#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 3.99 -0.02 0.00 0.24 -1.26 -4.66 118.33 116.62 1kpp n VAL 3 Ca 0.00 -5.63 0.03 0.00 -2.04 0.00 0.00 64.34 56.69 1kpp n VAL 3 Cb 0.00 -1.87 -0.08 0.00 -1.47 0.00 0.00 33.84 30.42 1kpp n VAL 3 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1kpp n SER 4 N 0.62 2.52 0.08 -1.34 2.88 -1.26 -4.00 113.62 113.12 1kpp n SER 4 Ca 0.32 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.71 1kpp n SER 4 Cb 0.36 1.29 -0.14 0.00 -0.75 0.00 0.00 64.21 64.97 1kpp n SER 4 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 1kpp h GLU 5 N 0.00 0.23 0.07 -1.46 4.11 -2.00 -2.87 114.58 112.65 1kpp h GLU 5 Ca -0.07 -0.39 -0.26 0.00 0.07 0.00 0.00 59.36 58.71 1kpp h GLU 5 Cb 0.80 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.18 1kpp h GLU 5 CO 0.00 1.12 -1.24 0.77 0.07 0.00 0.00 179.01 179.74 1kpp h SER 6 N 0.06 0.23 -0.26 3.06 0.02 -1.91 -3.21 113.55 111.54 1kpp h SER 6 Ca -0.18 -0.27 -0.14 0.00 -0.84 0.00 0.00 61.79 60.36 1kpp h SER 6 Cb 1.98 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 64.44 1kpp h SER 6 CO 0.17 1.22 -0.38 -0.61 -1.14 0.00 0.00 176.83 176.09 1kpp h GLN 7 N 0.04 0.72 -0.55 3.45 4.15 -1.69 -3.11 115.11 118.12 1kpp h GLN 7 Ca -0.12 -0.43 0.01 0.00 0.77 0.00 0.00 58.65 58.88 1kpp h GLN 7 Cb 1.91 0.04 -0.03 0.00 0.21 0.00 0.00 27.48 29.61 1kpp h GLN 7 CO 0.16 1.05 0.36 1.25 -1.93 0.00 0.00 178.83 179.72 1kpp h LEU 8 N 0.46 0.62 -1.78 -2.39 5.85 -1.61 -1.74 115.31 114.72 1kpp h LEU 8 Ca 0.03 -0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.81 1kpp h LEU 8 Cb 0.97 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.83 1kpp h LEU 8 CO 0.09 0.45 0.29 0.50 -0.34 0.00 0.00 178.44 179.43 1kpp h LYS 9 N 0.74 0.25 0.00 1.25 3.64 -1.55 0.44 116.57 121.34 1kpp h LYS 9 Ca 0.20 -0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 59.45 1kpp h LYS 9 Cb -0.08 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.67 1kpp h LYS 9 CO -0.05 0.17 -0.58 0.87 -2.27 0.00 0.00 179.45 177.59 1kpp h LYS 10 N 0.26 0.00 0.09 1.90 1.57 -1.25 -1.54 116.57 117.59 1kpp h LYS 10 Ca 0.20 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.65 1kpp h LYS 10 Cb 0.44 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 1kpp h LYS 10 CO -0.04 0.58 -1.79 0.52 -0.57 0.00 0.00 179.45 178.16 1kpp h MET 11 N 0.00 0.18 -0.26 3.15 2.86 -0.68 -3.34 114.93 116.85 1kpp h MET 11 Ca -0.01 -0.31 0.00 0.00 -2.06 0.00 0.00 59.70 57.32 1kpp h MET 11 Cb 1.09 0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.87 1kpp h MET 11 CO 0.08 0.97 0.00 1.33 1.06 0.00 0.00 176.91 180.35 1kpp n VAL 12 N -3.34 0.35 0.07 -2.22 0.24 0.14 -3.87 118.33 109.69 1kpp n VAL 12 Ca -0.23 -0.39 -0.06 0.00 -2.04 0.00 0.00 64.34 61.62 1kpp n VAL 12 Cb 1.05 0.24 -0.08 0.00 -1.47 0.00 0.00 33.84 33.58 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 1.89 0.00 0.88 -1.34 4.64 -1.39 -3.16 113.55 115.06 1kpp h SER 13 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1kpp h SER 13 Cb 0.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 1kpp h SER 13 CO 0.00 0.92 0.00 0.11 -0.87 0.00 0.00 176.83 176.99 1kpp h LYS 14 N 0.00 0.00 -6.64 4.77 1.57 -1.80 -3.45 116.57 111.02 1kpp h LYS 14 Ca -0.01 0.00 -0.47 0.00 -1.87 0.00 0.00 60.65 58.30 1kpp h LYS 14 Cb 1.67 0.00 0.23 0.00 0.08 0.00 0.00 32.23 34.21 1kpp h LYS 14 CO 0.12 0.00 -1.12 0.66 -0.57 0.00 0.00 179.45 178.54 1kpp n TYR 15 N -2.75 -1.49 -0.06 -1.35 4.01 -1.20 -4.96 117.16 109.36 1kpp n TYR 15 Ca 0.01 0.18 -0.20 0.00 -0.16 0.00 0.00 57.90 57.73 1kpp n TYR 15 Cb 0.27 -1.59 -0.13 0.00 -0.31 0.00 0.00 39.34 37.59 1kpp n TYR 15 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 1kpp h LYS 16 N -1.90 0.08 0.00 -0.72 1.63 -1.88 -3.42 116.57 110.37 1kpp h LYS 16 Ca -0.51 -0.14 -0.02 0.00 -0.85 0.00 0.00 60.65 59.13 1kpp h LYS 16 Cb 1.35 0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 33.03 1kpp h LYS 16 CO 0.36 1.07 -0.28 1.88 -3.45 0.00 0.00 179.45 179.03 1kpp h TYR 17 N -0.76 0.00 0.00 1.91 0.05 -1.92 -3.47 116.97 112.78 1kpp h TYR 17 Ca -0.26 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.52 1kpp h TYR 17 Cb 1.39 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.13 1kpp h TYR 17 CO 0.15 0.23 0.00 -2.13 -1.05 0.00 0.00 178.16 175.36 1kpp n ARG 18 N -4.68 0.00 -0.09 4.88 0.00 -1.26 -4.07 116.66 111.44 1kpp n ARG 18 Ca -0.06 0.00 0.24 0.00 -0.00 0.00 0.00 57.85 58.03 1kpp n ARG 18 Cb 0.20 0.00 0.71 0.00 0.00 0.00 0.00 32.46 33.37 1kpp n ARG 18 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.63 177.85 1kpp h ASP 19 N 0.00 0.00 0.23 6.15 3.58 -1.94 0.32 116.42 124.76 1kpp h ASP 19 Ca 0.00 0.00 -0.35 0.00 0.42 0.00 0.00 57.03 57.10 1kpp h ASP 19 Cb 0.00 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.06 1kpp h ASP 19 CO 0.00 0.00 -1.71 0.25 -2.88 0.00 0.00 179.24 174.90 1kpp h LEU 20 N 0.00 0.61 -0.14 2.28 6.46 -1.98 -3.10 115.31 119.45 1kpp h LEU 20 Ca 0.34 -0.89 -0.02 0.00 -0.12 0.00 0.00 57.88 57.19 1kpp h LEU 20 Cb 1.37 -0.20 -0.00 0.00 -0.73 0.00 0.00 40.66 41.10 1kpp h LEU 20 CO -0.00 1.74 -0.00 0.74 -0.62 0.00 0.00 178.44 180.30 1kpp h THR 21 N 0.11 1.26 -0.87 1.05 2.02 -1.39 -1.72 112.91 113.36 1kpp h THR 21 Ca -0.33 -0.84 -0.02 0.00 0.77 0.00 0.00 66.41 65.99 1kpp h THR 21 Cb 2.10 1.55 -0.04 0.00 -1.74 0.00 0.00 68.15 70.01 1kpp h THR 21 CO 0.18 0.25 0.47 0.58 0.37 0.00 0.00 175.52 177.37 1kpp h VAL 22 N -0.02 1.25 0.05 3.16 2.07 -0.61 -0.65 116.25 121.50 1kpp h VAL 22 Ca 0.04 -0.64 -0.00 0.00 0.82 0.00 0.00 66.70 66.91 1kpp h VAL 22 Cb 0.38 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.24 1kpp h VAL 22 CO 0.01 0.29 -0.02 -0.09 0.02 0.00 0.00 177.57 177.77 1kpp h ARG 23 N 1.22 -0.06 -0.29 1.57 9.65 -1.45 -0.65 114.38 124.37 1kpp h ARG 23 Ca 0.31 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 59.19 1kpp h ARG 23 Cb 0.04 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.62 1kpp h ARG 23 CO -0.05 0.11 0.18 0.93 2.80 0.00 0.00 179.97 183.94 1kpp h GLU 24 N -0.23 0.39 0.00 0.20 5.08 -1.13 -0.36 114.58 118.52 1kpp h GLU 24 Ca -0.01 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1kpp h GLU 24 Cb 0.21 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1kpp h GLU 24 CO 0.01 0.29 -0.05 1.15 -1.00 0.00 0.00 179.01 179.41 1kpp h THR 25 N 0.37 0.88 -0.31 1.13 2.02 -1.08 -2.49 112.91 113.43 1kpp h THR 25 Ca 0.10 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.30 1kpp h THR 25 Cb -0.00 0.88 -0.02 0.00 -1.74 0.00 0.00 68.15 67.26 1kpp h THR 25 CO -0.02 0.00 0.16 1.62 0.37 0.00 0.00 175.52 177.65 1kpp h VAL 26 N -0.08 1.00 -0.78 3.16 3.04 -0.97 -0.82 116.25 120.80 1kpp h VAL 26 Ca 0.02 -0.12 0.18 0.00 -1.01 0.00 0.00 66.70 65.77 1kpp h VAL 26 Cb 0.11 0.64 -0.05 0.00 -2.01 0.00 0.00 31.29 29.97 1kpp h VAL 26 CO -0.05 0.06 0.53 -1.13 -1.01 0.00 0.00 177.57 175.97 1kpp h ASN 27 N 0.34 0.28 0.00 3.17 -0.73 -0.85 0.80 115.58 118.60 1kpp h ASN 27 Ca 0.13 0.02 -0.00 0.00 1.87 0.00 0.00 56.30 58.32 1kpp h ASN 27 Cb 0.03 -0.03 -0.00 0.00 0.27 0.00 0.00 38.32 38.59 1kpp h ASN 27 CO -0.08 0.13 -0.06 0.58 -0.37 0.00 0.00 177.43 177.64 1kpp h VAL 28 N 0.29 0.18 -0.47 2.57 2.07 -0.93 -3.05 116.25 116.91 1kpp h VAL 28 Ca 0.39 -1.14 0.01 0.00 0.82 0.00 0.00 66.70 66.78 1kpp h VAL 28 Cb 1.08 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 1kpp h VAL 28 CO -0.10 0.06 0.31 0.16 0.02 0.00 0.00 177.57 178.02 1kpp h ILE 29 N -1.00 1.11 -0.43 4.57 3.07 -0.95 0.91 117.51 124.79 1kpp h ILE 29 Ca -0.00 -0.21 -0.11 0.00 1.55 0.00 0.00 64.86 66.08 1kpp h ILE 29 Cb 0.15 0.44 -0.02 0.00 -0.27 0.00 0.00 36.82 37.12 1kpp h ILE 29 CO -0.00 0.11 -0.19 0.00 -1.05 0.00 0.00 178.15 177.02 1kpp h THR 30 N 0.62 1.27 0.01 0.16 1.03 0.48 -3.15 112.91 113.33 1kpp h THR 30 Ca 0.17 -1.30 -0.27 0.00 -0.01 0.00 0.00 66.41 65.00 1kpp h THR 30 Cb -0.05 1.14 -0.04 0.00 -1.07 0.00 0.00 68.15 68.14 1kpp h THR 30 CO -0.04 0.44 -1.47 -0.07 -0.01 0.00 0.00 175.52 174.38 1kpp h LEU 31 N 0.73 0.03 -8.80 0.00 -0.00 -1.25 -3.45 115.31 102.57 1kpp h LEU 31 Ca 0.11 -0.05 -0.64 0.00 -0.00 0.00 0.00 57.88 57.29 1kpp h LEU 31 Cb 0.71 -0.01 -0.21 0.00 -0.00 0.00 0.00 40.66 41.15 1kpp h LEU 31 CO 0.05 1.05 -0.62 -0.31 -0.00 0.00 0.00 178.44 178.61 1kpp s TYR 32 N -2.64 3.11 -1.03 1.13 1.51 0.31 -5.03 117.35 114.72 1kpp s TYR 32 Ca -0.03 -0.28 -0.03 0.00 -1.01 0.00 0.00 57.07 55.72 1kpp s TYR 32 Cb 0.09 -2.13 0.31 0.00 -0.11 0.00 0.00 41.96 40.12 1kpp s TYR 32 CO 0.82 -0.15 1.46 1.63 -1.11 0.00 0.00 175.55 178.21 1kpp n LYS 33 N 4.22 4.44 0.00 -0.62 5.02 -1.26 -4.33 118.16 125.64 1kpp n LYS 33 Ca -0.17 -4.59 0.00 0.00 -2.02 0.00 0.00 58.31 51.54 1kpp n LYS 33 Cb 0.52 -2.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.05 1kpp n LYS 33 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1kpp n ASP 34 N 1.07 0.00 -4.72 4.39 5.68 -1.26 -5.11 116.55 116.60 1kpp n ASP 34 Ca 0.29 0.00 -0.42 0.00 -0.50 0.00 0.00 54.79 54.16 1kpp n ASP 34 Cb 0.33 0.05 -0.03 0.00 -1.14 0.00 0.00 41.12 40.32 1kpp n ASP 34 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 1kpp s LEU 35 N -2.53 4.37 -0.36 -2.12 2.01 -1.26 -4.48 118.68 114.32 1kpp s LEU 35 Ca 0.00 2.71 0.01 0.00 0.01 0.00 0.00 54.13 56.86 1kpp s LEU 35 Cb 0.00 -3.59 0.10 0.00 0.01 0.00 0.00 46.19 42.71 1kpp s LEU 35 CO 0.00 -0.90 0.10 -0.75 1.01 0.00 0.00 176.35 175.81 1kpp s LYS 36 N 1.35 1.81 0.28 1.70 2.47 0.19 -4.89 119.74 122.65 1kpp s LYS 36 Ca 0.73 -1.77 -0.28 0.00 -1.56 0.00 0.00 55.97 53.08 1kpp s LYS 36 Cb -0.46 -3.34 -0.14 0.00 -1.46 0.00 0.00 37.83 32.43 1kpp s LYS 36 CO 0.32 -0.94 1.02 -2.30 0.16 0.00 0.00 175.35 173.61 1kpp n PRO 37 N 4.43 1.36 -4.26 4.03 -0.02 -1.26 -3.36 135.00 135.91 1kpp n PRO 37 Ca -0.01 0.48 -0.15 0.00 -2.02 0.00 0.00 63.50 61.80 1kpp n PRO 37 Cb 0.42 -1.86 -0.10 0.00 -0.02 0.00 0.00 33.50 31.94 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 -1.01 1.04 -0.15 -1.45 1.01 0.22 -4.91 120.40 115.14 1kpp s VAL 38 Ca 0.59 -2.04 0.01 0.00 0.00 0.00 0.00 61.98 60.55 1kpp s VAL 38 Cb -0.70 -2.01 0.01 0.00 0.00 0.00 0.00 36.38 33.68 1kpp s VAL 38 CO 0.60 -0.61 -0.19 -0.22 0.00 0.00 0.00 175.10 174.68 1kpp s LEU 39 N -3.20 2.24 -0.15 3.92 1.98 -1.26 -1.02 118.68 121.19 1kpp s LEU 39 Ca 0.20 -0.57 -0.07 0.00 -2.89 0.00 0.00 54.13 50.81 1kpp s LEU 39 Cb 0.04 -1.49 0.06 0.00 0.66 0.00 0.00 46.19 45.46 1kpp s LEU 39 CO 0.03 0.06 0.33 -0.62 -1.89 0.00 0.00 176.35 174.26 1kpp s ASP 40 N 0.92 -0.27 0.40 3.68 -1.08 -0.04 -4.96 116.67 115.32 1kpp s ASP 40 Ca -0.04 0.73 -0.03 0.00 -0.52 0.00 0.00 52.55 52.70 1kpp s ASP 40 Cb -0.15 0.70 -0.04 0.00 -1.46 0.00 0.00 42.92 41.98 1kpp s ASP 40 CO -0.03 -0.20 0.66 -0.94 0.52 0.00 0.00 175.17 175.18 1kpp s SER 41 N 1.65 6.30 -0.37 -0.34 1.04 -1.25 -2.52 113.70 118.21 1kpp s SER 41 Ca -0.07 0.70 -0.04 0.00 0.48 0.00 0.00 55.95 57.02 1kpp s SER 41 Cb -0.10 -2.14 0.08 0.00 0.10 0.00 0.00 66.02 63.96 1kpp s SER 41 CO -0.11 -0.41 0.14 -0.47 0.98 0.00 0.00 173.24 173.38 1kpp s TYR 42 N -2.47 3.42 0.72 5.02 6.14 0.10 -4.85 117.35 125.44 1kpp s TYR 42 Ca 0.44 -2.02 -0.12 0.00 0.64 0.00 0.00 57.07 56.01 1kpp s TYR 42 Cb -0.10 -2.75 0.03 0.00 0.42 0.00 0.00 41.96 39.56 1kpp s TYR 42 CO 0.39 -0.88 1.09 0.14 0.64 0.00 0.00 175.55 176.93 1kpp s VAL 43 N 1.24 3.41 -0.79 3.14 -7.23 -1.26 -2.36 120.40 116.55 1kpp s VAL 43 Ca 0.02 0.52 0.02 0.00 -1.81 0.00 0.00 61.98 60.74 1kpp s VAL 43 Cb -0.22 -3.05 0.24 0.00 0.56 0.00 0.00 36.38 33.92 1kpp s VAL 43 CO -0.02 -0.54 0.84 0.49 -0.31 0.00 0.00 175.10 175.56 1kpp n PHE 44 N -3.09 3.52 -4.07 2.82 3.01 -0.98 -4.85 117.46 113.82 1kpp n PHE 44 Ca 0.09 -3.93 -0.30 0.00 1.01 0.00 0.00 57.45 54.32 1kpp n PHE 44 Cb 0.53 -0.83 -0.04 0.00 -0.01 0.00 0.00 39.48 39.13 1kpp n PHE 44 CO 0.00 0.00 0.00 0.27 1.01 0.00 0.00 176.76 178.04 1kpp n ASN 45 N 1.49 -0.79 -1.71 4.37 0.23 -1.26 0.12 115.26 117.71 1kpp n ASN 45 Ca 0.25 -1.13 -0.19 0.00 -0.53 0.00 0.00 54.58 52.98 1kpp n ASN 45 Cb 0.38 -2.43 -0.06 0.00 -2.08 0.00 0.00 39.78 35.59 1kpp n ASN 45 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1kpp n ASP 46 N -2.83 -5.37 -0.00 0.53 9.92 -1.26 -4.83 116.55 112.71 1kpp n ASP 46 Ca -0.27 0.30 0.05 0.00 -0.53 0.00 0.00 54.79 54.34 1kpp n ASP 46 Cb 0.67 -4.50 -0.07 0.00 -0.64 0.00 0.00 41.12 36.58 1kpp n ASP 46 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1kpp n GLY 47 N -0.77 -0.22 0.00 0.44 0.00 0.32 -5.08 105.19 99.88 1kpp n GLY 47 Ca -0.20 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.53 1kpp n GLY 47 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1kpp n SER 48 N -1.52 0.00 -3.15 1.61 2.88 -1.24 -4.90 113.62 107.30 1kpp n SER 48 Ca 0.00 -0.94 0.04 0.00 -1.33 0.00 0.00 58.87 56.64 1kpp n SER 48 Cb 0.22 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.67 1kpp n SER 48 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1kpp s SER 49 N -0.83 -1.35 -0.13 -3.46 1.04 -1.26 -2.33 113.70 105.37 1kpp s SER 49 Ca 0.00 0.65 -0.11 0.00 0.48 0.00 0.00 55.95 56.97 1kpp s SER 49 Cb 0.00 2.06 -0.05 0.00 0.10 0.00 0.00 66.02 68.13 1kpp s SER 49 CO 0.00 -0.25 0.24 0.00 0.98 0.00 0.00 173.24 174.21 1kpp s ARG 50 N 2.86 3.98 -0.07 4.02 1.70 -1.00 -4.91 118.95 125.54 1kpp s ARG 50 Ca 0.17 0.03 -0.30 0.00 -0.47 0.00 0.00 55.73 55.16 1kpp s ARG 50 Cb -0.13 -3.33 -0.03 0.00 -0.57 0.00 0.00 34.95 30.88 1kpp s ARG 50 CO -0.21 0.46 1.29 -1.21 -1.08 0.00 0.00 175.30 174.54 1kpp s GLU 51 N -0.17 4.30 0.08 3.89 8.01 -1.26 0.02 118.70 133.56 1kpp s GLU 51 Ca 0.16 1.77 0.03 0.00 0.01 0.00 0.00 54.97 56.93 1kpp s GLU 51 Cb -0.13 -3.63 -0.03 0.00 -4.31 0.00 0.00 34.13 26.03 1kpp s GLU 51 CO 0.04 -0.56 -0.09 -1.17 0.01 0.00 0.00 175.26 173.49 1kpp s LEU 52 N 2.65 2.39 0.12 1.80 2.96 -1.05 -4.89 118.68 122.67 1kpp s LEU 52 Ca 0.58 -0.79 0.10 0.00 -0.22 0.00 0.00 54.13 53.80 1kpp s LEU 52 Cb -0.26 -0.22 -0.04 0.00 0.50 0.00 0.00 46.19 46.17 1kpp s LEU 52 CO 0.22 -0.29 -0.23 -0.32 -1.32 0.00 0.00 176.35 174.40 1kpp s MET 53 N -2.73 1.56 0.08 1.98 -2.45 -1.25 -0.86 119.30 115.62 1kpp s MET 53 Ca 0.03 -1.28 -0.05 0.00 -1.25 0.00 0.00 55.69 53.15 1kpp s MET 53 Cb -0.03 -1.99 -0.02 0.00 1.25 0.00 0.00 34.83 34.04 1kpp s MET 53 CO -0.01 0.46 0.09 0.54 1.05 0.00 0.00 175.02 177.15 1kpp s ASN 54 N -2.08 0.29 -0.14 1.11 2.20 -0.19 -3.09 114.94 113.04 1kpp s ASN 54 Ca 0.16 -0.86 -0.00 0.00 -0.94 0.00 0.00 52.86 51.22 1kpp s ASN 54 Cb -0.10 0.28 0.03 0.00 -2.00 0.00 0.00 41.25 39.46 1kpp s ASN 54 CO 0.08 -0.68 -0.10 -0.76 -2.94 0.00 0.00 177.10 172.70 1kpp s LEU 55 N -2.91 1.54 0.22 3.54 1.43 -1.06 0.73 118.68 122.17 1kpp s LEU 55 Ca 0.08 -0.49 0.12 0.00 -1.03 0.00 0.00 54.13 52.81 1kpp s LEU 55 Cb 0.06 -1.02 -0.05 0.00 0.03 0.00 0.00 46.19 45.22 1kpp s LEU 55 CO -0.09 -0.11 -0.23 -0.89 0.23 0.00 0.00 176.35 175.26 1kpp s THR 56 N 1.58 2.40 0.00 5.49 2.01 -1.21 -1.25 115.64 124.66 1kpp s THR 56 Ca 0.04 -2.13 0.00 0.00 0.31 0.00 0.00 61.69 59.90 1kpp s THR 56 Cb -0.13 -2.18 0.00 0.00 0.01 0.00 0.00 72.50 70.19 1kpp s THR 56 CO -0.09 -0.20 0.00 0.61 -0.69 0.00 0.00 174.62 174.25 1kpp n GLY 57 N 0.01 1.39 3.40 4.40 0.00 -1.15 0.54 105.19 113.78 1kpp n GLY 57 Ca -0.10 -1.13 -0.34 0.00 0.00 0.00 0.00 46.02 44.44 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 3.62 0.09 2.61 -4.23 -1.26 -1.85 115.64 112.63 1kpp s THR 58 Ca 0.00 -0.43 0.03 0.00 -1.18 0.00 0.00 61.69 60.11 1kpp s THR 58 Cb 0.00 -2.62 -0.04 0.00 1.34 0.00 0.00 72.50 71.18 1kpp s THR 58 CO 0.00 0.45 0.13 0.27 -0.54 0.00 0.00 174.62 174.93 1kpp s ILE 59 N 0.95 4.76 0.53 2.99 -4.36 -1.20 -4.71 121.20 120.16 1kpp s ILE 59 Ca 0.00 -0.72 -0.20 0.00 -0.26 0.00 0.00 60.65 59.47 1kpp s ILE 59 Cb -0.15 -3.33 -0.06 0.00 1.25 0.00 0.00 42.46 40.18 1kpp s ILE 59 CO 0.01 0.09 1.13 -2.16 0.24 0.00 0.00 174.94 174.25 1kpp s PRO 60 N -2.55 3.43 -0.28 0.37 0.04 -1.26 -2.45 135.00 132.29 1kpp s PRO 60 Ca 0.31 1.63 -0.00 0.00 0.04 0.00 0.00 61.00 62.98 1kpp s PRO 60 Cb -0.12 -2.07 0.17 0.00 0.04 0.00 0.00 34.50 32.52 1kpp s PRO 60 CO 0.24 -0.79 0.49 0.08 0.04 0.00 0.00 177.00 177.05 1kpp s VAL 61 N -1.74 -0.80 -0.30 -0.36 1.01 -1.18 -4.90 120.40 112.13 1kpp s VAL 61 Ca 0.71 -0.07 -0.35 0.00 0.00 0.00 0.00 61.98 62.28 1kpp s VAL 61 Cb -0.24 -0.93 -0.11 0.00 0.00 0.00 0.00 36.38 35.10 1kpp s VAL 61 CO 0.28 -0.08 2.13 -2.65 0.00 0.00 0.00 175.10 174.78 1kpp n PRO 62 N 5.39 1.30 -3.67 2.72 -0.02 -1.26 -1.97 135.00 137.50 1kpp n PRO 62 Ca -0.01 0.38 -0.38 0.00 -2.02 0.00 0.00 63.50 61.47 1kpp n PRO 62 Cb 0.51 -2.55 -0.10 0.00 -0.02 0.00 0.00 33.50 31.35 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 6.83 3.51 -1.76 6.00 5.04 0.15 -4.63 117.35 132.48 1kpp s TYR 63 Ca 1.06 -2.30 0.00 0.00 -2.44 0.00 0.00 57.07 53.39 1kpp s TYR 63 Cb -0.80 -3.33 0.00 0.00 0.35 0.00 0.00 41.96 38.18 1kpp s TYR 63 CO 0.49 -0.95 0.00 0.54 -1.34 0.00 0.00 175.55 174.29 1kpp n ARG 64 N 4.42 -1.62 0.00 4.97 1.74 -1.26 -0.99 116.66 123.91 1kpp n ARG 64 Ca -0.01 0.99 0.00 0.00 -0.77 0.00 0.00 57.85 58.06 1kpp n ARG 64 Cb 0.41 -5.48 0.00 0.00 -1.02 0.00 0.00 32.46 26.36 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 -0.65 2.00 4.02 -0.13 0.00 -1.26 -5.09 105.19 104.08 1kpp n GLY 65 Ca -0.20 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.72 4.84 -0.29 1.61 3.84 -0.16 -5.05 114.94 118.01 1kpp s ASN 66 Ca 0.00 -0.65 -0.02 0.00 0.21 0.00 0.00 52.86 52.40 1kpp s ASN 66 Cb 0.00 0.14 0.04 0.00 -0.55 0.00 0.00 41.25 40.88 1kpp s ASN 66 CO 0.00 -1.51 -0.00 -0.89 -2.79 0.00 0.00 177.10 171.90 1kpp s THR 67 N -2.83 3.07 0.25 -5.21 2.01 -1.26 0.35 115.64 112.01 1kpp s THR 67 Ca 0.63 -1.26 0.02 0.00 0.31 0.00 0.00 61.69 61.39 1kpp s THR 67 Cb -0.06 -2.71 0.05 0.00 0.01 0.00 0.00 72.50 69.79 1kpp s THR 67 CO 0.41 -0.04 0.34 0.00 -0.69 0.00 0.00 174.62 174.64 1kpp n TYR 68 N 4.66 -2.98 -3.32 4.92 9.36 -0.83 -4.89 117.16 124.07 1kpp n TYR 68 Ca -0.14 -0.74 -0.19 0.00 3.32 0.00 0.00 57.90 60.16 1kpp n TYR 68 Cb 0.44 -0.24 -0.08 0.00 -0.63 0.00 0.00 39.34 38.83 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 -2.46 1.15 -0.50 2.98 2.20 -1.26 -3.08 114.94 113.96 1kpp s ASN 69 Ca 0.24 -1.91 -0.22 0.00 -0.94 0.00 0.00 52.86 50.03 1kpp s ASN 69 Cb -0.02 0.42 0.04 0.00 -2.00 0.00 0.00 41.25 39.69 1kpp s ASN 69 CO 0.16 -0.23 0.80 -0.63 -2.94 0.00 0.00 177.10 174.26 1kpp s ILE 70 N 1.11 4.61 0.79 0.54 1.09 -1.03 -4.79 121.20 123.52 1kpp s ILE 70 Ca 0.21 0.16 -0.11 0.00 -1.10 0.00 0.00 60.65 59.81 1kpp s ILE 70 Cb -0.12 -4.39 0.07 0.00 -1.06 0.00 0.00 42.46 36.96 1kpp s ILE 70 CO -0.05 -0.87 1.09 -2.16 -0.10 0.00 0.00 174.94 172.85 1kpp s PRO 71 N 3.36 2.13 0.20 2.79 0.04 -1.26 -3.23 135.00 139.03 1kpp s PRO 71 Ca 0.26 1.18 -0.21 0.00 0.04 0.00 0.00 61.00 62.27 1kpp s PRO 71 Cb -0.14 -1.88 0.05 0.00 0.04 0.00 0.00 34.50 32.57 1kpp s PRO 71 CO 0.19 -1.74 0.62 0.96 0.04 0.00 0.00 177.00 177.07 1kpp s ILE 72 N -2.89 0.01 0.24 0.56 -5.25 -0.77 -4.11 121.20 108.99 1kpp s ILE 72 Ca 0.62 -0.45 0.10 0.00 -0.99 0.00 0.00 60.65 59.93 1kpp s ILE 72 Cb -0.18 -1.41 -0.05 0.00 2.95 0.00 0.00 42.46 43.78 1kpp s ILE 72 CO 0.56 -0.02 -0.19 0.00 -1.79 0.00 0.00 174.94 173.50 1kpp s LEU 74 N -3.28 1.74 -0.06 0.00 1.43 -0.38 -0.67 118.68 117.45 1kpp s LEU 74 Ca 0.26 -0.17 0.05 0.00 -1.03 0.00 0.00 54.13 53.24 1kpp s LEU 74 Cb -0.04 -0.51 -0.01 0.00 0.03 0.00 0.00 46.19 45.66 1kpp s LEU 74 CO 0.11 0.05 -0.23 0.26 0.23 0.00 0.00 176.35 176.77 1kpp s TRP 75 N 0.28 2.30 0.11 0.29 0.23 0.63 -2.58 118.94 120.20 1kpp s TRP 75 Ca -0.04 -0.74 0.04 0.00 -2.03 0.00 0.00 56.10 53.33 1kpp s TRP 75 Cb -0.09 -1.52 -0.04 0.00 0.03 0.00 0.00 33.47 31.85 1kpp s TRP 75 CO 0.00 -0.25 -0.10 -0.51 0.96 0.00 0.00 176.95 177.06 1kpp s LEU 76 N -0.01 2.44 0.25 2.99 1.43 -1.18 0.11 118.68 124.72 1kpp s LEU 76 Ca -0.07 -0.87 0.07 0.00 -1.03 0.00 0.00 54.13 52.23 1kpp s LEU 76 Cb -0.14 -0.28 -0.05 0.00 0.03 0.00 0.00 46.19 45.74 1kpp s LEU 76 CO 0.04 -0.30 -0.09 -1.48 0.23 0.00 0.00 176.35 174.75 1kpp s LEU 77 N -2.65 2.50 0.18 1.79 -0.00 -1.26 -4.41 118.68 114.83 1kpp s LEU 77 Ca 0.08 -1.12 -0.13 0.00 -0.00 0.00 0.00 54.13 52.96 1kpp s LEU 77 Cb -0.01 -0.65 0.09 0.00 -0.00 0.00 0.00 46.19 45.61 1kpp s LEU 77 CO -0.01 -0.27 1.84 -2.24 -0.00 0.00 0.00 176.35 175.67 1kpp h ASP 78 N 2.40 0.68 0.00 1.48 2.03 -1.93 -3.45 116.42 117.62 1kpp h ASP 78 Ca -0.39 -0.03 0.00 0.00 -0.73 0.00 0.00 57.03 55.88 1kpp h ASP 78 Cb 1.23 -0.17 0.00 0.00 -0.83 0.00 0.00 39.33 39.56 1kpp h ASP 78 CO 0.65 0.51 0.00 0.41 -1.03 0.00 0.00 179.24 179.78 1kpp n THR 79 N -4.66 0.00 -2.70 1.15 -1.04 -1.26 -3.33 114.28 102.44 1kpp n THR 79 Ca 0.04 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.76 1kpp n THR 79 Cb 0.03 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.53 1kpp n THR 79 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 1kpp s TYR 80 N -0.70 3.53 -0.07 -1.42 1.51 -1.26 -2.13 117.35 116.80 1kpp s TYR 80 Ca 0.00 0.93 -0.25 0.00 -1.01 0.00 0.00 57.07 56.74 1kpp s TYR 80 Cb 0.00 -2.38 -0.26 0.00 -0.11 0.00 0.00 41.96 39.21 1kpp s TYR 80 CO 0.00 -0.22 0.93 -1.00 -1.11 0.00 0.00 175.55 174.15 1kpp h PRO 81 N 0.65 0.17 0.00 -1.71 0.13 -1.99 -3.43 132.00 125.82 1kpp h PRO 81 Ca -0.47 -0.22 0.00 0.00 -0.87 0.00 0.00 66.00 64.44 1kpp h PRO 81 Cb 1.20 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1kpp h PRO 81 CO 0.63 1.02 -0.09 1.88 -0.23 0.00 0.00 178.00 181.21 1kpp h TYR 82 N -0.58 0.00 0.00 1.56 0.05 -2.04 -3.50 116.97 112.45 1kpp h TYR 82 Ca -0.05 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.73 1kpp h TYR 82 Cb 1.17 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.91 1kpp h TYR 82 CO 0.21 0.00 0.00 0.09 -1.05 0.00 0.00 178.16 177.41 1kpp n ASN 83 N -2.77 0.00 -4.44 3.88 3.02 -0.91 -4.99 115.26 109.05 1kpp n ASN 83 Ca -0.01 0.00 -0.44 0.00 -0.03 0.00 0.00 54.58 54.10 1kpp n ASN 83 Cb 0.05 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.21 1kpp n ASN 83 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 1kpp n PRO 84 N 0.00 0.49 -2.87 3.52 -0.02 -1.26 -4.73 135.00 130.12 1kpp n PRO 84 Ca 0.00 0.17 -0.40 0.00 -2.02 0.00 0.00 63.50 61.26 1kpp n PRO 84 Cb 0.00 -1.37 -0.06 0.00 -0.02 0.00 0.00 33.50 32.05 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 -1.35 4.67 0.56 0.52 0.04 -1.26 -4.78 135.00 133.40 1kpp s PRO 85 Ca 0.62 1.30 -0.08 0.00 0.04 0.00 0.00 61.00 62.87 1kpp s PRO 85 Cb -0.70 -3.30 -0.04 0.00 0.04 0.00 0.00 34.50 30.50 1kpp s PRO 85 CO 0.59 0.47 0.92 0.42 0.04 0.00 0.00 177.00 179.43 1kpp s ILE 86 N -0.86 4.76 0.00 0.56 1.09 0.31 -4.94 121.20 122.13 1kpp s ILE 86 Ca 0.39 0.55 0.02 0.00 -1.10 0.00 0.00 60.65 60.52 1kpp s ILE 86 Cb -0.24 -3.86 -0.01 0.00 -1.06 0.00 0.00 42.46 37.30 1kpp s ILE 86 CO 0.28 -1.00 -0.07 0.00 -0.10 0.00 0.00 174.94 174.06 1kpp n PHE 88 N 2.66 -0.68 -4.26 0.00 3.01 0.15 -2.72 117.46 115.62 1kpp n PHE 88 Ca -0.15 -2.82 -0.21 0.00 1.01 0.00 0.00 57.45 55.28 1kpp n PHE 88 Cb 0.57 0.26 -0.12 0.00 -0.01 0.00 0.00 39.48 40.17 1kpp n PHE 88 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1kpp s VAL 89 N -3.34 1.36 -0.65 -4.37 0.11 -0.96 0.62 120.40 113.17 1kpp s VAL 89 Ca 0.38 -1.35 -0.01 0.00 -2.93 0.00 0.00 61.98 58.07 1kpp s VAL 89 Cb 0.02 -1.26 0.17 0.00 -1.53 0.00 0.00 36.38 33.77 1kpp s VAL 89 CO 0.27 -0.11 0.46 -0.75 -3.33 0.00 0.00 175.10 171.64 1kpp s LYS 90 N -1.69 2.56 0.54 1.54 2.47 -1.26 -4.58 119.74 119.31 1kpp s LYS 90 Ca 0.02 -2.75 -0.20 0.00 -1.56 0.00 0.00 55.97 51.49 1kpp s LYS 90 Cb -0.10 -3.66 -0.08 0.00 -1.46 0.00 0.00 37.83 32.53 1kpp s LYS 90 CO 0.03 -1.19 0.70 -2.30 0.16 0.00 0.00 175.35 172.75 1kpp n PRO 91 N 3.08 0.73 -2.79 4.03 -0.02 -1.26 -4.58 135.00 134.19 1kpp n PRO 91 Ca 0.10 0.28 -0.16 0.00 -2.02 0.00 0.00 63.50 61.70 1kpp n PRO 91 Cb 0.36 -1.84 0.02 0.00 -0.02 0.00 0.00 33.50 32.03 1kpp n PRO 91 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1kpp n THR 92 N -1.42 0.00 0.08 3.45 -2.24 -1.26 -5.04 114.28 107.85 1kpp n THR 92 Ca 0.12 -1.44 -0.09 0.00 -2.27 0.00 0.00 64.05 60.38 1kpp n THR 92 Cb 0.45 -0.38 -0.06 0.00 -2.10 0.00 0.00 70.33 68.24 1kpp n THR 92 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 1kpp h SER 93 N 0.29 0.16 0.23 3.42 0.87 -1.99 -3.35 113.55 113.18 1kpp h SER 93 Ca -0.22 -0.15 -0.01 0.00 -1.23 0.00 0.00 61.79 60.18 1kpp h SER 93 Cb 0.87 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.78 1kpp h SER 93 CO 0.33 1.03 -0.11 0.28 -0.53 0.00 0.00 176.83 177.83 1kpp h SER 94 N 0.05 -0.26 -2.09 6.23 0.02 -2.02 -3.46 113.55 112.03 1kpp h SER 94 Ca -0.04 -0.20 -0.47 0.00 -0.84 0.00 0.00 61.79 60.24 1kpp h SER 94 Cb 1.65 0.07 0.09 0.00 0.14 0.00 0.00 62.40 64.34 1kpp h SER 94 CO 0.14 0.26 0.13 -0.04 -1.14 0.00 0.00 176.83 176.18 1kpp s MET 95 N -3.14 1.49 0.00 3.45 1.00 -1.26 -5.09 119.30 115.75 1kpp s MET 95 Ca -0.10 -1.18 0.00 0.00 0.00 0.00 0.00 55.69 54.42 1kpp s MET 95 Cb 0.00 -2.30 0.00 0.00 0.00 0.00 0.00 34.83 32.54 1kpp s MET 95 CO 0.34 -1.60 0.00 -2.37 0.00 0.00 0.00 175.02 171.39 1kpp n THR 96 N -2.94 0.00 -3.52 2.05 5.66 -0.22 -4.14 114.28 111.17 1kpp n THR 96 Ca 0.16 0.00 0.01 0.00 -3.05 0.00 0.00 64.05 61.18 1kpp n THR 96 Cb 0.61 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.33 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 0.84 -0.08 -0.26 1.09 1.10 0.70 -4.67 121.20 119.93 1kpp s ILE 97 Ca 0.00 0.00 -0.04 0.00 -0.51 0.00 0.00 60.65 60.10 1kpp s ILE 97 Cb 0.00 -1.00 0.01 0.00 0.15 0.00 0.00 42.46 41.62 1kpp s ILE 97 CO 0.00 0.00 -0.01 -1.59 -2.11 0.00 0.00 174.94 171.23 1kpp s LYS 98 N 1.50 3.04 0.01 3.50 -2.85 0.70 -4.64 119.74 121.00 1kpp s LYS 98 Ca -0.06 -0.86 -0.23 0.00 -1.00 0.00 0.00 55.97 53.82 1kpp s LYS 98 Cb -0.03 -3.12 -0.05 0.00 -2.06 0.00 0.00 37.83 32.57 1kpp s LYS 98 CO -0.13 -0.37 0.70 0.95 0.10 0.00 0.00 175.35 176.60 1kpp s THR 99 N 1.42 4.83 0.05 3.79 -4.23 -1.21 -4.51 115.64 115.77 1kpp s THR 99 Ca 0.02 1.48 0.00 0.00 -1.18 0.00 0.00 61.69 62.02 1kpp s THR 99 Cb -0.16 -4.05 0.00 0.00 1.34 0.00 0.00 72.50 69.63 1kpp s THR 99 CO -0.02 0.37 0.00 0.61 -0.54 0.00 0.00 174.62 175.04 1kpp n GLY 100 N 2.50 -1.74 0.00 3.99 0.00 -1.26 -5.02 105.19 103.67 1kpp n GLY 100 Ca -0.04 0.61 0.00 0.00 0.00 0.00 0.00 46.02 46.60 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 -2.54 0.00 0.00 1.61 5.02 -1.26 -4.92 118.16 116.07 1kpp n LYS 101 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1kpp n LYS 101 Cb 0.00 -0.43 0.00 0.00 -0.02 0.00 0.00 35.03 34.58 1kpp n LYS 101 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1kpp n HIS 102 N -2.37 0.00 -2.25 2.13 8.25 -1.26 -4.85 115.22 114.87 1kpp n HIS 102 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.04 1kpp n HIS 102 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 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 -1.24 4.17 -0.30 1.59 0.31 -1.26 -3.15 118.33 118.45 1kpp n VAL 103 Ca 0.00 -4.14 -0.13 0.00 -0.01 0.00 0.00 64.34 60.06 1kpp n VAL 103 Cb 0.00 -2.41 0.13 0.00 -0.91 0.00 0.00 33.84 30.65 1kpp n VAL 103 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1kpp n ASP 104 N 4.43 -2.70 -0.08 4.52 8.00 -1.25 -3.35 116.55 126.11 1kpp n ASP 104 Ca 0.42 -0.37 0.09 0.00 0.71 0.00 0.00 54.79 55.64 1kpp n ASP 104 Cb 0.37 -0.56 0.46 0.00 -0.02 0.00 0.00 41.12 41.36 1kpp n ASP 104 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1kpp h ALA 105 N -2.59 1.88 -0.45 2.24 0.00 -1.94 0.70 119.26 119.11 1kpp h ALA 105 Ca -0.17 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1kpp h ALA 105 Cb 0.57 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1kpp h ALA 105 CO 0.10 0.01 0.00 -1.71 0.00 0.00 0.00 179.25 177.65 1kpp n ASN 106 N -4.47 4.58 -2.37 0.00 2.85 -1.26 -4.90 115.26 109.69 1kpp n ASN 106 Ca 0.08 -2.69 -0.15 0.00 -0.11 0.00 0.00 54.58 51.72 1kpp n ASN 106 Cb 0.27 -0.63 -0.01 0.00 1.24 0.00 0.00 39.78 40.65 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 0.51 -0.38 3.60 8.20 0.00 0.24 -4.73 105.19 112.63 1kpp n GLY 107 Ca 0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.80 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 -4.92 3.78 -0.34 1.61 2.20 -1.26 -2.26 119.74 118.54 1kpp s LYS 108 Ca 0.00 0.51 -0.29 0.00 -0.36 0.00 0.00 55.97 55.84 1kpp s LYS 108 Cb 0.00 -3.83 -0.01 0.00 -1.51 0.00 0.00 37.83 32.48 1kpp s LYS 108 CO 0.00 -1.03 1.69 0.42 -0.36 0.00 0.00 175.35 176.08 1kpp s ILE 109 N 3.60 3.59 -0.33 5.43 1.09 -1.10 -3.75 121.20 129.72 1kpp s ILE 109 Ca 0.39 0.60 0.15 0.00 -1.10 0.00 0.00 60.65 60.69 1kpp s ILE 109 Cb -0.11 -3.78 0.46 0.00 -1.06 0.00 0.00 42.46 37.96 1kpp s ILE 109 CO 0.21 -0.49 1.05 0.00 -0.10 0.00 0.00 174.94 175.60 1kpp n TYR 110 N 9.81 1.90 -1.38 3.97 4.11 -1.19 -4.53 117.16 129.86 1kpp n TYR 110 Ca 0.21 -2.68 -0.39 0.00 -0.00 0.00 0.00 57.90 55.03 1kpp n TYR 110 Cb 0.47 -0.27 0.02 0.00 -0.00 0.00 0.00 39.34 39.56 1kpp n TYR 110 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.86 178.14 1kpp n LEU 111 N -0.34 -1.21 0.12 -3.48 4.32 -1.26 -4.83 117.00 110.31 1kpp n LEU 111 Ca 0.20 0.75 -0.03 0.00 -0.02 0.00 0.00 56.01 56.90 1kpp n LEU 111 Cb 0.79 -1.03 0.13 0.00 -1.62 0.00 0.00 43.42 41.69 1kpp n LEU 111 CO 0.26 -3.72 0.45 1.55 -1.22 0.00 0.00 177.39 174.71 1kpp h PRO 112 N 0.26 0.07 0.85 3.23 0.13 -1.99 -2.71 132.00 131.85 1kpp h PRO 112 Ca -0.42 -0.05 -0.04 0.00 -0.87 0.00 0.00 66.00 64.61 1kpp h PRO 112 Cb 1.42 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.56 1kpp h PRO 112 CO 0.46 0.70 -0.48 -0.92 -0.23 0.00 0.00 178.00 177.53 1kpp h TYR 113 N 0.05 -1.27 -0.08 1.56 5.03 -1.94 -0.86 116.97 119.46 1kpp h TYR 113 Ca -0.01 -0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.26 1kpp h TYR 113 Cb 1.17 0.44 -0.01 0.00 1.55 0.00 0.00 36.73 39.89 1kpp h TYR 113 CO 0.01 -0.73 -0.05 1.37 -1.32 0.00 0.00 178.16 177.43 1kpp h LEU 114 N -1.23 0.10 0.49 2.82 8.10 -1.95 0.26 115.31 123.90 1kpp h LEU 114 Ca -0.11 -0.01 -0.02 0.00 0.11 0.00 0.00 57.88 57.85 1kpp h LEU 114 Cb 0.97 -0.03 -0.00 0.00 -0.44 0.00 0.00 40.66 41.16 1kpp h LEU 114 CO 0.14 0.17 -0.29 -0.74 -4.11 0.00 0.00 178.44 173.62 1kpp h HIS 115 N 0.11 -0.75 -1.00 0.17 2.76 -1.12 -2.81 115.15 112.51 1kpp h HIS 115 Ca 0.03 -0.01 -0.54 0.00 -2.20 0.00 0.00 60.37 57.65 1kpp h HIS 115 Cb 0.17 0.26 -0.31 0.00 1.55 0.00 0.00 27.41 29.08 1kpp h HIS 115 CO 0.00 -0.44 0.68 -1.91 -1.30 0.00 0.00 177.93 174.96 1kpp n GLU 116 N -5.42 2.29 -0.03 5.26 2.13 -0.36 -4.55 120.64 119.96 1kpp n GLU 116 Ca -0.11 -3.04 -0.00 0.00 0.66 0.00 0.00 57.16 54.66 1kpp n GLU 116 Cb 0.32 -2.19 -0.00 0.00 0.27 0.00 0.00 31.44 29.84 1kpp n GLU 116 CO 0.00 0.00 0.00 2.35 -0.41 0.00 0.00 177.13 179.07 1kpp h TRP 117 N 1.10 0.00 0.00 4.31 2.91 -0.67 -3.49 115.95 120.11 1kpp h TRP 117 Ca 0.64 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.66 1kpp h TRP 117 Cb 2.67 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 31.32 1kpp h TRP 117 CO 1.58 0.00 0.00 1.17 -1.03 0.00 0.00 178.44 180.16 1kpp n LYS 118 N -3.57 0.00 -3.84 2.65 4.81 -1.26 -5.01 118.16 111.95 1kpp n LYS 118 Ca -0.00 0.00 0.02 0.00 -0.87 0.00 0.00 58.31 57.46 1kpp n LYS 118 Cb 0.02 0.00 0.01 0.00 0.02 0.00 0.00 35.03 35.07 1kpp n LYS 118 CO 0.00 0.00 0.00 -1.01 1.17 0.00 0.00 177.40 177.56 1kpp s HIS 119 N 0.00 0.00 -1.94 5.64 3.76 -1.26 -4.31 115.29 117.18 1kpp s HIS 119 Ca 0.00 -0.12 0.30 0.00 -0.15 0.00 0.00 55.06 55.08 1kpp s HIS 119 Cb 0.00 0.56 1.39 0.00 1.11 0.00 0.00 32.58 35.64 1kpp s HIS 119 CO 0.00 -0.30 1.94 -0.35 -0.85 0.00 0.00 174.74 175.19 1kpp n PRO 120 N -0.73 0.99 0.11 8.40 -0.04 -1.26 -4.82 135.00 137.65 1kpp n PRO 120 Ca -0.02 -0.33 0.20 0.00 -0.04 0.00 0.00 63.50 63.32 1kpp n PRO 120 Cb 0.60 -1.49 0.75 0.00 -0.04 0.00 0.00 33.50 33.32 1kpp n PRO 120 CO 0.00 0.00 0.00 -0.56 -0.04 0.00 0.00 175.50 174.90 1kpp h GLN 121 N 0.80 0.00 -4.11 0.54 -0.00 -1.98 -3.27 115.11 107.08 1kpp h GLN 121 Ca 0.00 0.00 -0.53 0.00 -0.00 0.00 0.00 58.65 58.12 1kpp h GLN 121 Cb 0.29 0.00 0.04 0.00 -0.00 0.00 0.00 27.48 27.80 1kpp h GLN 121 CO 0.00 0.00 2.34 0.45 -0.00 0.00 0.00 178.83 181.62 1kpp n SER 122 N -3.64 3.21 -4.97 0.06 2.88 -1.26 -4.81 113.62 105.09 1kpp n SER 122 Ca 0.06 -2.53 -0.21 0.00 -1.33 0.00 0.00 58.87 54.86 1kpp n SER 122 Cb 0.60 -1.07 0.03 0.00 -0.75 0.00 0.00 64.21 63.02 1kpp n SER 122 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 1kpp s ASP 123 N 4.50 5.38 0.27 -3.46 -4.77 -1.24 -4.95 116.67 112.41 1kpp s ASP 123 Ca 0.49 0.05 -0.02 0.00 -3.30 0.00 0.00 52.55 49.77 1kpp s ASP 123 Cb 0.12 -1.00 0.41 0.00 -1.09 0.00 0.00 42.92 41.36 1kpp s ASP 123 CO 0.07 -1.06 1.90 0.25 0.70 0.00 0.00 175.17 177.02 1kpp h LEU 124 N 0.13 1.03 -0.86 2.11 5.85 -1.92 -1.56 115.31 120.10 1kpp h LEU 124 Ca -0.43 0.00 0.19 0.00 0.84 0.00 0.00 57.88 58.48 1kpp h LEU 124 Cb 1.29 -0.22 -0.11 0.00 0.37 0.00 0.00 40.66 41.98 1kpp h LEU 124 CO 0.53 0.67 0.37 -0.07 -0.34 0.00 0.00 178.44 179.61 1kpp h LEU 125 N 1.18 0.33 0.00 2.25 4.07 -1.94 0.10 115.31 121.30 1kpp h LEU 125 Ca 0.41 0.14 -0.15 0.00 0.08 0.00 0.00 57.88 58.36 1kpp h LEU 125 Cb 0.12 0.11 -0.02 0.00 1.08 0.00 0.00 40.66 41.95 1kpp h LEU 125 CO -0.15 0.05 -0.81 1.23 -1.08 0.00 0.00 178.44 177.68 1kpp h GLY 126 N 0.44 0.00 1.44 0.83 0.00 -1.68 -3.13 103.07 100.96 1kpp h GLY 126 Ca 0.51 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.90 1kpp h GLY 126 CO -0.48 0.00 0.24 -2.00 0.00 0.00 0.00 176.54 174.30 1kpp h LEU 127 N 0.00 0.19 0.00 3.11 7.12 0.14 -0.94 115.31 124.93 1kpp h LEU 127 Ca -0.04 0.00 -0.23 0.00 0.13 0.00 0.00 57.88 57.75 1kpp h LEU 127 Cb 1.55 -0.04 -0.04 0.00 -0.53 0.00 0.00 40.66 41.61 1kpp h LEU 127 CO 0.08 0.12 -1.43 0.40 -0.13 0.00 0.00 178.44 177.49 1kpp h ILE 128 N 0.21 0.85 -0.54 4.05 5.03 -1.50 -3.34 117.51 122.28 1kpp h ILE 128 Ca 0.16 -2.53 -0.01 0.00 -0.12 0.00 0.00 64.86 62.35 1kpp h ILE 128 Cb 0.35 2.35 -0.03 0.00 -3.03 0.00 0.00 36.82 36.47 1kpp h ILE 128 CO -0.03 0.49 0.28 -0.61 -0.68 0.00 0.00 178.15 177.60 1kpp h GLN 129 N 0.00 0.75 -0.68 2.37 -0.00 -1.14 -0.50 115.11 115.92 1kpp h GLN 129 Ca -0.19 -0.08 -0.08 0.00 -0.00 0.00 0.00 58.65 58.30 1kpp h GLN 129 Cb 1.80 -0.15 -0.03 0.00 0.00 0.00 0.00 27.48 29.10 1kpp h GLN 129 CO 0.07 0.57 0.11 -0.24 0.00 0.00 0.00 178.83 179.34 1kpp h VAL 130 N 0.75 1.26 -0.25 2.39 3.04 -1.52 -3.02 116.25 118.92 1kpp h VAL 130 Ca 0.19 -1.05 -0.08 0.00 -1.01 0.00 0.00 66.70 64.76 1kpp h VAL 130 Cb 0.05 0.63 -0.01 0.00 -2.01 0.00 0.00 31.29 29.95 1kpp h VAL 130 CO -0.03 0.39 -0.15 0.24 -1.01 0.00 0.00 177.57 177.02 1kpp h MET 131 N 1.05 0.54 -0.33 4.17 2.86 -1.50 -0.85 114.93 120.86 1kpp h MET 131 Ca 0.21 -0.25 0.10 0.00 -2.06 0.00 0.00 59.70 57.69 1kpp h MET 131 Cb 0.45 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.09 1kpp h MET 131 CO 0.01 0.81 0.44 0.97 1.06 0.00 0.00 176.91 180.21 1kpp h ILE 132 N 0.25 0.29 0.00 -1.22 2.10 -0.99 0.92 117.51 118.85 1kpp h ILE 132 Ca 0.05 0.00 -0.11 0.00 1.08 0.00 0.00 64.86 65.88 1kpp h ILE 132 Cb 0.67 0.63 -0.02 0.00 -1.09 0.00 0.00 36.82 37.01 1kpp h ILE 132 CO 0.04 0.00 -1.01 0.52 -1.08 0.00 0.00 178.15 176.63 1kpp n VAL 133 N -3.52 1.47 -0.13 2.19 0.31 -1.08 -2.47 118.33 115.10 1kpp n VAL 133 Ca 0.06 0.08 -0.05 0.00 -0.01 0.00 0.00 64.34 64.41 1kpp n VAL 133 Cb 0.59 -2.24 0.03 0.00 -0.91 0.00 0.00 33.84 31.31 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 0.90 0.00 2.52 2.07 -0.73 -1.20 116.25 118.81 1kpp h VAL 134 Ca -0.16 -0.12 -0.12 0.00 0.82 0.00 0.00 66.70 67.12 1kpp h VAL 134 Cb 0.91 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 1kpp h VAL 134 CO -0.10 0.06 -0.58 -0.26 0.02 0.00 0.00 177.57 176.71 1kpp h PHE 135 N 0.35 0.00 0.00 1.57 -1.00 0.64 -2.99 116.94 115.51 1kpp h PHE 135 Ca 0.19 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.97 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 -0.14 0.58 0.00 0.78 -1.61 0.00 0.00 178.31 177.92 1kpp h GLY 136 N 2.40 0.00 0.09 -1.45 0.00 -0.91 -3.04 103.07 100.15 1kpp h GLY 136 Ca -0.01 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.08 1kpp h GLY 136 CO 0.08 0.00 -1.35 -1.80 0.00 0.00 0.00 176.54 173.47 1kpp h ASP 137 N 0.00 0.06 -3.73 0.19 1.82 -1.25 -3.44 116.42 110.08 1kpp h ASP 137 Ca 0.00 -0.57 -0.04 0.00 -0.39 0.00 0.00 57.03 56.03 1kpp h ASP 137 Cb 0.25 -0.02 -0.22 0.00 0.68 0.00 0.00 39.33 40.03 1kpp h ASP 137 CO 0.00 1.54 0.05 -1.61 -1.61 0.00 0.00 179.24 177.61 1kpp s GLU 138 N -2.39 0.76 -0.41 0.28 0.41 -1.15 -4.99 118.70 111.21 1kpp s GLU 138 Ca -0.28 1.00 -0.30 0.00 -0.41 0.00 0.00 54.97 54.99 1kpp s GLU 138 Cb 0.06 0.31 -0.09 0.00 -1.78 0.00 0.00 34.13 32.63 1kpp s GLU 138 CO 0.62 -0.11 2.32 -2.30 -0.49 0.00 0.00 175.26 175.30 1kpp n PRO 139 N 3.14 1.24 0.09 0.39 -0.02 -1.26 -4.50 135.00 134.08 1kpp n PRO 139 Ca -0.16 0.24 0.09 0.00 -2.02 0.00 0.00 63.50 61.66 1kpp n PRO 139 Cb 0.56 -2.94 0.40 0.00 -0.02 0.00 0.00 33.50 31.50 1kpp n PRO 139 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1kpp n PRO 140 N 8.66 0.11 0.06 0.52 -0.02 -1.26 -1.92 135.00 141.14 1kpp n PRO 140 Ca 0.39 0.43 0.13 0.00 -2.02 0.00 0.00 63.50 62.42 1kpp n PRO 140 Cb 0.38 -1.74 0.33 0.00 -0.02 0.00 0.00 33.50 32.45 1kpp n PRO 140 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1kpp n VAL 141 N -1.95 0.32 -0.95 -1.45 0.31 -1.26 -2.76 118.33 110.59 1kpp n VAL 141 Ca 0.01 -0.19 -0.30 0.00 -0.01 0.00 0.00 64.34 63.85 1kpp n VAL 141 Cb 0.14 -0.28 0.26 0.00 -0.91 0.00 0.00 33.84 33.05 1kpp n VAL 141 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 1kpp s PHE 142 N -3.09 -0.03 -0.67 3.52 5.36 -0.81 -0.22 117.98 122.04 1kpp s PHE 142 Ca 0.10 0.41 -0.00 0.00 -0.96 0.00 0.00 56.93 56.47 1kpp s PHE 142 Cb 0.15 -3.39 0.42 0.00 -0.34 0.00 0.00 43.02 39.85 1kpp s PHE 142 CO 0.65 -4.25 1.86 0.45 -1.46 0.00 0.00 175.22 172.46 1kpp n SER 143 N -5.02 7.09 -1.46 6.13 2.88 -1.26 -0.22 113.62 121.76 1kpp n SER 143 Ca 0.15 -3.80 0.08 0.00 -1.33 0.00 0.00 58.87 53.97 1kpp n SER 143 Cb 0.60 -0.89 -0.05 0.00 -0.75 0.00 0.00 64.21 63.12 1kpp n SER 143 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1kpp n ARG 144 N -0.73 -3.64 0.00 -1.46 1.74 -1.26 -4.96 116.66 106.35 1kpp n ARG 144 Ca 0.56 2.89 0.00 0.00 -0.77 0.00 0.00 57.85 60.53 1kpp n ARG 144 Cb 0.55 -3.84 0.00 0.00 -1.02 0.00 0.00 32.46 28.15 1kpp n ARG 144 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81