 178.07 1kpp n ASP 104 N -4.09 -1.09 -0.01 0.57 9.92 -1.26 -3.53 116.55 117.06 1kpp n ASP 104 Ca 0.06 0.00 0.08 0.00 -0.53 0.00 0.00 54.79 54.40 1kpp n ASP 104 Cb 0.50 0.00 -0.14 0.00 -0.64 0.00 0.00 41.12 40.84 1kpp n ASP 104 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1kpp n ALA 105 N 0.43 2.60 -0.55 2.24 0.00 -1.26 -3.87 120.51 120.10 1kpp n ALA 105 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 52.98 1kpp n ALA 105 Cb 0.00 -0.58 0.28 0.00 0.00 0.00 0.00 19.45 19.15 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 -2.14 4.49 -3.92 0.00 2.85 -1.26 -4.91 115.26 110.37 1kpp n ASN 106 Ca -0.05 -2.85 -0.28 0.00 -0.11 0.00 0.00 54.58 51.29 1kpp n ASN 106 Cb 0.49 -0.67 0.01 0.00 1.24 0.00 0.00 39.78 40.85 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 0.21 -0.39 2.86 8.20 0.00 -1.23 -4.94 105.19 109.90 1kpp n GLY 107 Ca 0.27 0.16 -0.30 0.00 0.00 0.00 0.00 46.02 46.16 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 -6.50 1.65 -0.46 1.61 2.20 -1.24 -1.79 119.74 115.21 1kpp s LYS 108 Ca 0.40 -2.30 -0.37 0.00 -0.36 0.00 0.00 55.97 53.33 1kpp s LYS 108 Cb -0.20 -2.90 -0.15 0.00 -1.51 0.00 0.00 37.83 33.07 1kpp s LYS 108 CO 0.85 -1.12 2.23 0.44 -0.36 0.00 0.00 175.35 177.40 1kpp n ILE 109 N 3.39 0.10 -0.78 5.43 -6.64 -1.20 -4.58 119.36 115.08 1kpp n ILE 109 Ca 0.06 -0.18 -0.20 0.00 -1.77 0.00 0.00 62.75 60.67 1kpp n ILE 109 Cb 0.34 -1.22 0.13 0.00 -1.44 0.00 0.00 39.64 37.45 1kpp n ILE 109 CO 0.00 0.00 0.00 -1.22 -1.77 0.00 0.00 176.55 173.56 1kpp n TYR 110 N 9.42 2.42 -1.45 4.28 4.02 0.25 -4.81 117.16 131.28 1kpp n TYR 110 Ca 0.48 -1.65 -0.48 0.00 -0.01 0.00 0.00 57.90 56.25 1kpp n TYR 110 Cb 0.14 -0.84 -0.08 0.00 -0.02 0.00 0.00 39.34 38.54 1kpp n TYR 110 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1kpp n LEU 111 N -0.75 1.67 0.15 7.72 4.77 -1.26 -4.76 117.00 124.53 1kpp n LEU 111 Ca 0.47 0.25 0.11 0.00 -0.03 0.00 0.00 56.01 56.81 1kpp n LEU 111 Cb 1.35 -1.21 0.54 0.00 -2.33 0.00 0.00 43.42 41.77 1kpp n LEU 111 CO 0.49 -0.87 0.84 -2.65 -1.33 0.00 0.00 177.39 173.87 1kpp n PRO 112 N 8.31 0.16 0.00 3.23 -0.02 -1.26 -3.38 135.00 142.04 1kpp n PRO 112 Ca 0.47 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.49 1kpp n PRO 112 Cb 0.21 -1.92 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 1kpp n PRO 112 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1kpp n TYR 113 N -2.25 0.00 0.33 6.00 4.02 -1.26 -2.02 117.16 121.98 1kpp n TYR 113 Ca 0.00 0.00 0.22 0.00 -0.01 0.00 0.00 57.90 58.11 1kpp n TYR 113 Cb 0.12 -0.44 1.15 0.00 -0.02 0.00 0.00 39.34 40.15 1kpp n TYR 113 CO 0.00 0.00 0.00 1.37 -1.01 0.00 0.00 176.86 177.22 1kpp h LEU 114 N 0.00 0.00 -0.25 7.72 -0.00 -1.94 -1.94 115.31 118.90 1kpp h LEU 114 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.86 1kpp h LEU 114 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.65 1kpp h LEU 114 CO 0.00 0.00 0.06 -0.74 -0.00 0.00 0.00 178.44 177.76 1kpp h HIS 115 N 0.00 0.42 -0.73 0.17 2.76 -1.51 -2.89 115.15 113.35 1kpp h HIS 115 Ca 0.00 -0.05 -0.30 0.00 -2.20 0.00 0.00 60.37 57.82 1kpp h HIS 115 Cb 0.03 -0.12 -0.18 0.00 1.55 0.00 0.00 27.41 28.70 1kpp h HIS 115 CO 0.00 0.49 0.33 -1.91 -1.30 0.00 0.00 177.93 175.54 1kpp n GLU 116 N -4.72 2.87 -3.67 5.26 2.13 -0.79 -4.96 120.64 116.76 1kpp n GLU 116 Ca -0.03 -3.07 -0.37 0.00 0.66 0.00 0.00 57.16 54.35 1kpp n GLU 116 Cb 0.18 -2.12 -0.06 0.00 0.27 0.00 0.00 31.44 29.71 1kpp n GLU 116 CO 0.00 0.00 0.00 -0.46 -0.41 0.00 0.00 177.13 176.26 1kpp s TRP 117 N -3.13 3.59 -0.03 4.31 -0.11 -0.83 -5.05 118.94 117.69 1kpp s TRP 117 Ca 0.53 0.67 0.06 0.00 1.22 0.00 0.00 56.10 58.58 1kpp s TRP 117 Cb 0.44 -2.16 -0.01 0.00 -1.50 0.00 0.00 33.47 30.24 1kpp s TRP 117 CO 0.10 0.56 -0.20 -1.59 -4.62 0.00 0.00 176.95 171.20 1kpp s LYS 118 N -0.58 1.76 1.03 5.86 0.00 -1.26 -4.95 119.74 121.60 1kpp s LYS 118 Ca 0.18 -0.71 -0.17 0.00 0.00 0.00 0.00 55.97 55.27 1kpp s LYS 118 Cb -0.14 -1.63 0.09 0.00 0.00 0.00 0.00 37.83 36.16 1kpp s LYS 118 CO 0.06 0.37 -0.07 -2.39 0.00 0.00 0.00 175.35 173.33 1kpp n HIS 119 N 2.78 -1.83 -0.32 1.78 -0.00 -1.26 -4.04 115.22 112.34 1kpp n HIS 119 Ca -0.16 0.16 -0.14 0.00 -0.00 0.00 0.00 57.72 57.58 1kpp n HIS 119 Cb 0.53 -1.45 0.08 0.00 -0.00 0.00 0.00 29.99 29.16 1kpp n HIS 119 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 1kpp n PRO 120 N -1.18 1.70 0.00 -1.40 -0.04 -1.26 -4.80 135.00 128.02 1kpp n PRO 120 Ca 0.03 -1.60 0.04 0.00 -0.04 0.00 0.00 63.50 61.93 1kpp n PRO 120 Cb 0.50 -1.63 0.03 0.00 -0.04 0.00 0.00 33.50 32.36 1kpp n PRO 120 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1kpp n GLN 121 N -0.24 0.27 -3.17 0.54 -0.06 -1.26 -4.97 117.38 108.50 1kpp n GLN 121 Ca 0.32 -0.93 -0.40 0.00 -2.00 0.00 0.00 57.00 53.98 1kpp n GLN 121 Cb 1.01 -1.14 -0.07 0.00 -4.06 0.00 0.00 30.24 25.98 1kpp n GLN 121 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 1kpp s SER 122 N -0.70 6.54 0.04 1.69 0.15 -1.26 -4.62 113.70 115.55 1kpp s SER 122 Ca 0.09 0.66 -0.26 0.00 0.70 0.00 0.00 55.95 57.13 1kpp s SER 122 Cb 0.07 -2.31 0.09 0.00 -1.71 0.00 0.00 66.02 62.15 1kpp s SER 122 CO 0.11 -0.31 1.21 1.51 1.20 0.00 0.00 173.24 176.96 1kpp s ASP 123 N 1.42 0.01 0.49 5.45 1.47 -1.26 -4.82 116.67 119.43 1kpp s ASP 123 Ca 0.25 -0.35 0.14 0.00 1.18 0.00 0.00 52.55 53.77 1kpp s ASP 123 Cb -0.16 0.25 1.16 0.00 -0.34 0.00 0.00 42.92 43.83 1kpp s ASP 123 CO 0.09 -0.50 2.11 -0.07 0.68 0.00 0.00 175.17 177.49 1kpp h LEU 124 N 2.00 0.14 -0.19 2.11 3.38 -1.95 0.65 115.31 121.45 1kpp h LEU 124 Ca -0.23 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 1kpp h LEU 124 Cb 1.19 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 1kpp h LEU 124 CO 0.33 0.10 0.07 0.25 0.09 0.00 0.00 178.44 179.28 1kpp h LEU 125 N 0.16 0.27 0.19 1.67 5.85 -1.95 -2.58 115.31 118.92 1kpp h LEU 125 Ca 0.06 -0.17 -0.33 0.00 0.84 0.00 0.00 57.88 58.28 1kpp h LEU 125 Cb 0.04 -0.07 0.02 0.00 0.37 0.00 0.00 40.66 41.02 1kpp h LEU 125 CO -0.01 0.36 -1.60 1.23 -0.34 0.00 0.00 178.44 178.08 1kpp h GLY 126 N 0.15 0.47 0.96 3.75 0.00 -1.69 -3.02 103.07 103.70 1kpp h GLY 126 Ca 0.06 -1.20 0.13 0.00 0.00 0.00 0.00 47.33 46.32 1kpp h GLY 126 CO -0.00 1.05 0.40 -2.00 0.00 0.00 0.00 176.54 175.98 1kpp h LEU 127 N 0.04 0.00 0.00 3.11 6.46 0.24 0.14 115.31 125.30 1kpp h LEU 127 Ca -0.31 0.00 -0.25 0.00 -0.12 0.00 0.00 57.88 57.20 1kpp h LEU 127 Cb 2.05 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 41.94 1kpp h LEU 127 CO 0.19 0.00 -1.63 -0.38 -0.62 0.00 0.00 178.44 175.99 1kpp n ILE 128 N -3.98 1.46 -0.02 4.05 5.41 -0.97 -3.97 119.36 121.34 1kpp n ILE 128 Ca 0.08 -0.76 0.10 0.00 1.00 0.00 0.00 62.75 63.17 1kpp n ILE 128 Cb 0.59 -0.92 0.51 0.00 -0.71 0.00 0.00 39.64 39.11 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 0.00 0.36 -0.47 0.38 4.15 -0.58 -0.43 115.11 118.51 1kpp h GLN 129 Ca -0.25 -0.02 0.01 0.00 0.77 0.00 0.00 58.65 59.15 1kpp h GLN 129 Cb 1.87 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 29.46 1kpp h GLN 129 CO 0.07 0.23 0.31 -0.24 -1.93 0.00 0.00 178.83 177.27 1kpp h VAL 130 N 0.37 1.11 -0.36 2.39 3.04 -1.61 -2.14 116.25 119.05 1kpp h VAL 130 Ca 0.22 -0.22 -0.15 0.00 -1.01 0.00 0.00 66.70 65.54 1kpp h VAL 130 Cb 0.38 0.43 -0.01 0.00 -2.01 0.00 0.00 31.29 30.08 1kpp h VAL 130 CO -0.05 0.11 -0.38 0.24 -1.01 0.00 0.00 177.57 176.49 1kpp h MET 131 N 0.63 0.89 -0.34 4.17 2.86 -1.43 -0.45 114.93 121.26 1kpp h MET 131 Ca 0.18 -0.48 0.10 0.00 -2.06 0.00 0.00 59.70 57.44 1kpp h MET 131 Cb -0.06 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.61 1kpp h MET 131 CO -0.05 1.12 0.34 0.82 1.06 0.00 0.00 176.91 180.21 1kpp h ILE 132 N 0.69 0.46 0.00 -1.22 2.04 -0.71 1.02 117.51 119.78 1kpp h ILE 132 Ca 0.05 0.00 -0.16 0.00 1.00 0.00 0.00 64.86 65.76 1kpp h ILE 132 Cb 0.97 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 37.75 1kpp h ILE 132 CO 0.09 0.00 -1.11 0.52 0.00 0.00 0.00 178.15 177.65 1kpp n VAL 133 N -3.83 1.49 -0.11 1.67 0.31 -0.84 -2.63 118.33 114.40 1kpp n VAL 133 Ca 0.05 0.04 -0.06 0.00 -0.01 0.00 0.00 64.34 64.36 1kpp n VAL 133 Cb 0.51 -2.18 0.02 0.00 -0.91 0.00 0.00 33.84 31.28 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 0.87 0.00 2.52 2.07 -0.69 -0.82 116.25 119.19 1kpp h VAL 134 Ca -0.24 -0.08 -0.09 0.00 0.82 0.00 0.00 66.70 67.11 1kpp h VAL 134 Cb 1.03 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 1kpp h VAL 134 CO -0.14 0.04 -0.42 -0.26 0.02 0.00 0.00 177.57 176.81 1kpp h PHE 135 N 0.24 0.00 0.00 1.57 -1.00 0.86 -2.31 116.94 116.30 1kpp h PHE 135 Ca 0.17 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.95 1kpp h PHE 135 Cb 0.16 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.72 1kpp h PHE 135 CO -0.16 0.42 0.00 0.78 -1.61 0.00 0.00 178.31 177.74 1kpp h GLY 136 N 1.89 0.00 0.00 -1.45 0.00 -0.92 -2.97 103.07 99.62 1kpp h GLY 136 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.00 1kpp h GLY 136 CO 0.05 0.00 -2.19 1.34 0.00 0.00 0.00 176.54 175.74 1kpp n ASP 137 N -2.43 2.16 -3.32 0.19 2.03 -0.91 -4.65 116.55 109.61 1kpp n ASP 137 Ca 0.01 -0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.19 1kpp n ASP 137 Cb 0.20 -0.42 -0.06 0.00 -0.72 0.00 0.00 41.12 40.12 1kpp n ASP 137 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1kpp s GLU 138 N -2.41 0.68 0.15 -0.67 2.02 -0.90 -5.04 118.70 112.53 1kpp s GLU 138 Ca -0.29 -0.69 -0.34 0.00 0.02 0.00 0.00 54.97 53.67 1kpp s GLU 138 Cb 0.08 -0.52 -0.13 0.00 0.10 0.00 0.00 34.13 33.66 1kpp s GLU 138 CO 0.45 -1.19 1.62 -0.35 0.02 0.00 0.00 175.26 175.81 1kpp n PRO 139 N 4.31 2.24 0.31 0.39 -0.04 -1.13 -4.57 135.00 136.51 1kpp n PRO 139 Ca 0.11 0.81 0.20 0.00 -0.04 0.00 0.00 63.50 64.58 1kpp n PRO 139 Cb 0.48 -2.60 1.06 0.00 -0.04 0.00 0.00 33.50 32.40 1kpp n PRO 139 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 1kpp h PRO 140 N 6.30 0.00 -7.14 0.54 0.11 -1.89 -3.42 132.00 126.50 1kpp h PRO 140 Ca -0.45 0.00 -0.48 0.00 0.11 0.00 0.00 66.00 65.18 1kpp h PRO 140 Cb 1.25 0.00 0.04 0.00 0.11 0.00 0.00 31.00 32.40 1kpp h PRO 140 CO 0.90 0.00 0.38 0.08 -0.21 0.00 0.00 178.00 179.15 1kpp s VAL 141 N -4.03 3.86 0.00 3.15 1.01 -1.26 0.10 120.40 123.23 1kpp s VAL 141 Ca -0.04 1.00 0.00 0.00 0.00 0.00 0.00 61.98 62.94 1kpp s VAL 141 Cb 0.11 -3.44 0.00 0.00 0.00 0.00 0.00 36.38 33.05 1kpp s VAL 141 CO 0.35 -0.40 0.00 0.33 0.00 0.00 0.00 175.10 175.38 1kpp n PHE 142 N -1.51 0.00 -2.84 5.22 7.35 -1.26 -4.84 117.46 119.59 1kpp n PHE 142 Ca 0.09 0.00 -0.21 0.00 -0.76 0.00 0.00 57.45 56.57 1kpp n PHE 142 Cb 0.53 0.00 0.01 0.00 0.35 0.00 0.00 39.48 40.37 1kpp n PHE 142 CO 0.00 0.00 0.00 -1.13 -0.76 0.00 0.00 176.76 174.87 1kpp n SER 143 N -0.15 -5.47 -1.54 -2.13 3.41 -1.26 -4.44 113.62 102.04 1kpp n SER 143 Ca 0.00 -0.17 0.06 0.00 -0.26 0.00 0.00 58.87 58.50 1kpp n SER 143 Cb 0.00 -4.48 -0.03 0.00 -0.26 0.00 0.00 64.21 59.43 1kpp n SER 143 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1kpp n ARG 144 N -3.58 -3.89 0.00 4.33 1.74 -1.26 -4.89 116.66 109.11 1kpp n ARG 144 Ca -0.14 3.07 0.09 0.00 -0.77 0.00 0.00 57.85 60.10 1kpp n ARG 144 Cb 0.63 -4.01 0.53 0.00 -1.02 0.00 0.00 32.46 28.59 1kpp n ARG 144 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76