#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kc4 s ILE 4 N 0.00 2.28 -0.86 -0.18 1.09 -1.26 -4.87 121.20 117.40 3kc4 s ILE 4 Ca 0.00 0.20 -0.25 0.00 -1.10 0.00 0.00 60.65 59.49 3kc4 s ILE 4 Cb 0.00 -3.09 -0.10 0.00 -1.06 0.00 0.00 42.46 38.20 3kc4 s ILE 4 CO 0.00 -0.02 2.20 -0.13 -0.10 0.00 0.00 174.94 176.90 3kc4 s ARG 5 N -3.05 1.98 -0.08 2.79 0.52 -1.26 -4.94 118.95 114.90 3kc4 s ARG 5 Ca 0.74 0.10 0.04 0.00 -0.52 0.00 0.00 55.73 56.09 3kc4 s ARG 5 Cb -0.37 -4.91 0.00 0.00 0.52 0.00 0.00 34.95 30.19 3kc4 s ARG 5 CO 0.42 -4.06 -0.21 0.99 0.02 0.00 0.00 175.30 172.46 3kc4 s THR 6 N 12.95 1.79 -0.13 0.02 2.01 -1.26 -4.10 115.64 126.92 3kc4 s THR 6 Ca 0.83 -0.87 0.01 0.00 0.31 0.00 0.00 61.69 61.97 3kc4 s THR 6 Cb -0.10 -1.55 0.02 0.00 0.01 0.00 0.00 72.50 70.88 3kc4 s THR 6 CO 0.05 0.50 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.58 3kc4 s LEU 7 N 0.36 1.67 -0.72 4.42 1.43 -1.14 -4.92 118.68 119.78 3kc4 s LEU 7 Ca -0.16 -0.45 -0.26 0.00 -1.03 0.00 0.00 54.13 52.23 3kc4 s LEU 7 Cb -0.17 -1.12 0.04 0.00 0.03 0.00 0.00 46.19 44.97 3kc4 s LEU 7 CO 0.07 -0.03 1.22 -1.10 0.23 0.00 0.00 176.35 176.74 3kc4 s GLN 8 N 1.28 3.19 0.49 1.70 -1.52 -1.25 -3.62 119.66 119.93 3kc4 s GLN 8 Ca -0.00 -0.32 0.04 0.00 -1.95 0.00 0.00 55.36 53.12 3kc4 s GLN 8 Cb -0.14 -4.18 -0.01 0.00 -0.22 0.00 0.00 33.01 28.46 3kc4 s GLN 8 CO -0.06 -2.07 0.13 0.20 -0.25 0.00 0.00 175.29 173.23 3kc4 s GLY 9 N 3.69 2.72 -0.09 3.09 0.00 -1.25 -4.70 107.32 110.78 3kc4 s GLY 9 Ca 0.33 -1.04 -0.01 0.00 0.00 0.00 0.00 44.72 44.00 3kc4 s GLY 9 CO 0.15 -2.09 -0.02 0.50 0.00 0.00 0.00 173.10 171.64 3kc4 s ARG 10 N -3.96 0.92 0.72 2.90 3.00 0.22 -3.09 118.95 119.67 3kc4 s ARG 10 Ca 0.21 -0.03 -0.17 0.00 0.00 0.00 0.00 55.73 55.73 3kc4 s ARG 10 Cb 0.02 -1.22 -0.13 0.00 0.00 0.00 0.00 34.95 33.62 3kc4 s ARG 10 CO 0.12 -0.30 -0.28 0.28 0.00 0.00 0.00 175.30 175.11 3kc4 n VAL 11 N 5.07 0.24 -1.92 3.52 0.31 -0.99 -2.57 118.33 121.99 3kc4 n VAL 11 Ca -0.09 -0.48 0.00 0.00 -0.01 0.00 0.00 64.34 63.76 3kc4 n VAL 11 Cb 0.50 -0.11 0.00 0.00 -0.91 0.00 0.00 33.84 33.32 3kc4 n VAL 11 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 3kc4 n VAL 12 N -2.02 0.00 -2.97 2.52 3.14 -1.07 -1.00 118.33 116.93 3kc4 n VAL 12 Ca 0.05 0.00 0.02 0.00 -2.96 0.00 0.00 64.34 61.44 3kc4 n VAL 12 Cb 0.51 0.00 -0.00 0.00 -1.06 0.00 0.00 33.84 33.29 3kc4 n VAL 12 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 3kc4 s SER 13 N 0.00 -0.86 -0.17 6.55 0.15 -0.31 -4.90 113.70 114.16 3kc4 s SER 13 Ca 0.00 -0.40 -0.04 0.00 0.70 0.00 0.00 55.95 56.20 3kc4 s SER 13 Cb 0.00 1.13 -0.03 0.00 -1.71 0.00 0.00 66.02 65.41 3kc4 s SER 13 CO 0.00 -0.10 -0.02 -1.81 1.20 0.00 0.00 173.24 172.52 3kc4 s ASP 14 N 1.98 4.87 0.02 5.45 1.01 -1.26 -2.37 116.67 126.37 3kc4 s ASP 14 Ca 0.15 -0.14 0.00 0.00 0.71 0.00 0.00 52.55 53.27 3kc4 s ASP 14 Cb -0.00 -1.81 0.00 0.00 1.01 0.00 0.00 42.92 42.11 3kc4 s ASP 14 CO -0.12 0.13 0.00 1.17 0.21 0.00 0.00 175.17 176.56 3kc4 n LYS 15 N 3.80 0.00 -3.40 8.23 3.00 -1.26 -5.06 118.16 123.47 3kc4 n LYS 15 Ca -0.17 0.00 -0.45 0.00 -0.00 0.00 0.00 58.31 57.69 3kc4 n LYS 15 Cb 0.52 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 35.50 3kc4 n LYS 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3kc4 s MET 16 N -2.00 3.12 0.34 1.64 0.23 -1.26 -4.95 119.30 116.42 3kc4 s MET 16 Ca 0.00 -2.11 -0.29 0.00 -1.03 0.00 0.00 55.69 52.26 3kc4 s MET 16 Cb 0.00 -4.24 -0.11 0.00 -1.53 0.00 0.00 34.83 28.95 3kc4 s MET 16 CO 0.00 -1.28 1.48 -1.21 -2.03 0.00 0.00 175.02 171.99 3kc4 s GLU 17 N 0.81 4.16 0.00 3.16 0.41 -1.26 -1.66 118.70 124.32 3kc4 s GLU 17 Ca 0.11 2.50 0.00 0.00 -0.41 0.00 0.00 54.97 57.17 3kc4 s GLU 17 Cb -0.20 -3.01 0.00 0.00 -1.78 0.00 0.00 34.13 29.14 3kc4 s GLU 17 CO -0.03 -0.50 0.00 1.63 -0.49 0.00 0.00 175.26 175.87 3kc4 n LYS 18 N 1.07 0.00 -3.77 1.61 5.02 -0.71 -4.89 118.16 116.49 3kc4 n LYS 18 Ca 0.03 0.13 -0.14 0.00 -2.02 0.00 0.00 58.31 56.31 3kc4 n LYS 18 Cb 0.39 -3.09 -0.15 0.00 -0.02 0.00 0.00 35.03 32.17 3kc4 n LYS 18 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3kc4 s SER 19 N -2.25 -0.03 -0.05 4.39 0.15 -0.66 -0.63 113.70 114.61 3kc4 s SER 19 Ca 0.00 0.17 0.02 0.00 0.70 0.00 0.00 55.95 56.84 3kc4 s SER 19 Cb 0.00 0.07 0.01 0.00 -1.71 0.00 0.00 66.02 64.39 3kc4 s SER 19 CO 0.00 -0.12 -0.10 -0.63 1.20 0.00 0.00 173.24 173.59 3kc4 s ILE 20 N 0.97 0.95 -0.09 6.45 1.01 -1.03 -4.25 121.20 125.21 3kc4 s ILE 20 Ca -0.08 -0.39 -0.22 0.00 0.00 0.00 0.00 60.65 59.97 3kc4 s ILE 20 Cb -0.11 -0.88 -0.04 0.00 0.01 0.00 0.00 42.46 41.44 3kc4 s ILE 20 CO -0.04 0.31 0.64 -0.69 0.00 0.00 0.00 174.94 175.16 3kc4 s VAL 21 N 0.63 5.08 0.15 2.92 1.01 -1.00 -2.29 120.40 126.91 3kc4 s VAL 21 Ca -0.12 1.30 0.09 0.00 0.00 0.00 0.00 61.98 63.25 3kc4 s VAL 21 Cb -0.14 -3.98 -0.04 0.00 0.00 0.00 0.00 36.38 32.22 3kc4 s VAL 21 CO 0.02 0.27 -0.16 -0.69 0.00 0.00 0.00 175.10 174.54 3kc4 s VAL 22 N 0.80 2.88 -0.12 2.92 1.01 -1.25 -1.16 120.40 125.48 3kc4 s VAL 22 Ca 0.34 -1.64 0.03 0.00 0.00 0.00 0.00 61.98 60.71 3kc4 s VAL 22 Cb -0.17 -2.37 0.00 0.00 0.00 0.00 0.00 36.38 33.85 3kc4 s VAL 22 CO 0.16 -0.01 -0.21 0.00 0.00 0.00 0.00 175.10 175.04 3kc4 s ALA 23 N -1.42 2.27 -0.14 5.51 0.00 -1.06 -3.91 121.76 123.02 3kc4 s ALA 23 Ca 0.21 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 51.15 3kc4 s ALA 23 Cb -0.10 -0.96 0.02 0.00 0.00 0.00 0.00 23.12 22.09 3kc4 s ALA 23 CO 0.12 0.13 -0.11 0.42 0.00 0.00 0.00 175.76 176.31 3kc4 s ILE 24 N 0.57 1.36 -0.04 0.00 1.09 -1.03 -0.61 121.20 122.55 3kc4 s ILE 24 Ca -0.12 -0.51 0.06 0.00 -1.10 0.00 0.00 60.65 58.97 3kc4 s ILE 24 Cb -0.17 -1.32 -0.02 0.00 -1.06 0.00 0.00 42.46 39.90 3kc4 s ILE 24 CO 0.04 0.41 -0.20 -1.83 -0.10 0.00 0.00 174.94 173.26 3kc4 s GLU 25 N 1.57 2.36 0.18 2.79 -1.05 -1.26 -1.10 118.70 122.20 3kc4 s GLU 25 Ca 0.05 -0.81 0.10 0.00 -0.15 0.00 0.00 54.97 54.16 3kc4 s GLU 25 Cb -0.13 -2.23 -0.04 0.00 -0.44 0.00 0.00 34.13 31.29 3kc4 s GLU 25 CO -0.10 0.57 -0.21 -0.98 0.95 0.00 0.00 175.26 175.50 3kc4 s ARG 26 N -0.62 1.40 -0.64 -4.83 3.03 0.33 -4.85 118.95 112.76 3kc4 s ARG 26 Ca 0.09 -1.48 -0.27 0.00 2.03 0.00 0.00 55.73 56.10 3kc4 s ARG 26 Cb -0.11 -1.57 0.02 0.00 -1.03 0.00 0.00 34.95 32.26 3kc4 s ARG 26 CO 0.00 0.33 1.39 -0.06 -1.13 0.00 0.00 175.30 175.83 3kc4 s PHE 27 N -1.92 2.25 -0.13 5.89 0.08 -1.25 -0.07 117.98 122.82 3kc4 s PHE 27 Ca 0.19 0.29 -0.15 0.00 0.12 0.00 0.00 56.93 57.38 3kc4 s PHE 27 Cb -0.07 -4.47 -0.05 0.00 -0.57 0.00 0.00 43.02 37.87 3kc4 s PHE 27 CO 0.08 -2.01 0.35 0.08 -0.10 0.00 0.00 175.22 173.63 3kc4 s VAL 28 N 6.16 5.25 0.09 -0.44 1.01 -0.04 -4.78 120.40 127.65 3kc4 s VAL 28 Ca 0.46 0.69 0.01 0.00 0.00 0.00 0.00 61.98 63.14 3kc4 s VAL 28 Cb -0.09 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 3kc4 s VAL 28 CO 0.20 0.40 0.20 -0.75 0.00 0.00 0.00 175.10 175.15 3kc4 s LYS 29 N 0.32 3.31 0.59 2.72 2.20 -1.26 -0.38 119.74 127.24 3kc4 s LYS 29 Ca 0.20 -0.54 -0.07 0.00 -0.36 0.00 0.00 55.97 55.20 3kc4 s LYS 29 Cb -0.14 -2.95 0.00 0.00 -1.51 0.00 0.00 37.83 33.23 3kc4 s LYS 29 CO 0.07 0.58 0.91 -1.01 -0.36 0.00 0.00 175.35 175.53 3kc4 s HIS 30 N -1.55 3.32 -0.06 4.03 3.76 0.24 -4.79 115.29 120.24 3kc4 s HIS 30 Ca 0.34 0.74 0.04 0.00 -0.15 0.00 0.00 55.06 56.02 3kc4 s HIS 30 Cb -0.12 -2.71 -0.06 0.00 1.11 0.00 0.00 32.58 30.80 3kc4 s HIS 30 CO 0.27 -0.78 -0.01 -0.35 -0.85 0.00 0.00 174.74 173.03 3kc4 n PRO 31 N -2.59 2.18 -0.06 8.40 -0.04 -1.26 -2.58 135.00 139.05 3kc4 n PRO 31 Ca 0.04 0.01 -0.12 0.00 -0.04 0.00 0.00 63.50 63.40 3kc4 n PRO 31 Cb 0.57 -1.15 -0.06 0.00 -0.04 0.00 0.00 33.50 32.83 3kc4 n PRO 31 CO 0.00 0.00 0.00 0.97 -0.04 0.00 0.00 175.50 176.43 3kc4 h ILE 32 N 0.00 1.27 -0.24 0.52 6.09 -1.99 -3.02 117.51 120.15 3kc4 h ILE 32 Ca -0.16 -0.96 0.00 0.00 -1.37 0.00 0.00 64.86 62.37 3kc4 h ILE 32 Cb 1.32 1.53 0.00 0.00 0.47 0.00 0.00 36.82 40.14 3kc4 h ILE 32 CO -0.00 0.29 0.00 -1.22 -3.07 0.00 0.00 178.15 174.15 3kc4 n TYR 33 N -4.67 0.32 -3.90 2.19 0.53 -1.26 -5.00 117.16 105.36 3kc4 n TYR 33 Ca -0.05 -0.49 -0.28 0.00 -1.02 0.00 0.00 57.90 56.06 3kc4 n TYR 33 Cb 0.25 -0.03 -0.01 0.00 -1.03 0.00 0.00 39.34 38.53 3kc4 n TYR 33 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3kc4 n GLY 34 N 0.21 -0.42 2.87 2.72 0.00 -1.14 -4.90 105.19 104.54 3kc4 n GLY 34 Ca 0.08 0.22 -0.16 0.00 0.00 0.00 0.00 46.02 46.17 3kc4 n GLY 34 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3kc4 s LYS 35 N -6.48 0.06 0.61 1.61 2.47 -1.06 -4.75 119.74 112.19 3kc4 s LYS 35 Ca 0.13 0.52 -0.19 0.00 -1.56 0.00 0.00 55.97 54.86 3kc4 s LYS 35 Cb -0.05 -0.23 -0.02 0.00 -1.46 0.00 0.00 37.83 36.06 3kc4 s LYS 35 CO 0.89 -0.26 1.31 -0.06 0.16 0.00 0.00 175.35 177.38 3kc4 s PHE 36 N 1.95 2.17 0.25 4.03 0.08 -1.26 -0.59 117.98 124.60 3kc4 s PHE 36 Ca -0.01 1.45 -0.14 0.00 0.12 0.00 0.00 56.93 58.35 3kc4 s PHE 36 Cb -0.12 -3.71 0.00 0.00 -0.57 0.00 0.00 43.02 38.63 3kc4 s PHE 36 CO -0.06 -2.85 0.51 0.96 -0.10 0.00 0.00 175.22 173.68 3kc4 s ILE 37 N -1.38 0.00 -0.23 0.64 -4.36 0.49 -4.92 121.20 111.45 3kc4 s ILE 37 Ca 0.79 -1.30 -0.19 0.00 -0.26 0.00 0.00 60.65 59.70 3kc4 s ILE 37 Cb -0.38 -2.11 -0.03 0.00 1.25 0.00 0.00 42.46 41.19 3kc4 s ILE 37 CO 0.41 -0.02 0.54 -0.54 0.24 0.00 0.00 174.94 175.57 3kc4 s LYS 38 N -3.99 4.14 -0.34 0.37 1.02 -1.26 -0.86 119.74 118.81 3kc4 s LYS 38 Ca 0.19 0.41 0.03 0.00 0.02 0.00 0.00 55.97 56.62 3kc4 s LYS 38 Cb -0.01 -3.60 0.10 0.00 -0.52 0.00 0.00 37.83 33.79 3kc4 s LYS 38 CO 0.07 -0.26 0.06 0.50 -0.92 0.00 0.00 175.35 174.81 3kc4 s ARG 39 N 1.99 1.64 -0.01 1.68 6.06 0.90 -4.90 118.95 126.31 3kc4 s ARG 39 Ca 0.23 -1.82 -0.07 0.00 -2.50 0.00 0.00 55.73 51.58 3kc4 s ARG 39 Cb -0.15 -3.25 -0.05 0.00 0.06 0.00 0.00 34.95 31.56 3kc4 s ARG 39 CO 0.09 -0.93 0.26 0.99 -2.50 0.00 0.00 175.30 173.21 3kc4 s THR 40 N 0.96 5.32 -0.02 4.11 2.01 -1.26 -0.52 115.64 126.25 3kc4 s THR 40 Ca 0.09 0.20 0.03 0.00 0.31 0.00 0.00 61.69 62.32 3kc4 s THR 40 Cb -0.20 -3.55 -0.00 0.00 0.01 0.00 0.00 72.50 68.76 3kc4 s THR 40 CO -0.07 0.41 -0.11 0.28 -0.69 0.00 0.00 174.62 174.44 3kc4 s THR 41 N -1.25 0.90 0.29 -0.82 -1.32 -0.25 -4.95 115.64 108.23 3kc4 s THR 41 Ca 0.26 -0.46 -0.20 0.00 -1.21 0.00 0.00 61.69 60.07 3kc4 s THR 41 Cb -0.13 -0.77 -0.09 0.00 -1.51 0.00 0.00 72.50 70.00 3kc4 s THR 41 CO 0.14 0.26 0.80 -0.54 -2.21 0.00 0.00 174.62 173.08 3kc4 s LYS 42 N -0.11 4.28 0.12 7.08 -0.14 -1.26 -2.47 119.74 127.24 3kc4 s LYS 42 Ca 0.02 0.96 0.01 0.00 -1.36 0.00 0.00 55.97 55.60 3kc4 s LYS 42 Cb -0.06 -2.69 -0.04 0.00 -1.68 0.00 0.00 37.83 33.35 3kc4 s LYS 42 CO -0.00 0.27 -0.03 -0.51 -0.76 0.00 0.00 175.35 174.32 3kc4 s LEU 43 N -2.33 2.32 -0.27 3.17 1.43 -1.25 -5.03 118.68 116.72 3kc4 s LEU 43 Ca 0.49 -1.08 -0.03 0.00 -1.03 0.00 0.00 54.13 52.49 3kc4 s LEU 43 Cb -0.15 -0.02 0.03 0.00 0.03 0.00 0.00 46.19 46.08 3kc4 s LEU 43 CO 0.20 -0.53 -0.02 -2.28 0.23 0.00 0.00 176.35 173.95 3kc4 s HIS 44 N -3.69 3.12 0.10 0.29 2.46 -1.26 -3.82 115.29 112.49 3kc4 s HIS 44 Ca 0.16 -1.50 -0.06 0.00 0.47 0.00 0.00 55.06 54.14 3kc4 s HIS 44 Cb 0.06 -2.11 -0.05 0.00 -0.13 0.00 0.00 32.58 30.35 3kc4 s HIS 44 CO -0.02 -0.71 0.35 0.08 -2.47 0.00 0.00 174.74 171.97 3kc4 s VAL 45 N 1.35 5.19 -0.22 0.89 1.01 -0.97 -2.20 120.40 125.45 3kc4 s VAL 45 Ca -0.00 0.10 -0.08 0.00 0.00 0.00 0.00 61.98 61.99 3kc4 s VAL 45 Cb -0.17 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 3kc4 s VAL 45 CO -0.02 0.15 0.09 -2.28 0.00 0.00 0.00 175.10 173.04 3kc4 s HIS 46 N -1.54 3.22 0.33 5.22 2.46 -0.19 -2.46 115.29 122.33 3kc4 s HIS 46 Ca 0.37 -0.02 0.06 0.00 0.47 0.00 0.00 55.06 55.94 3kc4 s HIS 46 Cb -0.13 -2.18 -0.07 0.00 -0.13 0.00 0.00 32.58 30.07 3kc4 s HIS 46 CO 0.22 -0.02 0.01 -0.51 -2.47 0.00 0.00 174.74 171.97 3kc4 s ASP 47 N 0.95 2.86 0.13 9.88 1.11 0.19 -1.52 116.67 130.27 3kc4 s ASP 47 Ca 0.05 -1.31 -0.17 0.00 0.18 0.00 0.00 52.55 51.30 3kc4 s ASP 47 Cb -0.14 -0.19 -0.02 0.00 1.07 0.00 0.00 42.92 43.65 3kc4 s ASP 47 CO 0.03 -0.48 1.70 -0.08 1.18 0.00 0.00 175.17 177.52 3kc4 h GLU 48 N 2.09 0.53 0.00 8.23 4.57 -1.97 -3.39 114.58 124.63 3kc4 h GLU 48 Ca -0.41 -0.08 0.00 0.00 -1.18 0.00 0.00 59.36 57.69 3kc4 h GLU 48 Cb 1.24 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.74 3kc4 h GLU 48 CO 0.71 0.48 0.00 0.27 -1.18 0.00 0.00 179.01 179.30 3kc4 n ASN 49 N -4.71 0.00 -0.41 1.04 0.23 -1.26 -4.61 115.26 105.54 3kc4 n ASN 49 Ca -0.01 -0.66 0.00 0.00 -0.53 0.00 0.00 54.58 53.38 3kc4 n ASN 49 Cb 0.12 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.82 3kc4 n ASN 49 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 3kc4 n ASN 50 N 0.00 -1.84 0.00 0.53 3.02 -1.26 -1.73 115.26 113.98 3kc4 n ASN 50 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 3kc4 n ASN 50 Cb 0.24 -0.72 0.00 0.00 -0.61 0.00 0.00 39.78 38.69 3kc4 n ASN 50 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 3kc4 n GLU 51 N 0.19 0.00 -1.63 3.52 0.00 -1.26 -4.87 120.64 116.59 3kc4 n GLU 51 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 57.16 56.87 3kc4 n GLU 51 Cb 0.00 0.00 0.11 0.00 0.00 0.00 0.00 31.44 31.55 3kc4 n GLU 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3kc4 n GLY 53 N -2.42 0.79 3.19 0.00 0.00 -1.26 -4.53 105.19 100.96 3kc4 n GLY 53 Ca 0.07 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.96 3kc4 n GLY 53 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3kc4 s ILE 54 N 0.72 0.01 0.00 -0.61 -4.36 -1.25 -4.66 121.20 111.05 3kc4 s ILE 54 Ca 0.00 -0.08 0.00 0.00 -0.26 0.00 0.00 60.65 60.31 3kc4 s ILE 54 Cb 0.00 -0.44 0.00 0.00 1.25 0.00 0.00 42.46 43.27 3kc4 s ILE 54 CO 0.00 -0.05 0.00 0.61 0.24 0.00 0.00 174.94 175.74 3kc4 n GLY 55 N 2.67 0.70 3.56 6.27 0.00 -0.17 -4.69 105.19 113.52 3kc4 n GLY 55 Ca -0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 3kc4 n GLY 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kc4 s ASP 56 N -2.54 6.20 0.12 1.61 1.01 -0.94 -4.44 116.67 117.69 3kc4 s ASP 56 Ca 0.00 -0.30 -0.34 0.00 0.71 0.00 0.00 52.55 52.62 3kc4 s ASP 56 Cb 0.00 -2.56 -0.14 0.00 1.01 0.00 0.00 42.92 41.24 3kc4 s ASP 56 CO 0.00 -1.77 1.63 0.55 0.21 0.00 0.00 175.17 175.78 3kc4 n VAL 57 N 6.47 0.10 -4.04 -1.27 3.14 -1.18 -2.34 118.33 119.21 3kc4 n VAL 57 Ca 0.05 -0.02 -0.13 0.00 -2.96 0.00 0.00 64.34 61.28 3kc4 n VAL 57 Cb 0.49 -1.58 -0.04 0.00 -1.06 0.00 0.00 33.84 31.65 3kc4 n VAL 57 CO 0.00 0.00 0.00 0.68 -6.46 0.00 0.00 176.83 171.05 3kc4 s VAL 58 N 1.46 0.00 -0.06 1.55 -7.23 -1.26 -2.71 120.40 112.15 3kc4 s VAL 58 Ca 0.81 -1.50 0.04 0.00 -1.81 0.00 0.00 61.98 59.53 3kc4 s VAL 58 Cb -0.69 -2.59 -0.02 0.00 0.56 0.00 0.00 36.38 33.64 3kc4 s VAL 58 CO 0.40 0.00 -0.19 -1.61 -0.31 0.00 0.00 175.10 173.39 3kc4 s GLU 59 N -3.15 2.64 0.28 4.82 2.02 0.64 -3.85 118.70 122.10 3kc4 s GLU 59 Ca 0.27 -0.80 0.04 0.00 0.02 0.00 0.00 54.97 54.50 3kc4 s GLU 59 Cb -0.01 -2.31 -0.06 0.00 0.10 0.00 0.00 34.13 31.86 3kc4 s GLU 59 CO 0.17 0.45 0.03 0.96 0.02 0.00 0.00 175.26 176.89 3kc4 s ILE 60 N -0.31 1.13 0.15 -1.63 -4.36 -1.24 -1.42 121.20 113.52 3kc4 s ILE 60 Ca 0.02 -2.03 -0.10 0.00 -0.26 0.00 0.00 60.65 58.28 3kc4 s ILE 60 Cb -0.13 -2.59 -0.00 0.00 1.25 0.00 0.00 42.46 40.99 3kc4 s ILE 60 CO 0.02 -0.14 0.28 -0.13 0.24 0.00 0.00 174.94 175.21 3kc4 s ARG 61 N -3.88 1.09 -0.14 0.37 0.52 0.15 -2.88 118.95 114.19 3kc4 s ARG 61 Ca 0.33 -1.09 -0.11 0.00 -0.52 0.00 0.00 55.73 54.34 3kc4 s ARG 61 Cb 0.07 0.38 -0.05 0.00 0.52 0.00 0.00 34.95 35.87 3kc4 s ARG 61 CO 0.13 -0.39 0.23 -2.00 0.02 0.00 0.00 175.30 173.28 3kc4 s GLU 62 N -3.93 3.99 0.00 3.54 2.12 -1.26 -1.14 118.70 122.02 3kc4 s GLU 62 Ca 0.13 0.00 0.00 0.00 0.36 0.00 0.00 54.97 55.46 3kc4 s GLU 62 Cb 0.03 -3.34 0.00 0.00 0.26 0.00 0.00 34.13 31.09 3kc4 s GLU 62 CO -0.03 0.45 0.00 0.00 -0.54 0.00 0.00 175.26 175.14 3kc4 n ARG 64 N 0.00 0.81 -1.39 0.00 1.74 -1.26 -4.64 116.66 111.92 3kc4 n ARG 64 Ca 0.00 0.34 -0.43 0.00 -0.77 0.00 0.00 57.85 56.99 3kc4 n ARG 64 Cb 0.00 -2.43 -0.00 0.00 -1.02 0.00 0.00 32.46 29.01 3kc4 n ARG 64 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 3kc4 n PRO 65 N -2.10 0.31 0.00 5.56 -0.02 -1.25 -4.13 135.00 133.36 3kc4 n PRO 65 Ca 0.15 0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 3kc4 n PRO 65 Cb 0.49 -1.27 0.00 0.00 -0.02 0.00 0.00 33.50 32.70 3kc4 n PRO 65 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3kc4 n LEU 66 N 1.76 0.00 -4.04 2.45 4.32 -1.26 -4.89 117.00 115.34 3kc4 n LEU 66 Ca 0.12 0.00 -0.13 0.00 -0.02 0.00 0.00 56.01 55.98 3kc4 n LEU 66 Cb 0.38 0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 42.14 3kc4 n LEU 66 CO 0.55 0.00 0.19 -0.55 -1.22 0.00 0.00 177.39 176.36 3kc4 s SER 67 N -0.84 0.60 -0.36 -1.43 0.15 -1.26 -5.03 113.70 105.53 3kc4 s SER 67 Ca 0.00 -1.34 -0.30 0.00 0.70 0.00 0.00 55.95 55.01 3kc4 s SER 67 Cb 0.00 0.67 -0.08 0.00 -1.71 0.00 0.00 66.02 64.89 3kc4 s SER 67 CO 0.00 -1.31 2.28 1.17 1.20 0.00 0.00 173.24 176.58 3kc4 n LYS 68 N -0.52 1.37 -2.04 5.44 3.00 -1.26 -2.91 118.16 121.24 3kc4 n LYS 68 Ca -0.01 0.31 -0.01 0.00 -0.00 0.00 0.00 58.31 58.60 3kc4 n LYS 68 Cb 0.61 -2.95 0.00 0.00 0.00 0.00 0.00 35.03 32.70 3kc4 n LYS 68 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 3kc4 n THR 69 N 7.63 -4.69 -3.97 3.15 -1.04 -1.26 -5.11 114.28 109.00 3kc4 n THR 69 Ca 0.37 0.06 -0.09 0.00 -2.04 0.00 0.00 64.05 62.35 3kc4 n THR 69 Cb 0.38 -4.91 -0.05 0.00 -1.82 0.00 0.00 70.33 63.93 3kc4 n THR 69 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 3kc4 s LYS 70 N -2.51 1.52 0.00 -2.82 1.02 -1.14 -4.81 119.74 110.99 3kc4 s LYS 70 Ca 0.03 -1.20 0.00 0.00 0.02 0.00 0.00 55.97 54.82 3kc4 s LYS 70 Cb -0.01 0.48 0.00 0.00 -0.52 0.00 0.00 37.83 37.78 3kc4 s LYS 70 CO 0.28 -0.63 0.00 0.45 -0.92 0.00 0.00 175.35 174.52 3kc4 n SER 71 N -0.37 0.00 -4.29 2.83 2.88 -1.24 -3.96 113.62 109.47 3kc4 n SER 71 Ca -0.03 -0.61 -0.18 0.00 -1.33 0.00 0.00 58.87 56.72 3kc4 n SER 71 Cb 0.62 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.97 3kc4 n SER 71 CO 0.00 0.00 0.00 0.26 -1.23 0.00 0.00 175.04 174.07 3kc4 s TRP 72 N 0.00 1.53 0.11 0.66 0.52 -0.93 -0.88 118.94 119.95 3kc4 s TRP 72 Ca 0.00 -0.58 -0.17 0.00 0.02 0.00 0.00 56.10 55.36 3kc4 s TRP 72 Cb 0.00 -0.76 0.04 0.00 -1.15 0.00 0.00 33.47 31.60 3kc4 s TRP 72 CO 0.00 0.23 0.42 -0.08 0.02 0.00 0.00 176.95 177.54 3kc4 s THR 73 N -2.59 0.06 -0.03 2.01 -1.32 -0.29 -1.02 115.64 112.46 3kc4 s THR 73 Ca 0.15 -0.50 -0.26 0.00 -1.21 0.00 0.00 61.69 59.87 3kc4 s THR 73 Cb -0.02 -1.11 -0.04 0.00 -1.51 0.00 0.00 72.50 69.82 3kc4 s THR 73 CO 0.04 -0.28 0.80 -0.22 -2.21 0.00 0.00 174.62 172.76 3kc4 s LEU 74 N -2.62 4.35 -0.10 9.08 2.96 -0.58 -0.67 118.68 131.10 3kc4 s LEU 74 Ca 0.01 1.38 0.14 0.00 -0.22 0.00 0.00 54.13 55.44 3kc4 s LEU 74 Cb 0.01 -3.26 -0.21 0.00 0.50 0.00 0.00 46.19 43.23 3kc4 s LEU 74 CO -0.10 -0.15 0.17 1.33 -1.32 0.00 0.00 176.35 176.29 3kc4 n VAL 75 N 3.69 0.61 -3.62 1.68 0.24 -0.71 -4.81 118.33 115.42 3kc4 n VAL 75 Ca 0.01 -0.53 -0.04 0.00 -2.04 0.00 0.00 64.34 61.74 3kc4 n VAL 75 Cb 0.51 -0.31 -0.04 0.00 -1.47 0.00 0.00 33.84 32.53 3kc4 n VAL 75 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3kc4 s ARG 76 N -2.66 0.19 -0.28 7.34 1.70 -0.51 -4.99 118.95 119.74 3kc4 s ARG 76 Ca -0.07 0.02 -0.10 0.00 -0.47 0.00 0.00 55.73 55.11 3kc4 s ARG 76 Cb 0.07 0.09 -0.03 0.00 -0.57 0.00 0.00 34.95 34.50 3kc4 s ARG 76 CO 0.64 -0.07 0.16 0.14 -1.08 0.00 0.00 175.30 175.09 3kc4 s VAL 77 N -1.33 4.93 0.21 4.99 -7.23 -1.26 -0.26 120.40 120.45 3kc4 s VAL 77 Ca 0.07 -0.05 -0.08 0.00 -1.81 0.00 0.00 61.98 60.11 3kc4 s VAL 77 Cb -0.01 -3.39 0.16 0.00 0.56 0.00 0.00 36.38 33.70 3kc4 s VAL 77 CO -0.05 0.22 1.78 0.58 -0.31 0.00 0.00 175.10 177.31 3kc4 h VAL 78 N 5.47 1.26 -3.32 1.32 2.07 -1.86 -3.45 116.25 117.75 3kc4 h VAL 78 Ca -0.35 -0.84 -0.01 0.00 0.82 0.00 0.00 66.70 66.31 3kc4 h VAL 78 Cb 1.18 0.32 -0.09 0.00 -1.52 0.00 0.00 31.29 31.17 3kc4 h VAL 78 CO 0.58 0.34 0.03 -1.83 0.02 0.00 0.00 177.57 176.71 3kc4 s GLU 79 N -5.53 1.47 0.23 1.57 1.03 -1.10 -5.02 118.70 111.34 3kc4 s GLU 79 Ca -0.12 -0.95 0.01 0.00 0.03 0.00 0.00 54.97 53.93 3kc4 s GLU 79 Cb 0.16 0.52 -0.05 0.00 -0.80 0.00 0.00 34.13 33.96 3kc4 s GLU 79 CO 0.84 -0.63 0.09 -1.59 -1.33 0.00 0.00 175.26 172.64 3kc4 s LYS 80 N -3.91 1.29 -0.98 -4.83 -2.85 -1.26 -4.66 119.74 102.55 3kc4 s LYS 80 Ca 0.12 -1.68 -0.05 0.00 -1.00 0.00 0.00 55.97 53.35 3kc4 s LYS 80 Cb -0.02 -0.13 0.01 0.00 -2.06 0.00 0.00 37.83 35.63 3kc4 s LYS 80 CO 0.01 -0.29 0.69 0.00 0.10 0.00 0.00 175.35 175.87 3kc4 n ALA 81 N -0.37 -0.83 -1.10 0.59 0.00 -1.25 -4.77 120.51 112.78 3kc4 n ALA 81 Ca -0.01 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.69 3kc4 n ALA 81 Cb 0.66 -3.63 0.00 0.00 0.00 0.00 0.00 19.45 16.48 3kc4 n ALA 81 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78