#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 2.96 -1.85 0.00 0.24 -1.26 -4.76 118.33 113.66 1kpp n VAL 3 Ca 0.00 -2.43 -0.15 0.00 -2.04 0.00 0.00 64.34 59.72 1kpp n VAL 3 Cb 0.00 -2.49 0.10 0.00 -1.47 0.00 0.00 33.84 29.98 1kpp n VAL 3 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1kpp n SER 4 N 6.17 0.31 -0.14 -1.34 3.41 -1.26 -4.88 113.62 115.89 1kpp n SER 4 Ca 0.53 -1.41 0.04 0.00 -0.26 0.00 0.00 58.87 57.77 1kpp n SER 4 Cb 0.36 -0.50 0.34 0.00 -0.26 0.00 0.00 64.21 64.15 1kpp n SER 4 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1kpp h GLU 5 N 0.00 0.76 -0.49 4.33 4.81 -2.00 -2.19 114.58 119.80 1kpp h GLU 5 Ca -0.23 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 58.96 1kpp h GLU 5 Cb 0.68 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.87 1kpp h GLU 5 CO 0.18 0.50 0.30 0.77 -0.73 0.00 0.00 179.01 180.04 1kpp h SER 6 N 0.78 0.59 -0.15 1.04 0.02 -1.94 -1.91 113.55 111.98 1kpp h SER 6 Ca 0.25 -0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 61.13 1kpp h SER 6 Cb 0.04 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 1kpp h SER 6 CO -0.07 0.46 0.03 -0.61 -1.14 0.00 0.00 176.83 175.51 1kpp h GLN 7 N 0.66 0.32 0.00 3.45 -0.00 -1.70 -1.37 115.11 116.47 1kpp h GLN 7 Ca 0.18 -0.04 -0.07 0.00 -0.00 0.00 0.00 58.65 58.71 1kpp h GLN 7 Cb -0.02 -0.06 -0.01 0.00 0.00 0.00 0.00 27.48 27.39 1kpp h GLN 7 CO -0.03 0.32 -0.34 1.25 0.00 0.00 0.00 178.83 180.03 1kpp h LEU 8 N 0.32 0.00 -0.33 -2.39 5.85 -1.05 -2.95 115.31 114.77 1kpp h LEU 8 Ca 0.08 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.71 1kpp h LEU 8 Cb 0.16 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 1kpp h LEU 8 CO -0.00 0.34 -0.39 0.11 -0.34 0.00 0.00 178.44 178.15 1kpp h LYS 9 N 0.00 0.00 0.00 1.25 1.57 -0.51 -2.27 116.57 116.61 1kpp h LYS 9 Ca -0.00 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 1kpp h LYS 9 Cb 0.91 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.21 1kpp h LYS 9 CO 0.04 0.39 -0.53 1.57 -0.57 0.00 0.00 179.45 180.36 1kpp h LYS 10 N 0.00 0.00 0.05 3.15 2.10 -1.33 -2.43 116.57 118.11 1kpp h LYS 10 Ca -0.00 0.00 -0.32 0.00 -2.00 0.00 0.00 60.65 58.33 1kpp h LYS 10 Cb 1.18 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.47 1kpp h LYS 10 CO 0.05 0.22 -1.81 0.00 -2.00 0.00 0.00 179.45 175.91 1kpp h MET 11 N 0.00 0.11 -0.01 0.07 -0.00 -1.51 -3.35 114.93 110.24 1kpp h MET 11 Ca -0.02 -0.19 0.00 0.00 -0.00 0.00 0.00 59.70 59.49 1kpp h MET 11 Cb 1.22 0.07 0.00 0.00 -0.00 0.00 0.00 31.60 32.89 1kpp h MET 11 CO 0.03 0.79 -0.10 1.33 -0.00 0.00 0.00 176.91 178.96 1kpp n VAL 12 N -3.23 0.00 0.12 -0.10 0.24 -0.86 -3.99 118.33 110.52 1kpp n VAL 12 Ca -0.23 -0.23 -0.01 0.00 -2.04 0.00 0.00 64.34 61.83 1kpp n VAL 12 Cb 1.05 0.58 0.23 0.00 -1.47 0.00 0.00 33.84 34.23 1kpp n VAL 12 CO 0.00 0.00 0.00 -1.28 -2.14 0.00 0.00 176.83 173.41 1kpp h SER 13 N 2.17 0.14 0.84 -1.34 0.87 -1.57 -2.74 113.55 111.93 1kpp h SER 13 Ca 0.00 -0.06 -0.08 0.00 -1.23 0.00 0.00 61.79 60.41 1kpp h SER 13 Cb 0.55 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.46 1kpp h SER 13 CO 0.00 0.59 -0.39 0.50 -0.53 0.00 0.00 176.83 177.00 1kpp h LYS 14 N 0.11 0.00 -6.91 2.24 3.64 -1.79 -3.45 116.57 110.40 1kpp h LYS 14 Ca 0.01 0.00 -0.45 0.00 -1.27 0.00 0.00 60.65 58.94 1kpp h LYS 14 Cb 0.87 0.00 0.23 0.00 -0.41 0.00 0.00 32.23 32.92 1kpp h LYS 14 CO 0.07 0.39 -0.52 0.66 -2.27 0.00 0.00 179.45 177.78 1kpp n TYR 15 N -3.55 -1.34 -0.02 1.91 4.02 -1.04 -4.96 117.16 112.19 1kpp n TYR 15 Ca -0.00 -0.01 -0.19 0.00 -0.01 0.00 0.00 57.90 57.68 1kpp n TYR 15 Cb 0.52 -1.64 -0.14 0.00 -0.02 0.00 0.00 39.34 38.06 1kpp n TYR 15 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 1kpp n LYS 16 N -3.57 0.73 -3.32 -0.72 3.00 -0.28 -4.57 118.16 109.42 1kpp n LYS 16 Ca 0.02 0.24 -0.27 0.00 -0.00 0.00 0.00 58.31 58.31 1kpp n LYS 16 Cb 0.58 -1.69 -0.07 0.00 0.00 0.00 0.00 35.03 33.85 1kpp n LYS 16 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1kpp n TYR 17 N -3.39 3.27 -0.08 5.64 4.01 -1.25 -4.89 117.16 120.47 1kpp n TYR 17 Ca -0.32 -4.07 0.06 0.00 -0.16 0.00 0.00 57.90 53.40 1kpp n TYR 17 Cb 1.04 -0.53 0.40 0.00 -0.31 0.00 0.00 39.34 39.95 1kpp n TYR 17 CO 0.00 0.00 0.00 0.07 -0.46 0.00 0.00 176.86 176.47 1kpp h ARG 18 N 3.95 0.60 -0.35 -0.72 -0.00 -1.81 0.40 114.38 116.46 1kpp h ARG 18 Ca 0.17 -0.04 0.00 0.00 -0.00 0.00 0.00 59.98 60.12 1kpp h ARG 18 Cb 0.66 -0.14 -0.02 0.00 -0.00 0.00 0.00 29.97 30.48 1kpp h ARG 18 CO 0.79 0.40 0.22 -0.44 -0.00 0.00 0.00 179.97 180.94 1kpp h ASP 19 N 0.62 0.41 0.68 0.08 3.32 -1.93 0.77 116.42 120.37 1kpp h ASP 19 Ca 0.22 -0.04 -0.23 0.00 0.02 0.00 0.00 57.03 57.01 1kpp h ASP 19 Cb 0.11 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1kpp h ASP 19 CO -0.06 0.32 -1.04 0.25 -1.72 0.00 0.00 179.24 177.00 1kpp h LEU 20 N 0.46 0.27 -0.06 1.55 6.46 -1.81 -2.00 115.31 120.19 1kpp h LEU 20 Ca 0.13 -0.26 -0.03 0.00 -0.12 0.00 0.00 57.88 57.59 1kpp h LEU 20 Cb -0.02 -0.09 -0.00 0.00 -0.73 0.00 0.00 40.66 39.82 1kpp h LEU 20 CO -0.03 1.14 -0.09 0.74 -0.62 0.00 0.00 178.44 179.58 1kpp h THR 21 N 0.08 1.41 0.00 1.05 2.02 0.01 -1.19 112.91 116.29 1kpp h THR 21 Ca -0.07 -1.36 -0.09 0.00 0.77 0.00 0.00 66.41 65.66 1kpp h THR 21 Cb 1.74 2.18 -0.01 0.00 -1.74 0.00 0.00 68.15 70.31 1kpp h THR 21 CO 0.16 0.37 -0.41 0.58 0.37 0.00 0.00 175.52 176.59 1kpp h VAL 22 N -0.32 1.03 -0.01 3.16 2.07 0.45 -2.78 116.25 119.85 1kpp h VAL 22 Ca 0.00 -1.56 -0.04 0.00 0.82 0.00 0.00 66.70 65.92 1kpp h VAL 22 Cb 0.65 1.91 0.00 0.00 -1.52 0.00 0.00 31.29 32.34 1kpp h VAL 22 CO 0.02 0.40 -0.15 -0.09 0.02 0.00 0.00 177.57 177.77 1kpp h ARG 23 N 0.00 0.12 -0.78 1.57 9.65 -1.35 -2.89 114.38 120.71 1kpp h ARG 23 Ca -0.00 -0.12 0.03 0.00 -1.10 0.00 0.00 59.98 58.79 1kpp h ARG 23 Cb 0.88 0.03 -0.05 0.00 -1.39 0.00 0.00 29.97 29.44 1kpp h ARG 23 CO 0.05 0.84 0.49 1.49 2.80 0.00 0.00 179.97 185.65 1kpp h GLU 24 N -0.56 0.93 0.90 0.20 4.57 -1.22 -2.27 114.58 117.12 1kpp h GLU 24 Ca -0.02 -0.06 -0.04 0.00 -1.18 0.00 0.00 59.36 58.06 1kpp h GLU 24 Cb 0.89 -0.21 0.01 0.00 -0.16 0.00 0.00 28.75 29.27 1kpp h GLU 24 CO 0.03 0.62 -0.44 1.15 -1.18 0.00 0.00 179.01 179.19 1kpp h THR 25 N 0.96 0.10 -0.78 0.32 2.02 -1.57 -2.86 112.91 111.11 1kpp h THR 25 Ca 0.31 0.00 0.18 0.00 0.77 0.00 0.00 66.41 67.67 1kpp h THR 25 Cb 0.01 0.10 -0.13 0.00 -1.74 0.00 0.00 68.15 66.39 1kpp h THR 25 CO -0.11 0.00 0.10 1.62 0.37 0.00 0.00 175.52 177.49 1kpp h VAL 26 N -1.22 0.37 -0.04 3.16 3.04 -1.38 0.86 116.25 121.06 1kpp h VAL 26 Ca -0.12 -0.06 0.01 0.00 -1.01 0.00 0.00 66.70 65.52 1kpp h VAL 26 Cb 0.94 0.19 -0.00 0.00 -2.01 0.00 0.00 31.29 30.41 1kpp h VAL 26 CO 0.20 0.03 0.08 -1.13 -1.01 0.00 0.00 177.57 175.74 1kpp h ASN 27 N 0.16 0.00 0.60 3.17 -0.73 -1.26 0.30 115.58 117.82 1kpp h ASN 27 Ca 0.45 0.00 -0.08 0.00 1.87 0.00 0.00 56.30 58.54 1kpp h ASN 27 Cb 0.81 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.39 1kpp h ASN 27 CO -0.63 0.00 -1.47 0.52 -0.37 0.00 0.00 177.43 175.48 1kpp n VAL 28 N -3.38 0.71 -0.00 2.57 0.31 0.29 -3.25 118.33 115.57 1kpp n VAL 28 Ca -0.02 -0.61 -0.05 0.00 -0.01 0.00 0.00 64.34 63.66 1kpp n VAL 28 Cb 0.16 -0.39 -0.12 0.00 -0.91 0.00 0.00 33.84 32.59 1kpp n VAL 28 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1kpp n ILE 29 N -2.65 1.39 0.09 2.52 5.41 -0.14 -3.30 119.36 122.68 1kpp n ILE 29 Ca -0.06 -0.75 -0.22 0.00 1.00 0.00 0.00 62.75 62.71 1kpp n ILE 29 Cb 0.69 -0.85 -0.15 0.00 -0.71 0.00 0.00 39.64 38.61 1kpp n ILE 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1kpp h THR 30 N 0.00 1.39 0.00 1.39 1.03 -0.66 -3.30 112.91 112.76 1kpp h THR 30 Ca -0.25 -2.60 -0.04 0.00 -0.01 0.00 0.00 66.41 63.52 1kpp h THR 30 Cb 1.83 3.11 -0.01 0.00 -1.07 0.00 0.00 68.15 72.02 1kpp h THR 30 CO 0.06 0.76 -0.20 0.25 -0.01 0.00 0.00 175.52 176.38 1kpp h LEU 31 N -0.15 0.00 -9.43 0.00 6.46 -1.73 -3.44 115.31 107.02 1kpp h LEU 31 Ca -0.20 0.00 -0.59 0.00 -0.12 0.00 0.00 57.88 56.97 1kpp h LEU 31 Cb 1.87 0.00 -0.12 0.00 -0.73 0.00 0.00 40.66 41.68 1kpp h LEU 31 CO 0.20 0.20 -0.68 -0.31 -0.62 0.00 0.00 178.44 177.22 1kpp s TYR 32 N -3.69 2.48 -0.53 1.25 2.02 -1.21 -5.09 117.35 112.59 1kpp s TYR 32 Ca 0.00 -0.34 0.04 0.00 -0.37 0.00 0.00 57.07 56.41 1kpp s TYR 32 Cb 0.10 -1.21 0.17 0.00 -0.40 0.00 0.00 41.96 40.62 1kpp s TYR 32 CO 0.63 0.62 0.39 0.15 -1.57 0.00 0.00 175.55 175.77 1kpp s LYS 33 N -3.62 1.55 0.00 -0.62 3.01 -1.26 -4.69 119.74 114.11 1kpp s LYS 33 Ca 0.32 -2.59 0.00 0.00 -1.01 0.00 0.00 55.97 52.69 1kpp s LYS 33 Cb -0.04 -2.28 0.00 0.00 -1.01 0.00 0.00 37.83 34.50 1kpp s LYS 33 CO 0.18 -1.33 0.00 -0.25 0.51 0.00 0.00 175.35 174.46 1kpp n ASP 34 N 2.55 0.00 -4.75 2.83 9.92 -1.26 -5.02 116.55 120.83 1kpp n ASP 34 Ca 0.24 0.00 -0.41 0.00 -0.53 0.00 0.00 54.79 54.09 1kpp n ASP 34 Cb 0.42 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 40.88 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 0.00 4.36 -0.26 0.64 1.02 -1.26 -4.45 118.68 118.72 1kpp s LEU 35 Ca 0.00 2.83 0.00 0.00 0.02 0.00 0.00 54.13 56.98 1kpp s LEU 35 Cb 0.00 -3.63 0.08 0.00 0.02 0.00 0.00 46.19 42.66 1kpp s LEU 35 CO 0.00 -0.83 0.01 -0.54 0.02 0.00 0.00 176.35 175.01 1kpp s LYS 36 N -0.35 1.24 0.59 1.70 -0.14 0.12 -4.96 119.74 117.95 1kpp s LYS 36 Ca 0.62 -1.07 -0.18 0.00 -1.36 0.00 0.00 55.97 53.99 1kpp s LYS 36 Cb -0.45 -2.46 -0.07 0.00 -1.68 0.00 0.00 37.83 33.16 1kpp s LYS 36 CO 0.45 -0.75 0.61 -2.30 -0.76 0.00 0.00 175.35 172.60 1kpp n PRO 37 N 4.70 0.56 -3.76 -1.68 -0.02 -1.26 -2.69 135.00 130.85 1kpp n PRO 37 Ca -0.07 0.22 -0.10 0.00 -2.02 0.00 0.00 63.50 61.54 1kpp n PRO 37 Cb 0.44 -1.81 -0.05 0.00 -0.02 0.00 0.00 33.50 32.06 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 -1.70 0.08 -0.14 -1.45 1.01 0.17 -4.87 120.40 113.50 1kpp s VAL 38 Ca 0.70 -0.89 -0.01 0.00 0.00 0.00 0.00 61.98 61.78 1kpp s VAL 38 Cb -0.43 -1.40 0.04 0.00 0.00 0.00 0.00 36.38 34.58 1kpp s VAL 38 CO 0.53 -0.35 -0.05 -0.22 0.00 0.00 0.00 175.10 175.01 1kpp s LEU 39 N -2.86 1.38 -0.14 3.92 1.98 -1.26 -1.95 118.68 119.75 1kpp s LEU 39 Ca 0.07 -0.51 -0.09 0.00 -2.89 0.00 0.00 54.13 50.71 1kpp s LEU 39 Cb 0.02 -0.85 0.05 0.00 0.66 0.00 0.00 46.19 46.07 1kpp s LEU 39 CO -0.08 -0.17 0.34 1.51 -1.89 0.00 0.00 176.35 176.07 1kpp s ASP 40 N 1.69 -0.40 0.50 3.68 -4.77 -0.41 -4.99 116.67 111.98 1kpp s ASP 40 Ca 0.02 0.73 -0.09 0.00 -3.30 0.00 0.00 52.55 49.91 1kpp s ASP 40 Cb -0.14 0.65 -0.05 0.00 -1.09 0.00 0.00 42.92 42.29 1kpp s ASP 40 CO -0.08 -0.16 0.86 -0.55 0.70 0.00 0.00 175.17 175.94 1kpp s SER 41 N 1.01 6.36 0.04 2.11 0.15 -1.26 -3.02 113.70 119.09 1kpp s SER 41 Ca -0.07 1.17 0.02 0.00 0.70 0.00 0.00 55.95 57.78 1kpp s SER 41 Cb -0.07 -2.35 -0.02 0.00 -1.71 0.00 0.00 66.02 61.86 1kpp s SER 41 CO -0.08 -0.61 -0.08 -0.47 1.20 0.00 0.00 173.24 173.20 1kpp s TYR 42 N -2.74 0.71 -0.01 3.44 5.04 0.07 -4.88 117.35 118.98 1kpp s TYR 42 Ca 0.52 -0.46 0.05 0.00 -2.44 0.00 0.00 57.07 54.73 1kpp s TYR 42 Cb -0.10 -0.42 -0.01 0.00 0.35 0.00 0.00 41.96 41.77 1kpp s TYR 42 CO 0.42 -0.06 -0.18 0.54 -1.34 0.00 0.00 175.55 174.93 1kpp s VAL 43 N -1.27 1.38 0.59 3.14 0.11 -1.26 -0.50 120.40 122.59 1kpp s VAL 43 Ca -0.08 -0.76 -0.00 0.00 -2.93 0.00 0.00 61.98 58.21 1kpp s VAL 43 Cb -0.09 -1.15 0.04 0.00 -1.53 0.00 0.00 36.38 33.65 1kpp s VAL 43 CO 0.01 0.38 0.84 -0.36 -3.33 0.00 0.00 175.10 172.64 1kpp s PHE 44 N -0.42 2.79 -1.68 1.54 0.08 -1.10 -4.98 117.98 114.20 1kpp s PHE 44 Ca 0.07 0.06 0.30 0.00 0.12 0.00 0.00 56.93 57.48 1kpp s PHE 44 Cb -0.07 -2.86 1.64 0.00 -0.57 0.00 0.00 43.02 41.16 1kpp s PHE 44 CO -0.01 -1.03 2.08 0.09 -0.10 0.00 0.00 175.22 176.25 1kpp n ASN 45 N -2.49 0.00 0.01 1.36 4.13 -1.26 -3.17 115.26 113.83 1kpp n ASN 45 Ca 0.08 -0.50 -0.08 0.00 1.68 0.00 0.00 54.58 55.76 1kpp n ASN 45 Cb 0.60 -0.16 -0.13 0.00 -1.54 0.00 0.00 39.78 38.55 1kpp n ASN 45 CO 0.00 0.00 0.00 0.44 0.28 0.00 0.00 177.26 177.98 1kpp h ASP 46 N 0.00 0.01 0.00 6.41 5.19 -2.06 -3.48 116.42 122.49 1kpp h ASP 46 Ca 0.00 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 1kpp h ASP 46 Cb 0.15 -0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.66 1kpp h ASP 46 CO 0.00 1.01 0.00 0.61 -3.12 0.00 0.00 179.24 177.74 1kpp n GLY 47 N 1.49 1.10 3.69 2.75 0.00 -1.19 -5.10 105.19 107.92 1kpp n GLY 47 Ca -0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 1kpp n GLY 47 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1kpp s SER 48 N -0.78 7.01 0.00 1.61 0.01 -1.26 -4.85 113.70 115.44 1kpp s SER 48 Ca 0.00 1.23 0.00 0.00 1.31 0.00 0.00 55.95 58.49 1kpp s SER 48 Cb 0.00 -2.45 0.00 0.00 0.21 0.00 0.00 66.02 63.78 1kpp s SER 48 CO 0.00 -0.29 0.00 -1.54 0.41 0.00 0.00 173.24 171.82 1kpp n SER 49 N 4.62 0.18 -3.60 2.44 3.41 -1.26 -2.73 113.62 116.68 1kpp n SER 49 Ca 0.03 -0.80 0.01 0.00 -0.26 0.00 0.00 58.87 57.85 1kpp n SER 49 Cb 0.50 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.39 1kpp n SER 49 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1kpp s ARG 50 N -1.04 0.14 -0.50 4.33 1.70 0.34 -4.94 118.95 118.99 1kpp s ARG 50 Ca 0.00 0.26 -0.24 0.00 -0.47 0.00 0.00 55.73 55.28 1kpp s ARG 50 Cb 0.00 0.05 0.03 0.00 -0.57 0.00 0.00 34.95 34.46 1kpp s ARG 50 CO 0.00 -0.03 0.88 -1.21 -1.08 0.00 0.00 175.30 173.86 1kpp s GLU 51 N 1.25 3.40 0.49 3.89 2.02 -1.26 -0.75 118.70 127.73 1kpp s GLU 51 Ca -0.08 -0.12 0.02 0.00 0.02 0.00 0.00 54.97 54.81 1kpp s GLU 51 Cb -0.03 -3.99 -0.01 0.00 0.10 0.00 0.00 34.13 30.20 1kpp s GLU 51 CO -0.12 -1.30 0.04 -0.51 0.02 0.00 0.00 175.26 173.40 1kpp s LEU 52 N 3.66 2.17 0.02 1.80 2.01 -1.17 -4.94 118.68 122.24 1kpp s LEU 52 Ca 0.31 -1.69 0.02 0.00 0.01 0.00 0.00 54.13 52.79 1kpp s LEU 52 Cb -0.12 -0.52 -0.02 0.00 0.01 0.00 0.00 46.19 45.55 1kpp s LEU 52 CO 0.22 -0.91 -0.07 0.00 1.01 0.00 0.00 176.35 176.60 1kpp s MET 53 N -3.82 0.50 0.10 1.70 0.00 -1.26 -1.28 119.30 115.23 1kpp s MET 53 Ca 0.10 -0.52 0.05 0.00 0.00 0.00 0.00 55.69 55.32 1kpp s MET 53 Cb 0.01 -0.36 -0.03 0.00 0.00 0.00 0.00 34.83 34.45 1kpp s MET 53 CO 0.06 0.08 -0.13 0.54 0.00 0.00 0.00 175.02 175.57 1kpp s ASN 54 N -0.96 1.78 -0.43 -1.18 4.22 -0.83 -2.91 114.94 114.64 1kpp s ASN 54 Ca -0.05 -0.74 -0.07 0.00 -2.14 0.00 0.00 52.86 49.86 1kpp s ASN 54 Cb -0.07 -0.05 0.10 0.00 1.28 0.00 0.00 41.25 42.52 1kpp s ASN 54 CO 0.00 -0.14 0.27 -0.76 -2.04 0.00 0.00 177.10 174.43 1kpp s LEU 55 N -2.20 5.34 0.00 3.54 1.43 -1.02 -0.66 118.68 125.12 1kpp s LEU 55 Ca 0.04 -1.80 -0.24 0.00 -1.03 0.00 0.00 54.13 51.10 1kpp s LEU 55 Cb -0.06 -1.94 -0.05 0.00 0.03 0.00 0.00 46.19 44.17 1kpp s LEU 55 CO 0.02 -0.59 0.74 -0.89 0.23 0.00 0.00 176.35 175.86 1kpp s THR 56 N 1.31 4.86 0.05 5.49 2.01 -1.10 -2.67 115.64 125.59 1kpp s THR 56 Ca 0.05 1.55 -0.19 0.00 0.31 0.00 0.00 61.69 63.41 1kpp s THR 56 Cb -0.24 -4.08 0.06 0.00 0.01 0.00 0.00 72.50 68.25 1kpp s THR 56 CO -0.01 0.32 0.89 0.61 -0.69 0.00 0.00 174.62 175.74 1kpp n GLY 57 N 2.64 0.50 2.94 4.40 0.00 -1.16 0.14 105.19 114.64 1kpp n GLY 57 Ca -0.02 -1.03 -0.13 0.00 0.00 0.00 0.00 46.02 44.83 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 -2.10 -0.05 0.18 2.61 -4.23 -1.26 -1.31 115.64 109.48 1kpp s THR 58 Ca 0.20 0.17 0.09 0.00 -1.18 0.00 0.00 61.69 60.98 1kpp s THR 58 Cb -0.01 -0.25 -0.04 0.00 1.34 0.00 0.00 72.50 73.53 1kpp s THR 58 CO 0.01 0.07 -0.12 0.27 -0.54 0.00 0.00 174.62 174.31 1kpp s ILE 59 N 1.15 3.02 1.01 2.99 -4.36 -1.22 -4.74 121.20 119.05 1kpp s ILE 59 Ca -0.09 -1.73 -0.14 0.00 -0.26 0.00 0.00 60.65 58.43 1kpp s ILE 59 Cb -0.11 -2.49 0.10 0.00 1.25 0.00 0.00 42.46 41.21 1kpp s ILE 59 CO -0.06 -0.11 0.52 -2.65 0.24 0.00 0.00 174.94 172.88 1kpp n PRO 60 N 0.09 -0.85 -3.19 0.37 -0.02 -1.25 -2.43 135.00 127.72 1kpp n PRO 60 Ca -0.11 -0.21 0.01 0.00 -2.02 0.00 0.00 63.50 61.17 1kpp n PRO 60 Cb 0.55 -1.95 -0.02 0.00 -0.02 0.00 0.00 33.50 32.06 1kpp n PRO 60 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1kpp s VAL 61 N -2.41 -0.92 -0.77 -1.45 1.01 0.30 -4.73 120.40 111.43 1kpp s VAL 61 Ca 0.60 -0.03 -0.26 0.00 0.00 0.00 0.00 61.98 62.29 1kpp s VAL 61 Cb -0.20 -0.98 -0.08 0.00 0.00 0.00 0.00 36.38 35.12 1kpp s VAL 61 CO 0.65 -0.04 2.18 -2.16 0.00 0.00 0.00 175.10 175.74 1kpp s PRO 62 N 2.78 2.11 -0.01 2.72 0.04 -1.24 0.90 135.00 142.32 1kpp s PRO 62 Ca 0.16 0.34 0.03 0.00 0.04 0.00 0.00 61.00 61.57 1kpp s PRO 62 Cb -0.13 -4.81 -0.01 0.00 0.04 0.00 0.00 34.50 29.59 1kpp s PRO 62 CO -0.23 -3.73 -0.10 -0.47 0.04 0.00 0.00 177.00 172.52 1kpp s TYR 63 N 12.17 0.85 -1.80 0.56 5.04 0.21 -4.44 117.35 129.93 1kpp s TYR 63 Ca 0.82 -0.17 0.00 0.00 -2.44 0.00 0.00 57.07 55.28 1kpp s TYR 63 Cb -0.11 -0.55 0.00 0.00 0.35 0.00 0.00 41.96 41.65 1kpp s TYR 63 CO 0.09 -0.01 0.00 0.54 -1.34 0.00 0.00 175.55 174.82 1kpp n ARG 64 N 2.80 -1.45 -0.89 4.97 1.74 -1.26 -1.12 116.66 121.44 1kpp n ARG 64 Ca -0.14 1.09 0.00 0.00 -0.77 0.00 0.00 57.85 58.04 1kpp n ARG 64 Cb 0.57 -5.45 0.00 0.00 -1.02 0.00 0.00 32.46 26.56 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 -0.34 0.48 3.32 -0.13 0.00 -1.26 -5.04 105.19 102.21 1kpp n GLY 65 Ca -0.17 -0.93 -0.17 0.00 0.00 0.00 0.00 46.02 44.76 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 -2.85 1.16 -0.50 1.61 3.84 -0.28 -5.12 114.94 112.80 1kpp s ASN 66 Ca 0.00 -1.60 -0.18 0.00 0.21 0.00 0.00 52.86 51.29 1kpp s ASN 66 Cb 0.00 0.54 0.07 0.00 -0.55 0.00 0.00 41.25 41.31 1kpp s ASN 66 CO 0.00 -1.07 0.56 -0.89 -2.79 0.00 0.00 177.10 172.91 1kpp s THR 67 N -3.52 4.99 0.54 -5.21 2.01 -1.26 -0.62 115.64 112.57 1kpp s THR 67 Ca 0.38 -0.74 -0.01 0.00 0.31 0.00 0.00 61.69 61.63 1kpp s THR 67 Cb 0.03 -4.26 0.02 0.00 0.01 0.00 0.00 72.50 68.30 1kpp s THR 67 CO 0.22 -0.76 0.79 -0.47 -0.69 0.00 0.00 174.62 173.71 1kpp s TYR 68 N 2.30 3.05 -0.23 4.92 5.04 0.26 -4.72 117.35 127.97 1kpp s TYR 68 Ca 0.11 0.23 0.01 0.00 -2.44 0.00 0.00 57.07 54.98 1kpp s TYR 68 Cb -0.21 -2.66 0.05 0.00 0.35 0.00 0.00 41.96 39.48 1kpp s TYR 68 CO 0.10 -0.77 -0.09 0.54 -1.34 0.00 0.00 175.55 173.99 1kpp s ASN 69 N -4.35 3.86 -0.35 4.32 2.20 -1.26 0.11 114.94 119.47 1kpp s ASN 69 Ca 0.54 -1.13 -0.07 0.00 -0.94 0.00 0.00 52.86 51.26 1kpp s ASN 69 Cb -0.10 -1.31 0.04 0.00 -2.00 0.00 0.00 41.25 37.88 1kpp s ASN 69 CO 0.40 -0.19 0.13 -0.63 -2.94 0.00 0.00 177.10 173.87 1kpp s ILE 70 N 1.31 3.88 0.36 0.54 -1.09 -1.02 -4.93 121.20 120.25 1kpp s ILE 70 Ca -0.05 -1.14 -0.27 0.00 -2.23 0.00 0.00 60.65 56.96 1kpp s ILE 70 Cb -0.18 -3.21 -0.09 0.00 -1.58 0.00 0.00 42.46 37.39 1kpp s ILE 70 CO -0.07 -0.21 1.23 -2.16 -1.23 0.00 0.00 174.94 172.50 1kpp s PRO 71 N 1.41 4.22 -0.11 2.79 0.04 -1.26 -3.41 135.00 138.69 1kpp s PRO 71 Ca -0.01 2.02 -0.08 0.00 0.04 0.00 0.00 61.00 62.97 1kpp s PRO 71 Cb -0.20 -2.90 0.03 0.00 0.04 0.00 0.00 34.50 31.48 1kpp s PRO 71 CO 0.03 -0.23 0.27 0.96 0.04 0.00 0.00 177.00 178.07 1kpp s ILE 72 N -1.25 -0.01 -0.24 0.56 -0.00 -0.43 -4.44 121.20 115.38 1kpp s ILE 72 Ca 0.52 0.04 -0.04 0.00 -0.00 0.00 0.00 60.65 61.17 1kpp s ILE 72 Cb -0.35 -0.39 -0.00 0.00 -0.00 0.00 0.00 42.46 41.71 1kpp s ILE 72 CO 0.46 0.02 -0.01 0.00 -0.00 0.00 0.00 174.94 175.40 1kpp s LEU 74 N 1.47 4.05 0.02 0.00 1.43 -1.09 -0.36 118.68 124.21 1kpp s LEU 74 Ca 0.04 1.37 0.07 0.00 -1.03 0.00 0.00 54.13 54.59 1kpp s LEU 74 Cb -0.15 -4.15 -0.02 0.00 0.03 0.00 0.00 46.19 41.90 1kpp s LEU 74 CO -0.02 -0.22 -0.22 0.26 0.23 0.00 0.00 176.35 176.38 1kpp s TRP 75 N -2.00 1.92 0.36 0.29 0.23 0.96 -2.43 118.94 118.27 1kpp s TRP 75 Ca 0.55 -0.38 0.07 0.00 -2.03 0.00 0.00 56.10 54.32 1kpp s TRP 75 Cb -0.10 -1.18 -0.07 0.00 0.03 0.00 0.00 33.47 32.15 1kpp s TRP 75 CO 0.17 0.05 -0.03 -0.51 0.96 0.00 0.00 176.95 177.59 1kpp s LEU 76 N -0.94 2.68 -0.00 2.99 2.01 -1.15 -2.40 118.68 121.87 1kpp s LEU 76 Ca 0.08 -1.28 -0.14 0.00 0.01 0.00 0.00 54.13 52.80 1kpp s LEU 76 Cb -0.09 -0.83 0.02 0.00 0.01 0.00 0.00 46.19 45.31 1kpp s LEU 76 CO 0.01 -0.37 0.30 -1.48 1.01 0.00 0.00 176.35 175.83 1kpp s LEU 77 N -3.60 0.88 0.23 1.79 -0.00 -1.26 -4.61 118.68 112.10 1kpp s LEU 77 Ca 0.33 0.02 -0.05 0.00 -0.00 0.00 0.00 54.13 54.44 1kpp s LEU 77 Cb 0.06 1.27 0.22 0.00 -0.00 0.00 0.00 46.19 47.74 1kpp s LEU 77 CO 0.16 -0.48 1.72 -2.24 -0.00 0.00 0.00 176.35 175.52 1kpp h ASP 78 N 3.75 0.91 0.00 1.48 2.03 -1.92 -3.44 116.42 119.22 1kpp h ASP 78 Ca -0.30 -0.22 0.00 0.00 -0.73 0.00 0.00 57.03 55.78 1kpp h ASP 78 Cb 1.18 -0.24 0.00 0.00 -0.83 0.00 0.00 39.33 39.44 1kpp h ASP 78 CO 0.41 0.94 0.00 1.07 -1.03 0.00 0.00 179.24 180.63 1kpp n THR 79 N -4.21 0.00 -2.68 1.15 5.66 -1.26 -1.13 114.28 111.81 1kpp n THR 79 Ca 0.03 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.76 1kpp n THR 79 Cb 0.30 0.00 -0.00 0.00 -1.55 0.00 0.00 70.33 69.08 1kpp n THR 79 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 175.07 171.71 1kpp s TYR 80 N 0.00 3.55 0.01 1.09 1.51 -1.26 -2.55 117.35 119.70 1kpp s TYR 80 Ca 0.00 0.81 -0.21 0.00 -1.01 0.00 0.00 57.07 56.67 1kpp s TYR 80 Cb 0.00 -2.30 -0.19 0.00 -0.11 0.00 0.00 41.96 39.36 1kpp s TYR 80 CO 0.00 -0.25 1.18 -1.35 -1.11 0.00 0.00 175.55 174.03 1kpp h PRO 81 N 0.33 0.36 0.00 -1.71 0.11 -1.99 -3.42 132.00 125.68 1kpp h PRO 81 Ca -0.47 -0.29 -0.00 0.00 0.11 0.00 0.00 66.00 65.34 1kpp h PRO 81 Cb 1.20 0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 1kpp h PRO 81 CO 0.62 0.94 -0.77 2.48 -0.21 0.00 0.00 178.00 181.06 1kpp n TYR 82 N -4.40 0.00 0.00 0.65 0.18 -1.25 -5.09 117.16 107.26 1kpp n TYR 82 Ca -0.08 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.70 1kpp n TYR 82 Cb 0.52 -0.38 0.00 0.00 -0.38 0.00 0.00 39.34 39.10 1kpp n TYR 82 CO 0.00 0.00 0.00 0.09 -2.08 0.00 0.00 176.86 174.87 1kpp n ASN 83 N -4.22 0.00 -4.45 9.48 4.13 -1.06 -4.96 115.26 114.19 1kpp n ASN 83 Ca -0.11 0.00 -0.42 0.00 1.68 0.00 0.00 54.58 55.73 1kpp n ASN 83 Cb 0.40 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.64 1kpp n ASN 83 CO 0.00 0.00 0.00 -2.65 0.28 0.00 0.00 177.26 174.89 1kpp n PRO 84 N 0.00 0.55 -2.62 3.52 -0.02 -1.26 -4.81 135.00 130.36 1kpp n PRO 84 Ca 0.00 0.20 -0.38 0.00 -2.02 0.00 0.00 63.50 61.30 1kpp n PRO 84 Cb 0.00 -1.47 -0.05 0.00 -0.02 0.00 0.00 33.50 31.96 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 -1.51 4.51 0.44 0.52 0.04 -1.26 -4.89 135.00 132.85 1kpp s PRO 85 Ca 0.63 1.54 -0.03 0.00 0.04 0.00 0.00 61.00 63.18 1kpp s PRO 85 Cb -0.63 -2.89 -0.03 0.00 0.04 0.00 0.00 34.50 30.99 1kpp s PRO 85 CO 0.58 0.16 0.70 0.42 0.04 0.00 0.00 177.00 178.91 1kpp s ILE 86 N -1.44 4.82 0.00 0.56 1.09 -1.01 -4.93 121.20 120.29 1kpp s ILE 86 Ca 0.50 -0.09 0.02 0.00 -1.10 0.00 0.00 60.65 59.98 1kpp s ILE 86 Cb -0.24 -3.81 -0.01 0.00 -1.06 0.00 0.00 42.46 37.34 1kpp s ILE 86 CO 0.31 -0.69 -0.07 0.00 -0.10 0.00 0.00 174.94 174.39 1kpp s PHE 88 N -0.33 -0.21 -0.30 0.00 0.40 0.52 -3.16 117.98 114.88 1kpp s PHE 88 Ca 0.01 0.47 -0.16 0.00 -0.60 0.00 0.00 56.93 56.65 1kpp s PHE 88 Cb -0.04 0.08 -0.02 0.00 0.51 0.00 0.00 43.02 43.55 1kpp s PHE 88 CO -0.00 -0.24 0.42 0.14 0.70 0.00 0.00 175.22 176.25 1kpp s VAL 89 N -0.50 5.12 -0.20 -0.44 -7.23 0.29 0.12 120.40 117.55 1kpp s VAL 89 Ca -0.06 0.44 -0.28 0.00 -1.81 0.00 0.00 61.98 60.27 1kpp s VAL 89 Cb -0.04 -3.81 0.00 0.00 0.56 0.00 0.00 36.38 33.10 1kpp s VAL 89 CO 0.02 -0.00 0.99 -0.75 -0.31 0.00 0.00 175.10 175.04 1kpp s LYS 90 N 2.17 4.28 0.29 4.82 2.47 -1.26 -4.81 119.74 127.70 1kpp s LYS 90 Ca 0.16 1.28 -0.29 0.00 -1.56 0.00 0.00 55.97 55.55 1kpp s LYS 90 Cb -0.16 -3.62 -0.13 0.00 -1.46 0.00 0.00 37.83 32.46 1kpp s LYS 90 CO 0.11 -0.53 1.26 -2.30 0.16 0.00 0.00 175.35 174.05 1kpp n PRO 91 N 5.95 1.88 -1.25 4.03 -0.02 -1.26 -4.76 135.00 139.57 1kpp n PRO 91 Ca 0.10 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 1kpp n PRO 91 Cb 0.47 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 1kpp n PRO 91 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 1kpp n THR 92 N 0.92 0.00 -0.08 3.45 5.66 -1.20 -5.00 114.28 118.04 1kpp n THR 92 Ca 0.09 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.99 1kpp n THR 92 Cb 0.33 -0.24 -0.05 0.00 -1.55 0.00 0.00 70.33 68.82 1kpp n THR 92 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 1kpp h SER 93 N 0.00 0.00 -0.12 1.09 0.02 -1.99 -3.37 113.55 109.19 1kpp h SER 93 Ca 0.00 -0.25 0.03 0.00 -0.84 0.00 0.00 61.79 60.74 1kpp h SER 93 Cb 0.00 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 1kpp h SER 93 CO 0.00 0.93 0.08 0.77 -1.14 0.00 0.00 176.83 177.48 1kpp h SER 94 N -1.00 0.00 -2.10 3.07 4.64 -2.00 -3.44 113.55 112.71 1kpp h SER 94 Ca -0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 1kpp h SER 94 Cb 0.68 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 1kpp h SER 94 CO -0.06 0.00 0.00 0.23 -0.87 0.00 0.00 176.83 176.13 1kpp n MET 95 N -4.46 0.43 0.00 4.77 2.81 -1.26 -5.11 117.12 114.30 1kpp n MET 95 Ca -0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 1kpp n MET 95 Cb 0.20 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.71 1kpp n MET 95 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1kpp n THR 96 N 0.00 0.00 0.00 2.03 -2.24 -1.26 -3.23 114.28 109.58 1kpp n THR 96 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1kpp n THR 96 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1kpp n THR 96 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1kpp n ILE 97 N -0.94 0.00 -4.01 2.28 5.41 -1.16 -4.33 119.36 116.61 1kpp n ILE 97 Ca 0.00 0.00 -0.34 0.00 1.00 0.00 0.00 62.75 63.41 1kpp n ILE 97 Cb 0.00 0.00 -0.15 0.00 -0.71 0.00 0.00 39.64 38.78 1kpp n ILE 97 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 1kpp s LYS 98 N 0.00 2.89 0.17 0.38 2.47 -0.61 -4.96 119.74 120.07 1kpp s LYS 98 Ca 0.00 -0.93 -0.33 0.00 -1.56 0.00 0.00 55.97 53.15 1kpp s LYS 98 Cb 0.00 -2.86 -0.14 0.00 -1.46 0.00 0.00 37.83 33.37 1kpp s LYS 98 CO 0.00 -0.33 1.45 0.25 0.16 0.00 0.00 175.35 176.87 1kpp n THR 99 N 4.65 0.36 0.00 3.43 -2.24 -1.24 -4.60 114.28 114.64 1kpp n THR 99 Ca -0.18 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 1kpp n THR 99 Cb 0.48 -1.32 0.00 0.00 -2.10 0.00 0.00 70.33 67.38 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 2.75 0.16 0.09 3.38 0.00 -1.26 -4.93 105.19 105.37 1kpp n GLY 100 Ca 0.15 0.26 -0.08 0.00 0.00 0.00 0.00 46.02 46.35 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 0.47 -2.52 1.61 4.01 -1.26 -4.80 118.16 115.68 1kpp n LYS 101 Ca 0.00 0.19 -0.20 0.00 -0.51 0.00 0.00 58.31 57.79 1kpp n LYS 101 Cb 0.00 -1.33 0.01 0.00 -0.51 0.00 0.00 35.03 33.20 1kpp n LYS 101 CO 0.00 0.00 0.00 0.72 -1.11 0.00 0.00 177.40 177.01 1kpp n HIS 102 N -4.26 2.52 0.00 2.13 8.25 -1.26 -4.71 115.22 117.88 1kpp n HIS 102 Ca -0.13 -2.88 0.00 0.00 -0.26 0.00 0.00 57.72 54.45 1kpp n HIS 102 Cb 0.47 -0.21 0.00 0.00 1.12 0.00 0.00 29.99 31.37 1kpp n HIS 102 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1kpp n VAL 103 N -0.37 0.00 -0.14 1.59 0.31 -1.24 -2.91 118.33 115.56 1kpp n VAL 103 Ca 0.28 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.54 1kpp n VAL 103 Cb 0.75 0.46 0.00 0.00 -0.91 0.00 0.00 33.84 34.14 1kpp n VAL 103 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1kpp n ASP 104 N -0.88 -0.07 -1.08 4.52 5.75 -1.26 -1.41 116.55 122.11 1kpp n ASP 104 Ca 0.00 0.00 0.12 0.00 -0.01 0.00 0.00 54.79 54.90 1kpp n ASP 104 Cb 0.00 0.00 0.24 0.00 -1.03 0.00 0.00 41.12 40.33 1kpp n ASP 104 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1kpp n ALA 105 N 1.33 2.43 -2.04 2.12 0.00 -1.26 -3.70 120.51 119.39 1kpp n ALA 105 Ca 0.00 -0.94 0.05 0.00 0.00 0.00 0.00 53.44 52.55 1kpp n ALA 105 Cb 0.00 -0.91 0.10 0.00 0.00 0.00 0.00 19.45 18.64 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 1.34 1.27 -1.93 0.00 4.13 -1.24 -4.97 115.26 113.86 1kpp n ASN 106 Ca 0.19 -2.78 -0.12 0.00 1.68 0.00 0.00 54.58 53.55 1kpp n ASN 106 Cb 0.57 -0.39 -0.03 0.00 -1.54 0.00 0.00 39.78 38.40 1kpp n ASN 106 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1kpp n GLY 107 N -0.27 0.25 3.76 7.41 0.00 -0.50 -4.79 105.19 111.05 1kpp n GLY 107 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 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 -4.08 4.44 -0.93 1.61 2.36 -1.14 -0.54 119.74 121.46 1kpp s LYS 108 Ca 0.00 0.98 -0.24 0.00 -2.55 0.00 0.00 55.97 54.16 1kpp s LYS 108 Cb 0.00 -3.32 -0.06 0.00 -1.05 0.00 0.00 37.83 33.40 1kpp s LYS 108 CO 0.00 0.41 1.98 0.42 1.55 0.00 0.00 175.35 179.71 1kpp s ILE 109 N -0.47 3.42 -1.34 5.43 1.09 -1.19 -3.69 121.20 124.45 1kpp s ILE 109 Ca 0.35 -0.40 -0.07 0.00 -1.10 0.00 0.00 60.65 59.43 1kpp s ILE 109 Cb -0.21 -4.00 0.11 0.00 -1.06 0.00 0.00 42.46 37.31 1kpp s ILE 109 CO 0.22 -0.88 2.30 0.00 -0.10 0.00 0.00 174.94 176.48 1kpp n TYR 110 N 14.42 2.68 -3.25 3.97 4.19 -1.15 -4.93 117.16 133.10 1kpp n TYR 110 Ca 0.41 -2.84 -0.43 0.00 3.31 0.00 0.00 57.90 58.35 1kpp n TYR 110 Cb 0.47 -1.92 -0.08 0.00 0.49 0.00 0.00 39.34 38.29 1kpp n TYR 110 CO 0.00 0.00 0.00 -0.51 0.91 0.00 0.00 176.86 177.26 1kpp s LEU 111 N -1.39 4.81 0.49 2.98 1.43 -1.26 -4.37 118.68 121.37 1kpp s LEU 111 Ca 0.52 -0.64 0.17 0.00 -1.03 0.00 0.00 54.13 53.14 1kpp s LEU 111 Cb 0.16 -2.48 1.20 0.00 0.03 0.00 0.00 46.19 45.10 1kpp s LEU 111 CO -0.07 -0.68 2.08 -0.65 0.23 0.00 0.00 176.35 177.27 1kpp h PRO 112 N 8.80 0.00 0.18 1.29 0.11 -1.95 -2.91 132.00 137.52 1kpp h PRO 112 Ca -0.26 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.86 1kpp h PRO 112 Cb 1.10 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 1kpp h PRO 112 CO 0.85 0.09 -0.23 1.88 -0.21 0.00 0.00 178.00 180.37 1kpp h TYR 113 N 0.00 -0.61 -0.33 0.65 0.05 -1.96 -1.89 116.97 112.87 1kpp h TYR 113 Ca -0.00 0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.78 1kpp h TYR 113 Cb 0.16 0.25 -0.02 0.00 1.01 0.00 0.00 36.73 38.13 1kpp h TYR 113 CO 0.00 -0.34 0.20 1.25 -1.05 0.00 0.00 178.16 178.22 1kpp h LEU 114 N -0.47 0.39 -0.59 3.88 5.85 -1.87 -1.88 115.31 120.61 1kpp h LEU 114 Ca 0.01 -0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.74 1kpp h LEU 114 Cb 0.46 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.35 1kpp h LEU 114 CO -0.09 0.30 0.36 -0.74 -0.34 0.00 0.00 178.44 177.93 1kpp h HIS 115 N 0.45 0.67 -0.69 1.25 2.76 -1.25 -1.57 115.15 116.77 1kpp h HIS 115 Ca 0.12 0.02 -0.21 0.00 -2.20 0.00 0.00 60.37 58.10 1kpp h HIS 115 Cb -0.01 -0.22 -0.13 0.00 1.55 0.00 0.00 27.41 28.60 1kpp h HIS 115 CO 0.00 0.38 0.27 0.39 -1.30 0.00 0.00 177.93 177.66 1kpp n GLU 116 N -4.75 3.44 -4.07 5.26 -0.58 -0.83 -4.88 120.64 114.22 1kpp n GLU 116 Ca 0.05 -2.77 -0.34 0.00 -0.42 0.00 0.00 57.16 53.68 1kpp n GLU 116 Cb 0.09 -2.13 -0.14 0.00 -0.57 0.00 0.00 31.44 28.68 1kpp n GLU 116 CO 0.00 0.00 0.00 -0.46 -0.48 0.00 0.00 177.13 176.19 1kpp s TRP 117 N -2.75 2.92 0.00 -0.32 -0.11 -0.59 -4.93 118.94 113.16 1kpp s TRP 117 Ca 0.50 -0.94 0.06 0.00 1.22 0.00 0.00 56.10 56.94 1kpp s TRP 117 Cb 0.40 -2.04 0.10 0.00 -1.50 0.00 0.00 33.47 30.43 1kpp s TRP 117 CO 0.12 -0.51 0.96 1.63 -4.62 0.00 0.00 176.95 174.54 1kpp n LYS 118 N 4.54 0.00 0.00 5.86 4.76 -1.26 -4.87 118.16 127.19 1kpp n LYS 118 Ca -0.18 -1.08 0.00 0.00 -2.87 0.00 0.00 58.31 54.18 1kpp n LYS 118 Cb 0.51 0.23 0.00 0.00 -1.84 0.00 0.00 35.03 33.93 1kpp n LYS 118 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1kpp n HIS 119 N 0.12 0.00 1.52 2.13 8.25 -1.26 -4.67 115.22 121.31 1kpp n HIS 119 Ca -0.14 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.42 1kpp n HIS 119 Cb 0.77 0.00 0.43 0.00 1.12 0.00 0.00 29.99 32.31 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 -0.24 1.45 -1.01 -0.41 -0.04 -1.26 -4.38 135.00 129.11 1kpp n PRO 120 Ca 0.00 -0.68 -0.04 0.00 -0.04 0.00 0.00 63.50 62.74 1kpp n PRO 120 Cb 0.00 -1.35 -0.05 0.00 -0.04 0.00 0.00 33.50 32.07 1kpp n PRO 120 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1kpp n GLN 121 N -0.10 0.00 -1.65 0.54 0.00 -1.26 -5.11 117.38 109.80 1kpp n GLN 121 Ca 0.15 -1.04 -0.49 0.00 0.00 0.00 0.00 57.00 55.62 1kpp n GLN 121 Cb 0.23 0.35 -0.05 0.00 0.00 0.00 0.00 30.24 30.76 1kpp n GLN 121 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1kpp n SER 122 N 0.07 3.20 -0.42 2.61 2.88 -1.26 -4.53 113.62 116.16 1kpp n SER 122 Ca -0.19 0.85 0.00 0.00 -1.33 0.00 0.00 58.87 58.19 1kpp n SER 122 Cb 0.74 -1.35 0.00 0.00 -0.75 0.00 0.00 64.21 62.85 1kpp n SER 122 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1kpp n ASP 123 N 7.39 0.00 -0.05 -3.46 -0.08 -1.26 -4.77 116.55 114.32 1kpp n ASP 123 Ca 0.26 -0.42 0.24 0.00 -1.51 0.00 0.00 54.79 53.36 1kpp n ASP 123 Cb 0.29 0.00 0.72 0.00 2.34 0.00 0.00 41.12 44.47 1kpp n ASP 123 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 1kpp h LEU 124 N 0.00 0.00 0.28 -2.67 5.85 -1.95 -0.26 115.31 116.56 1kpp h LEU 124 Ca 0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1kpp h LEU 124 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1kpp h LEU 124 CO 0.00 0.00 -0.14 -0.07 -0.34 0.00 0.00 178.44 177.89 1kpp h LEU 125 N 0.00 -0.32 -1.09 2.25 -0.00 -1.91 -3.09 115.31 111.14 1kpp h LEU 125 Ca 0.32 -0.21 -0.05 0.00 -0.00 0.00 0.00 57.88 57.93 1kpp h LEU 125 Cb 1.43 0.08 -0.02 0.00 -0.00 0.00 0.00 40.66 42.15 1kpp h LEU 125 CO -0.00 0.11 0.06 1.23 -0.00 0.00 0.00 178.44 179.83 1kpp h GLY 126 N -0.83 0.75 1.05 0.83 0.00 -1.51 -2.31 103.07 101.05 1kpp h GLY 126 Ca -0.04 -0.45 0.12 0.00 0.00 0.00 0.00 47.33 46.96 1kpp h GLY 126 CO 0.06 0.42 0.36 -2.00 0.00 0.00 0.00 176.54 175.39 1kpp h LEU 127 N 0.67 0.17 -0.04 3.11 5.85 -1.13 0.35 115.31 124.29 1kpp h LEU 127 Ca 0.14 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.83 1kpp h LEU 127 Cb 0.33 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 1kpp h LEU 127 CO 0.01 0.10 -0.17 0.40 -0.34 0.00 0.00 178.44 178.43 1kpp h ILE 128 N 0.18 0.30 0.08 4.05 1.08 -1.33 -2.99 117.51 118.88 1kpp h ILE 128 Ca 0.25 -1.40 -0.27 0.00 -0.39 0.00 0.00 64.86 63.05 1kpp h ILE 128 Cb 0.74 2.13 -0.01 0.00 -3.07 0.00 0.00 36.82 36.61 1kpp h ILE 128 CO -0.04 0.17 -1.34 -0.61 -0.69 0.00 0.00 178.15 175.64 1kpp h GLN 129 N 0.00 0.18 -0.05 2.37 -0.00 -0.27 -2.65 115.11 114.68 1kpp h GLN 129 Ca -0.00 -0.30 -0.06 0.00 -0.00 0.00 0.00 58.65 58.29 1kpp h GLN 129 Cb 1.12 0.11 0.00 0.00 0.00 0.00 0.00 27.48 28.71 1kpp h GLN 129 CO 0.02 1.06 -0.19 -0.24 0.00 0.00 0.00 178.83 179.49 1kpp h VAL 130 N 0.05 1.45 -0.41 2.39 3.04 -1.18 -3.15 116.25 118.44 1kpp h VAL 130 Ca -0.16 -1.60 -0.08 0.00 -1.01 0.00 0.00 66.70 63.85 1kpp h VAL 130 Cb 1.95 2.35 -0.01 0.00 -2.01 0.00 0.00 31.29 33.57 1kpp h VAL 130 CO 0.16 0.45 -0.05 0.24 -1.01 0.00 0.00 177.57 177.36 1kpp h MET 131 N -0.31 0.76 -0.62 4.17 2.86 -1.67 -1.03 114.93 119.10 1kpp h MET 131 Ca -0.01 -0.27 0.18 0.00 -2.06 0.00 0.00 59.70 57.54 1kpp h MET 131 Cb 0.82 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.40 1kpp h MET 131 CO 0.04 0.87 0.44 0.97 1.06 0.00 0.00 176.91 180.29 1kpp h ILE 132 N 0.59 0.69 0.00 -1.22 2.10 -1.55 -0.33 117.51 117.79 1kpp h ILE 132 Ca 0.11 -0.00 -0.11 0.00 1.08 0.00 0.00 64.86 65.94 1kpp h ILE 132 Cb 0.55 0.68 -0.02 0.00 -1.09 0.00 0.00 36.82 36.95 1kpp h ILE 132 CO 0.03 0.00 -0.67 0.58 -1.08 0.00 0.00 178.15 177.02 1kpp h VAL 133 N 0.01 1.06 -0.18 2.19 2.07 -1.44 -1.93 116.25 118.04 1kpp h VAL 133 Ca 0.29 -2.03 0.04 0.00 0.82 0.00 0.00 66.70 65.83 1kpp h VAL 133 Cb 1.17 2.24 -0.05 0.00 -1.52 0.00 0.00 31.29 33.13 1kpp h VAL 133 CO -0.01 0.36 -0.12 1.62 0.02 0.00 0.00 177.57 179.45 1kpp h VAL 134 N -1.00 0.65 -0.00 2.57 3.04 -0.74 -1.18 116.25 119.59 1kpp h VAL 134 Ca -0.17 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.52 1kpp h VAL 134 Cb 1.03 0.65 0.00 0.00 -2.01 0.00 0.00 31.29 30.96 1kpp h VAL 134 CO -0.10 0.00 -0.33 2.22 -1.01 0.00 0.00 177.57 178.34 1kpp n PHE 135 N -5.27 0.00 0.20 3.17 1.16 -0.18 -3.53 117.46 113.01 1kpp n PHE 135 Ca -0.02 0.00 0.08 0.00 -1.87 0.00 0.00 57.45 55.64 1kpp n PHE 135 Cb 0.19 -0.29 0.36 0.00 -1.61 0.00 0.00 39.48 38.13 1kpp n PHE 135 CO 0.00 0.00 0.00 0.78 -1.87 0.00 0.00 176.76 175.67 1kpp h GLY 136 N 4.99 0.00 0.66 4.97 0.00 -0.40 -3.15 103.07 110.14 1kpp h GLY 136 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.01 1kpp h GLY 136 CO 0.00 0.00 -1.93 1.22 0.00 0.00 0.00 176.54 175.83 1kpp n ASP 137 N -3.41 0.71 -3.54 0.19 9.92 -0.75 -3.59 116.55 116.08 1kpp n ASP 137 Ca 0.00 0.28 0.00 0.00 -0.53 0.00 0.00 54.79 54.54 1kpp n ASP 137 Cb 0.49 0.19 -0.04 0.00 -0.64 0.00 0.00 41.12 41.13 1kpp n ASP 137 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 1kpp s GLU 138 N -2.56 0.50 -0.22 -1.24 2.12 -1.19 -4.85 118.70 111.25 1kpp s GLU 138 Ca -0.08 1.21 -0.28 0.00 0.36 0.00 0.00 54.97 56.18 1kpp s GLU 138 Cb 0.07 0.73 -0.05 0.00 0.26 0.00 0.00 34.13 35.14 1kpp s GLU 138 CO 0.82 -0.21 2.10 -2.14 -0.54 0.00 0.00 175.26 175.29 1kpp s PRO 139 N 2.78 3.26 0.22 4.30 0.02 -1.23 -4.32 135.00 140.03 1kpp s PRO 139 Ca -0.03 1.95 0.25 0.00 0.02 0.00 0.00 61.00 63.19 1kpp s PRO 139 Cb -0.11 -4.31 0.55 0.00 0.02 0.00 0.00 34.50 30.65 1kpp s PRO 139 CO -0.19 -1.95 1.57 -1.00 -0.33 0.00 0.00 177.00 175.10 1kpp h PRO 140 N 14.20 0.00 0.00 5.54 0.13 -1.89 -3.09 132.00 146.89 1kpp h PRO 140 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1kpp h PRO 140 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1kpp h PRO 140 CO 0.97 0.00 0.14 0.28 -0.23 0.00 0.00 178.00 179.17 1kpp h VAL 141 N 0.00 0.00 0.00 1.56 2.07 -1.89 -3.04 116.25 114.95 1kpp h VAL 141 Ca 0.00 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.47 1kpp h VAL 141 Cb 0.80 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 1kpp h VAL 141 CO 0.00 0.00 -1.18 0.33 0.02 0.00 0.00 177.57 176.74 1kpp n PHE 142 N -2.89 0.00 -2.82 1.57 7.35 -1.24 -1.58 117.46 117.85 1kpp n PHE 142 Ca -0.02 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.56 1kpp n PHE 142 Cb 0.20 -0.12 0.05 0.00 0.35 0.00 0.00 39.48 39.96 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 -2.67 -4.34 -4.17 -2.13 2.88 -1.15 -4.57 113.62 97.48 1kpp n SER 143 Ca -0.06 -0.49 -0.39 0.00 -1.33 0.00 0.00 58.87 56.61 1kpp n SER 143 Cb 0.56 -3.84 -0.09 0.00 -0.75 0.00 0.00 64.21 60.09 1kpp n SER 143 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 1kpp s ARG 144 N -4.28 2.44 0.00 -1.46 3.52 -1.26 -5.09 118.95 112.82 1kpp s ARG 144 Ca 0.23 -2.01 0.00 0.00 -0.13 0.00 0.00 55.73 53.82 1kpp s ARG 144 Cb -0.03 -3.82 0.00 0.00 -1.56 0.00 0.00 34.95 29.54 1kpp s ARG 144 CO 0.52 -1.16 0.29 -2.30 -0.81 0.00 0.00 175.30 171.84