#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 5.05 0.09 -0.61 -0.00 -1.26 -5.07 121.20 119.40 2kc1 s ILE -4 Ca 0.00 -0.36 -0.28 0.00 -0.00 0.00 0.00 60.65 60.01 2kc1 s ILE -4 Cb 0.00 -3.85 -0.06 0.00 -0.00 0.00 0.00 42.46 38.55 2kc1 s ILE -4 CO 0.00 -0.60 0.89 -0.62 -0.00 0.00 0.00 174.94 174.61 2kc1 s ASP -3 N -4.05 7.40 0.39 4.36 -1.08 -1.26 -4.96 116.67 117.48 2kc1 s ASP -3 Ca 0.41 1.67 0.14 0.00 -0.52 0.00 0.00 52.55 54.26 2kc1 s ASP -3 Cb -0.10 -2.55 0.98 0.00 -1.46 0.00 0.00 42.92 39.80 2kc1 s ASP -3 CO 0.37 -0.04 1.86 1.55 0.52 0.00 0.00 175.17 179.44 2kc1 h PRO -2 N 5.59 0.50 0.00 4.34 0.13 -2.02 -3.41 132.00 137.13 2kc1 h PRO -2 Ca -0.43 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2kc1 h PRO -2 Cb 1.21 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.23 2kc1 h PRO -2 CO 0.71 0.33 0.00 1.97 -0.23 0.00 0.00 178.00 180.78 2kc1 n PHE -1 N -4.54 0.00 0.00 1.56 -1.74 -1.26 -5.05 117.46 106.43 2kc1 n PHE -1 Ca 0.18 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 57.07 2kc1 n PHE -1 Cb 0.60 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.60 2kc1 n PHE -1 CO 0.00 0.00 0.00 2.41 -0.56 0.00 0.00 176.76 178.61 2kc1 n THR 0 N -1.33 0.00 -3.06 1.97 -1.04 -1.26 -4.42 114.28 105.13 2kc1 n THR 0 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2kc1 n THR 0 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 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 0.00 0.31 -1.90 -2.82 2.81 -1.26 -5.02 117.12 109.24 2kc1 n MET 1 Ca 0.00 0.00 -0.38 0.00 -1.81 0.00 0.00 57.70 55.51 2kc1 n MET 1 Cb 0.00 0.00 -0.04 0.00 -0.71 0.00 0.00 33.22 32.47 2kc1 n MET 1 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 2kc1 n VAL 2 N 0.00 2.65 -2.73 2.03 0.31 -1.26 -4.92 118.33 114.40 2kc1 n VAL 2 Ca 0.00 -2.58 -0.42 0.00 -0.01 0.00 0.00 64.34 61.33 2kc1 n VAL 2 Cb 0.00 -2.33 -0.03 0.00 -0.91 0.00 0.00 33.84 30.58 2kc1 n VAL 2 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2kc1 s ALA 3 N 6.51 3.32 -0.48 3.52 0.00 -1.26 -4.28 121.76 129.09 2kc1 s ALA 3 Ca 0.58 0.40 -0.28 0.00 0.00 0.00 0.00 51.96 52.66 2kc1 s ALA 3 Cb 0.07 -3.36 0.01 0.00 0.00 0.00 0.00 23.12 19.84 2kc1 s ALA 3 CO 0.08 -0.44 1.37 -0.51 0.00 0.00 0.00 175.76 176.26 2kc1 s LEU 4 N 1.59 3.52 -0.53 0.00 1.43 0.17 -4.75 118.68 120.11 2kc1 s LEU 4 Ca 0.49 0.55 -0.17 0.00 -1.03 0.00 0.00 54.13 53.96 2kc1 s LEU 4 Cb -0.19 -3.35 0.09 0.00 0.03 0.00 0.00 46.19 42.77 2kc1 s LEU 4 CO 0.21 -1.51 0.57 -0.44 0.23 0.00 0.00 176.35 175.40 2kc1 s SER 5 N 3.89 6.19 0.25 2.29 0.01 -1.26 -0.64 113.70 124.43 2kc1 s SER 5 Ca 0.56 -1.38 0.07 0.00 1.31 0.00 0.00 55.95 56.51 2kc1 s SER 5 Cb -0.11 -2.25 -0.04 0.00 0.21 0.00 0.00 66.02 63.83 2kc1 s SER 5 CO 0.30 -0.90 0.14 -0.76 0.41 0.00 0.00 173.24 172.43 2kc1 s LEU 6 N 2.17 3.66 -0.58 2.44 1.02 -0.10 -0.42 118.68 126.87 2kc1 s LEU 6 Ca 0.08 -0.34 -0.23 0.00 0.02 0.00 0.00 54.13 53.67 2kc1 s LEU 6 Cb -0.25 -2.20 0.05 0.00 0.02 0.00 0.00 46.19 43.82 2kc1 s LEU 6 CO 0.07 -0.02 0.90 -0.54 0.02 0.00 0.00 176.35 176.78 2kc1 s LYS 7 N -3.74 3.23 -0.41 1.70 -0.14 0.89 -1.53 119.74 119.74 2kc1 s LYS 7 Ca 0.32 -0.55 -0.21 0.00 -1.36 0.00 0.00 55.97 54.18 2kc1 s LYS 7 Cb -0.08 -4.12 0.02 0.00 -1.68 0.00 0.00 37.83 31.97 2kc1 s LYS 7 CO 0.24 -1.55 0.66 0.42 -0.76 0.00 0.00 175.35 174.36 2kc1 s ILE 8 N 3.77 4.82 -0.60 2.17 -1.09 0.17 -0.66 121.20 129.79 2kc1 s ILE 8 Ca 0.25 0.30 -0.20 0.00 -2.23 0.00 0.00 60.65 58.77 2kc1 s ILE 8 Cb -0.15 -4.18 0.08 0.00 -1.58 0.00 0.00 42.46 36.63 2kc1 s ILE 8 CO 0.15 -0.53 0.78 -0.55 -1.23 0.00 0.00 174.94 173.57 2kc1 s SER 9 N 1.96 6.19 -0.82 3.58 0.15 0.59 -0.13 113.70 125.22 2kc1 s SER 9 Ca 0.24 -1.18 -0.19 0.00 0.70 0.00 0.00 55.95 55.53 2kc1 s SER 9 Cb -0.14 -2.34 0.13 0.00 -1.71 0.00 0.00 66.02 61.96 2kc1 s SER 9 CO 0.18 -1.19 0.98 -0.63 1.20 0.00 0.00 173.24 173.79 2kc1 s ILE 10 N 3.16 4.79 0.00 6.45 1.01 0.99 -2.27 121.20 135.32 2kc1 s ILE 10 Ca 0.16 -1.39 0.00 0.00 0.00 0.00 0.00 60.65 59.42 2kc1 s ILE 10 Cb -0.21 -4.68 0.00 0.00 0.01 0.00 0.00 42.46 37.59 2kc1 s ILE 10 CO 0.09 -1.38 0.00 0.61 0.00 0.00 0.00 174.94 174.26 2kc1 n GLY 11 N 5.24 1.48 0.00 6.18 0.00 -1.26 -1.30 105.19 115.53 2kc1 n GLY 11 Ca 0.13 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.32 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 7.09 1.13 -4.49 1.61 0.23 -1.26 -4.98 115.26 114.60 2kc1 n ASN 12 Ca 0.00 -1.27 -0.43 0.00 -0.53 0.00 0.00 54.58 52.35 2kc1 n ASN 12 Cb 0.00 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 37.66 2kc1 n ASN 12 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 2kc1 s VAL 13 N -0.27 4.42 -0.23 3.53 1.01 -0.42 -5.01 120.40 123.43 2kc1 s VAL 13 Ca 0.00 -0.05 -0.22 0.00 0.00 0.00 0.00 61.98 61.71 2kc1 s VAL 13 Cb 0.00 -4.56 -0.02 0.00 0.00 0.00 0.00 36.38 31.80 2kc1 s VAL 13 CO 0.00 -1.20 0.72 -0.69 0.00 0.00 0.00 175.10 173.93 2kc1 s VAL 14 N 3.84 4.93 -0.04 2.92 1.01 -1.26 -0.01 120.40 131.79 2kc1 s VAL 14 Ca 0.25 1.36 0.06 0.00 0.00 0.00 0.00 61.98 63.65 2kc1 s VAL 14 Cb -0.15 -4.02 -0.01 0.00 0.00 0.00 0.00 36.38 32.20 2kc1 s VAL 14 CO 0.15 0.01 -0.22 -0.54 0.00 0.00 0.00 175.10 174.51 2kc1 s LYS 15 N 2.44 2.01 -0.53 2.72 -0.14 0.82 -4.92 119.74 122.14 2kc1 s LYS 15 Ca 0.31 -0.77 -0.25 0.00 -1.36 0.00 0.00 55.97 53.90 2kc1 s LYS 15 Cb -0.16 -1.81 0.04 0.00 -1.68 0.00 0.00 37.83 34.22 2kc1 s LYS 15 CO 0.09 0.38 0.95 0.99 -0.76 0.00 0.00 175.35 177.00 2kc1 s THR 16 N -0.26 4.39 0.03 2.17 2.01 -1.26 0.43 115.64 123.16 2kc1 s THR 16 Ca 0.01 0.42 0.07 0.00 0.31 0.00 0.00 61.69 62.51 2kc1 s THR 16 Cb -0.11 -4.52 -0.03 0.00 0.01 0.00 0.00 72.50 67.85 2kc1 s THR 16 CO 0.01 -1.05 -0.19 -0.04 -0.69 0.00 0.00 174.62 172.66 2kc1 s MET 17 N 3.94 2.07 -0.22 4.92 -1.94 -0.58 -4.95 119.30 122.54 2kc1 s MET 17 Ca 0.33 -0.98 -0.04 0.00 -1.71 0.00 0.00 55.69 53.29 2kc1 s MET 17 Cb -0.12 -2.17 -0.01 0.00 2.01 0.00 0.00 34.83 34.54 2kc1 s MET 17 CO 0.21 0.54 -0.05 -0.65 -0.01 0.00 0.00 175.02 175.07 2kc1 s GLN 18 N -1.35 3.35 0.50 2.03 -0.21 -1.26 -0.92 119.66 121.80 2kc1 s GLN 18 Ca 0.14 -0.64 0.04 0.00 0.02 0.00 0.00 55.36 54.92 2kc1 s GLN 18 Cb -0.10 -2.99 -0.01 0.00 1.00 0.00 0.00 33.01 30.91 2kc1 s GLN 18 CO 0.04 -0.20 0.16 -0.06 -2.12 0.00 0.00 175.29 173.11 2kc1 s PHE 19 N 1.47 1.95 0.07 0.91 0.08 0.19 -4.87 117.98 117.78 2kc1 s PHE 19 Ca 0.06 -0.84 0.01 0.00 0.12 0.00 0.00 56.93 56.27 2kc1 s PHE 19 Cb -0.14 -1.77 -0.04 0.00 -0.57 0.00 0.00 43.02 40.50 2kc1 s PHE 19 CO -0.04 0.02 0.18 -1.21 -0.10 0.00 0.00 175.22 174.07 2kc1 s GLU 20 N -4.00 3.28 0.33 0.44 8.01 -1.26 0.45 118.70 125.96 2kc1 s GLU 20 Ca 0.22 -0.52 0.07 0.00 0.01 0.00 0.00 54.97 54.75 2kc1 s GLU 20 Cb 0.01 -2.95 0.76 0.00 -4.31 0.00 0.00 34.13 27.65 2kc1 s GLU 20 CO 0.13 0.59 1.84 -1.35 0.01 0.00 0.00 175.26 176.48 2kc1 h PRO 21 N 3.10 0.74 -0.00 0.39 0.11 -1.97 -1.49 132.00 132.87 2kc1 h PRO 21 Ca -0.46 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2kc1 h PRO 21 Cb 1.16 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.11 2kc1 h PRO 21 CO 0.73 0.49 -0.04 -1.13 -0.21 0.00 0.00 178.00 177.84 2kc1 n SER 22 N -4.61 0.18 -4.71 -2.05 3.41 -1.26 -2.40 113.62 102.18 2kc1 n SER 22 Ca 0.19 -0.42 -0.42 0.00 -0.26 0.00 0.00 58.87 57.96 2kc1 n SER 22 Cb 0.48 -0.17 -0.03 0.00 -0.26 0.00 0.00 64.21 64.23 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 -2.46 3.27 0.55 6.66 2.01 -0.56 -4.83 115.64 120.27 2kc1 s THR 23 Ca 0.31 0.86 -0.17 0.00 0.31 0.00 0.00 61.69 63.01 2kc1 s THR 23 Cb 0.20 -3.55 -0.06 0.00 0.01 0.00 0.00 72.50 69.10 2kc1 s THR 23 CO 0.45 0.05 1.03 -0.04 -0.69 0.00 0.00 174.62 175.42 2kc1 s MET 24 N 1.50 3.63 0.14 4.92 -1.94 -1.26 -0.03 119.30 126.26 2kc1 s MET 24 Ca 0.66 1.12 -0.18 0.00 -1.71 0.00 0.00 55.69 55.59 2kc1 s MET 24 Cb -0.37 -2.08 -0.00 0.00 2.01 0.00 0.00 34.83 34.39 2kc1 s MET 24 CO 0.30 -0.55 1.76 0.28 -0.01 0.00 0.00 175.02 176.80 2kc1 h VAL 25 N 0.78 0.96 0.00 -6.03 2.07 -0.32 0.34 116.25 114.05 2kc1 h VAL 25 Ca -0.47 -0.09 -0.05 0.00 0.82 0.00 0.00 66.70 66.91 2kc1 h VAL 25 Cb 1.21 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 2kc1 h VAL 25 CO 0.59 0.05 -0.21 0.10 0.02 0.00 0.00 177.57 178.12 2kc1 h TYR 26 N 0.26 0.00 0.14 1.57 -0.00 -1.78 0.45 116.97 117.61 2kc1 h TYR 26 Ca 0.12 0.00 -0.29 0.00 -0.00 0.00 0.00 58.73 58.56 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 -0.11 0.21 -1.26 0.22 -0.00 0.00 0.00 178.16 177.22 2kc1 h ASP 27 N 0.00 0.63 -0.04 0.10 3.58 -1.59 -2.57 116.42 116.53 2kc1 h ASP 27 Ca -0.00 -0.63 -0.08 0.00 0.42 0.00 0.00 57.03 56.74 2kc1 h ASP 27 Cb 0.43 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.26 2kc1 h ASP 27 CO 0.03 1.47 -0.20 0.00 -2.88 0.00 0.00 179.24 177.66 2kc1 h ALA 28 N 0.45 1.23 -0.62 -0.78 0.00 0.28 0.22 119.26 120.04 2kc1 h ALA 28 Ca -0.17 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.45 2kc1 h ALA 28 Cb 1.95 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 19.60 2kc1 h ALA 28 CO 0.22 0.50 0.40 0.00 0.00 0.00 0.00 179.25 180.38 2kc1 h ARG 30 N 0.82 0.28 -0.23 0.00 1.12 -0.90 -2.52 114.38 112.96 2kc1 h ARG 30 Ca 0.23 -0.09 -0.04 0.00 -1.11 0.00 0.00 59.98 58.97 2kc1 h ARG 30 Cb -0.07 -0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 29.85 2kc1 h ARG 30 CO -0.06 0.52 -0.04 0.52 -3.11 0.00 0.00 179.97 177.80 2kc1 h MET 31 N 0.26 0.35 -0.01 0.20 2.86 0.13 -0.20 114.93 118.52 2kc1 h MET 31 Ca 0.04 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.61 2kc1 h MET 31 Cb 0.58 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.18 2kc1 h MET 31 CO 0.04 0.41 0.00 0.82 1.06 0.00 0.00 176.91 179.24 2kc1 h ILE 32 N 0.34 1.21 0.00 -1.22 1.08 -0.97 -2.46 117.51 115.49 2kc1 h ILE 32 Ca 0.08 -0.62 -0.06 0.00 -0.39 0.00 0.00 64.86 63.87 2kc1 h ILE 32 Cb 0.29 1.61 -0.01 0.00 -3.07 0.00 0.00 36.82 35.64 2kc1 h ILE 32 CO 0.01 0.16 -0.29 0.08 -0.69 0.00 0.00 178.15 177.43 2kc1 h ARG 33 N -0.24 0.00 0.03 2.37 -0.00 -1.36 0.64 114.38 115.83 2kc1 h ARG 33 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 59.98 59.98 2kc1 h ARG 33 Cb 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.23 2kc1 h ARG 33 CO 0.00 0.29 -0.02 0.93 -0.00 0.00 0.00 179.97 181.17 2kc1 h GLU 34 N 0.00 -0.04 0.03 0.08 4.39 -0.94 -3.28 114.58 114.81 2kc1 h GLU 34 Ca -0.00 0.00 -0.27 0.00 0.34 0.00 0.00 59.36 59.43 2kc1 h GLU 34 Cb 0.57 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.20 2kc1 h GLU 34 CO 0.04 0.15 -1.43 0.00 -1.16 0.00 0.00 179.01 176.61 2kc1 h ARG 35 N -0.23 0.05 -4.24 2.33 2.47 -1.17 -3.42 114.38 110.17 2kc1 h ARG 35 Ca -0.00 -0.09 -0.62 0.00 -1.26 0.00 0.00 59.98 58.00 2kc1 h ARG 35 Cb 0.22 0.03 -0.39 0.00 -1.65 0.00 0.00 29.97 28.18 2kc1 h ARG 35 CO 0.01 0.81 -0.75 0.42 0.56 0.00 0.00 179.97 181.02 2kc1 s ILE 36 N -2.64 1.61 -0.28 2.04 1.01 0.22 -4.95 121.20 118.21 2kc1 s ILE 36 Ca -0.04 -1.69 0.28 0.00 0.00 0.00 0.00 60.65 59.20 2kc1 s ILE 36 Cb 0.08 -2.09 0.32 0.00 0.01 0.00 0.00 42.46 40.78 2kc1 s ILE 36 CO 0.83 -0.46 1.82 1.55 0.00 0.00 0.00 174.94 178.68 2kc1 h PRO 37 N 7.87 0.00 0.00 2.79 0.13 -1.78 -2.94 132.00 138.07 2kc1 h PRO 37 Ca -0.12 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.96 2kc1 h PRO 37 Cb 1.03 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.16 2kc1 h PRO 37 CO 0.47 0.00 -0.28 1.49 -0.23 0.00 0.00 178.00 179.45 2kc1 h GLU 38 N 0.00 0.00 -0.25 0.86 4.81 -1.91 -2.38 114.58 115.72 2kc1 h GLU 38 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2kc1 h GLU 38 Cb 0.54 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.92 2kc1 h GLU 38 CO 0.00 0.28 0.00 0.00 -0.73 0.00 0.00 179.01 178.56 2kc1 n ALA 39 N -2.42 2.48 -0.20 2.92 0.00 -1.11 -4.28 120.51 117.91 2kc1 n ALA 39 Ca -0.02 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 52.89 2kc1 n ALA 39 Cb 0.35 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.76 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 0.35 0.32 0.00 0.00 4.77 -0.89 -4.84 117.00 116.71 2kc1 n LEU 40 Ca 0.13 0.63 0.00 0.00 -0.03 0.00 0.00 56.01 56.75 2kc1 n LEU 40 Cb 0.29 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 2kc1 n LEU 40 CO 0.10 -0.40 0.00 0.00 -1.33 0.00 0.00 177.39 175.76 2kc1 n ALA 41 N -1.71 0.00 -3.00 -1.18 0.00 -1.26 -4.66 120.51 108.71 2kc1 n ALA 41 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2kc1 n ALA 41 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2kc1 n ALA 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kc1 n GLY 42 N 0.00 4.88 3.77 0.00 0.00 -1.26 -5.14 105.19 107.44 2kc1 n GLY 42 Ca 0.00 -0.98 -0.41 0.00 0.00 0.00 0.00 46.02 44.63 2kc1 n GLY 42 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2kc1 s PRO 43 N 1.95 4.40 0.29 1.61 0.04 -1.26 -4.94 135.00 137.09 2kc1 s PRO 43 Ca 0.00 2.14 -0.02 0.00 0.04 0.00 0.00 61.00 63.16 2kc1 s PRO 43 Cb 0.00 -3.10 0.43 0.00 0.04 0.00 0.00 34.50 31.88 2kc1 s PRO 43 CO 0.00 -0.13 1.91 -1.00 0.04 0.00 0.00 177.00 177.83 2kc1 h PRO 44 N 3.57 0.98 0.00 0.56 0.13 -1.93 -1.72 132.00 133.59 2kc1 h PRO 44 Ca -0.48 -0.11 0.00 0.00 -0.87 0.00 0.00 66.00 64.54 2kc1 h PRO 44 Cb 1.22 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.16 2kc1 h PRO 44 CO 0.66 0.73 0.00 -1.71 -0.23 0.00 0.00 178.00 177.45 2kc1 n ASN 45 N -4.36 0.25 0.01 1.44 4.05 -1.26 -1.31 115.26 114.09 2kc1 n ASN 45 Ca 0.07 0.55 0.14 0.00 0.45 0.00 0.00 54.58 55.78 2kc1 n ASN 45 Cb 0.11 -0.61 0.58 0.00 1.23 0.00 0.00 39.78 41.09 2kc1 n ASN 45 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 177.26 174.68 2kc1 n ASP 46 N -1.76 0.12 -4.57 1.20 9.92 -0.65 -4.80 116.55 116.02 2kc1 n ASP 46 Ca 0.04 0.49 -0.26 0.00 -0.53 0.00 0.00 54.79 54.53 2kc1 n ASP 46 Cb 0.26 -0.51 -0.09 0.00 -0.64 0.00 0.00 41.12 40.14 2kc1 n ASP 46 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 2kc1 s PHE 47 N -3.01 2.62 0.39 1.24 0.40 -0.42 0.59 117.98 119.78 2kc1 s PHE 47 Ca 0.13 -0.23 -0.15 0.00 -0.60 0.00 0.00 56.93 56.09 2kc1 s PHE 47 Cb 0.18 -1.26 0.05 0.00 0.51 0.00 0.00 43.02 42.51 2kc1 s PHE 47 CO 0.54 0.54 0.78 0.20 0.70 0.00 0.00 175.22 177.98 2kc1 s GLY 48 N -2.97 0.46 -0.27 4.36 0.00 0.28 -4.74 107.32 104.44 2kc1 s GLY 48 Ca 0.26 -0.82 -0.10 0.00 0.00 0.00 0.00 44.72 44.06 2kc1 s GLY 48 CO 0.16 -0.36 0.16 1.08 0.00 0.00 0.00 173.10 174.14 2kc1 s LEU 49 N -3.09 3.95 -0.35 0.66 1.43 -1.26 -1.95 118.68 118.06 2kc1 s LEU 49 Ca 0.17 -0.01 -0.02 0.00 -1.03 0.00 0.00 54.13 53.23 2kc1 s LEU 49 Cb -0.05 -2.09 0.08 0.00 0.03 0.00 0.00 46.19 44.17 2kc1 s LEU 49 CO 0.12 -0.02 0.10 0.12 0.23 0.00 0.00 176.35 176.91 2kc1 s PHE 50 N 1.57 3.44 -0.54 0.29 5.36 0.33 -0.71 117.98 127.72 2kc1 s PHE 50 Ca 0.07 -2.14 -0.27 0.00 -0.96 0.00 0.00 56.93 53.63 2kc1 s PHE 50 Cb -0.15 -2.68 -0.03 0.00 -0.34 0.00 0.00 43.02 39.82 2kc1 s PHE 50 CO 0.08 -0.88 1.94 -1.17 -1.46 0.00 0.00 175.22 173.73 2kc1 s LEU 51 N 1.20 3.35 0.54 6.12 2.96 0.66 0.50 118.68 134.00 2kc1 s LEU 51 Ca 0.02 0.65 -0.09 0.00 -0.22 0.00 0.00 54.13 54.49 2kc1 s LEU 51 Cb -0.21 -2.73 -0.04 0.00 0.50 0.00 0.00 46.19 43.71 2kc1 s LEU 51 CO -0.03 -2.32 0.91 -0.94 -1.32 0.00 0.00 176.35 172.65 2kc1 s SER 52 N 8.35 6.29 -0.28 3.68 1.04 -1.15 -1.44 113.70 130.19 2kc1 s SER 52 Ca 0.75 1.22 0.21 0.00 0.48 0.00 0.00 55.95 58.61 2kc1 s SER 52 Cb -0.15 -2.38 0.49 0.00 0.10 0.00 0.00 66.02 64.09 2kc1 s SER 52 CO 0.24 -0.70 1.10 -0.67 0.98 0.00 0.00 173.24 174.19 2kc1 n ASP 53 N -2.37 1.39 0.00 7.02 2.03 -1.26 -4.78 116.55 118.57 2kc1 n ASP 53 Ca 0.04 -2.18 0.00 0.00 0.52 0.00 0.00 54.79 53.17 2kc1 n ASP 53 Cb 0.54 -0.43 0.00 0.00 -0.72 0.00 0.00 41.12 40.52 2kc1 n ASP 53 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2kc1 n ASP 54 N -0.52 0.00 -4.72 1.67 8.00 -1.26 -4.85 116.55 114.87 2kc1 n ASP 54 Ca 0.06 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.15 2kc1 n ASP 54 Cb 0.81 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.87 2kc1 n ASP 54 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2kc1 s ASP 55 N 0.00 7.37 0.62 -2.24 -1.08 -1.26 -4.94 116.67 115.14 2kc1 s ASP 55 Ca 0.00 1.65 0.38 0.00 -0.52 0.00 0.00 52.55 54.06 2kc1 s ASP 55 Cb 0.00 -2.56 2.07 0.00 -1.46 0.00 0.00 42.92 40.96 2kc1 s ASP 55 CO 0.00 -0.20 2.28 1.55 0.52 0.00 0.00 175.17 179.32 2kc1 h PRO 56 N 6.50 0.00 0.00 4.34 0.13 -1.95 -1.43 132.00 139.59 2kc1 h PRO 56 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 2kc1 h PRO 56 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2kc1 h PRO 56 CO 0.74 0.01 -1.00 1.17 -0.23 0.00 0.00 178.00 178.69 2kc1 n LYS 57 N -3.37 0.41 0.04 0.86 4.81 -1.26 -3.48 118.16 116.17 2kc1 n LYS 57 Ca -0.03 0.04 0.13 0.00 -0.87 0.00 0.00 58.31 57.58 2kc1 n LYS 57 Cb 0.11 -1.68 0.37 0.00 0.02 0.00 0.00 35.03 33.86 2kc1 n LYS 57 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2kc1 n LYS 58 N -2.23 0.14 -2.87 1.64 4.76 -0.56 -4.86 118.16 114.18 2kc1 n LYS 58 Ca 0.01 0.07 -0.26 0.00 -2.87 0.00 0.00 58.31 55.27 2kc1 n LYS 58 Cb 0.48 -1.62 0.00 0.00 -1.84 0.00 0.00 35.03 32.05 2kc1 n LYS 58 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 2kc1 s GLY 59 N -3.30 1.47 0.03 0.72 0.00 -1.10 -4.57 107.32 100.57 2kc1 s GLY 59 Ca 0.11 -0.71 0.02 0.00 0.00 0.00 0.00 44.72 44.14 2kc1 s GLY 59 CO 0.63 -0.56 -0.07 -0.26 0.00 0.00 0.00 173.10 172.84 2kc1 s ILE 60 N -2.62 0.54 -0.05 0.90 -4.36 -0.52 -4.96 121.20 110.12 2kc1 s ILE 60 Ca 0.46 -0.84 -0.26 0.00 -0.26 0.00 0.00 60.65 59.75 2kc1 s ILE 60 Cb -0.10 -0.56 -0.03 0.00 1.25 0.00 0.00 42.46 43.02 2kc1 s ILE 60 CO 0.42 -0.22 0.82 0.26 0.24 0.00 0.00 174.94 176.45 2kc1 s TRP 61 N -1.01 3.59 0.19 1.37 0.52 -1.26 -0.25 118.94 122.09 2kc1 s TRP 61 Ca -0.06 1.42 -0.27 0.00 0.02 0.00 0.00 56.10 57.21 2kc1 s TRP 61 Cb -0.08 -2.95 -0.08 0.00 -1.15 0.00 0.00 33.47 29.21 2kc1 s TRP 61 CO 0.00 0.01 0.85 -0.51 0.02 0.00 0.00 176.95 177.32 2kc1 s LEU 62 N 1.05 4.60 0.20 2.99 1.43 0.11 -4.95 118.68 124.12 2kc1 s LEU 62 Ca 0.43 1.77 -0.30 0.00 -1.03 0.00 0.00 54.13 55.00 2kc1 s LEU 62 Cb -0.19 -3.44 -0.08 0.00 0.03 0.00 0.00 46.19 42.51 2kc1 s LEU 62 CO 0.21 0.16 1.14 -1.61 0.23 0.00 0.00 176.35 176.48 2kc1 s GLU 63 N -1.03 4.56 0.33 1.70 2.02 -1.26 -4.66 118.70 120.36 2kc1 s GLU 63 Ca 0.39 1.80 0.01 0.00 0.02 0.00 0.00 54.97 57.19 2kc1 s GLU 63 Cb -0.24 -3.24 0.56 0.00 0.10 0.00 0.00 34.13 31.31 2kc1 s GLU 63 CO 0.29 0.03 1.97 0.00 0.02 0.00 0.00 175.26 177.57 2kc1 h ALA 64 N 4.91 1.51 -0.02 5.21 0.00 -1.95 -1.31 119.26 127.61 2kc1 h ALA 64 Ca -0.45 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2kc1 h ALA 64 Cb 1.21 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2kc1 h ALA 64 CO 0.72 0.42 0.00 0.41 0.00 0.00 0.00 179.25 180.80 2kc1 n GLY 65 N -1.42 -0.78 3.82 0.00 0.00 -1.26 -3.10 105.19 102.45 2kc1 n GLY 65 Ca 0.09 -0.20 -0.22 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.97 2.92 0.46 1.61 -0.14 -0.49 -4.96 119.74 117.16 2kc1 s LYS 66 Ca 0.34 -1.06 0.05 0.00 -1.36 0.00 0.00 55.97 53.95 2kc1 s LYS 66 Cb 0.16 -2.56 0.02 0.00 -1.68 0.00 0.00 37.83 33.77 2kc1 s LYS 66 CO 0.27 0.40 0.64 0.00 -0.76 0.00 0.00 175.35 175.90 2kc1 s ALA 67 N -2.13 4.22 0.27 5.17 0.00 -1.26 0.22 121.76 128.24 2kc1 s ALA 67 Ca 0.33 -1.48 0.05 0.00 0.00 0.00 0.00 51.96 50.85 2kc1 s ALA 67 Cb -0.08 -1.83 0.37 0.00 0.00 0.00 0.00 23.12 21.57 2kc1 s ALA 67 CO 0.25 -0.44 1.65 -0.07 0.00 0.00 0.00 175.76 177.15 2kc1 h LEU 68 N 0.44 0.32 -1.51 0.00 3.38 -0.60 -2.57 115.31 114.76 2kc1 h LEU 68 Ca -0.42 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.40 2kc1 h LEU 68 Cb 1.28 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.92 2kc1 h LEU 68 CO 0.49 0.73 0.18 -0.78 0.09 0.00 0.00 178.44 179.15 2kc1 h ASP 69 N 0.25 0.45 -0.87 -0.43 1.82 -1.70 -2.43 116.42 113.50 2kc1 h ASP 69 Ca 0.02 -0.03 0.10 0.00 -0.39 0.00 0.00 57.03 56.73 2kc1 h ASP 69 Cb 0.89 -0.11 -0.08 0.00 0.68 0.00 0.00 39.33 40.71 2kc1 h ASP 69 CO 0.07 0.38 0.51 0.22 -1.61 0.00 0.00 179.24 178.82 2kc1 h TYR 70 N 0.51 0.93 -0.54 0.28 3.20 -1.75 -0.49 116.97 119.10 2kc1 h TYR 70 Ca 0.13 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.03 2kc1 h TYR 70 Cb 0.05 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.04 2kc1 h TYR 70 CO 0.00 0.37 0.00 0.66 -1.64 0.00 0.00 178.16 177.55 2kc1 n TYR 71 N -4.72 0.72 -3.71 -3.82 4.01 -0.95 -4.93 117.16 103.76 2kc1 n TYR 71 Ca 0.15 -0.36 -0.24 0.00 -0.16 0.00 0.00 57.90 57.29 2kc1 n TYR 71 Cb 0.31 0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.38 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 1.14 -5.96 -2.48 -0.72 2.81 -0.19 -4.94 117.12 106.78 2kc1 n MET 72 Ca 0.19 0.69 -0.40 0.00 -1.81 0.00 0.00 57.70 56.36 2kc1 n MET 72 Cb 0.48 -5.52 -0.04 0.00 -0.71 0.00 0.00 33.22 27.43 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 -6.95 4.53 0.00 4.03 1.43 -1.02 -5.03 118.68 115.67 2kc1 s LEU 73 Ca 0.33 2.23 0.04 0.00 -1.03 0.00 0.00 54.13 55.70 2kc1 s LEU 73 Cb -0.16 -3.62 -0.01 0.00 0.03 0.00 0.00 46.19 42.43 2kc1 s LEU 73 CO 0.79 -0.17 0.14 0.54 0.23 0.00 0.00 176.35 177.88 2kc1 n ARG 74 N 1.55 0.38 -2.31 1.70 1.74 -1.26 -4.85 116.66 113.62 2kc1 n ARG 74 Ca 0.00 -1.98 -0.43 0.00 -0.77 0.00 0.00 57.85 54.67 2kc1 n ARG 74 Cb 0.45 1.46 -0.02 0.00 -1.02 0.00 0.00 32.46 33.32 2kc1 n ARG 74 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 2kc1 s ASN 75 N -2.40 6.87 0.00 0.55 2.47 -1.25 -2.99 114.94 118.19 2kc1 s ASN 75 Ca 0.20 1.86 0.00 0.00 0.42 0.00 0.00 52.86 55.34 2kc1 s ASN 75 Cb 0.01 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.27 2kc1 s ASN 75 CO 0.14 -0.79 0.00 0.61 -3.72 0.00 0.00 177.10 173.34 2kc1 n GLY 76 N 3.73 2.18 3.77 1.21 0.00 0.44 -4.95 105.19 111.58 2kc1 n GLY 76 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 2kc1 n GLY 76 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kc1 s ASP 77 N -1.66 5.62 -0.16 1.61 1.01 -1.16 -4.64 116.67 117.29 2kc1 s ASP 77 Ca 0.00 2.29 -0.05 0.00 0.71 0.00 0.00 52.55 55.50 2kc1 s ASP 77 Cb 0.00 -2.59 -0.03 0.00 1.01 0.00 0.00 42.92 41.30 2kc1 s ASP 77 CO 0.00 -1.29 0.01 -0.89 0.21 0.00 0.00 175.17 173.21 2kc1 s THR 78 N -1.65 4.34 -0.04 -1.27 2.01 -1.26 -0.08 115.64 117.69 2kc1 s THR 78 Ca 0.72 -0.20 -0.02 0.00 0.31 0.00 0.00 61.69 62.50 2kc1 s THR 78 Cb -0.27 -2.92 0.02 0.00 0.01 0.00 0.00 72.50 69.33 2kc1 s THR 78 CO 0.31 0.49 0.08 -0.32 -0.69 0.00 0.00 174.62 174.49 2kc1 s MET 79 N 0.27 0.07 -0.52 4.92 1.75 0.17 -2.92 119.30 123.04 2kc1 s MET 79 Ca 0.00 0.19 -0.19 0.00 -1.25 0.00 0.00 55.69 54.44 2kc1 s MET 79 Cb -0.13 -0.07 0.06 0.00 2.84 0.00 0.00 34.83 37.53 2kc1 s MET 79 CO 0.02 -0.08 0.65 -1.21 -0.65 0.00 0.00 175.02 173.75 2kc1 s GLU 80 N 0.51 3.13 -0.60 4.11 0.41 0.18 -0.30 118.70 126.14 2kc1 s GLU 80 Ca -0.04 -0.88 -0.27 0.00 -0.41 0.00 0.00 54.97 53.37 2kc1 s GLU 80 Cb -0.06 -4.11 0.03 0.00 -1.78 0.00 0.00 34.13 28.22 2kc1 s GLU 80 CO -0.02 -1.26 1.15 -0.47 -0.49 0.00 0.00 175.26 174.17 2kc1 s TYR 81 N 2.73 2.59 0.25 1.61 5.04 -0.96 -0.51 117.35 128.10 2kc1 s TYR 81 Ca 0.16 0.23 -0.11 0.00 -2.44 0.00 0.00 57.07 54.91 2kc1 s TYR 81 Cb -0.19 -4.45 -0.01 0.00 0.35 0.00 0.00 41.96 37.66 2kc1 s TYR 81 CO 0.12 -1.63 0.45 -0.98 -1.34 0.00 0.00 175.55 172.17 2kc1 s ARG 82 N 4.88 1.56 0.10 4.97 1.70 -0.82 -3.95 118.95 127.38 2kc1 s ARG 82 Ca 0.39 -1.34 -0.31 0.00 -0.47 0.00 0.00 55.73 54.00 2kc1 s ARG 82 Cb -0.09 0.45 -0.08 0.00 -0.57 0.00 0.00 34.95 34.66 2kc1 s ARG 82 CO 0.22 -0.64 1.47 0.21 -1.08 0.00 0.00 175.30 175.48 2kc1 s LYS 83 N -3.91 4.27 0.08 3.89 2.20 -1.26 -0.56 119.74 124.45 2kc1 s LYS 83 Ca 0.25 2.16 0.02 0.00 -0.36 0.00 0.00 55.97 58.04 2kc1 s LYS 83 Cb 0.00 -3.33 -0.04 0.00 -1.51 0.00 0.00 37.83 32.95 2kc1 s LYS 83 CO 0.10 -0.54 0.14 -1.59 -0.36 0.00 0.00 175.35 173.11 2kc1 s LYS 84 N 1.53 3.14 0.00 4.03 -2.85 0.20 -4.86 119.74 120.93 2kc1 s LYS 84 Ca 0.67 -0.58 0.23 0.00 -1.00 0.00 0.00 55.97 55.29 2kc1 s LYS 84 Cb -0.38 -2.87 0.18 0.00 -2.06 0.00 0.00 37.83 32.70 2kc1 s LYS 84 CO 0.30 0.58 1.23 1.04 0.10 0.00 0.00 175.35 178.60