#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 5.23 0.48 -0.61 1.01 -1.26 -5.07 121.20 120.98 2kc1 s ILE -4 Ca 0.00 -0.32 -0.19 0.00 0.00 0.00 0.00 60.65 60.14 2kc1 s ILE -4 Cb 0.00 -3.85 -0.09 0.00 0.01 0.00 0.00 42.46 38.53 2kc1 s ILE -4 CO 0.00 -0.18 0.99 -1.81 0.00 0.00 0.00 174.94 173.94 2kc1 s ASP -3 N 1.72 6.59 0.37 3.58 1.01 -1.26 -4.96 116.67 123.73 2kc1 s ASP -3 Ca 0.08 1.73 0.08 0.00 0.71 0.00 0.00 52.55 55.15 2kc1 s ASP -3 Cb -0.18 -2.54 0.73 0.00 1.01 0.00 0.00 42.92 41.95 2kc1 s ASP -3 CO 0.11 -0.61 1.90 -0.65 0.21 0.00 0.00 175.17 176.13 2kc1 h PRO -2 N 1.42 0.30 -6.59 8.23 0.11 -1.97 -3.43 132.00 130.06 2kc1 h PRO -2 Ca -0.48 -0.07 -0.49 0.00 0.11 0.00 0.00 66.00 65.07 2kc1 h PRO -2 Cb 1.20 -0.04 0.01 0.00 0.11 0.00 0.00 31.00 32.28 2kc1 h PRO -2 CO 0.60 0.43 -0.13 -0.59 -0.21 0.00 0.00 178.00 178.10 2kc1 s PHE -1 N -4.75 3.51 -0.42 0.65 -0.71 -1.26 -4.75 117.98 110.25 2kc1 s PHE -1 Ca -0.06 0.49 0.07 0.00 -1.04 0.00 0.00 56.93 56.39 2kc1 s PHE -1 Cb 0.15 -2.01 0.18 0.00 -1.21 0.00 0.00 43.02 40.13 2kc1 s PHE -1 CO 0.74 0.06 0.59 -0.08 -1.34 0.00 0.00 175.22 175.19 2kc1 s THR 0 N -2.36 -0.83 0.00 -4.49 -1.32 -1.26 -5.00 115.64 100.38 2kc1 s THR 0 Ca 0.42 -0.46 0.00 0.00 -1.21 0.00 0.00 61.69 60.44 2kc1 s THR 0 Cb -0.10 -0.17 0.00 0.00 -1.51 0.00 0.00 72.50 70.72 2kc1 s THR 0 CO 0.37 -0.16 0.00 0.23 -2.21 0.00 0.00 174.62 172.85 2kc1 n MET 1 N 4.06 0.00 -3.79 7.08 2.81 -1.26 -4.49 117.12 121.53 2kc1 n MET 1 Ca 0.13 0.00 -0.24 0.00 -1.81 0.00 0.00 57.70 55.78 2kc1 n MET 1 Cb 0.54 0.00 -0.17 0.00 -0.71 0.00 0.00 33.22 32.88 2kc1 n MET 1 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 2kc1 s VAL 2 N 0.00 0.48 0.36 2.03 0.11 -1.26 -5.14 120.40 116.98 2kc1 s VAL 2 Ca 0.00 0.05 0.03 0.00 -2.93 0.00 0.00 61.98 59.14 2kc1 s VAL 2 Cb 0.00 -0.62 -0.04 0.00 -1.53 0.00 0.00 36.38 34.19 2kc1 s VAL 2 CO 0.00 0.27 0.10 0.00 -3.33 0.00 0.00 175.10 172.14 2kc1 s ALA 3 N 1.93 2.60 -0.37 1.54 0.00 -1.26 -4.61 121.76 121.59 2kc1 s ALA 3 Ca 0.05 -1.60 -0.03 0.00 0.00 0.00 0.00 51.96 50.38 2kc1 s ALA 3 Cb -0.12 0.74 0.09 0.00 0.00 0.00 0.00 23.12 23.83 2kc1 s ALA 3 CO -0.06 -0.34 0.14 -0.51 0.00 0.00 0.00 175.76 174.99 2kc1 s LEU 4 N -3.53 4.82 -0.55 0.00 1.43 0.12 -4.79 118.68 116.18 2kc1 s LEU 4 Ca 0.30 -1.77 -0.20 0.00 -1.03 0.00 0.00 54.13 51.43 2kc1 s LEU 4 Cb 0.05 -1.79 0.07 0.00 0.03 0.00 0.00 46.19 44.55 2kc1 s LEU 4 CO 0.15 -0.45 0.69 -0.44 0.23 0.00 0.00 176.35 176.53 2kc1 s SER 5 N 1.61 6.21 0.29 2.29 0.01 -1.26 0.34 113.70 123.18 2kc1 s SER 5 Ca 0.04 -1.07 0.11 0.00 1.31 0.00 0.00 55.95 56.34 2kc1 s SER 5 Cb -0.22 -2.31 -0.05 0.00 0.21 0.00 0.00 66.02 63.65 2kc1 s SER 5 CO -0.03 -1.03 -0.11 -0.76 0.41 0.00 0.00 173.24 171.72 2kc1 s LEU 6 N 2.82 2.83 -0.31 2.44 1.02 -0.42 -1.08 118.68 125.99 2kc1 s LEU 6 Ca 0.15 -0.92 -0.17 0.00 0.02 0.00 0.00 54.13 53.21 2kc1 s LEU 6 Cb -0.20 -1.31 -0.02 0.00 0.02 0.00 0.00 46.19 44.67 2kc1 s LEU 6 CO 0.10 -0.02 0.46 -0.54 0.02 0.00 0.00 176.35 176.37 2kc1 s LYS 7 N -3.59 3.83 -0.31 1.70 1.02 0.39 -1.79 119.74 120.99 2kc1 s LYS 7 Ca 0.31 -0.01 -0.12 0.00 0.02 0.00 0.00 55.97 56.17 2kc1 s LYS 7 Cb -0.04 -3.73 -0.03 0.00 -0.52 0.00 0.00 37.83 33.50 2kc1 s LYS 7 CO 0.17 -0.46 0.24 0.42 -0.92 0.00 0.00 175.35 174.80 2kc1 s ILE 8 N 2.25 5.28 -0.49 2.17 -1.09 0.55 0.13 121.20 129.99 2kc1 s ILE 8 Ca 0.18 0.06 -0.13 0.00 -2.23 0.00 0.00 60.65 58.52 2kc1 s ILE 8 Cb -0.16 -3.63 0.11 0.00 -1.58 0.00 0.00 42.46 37.20 2kc1 s ILE 8 CO 0.11 0.12 0.41 -0.55 -1.23 0.00 0.00 174.94 173.80 2kc1 s SER 9 N 1.74 5.96 -0.84 3.58 0.15 0.89 0.39 113.70 125.56 2kc1 s SER 9 Ca 0.08 -1.73 -0.21 0.00 0.70 0.00 0.00 55.95 54.79 2kc1 s SER 9 Cb -0.17 -2.11 0.10 0.00 -1.71 0.00 0.00 66.02 62.13 2kc1 s SER 9 CO 0.11 -0.74 1.10 -0.63 1.20 0.00 0.00 173.24 174.28 2kc1 s ILE 10 N 1.51 4.51 0.00 6.45 1.01 -0.41 -2.34 121.20 131.92 2kc1 s ILE 10 Ca 0.04 -1.06 0.00 0.00 0.00 0.00 0.00 60.65 59.63 2kc1 s ILE 10 Cb -0.27 -4.77 0.00 0.00 0.01 0.00 0.00 42.46 37.43 2kc1 s ILE 10 CO 0.02 -1.53 0.00 0.61 0.00 0.00 0.00 174.94 174.04 2kc1 n GLY 11 N 5.56 2.02 0.00 6.18 0.00 -1.26 -2.89 105.19 114.80 2kc1 n GLY 11 Ca 0.15 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 6.30 0.74 -4.63 1.61 2.85 -1.26 -5.01 115.26 115.86 2kc1 n ASN 12 Ca 0.00 -0.28 -0.43 0.00 -0.11 0.00 0.00 54.58 53.77 2kc1 n ASN 12 Cb 0.00 0.70 -0.02 0.00 1.24 0.00 0.00 39.78 41.70 2kc1 n ASN 12 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 2kc1 s VAL 13 N -0.85 4.47 -0.19 3.44 1.01 -1.14 -5.01 120.40 122.14 2kc1 s VAL 13 Ca 0.00 1.57 -0.14 0.00 0.00 0.00 0.00 61.98 63.41 2kc1 s VAL 13 Cb 0.00 -4.43 -0.04 0.00 0.00 0.00 0.00 36.38 31.90 2kc1 s VAL 13 CO 0.00 -0.58 0.33 -0.69 0.00 0.00 0.00 175.10 174.16 2kc1 s VAL 14 N 3.76 5.26 -0.11 2.92 1.01 -1.26 -1.29 120.40 130.69 2kc1 s VAL 14 Ca 0.45 0.59 0.03 0.00 0.00 0.00 0.00 61.98 63.04 2kc1 s VAL 14 Cb -0.11 -3.67 -0.01 0.00 0.00 0.00 0.00 36.38 32.60 2kc1 s VAL 14 CO 0.19 0.32 -0.20 -0.54 0.00 0.00 0.00 175.10 174.86 2kc1 s LYS 15 N 0.93 3.14 -0.26 2.72 3.01 0.16 -4.93 119.74 124.51 2kc1 s LYS 15 Ca 0.17 -0.81 -0.29 0.00 -1.01 0.00 0.00 55.97 54.02 2kc1 s LYS 15 Cb -0.14 -2.41 0.00 0.00 -1.01 0.00 0.00 37.83 34.28 2kc1 s LYS 15 CO 0.06 0.20 1.23 0.99 0.51 0.00 0.00 175.35 178.34 2kc1 s THR 16 N 0.32 4.29 -0.02 2.17 2.01 -1.26 -0.33 115.64 122.81 2kc1 s THR 16 Ca -0.16 1.50 0.04 0.00 0.31 0.00 0.00 61.69 63.38 2kc1 s THR 16 Cb -0.17 -4.17 -0.01 0.00 0.01 0.00 0.00 72.50 68.16 2kc1 s THR 16 CO 0.08 -0.35 -0.13 -0.04 -0.69 0.00 0.00 174.62 173.49 2kc1 s MET 17 N 3.80 1.13 -0.29 4.92 -1.94 -0.74 -4.98 119.30 121.21 2kc1 s MET 17 Ca 0.53 -0.44 -0.08 0.00 -1.71 0.00 0.00 55.69 53.98 2kc1 s MET 17 Cb -0.17 -1.07 -0.01 0.00 2.01 0.00 0.00 34.83 35.60 2kc1 s MET 17 CO 0.18 0.23 0.11 -0.65 -0.01 0.00 0.00 175.02 174.88 2kc1 s GLN 18 N -0.13 3.35 0.46 2.03 -0.21 -1.26 -1.29 119.66 122.61 2kc1 s GLN 18 Ca 0.02 -0.70 0.08 0.00 0.02 0.00 0.00 55.36 54.78 2kc1 s GLN 18 Cb -0.07 -3.45 0.01 0.00 1.00 0.00 0.00 33.01 30.50 2kc1 s GLN 18 CO 0.00 -0.37 0.48 -0.06 -2.12 0.00 0.00 175.29 173.22 2kc1 s PHE 19 N 1.58 2.33 -0.06 0.91 0.08 0.15 -4.84 117.98 118.14 2kc1 s PHE 19 Ca 0.04 -0.58 -0.01 0.00 0.12 0.00 0.00 56.93 56.51 2kc1 s PHE 19 Cb -0.17 -2.17 -0.03 0.00 -0.57 0.00 0.00 43.02 40.08 2kc1 s PHE 19 CO 0.05 -0.40 0.02 -1.21 -0.10 0.00 0.00 175.22 173.57 2kc1 s GLU 20 N -4.28 2.97 0.32 0.44 2.02 -1.26 0.13 118.70 119.03 2kc1 s GLU 20 Ca 0.49 -0.45 0.05 0.00 0.02 0.00 0.00 54.97 55.08 2kc1 s GLU 20 Cb -0.05 -2.79 0.67 0.00 0.10 0.00 0.00 34.13 32.06 2kc1 s GLU 20 CO 0.29 0.68 1.86 -1.35 0.02 0.00 0.00 175.26 176.77 2kc1 h PRO 21 N 4.85 0.84 -0.04 0.39 0.11 -1.92 -0.97 132.00 135.27 2kc1 h PRO 21 Ca -0.50 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.56 2kc1 h PRO 21 Cb 1.19 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.11 2kc1 h PRO 21 CO 0.56 0.56 0.00 0.43 -0.21 0.00 0.00 178.00 179.34 2kc1 n SER 22 N -4.57 0.27 -4.74 -2.05 7.64 -1.26 -2.06 113.62 106.85 2kc1 n SER 22 Ca 0.17 -1.77 -0.39 0.00 1.01 0.00 0.00 58.87 57.89 2kc1 n SER 22 Cb 0.38 -0.03 -0.05 0.00 -1.01 0.00 0.00 64.21 63.50 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 -1.95 4.91 0.54 0.44 2.01 -0.37 -4.94 115.64 116.29 2kc1 s THR 23 Ca 0.14 1.39 -0.16 0.00 0.31 0.00 0.00 61.69 63.38 2kc1 s THR 23 Cb 0.07 -4.01 -0.07 0.00 0.01 0.00 0.00 72.50 68.50 2kc1 s THR 23 CO 0.11 0.35 1.01 -0.04 -0.69 0.00 0.00 174.62 175.36 2kc1 s MET 24 N 0.15 3.77 0.25 4.92 -1.94 -1.26 -0.55 119.30 124.63 2kc1 s MET 24 Ca 0.35 1.00 -0.06 0.00 -1.71 0.00 0.00 55.69 55.27 2kc1 s MET 24 Cb -0.19 -2.11 0.27 0.00 2.01 0.00 0.00 34.83 34.82 2kc1 s MET 24 CO 0.19 -0.43 1.89 0.28 -0.01 0.00 0.00 175.02 176.95 2kc1 h VAL 25 N 0.71 1.25 0.00 -6.03 2.07 0.07 0.20 116.25 114.53 2kc1 h VAL 25 Ca -0.47 -0.56 -0.05 0.00 0.82 0.00 0.00 66.70 66.45 2kc1 h VAL 25 Cb 1.19 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 2kc1 h VAL 25 CO 0.60 0.27 -0.23 0.10 0.02 0.00 0.00 177.57 178.33 2kc1 h TYR 26 N 1.26 0.00 0.02 1.57 -0.00 -1.36 -0.32 116.97 118.15 2kc1 h TYR 26 Ca 0.33 0.00 -0.23 0.00 -0.00 0.00 0.00 58.73 58.82 2kc1 h TYR 26 Cb -0.05 0.00 -0.03 0.00 -0.00 0.00 0.00 36.73 36.66 2kc1 h TYR 26 CO 0.01 0.23 -1.14 0.22 -0.00 0.00 0.00 178.16 177.47 2kc1 h ASP 27 N 0.00 0.08 -0.18 0.10 3.58 -1.32 -2.66 116.42 116.02 2kc1 h ASP 27 Ca -0.00 -0.09 -0.08 0.00 0.42 0.00 0.00 57.03 57.28 2kc1 h ASP 27 Cb 0.40 -0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.41 2kc1 h ASP 27 CO 0.03 1.07 -0.13 0.00 -2.88 0.00 0.00 179.24 177.33 2kc1 h ALA 28 N 0.92 1.18 -0.81 -0.78 0.00 -0.08 -1.17 119.26 118.51 2kc1 h ALA 28 Ca -0.07 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2kc1 h ALA 28 Cb 1.84 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 19.45 2kc1 h ALA 28 CO 0.14 0.52 0.51 0.00 0.00 0.00 0.00 179.25 180.42 2kc1 h ARG 30 N 1.11 0.84 -0.15 0.00 2.43 -0.97 -1.94 114.38 115.71 2kc1 h ARG 30 Ca 0.30 -0.09 -0.01 0.00 -0.81 0.00 0.00 59.98 59.37 2kc1 h ARG 30 Cb -0.08 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.29 2kc1 h ARG 30 CO -0.06 0.63 0.06 0.52 -1.51 0.00 0.00 179.97 179.61 2kc1 h MET 31 N 0.82 0.20 -0.01 0.20 2.86 -0.49 -0.04 114.93 118.48 2kc1 h MET 31 Ca 0.22 -0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.79 2kc1 h MET 31 Cb 0.02 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.64 2kc1 h MET 31 CO -0.04 0.17 -0.16 0.82 1.06 0.00 0.00 176.91 178.76 2kc1 h ILE 32 N 0.21 1.55 -0.02 -1.22 1.08 -1.00 -2.89 117.51 115.22 2kc1 h ILE 32 Ca 0.05 -1.84 -0.11 0.00 -0.39 0.00 0.00 64.86 62.57 2kc1 h ILE 32 Cb 0.04 2.72 -0.02 0.00 -3.07 0.00 0.00 36.82 36.50 2kc1 h ILE 32 CO -0.01 0.50 -0.52 0.08 -0.69 0.00 0.00 178.15 177.51 2kc1 h ARG 33 N -0.55 0.04 0.03 2.37 0.11 -0.92 0.47 114.38 115.93 2kc1 h ARG 33 Ca -0.02 -0.02 -0.24 0.00 0.10 0.00 0.00 59.98 59.80 2kc1 h ARG 33 Cb 0.90 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.96 2kc1 h ARG 33 CO 0.03 0.55 -1.15 0.93 0.10 0.00 0.00 179.97 180.43 2kc1 h GLU 34 N 0.03 0.06 0.15 0.08 5.08 -1.15 -3.36 114.58 115.47 2kc1 h GLU 34 Ca -0.00 -0.10 -0.36 0.00 -1.00 0.00 0.00 59.36 57.90 2kc1 h GLU 34 Cb 0.93 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 2kc1 h GLU 34 CO 0.07 0.99 -1.88 -0.09 -1.00 0.00 0.00 179.01 177.09 2kc1 h ARG 35 N 0.02 0.31 -5.04 2.33 1.12 -1.37 -3.45 114.38 108.30 2kc1 h ARG 35 Ca -0.08 -0.53 -0.67 0.00 -1.11 0.00 0.00 59.98 57.60 2kc1 h ARG 35 Cb 1.85 0.20 -0.33 0.00 -0.01 0.00 0.00 29.97 31.67 2kc1 h ARG 35 CO 0.14 1.25 -0.82 0.42 -3.11 0.00 0.00 179.97 177.85 2kc1 s ILE 36 N -2.56 2.45 -0.41 1.20 -1.09 0.16 -4.99 121.20 115.97 2kc1 s ILE 36 Ca -0.20 -0.81 0.27 0.00 -2.23 0.00 0.00 60.65 57.68 2kc1 s ILE 36 Cb 0.06 -2.06 0.31 0.00 -1.58 0.00 0.00 42.46 39.19 2kc1 s ILE 36 CO 0.80 0.50 1.77 1.55 -1.23 0.00 0.00 174.94 178.34 2kc1 h PRO 37 N 7.99 0.00 0.00 2.79 0.13 -1.80 -3.16 132.00 137.95 2kc1 h PRO 37 Ca -0.45 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.65 2kc1 h PRO 37 Cb 1.15 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.27 2kc1 h PRO 37 CO 0.63 0.00 -0.14 0.93 -0.23 0.00 0.00 178.00 179.19 2kc1 h GLU 38 N 0.00 0.00 0.00 0.86 5.08 -1.91 -0.95 114.58 117.66 2kc1 h GLU 38 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2kc1 h GLU 38 Cb 0.62 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.87 2kc1 h GLU 38 CO 0.00 0.14 -0.00 0.00 -1.00 0.00 0.00 179.01 178.15 2kc1 h ALA 39 N 1.86 1.00 -1.39 3.43 0.00 -1.85 -3.42 119.26 118.89 2kc1 h ALA 39 Ca -0.00 -0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.37 2kc1 h ALA 39 Cb 0.36 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.07 2kc1 h ALA 39 CO 0.02 0.00 1.05 -0.51 0.00 0.00 0.00 179.25 179.81 2kc1 s LEU 40 N -6.19 3.20 0.00 0.00 2.01 -0.36 -4.64 118.68 112.70 2kc1 s LEU 40 Ca 0.03 -0.36 0.05 0.00 0.01 0.00 0.00 54.13 53.85 2kc1 s LEU 40 Cb 0.08 -2.65 0.08 0.00 0.01 0.00 0.00 46.19 43.71 2kc1 s LEU 40 CO 0.57 -1.79 1.01 0.00 1.01 0.00 0.00 176.35 177.15 2kc1 n ALA 41 N 9.26 2.08 0.00 4.21 0.00 -1.26 -5.08 120.51 129.72 2kc1 n ALA 41 Ca 0.04 -1.20 0.00 0.00 0.00 0.00 0.00 53.44 52.28 2kc1 n ALA 41 Cb 0.49 -0.52 0.00 0.00 0.00 0.00 0.00 19.45 19.42 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 0.09 0.11 3.77 0.00 0.00 -1.26 -5.12 105.19 102.78 2kc1 n GLY 42 Ca 0.01 -1.35 -0.38 0.00 0.00 0.00 0.00 46.02 44.30 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 -2.00 4.07 0.52 1.61 0.02 -1.26 -4.93 135.00 133.03 2kc1 s PRO 43 Ca 0.00 1.79 0.28 0.00 0.02 0.00 0.00 61.00 63.09 2kc1 s PRO 43 Cb 0.00 -2.66 1.42 0.00 0.02 0.00 0.00 34.50 33.28 2kc1 s PRO 43 CO 0.00 -0.29 2.05 -1.00 -0.33 0.00 0.00 177.00 177.43 2kc1 h PRO 44 N 2.63 0.00 -0.00 5.54 0.13 -1.96 -1.24 132.00 137.10 2kc1 h PRO 44 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2kc1 h PRO 44 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2kc1 h PRO 44 CO 0.62 0.12 -0.06 0.09 -0.23 0.00 0.00 178.00 178.54 2kc1 n ASN 45 N -3.54 0.46 0.17 1.44 5.03 -1.26 -2.51 115.26 115.05 2kc1 n ASN 45 Ca -0.01 -0.73 0.11 0.00 0.87 0.00 0.00 54.58 54.81 2kc1 n ASN 45 Cb 0.26 -0.07 0.10 0.00 -1.02 0.00 0.00 39.78 39.05 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 0.61 0.00 -2.27 6.41 3.58 -1.60 -3.46 116.42 119.70 2kc1 h ASP 46 Ca 0.00 0.00 -0.53 0.00 0.42 0.00 0.00 57.03 56.92 2kc1 h ASP 46 Cb 0.30 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 41.28 2kc1 h ASP 46 CO 0.00 0.06 -0.58 -0.36 -2.88 0.00 0.00 179.24 175.48 2kc1 s PHE 47 N -3.23 2.95 0.36 0.28 0.08 -1.04 -0.39 117.98 116.99 2kc1 s PHE 47 Ca 0.04 -0.15 -0.15 0.00 0.12 0.00 0.00 56.93 56.80 2kc1 s PHE 47 Cb 0.07 -1.33 0.04 0.00 -0.57 0.00 0.00 43.02 41.23 2kc1 s PHE 47 CO 0.72 0.56 0.73 0.20 -0.10 0.00 0.00 175.22 177.32 2kc1 s GLY 48 N -3.69 0.43 -0.22 4.36 0.00 0.15 -4.61 107.32 103.74 2kc1 s GLY 48 Ca 0.32 -0.77 -0.15 0.00 0.00 0.00 0.00 44.72 44.12 2kc1 s GLY 48 CO 0.23 -0.37 0.36 1.08 0.00 0.00 0.00 173.10 174.40 2kc1 s LEU 49 N -3.06 4.13 -0.31 0.66 1.43 -1.26 -1.42 118.68 118.85 2kc1 s LEU 49 Ca 0.17 0.43 -0.04 0.00 -1.03 0.00 0.00 54.13 53.66 2kc1 s LEU 49 Cb -0.05 -2.44 0.04 0.00 0.03 0.00 0.00 46.19 43.77 2kc1 s LEU 49 CO 0.12 -0.07 0.04 0.12 0.23 0.00 0.00 176.35 176.78 2kc1 s PHE 50 N 1.39 3.24 -0.19 0.29 5.36 0.27 -0.79 117.98 127.54 2kc1 s PHE 50 Ca 0.17 -1.63 -0.29 0.00 -0.96 0.00 0.00 56.93 54.21 2kc1 s PHE 50 Cb -0.15 -2.17 -0.04 0.00 -0.34 0.00 0.00 43.02 40.33 2kc1 s PHE 50 CO 0.08 -0.76 1.74 -1.17 -1.46 0.00 0.00 175.22 173.65 2kc1 s LEU 51 N 1.33 3.89 -0.11 6.12 0.20 0.11 -0.17 118.68 130.04 2kc1 s LEU 51 Ca -0.03 1.77 -0.16 0.00 0.69 0.00 0.00 54.13 56.39 2kc1 s LEU 51 Cb -0.19 -3.53 -0.05 0.00 -0.43 0.00 0.00 46.19 41.99 2kc1 s LEU 51 CO 0.00 -1.34 0.41 -0.44 -0.29 0.00 0.00 176.35 174.69 2kc1 s SER 52 N 4.84 6.63 0.46 3.68 0.01 -0.36 -2.35 113.70 126.60 2kc1 s SER 52 Ca 0.77 0.75 0.06 0.00 1.31 0.00 0.00 55.95 58.84 2kc1 s SER 52 Cb -0.28 -2.25 -0.02 0.00 0.21 0.00 0.00 66.02 63.68 2kc1 s SER 52 CO 0.32 0.09 0.22 -0.62 0.41 0.00 0.00 173.24 173.66 2kc1 s ASP 53 N 0.25 4.46 0.39 2.44 2.15 -1.26 -4.52 116.67 120.58 2kc1 s ASP 53 Ca 0.23 -1.19 0.28 0.00 0.43 0.00 0.00 52.55 52.29 2kc1 s ASP 53 Cb -0.15 -0.11 0.99 0.00 -0.30 0.00 0.00 42.92 43.35 2kc1 s ASP 53 CO 0.09 -0.73 1.80 -2.24 -0.17 0.00 0.00 175.17 173.92 2kc1 h ASP 54 N 1.23 0.00 -3.26 -0.34 2.03 -1.98 -3.40 116.42 110.70 2kc1 h ASP 54 Ca -0.41 0.00 -0.67 0.00 -0.73 0.00 0.00 57.03 55.21 2kc1 h ASP 54 Cb 1.27 0.00 -0.32 0.00 -0.83 0.00 0.00 39.33 39.45 2kc1 h ASP 54 CO 0.67 0.00 -0.85 -0.62 -1.03 0.00 0.00 179.24 177.41 2kc1 s ASP 55 N -5.14 3.33 0.34 4.15 2.15 -1.26 -5.04 116.67 115.20 2kc1 s ASP 55 Ca 0.05 -0.54 0.06 0.00 0.43 0.00 0.00 52.55 52.55 2kc1 s ASP 55 Cb 0.09 -1.48 0.73 0.00 -0.30 0.00 0.00 42.92 41.96 2kc1 s ASP 55 CO 0.53 0.10 1.89 1.55 -0.17 0.00 0.00 175.17 179.07 2kc1 h PRO 56 N 7.15 0.76 0.00 4.34 0.13 -1.99 -1.11 132.00 141.28 2kc1 h PRO 56 Ca -0.29 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 2kc1 h PRO 56 Cb 1.20 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.16 2kc1 h PRO 56 CO 0.54 0.51 0.00 0.36 -0.23 0.00 0.00 178.00 179.18 2kc1 n LYS 57 N -4.53 0.38 0.02 0.86 2.85 -1.26 -2.03 118.16 114.44 2kc1 n LYS 57 Ca 0.15 0.02 0.12 0.00 -1.05 0.00 0.00 58.31 57.56 2kc1 n LYS 57 Cb 0.36 -1.50 0.17 0.00 -0.65 0.00 0.00 35.03 33.41 2kc1 n LYS 57 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 2kc1 n LYS 58 N -1.29 0.10 -2.47 -1.58 4.76 -0.42 -4.91 118.16 112.35 2kc1 n LYS 58 Ca 0.13 0.01 -0.40 0.00 -2.87 0.00 0.00 58.31 55.18 2kc1 n LYS 58 Cb 0.22 -1.55 -0.04 0.00 -1.84 0.00 0.00 35.03 31.82 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 -3.23 2.99 0.09 0.72 0.00 -0.86 -4.79 107.32 102.23 2kc1 s GLY 59 Ca 0.09 0.89 0.04 0.00 0.00 0.00 0.00 44.72 45.73 2kc1 s GLY 59 CO 0.73 1.56 -0.10 -0.26 0.00 0.00 0.00 173.10 175.04 2kc1 s ILE 60 N -0.88 0.91 -0.05 0.90 -4.36 -0.99 -4.95 121.20 111.77 2kc1 s ILE 60 Ca 0.46 -1.59 -0.25 0.00 -0.26 0.00 0.00 60.65 59.01 2kc1 s ILE 60 Cb -0.31 -1.29 -0.03 0.00 1.25 0.00 0.00 42.46 42.07 2kc1 s ILE 60 CO 0.39 -0.54 0.77 0.26 0.24 0.00 0.00 174.94 176.07 2kc1 s TRP 61 N -2.34 3.59 0.18 1.37 0.52 -1.26 0.07 118.94 121.08 2kc1 s TRP 61 Ca 0.04 1.36 -0.30 0.00 0.02 0.00 0.00 56.10 57.22 2kc1 s TRP 61 Cb -0.03 -2.89 -0.08 0.00 -1.15 0.00 0.00 33.47 29.32 2kc1 s TRP 61 CO -0.00 0.05 1.03 -0.51 0.02 0.00 0.00 176.95 177.54 2kc1 s LEU 62 N 0.90 4.53 -0.03 2.99 1.02 0.03 -4.94 118.68 123.18 2kc1 s LEU 62 Ca 0.41 2.01 -0.30 0.00 0.02 0.00 0.00 54.13 56.27 2kc1 s LEU 62 Cb -0.18 -3.60 -0.04 0.00 0.02 0.00 0.00 46.19 42.38 2kc1 s LEU 62 CO 0.20 -0.10 1.27 -1.61 0.02 0.00 0.00 176.35 176.13 2kc1 s GLU 63 N -0.56 4.34 0.40 1.70 2.02 -1.26 -4.59 118.70 120.74 2kc1 s GLU 63 Ca 0.46 1.78 0.11 0.00 0.02 0.00 0.00 54.97 57.34 2kc1 s GLU 63 Cb -0.27 -3.54 0.91 0.00 0.10 0.00 0.00 34.13 31.32 2kc1 s GLU 63 CO 0.34 -0.47 1.94 0.00 0.02 0.00 0.00 175.26 177.09 2kc1 h ALA 64 N 7.51 1.91 -0.03 5.21 0.00 -1.94 0.65 119.26 132.56 2kc1 h ALA 64 Ca -0.36 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2kc1 h ALA 64 Cb 1.17 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2kc1 h ALA 64 CO 0.88 -0.07 0.00 0.41 0.00 0.00 0.00 179.25 180.47 2kc1 n GLY 65 N -1.48 -0.74 3.91 0.00 0.00 -1.26 -1.14 105.19 104.48 2kc1 n GLY 65 Ca 0.12 -0.17 -0.20 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.96 2.57 0.25 1.61 -0.14 0.22 -4.94 119.74 117.35 2kc1 s LYS 66 Ca 0.28 -1.50 0.06 0.00 -1.36 0.00 0.00 55.97 53.44 2kc1 s LYS 66 Cb 0.13 -2.45 -0.03 0.00 -1.68 0.00 0.00 37.83 33.80 2kc1 s LYS 66 CO 0.22 -0.26 0.29 0.00 -0.76 0.00 0.00 175.35 174.84 2kc1 s ALA 67 N -2.47 3.79 0.17 5.17 0.00 -1.26 0.48 121.76 127.64 2kc1 s ALA 67 Ca 0.49 -1.32 -0.10 0.00 0.00 0.00 0.00 51.96 51.04 2kc1 s ALA 67 Cb -0.05 -1.54 0.03 0.00 0.00 0.00 0.00 23.12 21.56 2kc1 s ALA 67 CO 0.29 0.24 1.58 -0.07 0.00 0.00 0.00 175.76 177.80 2kc1 h LEU 68 N 1.30 1.03 -1.54 0.00 3.38 -0.95 -2.75 115.31 115.79 2kc1 h LEU 68 Ca -0.50 -0.37 -0.05 0.00 0.09 0.00 0.00 57.88 57.05 2kc1 h LEU 68 Cb 1.23 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 2kc1 h LEU 68 CO 0.61 1.17 -0.20 -0.78 0.09 0.00 0.00 178.44 179.32 2kc1 h ASP 69 N 0.89 0.03 -1.00 -0.43 3.58 -1.64 -2.16 116.42 115.69 2kc1 h ASP 69 Ca 0.13 -0.01 0.08 0.00 0.42 0.00 0.00 57.03 57.65 2kc1 h ASP 69 Cb 0.73 -0.01 -0.07 0.00 1.72 0.00 0.00 39.33 41.70 2kc1 h ASP 69 CO 0.06 0.24 0.65 0.22 -2.88 0.00 0.00 179.24 177.52 2kc1 h TYR 70 N 0.03 1.19 -0.00 0.28 3.20 -1.76 0.71 116.97 120.62 2kc1 h TYR 70 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.91 2kc1 h TYR 70 Cb 0.38 -0.39 0.00 0.00 1.54 0.00 0.00 36.73 38.26 2kc1 h TYR 70 CO 0.00 0.58 -0.07 0.66 -1.64 0.00 0.00 178.16 177.70 2kc1 n TYR 71 N -4.53 0.00 -3.64 -3.82 4.02 -0.83 -4.92 117.16 103.44 2kc1 n TYR 71 Ca 0.16 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.82 2kc1 n TYR 71 Cb 0.22 -0.12 0.07 0.00 -0.02 0.00 0.00 39.34 39.50 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 -0.78 -6.98 -2.20 -0.72 2.81 0.24 -4.96 117.12 104.53 2kc1 n MET 72 Ca 0.17 0.77 -0.36 0.00 -1.81 0.00 0.00 57.70 56.47 2kc1 n MET 72 Cb 0.25 -5.75 0.00 0.00 -0.71 0.00 0.00 33.22 27.02 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 -7.06 3.86 0.22 4.03 1.43 -1.18 -5.05 118.68 114.93 2kc1 s LEU 73 Ca 0.43 2.29 -0.00 0.00 -1.03 0.00 0.00 54.13 55.83 2kc1 s LEU 73 Cb -0.20 -4.41 -0.04 0.00 0.03 0.00 0.00 46.19 41.57 2kc1 s LEU 73 CO 0.76 -1.15 0.13 -0.13 0.23 0.00 0.00 176.35 176.19 2kc1 s ARG 74 N -3.00 1.28 0.21 1.70 0.52 -1.26 -4.91 118.95 113.48 2kc1 s ARG 74 Ca 0.69 -1.68 -0.32 0.00 -0.52 0.00 0.00 55.73 53.90 2kc1 s ARG 74 Cb -0.28 0.16 -0.12 0.00 0.52 0.00 0.00 34.95 35.24 2kc1 s ARG 74 CO 0.32 -0.39 1.72 -0.80 0.02 0.00 0.00 175.30 176.18 2kc1 s ASN 75 N -3.21 6.37 0.00 0.23 0.01 -1.26 -2.76 114.94 114.33 2kc1 s ASN 75 Ca 0.39 2.88 0.00 0.00 -0.71 0.00 0.00 52.86 55.42 2kc1 s ASN 75 Cb 0.07 -2.60 0.00 0.00 0.41 0.00 0.00 41.25 39.13 2kc1 s ASN 75 CO 0.13 -0.98 0.00 0.61 -1.51 0.00 0.00 177.10 175.36 2kc1 n GLY 76 N 3.93 2.59 3.81 0.66 0.00 -0.24 -4.98 105.19 110.97 2kc1 n GLY 76 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.47 5.87 -0.12 1.61 1.01 -1.11 -4.75 116.67 117.71 2kc1 s ASP 77 Ca 0.00 1.78 0.00 0.00 0.71 0.00 0.00 52.55 55.04 2kc1 s ASP 77 Cb 0.00 -2.53 -0.02 0.00 1.01 0.00 0.00 42.92 41.38 2kc1 s ASP 77 CO 0.00 -1.10 -0.13 -0.89 0.21 0.00 0.00 175.17 173.26 2kc1 s THR 78 N -2.50 3.12 -0.02 -1.27 2.01 -1.26 -0.46 115.64 115.25 2kc1 s THR 78 Ca 0.63 -0.65 0.03 0.00 0.31 0.00 0.00 61.69 62.01 2kc1 s THR 78 Cb -0.15 -2.30 -0.00 0.00 0.01 0.00 0.00 72.50 70.06 2kc1 s THR 78 CO 0.37 0.53 -0.12 -0.04 -0.69 0.00 0.00 174.62 174.67 2kc1 s MET 79 N 0.17 1.18 -0.45 4.92 -1.94 0.12 -1.23 119.30 122.07 2kc1 s MET 79 Ca -0.07 -0.43 -0.21 0.00 -1.71 0.00 0.00 55.69 53.27 2kc1 s MET 79 Cb -0.15 -1.09 0.03 0.00 2.01 0.00 0.00 34.83 35.63 2kc1 s MET 79 CO 0.05 0.21 0.66 -1.21 -0.01 0.00 0.00 175.02 174.71 2kc1 s GLU 80 N -0.03 3.27 -0.65 2.03 2.02 0.75 -0.08 118.70 126.01 2kc1 s GLU 80 Ca -0.00 -0.41 -0.28 0.00 0.02 0.00 0.00 54.97 54.30 2kc1 s GLU 80 Cb -0.08 -3.97 0.03 0.00 0.10 0.00 0.00 34.13 30.21 2kc1 s GLU 80 CO 0.00 -1.05 1.26 -0.47 0.02 0.00 0.00 175.26 175.02 2kc1 s TYR 81 N 2.86 2.42 0.25 1.61 6.14 -0.99 -0.56 117.35 129.09 2kc1 s TYR 81 Ca 0.22 0.22 -0.09 0.00 0.64 0.00 0.00 57.07 58.06 2kc1 s TYR 81 Cb -0.14 -4.55 -0.01 0.00 0.42 0.00 0.00 41.96 37.67 2kc1 s TYR 81 CO 0.18 -1.85 0.42 -0.98 0.64 0.00 0.00 175.55 173.97 2kc1 s ARG 82 N 5.38 1.55 -0.06 4.97 1.70 -0.50 -3.99 118.95 128.00 2kc1 s ARG 82 Ca 0.41 -1.39 -0.31 0.00 -0.47 0.00 0.00 55.73 53.97 2kc1 s ARG 82 Cb -0.08 0.44 -0.09 0.00 -0.57 0.00 0.00 34.95 34.64 2kc1 s ARG 82 CO 0.21 -0.63 2.00 1.17 -1.08 0.00 0.00 175.30 176.97 2kc1 n LYS 83 N -0.39 2.46 -2.24 3.89 4.81 -1.26 0.31 118.16 125.74 2kc1 n LYS 83 Ca -0.01 0.87 -0.33 0.00 -0.87 0.00 0.00 58.31 57.97 2kc1 n LYS 83 Cb 0.62 -2.93 -0.01 0.00 0.02 0.00 0.00 35.03 32.73 2kc1 n LYS 83 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 2kc1 s LYS 84 N 4.77 3.59 0.00 1.64 -2.85 0.48 -4.81 119.74 122.56 2kc1 s LYS 84 Ca 0.93 1.16 0.00 0.00 -1.00 0.00 0.00 55.97 57.06 2kc1 s LYS 84 Cb -0.51 -2.07 0.00 0.00 -2.06 0.00 0.00 37.83 33.19 2kc1 s LYS 84 CO 0.44 -0.58 0.00 0.94 0.10 0.00 0.00 175.35 176.25