#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 1.93 -0.12 -0.61 2.07 -1.26 -5.10 121.20 118.11 2kc1 s ILE -4 Ca 0.00 -0.88 -0.29 0.00 -1.41 0.00 0.00 60.65 58.07 2kc1 s ILE -4 Cb 0.00 -1.77 -0.01 0.00 0.13 0.00 0.00 42.46 40.81 2kc1 s ILE -4 CO 0.00 0.50 0.99 -0.62 -1.91 0.00 0.00 174.94 173.89 2kc1 s ASP -3 N 1.34 7.20 0.00 4.50 2.15 -1.26 -4.93 116.67 125.68 2kc1 s ASP -3 Ca 0.04 1.48 0.00 0.00 0.43 0.00 0.00 52.55 54.50 2kc1 s ASP -3 Cb -0.13 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 39.95 2kc1 s ASP -3 CO -0.12 -0.45 0.46 -2.65 -0.17 0.00 0.00 175.17 172.24 2kc1 n PRO -2 N 5.10 0.82 -2.28 4.34 -0.02 -1.26 -4.87 135.00 136.82 2kc1 n PRO -2 Ca 0.08 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.54 2kc1 n PRO -2 Cb 0.49 -1.36 0.00 0.00 -0.02 0.00 0.00 33.50 32.61 2kc1 n PRO -2 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2kc1 n PHE -1 N 0.02 -2.35 -1.11 6.00 7.35 -1.26 -2.77 117.46 123.33 2kc1 n PHE -1 Ca 0.00 1.01 -0.08 0.00 -0.76 0.00 0.00 57.45 57.62 2kc1 n PHE -1 Cb 0.18 -3.08 -0.03 0.00 0.35 0.00 0.00 39.48 36.90 2kc1 n PHE -1 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 2kc1 n THR 0 N 0.11 0.00 -3.02 -2.13 -2.24 -1.26 -4.71 114.28 101.03 2kc1 n THR 0 Ca 0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 2kc1 n THR 0 Cb 0.11 -1.16 0.00 0.00 -2.10 0.00 0.00 70.33 67.18 2kc1 n THR 0 CO 0.00 0.00 0.00 1.15 -0.57 0.00 0.00 175.07 175.65 2kc1 n MET 1 N -0.53 -0.98 -3.28 -0.78 0.00 -1.26 -5.06 117.12 105.25 2kc1 n MET 1 Ca -0.08 0.00 -0.46 0.00 0.00 0.00 0.00 57.70 57.17 2kc1 n MET 1 Cb 0.47 0.00 -0.01 0.00 0.00 0.00 0.00 33.22 33.68 2kc1 n MET 1 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 2kc1 s VAL 2 N -3.00 5.65 0.11 3.17 0.11 -1.26 -4.28 120.40 120.90 2kc1 s VAL 2 Ca 0.00 -2.77 0.02 0.00 -2.93 0.00 0.00 61.98 56.31 2kc1 s VAL 2 Cb 0.00 -4.57 -0.04 0.00 -1.53 0.00 0.00 36.38 30.24 2kc1 s VAL 2 CO 0.00 -1.16 0.19 0.00 -3.33 0.00 0.00 175.10 170.80 2kc1 s ALA 3 N -0.08 3.83 -0.61 1.54 0.00 -1.11 -4.69 121.76 120.64 2kc1 s ALA 3 Ca 0.25 -0.99 -0.27 0.00 0.00 0.00 0.00 51.96 50.95 2kc1 s ALA 3 Cb -0.09 -1.65 0.01 0.00 0.00 0.00 0.00 23.12 21.39 2kc1 s ALA 3 CO -0.08 0.68 1.45 -0.51 0.00 0.00 0.00 175.76 177.29 2kc1 s LEU 4 N -2.79 3.33 -0.56 0.00 1.43 0.18 -4.79 118.68 115.49 2kc1 s LEU 4 Ca 0.33 0.13 -0.20 0.00 -1.03 0.00 0.00 54.13 53.36 2kc1 s LEU 4 Cb -0.12 -2.87 0.07 0.00 0.03 0.00 0.00 46.19 43.30 2kc1 s LEU 4 CO 0.26 -1.83 0.73 -0.44 0.23 0.00 0.00 176.35 175.30 2kc1 s SER 5 N 4.78 6.21 0.28 2.29 0.01 -1.26 -0.32 113.70 125.70 2kc1 s SER 5 Ca 0.51 -1.05 0.11 0.00 1.31 0.00 0.00 55.95 56.83 2kc1 s SER 5 Cb -0.10 -2.32 -0.05 0.00 0.21 0.00 0.00 66.02 63.75 2kc1 s SER 5 CO 0.22 -1.07 -0.12 -0.76 0.41 0.00 0.00 173.24 171.92 2kc1 s LEU 6 N 2.96 2.82 -0.37 2.44 1.02 0.46 -0.03 118.68 127.98 2kc1 s LEU 6 Ca 0.16 -0.89 -0.16 0.00 0.02 0.00 0.00 54.13 53.26 2kc1 s LEU 6 Cb -0.20 -1.33 0.00 0.00 0.02 0.00 0.00 46.19 44.68 2kc1 s LEU 6 CO 0.10 0.02 0.41 -0.54 0.02 0.00 0.00 176.35 176.37 2kc1 s LYS 7 N -3.58 3.40 -0.27 1.70 -0.14 0.13 -0.28 119.74 120.71 2kc1 s LYS 7 Ca 0.31 -0.50 -0.10 0.00 -1.36 0.00 0.00 55.97 54.31 2kc1 s LYS 7 Cb -0.05 -3.86 -0.05 0.00 -1.68 0.00 0.00 37.83 32.19 2kc1 s LYS 7 CO 0.17 -0.66 0.16 0.42 -0.76 0.00 0.00 175.35 174.68 2kc1 s ILE 8 N 2.12 5.11 -0.37 2.17 -1.09 0.67 -0.36 121.20 129.45 2kc1 s ILE 8 Ca 0.13 0.10 -0.11 0.00 -2.23 0.00 0.00 60.65 58.54 2kc1 s ILE 8 Cb -0.17 -3.42 0.02 0.00 -1.58 0.00 0.00 42.46 37.31 2kc1 s ILE 8 CO 0.13 0.27 0.21 -0.55 -1.23 0.00 0.00 174.94 173.77 2kc1 s SER 9 N 1.68 5.77 -0.66 3.58 0.15 0.22 -0.24 113.70 124.21 2kc1 s SER 9 Ca 0.07 -0.87 -0.16 0.00 0.70 0.00 0.00 55.95 55.69 2kc1 s SER 9 Cb -0.16 -2.04 0.16 0.00 -1.71 0.00 0.00 66.02 62.27 2kc1 s SER 9 CO 0.09 -0.35 0.63 -0.63 1.20 0.00 0.00 173.24 174.18 2kc1 s ILE 10 N 1.59 5.30 0.00 6.45 1.01 0.95 -1.98 121.20 134.52 2kc1 s ILE 10 Ca 0.03 -1.79 0.00 0.00 0.00 0.00 0.00 60.65 58.89 2kc1 s ILE 10 Cb -0.19 -4.41 0.00 0.00 0.01 0.00 0.00 42.46 37.87 2kc1 s ILE 10 CO 0.07 -0.97 0.00 0.61 0.00 0.00 0.00 174.94 174.65 2kc1 n GLY 11 N 4.82 1.64 0.00 6.18 0.00 -1.26 -1.54 105.19 115.03 2kc1 n GLY 11 Ca -0.03 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.16 2kc1 n GLY 11 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2kc1 n ASN 12 N 5.26 0.34 -4.53 1.61 4.13 -1.26 -5.00 115.26 115.81 2kc1 n ASN 12 Ca 0.00 -0.66 -0.43 0.00 1.68 0.00 0.00 54.58 55.17 2kc1 n ASN 12 Cb 0.00 0.42 -0.07 0.00 -1.54 0.00 0.00 39.78 38.59 2kc1 n ASN 12 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2kc1 s VAL 13 N -0.42 4.83 -0.40 2.41 1.01 -0.59 -5.02 120.40 122.22 2kc1 s VAL 13 Ca 0.00 0.22 -0.15 0.00 0.00 0.00 0.00 61.98 62.05 2kc1 s VAL 13 Cb 0.00 -4.18 0.02 0.00 0.00 0.00 0.00 36.38 32.21 2kc1 s VAL 13 CO 0.00 -0.54 0.32 -0.69 0.00 0.00 0.00 175.10 174.19 2kc1 s VAL 14 N 2.82 5.23 -0.04 2.92 1.01 -1.26 -0.03 120.40 131.04 2kc1 s VAL 14 Ca 0.23 -0.53 0.06 0.00 0.00 0.00 0.00 61.98 61.74 2kc1 s VAL 14 Cb -0.14 -3.93 -0.02 0.00 0.00 0.00 0.00 36.38 32.29 2kc1 s VAL 14 CO 0.18 -0.29 -0.21 -0.54 0.00 0.00 0.00 175.10 174.24 2kc1 s LYS 15 N 1.78 2.34 -0.31 2.72 -0.14 0.67 -4.93 119.74 121.88 2kc1 s LYS 15 Ca 0.07 -0.83 -0.29 0.00 -1.36 0.00 0.00 55.97 53.55 2kc1 s LYS 15 Cb -0.18 -2.20 0.00 0.00 -1.68 0.00 0.00 37.83 33.77 2kc1 s LYS 15 CO 0.11 0.55 1.33 0.99 -0.76 0.00 0.00 175.35 177.57 2kc1 s THR 16 N -0.58 4.10 -0.08 2.17 2.01 -1.26 -0.24 115.64 121.76 2kc1 s THR 16 Ca 0.08 1.23 0.03 0.00 0.31 0.00 0.00 61.69 63.34 2kc1 s THR 16 Cb -0.11 -4.14 -0.02 0.00 0.01 0.00 0.00 72.50 68.24 2kc1 s THR 16 CO 0.00 -0.50 -0.17 -0.04 -0.69 0.00 0.00 174.62 173.23 2kc1 s MET 17 N 4.27 2.78 -0.32 4.92 -1.94 0.62 -4.94 119.30 124.68 2kc1 s MET 17 Ca 0.57 -0.75 -0.01 0.00 -1.71 0.00 0.00 55.69 53.80 2kc1 s MET 17 Cb -0.17 -2.40 0.07 0.00 2.01 0.00 0.00 34.83 34.34 2kc1 s MET 17 CO 0.24 0.44 0.03 -0.65 -0.01 0.00 0.00 175.02 175.08 2kc1 s GLN 18 N -0.27 2.24 0.55 2.03 -0.21 -1.26 -0.40 119.66 122.33 2kc1 s GLN 18 Ca 0.01 -1.44 0.09 0.00 0.02 0.00 0.00 55.36 54.03 2kc1 s GLN 18 Cb -0.13 -3.24 0.07 0.00 1.00 0.00 0.00 33.01 30.71 2kc1 s GLN 18 CO 0.03 -0.74 0.68 -0.06 -2.12 0.00 0.00 175.29 173.08 2kc1 s PHE 19 N 1.18 1.62 0.16 0.91 0.08 0.57 -4.86 117.98 117.63 2kc1 s PHE 19 Ca -0.01 -0.71 0.02 0.00 0.12 0.00 0.00 56.93 56.35 2kc1 s PHE 19 Cb -0.20 -2.16 -0.04 0.00 -0.57 0.00 0.00 43.02 40.05 2kc1 s PHE 19 CO -0.03 -0.92 0.30 -1.21 -0.10 0.00 0.00 175.22 173.26 2kc1 s GLU 20 N -4.54 3.45 0.45 0.44 2.02 -1.26 0.52 118.70 119.77 2kc1 s GLU 20 Ca 0.55 -0.58 0.11 0.00 0.02 0.00 0.00 54.97 55.07 2kc1 s GLU 20 Cb -0.05 -2.95 1.01 0.00 0.10 0.00 0.00 34.13 32.24 2kc1 s GLU 20 CO 0.35 0.50 2.08 -1.35 0.02 0.00 0.00 175.26 176.86 2kc1 h PRO 21 N 2.05 0.35 -0.47 0.39 0.11 -1.95 -1.25 132.00 131.24 2kc1 h PRO 21 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2kc1 h PRO 21 Cb 1.20 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2kc1 h PRO 21 CO 0.68 0.23 0.00 0.43 -0.21 0.00 0.00 178.00 179.13 2kc1 n SER 22 N -4.49 2.52 -4.66 -2.05 7.64 -1.26 -2.81 113.62 108.50 2kc1 n SER 22 Ca 0.02 -2.00 -0.43 0.00 1.01 0.00 0.00 58.87 57.47 2kc1 n SER 22 Cb 0.10 -0.31 -0.02 0.00 -1.01 0.00 0.00 64.21 62.96 2kc1 n SER 22 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2kc1 s THR 23 N -1.37 4.16 0.60 0.44 2.01 -0.47 -4.89 115.64 116.12 2kc1 s THR 23 Ca 0.31 1.40 -0.13 0.00 0.31 0.00 0.00 61.69 63.58 2kc1 s THR 23 Cb 0.16 -3.90 -0.04 0.00 0.01 0.00 0.00 72.50 68.73 2kc1 s THR 23 CO 0.21 -0.12 1.03 -0.04 -0.69 0.00 0.00 174.62 175.01 2kc1 s MET 24 N 3.60 3.52 0.28 4.92 -1.94 -1.26 -0.53 119.30 127.88 2kc1 s MET 24 Ca 0.58 0.91 -0.03 0.00 -1.71 0.00 0.00 55.69 55.44 2kc1 s MET 24 Cb -0.24 -2.07 0.37 0.00 2.01 0.00 0.00 34.83 34.91 2kc1 s MET 24 CO 0.17 -0.63 1.89 0.28 -0.01 0.00 0.00 175.02 176.72 2kc1 h VAL 25 N 0.02 1.23 0.00 -6.03 2.07 -0.94 0.27 116.25 112.86 2kc1 h VAL 25 Ca -0.45 -0.60 -0.03 0.00 0.82 0.00 0.00 66.70 66.44 2kc1 h VAL 25 Cb 1.20 0.25 -0.00 0.00 -1.52 0.00 0.00 31.29 31.22 2kc1 h VAL 25 CO 0.60 0.26 -0.13 0.10 0.02 0.00 0.00 177.57 178.43 2kc1 h TYR 26 N 1.04 0.00 0.16 1.57 -0.00 -1.83 -0.33 116.97 117.59 2kc1 h TYR 26 Ca 0.26 0.00 -0.31 0.00 0.00 0.00 0.00 58.73 58.68 2kc1 h TYR 26 Cb 0.06 0.00 0.01 0.00 0.00 0.00 0.00 36.73 36.80 2kc1 h TYR 26 CO 0.01 0.13 -1.45 0.22 -0.00 0.00 0.00 178.16 177.06 2kc1 h ASP 27 N 0.00 0.55 -0.44 0.10 3.58 -1.31 -2.94 116.42 115.96 2kc1 h ASP 27 Ca -0.00 -0.65 -0.12 0.00 0.42 0.00 0.00 57.03 56.68 2kc1 h ASP 27 Cb 0.48 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.34 2kc1 h ASP 27 CO 0.02 1.53 -0.18 0.00 -2.88 0.00 0.00 179.24 177.72 2kc1 h ALA 28 N 0.39 0.61 -0.16 -0.78 0.00 -0.02 -0.28 119.26 119.02 2kc1 h ALA 28 Ca -0.22 -0.37 -0.08 0.00 0.00 0.00 0.00 54.91 54.24 2kc1 h ALA 28 Cb 2.05 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.68 2kc1 h ALA 28 CO 0.21 0.56 -0.27 0.00 0.00 0.00 0.00 179.25 179.74 2kc1 h ARG 30 N 0.27 0.23 -0.28 0.00 2.43 -1.29 -1.98 114.38 113.78 2kc1 h ARG 30 Ca 0.04 -0.11 -0.04 0.00 -0.81 0.00 0.00 59.98 59.06 2kc1 h ARG 30 Cb 0.63 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.16 2kc1 h ARG 30 CO 0.05 0.62 0.01 0.52 -1.51 0.00 0.00 179.97 179.65 2kc1 h MET 31 N 0.20 0.48 -0.74 0.20 2.86 -0.37 -2.98 114.93 114.57 2kc1 h MET 31 Ca 0.02 -0.15 -0.00 0.00 -2.06 0.00 0.00 59.70 57.51 2kc1 h MET 31 Cb 0.83 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 32.41 2kc1 h MET 31 CO 0.07 0.63 0.46 0.82 1.06 0.00 0.00 176.91 179.95 2kc1 h ILE 32 N 0.27 1.20 -0.24 -1.22 1.08 -1.03 -0.27 117.51 117.30 2kc1 h ILE 32 Ca 0.08 -0.42 -0.03 0.00 -0.39 0.00 0.00 64.86 64.10 2kc1 h ILE 32 Cb 0.41 0.15 -0.01 0.00 -3.07 0.00 0.00 36.82 34.30 2kc1 h ILE 32 CO 0.01 0.21 0.03 0.08 -0.69 0.00 0.00 178.15 177.79 2kc1 h ARG 33 N 1.01 0.34 0.10 2.37 0.11 -1.35 0.38 114.38 117.35 2kc1 h ARG 33 Ca 0.27 -0.05 -0.28 0.00 0.10 0.00 0.00 59.98 60.02 2kc1 h ARG 33 Cb -0.06 -0.06 -0.01 0.00 1.11 0.00 0.00 29.97 30.95 2kc1 h ARG 33 CO -0.05 0.34 -1.32 0.93 0.10 0.00 0.00 179.97 179.97 2kc1 h GLU 34 N 0.34 0.22 0.00 0.08 5.08 -1.26 -3.38 114.58 115.66 2kc1 h GLU 34 Ca 0.08 -0.37 -0.00 0.00 -1.00 0.00 0.00 59.36 58.07 2kc1 h GLU 34 Cb 0.17 0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.56 2kc1 h GLU 34 CO 0.00 1.13 -0.00 0.00 -1.00 0.00 0.00 179.01 179.14 2kc1 h ARG 35 N 0.06 -0.00 -5.19 2.33 2.47 -0.56 -3.45 114.38 110.04 2kc1 h ARG 35 Ca -0.16 0.00 -0.65 0.00 -1.26 0.00 0.00 59.98 57.91 2kc1 h ARG 35 Cb 1.96 0.00 -0.27 0.00 -1.65 0.00 0.00 29.97 30.01 2kc1 h ARG 35 CO 0.18 0.93 -0.74 0.42 0.56 0.00 0.00 179.97 181.31 2kc1 s ILE 36 N -2.25 3.23 -0.76 2.04 1.09 0.13 -4.99 121.20 119.69 2kc1 s ILE 36 Ca -0.18 -0.57 0.24 0.00 -1.10 0.00 0.00 60.65 59.04 2kc1 s ILE 36 Cb -0.03 -2.41 0.24 0.00 -1.06 0.00 0.00 42.46 39.20 2kc1 s ILE 36 CO 0.65 0.48 1.73 -0.81 -0.10 0.00 0.00 174.94 176.90 2kc1 n PRO 37 N 4.03 0.14 0.21 2.79 -0.04 -1.26 -2.83 135.00 138.05 2kc1 n PRO 37 Ca -0.18 0.24 0.06 0.00 -0.04 0.00 0.00 63.50 63.58 2kc1 n PRO 37 Cb 0.52 -1.71 0.48 0.00 -0.04 0.00 0.00 33.50 32.74 2kc1 n PRO 37 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2kc1 h GLU 38 N 0.00 0.00 0.00 0.54 4.39 -1.90 -0.33 114.58 117.28 2kc1 h GLU 38 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2kc1 h GLU 38 Cb 0.49 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 2kc1 h GLU 38 CO 0.00 0.27 0.00 0.00 -1.16 0.00 0.00 179.01 178.12 2kc1 h ALA 39 N 1.73 1.00 -0.25 3.43 0.00 -1.82 -2.72 119.26 120.63 2kc1 h ALA 39 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2kc1 h ALA 39 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2kc1 h ALA 39 CO 0.04 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.57 2kc1 n LEU 40 N -3.02 1.67 0.26 0.00 4.77 -0.14 -3.71 117.00 116.83 2kc1 n LEU 40 Ca 0.01 -0.78 0.15 0.00 -0.03 0.00 0.00 56.01 55.36 2kc1 n LEU 40 Cb 0.32 -0.16 0.65 0.00 -2.33 0.00 0.00 43.42 41.90 2kc1 n LEU 40 CO 0.27 0.39 0.94 0.00 -1.33 0.00 0.00 177.39 177.66 2kc1 h ALA 41 N 3.80 1.05 -2.65 -1.18 0.00 -1.49 -3.46 119.26 115.33 2kc1 h ALA 41 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2kc1 h ALA 41 Cb 0.45 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2kc1 h ALA 41 CO 0.00 0.12 0.00 0.41 0.00 0.00 0.00 179.25 179.78 2kc1 n GLY 42 N -0.11 3.36 3.75 0.00 0.00 -1.24 -5.14 105.19 105.80 2kc1 n GLY 42 Ca -0.00 -1.33 -0.41 0.00 0.00 0.00 0.00 46.02 44.28 2kc1 n GLY 42 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2kc1 s PRO 43 N -1.44 4.51 0.32 1.61 0.02 -1.26 -4.94 135.00 133.83 2kc1 s PRO 43 Ca 0.00 1.94 0.01 0.00 0.02 0.00 0.00 61.00 62.97 2kc1 s PRO 43 Cb 0.00 -3.18 0.57 0.00 0.02 0.00 0.00 34.50 31.91 2kc1 s PRO 43 CO 0.00 -0.00 1.95 -1.35 -0.33 0.00 0.00 177.00 177.27 2kc1 h PRO 44 N 4.27 0.94 -0.01 5.54 0.11 -1.94 -0.56 132.00 140.34 2kc1 h PRO 44 Ca -0.46 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2kc1 h PRO 44 Cb 1.22 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.11 2kc1 h PRO 44 CO 0.70 0.62 -0.03 0.09 -0.21 0.00 0.00 178.00 179.16 2kc1 n ASN 45 N -4.46 0.98 0.13 -2.05 4.13 -1.26 -2.37 115.26 110.36 2kc1 n ASN 45 Ca 0.11 -1.23 0.02 0.00 1.68 0.00 0.00 54.58 55.16 2kc1 n ASN 45 Cb 0.13 0.00 0.02 0.00 -1.54 0.00 0.00 39.78 38.39 2kc1 n ASN 45 CO 0.00 0.00 0.00 0.44 0.28 0.00 0.00 177.26 177.98 2kc1 h ASP 46 N 1.49 0.00 -4.13 6.41 5.19 -1.48 -3.45 116.42 120.45 2kc1 h ASP 46 Ca 0.00 0.00 -0.19 0.00 -0.62 0.00 0.00 57.03 56.22 2kc1 h ASP 46 Cb 0.36 0.00 0.04 0.00 0.18 0.00 0.00 39.33 39.91 2kc1 h ASP 46 CO 0.00 0.50 0.05 0.49 -3.12 0.00 0.00 179.24 177.17 2kc1 n PHE 47 N -3.21 -3.23 0.00 4.55 3.01 -1.00 -0.71 117.46 116.88 2kc1 n PHE 47 Ca 0.01 -0.71 0.00 0.00 1.01 0.00 0.00 57.45 57.77 2kc1 n PHE 47 Cb 0.74 -0.30 0.00 0.00 -0.01 0.00 0.00 39.48 39.91 2kc1 n PHE 47 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2kc1 n GLY 48 N 1.87 -0.67 3.61 1.37 0.00 -0.13 -4.57 105.19 106.67 2kc1 n GLY 48 Ca 0.07 -0.99 -0.40 0.00 0.00 0.00 0.00 46.02 44.70 2kc1 n GLY 48 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2kc1 s LEU 49 N 0.00 4.07 -0.29 0.99 1.43 -1.26 -1.74 118.68 121.88 2kc1 s LEU 49 Ca 0.00 0.47 -0.11 0.00 -1.03 0.00 0.00 54.13 53.47 2kc1 s LEU 49 Cb 0.00 -2.66 -0.03 0.00 0.03 0.00 0.00 46.19 43.53 2kc1 s LEU 49 CO 0.00 -0.31 0.17 0.12 0.23 0.00 0.00 176.35 176.57 2kc1 s PHE 50 N 2.33 3.19 -0.37 0.29 5.36 0.12 -1.79 117.98 127.10 2kc1 s PHE 50 Ca 0.21 -0.17 -0.29 0.00 -0.96 0.00 0.00 56.93 55.73 2kc1 s PHE 50 Cb -0.16 -2.37 0.00 0.00 -0.34 0.00 0.00 43.02 40.15 2kc1 s PHE 50 CO 0.10 -0.29 1.52 -1.17 -1.46 0.00 0.00 175.22 173.91 2kc1 s LEU 51 N 1.70 3.60 0.21 6.12 2.96 0.15 -1.04 118.68 132.39 2kc1 s LEU 51 Ca 0.06 1.01 -0.30 0.00 -0.22 0.00 0.00 54.13 54.69 2kc1 s LEU 51 Cb -0.16 -3.54 -0.09 0.00 0.50 0.00 0.00 46.19 42.90 2kc1 s LEU 51 CO 0.09 -1.47 1.32 -0.44 -1.32 0.00 0.00 176.35 174.52 2kc1 s SER 52 N 4.43 6.87 0.36 3.68 0.01 -1.25 -2.98 113.70 124.81 2kc1 s SER 52 Ca 0.66 2.44 0.05 0.00 1.31 0.00 0.00 55.95 60.42 2kc1 s SER 52 Cb -0.17 -2.61 -0.07 0.00 0.21 0.00 0.00 66.02 63.38 2kc1 s SER 52 CO 0.32 -0.54 0.03 -0.62 0.41 0.00 0.00 173.24 172.84 2kc1 s ASP 53 N 0.27 3.03 0.42 2.44 2.15 -1.26 -4.98 116.67 118.73 2kc1 s ASP 53 Ca 0.56 -1.36 0.15 0.00 0.43 0.00 0.00 52.55 52.33 2kc1 s ASP 53 Cb -0.37 -0.22 1.01 0.00 -0.30 0.00 0.00 42.92 43.04 2kc1 s ASP 53 CO 0.40 -0.52 1.91 -0.78 -0.17 0.00 0.00 175.17 176.01 2kc1 h ASP 54 N 1.99 0.43 -3.40 -0.34 3.58 -1.95 -3.38 116.42 113.35 2kc1 h ASP 54 Ca -0.42 0.02 -0.61 0.00 0.42 0.00 0.00 57.03 56.44 2kc1 h ASP 54 Cb 1.24 -0.06 -0.33 0.00 1.72 0.00 0.00 39.33 41.90 2kc1 h ASP 54 CO 0.74 0.22 -0.85 -0.62 -2.88 0.00 0.00 179.24 175.85 2kc1 s ASP 55 N -5.93 2.55 0.46 2.28 -1.08 -1.26 -5.03 116.67 108.66 2kc1 s ASP 55 Ca -0.08 -0.45 0.21 0.00 -0.52 0.00 0.00 52.55 51.70 2kc1 s ASP 55 Cb 0.21 -1.15 1.19 0.00 -1.46 0.00 0.00 42.92 41.72 2kc1 s ASP 55 CO 0.77 0.11 1.90 1.55 0.52 0.00 0.00 175.17 180.02 2kc1 h PRO 56 N 6.79 0.27 0.00 4.34 0.13 -1.98 0.29 132.00 141.84 2kc1 h PRO 56 Ca -0.24 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 2kc1 h PRO 56 Cb 1.22 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2kc1 h PRO 56 CO 0.47 0.18 0.00 0.87 -0.23 0.00 0.00 178.00 179.29 2kc1 h LYS 57 N 0.27 0.00 -0.03 0.86 1.79 -1.95 -2.89 116.57 114.62 2kc1 h LYS 57 Ca 0.40 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.87 2kc1 h LYS 57 Cb 1.14 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.79 2kc1 h LYS 57 CO -0.10 0.00 -0.01 1.63 -1.08 0.00 0.00 179.45 179.89 2kc1 n LYS 58 N -2.68 2.15 -2.40 3.15 5.02 0.07 -4.92 118.16 118.56 2kc1 n LYS 58 Ca 0.04 -1.68 -0.33 0.00 -2.02 0.00 0.00 58.31 54.32 2kc1 n LYS 58 Cb 0.45 -1.47 -0.03 0.00 -0.02 0.00 0.00 35.03 33.97 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 -2.01 2.24 0.26 0.72 0.00 -1.07 -4.87 107.32 102.60 2kc1 s GLY 59 Ca 0.30 0.38 0.06 0.00 0.00 0.00 0.00 44.72 45.46 2kc1 s GLY 59 CO 0.31 0.68 -0.05 -0.26 0.00 0.00 0.00 173.10 173.78 2kc1 s ILE 60 N -2.35 1.49 -0.19 0.90 -4.36 -1.16 -4.94 121.20 110.60 2kc1 s ILE 60 Ca 0.63 -2.11 -0.12 0.00 -0.26 0.00 0.00 60.65 58.79 2kc1 s ILE 60 Cb -0.13 -2.37 -0.05 0.00 1.25 0.00 0.00 42.46 41.16 2kc1 s ILE 60 CO 0.27 -0.34 0.20 0.26 0.24 0.00 0.00 174.94 175.57 2kc1 s TRP 61 N -3.11 3.41 0.46 1.37 0.52 -1.26 0.34 118.94 120.67 2kc1 s TRP 61 Ca 0.28 0.42 -0.23 0.00 0.02 0.00 0.00 56.10 56.59 2kc1 s TRP 61 Cb 0.04 -2.25 -0.07 0.00 -1.15 0.00 0.00 33.47 30.03 2kc1 s TRP 61 CO 0.10 0.23 1.14 -0.51 0.02 0.00 0.00 176.95 177.93 2kc1 s LEU 62 N 0.54 3.99 -0.07 2.99 1.02 -0.74 -4.95 118.68 121.46 2kc1 s LEU 62 Ca 0.11 2.25 -0.25 0.00 0.02 0.00 0.00 54.13 56.26 2kc1 s LEU 62 Cb -0.12 -4.28 -0.03 0.00 0.02 0.00 0.00 46.19 41.77 2kc1 s LEU 62 CO 0.01 -0.90 0.78 -1.61 0.02 0.00 0.00 176.35 174.66 2kc1 s GLU 63 N -2.76 4.44 0.52 1.70 2.02 -1.26 -4.78 118.70 118.58 2kc1 s GLU 63 Ca 0.64 1.02 0.22 0.00 0.02 0.00 0.00 54.97 56.87 2kc1 s GLU 63 Cb -0.27 -3.47 1.33 0.00 0.10 0.00 0.00 34.13 31.82 2kc1 s GLU 63 CO 0.33 -0.03 2.04 0.00 0.02 0.00 0.00 175.26 177.61 2kc1 h ALA 64 N 6.88 2.32 -0.10 5.21 0.00 -1.95 -0.60 119.26 131.02 2kc1 h ALA 64 Ca -0.39 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2kc1 h ALA 64 Cb 1.19 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2kc1 h ALA 64 CO 0.77 -0.43 0.00 0.41 0.00 0.00 0.00 179.25 180.00 2kc1 n GLY 65 N -1.60 0.12 3.35 0.00 0.00 -1.26 -3.24 105.19 102.56 2kc1 n GLY 65 Ca 0.06 -0.12 -0.22 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.69 1.32 0.55 1.61 -0.14 -0.23 -5.00 119.74 116.16 2kc1 s LYS 66 Ca 0.08 -1.47 -0.02 0.00 -1.36 0.00 0.00 55.97 53.20 2kc1 s LYS 66 Cb 0.04 -1.35 0.02 0.00 -1.68 0.00 0.00 37.83 34.86 2kc1 s LYS 66 CO 0.04 0.27 0.80 0.00 -0.76 0.00 0.00 175.35 175.70 2kc1 s ALA 67 N -2.21 3.62 0.23 5.17 0.00 -1.26 -0.80 121.76 126.52 2kc1 s ALA 67 Ca 0.18 -1.06 0.05 0.00 0.00 0.00 0.00 51.96 51.13 2kc1 s ALA 67 Cb -0.05 -2.28 0.24 0.00 0.00 0.00 0.00 23.12 21.03 2kc1 s ALA 67 CO 0.07 -0.73 1.55 -0.07 0.00 0.00 0.00 175.76 176.58 2kc1 h LEU 68 N 0.02 0.23 -1.45 0.00 3.38 -0.96 -2.56 115.31 113.98 2kc1 h LEU 68 Ca -0.44 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.39 2kc1 h LEU 68 Cb 1.28 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.96 2kc1 h LEU 68 CO 0.57 0.81 0.00 -0.78 0.09 0.00 0.00 178.44 179.12 2kc1 h ASP 69 N 0.15 0.00 0.17 -0.43 3.58 -1.78 -2.22 116.42 115.89 2kc1 h ASP 69 Ca -0.01 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.33 2kc1 h ASP 69 Cb 1.15 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.18 2kc1 h ASP 69 CO 0.10 0.00 -0.39 0.22 -2.88 0.00 0.00 179.24 176.29 2kc1 h TYR 70 N 0.00 0.34 -0.50 0.28 5.03 -1.73 -2.85 116.97 117.54 2kc1 h TYR 70 Ca 0.00 -0.09 0.00 0.00 2.58 0.00 0.00 58.73 61.22 2kc1 h TYR 70 Cb 0.49 -0.08 0.00 0.00 1.55 0.00 0.00 36.73 38.70 2kc1 h TYR 70 CO 0.00 0.64 0.00 0.66 -1.32 0.00 0.00 178.16 178.14 2kc1 n TYR 71 N -4.04 0.66 -2.42 -3.82 4.01 -0.86 -4.92 117.16 105.78 2kc1 n TYR 71 Ca -0.01 -0.33 -0.18 0.00 -0.16 0.00 0.00 57.90 57.21 2kc1 n TYR 71 Cb 0.47 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.49 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 1.08 -1.80 -2.21 -0.72 2.81 -1.08 -4.94 117.12 110.27 2kc1 n MET 72 Ca 0.18 0.87 -0.42 0.00 -1.81 0.00 0.00 57.70 56.52 2kc1 n MET 72 Cb 0.47 -5.38 -0.03 0.00 -0.71 0.00 0.00 33.22 27.57 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 -5.28 4.31 0.31 4.03 1.43 -1.10 -5.00 118.68 117.38 2kc1 s LEU 73 Ca 0.03 2.10 0.10 0.00 -1.03 0.00 0.00 54.13 55.34 2kc1 s LEU 73 Cb -0.01 -3.56 -0.05 0.00 0.03 0.00 0.00 46.19 42.60 2kc1 s LEU 73 CO 0.04 -0.75 -0.10 -0.13 0.23 0.00 0.00 176.35 175.64 2kc1 s ARG 74 N 2.70 1.90 -0.11 1.70 1.81 -1.26 -4.78 118.95 120.91 2kc1 s ARG 74 Ca 0.64 -1.74 -0.29 0.00 -1.72 0.00 0.00 55.73 52.62 2kc1 s ARG 74 Cb -0.31 -1.86 -0.06 0.00 -0.45 0.00 0.00 34.95 32.28 2kc1 s ARG 74 CO 0.26 0.25 1.89 -0.80 -0.68 0.00 0.00 175.30 176.22 2kc1 s ASN 75 N -3.61 6.20 0.00 0.23 -0.87 -1.26 -1.43 114.94 114.21 2kc1 s ASN 75 Ca 0.32 2.12 0.00 0.00 -1.57 0.00 0.00 52.86 53.73 2kc1 s ASN 75 Cb -0.02 -2.53 0.00 0.00 -0.02 0.00 0.00 41.25 38.68 2kc1 s ASN 75 CO 0.17 -1.33 0.00 0.61 -2.57 0.00 0.00 177.10 173.98 2kc1 n GLY 76 N 4.83 1.16 3.89 0.66 0.00 0.95 -4.94 105.19 111.74 2kc1 n GLY 76 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.97 5.72 -0.04 1.61 2.15 -0.52 -4.79 116.67 118.83 2kc1 s ASP 77 Ca 0.00 1.12 0.06 0.00 0.43 0.00 0.00 52.55 54.16 2kc1 s ASP 77 Cb 0.00 -2.05 -0.01 0.00 -0.30 0.00 0.00 42.92 40.56 2kc1 s ASP 77 CO 0.00 -1.13 -0.22 -0.89 -0.17 0.00 0.00 175.17 172.77 2kc1 s THR 78 N -3.22 1.77 0.21 1.71 2.01 -1.26 0.19 115.64 117.05 2kc1 s THR 78 Ca 0.56 -0.92 0.01 0.00 0.31 0.00 0.00 61.69 61.65 2kc1 s THR 78 Cb -0.11 -1.50 -0.05 0.00 0.01 0.00 0.00 72.50 70.85 2kc1 s THR 78 CO 0.51 0.50 0.05 -0.04 -0.69 0.00 0.00 174.62 174.95 2kc1 s MET 79 N -0.16 1.24 -0.24 4.92 -1.94 0.51 -3.82 119.30 119.81 2kc1 s MET 79 Ca -0.01 -1.64 0.02 0.00 -1.71 0.00 0.00 55.69 52.35 2kc1 s MET 79 Cb -0.12 -0.23 0.05 0.00 2.01 0.00 0.00 34.83 36.55 2kc1 s MET 79 CO 0.02 -0.22 -0.12 -1.21 -0.01 0.00 0.00 175.02 173.48 2kc1 s GLU 80 N -3.98 2.31 -0.58 2.03 2.02 -0.21 -0.61 118.70 119.69 2kc1 s GLU 80 Ca 0.31 -1.22 -0.24 0.00 0.02 0.00 0.00 54.97 53.84 2kc1 s GLU 80 Cb 0.07 -2.80 0.05 0.00 0.10 0.00 0.00 34.13 31.55 2kc1 s GLU 80 CO 0.09 -0.51 0.94 -0.47 0.02 0.00 0.00 175.26 175.33 2kc1 s TYR 81 N 1.16 2.77 0.13 1.61 6.14 -0.84 0.16 117.35 128.48 2kc1 s TYR 81 Ca -0.06 -0.15 -0.07 0.00 0.64 0.00 0.00 57.07 57.43 2kc1 s TYR 81 Cb -0.19 -4.11 -0.02 0.00 0.42 0.00 0.00 41.96 38.07 2kc1 s TYR 81 CO -0.06 -1.42 0.19 -0.98 0.64 0.00 0.00 175.55 173.92 2kc1 s ARG 82 N 3.96 0.98 0.15 4.97 1.70 -0.71 -3.88 118.95 126.11 2kc1 s ARG 82 Ca 0.28 -1.17 -0.31 0.00 -0.47 0.00 0.00 55.73 54.06 2kc1 s ARG 82 Cb -0.14 0.33 -0.10 0.00 -0.57 0.00 0.00 34.95 34.47 2kc1 s ARG 82 CO 0.17 -0.32 1.67 0.21 -1.08 0.00 0.00 175.30 175.95 2kc1 s LYS 83 N -3.95 4.17 -0.02 3.89 2.20 -1.26 -0.96 119.74 123.81 2kc1 s LYS 83 Ca 0.14 2.46 -0.31 0.00 -0.36 0.00 0.00 55.97 57.90 2kc1 s LYS 83 Cb 0.05 -3.28 -0.09 0.00 -1.51 0.00 0.00 37.83 32.99 2kc1 s LYS 83 CO -0.04 -0.71 1.99 1.63 -0.36 0.00 0.00 175.35 177.86 2kc1 n LYS 84 N 4.55 2.61 0.00 4.03 5.02 0.12 -4.89 118.16 129.59 2kc1 n LYS 84 Ca 0.15 0.94 0.00 0.00 -2.02 0.00 0.00 58.31 57.38 2kc1 n LYS 84 Cb 0.38 -2.95 0.00 0.00 -0.02 0.00 0.00 35.03 32.44 2kc1 n LYS 84 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82