#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 1.87 0.14 -0.61 -1.09 -1.26 -5.13 121.20 115.12 2kc1 s ILE -4 Ca 0.00 -0.88 -0.12 0.00 -2.23 0.00 0.00 60.65 57.42 2kc1 s ILE -4 Cb 0.00 -1.65 -0.07 0.00 -1.58 0.00 0.00 42.46 39.16 2kc1 s ILE -4 CO 0.00 0.51 0.51 1.51 -1.23 0.00 0.00 174.94 176.24 2kc1 s ASP -3 N 0.70 6.74 0.81 3.58 -4.77 -1.26 -5.07 116.67 117.41 2kc1 s ASP -3 Ca -0.11 0.97 -0.12 0.00 -3.30 0.00 0.00 52.55 49.99 2kc1 s ASP -3 Cb -0.16 -2.25 0.09 0.00 -1.09 0.00 0.00 42.92 39.51 2kc1 s ASP -3 CO 0.02 0.10 1.17 -2.16 0.70 0.00 0.00 175.17 174.99 2kc1 s PRO -2 N -2.06 1.69 0.00 2.11 0.04 -1.26 -4.94 135.00 130.58 2kc1 s PRO -2 Ca 0.38 1.59 0.22 0.00 0.04 0.00 0.00 61.00 63.23 2kc1 s PRO -2 Cb -0.14 -1.80 0.54 0.00 0.04 0.00 0.00 34.50 33.14 2kc1 s PRO -2 CO 0.19 -2.14 1.47 1.19 0.04 0.00 0.00 177.00 177.75 2kc1 n PHE -1 N -3.46 0.72 -2.17 0.56 3.72 -1.26 -4.99 117.46 110.58 2kc1 n PHE -1 Ca 0.12 -0.36 -0.02 0.00 -0.05 0.00 0.00 57.45 57.14 2kc1 n PHE -1 Cb 0.51 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.04 2kc1 n PHE -1 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 2kc1 n THR 0 N 1.50 -8.40 -0.85 4.37 -1.04 -1.26 -4.72 114.28 103.88 2kc1 n THR 0 Ca 0.22 1.39 0.11 0.00 -2.04 0.00 0.00 64.05 63.73 2kc1 n THR 0 Cb 0.59 -5.50 -0.03 0.00 -1.82 0.00 0.00 70.33 63.58 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 0.73 -1.72 -2.25 -2.82 2.81 -1.26 -4.39 117.12 108.22 2kc1 n MET 1 Ca -0.14 1.15 -0.36 0.00 -1.81 0.00 0.00 57.70 56.55 2kc1 n MET 1 Cb 0.21 -2.09 -0.04 0.00 -0.71 0.00 0.00 33.22 30.59 2kc1 n MET 1 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 2kc1 s VAL 2 N -1.83 3.57 0.03 2.03 1.01 -1.26 -4.97 120.40 118.99 2kc1 s VAL 2 Ca 0.00 -0.14 0.02 0.00 0.00 0.00 0.00 61.98 61.86 2kc1 s VAL 2 Cb 0.00 -4.38 -0.04 0.00 0.00 0.00 0.00 36.38 31.96 2kc1 s VAL 2 CO 0.00 -1.32 0.02 0.00 0.00 0.00 0.00 175.10 173.80 2kc1 s ALA 3 N 7.89 3.37 -0.48 5.51 0.00 -1.26 -4.23 121.76 132.57 2kc1 s ALA 3 Ca 0.57 -0.99 -0.15 0.00 0.00 0.00 0.00 51.96 51.40 2kc1 s ALA 3 Cb -0.07 -1.35 0.08 0.00 0.00 0.00 0.00 23.12 21.78 2kc1 s ALA 3 CO 0.06 0.68 0.39 -0.51 0.00 0.00 0.00 175.76 176.39 2kc1 s LEU 4 N -1.90 5.66 -0.47 0.00 1.02 0.14 -4.81 118.68 118.32 2kc1 s LEU 4 Ca 0.23 -1.43 -0.23 0.00 0.02 0.00 0.00 54.13 52.72 2kc1 s LEU 4 Cb -0.12 -2.16 0.03 0.00 0.02 0.00 0.00 46.19 43.96 2kc1 s LEU 4 CO 0.15 -0.67 0.80 -0.55 0.02 0.00 0.00 176.35 176.10 2kc1 s SER 5 N 2.70 6.39 0.21 2.29 0.15 -1.26 -0.35 113.70 123.84 2kc1 s SER 5 Ca 0.04 -0.21 0.11 0.00 0.70 0.00 0.00 55.95 56.59 2kc1 s SER 5 Cb -0.25 -2.39 -0.05 0.00 -1.71 0.00 0.00 66.02 61.63 2kc1 s SER 5 CO 0.05 -0.97 -0.23 -0.76 1.20 0.00 0.00 173.24 172.53 2kc1 s LEU 6 N 3.37 2.47 -0.46 3.45 1.02 -0.67 0.47 118.68 128.33 2kc1 s LEU 6 Ca 0.29 -0.91 -0.21 0.00 0.02 0.00 0.00 54.13 53.32 2kc1 s LEU 6 Cb -0.13 -1.13 0.03 0.00 0.02 0.00 0.00 46.19 44.98 2kc1 s LEU 6 CO 0.21 0.09 0.68 -0.54 0.02 0.00 0.00 176.35 176.82 2kc1 s LYS 7 N -2.89 3.27 -0.44 1.70 -0.14 0.20 -2.02 119.74 119.41 2kc1 s LYS 7 Ca 0.23 -0.43 -0.23 0.00 -1.36 0.00 0.00 55.97 54.18 2kc1 s LYS 7 Cb -0.07 -3.99 0.02 0.00 -1.68 0.00 0.00 37.83 32.12 2kc1 s LYS 7 CO 0.11 -1.10 0.76 0.42 -0.76 0.00 0.00 175.35 174.77 2kc1 s ILE 8 N 2.93 4.69 -0.61 2.17 -1.09 0.15 -0.32 121.20 129.12 2kc1 s ILE 8 Ca 0.23 0.39 -0.22 0.00 -2.23 0.00 0.00 60.65 58.82 2kc1 s ILE 8 Cb -0.15 -4.29 0.07 0.00 -1.58 0.00 0.00 42.46 36.51 2kc1 s ILE 8 CO 0.18 -0.68 0.89 -0.55 -1.23 0.00 0.00 174.94 173.55 2kc1 s SER 9 N 2.09 6.21 -0.50 3.58 0.15 0.73 0.28 113.70 126.24 2kc1 s SER 9 Ca 0.28 -0.91 -0.12 0.00 0.70 0.00 0.00 55.95 55.91 2kc1 s SER 9 Cb -0.13 -2.39 0.13 0.00 -1.71 0.00 0.00 66.02 61.92 2kc1 s SER 9 CO 0.22 -1.29 0.41 -0.63 1.20 0.00 0.00 173.24 173.15 2kc1 s ILE 10 N 3.69 4.61 0.00 6.45 1.01 0.33 -2.97 121.20 134.32 2kc1 s ILE 10 Ca 0.22 -1.70 0.00 0.00 0.00 0.00 0.00 60.65 59.17 2kc1 s ILE 10 Cb -0.17 -4.00 0.00 0.00 0.01 0.00 0.00 42.46 38.30 2kc1 s ILE 10 CO 0.12 -0.82 0.00 0.61 0.00 0.00 0.00 174.94 174.85 2kc1 n GLY 11 N 5.01 1.57 0.16 6.18 0.00 -1.26 -1.99 105.19 114.87 2kc1 n GLY 11 Ca -0.10 -0.04 0.02 0.00 0.00 0.00 0.00 46.02 45.90 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 9.92 1.58 -4.59 1.61 6.94 -1.26 -4.99 115.26 124.47 2kc1 n ASN 12 Ca 0.00 -1.39 -0.35 0.00 -0.02 0.00 0.00 54.58 52.82 2kc1 n ASN 12 Cb 0.00 -0.02 -0.10 0.00 -2.36 0.00 0.00 39.78 37.29 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 -0.49 4.66 -0.24 3.53 1.01 -0.84 -5.08 120.40 122.95 2kc1 s VAL 13 Ca 0.05 -0.07 -0.08 0.00 0.00 0.00 0.00 61.98 61.87 2kc1 s VAL 13 Cb 0.03 -3.11 -0.04 0.00 0.00 0.00 0.00 36.38 33.26 2kc1 s VAL 13 CO 0.05 0.43 0.10 -0.69 0.00 0.00 0.00 175.10 174.98 2kc1 s VAL 14 N 0.64 4.68 -0.26 2.92 1.01 -1.26 -0.51 120.40 127.61 2kc1 s VAL 14 Ca 0.03 -0.05 -0.08 0.00 0.00 0.00 0.00 61.98 61.88 2kc1 s VAL 14 Cb -0.13 -3.18 -0.02 0.00 0.00 0.00 0.00 36.38 33.05 2kc1 s VAL 14 CO 0.02 0.35 0.08 -0.54 0.00 0.00 0.00 175.10 175.01 2kc1 s LYS 15 N 1.29 3.53 -0.47 2.72 -0.14 0.14 -4.88 119.74 121.93 2kc1 s LYS 15 Ca 0.05 -0.57 -0.26 0.00 -1.36 0.00 0.00 55.97 53.84 2kc1 s LYS 15 Cb -0.15 -3.36 0.03 0.00 -1.68 0.00 0.00 37.83 32.67 2kc1 s LYS 15 CO 0.04 -0.26 0.95 0.99 -0.76 0.00 0.00 175.35 176.31 2kc1 s THR 16 N 1.60 4.44 0.13 2.17 2.01 -1.26 0.31 115.64 125.04 2kc1 s THR 16 Ca 0.06 0.76 0.04 0.00 0.31 0.00 0.00 61.69 62.85 2kc1 s THR 16 Cb -0.16 -4.46 -0.04 0.00 0.01 0.00 0.00 72.50 67.85 2kc1 s THR 16 CO 0.04 -0.87 -0.09 -0.04 -0.69 0.00 0.00 174.62 172.96 2kc1 s MET 17 N 3.84 0.99 -0.21 4.92 -1.94 -0.85 -5.00 119.30 121.04 2kc1 s MET 17 Ca 0.38 -1.41 -0.08 0.00 -1.71 0.00 0.00 55.69 52.86 2kc1 s MET 17 Cb -0.10 -0.51 -0.04 0.00 2.01 0.00 0.00 34.83 36.19 2kc1 s MET 17 CO 0.26 0.05 0.09 -0.65 -0.01 0.00 0.00 175.02 174.77 2kc1 s GLN 18 N -3.76 3.93 0.36 2.03 -1.52 -1.26 -1.66 119.66 117.78 2kc1 s GLN 18 Ca 0.15 -0.35 0.08 0.00 -1.95 0.00 0.00 55.36 53.29 2kc1 s GLN 18 Cb 0.03 -3.33 -0.06 0.00 -0.22 0.00 0.00 33.01 29.44 2kc1 s GLN 18 CO -0.01 0.11 0.04 -0.06 -0.25 0.00 0.00 175.29 175.13 2kc1 s PHE 19 N 0.83 2.56 0.09 0.91 0.08 0.53 -4.91 117.98 118.07 2kc1 s PHE 19 Ca 0.05 -0.49 0.02 0.00 0.12 0.00 0.00 56.93 56.63 2kc1 s PHE 19 Cb -0.13 -1.61 -0.04 0.00 -0.57 0.00 0.00 43.02 40.67 2kc1 s PHE 19 CO 0.02 0.42 0.17 -1.21 -0.10 0.00 0.00 175.22 174.52 2kc1 s GLU 20 N -3.75 3.21 0.21 0.44 8.01 -1.26 0.26 118.70 125.82 2kc1 s GLU 20 Ca 0.36 -0.58 -0.04 0.00 0.01 0.00 0.00 54.97 54.71 2kc1 s GLU 20 Cb 0.02 -2.89 0.18 0.00 -4.31 0.00 0.00 34.13 27.12 2kc1 s GLU 20 CO 0.20 0.57 1.61 -1.00 0.01 0.00 0.00 175.26 176.65 2kc1 h PRO 21 N 2.95 0.75 0.00 0.39 0.13 -1.96 -2.76 132.00 131.50 2kc1 h PRO 21 Ca -0.46 -0.32 0.00 0.00 -0.87 0.00 0.00 66.00 64.35 2kc1 h PRO 21 Cb 1.17 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2kc1 h PRO 21 CO 0.70 0.93 0.00 -1.13 -0.23 0.00 0.00 178.00 178.27 2kc1 n SER 22 N -4.10 0.00 -4.72 1.44 3.41 -1.26 -1.93 113.62 106.46 2kc1 n SER 22 Ca -0.00 0.34 -0.42 0.00 -0.26 0.00 0.00 58.87 58.53 2kc1 n SER 22 Cb 0.45 -0.44 -0.03 0.00 -0.26 0.00 0.00 64.21 63.94 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 -2.87 3.16 0.49 6.66 2.01 -1.04 -4.83 115.64 119.21 2kc1 s THR 23 Ca 0.15 0.87 -0.15 0.00 0.31 0.00 0.00 61.69 62.87 2kc1 s THR 23 Cb 0.15 -3.56 -0.07 0.00 0.01 0.00 0.00 72.50 69.03 2kc1 s THR 23 CO 0.41 0.09 0.93 -0.04 -0.69 0.00 0.00 174.62 175.31 2kc1 s MET 24 N 0.69 3.89 0.22 4.92 -1.94 -1.26 -0.20 119.30 125.62 2kc1 s MET 24 Ca 0.63 0.81 -0.08 0.00 -1.71 0.00 0.00 55.69 55.34 2kc1 s MET 24 Cb -0.38 -2.21 0.25 0.00 2.01 0.00 0.00 34.83 34.50 2kc1 s MET 24 CO 0.33 -0.21 1.85 0.28 -0.01 0.00 0.00 175.02 177.26 2kc1 h VAL 25 N 0.93 1.07 -0.19 -6.03 2.07 -0.40 0.97 116.25 114.68 2kc1 h VAL 25 Ca -0.47 -0.31 -0.03 0.00 0.82 0.00 0.00 66.70 66.71 2kc1 h VAL 25 Cb 1.19 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 2kc1 h VAL 25 CO 0.62 0.17 -0.04 0.10 0.02 0.00 0.00 177.57 178.44 2kc1 h TYR 26 N 0.91 0.29 0.06 1.57 -0.00 -1.80 -0.20 116.97 117.80 2kc1 h TYR 26 Ca 0.32 -0.02 -0.24 0.00 -0.00 0.00 0.00 58.73 58.79 2kc1 h TYR 26 Cb 0.08 -0.09 -0.01 0.00 -0.00 0.00 0.00 36.73 36.71 2kc1 h TYR 26 CO -0.04 0.33 -1.09 0.22 -0.00 0.00 0.00 178.16 177.59 2kc1 h ASP 27 N 0.28 0.24 -0.51 0.10 3.58 -1.47 -2.32 116.42 116.32 2kc1 h ASP 27 Ca 0.06 -0.25 -0.09 0.00 0.42 0.00 0.00 57.03 57.18 2kc1 h ASP 27 Cb 0.25 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 41.20 2kc1 h ASP 27 CO 0.01 1.16 0.00 0.00 -2.88 0.00 0.00 179.24 177.54 2kc1 h ALA 28 N 0.80 0.97 -0.52 -0.78 0.00 -0.21 -0.65 119.26 118.87 2kc1 h ALA 28 Ca -0.07 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.52 2kc1 h ALA 28 Cb 1.81 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 19.36 2kc1 h ALA 28 CO 0.16 0.63 0.21 0.00 0.00 0.00 0.00 179.25 180.25 2kc1 h ARG 30 N 0.74 0.23 -0.85 0.00 2.43 -0.81 -2.87 114.38 113.26 2kc1 h ARG 30 Ca 0.18 -0.12 -0.00 0.00 -0.81 0.00 0.00 59.98 59.23 2kc1 h ARG 30 Cb 0.14 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.65 2kc1 h ARG 30 CO -0.02 0.64 0.52 0.52 -1.51 0.00 0.00 179.97 180.12 2kc1 h MET 31 N 0.19 1.14 -0.43 0.20 2.86 -0.47 -0.84 114.93 117.58 2kc1 h MET 31 Ca 0.01 -0.09 -0.01 0.00 -2.06 0.00 0.00 59.70 57.55 2kc1 h MET 31 Cb 0.87 -0.24 -0.02 0.00 0.06 0.00 0.00 31.60 32.26 2kc1 h MET 31 CO 0.07 0.79 0.22 0.82 1.06 0.00 0.00 176.91 179.87 2kc1 h ILE 32 N 1.16 1.14 0.00 -1.22 1.08 -1.31 -1.47 117.51 116.89 2kc1 h ILE 32 Ca 0.31 -0.37 -0.10 0.00 -0.39 0.00 0.00 64.86 64.31 2kc1 h ILE 32 Cb -0.07 0.57 -0.01 0.00 -3.07 0.00 0.00 36.82 34.24 2kc1 h ILE 32 CO -0.06 0.16 -0.49 0.03 -0.69 0.00 0.00 178.15 177.10 2kc1 h ARG 33 N 0.59 0.00 -0.05 2.37 3.08 -1.06 0.30 114.38 119.61 2kc1 h ARG 33 Ca 0.15 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.15 2kc1 h ARG 33 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.09 2kc1 h ARG 33 CO -0.02 0.49 -0.17 0.93 -1.07 0.00 0.00 179.97 180.12 2kc1 h GLU 34 N 0.00 0.21 0.00 0.04 5.08 -0.30 -3.36 114.58 116.25 2kc1 h GLU 34 Ca -0.00 -0.15 -0.15 0.00 -1.00 0.00 0.00 59.36 58.05 2kc1 h GLU 34 Cb 0.97 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.23 2kc1 h GLU 34 CO 0.06 0.78 -1.07 0.00 -1.00 0.00 0.00 179.01 177.78 2kc1 h ARG 35 N -0.32 0.00 -4.53 2.33 2.47 -1.23 -3.45 114.38 109.65 2kc1 h ARG 35 Ca -0.01 0.00 -0.54 0.00 -1.26 0.00 0.00 59.98 58.17 2kc1 h ARG 35 Cb 0.79 0.00 -0.35 0.00 -1.65 0.00 0.00 29.97 28.77 2kc1 h ARG 35 CO 0.04 0.42 -0.82 0.42 0.56 0.00 0.00 179.97 180.59 2kc1 s ILE 36 N -2.91 1.23 -0.03 2.04 1.01 0.11 -5.01 121.20 117.63 2kc1 s ILE 36 Ca -0.00 -0.48 0.23 0.00 0.00 0.00 0.00 60.65 60.39 2kc1 s ILE 36 Cb 0.08 -1.15 0.23 0.00 0.01 0.00 0.00 42.46 41.64 2kc1 s ILE 36 CO 0.79 0.39 1.72 1.55 0.00 0.00 0.00 174.94 179.39 2kc1 h PRO 37 N 7.42 0.00 0.00 2.79 0.13 -1.80 -3.13 132.00 137.41 2kc1 h PRO 37 Ca -0.31 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.78 2kc1 h PRO 37 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 2kc1 h PRO 37 CO 0.46 0.22 -0.19 0.93 -0.23 0.00 0.00 178.00 179.20 2kc1 h GLU 38 N 0.00 0.00 0.00 0.86 5.08 -1.92 -1.07 114.58 117.54 2kc1 h GLU 38 Ca -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2kc1 h GLU 38 Cb 0.90 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.15 2kc1 h GLU 38 CO 0.03 0.19 -0.04 0.00 -1.00 0.00 0.00 179.01 178.19 2kc1 h ALA 39 N 1.81 1.12 -0.23 3.43 0.00 -1.81 -2.55 119.26 121.02 2kc1 h ALA 39 Ca -0.00 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 2kc1 h ALA 39 Cb 0.34 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2kc1 h ALA 39 CO 0.02 0.05 0.05 1.28 0.00 0.00 0.00 179.25 180.66 2kc1 n LEU 40 N -3.31 2.98 0.20 0.00 4.77 -0.40 -4.11 117.00 117.14 2kc1 n LEU 40 Ca -0.02 -1.52 0.14 0.00 -0.03 0.00 0.00 56.01 54.58 2kc1 n LEU 40 Cb 0.19 -0.58 0.42 0.00 -2.33 0.00 0.00 43.42 41.13 2kc1 n LEU 40 CO 0.26 0.45 0.89 0.00 -1.33 0.00 0.00 177.39 177.65 2kc1 h ALA 41 N 2.44 1.00 -2.98 -1.18 0.00 -1.62 -3.47 119.26 113.45 2kc1 h ALA 41 Ca 0.05 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 2kc1 h ALA 41 Cb 1.15 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 2kc1 h ALA 41 CO 0.21 0.00 0.12 0.20 0.00 0.00 0.00 179.25 179.79 2kc1 s GLY 42 N -3.98 0.83 0.69 0.00 0.00 -1.26 -5.16 107.32 98.45 2kc1 s GLY 42 Ca 0.06 -1.07 -0.16 0.00 0.00 0.00 0.00 44.72 43.54 2kc1 s GLY 42 CO 0.57 -0.57 1.23 -4.14 0.00 0.00 0.00 173.10 170.19 2kc1 s PRO 43 N -2.38 2.38 0.22 2.90 0.02 -1.26 -4.93 135.00 131.95 2kc1 s PRO 43 Ca 0.21 1.84 -0.08 0.00 0.02 0.00 0.00 61.00 62.99 2kc1 s PRO 43 Cb -0.04 -1.85 0.17 0.00 0.02 0.00 0.00 34.50 32.81 2kc1 s PRO 43 CO 0.15 -1.67 1.82 -1.00 -0.33 0.00 0.00 177.00 175.98 2kc1 h PRO 44 N 0.11 1.17 -0.31 5.54 0.13 -1.95 -2.00 132.00 134.68 2kc1 h PRO 44 Ca -0.49 -0.16 0.00 0.00 -0.87 0.00 0.00 66.00 64.48 2kc1 h PRO 44 Cb 1.31 -0.22 0.00 0.00 0.13 0.00 0.00 31.00 32.22 2kc1 h PRO 44 CO 0.51 0.88 0.00 0.09 -0.23 0.00 0.00 178.00 179.26 2kc1 n ASN 45 N -4.36 1.41 -0.02 1.44 4.13 -1.26 -3.12 115.26 113.48 2kc1 n ASN 45 Ca 0.08 -2.03 0.07 0.00 1.68 0.00 0.00 54.58 54.37 2kc1 n ASN 45 Cb 0.12 -0.20 -0.14 0.00 -1.54 0.00 0.00 39.78 38.02 2kc1 n ASN 45 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 2kc1 n ASP 46 N 0.19 0.93 -4.92 6.41 2.03 -0.76 -4.98 116.55 115.45 2kc1 n ASP 46 Ca 0.08 0.00 -0.25 0.00 0.52 0.00 0.00 54.79 55.14 2kc1 n ASP 46 Cb 0.24 1.69 0.00 0.00 -0.72 0.00 0.00 41.12 42.33 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 -3.12 1.67 -0.10 -0.67 0.40 -1.18 -0.86 117.98 114.11 2kc1 s PHE 47 Ca -0.07 -0.80 -0.32 0.00 -0.60 0.00 0.00 56.93 55.14 2kc1 s PHE 47 Cb 0.11 -1.97 0.12 0.00 0.51 0.00 0.00 43.02 41.79 2kc1 s PHE 47 CO 0.73 -0.54 1.41 0.20 0.70 0.00 0.00 175.22 177.72 2kc1 s GLY 48 N -4.32 -0.35 -0.18 4.36 0.00 -0.63 -4.73 107.32 101.47 2kc1 s GLY 48 Ca 0.39 0.53 -0.14 0.00 0.00 0.00 0.00 44.72 45.50 2kc1 s GLY 48 CO 0.24 3.88 0.29 1.08 0.00 0.00 0.00 173.10 178.59 2kc1 s LEU 49 N -3.53 4.20 -0.29 0.66 1.43 -1.26 -2.04 118.68 117.85 2kc1 s LEU 49 Ca 0.25 0.44 -0.01 0.00 -1.03 0.00 0.00 54.13 53.77 2kc1 s LEU 49 Cb 0.04 -2.35 0.05 0.00 0.03 0.00 0.00 46.19 43.96 2kc1 s LEU 49 CO -0.05 0.06 -0.02 0.12 0.23 0.00 0.00 176.35 176.70 2kc1 s PHE 50 N 0.73 3.27 -0.18 0.29 5.36 -0.10 -1.46 117.98 125.89 2kc1 s PHE 50 Ca 0.15 -1.95 -0.29 0.00 -0.96 0.00 0.00 56.93 53.89 2kc1 s PHE 50 Cb -0.13 -2.09 -0.04 0.00 -0.34 0.00 0.00 43.02 40.41 2kc1 s PHE 50 CO 0.04 -0.82 1.84 -1.17 -1.46 0.00 0.00 175.22 173.66 2kc1 s LEU 51 N 1.23 3.87 0.19 6.12 0.20 0.86 0.48 118.68 131.62 2kc1 s LEU 51 Ca -0.06 1.87 -0.25 0.00 0.69 0.00 0.00 54.13 56.39 2kc1 s LEU 51 Cb -0.20 -3.53 -0.08 0.00 -0.43 0.00 0.00 46.19 41.95 2kc1 s LEU 51 CO -0.02 -1.41 0.78 -0.44 -0.29 0.00 0.00 176.35 174.97 2kc1 s SER 52 N 5.36 7.35 0.12 3.68 0.01 -0.37 -2.61 113.70 127.24 2kc1 s SER 52 Ca 0.82 1.64 0.02 0.00 1.31 0.00 0.00 55.95 59.74 2kc1 s SER 52 Cb -0.30 -2.50 -0.01 0.00 0.21 0.00 0.00 66.02 63.42 2kc1 s SER 52 CO 0.33 0.17 0.08 -0.67 0.41 0.00 0.00 173.24 173.56 2kc1 n ASP 53 N 1.40 0.17 0.02 2.44 -0.08 -1.26 -4.71 116.55 114.54 2kc1 n ASP 53 Ca -0.05 -1.75 -0.03 0.00 -1.51 0.00 0.00 54.79 51.45 2kc1 n ASP 53 Cb 0.49 0.50 -0.10 0.00 2.34 0.00 0.00 41.12 44.36 2kc1 n ASP 53 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 2kc1 h ASP 54 N 0.66 0.00 -3.81 1.67 5.19 -1.98 -3.44 116.42 114.71 2kc1 h ASP 54 Ca -0.09 0.00 -0.64 0.00 -0.62 0.00 0.00 57.03 55.68 2kc1 h ASP 54 Cb 0.41 0.00 -0.16 0.00 0.18 0.00 0.00 39.33 39.77 2kc1 h ASP 54 CO 0.14 0.71 -0.38 -0.62 -3.12 0.00 0.00 179.24 175.97 2kc1 s ASP 55 N -5.93 6.13 0.36 6.45 2.15 -1.26 -4.99 116.67 119.59 2kc1 s ASP 55 Ca -0.03 0.11 0.07 0.00 0.43 0.00 0.00 52.55 53.13 2kc1 s ASP 55 Cb 0.08 -2.16 0.77 0.00 -0.30 0.00 0.00 42.92 41.31 2kc1 s ASP 55 CO 0.81 -0.12 1.94 1.55 -0.17 0.00 0.00 175.17 179.18 2kc1 h PRO 56 N 8.28 0.71 -0.01 4.34 0.13 -1.97 -0.18 132.00 143.30 2kc1 h PRO 56 Ca -0.33 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 2kc1 h PRO 56 Cb 1.18 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.15 2kc1 h PRO 56 CO 0.60 0.47 -0.20 0.36 -0.23 0.00 0.00 178.00 178.99 2kc1 n LYS 57 N -4.49 0.72 0.11 0.86 2.85 -1.26 -3.28 118.16 113.67 2kc1 n LYS 57 Ca 0.12 -0.35 0.08 0.00 -1.05 0.00 0.00 58.31 57.10 2kc1 n LYS 57 Cb 0.28 -1.49 0.01 0.00 -0.65 0.00 0.00 35.03 33.17 2kc1 n LYS 57 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 177.40 178.22 2kc1 h LYS 58 N 0.87 0.00 -6.66 -1.58 1.79 -1.43 -3.45 116.57 106.10 2kc1 h LYS 58 Ca 0.00 0.00 -0.53 0.00 -2.18 0.00 0.00 60.65 57.94 2kc1 h LYS 58 Cb 0.45 0.00 0.04 0.00 -1.58 0.00 0.00 32.23 31.13 2kc1 h LYS 58 CO 0.00 0.12 0.69 0.20 -1.08 0.00 0.00 179.45 179.37 2kc1 s GLY 59 N -4.45 2.32 0.07 3.86 0.00 -1.13 -4.90 107.32 103.09 2kc1 s GLY 59 Ca 0.01 1.15 0.08 0.00 0.00 0.00 0.00 44.72 45.96 2kc1 s GLY 59 CO 0.77 2.17 -0.23 -0.26 0.00 0.00 0.00 173.10 175.55 2kc1 s ILE 60 N 0.31 1.86 -0.27 0.90 -4.36 -1.07 -4.89 121.20 113.68 2kc1 s ILE 60 Ca 0.59 -1.39 -0.27 0.00 -0.26 0.00 0.00 60.65 59.32 2kc1 s ILE 60 Cb -0.38 -1.63 0.01 0.00 1.25 0.00 0.00 42.46 41.71 2kc1 s ILE 60 CO 0.37 0.17 0.94 0.26 0.24 0.00 0.00 174.94 176.92 2kc1 s TRP 61 N -0.91 3.27 0.22 1.37 0.52 -1.26 -0.10 118.94 122.04 2kc1 s TRP 61 Ca 0.09 1.19 -0.30 0.00 0.02 0.00 0.00 56.10 57.11 2kc1 s TRP 61 Cb -0.09 -3.29 -0.09 0.00 -1.15 0.00 0.00 33.47 28.85 2kc1 s TRP 61 CO 0.03 -0.53 1.24 -0.51 0.02 0.00 0.00 176.95 177.19 2kc1 s LEU 62 N 3.15 4.45 0.23 2.99 1.02 -0.53 -4.98 118.68 125.00 2kc1 s LEU 62 Ca 0.39 2.35 -0.30 0.00 0.02 0.00 0.00 54.13 56.60 2kc1 s LEU 62 Cb -0.14 -3.62 -0.09 0.00 0.02 0.00 0.00 46.19 42.36 2kc1 s LEU 62 CO 0.10 -0.42 1.20 -1.61 0.02 0.00 0.00 176.35 175.64 2kc1 s GLU 63 N -0.52 4.50 0.39 1.70 2.02 -1.26 -4.69 118.70 120.84 2kc1 s GLU 63 Ca 0.53 1.93 0.06 0.00 0.02 0.00 0.00 54.97 57.50 2kc1 s GLU 63 Cb -0.35 -3.20 0.80 0.00 0.10 0.00 0.00 34.13 31.48 2kc1 s GLU 63 CO 0.40 -0.05 2.04 0.00 0.02 0.00 0.00 175.26 177.66 2kc1 h ALA 64 N 4.71 1.65 -0.09 5.21 0.00 -1.93 -1.70 119.26 127.11 2kc1 h ALA 64 Ca -0.46 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2kc1 h ALA 64 Cb 1.21 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2kc1 h ALA 64 CO 0.72 0.31 0.00 0.41 0.00 0.00 0.00 179.25 180.69 2kc1 n GLY 65 N -1.43 -0.52 3.69 0.00 0.00 -1.26 -3.32 105.19 102.34 2kc1 n GLY 65 Ca 0.04 -0.16 -0.23 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.89 2.44 0.39 1.61 -0.14 -0.64 -4.98 119.74 116.54 2kc1 s LYS 66 Ca 0.17 -1.31 0.04 0.00 -1.36 0.00 0.00 55.97 53.51 2kc1 s LYS 66 Cb 0.09 -2.27 -0.00 0.00 -1.68 0.00 0.00 37.83 33.97 2kc1 s LYS 66 CO 0.13 0.38 0.57 0.00 -0.76 0.00 0.00 175.35 175.67 2kc1 s ALA 67 N -2.23 4.08 0.23 5.17 0.00 -1.26 0.12 121.76 127.88 2kc1 s ALA 67 Ca 0.31 -1.34 -0.02 0.00 0.00 0.00 0.00 51.96 50.91 2kc1 s ALA 67 Cb -0.07 -1.85 0.24 0.00 0.00 0.00 0.00 23.12 21.44 2kc1 s ALA 67 CO 0.21 -0.22 1.63 -0.07 0.00 0.00 0.00 175.76 177.31 2kc1 h LEU 68 N 0.65 0.65 -1.24 0.00 3.38 -0.64 -2.56 115.31 115.56 2kc1 h LEU 68 Ca -0.45 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 57.22 2kc1 h LEU 68 Cb 1.26 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 2kc1 h LEU 68 CO 0.53 0.92 -0.21 -0.78 0.09 0.00 0.00 178.44 178.99 2kc1 h ASP 69 N 0.54 0.00 -0.78 -0.43 3.58 -1.62 -2.35 116.42 115.36 2kc1 h ASP 69 Ca 0.07 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.49 2kc1 h ASP 69 Cb 0.79 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.81 2kc1 h ASP 69 CO 0.06 0.21 0.40 0.22 -2.88 0.00 0.00 179.24 177.25 2kc1 h TYR 70 N 0.00 1.10 -0.00 0.28 3.20 -1.72 -0.97 116.97 118.85 2kc1 h TYR 70 Ca -0.00 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.83 2kc1 h TYR 70 Cb 0.68 -0.35 0.00 0.00 1.54 0.00 0.00 36.73 38.61 2kc1 h TYR 70 CO 0.00 0.79 -0.10 0.66 -1.64 0.00 0.00 178.16 177.87 2kc1 n TYR 71 N -4.40 0.00 -3.44 -3.82 4.02 -1.02 -4.96 117.16 103.54 2kc1 n TYR 71 Ca 0.07 0.00 -0.19 0.00 -0.01 0.00 0.00 57.90 57.77 2kc1 n TYR 71 Cb 0.11 -0.16 0.03 0.00 -0.02 0.00 0.00 39.34 39.31 2kc1 n TYR 71 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 176.86 174.52 2kc1 n MET 72 N -0.88 -1.51 -2.80 -0.72 2.81 -0.37 -4.96 117.12 108.69 2kc1 n MET 72 Ca 0.15 0.85 -0.38 0.00 -1.81 0.00 0.00 57.70 56.52 2kc1 n MET 72 Cb 0.27 -4.68 -0.06 0.00 -0.71 0.00 0.00 33.22 28.04 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 -5.41 4.45 0.37 4.03 1.43 -1.14 -5.04 118.68 117.38 2kc1 s LEU 73 Ca 0.29 1.83 0.08 0.00 -1.03 0.00 0.00 54.13 55.30 2kc1 s LEU 73 Cb -0.08 -3.82 -0.05 0.00 0.03 0.00 0.00 46.19 42.27 2kc1 s LEU 73 CO 0.81 0.03 0.12 -0.13 0.23 0.00 0.00 176.35 177.41 2kc1 s ARG 74 N -1.73 2.22 -0.35 1.70 0.52 -1.26 -4.92 118.95 115.14 2kc1 s ARG 74 Ca 0.46 -1.74 -0.29 0.00 -0.52 0.00 0.00 55.73 53.65 2kc1 s ARG 74 Cb -0.21 -2.02 -0.00 0.00 0.52 0.00 0.00 34.95 33.24 2kc1 s ARG 74 CO 0.26 0.02 1.53 -0.80 0.02 0.00 0.00 175.30 176.33 2kc1 s ASN 75 N -3.84 6.26 0.00 0.23 0.02 -1.25 -2.59 114.94 113.77 2kc1 s ASN 75 Ca 0.38 1.10 0.00 0.00 -1.02 0.00 0.00 52.86 53.32 2kc1 s ASN 75 Cb 0.01 -2.54 0.00 0.00 0.02 0.00 0.00 41.25 38.75 2kc1 s ASN 75 CO 0.22 -1.45 0.00 0.61 0.02 0.00 0.00 177.10 176.50 2kc1 n GLY 76 N 5.04 1.33 3.77 0.66 0.00 0.18 -4.94 105.19 111.22 2kc1 n GLY 76 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.00 4.44 -0.06 1.61 1.01 -1.07 -4.70 116.67 115.90 2kc1 s ASP 77 Ca 0.00 1.74 0.05 0.00 0.71 0.00 0.00 52.55 55.05 2kc1 s ASP 77 Cb 0.00 -2.45 -0.01 0.00 1.01 0.00 0.00 42.92 41.47 2kc1 s ASP 77 CO 0.00 -2.07 -0.24 -0.89 0.21 0.00 0.00 175.17 172.19 2kc1 s THR 78 N -2.93 1.97 -0.02 -1.27 2.01 -1.26 0.58 115.64 114.73 2kc1 s THR 78 Ca 0.61 -1.01 0.02 0.00 0.31 0.00 0.00 61.69 61.62 2kc1 s THR 78 Cb -0.17 -1.67 0.00 0.00 0.01 0.00 0.00 72.50 70.67 2kc1 s THR 78 CO 0.56 0.55 -0.07 -0.04 -0.69 0.00 0.00 174.62 174.93 2kc1 s MET 79 N -0.04 0.66 -0.55 4.92 -1.94 0.57 -1.24 119.30 121.68 2kc1 s MET 79 Ca -0.07 -0.23 -0.21 0.00 -1.71 0.00 0.00 55.69 53.48 2kc1 s MET 79 Cb -0.14 -0.64 0.06 0.00 2.01 0.00 0.00 34.83 36.12 2kc1 s MET 79 CO 0.04 0.10 0.76 -1.21 -0.01 0.00 0.00 175.02 174.70 2kc1 s GLU 80 N 0.09 3.15 -0.62 2.03 2.02 0.18 -0.19 118.70 125.35 2kc1 s GLU 80 Ca -0.01 -0.83 -0.28 0.00 0.02 0.00 0.00 54.97 53.88 2kc1 s GLU 80 Cb -0.06 -4.14 0.03 0.00 0.10 0.00 0.00 34.13 30.07 2kc1 s GLU 80 CO -0.00 -1.42 1.20 -0.47 0.02 0.00 0.00 175.26 174.58 2kc1 s TYR 81 N 3.13 2.53 0.24 1.61 5.04 -1.16 -0.92 117.35 127.83 2kc1 s TYR 81 Ca 0.19 0.26 -0.06 0.00 -2.44 0.00 0.00 57.07 55.01 2kc1 s TYR 81 Cb -0.18 -4.52 -0.02 0.00 0.35 0.00 0.00 41.96 37.59 2kc1 s TYR 81 CO 0.12 -1.70 0.33 -0.98 -1.34 0.00 0.00 175.55 171.98 2kc1 s ARG 82 N 5.09 1.46 0.03 4.97 1.70 -0.86 -4.39 118.95 126.94 2kc1 s ARG 82 Ca 0.40 -1.49 -0.30 0.00 -0.47 0.00 0.00 55.73 53.86 2kc1 s ARG 82 Cb -0.08 0.38 -0.05 0.00 -0.57 0.00 0.00 34.95 34.63 2kc1 s ARG 82 CO 0.22 -0.56 1.25 0.21 -1.08 0.00 0.00 175.30 175.35 2kc1 s LYS 83 N -3.94 4.38 -0.05 3.89 2.36 -1.26 -1.60 119.74 123.51 2kc1 s LYS 83 Ca 0.31 1.81 -0.30 0.00 -2.55 0.00 0.00 55.97 55.24 2kc1 s LYS 83 Cb 0.03 -3.42 -0.04 0.00 -1.05 0.00 0.00 37.83 33.34 2kc1 s LYS 83 CO 0.12 -0.37 1.41 0.15 1.55 0.00 0.00 175.35 178.22 2kc1 s LYS 84 N 1.55 4.25 0.00 4.03 1.02 -0.04 -4.93 119.74 125.62 2kc1 s LYS 84 Ca 0.59 1.93 0.32 0.00 0.02 0.00 0.00 55.97 58.83 2kc1 s LYS 84 Cb -0.29 -3.70 1.86 0.00 -0.52 0.00 0.00 37.83 35.17 2kc1 s LYS 84 CO 0.27 -0.66 2.20 1.04 -0.92 0.00 0.00 175.35 177.29