#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 1.44 0.12 -0.61 1.09 -1.26 -5.13 121.20 116.85 2kc1 s ILE -4 Ca 0.00 -0.63 -0.22 0.00 -1.10 0.00 0.00 60.65 58.69 2kc1 s ILE -4 Cb 0.00 -1.30 -0.07 0.00 -1.06 0.00 0.00 42.46 40.03 2kc1 s ILE -4 CO 0.00 0.43 0.68 1.51 -0.10 0.00 0.00 174.94 177.45 2kc1 s ASP -3 N 0.76 7.23 0.27 3.58 -4.77 -1.26 -4.98 116.67 117.51 2kc1 s ASP -3 Ca -0.12 1.46 0.25 0.00 -3.30 0.00 0.00 52.55 50.85 2kc1 s ASP -3 Cb -0.16 -2.43 0.68 0.00 -1.09 0.00 0.00 42.92 39.92 2kc1 s ASP -3 CO 0.02 0.24 1.72 1.55 0.70 0.00 0.00 175.17 179.41 2kc1 h PRO -2 N 4.43 0.00 0.00 2.11 0.13 -2.00 -3.48 132.00 133.19 2kc1 h PRO -2 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2kc1 h PRO -2 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2kc1 h PRO -2 CO 0.65 0.00 0.00 0.34 -0.23 0.00 0.00 178.00 178.76 2kc1 n PHE -1 N -2.49 0.00 -3.62 1.56 7.35 -1.26 -3.87 117.46 115.14 2kc1 n PHE -1 Ca 0.05 0.00 -0.13 0.00 -0.76 0.00 0.00 57.45 56.61 2kc1 n PHE -1 Cb 0.46 0.00 -0.12 0.00 0.35 0.00 0.00 39.48 40.16 2kc1 n PHE -1 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2kc1 s THR 0 N 0.00 -0.43 0.00 -2.13 -4.23 -1.26 -5.10 115.64 102.49 2kc1 s THR 0 Ca 0.00 0.19 0.00 0.00 -1.18 0.00 0.00 61.69 60.70 2kc1 s THR 0 Cb 0.00 -0.52 0.00 0.00 1.34 0.00 0.00 72.50 73.32 2kc1 s THR 0 CO 0.00 0.05 0.00 0.23 -0.54 0.00 0.00 174.62 174.36 2kc1 n MET 1 N 5.35 0.00 -2.70 3.99 2.81 -1.26 -3.58 117.12 121.72 2kc1 n MET 1 Ca -0.06 0.00 -0.43 0.00 -1.81 0.00 0.00 57.70 55.40 2kc1 n MET 1 Cb 0.50 0.00 -0.01 0.00 -0.71 0.00 0.00 33.22 33.00 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 4.39 0.56 2.03 0.11 -1.26 -4.77 120.40 121.45 2kc1 s VAL 2 Ca 0.00 -1.94 -0.21 0.00 -2.93 0.00 0.00 61.98 56.90 2kc1 s VAL 2 Cb 0.00 -5.07 -0.04 0.00 -1.53 0.00 0.00 36.38 29.73 2kc1 s VAL 2 CO 0.00 -1.87 1.30 0.00 -3.33 0.00 0.00 175.10 171.20 2kc1 s ALA 3 N 3.49 2.73 -0.45 1.54 0.00 -1.24 -4.43 121.76 123.40 2kc1 s ALA 3 Ca 0.48 1.22 -0.16 0.00 0.00 0.00 0.00 51.96 53.51 2kc1 s ALA 3 Cb 0.01 -3.53 0.05 0.00 0.00 0.00 0.00 23.12 19.65 2kc1 s ALA 3 CO 0.02 -1.29 0.39 -0.51 0.00 0.00 0.00 175.76 174.37 2kc1 s LEU 4 N -3.67 5.34 -0.55 0.00 1.43 0.16 -4.60 118.68 116.78 2kc1 s LEU 4 Ca 0.73 -1.10 -0.20 0.00 -1.03 0.00 0.00 54.13 52.53 2kc1 s LEU 4 Cb -0.37 -2.22 0.07 0.00 0.03 0.00 0.00 46.19 43.70 2kc1 s LEU 4 CO 0.43 -0.60 0.73 -0.55 0.23 0.00 0.00 176.35 176.59 2kc1 s SER 5 N 2.25 6.22 0.07 2.29 0.15 -1.26 -0.46 113.70 122.96 2kc1 s SER 5 Ca 0.06 -0.97 0.05 0.00 0.70 0.00 0.00 55.95 55.79 2kc1 s SER 5 Cb -0.22 -2.33 -0.04 0.00 -1.71 0.00 0.00 66.02 61.72 2kc1 s SER 5 CO 0.09 -1.07 -0.04 -0.76 1.20 0.00 0.00 173.24 172.67 2kc1 s LEU 6 N 3.02 3.32 -0.64 3.45 1.02 -0.83 0.33 118.68 128.35 2kc1 s LEU 6 Ca 0.17 -0.20 -0.27 0.00 0.02 0.00 0.00 54.13 53.85 2kc1 s LEU 6 Cb -0.19 -2.02 0.03 0.00 0.02 0.00 0.00 46.19 44.03 2kc1 s LEU 6 CO 0.11 0.21 1.18 -0.54 0.02 0.00 0.00 176.35 177.33 2kc1 s LYS 7 N -2.04 3.35 -0.55 1.70 -0.14 0.18 -2.69 119.74 119.55 2kc1 s LYS 7 Ca 0.22 -0.06 -0.23 0.00 -1.36 0.00 0.00 55.97 54.54 2kc1 s LYS 7 Cb -0.11 -4.09 0.05 0.00 -1.68 0.00 0.00 37.83 31.99 2kc1 s LYS 7 CO 0.14 -1.84 0.87 0.42 -0.76 0.00 0.00 175.35 174.18 2kc1 s ILE 8 N 5.07 4.49 -0.67 2.17 -1.09 0.12 -0.93 121.20 130.36 2kc1 s ILE 8 Ca 0.37 0.06 -0.25 0.00 -2.23 0.00 0.00 60.65 58.60 2kc1 s ILE 8 Cb -0.09 -4.49 0.05 0.00 -1.58 0.00 0.00 42.46 36.34 2kc1 s ILE 8 CO 0.20 -1.07 1.12 -0.44 -1.23 0.00 0.00 174.94 173.52 2kc1 s SER 9 N 2.87 6.22 -0.52 3.58 0.01 0.02 0.09 113.70 125.97 2kc1 s SER 9 Ca 0.26 -0.58 -0.12 0.00 1.31 0.00 0.00 55.95 56.83 2kc1 s SER 9 Cb -0.14 -2.49 0.13 0.00 0.21 0.00 0.00 66.02 63.72 2kc1 s SER 9 CO 0.17 -1.59 0.43 -0.63 0.41 0.00 0.00 173.24 172.03 2kc1 s ILE 10 N 4.84 4.65 0.00 1.44 1.01 0.75 -2.44 121.20 131.44 2kc1 s ILE 10 Ca 0.31 -1.76 0.00 0.00 0.00 0.00 0.00 60.65 59.20 2kc1 s ILE 10 Cb -0.12 -4.02 0.00 0.00 0.01 0.00 0.00 42.46 38.34 2kc1 s ILE 10 CO 0.15 -0.83 0.00 0.61 0.00 0.00 0.00 174.94 174.87 2kc1 n GLY 11 N 4.94 1.41 0.00 6.18 0.00 -1.26 -1.62 105.19 114.84 2kc1 n GLY 11 Ca -0.08 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 4.08 0.24 -4.52 1.61 4.13 -1.26 -5.06 115.26 114.48 2kc1 n ASN 12 Ca 0.00 -0.65 -0.34 0.00 1.68 0.00 0.00 54.58 55.27 2kc1 n ASN 12 Cb 0.00 0.20 -0.12 0.00 -1.54 0.00 0.00 39.78 38.32 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 -0.20 3.85 -0.39 2.41 1.01 -0.64 -5.08 120.40 121.37 2kc1 s VAL 13 Ca 0.00 -0.38 -0.16 0.00 0.00 0.00 0.00 61.98 61.44 2kc1 s VAL 13 Cb 0.00 -2.66 0.01 0.00 0.00 0.00 0.00 36.38 33.73 2kc1 s VAL 13 CO 0.00 0.52 0.38 -0.69 0.00 0.00 0.00 175.10 175.31 2kc1 s VAL 14 N 0.04 5.16 -0.33 2.92 1.01 -1.26 -0.18 120.40 127.76 2kc1 s VAL 14 Ca -0.00 -0.27 -0.08 0.00 0.00 0.00 0.00 61.98 61.62 2kc1 s VAL 14 Cb -0.13 -3.93 0.02 0.00 0.00 0.00 0.00 36.38 32.33 2kc1 s VAL 14 CO 0.03 -0.27 0.13 -0.54 0.00 0.00 0.00 175.10 174.45 2kc1 s LYS 15 N 1.99 2.99 -0.46 2.72 -0.14 0.11 -4.88 119.74 122.08 2kc1 s LYS 15 Ca 0.10 -0.94 -0.24 0.00 -1.36 0.00 0.00 55.97 53.53 2kc1 s LYS 15 Cb -0.17 -3.52 0.03 0.00 -1.68 0.00 0.00 37.83 32.49 2kc1 s LYS 15 CO 0.12 -0.54 0.87 0.99 -0.76 0.00 0.00 175.35 176.03 2kc1 s THR 16 N 1.52 4.54 0.26 2.17 2.01 -1.26 0.10 115.64 124.98 2kc1 s THR 16 Ca 0.02 0.59 0.03 0.00 0.31 0.00 0.00 61.69 62.64 2kc1 s THR 16 Cb -0.18 -4.39 -0.05 0.00 0.01 0.00 0.00 72.50 67.88 2kc1 s THR 16 CO 0.04 -0.80 0.03 -0.32 -0.69 0.00 0.00 174.62 172.88 2kc1 s MET 17 N 3.57 1.41 -0.16 4.92 1.75 -1.09 -5.00 119.30 124.71 2kc1 s MET 17 Ca 0.34 -1.74 -0.00 0.00 -1.25 0.00 0.00 55.69 53.03 2kc1 s MET 17 Cb -0.11 -0.58 -0.00 0.00 2.84 0.00 0.00 34.83 36.98 2kc1 s MET 17 CO 0.25 -0.16 -0.14 -0.65 -0.65 0.00 0.00 175.02 173.66 2kc1 s GLN 18 N -3.91 3.25 0.49 4.11 -0.21 -1.26 -1.97 119.66 120.16 2kc1 s GLN 18 Ca 0.32 -0.73 0.04 0.00 0.02 0.00 0.00 55.36 55.01 2kc1 s GLN 18 Cb 0.07 -2.65 0.04 0.00 1.00 0.00 0.00 33.01 31.47 2kc1 s GLN 18 CO 0.11 0.03 0.34 1.19 -2.12 0.00 0.00 175.29 174.84 2kc1 n PHE 19 N 4.04 -0.54 -4.08 0.91 3.01 0.40 -4.87 117.46 116.33 2kc1 n PHE 19 Ca -0.19 -2.10 -0.31 0.00 1.01 0.00 0.00 57.45 55.86 2kc1 n PHE 19 Cb 0.52 -0.39 -0.07 0.00 -0.01 0.00 0.00 39.48 39.53 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 -3.99 2.93 0.46 -1.08 2.02 -1.26 0.35 118.70 118.13 2kc1 s GLU 20 Ca 0.26 -0.63 0.13 0.00 0.02 0.00 0.00 54.97 54.75 2kc1 s GLU 20 Cb -0.02 -2.76 1.08 0.00 0.10 0.00 0.00 34.13 32.53 2kc1 s GLU 20 CO 0.16 0.59 2.06 -1.35 0.02 0.00 0.00 175.26 176.75 2kc1 h PRO 21 N 3.61 0.29 -0.01 0.39 0.11 -1.91 -1.30 132.00 133.17 2kc1 h PRO 21 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2kc1 h PRO 21 Cb 1.17 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2kc1 h PRO 21 CO 0.64 0.19 0.00 0.45 -0.21 0.00 0.00 178.00 179.07 2kc1 n SER 22 N -4.48 0.44 -4.69 -2.05 2.88 -1.26 -1.63 113.62 102.83 2kc1 n SER 22 Ca 0.04 -1.17 -0.42 0.00 -1.33 0.00 0.00 58.87 55.98 2kc1 n SER 22 Cb 0.20 -0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.63 2kc1 n SER 22 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2kc1 s THR 23 N -1.99 4.14 0.56 2.46 2.01 -0.49 -4.87 115.64 117.45 2kc1 s THR 23 Ca 0.44 1.49 -0.19 0.00 0.31 0.00 0.00 61.69 63.73 2kc1 s THR 23 Cb 0.21 -3.95 -0.05 0.00 0.01 0.00 0.00 72.50 68.72 2kc1 s THR 23 CO 0.35 0.01 1.17 -0.04 -0.69 0.00 0.00 174.62 175.43 2kc1 s MET 24 N 2.09 3.18 0.21 4.92 -1.94 -1.26 -0.85 119.30 125.64 2kc1 s MET 24 Ca 0.58 1.74 -0.10 0.00 -1.71 0.00 0.00 55.69 56.20 2kc1 s MET 24 Cb -0.26 -1.99 0.23 0.00 2.01 0.00 0.00 34.83 34.81 2kc1 s MET 24 CO 0.24 -1.01 1.81 0.28 -0.01 0.00 0.00 175.02 176.33 2kc1 h VAL 25 N 1.08 0.99 0.00 -6.03 2.07 -0.80 0.15 116.25 113.71 2kc1 h VAL 25 Ca -0.50 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 66.74 2kc1 h VAL 25 Cb 1.28 0.22 -0.00 0.00 -1.52 0.00 0.00 31.29 31.27 2kc1 h VAL 25 CO 0.56 0.13 -0.16 0.10 0.02 0.00 0.00 177.57 178.22 2kc1 h TYR 26 N 0.70 0.00 0.03 1.57 -0.00 -1.82 -1.74 116.97 115.71 2kc1 h TYR 26 Ca 0.29 0.00 -0.23 0.00 -0.00 0.00 0.00 58.73 58.79 2kc1 h TYR 26 Cb 0.16 0.00 -0.02 0.00 -0.00 0.00 0.00 36.73 36.86 2kc1 h TYR 26 CO -0.07 0.16 -1.13 0.22 -0.00 0.00 0.00 178.16 177.34 2kc1 h ASP 27 N 0.00 0.09 -0.23 0.10 3.58 -1.44 -2.50 116.42 116.02 2kc1 h ASP 27 Ca -0.00 -0.10 -0.08 0.00 0.42 0.00 0.00 57.03 57.26 2kc1 h ASP 27 Cb 0.64 -0.03 -0.00 0.00 1.72 0.00 0.00 39.33 41.66 2kc1 h ASP 27 CO 0.02 1.08 -0.18 0.00 -2.88 0.00 0.00 179.24 177.29 2kc1 h ALA 28 N 0.90 0.33 0.00 -0.78 0.00 -0.26 -0.93 119.26 118.52 2kc1 h ALA 28 Ca -0.07 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.44 2kc1 h ALA 28 Cb 1.84 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.54 2kc1 h ALA 28 CO 0.14 0.24 -0.31 0.00 0.00 0.00 0.00 179.25 179.32 2kc1 h ARG 30 N 0.00 1.01 -0.85 0.00 2.43 -1.19 -2.75 114.38 113.02 2kc1 h ARG 30 Ca -0.00 -0.32 0.02 0.00 -0.81 0.00 0.00 59.98 58.87 2kc1 h ARG 30 Cb 0.67 -0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 30.08 2kc1 h ARG 30 CO 0.04 1.00 0.56 0.52 -1.51 0.00 0.00 179.97 180.58 2kc1 h MET 31 N 0.90 1.09 -0.89 0.20 2.86 -0.45 -1.69 114.93 116.93 2kc1 h MET 31 Ca 0.16 -0.07 0.01 0.00 -2.06 0.00 0.00 59.70 57.75 2kc1 h MET 31 Cb 0.53 -0.24 -0.04 0.00 0.06 0.00 0.00 31.60 31.91 2kc1 h MET 31 CO 0.03 0.72 0.59 0.82 1.06 0.00 0.00 176.91 180.13 2kc1 h ILE 32 N 1.12 1.23 -0.12 -1.22 1.08 -1.28 -0.85 117.51 117.48 2kc1 h ILE 32 Ca 0.33 -0.42 -0.16 0.00 -0.39 0.00 0.00 64.86 64.21 2kc1 h ILE 32 Cb -0.07 -0.09 -0.01 0.00 -3.07 0.00 0.00 36.82 33.59 2kc1 h ILE 32 CO -0.09 0.22 -0.60 0.03 -0.69 0.00 0.00 178.15 177.03 2kc1 h ARG 33 N 1.22 0.39 0.02 2.37 3.08 -1.06 0.25 114.38 120.65 2kc1 h ARG 33 Ca 0.33 -0.26 -0.23 0.00 0.07 0.00 0.00 59.98 59.88 2kc1 h ARG 33 Cb -0.14 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 29.92 2kc1 h ARG 33 CO -0.07 0.87 -1.13 1.05 -1.07 0.00 0.00 179.97 179.62 2kc1 h GLU 34 N 0.29 0.05 0.11 0.04 4.11 -1.03 -3.35 114.58 114.79 2kc1 h GLU 34 Ca -0.00 -0.08 -0.34 0.00 0.07 0.00 0.00 59.36 59.00 2kc1 h GLU 34 Cb 1.12 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.39 2kc1 h GLU 34 CO 0.10 0.98 -1.85 0.00 0.07 0.00 0.00 179.01 178.31 2kc1 h ARG 35 N 0.01 0.23 -5.20 1.06 2.47 -1.14 -3.46 114.38 108.35 2kc1 h ARG 35 Ca -0.07 -0.39 -0.67 0.00 -1.26 0.00 0.00 59.98 57.59 2kc1 h ARG 35 Cb 1.84 0.14 -0.34 0.00 -1.65 0.00 0.00 29.97 29.96 2kc1 h ARG 35 CO 0.14 1.07 -0.87 0.42 0.56 0.00 0.00 179.97 181.29 2kc1 s ILE 36 N -2.58 2.06 -0.28 2.04 1.01 0.89 -5.00 121.20 119.35 2kc1 s ILE 36 Ca -0.16 -0.98 0.27 0.00 0.00 0.00 0.00 60.65 59.78 2kc1 s ILE 36 Cb 0.07 -1.82 0.34 0.00 0.01 0.00 0.00 42.46 41.06 2kc1 s ILE 36 CO 0.80 0.55 1.78 1.55 0.00 0.00 0.00 174.94 179.62 2kc1 h PRO 37 N 7.34 0.00 0.00 2.79 0.13 -1.80 -3.06 132.00 137.41 2kc1 h PRO 37 Ca -0.33 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.78 2kc1 h PRO 37 Cb 1.19 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 2kc1 h PRO 37 CO 0.56 0.00 -0.11 0.93 -0.23 0.00 0.00 178.00 179.15 2kc1 h GLU 38 N 0.00 0.00 0.00 0.86 4.39 -1.91 -1.96 114.58 115.96 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 0.72 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.37 2kc1 h GLU 38 CO 0.00 0.11 0.00 0.00 -1.16 0.00 0.00 179.01 177.96 2kc1 h ALA 39 N 1.89 1.00 -2.25 3.43 0.00 -1.80 -3.38 119.26 118.15 2kc1 h ALA 39 Ca -0.00 0.00 -0.73 0.00 0.00 0.00 0.00 54.91 54.18 2kc1 h ALA 39 Cb 0.49 0.00 -0.21 0.00 0.00 0.00 0.00 17.79 18.07 2kc1 h ALA 39 CO 0.01 0.00 0.59 -0.51 0.00 0.00 0.00 179.25 179.34 2kc1 s LEU 40 N -6.06 5.69 0.00 0.00 1.43 -0.74 -4.64 118.68 114.35 2kc1 s LEU 40 Ca 0.01 -2.34 0.18 0.00 -1.03 0.00 0.00 54.13 50.94 2kc1 s LEU 40 Cb 0.09 -2.33 0.29 0.00 0.03 0.00 0.00 46.19 44.28 2kc1 s LEU 40 CO 0.52 -0.86 1.10 0.00 0.23 0.00 0.00 176.35 177.34 2kc1 n ALA 41 N 5.52 2.58 0.00 4.21 0.00 -1.26 -5.08 120.51 126.49 2kc1 n ALA 41 Ca 0.21 -1.83 0.00 0.00 0.00 0.00 0.00 53.44 51.82 2kc1 n ALA 41 Cb 0.48 -0.62 0.00 0.00 0.00 0.00 0.00 19.45 19.31 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 0.34 0.42 3.74 0.00 0.00 -1.26 -5.13 105.19 103.30 2kc1 n GLY 42 Ca -0.01 -1.22 -0.35 0.00 0.00 0.00 0.00 46.02 44.44 2kc1 n GLY 42 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2kc1 s PRO 43 N -2.00 2.50 0.38 1.61 0.04 -1.26 -4.92 135.00 131.35 2kc1 s PRO 43 Ca 0.00 1.81 0.06 0.00 0.04 0.00 0.00 61.00 62.91 2kc1 s PRO 43 Cb 0.00 -1.87 0.75 0.00 0.04 0.00 0.00 34.50 33.42 2kc1 s PRO 43 CO 0.00 -1.57 1.97 -1.35 0.04 0.00 0.00 177.00 176.09 2kc1 h PRO 44 N 0.23 0.51 -0.01 0.56 0.11 -1.98 -1.28 132.00 130.14 2kc1 h PRO 44 Ca -0.49 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.55 2kc1 h PRO 44 Cb 1.30 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2kc1 h PRO 44 CO 0.52 0.44 -0.03 0.09 -0.21 0.00 0.00 178.00 178.81 2kc1 n ASN 45 N -4.38 0.93 0.03 -2.05 4.13 -1.26 -3.07 115.26 109.59 2kc1 n ASN 45 Ca 0.02 -1.21 0.12 0.00 1.68 0.00 0.00 54.58 55.19 2kc1 n ASN 45 Cb 0.15 -0.00 0.11 0.00 -1.54 0.00 0.00 39.78 38.50 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 -0.34 0.63 -4.59 6.41 2.03 -0.48 -4.86 116.55 115.34 2kc1 n ASP 46 Ca 0.19 -0.11 -0.29 0.00 0.52 0.00 0.00 54.79 55.10 2kc1 n ASP 46 Cb 0.28 0.47 -0.09 0.00 -0.72 0.00 0.00 41.12 41.05 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 -3.15 2.75 0.30 -0.67 0.40 -1.18 -0.19 117.98 116.24 2kc1 s PHE 47 Ca 0.06 -0.16 -0.11 0.00 -0.60 0.00 0.00 56.93 56.12 2kc1 s PHE 47 Cb 0.15 -1.41 0.01 0.00 0.51 0.00 0.00 43.02 42.27 2kc1 s PHE 47 CO 0.76 0.45 0.56 0.20 0.70 0.00 0.00 175.22 177.88 2kc1 s GLY 48 N -2.36 0.70 -0.29 4.36 0.00 0.03 -4.77 107.32 104.99 2kc1 s GLY 48 Ca 0.23 -0.97 -0.13 0.00 0.00 0.00 0.00 44.72 43.85 2kc1 s GLY 48 CO 0.15 -0.62 0.26 1.08 0.00 0.00 0.00 173.10 173.96 2kc1 s LEU 49 N -3.08 4.12 -0.39 0.66 1.43 -1.26 -1.79 118.68 118.37 2kc1 s LEU 49 Ca 0.22 -0.00 -0.07 0.00 -1.03 0.00 0.00 54.13 53.24 2kc1 s LEU 49 Cb -0.02 -2.22 0.07 0.00 0.03 0.00 0.00 46.19 44.05 2kc1 s LEU 49 CO 0.12 -0.13 0.20 0.12 0.23 0.00 0.00 176.35 176.89 2kc1 s PHE 50 N 1.86 3.34 -0.13 0.29 5.36 0.65 -0.41 117.98 128.93 2kc1 s PHE 50 Ca 0.09 -1.60 -0.29 0.00 -0.96 0.00 0.00 56.93 54.17 2kc1 s PHE 50 Cb -0.16 -2.76 -0.05 0.00 -0.34 0.00 0.00 43.02 39.71 2kc1 s PHE 50 CO 0.11 -0.82 1.83 -1.17 -1.46 0.00 0.00 175.22 173.70 2kc1 s LEU 51 N 1.38 4.00 0.07 6.12 2.96 0.82 0.16 118.68 134.19 2kc1 s LEU 51 Ca 0.02 2.02 -0.12 0.00 -0.22 0.00 0.00 54.13 55.84 2kc1 s LEU 51 Cb -0.22 -3.53 -0.06 0.00 0.50 0.00 0.00 46.19 42.89 2kc1 s LEU 51 CO 0.02 -1.30 0.43 -0.44 -1.32 0.00 0.00 176.35 173.73 2kc1 s SER 52 N 4.96 6.71 0.12 3.68 0.01 -0.57 -2.39 113.70 126.22 2kc1 s SER 52 Ca 0.82 0.88 -0.08 0.00 1.31 0.00 0.00 55.95 58.88 2kc1 s SER 52 Cb -0.32 -2.21 -0.01 0.00 0.21 0.00 0.00 66.02 63.69 2kc1 s SER 52 CO 0.33 0.20 0.21 -0.62 0.41 0.00 0.00 173.24 173.77 2kc1 s ASP 53 N -1.59 0.12 0.41 2.44 2.15 -1.26 -4.52 116.67 114.42 2kc1 s ASP 53 Ca 0.32 -0.80 0.08 0.00 0.43 0.00 0.00 52.55 52.58 2kc1 s ASP 53 Cb -0.15 0.37 0.86 0.00 -0.30 0.00 0.00 42.92 43.70 2kc1 s ASP 53 CO 0.17 -0.79 2.02 -0.78 -0.17 0.00 0.00 175.17 175.63 2kc1 h ASP 54 N 2.70 0.37 -3.37 -0.34 3.58 -1.98 -3.39 116.42 113.99 2kc1 h ASP 54 Ca -0.33 -0.03 -0.60 0.00 0.42 0.00 0.00 57.03 56.49 2kc1 h ASP 54 Cb 1.21 -0.10 -0.10 0.00 1.72 0.00 0.00 39.33 42.07 2kc1 h ASP 54 CO 0.54 0.34 0.31 -0.62 -2.88 0.00 0.00 179.24 176.92 2kc1 s ASP 55 N -6.77 6.73 0.60 2.28 -1.08 -1.26 -4.95 116.67 112.22 2kc1 s ASP 55 Ca -0.07 0.90 0.38 0.00 -0.52 0.00 0.00 52.55 53.24 2kc1 s ASP 55 Cb 0.17 -2.39 1.83 0.00 -1.46 0.00 0.00 42.92 41.06 2kc1 s ASP 55 CO 0.73 -0.42 2.16 1.55 0.52 0.00 0.00 175.17 179.70 2kc1 h PRO 56 N 7.70 0.00 0.00 4.34 0.13 -1.98 -1.70 132.00 140.48 2kc1 h PRO 56 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 2kc1 h PRO 56 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2kc1 h PRO 56 CO 0.82 0.01 -0.73 1.63 -0.23 0.00 0.00 178.00 179.50 2kc1 n LYS 57 N -3.14 0.16 0.00 0.86 5.02 -1.26 -3.40 118.16 116.40 2kc1 n LYS 57 Ca -0.01 0.02 0.13 0.00 -2.02 0.00 0.00 58.31 56.42 2kc1 n LYS 57 Cb 0.20 -1.57 0.37 0.00 -0.02 0.00 0.00 35.03 34.01 2kc1 n LYS 57 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2kc1 n LYS 58 N -1.79 0.24 -2.23 1.97 5.02 -0.65 -4.80 118.16 115.93 2kc1 n LYS 58 Ca 0.04 -0.12 -0.43 0.00 -2.02 0.00 0.00 58.31 55.78 2kc1 n LYS 58 Cb 0.39 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.88 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 -2.85 1.09 0.09 0.72 0.00 -1.19 -4.77 107.32 100.41 2kc1 s GLY 59 Ca 0.16 0.11 0.06 0.00 0.00 0.00 0.00 44.72 45.05 2kc1 s GLY 59 CO 0.62 2.91 -0.16 -0.26 0.00 0.00 0.00 173.10 176.21 2kc1 s ILE 60 N 5.58 1.31 -0.19 0.90 -4.36 -1.01 -4.94 121.20 118.49 2kc1 s ILE 60 Ca 0.67 -1.43 -0.25 0.00 -0.26 0.00 0.00 60.65 59.38 2kc1 s ILE 60 Cb -0.19 -1.27 -0.01 0.00 1.25 0.00 0.00 42.46 42.24 2kc1 s ILE 60 CO 0.31 -0.21 0.84 0.26 0.24 0.00 0.00 174.94 176.38 2kc1 s TRP 61 N -1.38 3.39 0.32 1.37 0.52 -1.26 -0.13 118.94 121.77 2kc1 s TRP 61 Ca 0.02 1.23 -0.27 0.00 0.02 0.00 0.00 56.10 57.10 2kc1 s TRP 61 Cb -0.09 -3.03 -0.09 0.00 -1.15 0.00 0.00 33.47 29.10 2kc1 s TRP 61 CO 0.03 -0.29 1.04 -0.51 0.02 0.00 0.00 176.95 177.24 2kc1 s LEU 62 N 2.38 4.40 0.01 2.99 1.43 0.45 -4.97 118.68 125.37 2kc1 s LEU 62 Ca 0.37 2.10 -0.23 0.00 -1.03 0.00 0.00 54.13 55.34 2kc1 s LEU 62 Cb -0.16 -3.86 -0.05 0.00 0.03 0.00 0.00 46.19 42.14 2kc1 s LEU 62 CO 0.11 -0.22 0.68 -1.61 0.23 0.00 0.00 176.35 175.54 2kc1 s GLU 63 N -1.85 4.41 0.38 1.70 2.02 -1.26 -4.61 118.70 119.50 2kc1 s GLU 63 Ca 0.49 0.89 0.11 0.00 0.02 0.00 0.00 54.97 56.49 2kc1 s GLU 63 Cb -0.26 -3.36 0.91 0.00 0.10 0.00 0.00 34.13 31.52 2kc1 s GLU 63 CO 0.33 0.31 1.89 0.00 0.02 0.00 0.00 175.26 177.82 2kc1 h ALA 64 N 5.72 1.94 0.00 5.21 0.00 -1.95 0.17 119.26 130.35 2kc1 h ALA 64 Ca -0.44 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2kc1 h ALA 64 Cb 1.20 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2kc1 h ALA 64 CO 0.71 -0.16 0.00 0.41 0.00 0.00 0.00 179.25 180.20 2kc1 n GLY 65 N -1.47 -0.81 3.79 0.00 0.00 -1.26 -3.61 105.19 101.83 2kc1 n GLY 65 Ca 0.16 -0.11 -0.23 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.00 2.43 0.45 1.61 -0.14 0.05 -4.99 119.74 117.15 2kc1 s LYS 66 Ca 0.26 -1.58 0.08 0.00 -1.36 0.00 0.00 55.97 53.36 2kc1 s LYS 66 Cb 0.12 -2.22 0.01 0.00 -1.68 0.00 0.00 37.83 34.05 2kc1 s LYS 66 CO 0.20 -0.03 0.48 0.00 -0.76 0.00 0.00 175.35 175.23 2kc1 s ALA 67 N -2.47 4.30 0.19 5.17 0.00 -1.26 -0.42 121.76 127.27 2kc1 s ALA 67 Ca 0.42 -1.80 -0.02 0.00 0.00 0.00 0.00 51.96 50.56 2kc1 s ALA 67 Cb -0.02 -1.19 0.10 0.00 0.00 0.00 0.00 23.12 22.02 2kc1 s ALA 67 CO 0.25 -0.34 1.48 -0.07 0.00 0.00 0.00 175.76 177.08 2kc1 h LEU 68 N 0.80 0.54 -1.29 0.00 3.38 -1.03 -2.87 115.31 114.83 2kc1 h LEU 68 Ca -0.39 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 57.24 2kc1 h LEU 68 Cb 1.28 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.87 2kc1 h LEU 68 CO 0.52 1.03 -0.09 -2.24 0.09 0.00 0.00 178.44 177.75 2kc1 h ASP 69 N 0.35 0.00 -0.86 -0.43 2.03 -1.57 -2.81 116.42 113.13 2kc1 h ASP 69 Ca -0.01 0.00 0.04 0.00 -0.73 0.00 0.00 57.03 56.33 2kc1 h ASP 69 Cb 1.18 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 39.63 2kc1 h ASP 69 CO 0.11 0.09 0.55 0.22 -1.03 0.00 0.00 179.24 179.19 2kc1 h TYR 70 N 0.00 1.03 -0.44 4.15 5.03 -1.76 -1.55 116.97 123.43 2kc1 h TYR 70 Ca -0.00 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.34 2kc1 h TYR 70 Cb 0.61 -0.34 0.00 0.00 1.55 0.00 0.00 36.73 38.56 2kc1 h TYR 70 CO 0.00 0.57 0.00 0.66 -1.32 0.00 0.00 178.16 178.07 2kc1 n TYR 71 N -4.57 0.93 -2.23 -3.82 4.01 -1.07 -4.90 117.16 105.51 2kc1 n TYR 71 Ca 0.11 -0.38 -0.18 0.00 -0.16 0.00 0.00 57.90 57.30 2kc1 n TYR 71 Cb 0.12 -0.15 -0.02 0.00 -0.31 0.00 0.00 39.34 38.98 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 0.70 -1.39 -2.21 -0.72 2.81 -0.58 -4.96 117.12 110.76 2kc1 n MET 72 Ca 0.17 0.89 -0.36 0.00 -1.81 0.00 0.00 57.70 56.59 2kc1 n MET 72 Cb 0.59 -5.35 0.00 0.00 -0.71 0.00 0.00 33.22 27.76 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 -4.96 3.88 0.36 4.03 1.43 -1.13 -5.04 118.68 117.24 2kc1 s LEU 73 Ca 0.00 2.30 -0.02 0.00 -1.03 0.00 0.00 54.13 55.38 2kc1 s LEU 73 Cb 0.00 -4.39 0.01 0.00 0.03 0.00 0.00 46.19 41.83 2kc1 s LEU 73 CO 0.00 -1.12 0.49 -0.13 0.23 0.00 0.00 176.35 175.82 2kc1 s ARG 74 N -2.97 1.97 -0.01 1.70 0.52 -1.26 -4.78 118.95 114.13 2kc1 s ARG 74 Ca 0.68 -1.80 -0.30 0.00 -0.52 0.00 0.00 55.73 53.80 2kc1 s ARG 74 Cb -0.28 0.45 -0.08 0.00 0.52 0.00 0.00 34.95 35.57 2kc1 s ARG 74 CO 0.33 -0.82 1.88 1.21 0.02 0.00 0.00 175.30 177.91 2kc1 s ASN 75 N -3.26 6.47 0.00 0.23 2.47 -1.26 -2.52 114.94 117.08 2kc1 s ASN 75 Ca 0.31 2.49 0.00 0.00 0.42 0.00 0.00 52.86 56.08 2kc1 s ASN 75 Cb -0.01 -2.53 0.00 0.00 -1.45 0.00 0.00 41.25 37.26 2kc1 s ASN 75 CO 0.21 -1.06 0.00 0.61 -3.72 0.00 0.00 177.10 173.15 2kc1 n GLY 76 N 4.47 2.19 3.73 1.21 0.00 0.15 -4.89 105.19 112.05 2kc1 n GLY 76 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.85 3.86 -0.10 1.61 1.01 -1.05 -4.71 116.67 115.44 2kc1 s ASP 77 Ca 0.00 1.81 0.04 0.00 0.71 0.00 0.00 52.55 55.11 2kc1 s ASP 77 Cb 0.00 -2.45 0.00 0.00 1.01 0.00 0.00 42.92 41.48 2kc1 s ASP 77 CO 0.00 -2.44 -0.22 -0.89 0.21 0.00 0.00 175.17 171.83 2kc1 s THR 78 N -2.85 1.90 -0.03 -1.27 2.01 -1.26 0.49 115.64 114.63 2kc1 s THR 78 Ca 0.63 -0.92 0.01 0.00 0.31 0.00 0.00 61.69 61.72 2kc1 s THR 78 Cb -0.19 -1.65 0.02 0.00 0.01 0.00 0.00 72.50 70.69 2kc1 s THR 78 CO 0.57 0.52 -0.03 -0.32 -0.69 0.00 0.00 174.62 174.68 2kc1 s MET 79 N 0.42 0.52 -0.55 4.92 1.75 -0.11 -1.52 119.30 124.75 2kc1 s MET 79 Ca -0.18 -0.04 -0.20 0.00 -1.25 0.00 0.00 55.69 54.01 2kc1 s MET 79 Cb -0.17 -0.59 0.06 0.00 2.84 0.00 0.00 34.83 36.96 2kc1 s MET 79 CO 0.08 -0.06 0.74 -1.21 -0.65 0.00 0.00 175.02 173.91 2kc1 s GLU 80 N 0.74 3.15 -0.61 4.11 2.02 0.12 -0.80 118.70 127.44 2kc1 s GLU 80 Ca -0.09 -0.83 -0.27 0.00 0.02 0.00 0.00 54.97 53.80 2kc1 s GLU 80 Cb -0.12 -4.13 0.03 0.00 0.10 0.00 0.00 34.13 30.02 2kc1 s GLU 80 CO -0.01 -1.39 1.15 -0.47 0.02 0.00 0.00 175.26 174.56 2kc1 s TYR 81 N 3.06 2.58 0.25 1.61 5.04 -1.02 -0.25 117.35 128.61 2kc1 s TYR 81 Ca 0.18 0.20 -0.09 0.00 -2.44 0.00 0.00 57.07 54.93 2kc1 s TYR 81 Cb -0.18 -4.44 -0.01 0.00 0.35 0.00 0.00 41.96 37.67 2kc1 s TYR 81 CO 0.12 -1.64 0.39 -0.98 -1.34 0.00 0.00 175.55 172.10 2kc1 s ARG 82 N 4.88 1.51 -0.09 4.97 1.70 -0.74 -4.14 118.95 127.03 2kc1 s ARG 82 Ca 0.38 -1.41 -0.29 0.00 -0.47 0.00 0.00 55.73 53.93 2kc1 s ARG 82 Cb -0.09 0.42 -0.06 0.00 -0.57 0.00 0.00 34.95 34.65 2kc1 s ARG 82 CO 0.22 -0.60 1.79 0.21 -1.08 0.00 0.00 175.30 175.84 2kc1 s LYS 83 N -3.93 3.95 -0.11 3.89 2.20 -1.26 -0.79 119.74 123.69 2kc1 s LYS 83 Ca 0.28 2.15 -0.19 0.00 -0.36 0.00 0.00 55.97 57.85 2kc1 s LYS 83 Cb 0.01 -4.09 -0.04 0.00 -1.51 0.00 0.00 37.83 32.20 2kc1 s LYS 83 CO 0.11 -1.13 0.53 -1.59 -0.36 0.00 0.00 175.35 172.91 2kc1 s LYS 84 N 4.58 4.36 0.00 4.03 -2.85 0.73 -4.89 119.74 125.70 2kc1 s LYS 84 Ca 0.80 0.55 0.00 0.00 -1.00 0.00 0.00 55.97 56.32 2kc1 s LYS 84 Cb -0.34 -3.44 0.00 0.00 -2.06 0.00 0.00 37.83 31.99 2kc1 s LYS 84 CO 0.33 0.13 0.00 0.94 0.10 0.00 0.00 175.35 176.86