#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 4.99 0.50 -0.61 1.01 -1.26 -5.04 121.20 120.79 2kc1 s ILE -4 Ca 0.00 1.20 -0.23 0.00 0.00 0.00 0.00 60.65 61.62 2kc1 s ILE -4 Cb 0.00 -3.96 -0.06 0.00 0.01 0.00 0.00 42.46 38.45 2kc1 s ILE -4 CO 0.00 0.06 1.34 -1.81 0.00 0.00 0.00 174.94 174.53 2kc1 s ASP -3 N 1.33 5.62 0.40 3.58 1.01 -1.26 -4.97 116.67 122.38 2kc1 s ASP -3 Ca 0.28 2.72 -0.26 0.00 0.71 0.00 0.00 52.55 56.00 2kc1 s ASP -3 Cb -0.16 -2.63 -0.09 0.00 1.01 0.00 0.00 42.92 41.05 2kc1 s ASP -3 CO 0.09 -1.33 1.37 -2.16 0.21 0.00 0.00 175.17 173.36 2kc1 s PRO -2 N -2.72 3.96 -0.33 8.23 0.04 -1.26 -5.00 135.00 137.91 2kc1 s PRO -2 Ca 0.67 2.31 -0.02 0.00 0.04 0.00 0.00 61.00 64.00 2kc1 s PRO -2 Cb -0.39 -2.80 0.07 0.00 0.04 0.00 0.00 34.50 31.41 2kc1 s PRO -2 CO 0.48 -0.56 0.07 -0.06 0.04 0.00 0.00 177.00 176.96 2kc1 s PHE -1 N -1.20 3.37 0.00 0.56 0.08 -1.26 -4.73 117.98 114.79 2kc1 s PHE -1 Ca 0.56 -2.02 0.00 0.00 0.12 0.00 0.00 56.93 55.59 2kc1 s PHE -1 Cb -0.41 -2.45 0.00 0.00 -0.57 0.00 0.00 43.02 39.58 2kc1 s PHE -1 CO 0.54 -0.85 0.00 -2.37 -0.10 0.00 0.00 175.22 172.44 2kc1 n THR 0 N 4.62 0.00 -5.21 0.64 5.66 -1.26 -5.04 114.28 113.69 2kc1 n THR 0 Ca -0.10 0.00 -0.32 0.00 -3.05 0.00 0.00 64.05 60.59 2kc1 n THR 0 Cb 0.43 0.00 -0.17 0.00 -1.55 0.00 0.00 70.33 69.04 2kc1 n THR 0 CO 0.00 0.00 0.00 -0.04 -3.05 0.00 0.00 175.07 171.98 2kc1 s MET 1 N -1.00 2.82 -1.15 1.09 -1.94 -1.26 -4.70 119.30 113.15 2kc1 s MET 1 Ca 0.00 -0.88 -0.06 0.00 -1.71 0.00 0.00 55.69 53.04 2kc1 s MET 1 Cb 0.00 -2.26 -0.03 0.00 2.01 0.00 0.00 34.83 34.55 2kc1 s MET 1 CO 0.00 0.29 0.86 0.28 -0.01 0.00 0.00 175.02 176.44 2kc1 n VAL 2 N 3.23 -6.88 -3.24 -6.03 0.31 -1.26 -5.01 118.33 99.45 2kc1 n VAL 2 Ca -0.18 -0.93 -0.02 0.00 -0.01 0.00 0.00 64.34 63.20 2kc1 n VAL 2 Cb 0.52 -5.20 -0.04 0.00 -0.91 0.00 0.00 33.84 28.22 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 -3.46 -1.74 -0.52 3.52 0.00 -1.26 -4.52 121.76 113.77 2kc1 s ALA 3 Ca 0.27 1.43 -0.28 0.00 0.00 0.00 0.00 51.96 53.38 2kc1 s ALA 3 Cb -0.06 -1.95 0.02 0.00 0.00 0.00 0.00 23.12 21.13 2kc1 s ALA 3 CO 0.78 -1.30 1.37 -0.51 0.00 0.00 0.00 175.76 176.10 2kc1 s LEU 4 N 2.72 3.48 -0.46 0.00 1.43 0.35 -4.78 118.68 121.42 2kc1 s LEU 4 Ca 0.17 0.43 -0.13 0.00 -1.03 0.00 0.00 54.13 53.58 2kc1 s LEU 4 Cb -0.15 -3.24 0.08 0.00 0.03 0.00 0.00 46.19 42.91 2kc1 s LEU 4 CO -0.19 -1.58 0.36 -0.44 0.23 0.00 0.00 176.35 174.73 2kc1 s SER 5 N 4.01 5.95 0.18 2.29 0.01 -1.26 -0.32 113.70 124.57 2kc1 s SER 5 Ca 0.54 -1.47 0.10 0.00 1.31 0.00 0.00 55.95 56.43 2kc1 s SER 5 Cb -0.11 -2.11 -0.04 0.00 0.21 0.00 0.00 66.02 63.97 2kc1 s SER 5 CO 0.28 -0.63 -0.17 -0.76 0.41 0.00 0.00 173.24 172.36 2kc1 s LEU 6 N 1.54 2.69 -0.59 2.44 1.02 0.30 -0.47 118.68 125.62 2kc1 s LEU 6 Ca 0.04 -0.72 -0.26 0.00 0.02 0.00 0.00 54.13 53.21 2kc1 s LEU 6 Cb -0.25 -1.41 0.04 0.00 0.02 0.00 0.00 46.19 44.60 2kc1 s LEU 6 CO 0.04 0.11 1.06 -0.54 0.02 0.00 0.00 176.35 177.05 2kc1 s LYS 7 N -2.72 3.36 -0.37 1.70 -0.14 0.17 -0.33 119.74 121.40 2kc1 s LYS 7 Ca 0.23 -0.13 -0.17 0.00 -1.36 0.00 0.00 55.97 54.53 2kc1 s LYS 7 Cb -0.08 -4.07 0.00 0.00 -1.68 0.00 0.00 37.83 32.00 2kc1 s LYS 7 CO 0.12 -1.64 0.46 0.42 -0.76 0.00 0.00 175.35 173.96 2kc1 s ILE 8 N 4.46 5.06 -0.58 2.17 -1.09 0.12 -0.94 121.20 130.39 2kc1 s ILE 8 Ca 0.34 0.06 -0.20 0.00 -2.23 0.00 0.00 60.65 58.62 2kc1 s ILE 8 Cb -0.11 -3.97 0.08 0.00 -1.58 0.00 0.00 42.46 36.89 2kc1 s ILE 8 CO 0.20 -0.27 0.75 -0.55 -1.23 0.00 0.00 174.94 173.84 2kc1 s SER 9 N 1.79 6.20 -0.76 3.58 0.15 0.10 -0.61 113.70 124.15 2kc1 s SER 9 Ca 0.15 -1.19 -0.16 0.00 0.70 0.00 0.00 55.95 55.45 2kc1 s SER 9 Cb -0.16 -2.33 0.17 0.00 -1.71 0.00 0.00 66.02 61.99 2kc1 s SER 9 CO 0.13 -1.13 0.80 -0.63 1.20 0.00 0.00 173.24 173.61 2kc1 s ILE 10 N 2.99 5.21 0.00 6.45 1.01 0.43 -1.78 121.20 135.51 2kc1 s ILE 10 Ca 0.15 -1.85 0.00 0.00 0.00 0.00 0.00 60.65 58.95 2kc1 s ILE 10 Cb -0.21 -4.52 0.00 0.00 0.01 0.00 0.00 42.46 37.73 2kc1 s ILE 10 CO 0.09 -1.13 0.00 0.61 0.00 0.00 0.00 174.94 174.50 2kc1 n GLY 11 N 4.73 1.01 0.00 6.18 0.00 -1.26 -0.98 105.19 114.87 2kc1 n GLY 11 Ca 0.08 0.35 0.05 0.00 0.00 0.00 0.00 46.02 46.50 2kc1 n GLY 11 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2kc1 n ASN 12 N 7.87 1.32 -4.47 1.61 5.15 -1.26 -4.91 115.26 120.56 2kc1 n ASN 12 Ca 0.00 -0.44 -0.43 0.00 -0.60 0.00 0.00 54.58 53.12 2kc1 n ASN 12 Cb 0.00 1.22 -0.04 0.00 -0.53 0.00 0.00 39.78 40.43 2kc1 n ASN 12 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2kc1 s VAL 13 N -2.35 4.21 -0.36 3.44 1.01 -0.16 -4.99 120.40 121.20 2kc1 s VAL 13 Ca 0.01 -0.25 -0.18 0.00 0.00 0.00 0.00 61.98 61.55 2kc1 s VAL 13 Cb 0.08 -4.74 -0.00 0.00 0.00 0.00 0.00 36.38 31.71 2kc1 s VAL 13 CO 0.46 -1.55 0.53 -0.69 0.00 0.00 0.00 175.10 173.84 2kc1 s VAL 14 N 4.38 5.00 -0.04 2.92 1.01 -1.26 -0.42 120.40 131.98 2kc1 s VAL 14 Ca 0.25 0.32 0.06 0.00 0.00 0.00 0.00 61.98 62.61 2kc1 s VAL 14 Cb -0.14 -3.99 -0.01 0.00 0.00 0.00 0.00 36.38 32.23 2kc1 s VAL 14 CO 0.10 -0.26 -0.23 -0.54 0.00 0.00 0.00 175.10 174.17 2kc1 s LYS 15 N 2.43 2.24 -0.39 2.72 -0.14 0.22 -4.91 119.74 121.92 2kc1 s LYS 15 Ca 0.19 -0.84 -0.27 0.00 -1.36 0.00 0.00 55.97 53.69 2kc1 s LYS 15 Cb -0.15 -1.97 0.02 0.00 -1.68 0.00 0.00 37.83 34.04 2kc1 s LYS 15 CO 0.14 0.40 1.01 -0.08 -0.76 0.00 0.00 175.35 176.05 2kc1 s THR 16 N -0.24 4.47 -0.09 2.17 -1.32 -1.26 0.13 115.64 119.50 2kc1 s THR 16 Ca 0.00 1.30 0.00 0.00 -1.21 0.00 0.00 61.69 61.79 2kc1 s THR 16 Cb -0.12 -4.42 -0.03 0.00 -1.51 0.00 0.00 72.50 66.42 2kc1 s THR 16 CO 0.02 -0.65 -0.08 -0.04 -2.21 0.00 0.00 174.62 171.66 2kc1 s MET 17 N 3.76 2.94 -0.34 7.08 -1.94 0.56 -4.91 119.30 126.44 2kc1 s MET 17 Ca 0.42 -0.59 -0.03 0.00 -1.71 0.00 0.00 55.69 53.78 2kc1 s MET 17 Cb -0.11 -2.61 0.06 0.00 2.01 0.00 0.00 34.83 34.19 2kc1 s MET 17 CO 0.21 0.53 0.08 -0.65 -0.01 0.00 0.00 175.02 175.19 2kc1 s GLN 18 N -0.46 2.37 0.58 2.03 -0.21 -1.26 -0.54 119.66 122.18 2kc1 s GLN 18 Ca 0.06 -1.39 0.09 0.00 0.02 0.00 0.00 55.36 54.14 2kc1 s GLN 18 Cb -0.12 -3.36 0.09 0.00 1.00 0.00 0.00 33.01 30.61 2kc1 s GLN 18 CO 0.02 -0.75 0.71 1.19 -2.12 0.00 0.00 175.29 174.33 2kc1 n PHE 19 N 4.67 -1.80 -3.31 0.91 3.01 0.57 -4.86 117.46 116.64 2kc1 n PHE 19 Ca -0.10 -2.22 -0.33 0.00 1.01 0.00 0.00 57.45 55.80 2kc1 n PHE 19 Cb 0.43 -0.53 -0.06 0.00 -0.01 0.00 0.00 39.48 39.31 2kc1 n PHE 19 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 2kc1 s GLU 20 N -4.58 3.94 0.32 -1.08 0.41 -1.26 -0.50 118.70 115.95 2kc1 s GLU 20 Ca 0.54 0.47 0.05 0.00 -0.41 0.00 0.00 54.97 55.62 2kc1 s GLU 20 Cb -0.04 -2.71 0.67 0.00 -1.78 0.00 0.00 34.13 30.27 2kc1 s GLU 20 CO 0.34 0.34 1.87 -1.35 -0.49 0.00 0.00 175.26 175.97 2kc1 h PRO 21 N 2.87 0.83 -0.53 0.39 0.11 -1.94 -1.32 132.00 132.41 2kc1 h PRO 21 Ca -0.48 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.58 2kc1 h PRO 21 Cb 1.18 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.10 2kc1 h PRO 21 CO 0.67 0.55 0.00 0.43 -0.21 0.00 0.00 178.00 179.44 2kc1 n SER 22 N -4.57 2.38 -4.73 -2.05 7.64 -1.26 -1.94 113.62 109.09 2kc1 n SER 22 Ca 0.17 -2.17 -0.41 0.00 1.01 0.00 0.00 58.87 57.46 2kc1 n SER 22 Cb 0.37 -0.37 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 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 -1.65 3.77 0.43 0.44 2.01 -0.50 -4.86 115.64 115.28 2kc1 s THR 23 Ca 0.24 1.39 -0.22 0.00 0.31 0.00 0.00 61.69 63.40 2kc1 s THR 23 Cb 0.15 -3.89 -0.09 0.00 0.01 0.00 0.00 72.50 68.68 2kc1 s THR 23 CO 0.12 0.18 1.03 -0.04 -0.69 0.00 0.00 174.62 175.21 2kc1 s MET 24 N 0.30 4.08 0.11 4.92 -1.94 -1.26 -0.68 119.30 124.83 2kc1 s MET 24 Ca 0.55 1.39 -0.22 0.00 -1.71 0.00 0.00 55.69 55.71 2kc1 s MET 24 Cb -0.31 -2.35 -0.07 0.00 2.01 0.00 0.00 34.83 34.10 2kc1 s MET 24 CO 0.33 -0.20 1.71 0.28 -0.01 0.00 0.00 175.02 177.13 2kc1 h VAL 25 N 1.96 0.82 0.00 -6.03 2.07 -0.93 0.27 116.25 114.41 2kc1 h VAL 25 Ca -0.49 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 66.98 2kc1 h VAL 25 Cb 1.21 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 2kc1 h VAL 25 CO 0.61 0.00 -0.24 0.10 0.02 0.00 0.00 177.57 178.06 2kc1 h TYR 26 N -0.05 0.00 0.10 1.57 -0.00 -1.83 0.53 116.97 117.29 2kc1 h TYR 26 Ca 0.06 0.00 -0.29 0.00 -0.00 0.00 0.00 58.73 58.50 2kc1 h TYR 26 Cb 0.14 0.00 0.03 0.00 -0.00 0.00 0.00 36.73 36.90 2kc1 h TYR 26 CO -0.18 0.24 -1.21 0.22 -0.00 0.00 0.00 178.16 177.24 2kc1 h ASP 27 N 0.00 0.86 -0.51 0.10 3.58 -1.64 -1.11 116.42 117.70 2kc1 h ASP 27 Ca -0.00 -0.78 -0.05 0.00 0.42 0.00 0.00 57.03 56.62 2kc1 h ASP 27 Cb 0.53 -0.27 -0.03 0.00 1.72 0.00 0.00 39.33 41.29 2kc1 h ASP 27 CO 0.03 1.58 0.14 0.00 -2.88 0.00 0.00 179.24 178.11 2kc1 h ALA 28 N 0.34 1.19 -0.83 -0.78 0.00 -0.12 0.19 119.26 119.24 2kc1 h ALA 28 Ca -0.18 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.53 2kc1 h ALA 28 Cb 1.88 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 19.40 2kc1 h ALA 28 CO 0.23 0.56 0.54 0.00 0.00 0.00 0.00 179.25 180.58 2kc1 h ARG 30 N 1.12 0.62 -0.96 0.00 2.43 -0.42 -3.00 114.38 114.16 2kc1 h ARG 30 Ca 0.30 -0.17 0.14 0.00 -0.81 0.00 0.00 59.98 59.44 2kc1 h ARG 30 Cb -0.12 -0.07 -0.09 0.00 -0.42 0.00 0.00 29.97 29.27 2kc1 h ARG 30 CO -0.06 0.69 0.58 0.52 -1.51 0.00 0.00 179.97 180.18 2kc1 h MET 31 N 0.45 0.81 -1.01 0.20 2.86 -0.16 0.79 114.93 118.88 2kc1 h MET 31 Ca 0.11 -0.05 0.06 0.00 -2.06 0.00 0.00 59.70 57.76 2kc1 h MET 31 Cb 0.38 -0.18 -0.06 0.00 0.06 0.00 0.00 31.60 31.79 2kc1 h MET 31 CO 0.01 0.54 0.65 0.82 1.06 0.00 0.00 176.91 179.99 2kc1 h ILE 32 N 0.84 1.12 -0.22 -1.22 1.08 -1.19 0.04 117.51 117.96 2kc1 h ILE 32 Ca 0.51 -0.42 -0.18 0.00 -0.39 0.00 0.00 64.86 64.39 2kc1 h ILE 32 Cb 0.63 -0.20 0.00 0.00 -3.07 0.00 0.00 36.82 34.19 2kc1 h ILE 32 CO -0.32 0.22 -0.55 0.03 -0.69 0.00 0.00 178.15 176.84 2kc1 h ARG 33 N 1.21 0.76 -0.32 2.37 3.08 -0.89 0.11 114.38 120.69 2kc1 h ARG 33 Ca 0.42 -0.52 -0.07 0.00 0.07 0.00 0.00 59.98 59.87 2kc1 h ARG 33 Cb 0.11 0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 2kc1 h ARG 33 CO -0.16 1.15 -0.12 0.93 -1.07 0.00 0.00 179.97 180.70 2kc1 h GLU 34 N 0.49 0.54 0.15 0.04 4.39 -0.59 -3.06 114.58 116.54 2kc1 h GLU 34 Ca -0.01 -0.16 -0.34 0.00 0.34 0.00 0.00 59.36 59.19 2kc1 h GLU 34 Cb 1.17 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.76 2kc1 h GLU 34 CO 0.12 0.66 -1.74 -0.09 -1.16 0.00 0.00 179.01 176.80 2kc1 h ARG 35 N 0.50 0.31 -4.85 2.33 9.65 -1.01 -3.45 114.38 117.87 2kc1 h ARG 35 Ca 0.09 -0.53 -0.64 0.00 -1.10 0.00 0.00 59.98 57.80 2kc1 h ARG 35 Cb 0.50 0.20 -0.36 0.00 -1.39 0.00 0.00 29.97 28.93 2kc1 h ARG 35 CO 0.03 1.20 -0.84 0.42 2.80 0.00 0.00 179.97 183.58 2kc1 s ILE 36 N -2.59 1.82 -0.52 1.20 1.01 0.36 -5.00 121.20 117.50 2kc1 s ILE 36 Ca -0.15 -0.84 0.23 0.00 0.00 0.00 0.00 60.65 59.89 2kc1 s ILE 36 Cb 0.06 -1.70 0.24 0.00 0.01 0.00 0.00 42.46 41.07 2kc1 s ILE 36 CO 0.84 0.45 1.70 -0.81 0.00 0.00 0.00 174.94 177.11 2kc1 n PRO 37 N 4.68 0.18 0.23 2.79 -0.04 -1.24 -2.27 135.00 139.33 2kc1 n PRO 37 Ca -0.18 0.41 0.06 0.00 -0.04 0.00 0.00 63.50 63.74 2kc1 n PRO 37 Cb 0.49 -1.85 0.53 0.00 -0.04 0.00 0.00 33.50 32.64 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 0.01 -0.01 0.54 4.39 -1.89 -1.27 114.58 116.35 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 0.36 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 2kc1 h GLU 38 CO 0.00 0.14 -0.13 0.00 -1.16 0.00 0.00 179.01 177.86 2kc1 n ALA 39 N -2.51 2.82 0.83 3.43 0.00 -0.96 -4.26 120.51 119.86 2kc1 n ALA 39 Ca -0.02 -0.46 -0.02 0.00 0.00 0.00 0.00 53.44 52.93 2kc1 n ALA 39 Cb 0.20 -1.10 0.01 0.00 0.00 0.00 0.00 19.45 18.57 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 -0.05 3.25 0.16 0.00 4.77 -0.48 -3.86 117.00 120.79 2kc1 n LEU 40 Ca 0.15 -1.64 0.06 0.00 -0.03 0.00 0.00 56.01 54.55 2kc1 n LEU 40 Cb 0.38 -0.53 0.07 0.00 -2.33 0.00 0.00 43.42 41.02 2kc1 n LEU 40 CO 0.21 0.54 0.56 0.00 -1.33 0.00 0.00 177.39 177.37 2kc1 h ALA 41 N 1.93 0.78 -3.00 -1.18 0.00 -1.78 -3.48 119.26 112.54 2kc1 h ALA 41 Ca 0.05 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 2kc1 h ALA 41 Cb 1.13 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2kc1 h ALA 41 CO 0.08 0.41 0.26 0.20 0.00 0.00 0.00 179.25 180.21 2kc1 s GLY 42 N -4.38 0.42 0.71 0.00 0.00 -1.25 -5.17 107.32 97.65 2kc1 s GLY 42 Ca 0.05 -0.79 -0.12 0.00 0.00 0.00 0.00 44.72 43.86 2kc1 s GLY 42 CO 0.72 -0.34 1.08 -4.14 0.00 0.00 0.00 173.10 170.42 2kc1 s PRO 43 N -2.27 2.69 0.34 2.90 0.02 -1.26 -4.91 135.00 132.52 2kc1 s PRO 43 Ca 0.16 1.15 0.25 0.00 0.02 0.00 0.00 61.00 62.58 2kc1 s PRO 43 Cb -0.05 -1.95 1.22 0.00 0.02 0.00 0.00 34.50 33.74 2kc1 s PRO 43 CO 0.12 -1.30 1.77 -1.35 -0.33 0.00 0.00 177.00 175.90 2kc1 h PRO 44 N -0.60 0.00 0.00 5.54 0.11 -1.91 0.08 132.00 135.23 2kc1 h PRO 44 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2kc1 h PRO 44 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2kc1 h PRO 44 CO 0.54 0.00 -0.62 0.09 -0.21 0.00 0.00 178.00 177.80 2kc1 n ASN 45 N -2.38 0.61 0.03 -2.05 5.03 -1.26 -3.94 115.26 111.30 2kc1 n ASN 45 Ca -0.00 -0.39 -0.14 0.00 0.87 0.00 0.00 54.58 54.92 2kc1 n ASN 45 Cb 0.13 0.42 -0.14 0.00 -1.02 0.00 0.00 39.78 39.17 2kc1 n ASN 45 CO 0.00 0.00 0.00 -0.78 -1.83 0.00 0.00 177.26 174.65 2kc1 h ASP 46 N 0.00 0.23 -5.20 6.41 3.58 -1.33 -3.46 116.42 116.64 2kc1 h ASP 46 Ca 0.00 -0.36 -0.30 0.00 0.42 0.00 0.00 57.03 56.79 2kc1 h ASP 46 Cb 0.51 -0.07 0.04 0.00 1.72 0.00 0.00 39.33 41.53 2kc1 h ASP 46 CO 0.00 1.30 0.01 0.49 -2.88 0.00 0.00 179.24 178.17 2kc1 n PHE 47 N -3.33 -2.82 -3.54 0.28 3.01 -1.17 -2.38 117.46 107.52 2kc1 n PHE 47 Ca -0.16 -1.25 -0.08 0.00 1.01 0.00 0.00 57.45 56.97 2kc1 n PHE 47 Cb 1.03 -0.41 -0.03 0.00 -0.01 0.00 0.00 39.48 40.06 2kc1 n PHE 47 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 2kc1 s GLY 48 N -3.91 -0.38 -0.26 1.37 0.00 -0.01 -4.56 107.32 99.56 2kc1 s GLY 48 Ca 0.41 1.38 -0.24 0.00 0.00 0.00 0.00 44.72 46.27 2kc1 s GLY 48 CO 0.27 0.54 0.79 1.08 0.00 0.00 0.00 173.10 175.78 2kc1 s LEU 49 N -2.10 4.08 -0.32 0.66 1.43 -1.26 -2.57 118.68 118.60 2kc1 s LEU 49 Ca 0.04 0.89 -0.10 0.00 -1.03 0.00 0.00 54.13 53.94 2kc1 s LEU 49 Cb -0.01 -3.12 -0.01 0.00 0.03 0.00 0.00 46.19 43.08 2kc1 s LEU 49 CO -0.06 -0.53 0.17 0.12 0.23 0.00 0.00 176.35 176.28 2kc1 s PHE 50 N 2.84 3.19 -0.62 0.29 5.36 -0.87 -2.05 117.98 126.11 2kc1 s PHE 50 Ca 0.33 -0.50 -0.27 0.00 -0.96 0.00 0.00 56.93 55.54 2kc1 s PHE 50 Cb -0.15 -2.38 -0.01 0.00 -0.34 0.00 0.00 43.02 40.15 2kc1 s PHE 50 CO 0.09 -0.43 1.70 -1.17 -1.46 0.00 0.00 175.22 173.95 2kc1 s LEU 51 N 1.63 3.28 0.46 6.12 2.96 0.06 -0.84 118.68 132.36 2kc1 s LEU 51 Ca 0.05 0.20 -0.21 0.00 -0.22 0.00 0.00 54.13 53.95 2kc1 s LEU 51 Cb -0.17 -2.61 -0.08 0.00 0.50 0.00 0.00 46.19 43.82 2kc1 s LEU 51 CO 0.07 -2.19 1.05 -0.44 -1.32 0.00 0.00 176.35 173.52 2kc1 s SER 52 N 6.83 6.41 0.19 3.68 0.01 -1.08 -2.66 113.70 127.08 2kc1 s SER 52 Ca 0.60 1.99 -0.04 0.00 1.31 0.00 0.00 55.95 59.82 2kc1 s SER 52 Cb -0.12 -2.57 -0.03 0.00 0.21 0.00 0.00 66.02 63.51 2kc1 s SER 52 CO 0.20 -0.74 0.18 -0.62 0.41 0.00 0.00 173.24 172.68 2kc1 s ASP 53 N -1.82 0.14 0.45 2.44 -1.08 -1.26 -4.75 116.67 110.78 2kc1 s ASP 53 Ca 0.65 -1.22 0.19 0.00 -0.52 0.00 0.00 52.55 51.64 2kc1 s ASP 53 Cb -0.19 0.40 1.06 0.00 -1.46 0.00 0.00 42.92 42.73 2kc1 s ASP 53 CO 0.23 -0.87 1.95 0.44 0.52 0.00 0.00 175.17 177.45 2kc1 h ASP 54 N 2.61 0.00 -3.49 -0.34 5.19 -1.97 -3.39 116.42 115.03 2kc1 h ASP 54 Ca -0.34 0.00 -0.64 0.00 -0.62 0.00 0.00 57.03 55.43 2kc1 h ASP 54 Cb 1.24 0.00 -0.23 0.00 0.18 0.00 0.00 39.33 40.52 2kc1 h ASP 54 CO 0.51 0.23 -0.65 -0.62 -3.12 0.00 0.00 179.24 175.59 2kc1 s ASP 55 N -6.62 4.96 0.60 6.45 -1.08 -1.26 -5.00 116.67 114.72 2kc1 s ASP 55 Ca -0.03 -0.20 0.34 0.00 -0.52 0.00 0.00 52.55 52.15 2kc1 s ASP 55 Cb 0.14 -1.86 1.93 0.00 -1.46 0.00 0.00 42.92 41.66 2kc1 s ASP 55 CO 0.66 0.03 2.25 1.55 0.52 0.00 0.00 175.17 180.18 2kc1 h PRO 56 N 7.74 0.00 0.00 4.34 0.13 -1.96 -1.14 132.00 141.10 2kc1 h PRO 56 Ca -0.37 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.72 2kc1 h PRO 56 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 2kc1 h PRO 56 CO 0.60 0.02 -0.85 -0.22 -0.23 0.00 0.00 178.00 177.33 2kc1 h LYS 57 N 0.00 0.00 0.00 0.86 3.64 -1.94 -3.06 116.57 116.07 2kc1 h LYS 57 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2kc1 h LYS 57 Cb 0.09 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 2kc1 h LYS 57 CO 0.00 0.09 0.00 1.63 -2.27 0.00 0.00 179.45 178.90 2kc1 n LYS 58 N -2.84 0.24 -2.41 1.90 5.02 -0.45 -4.74 118.16 114.88 2kc1 n LYS 58 Ca -0.01 0.27 -0.42 0.00 -2.02 0.00 0.00 58.31 56.13 2kc1 n LYS 58 Cb 0.61 -1.82 -0.03 0.00 -0.02 0.00 0.00 35.03 33.78 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 -3.55 2.15 0.16 0.72 0.00 -1.08 -4.84 107.32 100.88 2kc1 s GLY 59 Ca 0.09 0.73 0.06 0.00 0.00 0.00 0.00 44.72 45.60 2kc1 s GLY 59 CO 0.53 2.21 -0.13 -0.26 0.00 0.00 0.00 173.10 175.45 2kc1 s ILE 60 N 1.91 1.46 -0.17 0.90 -4.36 -1.09 -4.93 121.20 114.93 2kc1 s ILE 60 Ca 0.58 -2.01 -0.24 0.00 -0.26 0.00 0.00 60.65 58.72 2kc1 s ILE 60 Cb -0.27 -1.83 -0.02 0.00 1.25 0.00 0.00 42.46 41.59 2kc1 s ILE 60 CO 0.25 -0.57 0.78 0.26 0.24 0.00 0.00 174.94 175.90 2kc1 s TRP 61 N -2.78 3.43 0.18 1.37 0.52 -1.26 -0.76 118.94 119.64 2kc1 s TRP 61 Ca 0.16 1.19 -0.30 0.00 0.02 0.00 0.00 56.10 57.18 2kc1 s TRP 61 Cb -0.01 -2.95 -0.08 0.00 -1.15 0.00 0.00 33.47 29.27 2kc1 s TRP 61 CO 0.04 -0.20 1.14 -0.51 0.02 0.00 0.00 176.95 177.44 2kc1 s LEU 62 N 1.98 4.47 0.09 2.99 1.43 -0.87 -4.98 118.68 123.79 2kc1 s LEU 62 Ca 0.36 2.16 -0.31 0.00 -1.03 0.00 0.00 54.13 55.32 2kc1 s LEU 62 Cb -0.17 -3.61 -0.07 0.00 0.03 0.00 0.00 46.19 42.38 2kc1 s LEU 62 CO 0.13 -0.29 1.35 -1.61 0.23 0.00 0.00 176.35 176.16 2kc1 s GLU 63 N -0.35 4.34 0.32 1.70 2.02 -1.26 -4.76 118.70 120.70 2kc1 s GLU 63 Ca 0.51 1.99 0.01 0.00 0.02 0.00 0.00 54.97 57.50 2kc1 s GLU 63 Cb -0.31 -3.32 0.56 0.00 0.10 0.00 0.00 34.13 31.16 2kc1 s GLU 63 CO 0.36 -0.42 1.94 0.00 0.02 0.00 0.00 175.26 177.16 2kc1 h ALA 64 N 6.97 1.53 -0.04 5.21 0.00 -1.93 -1.06 119.26 129.93 2kc1 h ALA 64 Ca -0.41 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2kc1 h ALA 64 Cb 1.21 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.73 2kc1 h ALA 64 CO 0.86 0.37 0.00 0.41 0.00 0.00 0.00 179.25 180.88 2kc1 n GLY 65 N -1.41 0.61 3.46 0.00 0.00 -1.26 -3.67 105.19 102.91 2kc1 n GLY 65 Ca 0.12 -0.05 -0.23 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.45 1.63 0.52 1.61 -0.14 -0.40 -5.02 119.74 116.50 2kc1 s LYS 66 Ca 0.03 -1.78 0.01 0.00 -1.36 0.00 0.00 55.97 52.87 2kc1 s LYS 66 Cb 0.02 -1.57 0.02 0.00 -1.68 0.00 0.00 37.83 34.62 2kc1 s LYS 66 CO 0.01 0.23 0.75 0.00 -0.76 0.00 0.00 175.35 175.58 2kc1 s ALA 67 N -2.67 3.86 0.05 5.17 0.00 -1.26 -0.59 121.76 126.32 2kc1 s ALA 67 Ca 0.29 -1.26 -0.18 0.00 0.00 0.00 0.00 51.96 50.81 2kc1 s ALA 67 Cb -0.02 -2.09 -0.14 0.00 0.00 0.00 0.00 23.12 20.87 2kc1 s ALA 67 CO 0.14 -0.65 1.32 -0.07 0.00 0.00 0.00 175.76 176.49 2kc1 h LEU 68 N 0.16 0.53 -2.13 0.00 3.38 -1.00 -3.01 115.31 113.24 2kc1 h LEU 68 Ca -0.43 -0.54 0.03 0.00 0.09 0.00 0.00 57.88 57.03 2kc1 h LEU 68 Cb 1.28 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.88 2kc1 h LEU 68 CO 0.53 0.96 0.09 -0.78 0.09 0.00 0.00 178.44 179.34 2kc1 h ASP 69 N 0.11 0.00 -0.64 -0.43 3.58 -1.65 -1.70 116.42 115.69 2kc1 h ASP 69 Ca 0.01 0.00 0.09 0.00 0.42 0.00 0.00 57.03 57.55 2kc1 h ASP 69 Cb 0.86 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.87 2kc1 h ASP 69 CO 0.06 0.00 0.42 0.22 -2.88 0.00 0.00 179.24 177.07 2kc1 h TYR 70 N 0.00 0.53 -0.49 0.28 3.20 -1.79 -1.33 116.97 117.37 2kc1 h TYR 70 Ca 0.05 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.93 2kc1 h TYR 70 Cb 0.22 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.32 2kc1 h TYR 70 CO 0.00 0.26 0.00 0.66 -1.64 0.00 0.00 178.16 177.44 2kc1 n TYR 71 N -4.48 0.66 -1.49 -3.82 4.01 -0.64 -4.92 117.16 106.48 2kc1 n TYR 71 Ca 0.10 -0.33 -0.17 0.00 -0.16 0.00 0.00 57.90 57.35 2kc1 n TYR 71 Cb 0.34 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.30 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 0.99 -1.17 -2.60 -0.72 2.81 -0.50 -4.97 117.12 110.96 2kc1 n MET 72 Ca 0.17 1.09 -0.35 0.00 -1.81 0.00 0.00 57.70 56.81 2kc1 n MET 72 Cb 0.43 -5.31 -0.04 0.00 -0.71 0.00 0.00 33.22 27.59 2kc1 n MET 72 CO 0.00 0.00 0.00 -0.48 1.51 0.00 0.00 175.97 177.00 2kc1 s LEU 73 N -3.83 3.97 0.00 4.03 0.05 -1.26 -5.05 118.68 116.59 2kc1 s LEU 73 Ca 0.00 1.92 0.03 0.00 0.05 0.00 0.00 54.13 56.13 2kc1 s LEU 73 Cb 0.00 -4.42 -0.01 0.00 -2.05 0.00 0.00 46.19 39.71 2kc1 s LEU 73 CO 0.00 -0.60 0.10 0.54 -0.55 0.00 0.00 176.35 175.84 2kc1 n ARG 74 N -0.57 0.63 -2.20 1.48 1.74 -1.26 -4.82 116.66 111.67 2kc1 n ARG 74 Ca 0.07 -1.97 -0.43 0.00 -0.77 0.00 0.00 57.85 54.76 2kc1 n ARG 74 Cb 0.52 1.18 -0.02 0.00 -1.02 0.00 0.00 32.46 33.11 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 -2.42 6.80 0.00 0.55 2.47 -1.25 -2.53 114.94 118.55 2kc1 s ASN 75 Ca 0.14 1.98 0.00 0.00 0.42 0.00 0.00 52.86 55.40 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 0.10 -0.85 0.00 0.61 -3.72 0.00 0.00 177.10 173.24 2kc1 n GLY 76 N 3.89 1.08 3.79 1.21 0.00 0.38 -4.97 105.19 110.58 2kc1 n GLY 76 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.89 4.80 -0.08 1.61 1.01 -1.05 -4.68 116.67 116.38 2kc1 s ASP 77 Ca 0.00 1.61 0.04 0.00 0.71 0.00 0.00 52.55 54.91 2kc1 s ASP 77 Cb 0.00 -2.39 -0.00 0.00 1.01 0.00 0.00 42.92 41.54 2kc1 s ASP 77 CO 0.00 -1.81 -0.22 -0.89 0.21 0.00 0.00 175.17 172.45 2kc1 s THR 78 N -3.01 1.90 -0.01 -1.27 2.01 -1.26 0.41 115.64 114.40 2kc1 s THR 78 Ca 0.60 -0.94 0.04 0.00 0.31 0.00 0.00 61.69 61.70 2kc1 s THR 78 Cb -0.15 -1.64 -0.01 0.00 0.01 0.00 0.00 72.50 70.71 2kc1 s THR 78 CO 0.55 0.53 -0.13 -0.04 -0.69 0.00 0.00 174.62 174.84 2kc1 s MET 79 N 0.27 1.09 -0.45 4.92 -1.94 -0.11 -2.63 119.30 120.44 2kc1 s MET 79 Ca -0.15 -0.45 -0.18 0.00 -1.71 0.00 0.00 55.69 53.20 2kc1 s MET 79 Cb -0.17 -1.03 0.04 0.00 2.01 0.00 0.00 34.83 35.68 2kc1 s MET 79 CO 0.07 0.25 0.53 -1.21 -0.01 0.00 0.00 175.02 174.65 2kc1 s GLU 80 N -0.20 3.13 -0.41 2.03 2.02 -0.02 -0.72 118.70 124.52 2kc1 s GLU 80 Ca 0.03 -0.77 -0.29 0.00 0.02 0.00 0.00 54.97 53.96 2kc1 s GLU 80 Cb -0.06 -4.02 0.01 0.00 0.10 0.00 0.00 34.13 30.16 2kc1 s GLU 80 CO -0.00 -1.01 1.40 -0.47 0.02 0.00 0.00 175.26 175.20 2kc1 s TYR 81 N 2.38 2.42 0.16 1.61 6.14 -0.74 -2.04 117.35 127.28 2kc1 s TYR 81 Ca 0.14 0.68 -0.07 0.00 0.64 0.00 0.00 57.07 58.46 2kc1 s TYR 81 Cb -0.18 -4.31 -0.02 0.00 0.42 0.00 0.00 41.96 37.88 2kc1 s TYR 81 CO 0.14 -1.95 0.23 -0.98 0.64 0.00 0.00 175.55 173.63 2kc1 s ARG 82 N 4.91 1.11 0.07 4.97 1.70 -1.06 -4.21 118.95 126.44 2kc1 s ARG 82 Ca 0.61 -1.24 -0.30 0.00 -0.47 0.00 0.00 55.73 54.33 2kc1 s ARG 82 Cb -0.13 0.35 -0.05 0.00 -0.57 0.00 0.00 34.95 34.54 2kc1 s ARG 82 CO 0.32 -0.39 1.12 0.21 -1.08 0.00 0.00 175.30 175.49 2kc1 s LYS 83 N -3.99 4.50 0.80 3.89 2.20 -1.26 -0.83 119.74 125.05 2kc1 s LYS 83 Ca 0.19 1.67 -0.11 0.00 -0.36 0.00 0.00 55.97 57.36 2kc1 s LYS 83 Cb 0.04 -3.36 0.08 0.00 -1.51 0.00 0.00 37.83 33.08 2kc1 s LYS 83 CO 0.01 -0.13 1.16 -1.59 -0.36 0.00 0.00 175.35 174.44 2kc1 s LYS 84 N 0.73 2.01 0.00 4.03 -2.85 -1.00 -4.87 119.74 117.78 2kc1 s LYS 84 Ca 0.55 0.08 0.00 0.00 -1.00 0.00 0.00 55.97 55.60 2kc1 s LYS 84 Cb -0.27 -1.97 0.00 0.00 -2.06 0.00 0.00 37.83 33.52 2kc1 s LYS 84 CO 0.30 -1.55 0.00 0.00 0.10 0.00 0.00 175.35 174.20