#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kc1 s ILE -4 N 0.00 5.18 -0.09 -0.61 1.01 -1.26 -5.01 121.20 120.43 2kc1 s ILE -4 Ca 0.00 0.97 -0.32 0.00 0.00 0.00 0.00 60.65 61.30 2kc1 s ILE -4 Cb 0.00 -3.83 -0.10 0.00 0.01 0.00 0.00 42.46 38.54 2kc1 s ILE -4 CO 0.00 0.31 1.97 -0.67 0.00 0.00 0.00 174.94 176.55 2kc1 n ASP -3 N 3.75 3.55 -4.69 3.58 2.03 -1.26 -4.90 116.55 118.60 2kc1 n ASP -3 Ca -0.07 0.83 -0.32 0.00 0.52 0.00 0.00 54.79 55.76 2kc1 n ASP -3 Cb 0.52 -1.43 0.14 0.00 -0.72 0.00 0.00 41.12 39.63 2kc1 n ASP -3 CO 0.00 0.00 0.00 -2.84 -1.92 0.00 0.00 177.20 172.44 2kc1 s PRO -2 N 4.58 1.38 -0.02 -0.67 0.02 -1.26 -4.81 135.00 134.23 2kc1 s PRO -2 Ca 0.94 1.59 0.14 0.00 0.02 0.00 0.00 61.00 63.69 2kc1 s PRO -2 Cb -0.59 -1.76 0.43 0.00 0.02 0.00 0.00 34.50 32.59 2kc1 s PRO -2 CO 0.47 -2.37 1.35 1.97 -0.33 0.00 0.00 177.00 178.09 2kc1 n PHE -1 N -3.80 0.67 -1.71 6.54 1.16 -1.26 -4.74 117.46 114.32 2kc1 n PHE -1 Ca 0.12 -0.53 -0.39 0.00 -1.87 0.00 0.00 57.45 54.79 2kc1 n PHE -1 Cb 0.52 -0.05 0.04 0.00 -1.61 0.00 0.00 39.48 38.38 2kc1 n PHE -1 CO 0.00 0.00 0.00 2.41 -1.87 0.00 0.00 176.76 177.30 2kc1 n THR 0 N 0.77 3.78 -3.99 1.97 -1.04 -1.26 -4.57 114.28 109.95 2kc1 n THR 0 Ca 0.16 -0.50 0.02 0.00 -2.04 0.00 0.00 64.05 61.69 2kc1 n THR 0 Cb 0.53 -1.54 -0.00 0.00 -1.82 0.00 0.00 70.33 67.50 2kc1 n THR 0 CO 0.00 0.00 0.00 0.23 -0.64 0.00 0.00 175.07 174.66 2kc1 n MET 1 N -0.98 -0.24 -1.39 -2.82 2.81 -1.26 -3.76 117.12 109.48 2kc1 n MET 1 Ca 0.11 0.16 -0.26 0.00 -1.81 0.00 0.00 57.70 55.89 2kc1 n MET 1 Cb 0.45 -0.29 -0.08 0.00 -0.71 0.00 0.00 33.22 32.59 2kc1 n MET 1 CO 0.00 0.00 0.00 1.33 1.51 0.00 0.00 175.97 178.81 2kc1 n VAL 2 N -1.34 3.73 -2.37 2.03 0.24 -1.26 -4.95 118.33 114.41 2kc1 n VAL 2 Ca 0.00 -2.69 -0.41 0.00 -2.04 0.00 0.00 64.34 59.20 2kc1 n VAL 2 Cb 0.05 -1.97 -0.03 0.00 -1.47 0.00 0.00 33.84 30.42 2kc1 n VAL 2 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2kc1 s ALA 3 N -0.12 3.44 -0.60 2.33 0.00 -1.25 -4.38 121.76 121.19 2kc1 s ALA 3 Ca 0.62 0.94 -0.27 0.00 0.00 0.00 0.00 51.96 53.26 2kc1 s ALA 3 Cb 0.29 -3.43 0.04 0.00 0.00 0.00 0.00 23.12 20.02 2kc1 s ALA 3 CO -0.10 -0.40 1.11 -0.51 0.00 0.00 0.00 175.76 175.87 2kc1 s LEU 4 N 0.10 3.66 -0.64 0.00 1.02 0.22 -4.80 118.68 118.24 2kc1 s LEU 4 Ca 0.55 -0.16 -0.28 0.00 0.02 0.00 0.00 54.13 54.26 2kc1 s LEU 4 Cb -0.32 -2.95 0.03 0.00 0.02 0.00 0.00 46.19 42.97 2kc1 s LEU 4 CO 0.35 -1.45 1.25 -0.44 0.02 0.00 0.00 176.35 176.08 2kc1 s SER 5 N 3.06 6.30 0.23 2.29 0.01 -1.26 -1.22 113.70 123.11 2kc1 s SER 5 Ca 0.37 -0.11 0.10 0.00 1.31 0.00 0.00 55.95 57.62 2kc1 s SER 5 Cb -0.10 -2.56 -0.05 0.00 0.21 0.00 0.00 66.02 63.53 2kc1 s SER 5 CO 0.21 -1.65 -0.18 -0.76 0.41 0.00 0.00 173.24 171.27 2kc1 s LEU 6 N 5.38 2.54 -0.32 2.44 1.02 0.55 0.32 118.68 130.62 2kc1 s LEU 6 Ca 0.40 -0.99 -0.16 0.00 0.02 0.00 0.00 54.13 53.41 2kc1 s LEU 6 Cb -0.08 -0.93 -0.02 0.00 0.02 0.00 0.00 46.19 45.18 2kc1 s LEU 6 CO 0.21 -0.03 0.40 -0.54 0.02 0.00 0.00 176.35 176.41 2kc1 s LYS 7 N -3.38 3.74 -0.37 1.70 1.02 0.48 -0.23 119.74 122.70 2kc1 s LYS 7 Ca 0.25 -0.19 -0.16 0.00 0.02 0.00 0.00 55.97 55.89 2kc1 s LYS 7 Cb -0.04 -3.75 0.00 0.00 -0.52 0.00 0.00 37.83 33.52 2kc1 s LYS 7 CO 0.11 -0.46 0.37 0.42 -0.92 0.00 0.00 175.35 174.86 2kc1 s ILE 8 N 2.13 5.16 -0.49 2.17 -1.09 0.19 -0.81 121.20 128.47 2kc1 s ILE 8 Ca 0.15 -0.15 -0.15 0.00 -2.23 0.00 0.00 60.65 58.26 2kc1 s ILE 8 Cb -0.16 -3.89 0.09 0.00 -1.58 0.00 0.00 42.46 36.92 2kc1 s ILE 8 CO 0.11 -0.20 0.42 -0.55 -1.23 0.00 0.00 174.94 173.49 2kc1 s SER 9 N 1.75 6.15 -0.63 3.58 0.15 -0.14 -0.47 113.70 124.09 2kc1 s SER 9 Ca 0.11 -1.45 -0.22 0.00 0.70 0.00 0.00 55.95 55.08 2kc1 s SER 9 Cb -0.17 -2.19 0.07 0.00 -1.71 0.00 0.00 66.02 62.03 2kc1 s SER 9 CO 0.12 -0.70 0.90 -0.63 1.20 0.00 0.00 173.24 174.13 2kc1 s ILE 10 N 1.63 4.44 0.00 6.45 1.01 0.46 -0.61 121.20 134.57 2kc1 s ILE 10 Ca 0.04 -0.43 0.00 0.00 0.00 0.00 0.00 60.65 60.26 2kc1 s ILE 10 Cb -0.26 -4.62 0.00 0.00 0.01 0.00 0.00 42.46 37.59 2kc1 s ILE 10 CO 0.06 -1.34 0.00 0.61 0.00 0.00 0.00 174.94 174.26 2kc1 n GLY 11 N 5.30 1.57 0.00 6.18 0.00 -1.16 -1.70 105.19 115.38 2kc1 n GLY 11 Ca -0.05 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.23 2kc1 n GLY 11 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2kc1 n ASN 12 N 4.42 0.25 -4.56 1.61 6.94 -1.26 -5.05 115.26 117.62 2kc1 n ASN 12 Ca 0.00 -0.95 -0.39 0.00 -0.02 0.00 0.00 54.58 53.22 2kc1 n ASN 12 Cb 0.00 0.01 -0.11 0.00 -2.36 0.00 0.00 39.78 37.32 2kc1 n ASN 12 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 2kc1 s VAL 13 N -0.01 5.20 -0.18 3.53 1.01 -0.69 -5.07 120.40 124.19 2kc1 s VAL 13 Ca 0.00 0.01 -0.07 0.00 0.00 0.00 0.00 61.98 61.92 2kc1 s VAL 13 Cb 0.00 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.80 2kc1 s VAL 13 CO 0.00 0.17 0.05 -0.69 0.00 0.00 0.00 175.10 174.63 2kc1 s VAL 14 N 1.73 4.66 -0.00 2.92 1.01 -1.26 -0.41 120.40 129.06 2kc1 s VAL 14 Ca 0.07 -0.08 0.05 0.00 0.00 0.00 0.00 61.98 62.02 2kc1 s VAL 14 Cb -0.16 -3.10 -0.01 0.00 0.00 0.00 0.00 36.38 33.10 2kc1 s VAL 14 CO 0.10 0.45 -0.15 -0.54 0.00 0.00 0.00 175.10 174.97 2kc1 s LYS 15 N 0.46 1.18 -0.23 2.72 3.01 0.38 -4.94 119.74 122.32 2kc1 s LYS 15 Ca 0.02 -0.58 -0.23 0.00 -1.01 0.00 0.00 55.97 54.18 2kc1 s LYS 15 Cb -0.13 -1.15 -0.01 0.00 -1.01 0.00 0.00 37.83 35.52 2kc1 s LYS 15 CO 0.01 0.31 0.73 0.99 0.51 0.00 0.00 175.35 177.90 2kc1 s THR 16 N -0.44 4.92 0.03 2.17 2.01 -1.26 0.55 115.64 123.63 2kc1 s THR 16 Ca 0.05 1.37 0.06 0.00 0.31 0.00 0.00 61.69 63.48 2kc1 s THR 16 Cb -0.06 -4.03 -0.02 0.00 0.01 0.00 0.00 72.50 68.40 2kc1 s THR 16 CO -0.00 0.00 -0.18 -0.04 -0.69 0.00 0.00 174.62 173.72 2kc1 s MET 17 N 2.48 1.23 -0.30 4.92 -1.94 0.69 -4.81 119.30 121.57 2kc1 s MET 17 Ca 0.31 -0.80 -0.04 0.00 -1.71 0.00 0.00 55.69 53.45 2kc1 s MET 17 Cb -0.16 -1.27 0.03 0.00 2.01 0.00 0.00 34.83 35.44 2kc1 s MET 17 CO 0.09 0.33 0.03 -0.65 -0.01 0.00 0.00 175.02 174.81 2kc1 s GLN 18 N -0.98 2.75 0.37 2.03 -0.21 -1.26 -0.33 119.66 122.04 2kc1 s GLN 18 Ca 0.05 -1.07 0.06 0.00 0.02 0.00 0.00 55.36 54.43 2kc1 s GLN 18 Cb -0.08 -3.26 -0.00 0.00 1.00 0.00 0.00 33.01 30.67 2kc1 s GLN 18 CO 0.01 -0.53 0.53 -0.06 -2.12 0.00 0.00 175.29 173.12 2kc1 s PHE 19 N 1.37 3.05 0.25 0.91 0.08 -0.35 -4.73 117.98 118.57 2kc1 s PHE 19 Ca -0.01 -0.20 -0.17 0.00 0.12 0.00 0.00 56.93 56.68 2kc1 s PHE 19 Cb -0.18 -2.14 -0.08 0.00 -0.57 0.00 0.00 43.02 40.04 2kc1 s PHE 19 CO 0.00 -0.17 0.70 -1.21 -0.10 0.00 0.00 175.22 174.44 2kc1 s GLU 20 N -4.28 4.10 0.50 0.44 2.02 -1.26 0.73 118.70 120.96 2kc1 s GLU 20 Ca 0.48 0.72 0.18 0.00 0.02 0.00 0.00 54.97 56.37 2kc1 s GLU 20 Cb -0.10 -2.70 1.26 0.00 0.10 0.00 0.00 34.13 32.70 2kc1 s GLU 20 CO 0.33 0.31 2.10 -1.00 0.02 0.00 0.00 175.26 177.01 2kc1 h PRO 21 N 2.94 0.00 -0.01 0.39 0.13 -1.97 -1.48 132.00 132.00 2kc1 h PRO 21 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2kc1 h PRO 21 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2kc1 h PRO 21 CO 0.66 0.08 -0.04 -1.13 -0.23 0.00 0.00 178.00 177.34 2kc1 n SER 22 N -4.27 0.67 -4.73 1.44 3.41 -1.26 -2.46 113.62 106.42 2kc1 n SER 22 Ca -0.03 -1.04 -0.41 0.00 -0.26 0.00 0.00 58.87 57.13 2kc1 n SER 22 Cb 0.16 -0.02 -0.03 0.00 -0.26 0.00 0.00 64.21 64.06 2kc1 n SER 22 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2kc1 s THR 23 N -2.15 3.88 0.61 6.66 2.01 -0.56 -4.86 115.64 121.23 2kc1 s THR 23 Ca 0.39 1.49 -0.13 0.00 0.31 0.00 0.00 61.69 63.75 2kc1 s THR 23 Cb 0.21 -3.95 -0.04 0.00 0.01 0.00 0.00 72.50 68.73 2kc1 s THR 23 CO 0.39 0.19 1.03 -0.04 -0.69 0.00 0.00 174.62 175.50 2kc1 s MET 24 N 0.26 3.49 0.14 4.92 -1.94 -1.26 -0.46 119.30 124.44 2kc1 s MET 24 Ca 0.54 0.89 -0.17 0.00 -1.71 0.00 0.00 55.69 55.25 2kc1 s MET 24 Cb -0.30 -2.07 -0.01 0.00 2.01 0.00 0.00 34.83 34.46 2kc1 s MET 24 CO 0.33 -0.65 1.74 0.28 -0.01 0.00 0.00 175.02 176.71 2kc1 h VAL 25 N -0.05 1.15 0.00 -6.03 2.07 -0.43 0.26 116.25 113.22 2kc1 h VAL 25 Ca -0.45 -0.38 -0.04 0.00 0.82 0.00 0.00 66.70 66.65 2kc1 h VAL 25 Cb 1.20 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 2kc1 h VAL 25 CO 0.60 0.15 -0.19 0.10 0.02 0.00 0.00 177.57 178.26 2kc1 h TYR 26 N 0.47 0.00 0.09 1.57 -0.00 -1.77 -0.25 116.97 117.08 2kc1 h TYR 26 Ca 0.13 0.00 -0.28 0.00 -0.00 0.00 0.00 58.73 58.59 2kc1 h TYR 26 Cb 0.06 0.00 0.02 0.00 -0.00 0.00 0.00 36.73 36.81 2kc1 h TYR 26 CO -0.03 0.19 -1.17 0.22 -0.00 0.00 0.00 178.16 177.37 2kc1 h ASP 27 N 0.00 0.69 -0.71 0.10 3.58 -1.61 -1.85 116.42 116.61 2kc1 h ASP 27 Ca -0.00 -0.63 -0.05 0.00 0.42 0.00 0.00 57.03 56.77 2kc1 h ASP 27 Cb 0.35 -0.22 -0.03 0.00 1.72 0.00 0.00 39.33 41.15 2kc1 h ASP 27 CO 0.02 1.45 0.27 0.00 -2.88 0.00 0.00 179.24 178.10 2kc1 h ALA 28 N 0.48 1.10 -0.92 -0.78 0.00 -0.00 0.20 119.26 119.33 2kc1 h ALA 28 Ca -0.15 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.58 2kc1 h ALA 28 Cb 1.84 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 19.30 2kc1 h ALA 28 CO 0.21 0.63 0.60 0.00 0.00 0.00 0.00 179.25 180.70 2kc1 h ARG 30 N 1.22 1.00 -0.75 0.00 2.43 -0.51 -1.89 114.38 115.89 2kc1 h ARG 30 Ca 0.34 -0.29 0.01 0.00 -0.81 0.00 0.00 59.98 59.23 2kc1 h ARG 30 Cb -0.10 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.31 2kc1 h ARG 30 CO -0.09 0.97 0.49 0.52 -1.51 0.00 0.00 179.97 180.36 2kc1 h MET 31 N 0.93 0.97 -0.48 0.20 2.86 0.23 0.11 114.93 119.74 2kc1 h MET 31 Ca 0.17 -0.06 -0.12 0.00 -2.06 0.00 0.00 59.70 57.64 2kc1 h MET 31 Cb 0.50 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 31.92 2kc1 h MET 31 CO 0.02 0.64 -0.16 0.82 1.06 0.00 0.00 176.91 179.29 2kc1 h ILE 32 N 1.00 1.27 0.00 -1.22 2.04 -0.87 0.23 117.51 119.95 2kc1 h ILE 32 Ca 0.28 -1.30 -0.00 0.00 1.00 0.00 0.00 64.86 64.83 2kc1 h ILE 32 Cb -0.09 1.06 -0.00 0.00 -0.74 0.00 0.00 36.82 37.05 2kc1 h ILE 32 CO -0.06 0.45 -0.02 0.03 0.00 0.00 0.00 178.15 178.54 2kc1 h ARG 33 N 0.82 0.00 0.10 2.37 3.08 -0.35 0.65 114.38 121.05 2kc1 h ARG 33 Ca 0.12 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 60.00 2kc1 h ARG 33 Cb 0.71 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.77 2kc1 h ARG 33 CO 0.05 0.02 -0.71 0.93 -1.07 0.00 0.00 179.97 179.19 2kc1 h GLU 34 N 0.00 0.31 0.06 0.04 4.39 -0.10 -3.38 114.58 115.88 2kc1 h GLU 34 Ca -0.00 -0.46 -0.00 0.00 0.34 0.00 0.00 59.36 59.23 2kc1 h GLU 34 Cb 0.04 0.16 0.00 0.00 -0.10 0.00 0.00 28.75 28.85 2kc1 h GLU 34 CO 0.00 1.19 -0.03 -0.09 -1.16 0.00 0.00 179.01 178.93 2kc1 h ARG 35 N -0.35 -0.07 -5.32 2.33 9.65 -0.09 -3.44 114.38 117.09 2kc1 h ARG 35 Ca -0.12 0.01 -0.66 0.00 -1.10 0.00 0.00 59.98 58.11 2kc1 h ARG 35 Cb 1.52 0.02 -0.28 0.00 -1.39 0.00 0.00 29.97 29.84 2kc1 h ARG 35 CO 0.14 0.49 -0.79 0.42 2.80 0.00 0.00 179.97 183.03 2kc1 s ILE 36 N -3.58 2.87 0.02 1.20 1.01 0.22 -5.00 121.20 117.95 2kc1 s ILE 36 Ca -0.15 -0.73 0.32 0.00 0.00 0.00 0.00 60.65 60.09 2kc1 s ILE 36 Cb 0.00 -2.19 0.36 0.00 0.01 0.00 0.00 42.46 40.65 2kc1 s ILE 36 CO 0.61 0.53 1.95 1.55 0.00 0.00 0.00 174.94 179.58 2kc1 h PRO 37 N 6.71 0.00 -0.60 2.79 0.13 -1.79 -3.16 132.00 136.09 2kc1 h PRO 37 Ca -0.24 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.91 2kc1 h PRO 37 Cb 1.22 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.31 2kc1 h PRO 37 CO 0.54 0.00 0.36 1.49 -0.23 0.00 0.00 178.00 180.16 2kc1 h GLU 38 N 0.00 0.68 0.00 0.86 4.57 -1.89 -1.05 114.58 117.76 2kc1 h GLU 38 Ca 0.00 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 2kc1 h GLU 38 Cb 0.44 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 28.87 2kc1 h GLU 38 CO 0.00 0.45 0.00 0.00 -1.18 0.00 0.00 179.01 178.28 2kc1 n ALA 39 N -2.30 1.87 1.21 2.92 0.00 -1.19 -2.45 120.51 120.57 2kc1 n ALA 39 Ca 0.05 -0.07 0.11 0.00 0.00 0.00 0.00 53.44 53.54 2kc1 n ALA 39 Cb 0.09 -1.29 0.61 0.00 0.00 0.00 0.00 19.45 18.86 2kc1 n ALA 39 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2kc1 n LEU 40 N -1.42 0.00 -1.04 0.00 4.77 -0.40 -1.93 117.00 116.98 2kc1 n LEU 40 Ca 0.06 0.16 0.10 0.00 -0.03 0.00 0.00 56.01 56.30 2kc1 n LEU 40 Cb 0.18 -0.16 0.21 0.00 -2.33 0.00 0.00 43.42 41.33 2kc1 n LEU 40 CO 0.15 -0.04 0.68 0.00 -1.33 0.00 0.00 177.39 176.85 2kc1 n ALA 41 N -1.16 2.37 -3.78 -1.18 0.00 -1.03 -4.92 120.51 110.81 2kc1 n ALA 41 Ca 0.13 -1.07 -0.24 0.00 0.00 0.00 0.00 53.44 52.27 2kc1 n ALA 41 Cb 0.13 -0.75 -0.17 0.00 0.00 0.00 0.00 19.45 18.66 2kc1 n ALA 41 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2kc1 s GLY 42 N -1.22 0.57 0.24 0.00 0.00 -0.81 -5.13 107.32 100.97 2kc1 s GLY 42 Ca 0.36 -0.24 -0.17 0.00 0.00 0.00 0.00 44.72 44.67 2kc1 s GLY 42 CO 0.27 0.91 0.70 2.56 0.00 0.00 0.00 173.10 177.55 2kc1 s PRO 43 N 1.70 4.14 0.00 2.90 0.04 -1.26 -4.90 135.00 137.62 2kc1 s PRO 43 Ca 0.02 0.75 0.19 0.00 0.04 0.00 0.00 61.00 62.00 2kc1 s PRO 43 Cb -0.13 -2.75 1.01 0.00 0.04 0.00 0.00 34.50 32.67 2kc1 s PRO 43 CO -0.05 0.33 1.59 -2.30 0.04 0.00 0.00 177.00 176.61 2kc1 n PRO 44 N 0.39 0.34 0.16 0.56 -0.02 -1.26 -0.52 135.00 134.65 2kc1 n PRO 44 Ca -0.01 0.09 0.09 0.00 -2.02 0.00 0.00 63.50 61.64 2kc1 n PRO 44 Cb 0.52 -1.50 0.08 0.00 -0.02 0.00 0.00 33.50 32.57 2kc1 n PRO 44 CO 0.00 0.00 0.00 -0.97 1.98 0.00 0.00 175.50 176.51 2kc1 h ASN 45 N 0.00 0.00 0.00 2.55 -0.73 -2.03 -3.37 115.58 112.00 2kc1 h ASN 45 Ca 0.00 0.00 -0.27 0.00 1.87 0.00 0.00 56.30 57.90 2kc1 h ASN 45 Cb 0.15 0.00 -0.05 0.00 0.27 0.00 0.00 38.32 38.69 2kc1 h ASN 45 CO 0.00 0.16 -2.03 -0.67 -0.37 0.00 0.00 177.43 174.52 2kc1 n ASP 46 N -3.01 2.55 -4.91 1.15 2.03 -0.31 -4.99 116.55 109.06 2kc1 n ASP 46 Ca 0.01 -0.09 -0.21 0.00 0.52 0.00 0.00 54.79 55.02 2kc1 n ASP 46 Cb 0.61 -0.24 -0.03 0.00 -0.72 0.00 0.00 41.12 40.74 2kc1 n ASP 46 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 2kc1 s PHE 47 N -2.36 3.11 0.24 -0.67 0.40 0.32 -1.56 117.98 117.46 2kc1 s PHE 47 Ca -0.24 -0.18 -0.17 0.00 -0.60 0.00 0.00 56.93 55.74 2kc1 s PHE 47 Cb 0.06 -1.71 0.01 0.00 0.51 0.00 0.00 43.02 41.89 2kc1 s PHE 47 CO 0.43 0.26 0.57 0.20 0.70 0.00 0.00 175.22 177.38 2kc1 s GLY 48 N -4.00 0.14 -0.09 4.36 0.00 0.69 -4.36 107.32 104.05 2kc1 s GLY 48 Ca 0.39 -0.49 -0.19 0.00 0.00 0.00 0.00 44.72 44.43 2kc1 s GLY 48 CO 0.28 -0.33 0.51 1.08 0.00 0.00 0.00 173.10 174.64 2kc1 s LEU 49 N -2.94 4.32 -0.30 0.66 1.43 -1.26 -2.29 118.68 118.30 2kc1 s LEU 49 Ca 0.15 0.92 -0.05 0.00 -1.03 0.00 0.00 54.13 54.12 2kc1 s LEU 49 Cb -0.03 -2.76 0.03 0.00 0.03 0.00 0.00 46.19 43.46 2kc1 s LEU 49 CO 0.05 0.03 0.04 0.12 0.23 0.00 0.00 176.35 176.82 2kc1 s PHE 50 N 0.39 3.17 -0.68 0.29 5.36 -0.44 -1.31 117.98 124.77 2kc1 s PHE 50 Ca 0.28 -1.36 -0.27 0.00 -0.96 0.00 0.00 56.93 54.62 2kc1 s PHE 50 Cb -0.16 -2.19 0.02 0.00 -0.34 0.00 0.00 43.02 40.35 2kc1 s PHE 50 CO 0.12 -0.68 1.34 -1.17 -1.46 0.00 0.00 175.22 173.37 2kc1 s LEU 51 N 1.40 3.25 -0.02 6.12 0.20 0.11 -0.40 118.68 129.33 2kc1 s LEU 51 Ca -0.00 -0.20 -0.25 0.00 0.69 0.00 0.00 54.13 54.37 2kc1 s LEU 51 Cb -0.18 -2.71 -0.04 0.00 -0.43 0.00 0.00 46.19 42.83 2kc1 s LEU 51 CO 0.00 -1.82 0.78 -0.44 -0.29 0.00 0.00 176.35 174.58 2kc1 s SER 52 N 4.12 7.13 -0.62 3.68 0.01 -0.93 -1.44 113.70 125.64 2kc1 s SER 52 Ca 0.41 1.36 0.00 0.00 1.31 0.00 0.00 55.95 59.03 2kc1 s SER 52 Cb -0.09 -2.46 0.43 0.00 0.21 0.00 0.00 66.02 64.12 2kc1 s SER 52 CO 0.18 -0.11 1.83 -0.67 0.41 0.00 0.00 173.24 174.88 2kc1 n ASP 53 N 3.55 7.02 0.00 2.44 2.03 -1.26 -4.53 116.55 125.80 2kc1 n ASP 53 Ca 0.00 -3.79 0.00 0.00 0.52 0.00 0.00 54.79 51.52 2kc1 n ASP 53 Cb 0.51 -0.85 0.00 0.00 -0.72 0.00 0.00 41.12 40.06 2kc1 n ASP 53 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2kc1 n ASP 54 N -0.79 0.00 -4.72 1.67 2.03 -1.26 -4.85 116.55 108.62 2kc1 n ASP 54 Ca 0.57 0.00 -0.40 0.00 0.52 0.00 0.00 54.79 55.48 2kc1 n ASP 54 Cb 0.64 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 41.00 2kc1 n ASP 54 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2kc1 s ASP 55 N 0.00 7.11 0.50 1.67 -1.08 -1.26 -4.97 116.67 118.64 2kc1 s ASP 55 Ca 0.00 1.34 0.24 0.00 -0.52 0.00 0.00 52.55 53.61 2kc1 s ASP 55 Cb 0.00 -2.45 1.32 0.00 -1.46 0.00 0.00 42.92 40.33 2kc1 s ASP 55 CO 0.00 -0.10 2.04 1.55 0.52 0.00 0.00 175.17 179.18 2kc1 h PRO 56 N 6.43 0.00 0.00 4.34 0.13 -1.95 -2.45 132.00 138.50 2kc1 h PRO 56 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2kc1 h PRO 56 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2kc1 h PRO 56 CO 0.74 0.15 -0.80 -0.22 -0.23 0.00 0.00 178.00 177.63 2kc1 h LYS 57 N 0.00 0.00 -0.01 0.86 1.63 -1.97 -2.99 116.57 114.10 2kc1 h LYS 57 Ca -0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2kc1 h LYS 57 Cb 0.36 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.99 2kc1 h LYS 57 CO 0.02 0.00 -0.12 1.63 -3.45 0.00 0.00 179.45 177.53 2kc1 n LYS 58 N -2.59 1.05 -3.10 1.90 5.02 -0.95 -4.88 118.16 114.60 2kc1 n LYS 58 Ca 0.01 -0.52 -0.31 0.00 -2.02 0.00 0.00 58.31 55.47 2kc1 n LYS 58 Cb 0.52 -1.49 -0.04 0.00 -0.02 0.00 0.00 35.03 34.00 2kc1 n LYS 58 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2kc1 s GLY 59 N -2.31 2.10 0.25 0.72 0.00 -1.01 -4.40 107.32 102.67 2kc1 s GLY 59 Ca 0.31 -0.19 0.02 0.00 0.00 0.00 0.00 44.72 44.86 2kc1 s GLY 59 CO 0.44 -0.02 0.05 -0.26 0.00 0.00 0.00 173.10 173.32 2kc1 s ILE 60 N -2.12 0.78 -0.12 0.90 -4.36 -0.52 -4.94 121.20 110.80 2kc1 s ILE 60 Ca 0.50 -2.00 -0.11 0.00 -0.26 0.00 0.00 60.65 58.78 2kc1 s ILE 60 Cb -0.10 -2.50 -0.05 0.00 1.25 0.00 0.00 42.46 41.06 2kc1 s ILE 60 CO 0.25 -0.16 0.24 0.26 0.24 0.00 0.00 174.94 175.77 2kc1 s TRP 61 N -3.60 3.55 -0.02 1.37 0.52 -1.26 0.07 118.94 119.57 2kc1 s TRP 61 Ca 0.33 0.61 -0.21 0.00 0.02 0.00 0.00 56.10 56.85 2kc1 s TRP 61 Cb 0.07 -2.18 -0.05 0.00 -1.15 0.00 0.00 33.47 30.16 2kc1 s TRP 61 CO 0.11 0.48 0.61 -0.51 0.02 0.00 0.00 176.95 177.66 2kc1 s LEU 62 N -0.32 4.39 0.12 2.99 1.02 -0.42 -4.94 118.68 121.53 2kc1 s LEU 62 Ca 0.16 1.16 -0.25 0.00 0.02 0.00 0.00 54.13 55.22 2kc1 s LEU 62 Cb -0.13 -2.95 -0.07 0.00 0.02 0.00 0.00 46.19 43.06 2kc1 s LEU 62 CO 0.05 0.06 0.76 -1.61 0.02 0.00 0.00 176.35 175.63 2kc1 s GLU 63 N 0.02 4.52 0.36 1.70 2.02 -1.26 -4.45 118.70 121.61 2kc1 s GLU 63 Ca 0.32 1.10 0.09 0.00 0.02 0.00 0.00 54.97 56.50 2kc1 s GLU 63 Cb -0.18 -3.29 0.82 0.00 0.10 0.00 0.00 34.13 31.58 2kc1 s GLU 63 CO 0.17 0.49 1.87 0.00 0.02 0.00 0.00 175.26 177.82 2kc1 h ALA 64 N 4.73 1.83 -0.14 5.21 0.00 -1.94 -0.31 119.26 128.63 2kc1 h ALA 64 Ca -0.46 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2kc1 h ALA 64 Cb 1.21 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2kc1 h ALA 64 CO 0.67 -0.07 0.00 0.41 0.00 0.00 0.00 179.25 180.27 2kc1 n GLY 65 N -1.43 -0.20 3.87 0.00 0.00 -1.26 -2.86 105.19 103.31 2kc1 n GLY 65 Ca 0.17 -0.25 -0.21 0.00 0.00 0.00 0.00 46.02 45.73 2kc1 n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kc1 s LYS 66 N -1.81 2.84 0.34 1.61 -0.14 -0.13 -4.97 119.74 117.49 2kc1 s LYS 66 Ca 0.22 -1.19 0.07 0.00 -1.36 0.00 0.00 55.97 53.70 2kc1 s LYS 66 Cb 0.11 -2.55 -0.01 0.00 -1.68 0.00 0.00 37.83 33.70 2kc1 s LYS 66 CO 0.17 0.17 0.47 0.00 -0.76 0.00 0.00 175.35 175.39 2kc1 s ALA 67 N -2.24 4.25 0.10 5.17 0.00 -1.26 0.08 121.76 127.86 2kc1 s ALA 67 Ca 0.39 -1.50 -0.16 0.00 0.00 0.00 0.00 51.96 50.70 2kc1 s ALA 67 Cb -0.07 -1.64 -0.07 0.00 0.00 0.00 0.00 23.12 21.35 2kc1 s ALA 67 CO 0.27 -0.06 1.48 -0.07 0.00 0.00 0.00 175.76 177.38 2kc1 h LEU 68 N 0.89 0.64 -1.95 0.00 3.38 -0.91 -2.88 115.31 114.47 2kc1 h LEU 68 Ca -0.45 -0.39 0.01 0.00 0.09 0.00 0.00 57.88 57.14 2kc1 h LEU 68 Cb 1.26 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.83 2kc1 h LEU 68 CO 0.52 0.89 0.05 -0.78 0.09 0.00 0.00 178.44 179.21 2kc1 h ASP 69 N 0.39 0.05 -0.95 -0.43 1.82 -1.73 -1.07 116.42 114.51 2kc1 h ASP 69 Ca 0.07 -0.00 0.05 0.00 -0.39 0.00 0.00 57.03 56.76 2kc1 h ASP 69 Cb 0.63 -0.01 -0.06 0.00 0.68 0.00 0.00 39.33 40.57 2kc1 h ASP 69 CO 0.04 0.04 0.62 0.22 -1.61 0.00 0.00 179.24 178.55 2kc1 h TYR 70 N 0.06 1.14 -0.01 0.28 3.20 -1.79 -1.38 116.97 118.47 2kc1 h TYR 70 Ca 0.03 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.93 2kc1 h TYR 70 Cb 0.04 -0.38 0.00 0.00 1.54 0.00 0.00 36.73 37.93 2kc1 h TYR 70 CO -0.00 0.63 -0.33 0.66 -1.64 0.00 0.00 178.16 177.48 2kc1 n TYR 71 N -4.47 0.00 -2.66 -3.82 4.01 -0.46 -5.00 117.16 104.76 2kc1 n TYR 71 Ca 0.14 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.85 2kc1 n TYR 71 Cb 0.15 -0.16 0.00 0.00 -0.31 0.00 0.00 39.34 39.02 2kc1 n TYR 71 CO 0.00 0.00 0.00 -1.33 -0.46 0.00 0.00 176.86 175.07 2kc1 n MET 72 N -0.89 -2.80 -4.15 -0.72 2.81 -0.52 -5.02 117.12 105.83 2kc1 n MET 72 Ca 0.10 2.36 -0.33 0.00 -1.81 0.00 0.00 57.70 58.02 2kc1 n MET 72 Cb 0.34 -5.16 -0.08 0.00 -0.71 0.00 0.00 33.22 27.62 2kc1 n MET 72 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2kc1 s LEU 73 N -1.90 3.84 0.21 4.03 1.43 -1.25 -5.05 118.68 119.99 2kc1 s LEU 73 Ca 0.09 0.15 0.11 0.00 -1.03 0.00 0.00 54.13 53.46 2kc1 s LEU 73 Cb -0.03 -2.16 -0.05 0.00 0.03 0.00 0.00 46.19 43.99 2kc1 s LEU 73 CO 0.71 0.30 -0.22 -0.13 0.23 0.00 0.00 176.35 177.24 2kc1 s ARG 74 N -1.54 1.58 -0.33 1.70 0.52 -1.26 -4.97 118.95 114.65 2kc1 s ARG 74 Ca 0.20 -1.57 -0.29 0.00 -0.52 0.00 0.00 55.73 53.56 2kc1 s ARG 74 Cb -0.12 -1.84 -0.01 0.00 0.52 0.00 0.00 34.95 33.50 2kc1 s ARG 74 CO 0.11 0.38 1.70 -0.80 0.02 0.00 0.00 175.30 176.71 2kc1 s ASN 75 N -2.88 6.06 0.00 0.23 -0.87 -1.25 -1.31 114.94 114.92 2kc1 s ASN 75 Ca 0.23 1.27 0.00 0.00 -1.57 0.00 0.00 52.86 52.79 2kc1 s ASN 75 Cb -0.07 -2.53 0.00 0.00 -0.02 0.00 0.00 41.25 38.63 2kc1 s ASN 75 CO 0.11 -1.58 0.00 0.61 -2.57 0.00 0.00 177.10 173.67 2kc1 n GLY 76 N 5.24 2.21 3.73 0.66 0.00 0.15 -4.94 105.19 112.24 2kc1 n GLY 76 Ca 0.21 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.93 2kc1 n GLY 76 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kc1 s ASP 77 N -1.98 3.55 -0.03 1.61 -1.08 -0.43 -4.71 116.67 113.61 2kc1 s ASP 77 Ca 0.00 1.40 0.01 0.00 -0.52 0.00 0.00 52.55 53.44 2kc1 s ASP 77 Cb 0.00 -2.08 0.02 0.00 -1.46 0.00 0.00 42.92 39.40 2kc1 s ASP 77 CO 0.00 -2.58 -0.02 -0.89 0.52 0.00 0.00 175.17 172.21 2kc1 s THR 78 N -2.99 0.31 0.08 1.71 2.01 -1.26 -0.39 115.64 115.11 2kc1 s THR 78 Ca 0.63 0.01 0.08 0.00 0.31 0.00 0.00 61.69 62.72 2kc1 s THR 78 Cb -0.17 -0.38 -0.03 0.00 0.01 0.00 0.00 72.50 71.93 2kc1 s THR 78 CO 0.56 0.17 -0.21 -0.04 -0.69 0.00 0.00 174.62 174.42 2kc1 s MET 79 N 0.98 1.24 -0.31 4.92 -1.94 0.01 -2.19 119.30 122.01 2kc1 s MET 79 Ca -0.10 -1.09 -0.06 0.00 -1.71 0.00 0.00 55.69 52.72 2kc1 s MET 79 Cb -0.14 -1.46 0.02 0.00 2.01 0.00 0.00 34.83 35.26 2kc1 s MET 79 CO -0.01 0.35 0.07 -2.00 -0.01 0.00 0.00 175.02 173.43 2kc1 s GLU 80 N -1.66 2.89 -0.34 2.03 2.12 0.46 -0.96 118.70 123.24 2kc1 s GLU 80 Ca 0.07 -0.99 -0.29 0.00 0.36 0.00 0.00 54.97 54.12 2kc1 s GLU 80 Cb -0.10 -3.36 0.00 0.00 0.26 0.00 0.00 34.13 30.93 2kc1 s GLU 80 CO 0.03 -0.52 1.40 -0.47 -0.54 0.00 0.00 175.26 175.17 2kc1 s TYR 81 N 1.44 2.46 0.27 5.30 5.04 0.22 -1.33 117.35 130.75 2kc1 s TYR 81 Ca 0.01 0.74 -0.14 0.00 -2.44 0.00 0.00 57.07 55.24 2kc1 s TYR 81 Cb -0.18 -4.10 0.00 0.00 0.35 0.00 0.00 41.96 38.04 2kc1 s TYR 81 CO 0.02 -2.02 0.54 -0.98 -1.34 0.00 0.00 175.55 171.76 2kc1 s ARG 82 N 4.61 1.66 0.07 4.97 1.70 -0.97 -2.98 118.95 128.01 2kc1 s ARG 82 Ca 0.61 -1.26 -0.31 0.00 -0.47 0.00 0.00 55.73 54.31 2kc1 s ARG 82 Cb -0.17 0.50 -0.07 0.00 -0.57 0.00 0.00 34.95 34.65 2kc1 s ARG 82 CO 0.28 -0.71 1.39 0.21 -1.08 0.00 0.00 175.30 175.40 2kc1 s LYS 83 N -3.83 4.31 -0.01 3.89 2.36 -1.26 -0.22 119.74 124.97 2kc1 s LYS 83 Ca 0.21 2.03 -0.27 0.00 -2.55 0.00 0.00 55.97 55.39 2kc1 s LYS 83 Cb -0.02 -3.38 -0.04 0.00 -1.05 0.00 0.00 37.83 33.34 2kc1 s LYS 83 CO 0.10 -0.48 0.84 -1.59 1.55 0.00 0.00 175.35 175.76 2kc1 s LYS 84 N 1.62 4.51 0.00 4.03 -2.85 -0.60 -4.80 119.74 121.65 2kc1 s LYS 84 Ca 0.64 1.16 0.31 0.00 -1.00 0.00 0.00 55.97 57.08 2kc1 s LYS 84 Cb -0.35 -3.43 1.71 0.00 -2.06 0.00 0.00 37.83 33.71 2kc1 s LYS 84 CO 0.29 0.07 2.12 1.04 0.10 0.00 0.00 175.35 178.97