#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 -0.05 0.35 -0.61 2.07 -1.26 -5.15 121.20 116.56 2kc1 s ILE -4 Ca 0.00 0.17 -0.17 0.00 -1.41 0.00 0.00 60.65 59.24 2kc1 s ILE -4 Cb 0.00 -0.26 -0.10 0.00 0.13 0.00 0.00 42.46 42.23 2kc1 s ILE -4 CO 0.00 0.07 0.80 1.51 -1.91 0.00 0.00 174.94 175.41 2kc1 s ASP -3 N 1.15 6.83 -0.54 4.50 -4.77 -1.26 -5.00 116.67 117.58 2kc1 s ASP -3 Ca -0.09 1.41 -0.28 0.00 -3.30 0.00 0.00 52.55 50.29 2kc1 s ASP -3 Cb -0.11 -2.43 0.02 0.00 -1.09 0.00 0.00 42.92 39.32 2kc1 s ASP -3 CO -0.06 -0.25 1.25 -2.84 0.70 0.00 0.00 175.17 173.97 2kc1 s PRO -2 N -3.02 3.52 0.00 2.11 0.02 -1.26 -4.68 135.00 131.69 2kc1 s PRO -2 Ca 0.56 0.42 0.00 0.00 0.02 0.00 0.00 61.00 62.01 2kc1 s PRO -2 Cb -0.10 -4.02 0.00 0.00 0.02 0.00 0.00 34.50 30.40 2kc1 s PRO -2 CO 0.16 -1.67 0.00 1.97 -0.33 0.00 0.00 177.00 177.13 2kc1 n PHE -1 N 8.60 0.00 0.00 6.54 1.16 -1.26 -5.06 117.46 127.44 2kc1 n PHE -1 Ca 0.11 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.69 2kc1 n PHE -1 Cb 0.49 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.36 2kc1 n PHE -1 CO 0.00 0.00 0.00 2.41 -1.87 0.00 0.00 176.76 177.30 2kc1 n THR 0 N -1.44 0.00 -1.93 1.97 -1.04 -1.26 -4.78 114.28 105.80 2kc1 n THR 0 Ca 0.00 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.72 2kc1 n THR 0 Cb 0.16 0.00 0.12 0.00 -1.82 0.00 0.00 70.33 68.79 2kc1 n THR 0 CO 0.00 0.00 0.00 -0.04 -0.64 0.00 0.00 175.07 174.39 2kc1 s MET 1 N 0.00 1.61 0.02 -2.82 -1.94 -1.26 -4.96 119.30 109.95 2kc1 s MET 1 Ca 0.00 -0.05 -0.30 0.00 -1.71 0.00 0.00 55.69 53.63 2kc1 s MET 1 Cb 0.00 -1.93 -0.09 0.00 2.01 0.00 0.00 34.83 34.82 2kc1 s MET 1 CO 0.00 -1.80 1.98 0.54 -0.01 0.00 0.00 175.02 175.73 2kc1 s VAL 2 N -3.65 3.02 -0.03 -6.03 0.11 -1.26 -4.97 120.40 107.60 2kc1 s VAL 2 Ca 0.65 0.03 0.07 0.00 -2.93 0.00 0.00 61.98 59.80 2kc1 s VAL 2 Cb -0.09 -3.02 -0.02 0.00 -1.53 0.00 0.00 36.38 31.72 2kc1 s VAL 2 CO 0.50 -0.00 -0.24 0.00 -3.33 0.00 0.00 175.10 172.03 2kc1 s ALA 3 N 4.75 2.26 -0.44 1.54 0.00 -1.26 -4.28 121.76 124.33 2kc1 s ALA 3 Ca 0.89 -1.08 -0.17 0.00 0.00 0.00 0.00 51.96 51.60 2kc1 s ALA 3 Cb -0.42 -0.65 0.03 0.00 0.00 0.00 0.00 23.12 22.09 2kc1 s ALA 3 CO 0.41 0.52 0.44 -0.51 0.00 0.00 0.00 175.76 176.62 2kc1 s LEU 4 N -0.58 4.99 -0.62 0.00 1.43 0.22 -4.84 118.68 119.28 2kc1 s LEU 4 Ca 0.09 -0.80 -0.25 0.00 -1.03 0.00 0.00 54.13 52.13 2kc1 s LEU 4 Cb -0.11 -2.35 0.04 0.00 0.03 0.00 0.00 46.19 43.81 2kc1 s LEU 4 CO -0.00 -0.61 1.08 -0.44 0.23 0.00 0.00 176.35 176.61 2kc1 s SER 5 N 1.98 6.29 0.16 2.29 0.01 -1.26 -0.38 113.70 122.80 2kc1 s SER 5 Ca 0.11 -0.38 0.08 0.00 1.31 0.00 0.00 55.95 57.06 2kc1 s SER 5 Cb -0.18 -2.49 -0.04 0.00 0.21 0.00 0.00 66.02 63.52 2kc1 s SER 5 CO 0.12 -1.47 -0.03 -0.76 0.41 0.00 0.00 173.24 171.51 2kc1 s LEU 6 N 4.61 3.21 -0.53 2.44 1.02 0.47 0.30 118.68 130.19 2kc1 s LEU 6 Ca 0.33 -0.43 -0.20 0.00 0.02 0.00 0.00 54.13 53.85 2kc1 s LEU 6 Cb -0.11 -1.89 0.06 0.00 0.02 0.00 0.00 46.19 44.27 2kc1 s LEU 6 CO 0.18 0.11 0.72 -0.54 0.02 0.00 0.00 176.35 176.84 2kc1 s LYS 7 N -2.80 3.17 -0.51 1.70 -0.14 0.23 -1.10 119.74 120.29 2kc1 s LYS 7 Ca 0.26 -0.76 -0.15 0.00 -1.36 0.00 0.00 55.97 53.96 2kc1 s LYS 7 Cb -0.09 -4.10 0.11 0.00 -1.68 0.00 0.00 37.83 32.06 2kc1 s LYS 7 CO 0.17 -1.34 0.44 0.42 -0.76 0.00 0.00 175.35 174.29 2kc1 s ILE 8 N 3.03 5.05 -0.69 2.17 -1.09 0.84 -0.54 121.20 129.97 2kc1 s ILE 8 Ca 0.19 -1.41 -0.27 0.00 -2.23 0.00 0.00 60.65 56.92 2kc1 s ILE 8 Cb -0.18 -4.18 0.03 0.00 -1.58 0.00 0.00 42.46 36.55 2kc1 s ILE 8 CO 0.13 -0.76 1.30 -0.44 -1.23 0.00 0.00 174.94 173.94 2kc1 s SER 9 N 3.15 6.17 -0.86 3.58 0.01 0.62 0.08 113.70 126.45 2kc1 s SER 9 Ca 0.04 -0.24 -0.23 0.00 1.31 0.00 0.00 55.95 56.83 2kc1 s SER 9 Cb -0.28 -2.56 0.07 0.00 0.21 0.00 0.00 66.02 63.47 2kc1 s SER 9 CO 0.03 -1.79 1.23 -0.63 0.41 0.00 0.00 173.24 172.50 2kc1 s ILE 10 N 5.77 4.17 0.00 1.44 1.01 0.13 -0.90 121.20 132.82 2kc1 s ILE 10 Ca 0.39 -0.64 0.00 0.00 0.00 0.00 0.00 60.65 60.40 2kc1 s ILE 10 Cb -0.08 -4.88 0.00 0.00 0.01 0.00 0.00 42.46 37.51 2kc1 s ILE 10 CO 0.18 -1.71 0.00 0.61 0.00 0.00 0.00 174.94 174.02 2kc1 n GLY 11 N 5.90 1.44 0.00 6.18 0.00 -1.09 -2.10 105.19 115.52 2kc1 n GLY 11 Ca 0.17 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.56 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 3.26 4.09 -4.57 1.61 3.02 -1.26 -5.02 115.26 116.40 2kc1 n ASN 12 Ca 0.00 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.16 2kc1 n ASN 12 Cb 0.00 0.42 -0.10 0.00 -0.61 0.00 0.00 39.78 39.49 2kc1 n ASN 12 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2kc1 s VAL 13 N -1.81 5.24 -0.13 2.41 1.01 -0.89 -5.02 120.40 121.21 2kc1 s VAL 13 Ca 0.00 0.15 -0.14 0.00 0.00 0.00 0.00 61.98 61.98 2kc1 s VAL 13 Cb 0.00 -3.68 -0.05 0.00 0.00 0.00 0.00 36.38 32.66 2kc1 s VAL 13 CO 0.00 0.09 0.33 0.54 0.00 0.00 0.00 175.10 176.07 2kc1 s VAL 14 N 1.88 5.25 -0.02 2.92 0.11 -1.26 0.17 120.40 129.46 2kc1 s VAL 14 Ca 0.10 0.64 0.03 0.00 -2.93 0.00 0.00 61.98 59.82 2kc1 s VAL 14 Cb -0.16 -3.66 -0.03 0.00 -1.53 0.00 0.00 36.38 30.99 2kc1 s VAL 14 CO 0.11 0.42 -0.07 -0.54 -3.33 0.00 0.00 175.10 171.69 2kc1 s LYS 15 N 0.16 2.60 -0.50 1.54 -0.14 0.11 -4.86 119.74 118.65 2kc1 s LYS 15 Ca 0.19 -0.67 -0.25 0.00 -1.36 0.00 0.00 55.97 53.87 2kc1 s LYS 15 Cb -0.14 -2.52 0.03 0.00 -1.68 0.00 0.00 37.83 33.52 2kc1 s LYS 15 CO 0.06 0.62 0.96 0.99 -0.76 0.00 0.00 175.35 177.22 2kc1 s THR 16 N -0.94 4.40 -0.01 2.17 2.01 -1.26 -0.11 115.64 121.90 2kc1 s THR 16 Ca 0.16 0.61 0.07 0.00 0.31 0.00 0.00 61.69 62.84 2kc1 s THR 16 Cb -0.11 -4.50 -0.02 0.00 0.01 0.00 0.00 72.50 67.87 2kc1 s THR 16 CO 0.06 -0.98 -0.22 -0.04 -0.69 0.00 0.00 174.62 172.75 2kc1 s MET 17 N 3.95 2.15 -0.37 4.92 -1.94 -0.26 -4.96 119.30 122.79 2kc1 s MET 17 Ca 0.36 -0.91 -0.08 0.00 -1.71 0.00 0.00 55.69 53.34 2kc1 s MET 17 Cb -0.11 -2.13 0.05 0.00 2.01 0.00 0.00 34.83 34.65 2kc1 s MET 17 CO 0.24 0.56 0.17 -0.65 -0.01 0.00 0.00 175.02 175.33 2kc1 s GLN 18 N -0.87 2.66 0.48 2.03 -0.21 -1.26 -0.40 119.66 122.10 2kc1 s GLN 18 Ca 0.11 -1.22 0.08 0.00 0.02 0.00 0.00 55.36 54.35 2kc1 s GLN 18 Cb -0.10 -3.61 0.08 0.00 1.00 0.00 0.00 33.01 30.38 2kc1 s GLN 18 CO 0.01 -0.74 0.66 1.19 -2.12 0.00 0.00 175.29 174.28 2kc1 n PHE 19 N 4.89 -2.40 -4.36 0.91 3.72 0.49 -4.80 117.46 115.91 2kc1 n PHE 19 Ca -0.12 -1.75 -0.32 0.00 -0.05 0.00 0.00 57.45 55.21 2kc1 n PHE 19 Cb 0.45 -0.46 -0.10 0.00 -0.94 0.00 0.00 39.48 38.43 2kc1 n PHE 19 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 2kc1 s GLU 20 N -4.17 2.54 0.46 -1.08 8.01 -1.26 0.70 118.70 123.90 2kc1 s GLU 20 Ca 0.50 -0.75 0.20 0.00 0.01 0.00 0.00 54.97 54.93 2kc1 s GLU 20 Cb -0.04 -2.51 1.20 0.00 -4.31 0.00 0.00 34.13 28.46 2kc1 s GLU 20 CO 0.32 0.59 1.92 -1.35 0.01 0.00 0.00 175.26 176.74 2kc1 h PRO 21 N 4.25 0.26 -0.00 0.39 0.11 -1.94 -0.16 132.00 134.90 2kc1 h PRO 21 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2kc1 h PRO 21 Cb 1.17 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2kc1 h PRO 21 CO 0.55 0.17 -0.06 0.45 -0.21 0.00 0.00 178.00 178.90 2kc1 n SER 22 N -4.43 0.41 -4.75 -2.05 2.88 -1.26 -2.15 113.62 102.27 2kc1 n SER 22 Ca 0.15 -0.68 -0.41 0.00 -1.33 0.00 0.00 58.87 56.60 2kc1 n SER 22 Cb 0.65 -0.08 -0.03 0.00 -0.75 0.00 0.00 64.21 64.00 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 -2.35 3.26 0.38 2.46 2.01 -0.07 -4.85 115.64 116.48 2kc1 s THR 23 Ca 0.33 1.16 -0.10 0.00 0.31 0.00 0.00 61.69 63.39 2kc1 s THR 23 Cb 0.21 -3.74 -0.06 0.00 0.01 0.00 0.00 72.50 68.91 2kc1 s THR 23 CO 0.44 0.24 0.74 -0.04 -0.69 0.00 0.00 174.62 175.30 2kc1 s MET 24 N -0.99 3.78 0.11 4.92 -1.94 -1.26 -0.66 119.30 123.26 2kc1 s MET 24 Ca 0.50 0.42 -0.24 0.00 -1.71 0.00 0.00 55.69 54.66 2kc1 s MET 24 Cb -0.35 -2.43 -0.09 0.00 2.01 0.00 0.00 34.83 33.97 2kc1 s MET 24 CO 0.42 0.01 1.69 0.28 -0.01 0.00 0.00 175.02 177.42 2kc1 h VAL 25 N 1.20 0.71 0.00 -6.03 2.07 -0.60 0.25 116.25 113.85 2kc1 h VAL 25 Ca -0.47 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.01 2kc1 h VAL 25 Cb 1.19 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 2kc1 h VAL 25 CO 0.64 0.00 -0.20 0.10 0.02 0.00 0.00 177.57 178.14 2kc1 h TYR 26 N -0.21 0.00 0.09 1.57 -0.00 -1.80 -0.62 116.97 116.01 2kc1 h TYR 26 Ca 0.04 0.00 -0.27 0.00 -0.00 0.00 0.00 58.73 58.50 2kc1 h TYR 26 Cb 0.25 0.00 0.01 0.00 -0.00 0.00 0.00 36.73 36.99 2kc1 h TYR 26 CO -0.17 0.20 -1.16 0.22 -0.00 0.00 0.00 178.16 177.25 2kc1 h ASP 27 N 0.00 0.57 -0.08 0.10 3.58 -1.64 -2.50 116.42 116.44 2kc1 h ASP 27 Ca -0.00 -0.54 -0.05 0.00 0.42 0.00 0.00 57.03 56.86 2kc1 h ASP 27 Cb 0.39 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.25 2kc1 h ASP 27 CO 0.03 1.38 -0.08 0.00 -2.88 0.00 0.00 179.24 177.69 2kc1 h ALA 28 N 0.55 1.44 -0.68 -0.78 0.00 0.22 -0.04 119.26 119.97 2kc1 h ALA 28 Ca -0.13 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 2kc1 h ALA 28 Cb 1.84 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 19.49 2kc1 h ALA 28 CO 0.20 0.39 0.31 0.00 0.00 0.00 0.00 179.25 180.15 2kc1 h ARG 30 N 0.95 0.63 -0.70 0.00 2.43 -0.85 -2.57 114.38 114.26 2kc1 h ARG 30 Ca 0.23 -0.17 0.01 0.00 -0.81 0.00 0.00 59.98 59.24 2kc1 h ARG 30 Cb 0.15 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.59 2kc1 h ARG 30 CO -0.03 0.69 0.46 0.52 -1.51 0.00 0.00 179.97 180.11 2kc1 h MET 31 N 0.58 0.91 -0.20 0.20 2.86 -0.53 -0.82 114.93 117.94 2kc1 h MET 31 Ca 0.11 -0.05 -0.04 0.00 -2.06 0.00 0.00 59.70 57.66 2kc1 h MET 31 Cb 0.45 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.90 2kc1 h MET 31 CO 0.02 0.60 -0.04 0.82 1.06 0.00 0.00 176.91 179.38 2kc1 h ILE 32 N 0.94 1.28 0.00 -1.22 1.08 -1.07 -0.17 117.51 118.35 2kc1 h ILE 32 Ca 0.26 -0.99 -0.11 0.00 -0.39 0.00 0.00 64.86 63.63 2kc1 h ILE 32 Cb -0.10 1.54 -0.02 0.00 -3.07 0.00 0.00 36.82 35.18 2kc1 h ILE 32 CO -0.06 0.30 -0.52 0.08 -0.69 0.00 0.00 178.15 177.26 2kc1 h ARG 33 N 0.10 0.00 0.03 2.37 0.11 -1.35 0.13 114.38 115.78 2kc1 h ARG 33 Ca 0.05 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 60.05 2kc1 h ARG 33 Cb 0.47 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.55 2kc1 h ARG 33 CO 0.02 0.52 -0.37 0.93 0.10 0.00 0.00 179.97 181.16 2kc1 h GLU 34 N 0.00 0.07 0.00 0.08 5.08 -1.11 -3.36 114.58 115.33 2kc1 h GLU 34 Ca -0.01 -0.12 -0.16 0.00 -1.00 0.00 0.00 59.36 58.07 2kc1 h GLU 34 Cb 0.94 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.21 2kc1 h GLU 34 CO 0.07 1.06 -0.78 0.00 -1.00 0.00 0.00 179.01 178.36 2kc1 h ARG 35 N -0.84 0.00 -4.88 2.33 2.47 -1.07 -3.41 114.38 108.98 2kc1 h ARG 35 Ca -0.08 0.00 -0.67 0.00 -1.26 0.00 0.00 59.98 57.96 2kc1 h ARG 35 Cb 1.20 0.00 -0.35 0.00 -1.65 0.00 0.00 29.97 29.17 2kc1 h ARG 35 CO 0.01 0.78 -0.77 0.42 0.56 0.00 0.00 179.97 180.96 2kc1 s ILE 36 N -3.14 2.50 -0.32 2.04 1.01 0.47 -4.97 121.20 118.78 2kc1 s ILE 36 Ca 0.00 -1.34 0.27 0.00 0.00 0.00 0.00 60.65 59.58 2kc1 s ILE 36 Cb 0.11 -2.36 0.32 0.00 0.01 0.00 0.00 42.46 40.54 2kc1 s ILE 36 CO 0.78 0.08 1.80 1.55 0.00 0.00 0.00 174.94 179.16 2kc1 h PRO 37 N 7.90 0.00 0.00 2.79 0.13 -1.79 -2.99 132.00 138.04 2kc1 h PRO 37 Ca -0.26 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.76 2kc1 h PRO 37 Cb 1.07 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.19 2kc1 h PRO 37 CO 0.53 0.00 -0.51 0.93 -0.23 0.00 0.00 178.00 178.72 2kc1 h GLU 38 N 0.00 0.00 0.00 0.86 5.08 -1.89 -2.32 114.58 116.31 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 0.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.84 2kc1 h GLU 38 CO 0.00 0.51 0.00 0.00 -1.00 0.00 0.00 179.01 178.52 2kc1 n ALA 39 N -2.43 2.31 -2.29 3.43 0.00 -1.13 -4.66 120.51 115.75 2kc1 n ALA 39 Ca -0.01 -0.10 -0.35 0.00 0.00 0.00 0.00 53.44 52.97 2kc1 n ALA 39 Cb 0.53 -1.46 -0.04 0.00 0.00 0.00 0.00 19.45 18.48 2kc1 n ALA 39 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2kc1 s LEU 40 N -2.91 3.30 0.00 0.00 1.43 -0.88 -4.50 118.68 115.12 2kc1 s LEU 40 Ca 0.16 -0.81 0.09 0.00 -1.03 0.00 0.00 54.13 52.54 2kc1 s LEU 40 Cb 0.19 -2.56 0.14 0.00 0.03 0.00 0.00 46.19 43.99 2kc1 s LEU 40 CO 0.50 -2.15 1.00 0.00 0.23 0.00 0.00 176.35 175.92 2kc1 n ALA 41 N 11.48 2.26 0.00 4.21 0.00 -1.26 -5.09 120.51 132.11 2kc1 n ALA 41 Ca 0.31 -1.31 0.00 0.00 0.00 0.00 0.00 53.44 52.44 2kc1 n ALA 41 Cb 0.49 -0.51 0.00 0.00 0.00 0.00 0.00 19.45 19.43 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 0.17 1.50 3.72 0.00 0.00 -1.26 -5.09 105.19 104.21 2kc1 n GLY 42 Ca -0.00 -1.10 -0.31 0.00 0.00 0.00 0.00 46.02 44.61 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 1.54 0.21 1.61 0.04 -1.26 -4.91 135.00 130.23 2kc1 s PRO 43 Ca 0.00 1.23 -0.09 0.00 0.04 0.00 0.00 61.00 62.18 2kc1 s PRO 43 Cb 0.00 -1.81 0.27 0.00 0.04 0.00 0.00 34.50 33.00 2kc1 s PRO 43 CO 0.00 -2.17 1.77 -1.35 0.04 0.00 0.00 177.00 175.29 2kc1 h PRO 44 N -1.52 0.52 -0.66 0.56 0.11 -1.96 -1.64 132.00 127.42 2kc1 h PRO 44 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2kc1 h PRO 44 Cb 1.26 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2kc1 h PRO 44 CO 0.48 0.34 0.00 0.27 -0.21 0.00 0.00 178.00 178.89 2kc1 n ASN 45 N -4.90 4.03 0.10 -2.05 0.23 -1.26 -3.58 115.26 107.82 2kc1 n ASN 45 Ca 0.09 -2.13 -0.05 0.00 -0.53 0.00 0.00 54.58 51.96 2kc1 n ASN 45 Cb 0.24 -0.48 0.02 0.00 -2.08 0.00 0.00 39.78 37.47 2kc1 n ASN 45 CO 0.00 0.00 0.00 -0.78 -0.93 0.00 0.00 177.26 175.55 2kc1 h ASP 46 N 3.90 0.01 -1.97 0.53 3.58 -1.65 -3.44 116.42 117.38 2kc1 h ASP 46 Ca 0.00 -0.01 -0.43 0.00 0.42 0.00 0.00 57.03 57.01 2kc1 h ASP 46 Cb 1.08 -0.00 0.03 0.00 1.72 0.00 0.00 39.33 42.16 2kc1 h ASP 46 CO 0.06 0.83 -0.16 -0.36 -2.88 0.00 0.00 179.24 176.73 2kc1 s PHE 47 N -3.14 2.87 0.20 0.28 0.40 -1.21 -0.69 117.98 116.69 2kc1 s PHE 47 Ca -0.00 -0.20 -0.22 0.00 -0.60 0.00 0.00 56.93 55.91 2kc1 s PHE 47 Cb 0.11 -2.51 0.05 0.00 0.51 0.00 0.00 43.02 41.19 2kc1 s PHE 47 CO 0.79 -0.58 0.64 0.20 0.70 0.00 0.00 175.22 176.97 2kc1 s GLY 48 N -4.36 -0.44 -0.15 4.36 0.00 0.62 -4.73 107.32 102.60 2kc1 s GLY 48 Ca 0.55 0.23 -0.23 0.00 0.00 0.00 0.00 44.72 45.26 2kc1 s GLY 48 CO 0.35 0.07 0.73 1.08 0.00 0.00 0.00 173.10 175.34 2kc1 s LEU 49 N -2.81 4.20 -0.32 0.66 1.43 -1.26 -1.61 118.68 118.98 2kc1 s LEU 49 Ca 0.04 1.07 -0.08 0.00 -1.03 0.00 0.00 54.13 54.12 2kc1 s LEU 49 Cb -0.03 -3.08 0.01 0.00 0.03 0.00 0.00 46.19 43.12 2kc1 s LEU 49 CO -0.07 -0.28 0.13 0.12 0.23 0.00 0.00 176.35 176.48 2kc1 s PHE 50 N 1.70 3.18 -0.42 0.29 5.36 -0.54 -2.55 117.98 125.01 2kc1 s PHE 50 Ca 0.35 -0.86 -0.29 0.00 -0.96 0.00 0.00 56.93 55.17 2kc1 s PHE 50 Cb -0.17 -2.32 0.02 0.00 -0.34 0.00 0.00 43.02 40.21 2kc1 s PHE 50 CO 0.13 -0.55 1.29 -1.17 -1.46 0.00 0.00 175.22 173.45 2kc1 s LEU 51 N 1.54 3.65 0.38 6.12 2.96 0.58 -1.34 118.68 132.57 2kc1 s LEU 51 Ca 0.03 0.75 -0.26 0.00 -0.22 0.00 0.00 54.13 54.43 2kc1 s LEU 51 Cb -0.18 -3.54 -0.09 0.00 0.50 0.00 0.00 46.19 42.88 2kc1 s LEU 51 CO 0.04 -1.31 1.20 -0.44 -1.32 0.00 0.00 176.35 174.53 2kc1 s SER 52 N 3.17 6.58 0.34 3.68 0.01 -1.19 -2.23 113.70 124.06 2kc1 s SER 52 Ca 0.55 2.43 0.06 0.00 1.31 0.00 0.00 55.95 60.30 2kc1 s SER 52 Cb -0.11 -2.62 -0.07 0.00 0.21 0.00 0.00 66.02 63.42 2kc1 s SER 52 CO 0.30 -0.64 0.00 -0.62 0.41 0.00 0.00 173.24 172.70 2kc1 s ASP 53 N -0.97 3.07 0.47 2.44 -1.08 -1.26 -4.93 116.67 114.40 2kc1 s ASP 53 Ca 0.55 -1.32 0.17 0.00 -0.52 0.00 0.00 52.55 51.43 2kc1 s ASP 53 Cb -0.33 -0.23 1.15 0.00 -1.46 0.00 0.00 42.92 42.05 2kc1 s ASP 53 CO 0.42 -0.46 2.00 -0.78 0.52 0.00 0.00 175.17 176.87 2kc1 h ASP 54 N 2.03 0.23 -3.47 -0.34 3.58 -1.96 -3.39 116.42 113.10 2kc1 h ASP 54 Ca -0.42 0.01 -0.67 0.00 0.42 0.00 0.00 57.03 56.37 2kc1 h ASP 54 Cb 1.24 -0.04 -0.27 0.00 1.72 0.00 0.00 39.33 41.98 2kc1 h ASP 54 CO 0.73 0.14 -0.78 -0.62 -2.88 0.00 0.00 179.24 175.83 2kc1 s ASP 55 N -6.34 3.91 0.53 2.28 -1.08 -1.26 -5.02 116.67 109.69 2kc1 s ASP 55 Ca -0.07 -0.33 0.19 0.00 -0.52 0.00 0.00 52.55 51.83 2kc1 s ASP 55 Cb 0.19 -1.43 1.33 0.00 -1.46 0.00 0.00 42.92 41.55 2kc1 s ASP 55 CO 0.74 0.20 2.10 1.55 0.52 0.00 0.00 175.17 180.28 2kc1 h PRO 56 N 6.44 0.00 0.00 4.34 0.13 -1.98 -1.26 132.00 139.66 2kc1 h PRO 56 Ca -0.29 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.76 2kc1 h PRO 56 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 2kc1 h PRO 56 CO 0.54 0.00 -0.40 -0.22 -0.23 0.00 0.00 178.00 177.69 2kc1 h LYS 57 N 0.00 0.00 -0.01 0.86 3.64 -1.95 -2.61 116.57 116.50 2kc1 h LYS 57 Ca 0.08 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 2kc1 h LYS 57 Cb 0.32 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 2kc1 h LYS 57 CO -0.00 0.40 -0.01 1.63 -2.27 0.00 0.00 179.45 179.20 2kc1 n LYS 58 N -3.27 1.40 -2.21 1.90 4.01 -0.49 -4.84 118.16 114.66 2kc1 n LYS 58 Ca 0.02 -0.62 -0.42 0.00 -0.51 0.00 0.00 58.31 56.78 2kc1 n LYS 58 Cb 0.64 -1.49 -0.03 0.00 -0.51 0.00 0.00 35.03 33.65 2kc1 n LYS 58 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 2kc1 s GLY 59 N -2.03 2.25 0.19 0.72 0.00 -0.99 -4.69 107.32 102.76 2kc1 s GLY 59 Ca 0.41 1.10 0.08 0.00 0.00 0.00 0.00 44.72 46.31 2kc1 s GLY 59 CO 0.36 2.19 -0.17 -0.26 0.00 0.00 0.00 173.10 175.21 2kc1 s ILE 60 N 0.59 1.83 -0.07 0.90 -4.36 -0.95 -4.94 121.20 114.20 2kc1 s ILE 60 Ca 0.60 -2.05 -0.24 0.00 -0.26 0.00 0.00 60.65 58.71 2kc1 s ILE 60 Cb -0.36 -1.94 -0.03 0.00 1.25 0.00 0.00 42.46 41.38 2kc1 s ILE 60 CO 0.34 -0.42 0.72 0.26 0.24 0.00 0.00 174.94 176.08 2kc1 s TRP 61 N -2.40 3.56 0.35 1.37 0.52 -1.26 -0.31 118.94 120.77 2kc1 s TRP 61 Ca 0.19 1.26 -0.26 0.00 0.02 0.00 0.00 56.10 57.31 2kc1 s TRP 61 Cb -0.04 -2.84 -0.09 0.00 -1.15 0.00 0.00 33.47 29.35 2kc1 s TRP 61 CO 0.07 0.05 1.07 -0.51 0.02 0.00 0.00 176.95 177.66 2kc1 s LEU 62 N 0.94 4.32 0.15 2.99 1.02 -1.05 -4.96 118.68 122.10 2kc1 s LEU 62 Ca 0.38 2.15 -0.29 0.00 0.02 0.00 0.00 54.13 56.39 2kc1 s LEU 62 Cb -0.18 -3.93 -0.07 0.00 0.02 0.00 0.00 46.19 42.03 2kc1 s LEU 62 CO 0.18 -0.35 0.93 -1.61 0.02 0.00 0.00 176.35 175.53 2kc1 s GLU 63 N -2.02 4.74 0.23 1.70 2.02 -1.26 -4.84 118.70 119.27 2kc1 s GLU 63 Ca 0.52 1.43 -0.06 0.00 0.02 0.00 0.00 54.97 56.88 2kc1 s GLU 63 Cb -0.27 -3.34 0.36 0.00 0.10 0.00 0.00 34.13 30.99 2kc1 s GLU 63 CO 0.34 0.34 1.79 0.00 0.02 0.00 0.00 175.26 177.75 2kc1 h ALA 64 N 5.03 1.06 0.00 5.21 0.00 -1.95 -1.66 119.26 126.95 2kc1 h ALA 64 Ca -0.44 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2kc1 h ALA 64 Cb 1.21 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2kc1 h ALA 64 CO 0.70 0.01 0.00 0.41 0.00 0.00 0.00 179.25 180.37 2kc1 n GLY 65 N -1.31 -0.93 3.96 0.00 0.00 -1.26 -3.18 105.19 102.47 2kc1 n GLY 65 Ca 0.12 -0.13 -0.22 0.00 0.00 0.00 0.00 46.02 45.79 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 3.45 0.36 1.61 -0.14 -0.62 -4.95 119.74 117.45 2kc1 s LYS 66 Ca 0.32 -0.67 0.05 0.00 -1.36 0.00 0.00 55.97 54.30 2kc1 s LYS 66 Cb 0.15 -2.87 -0.01 0.00 -1.68 0.00 0.00 37.83 33.42 2kc1 s LYS 66 CO 0.25 0.40 0.52 0.00 -0.76 0.00 0.00 175.35 175.75 2kc1 s ALA 67 N -2.00 4.07 0.12 5.17 0.00 -1.26 -0.22 121.76 127.63 2kc1 s ALA 67 Ca 0.35 -1.32 -0.15 0.00 0.00 0.00 0.00 51.96 50.85 2kc1 s ALA 67 Cb -0.09 -1.82 -0.04 0.00 0.00 0.00 0.00 23.12 21.17 2kc1 s ALA 67 CO 0.30 -0.11 1.52 -0.07 0.00 0.00 0.00 175.76 177.41 2kc1 h LEU 68 N 0.77 0.72 -1.75 0.00 3.38 -0.95 -2.75 115.31 114.74 2kc1 h LEU 68 Ca -0.46 -0.36 -0.02 0.00 0.09 0.00 0.00 57.88 57.12 2kc1 h LEU 68 Cb 1.25 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.80 2kc1 h LEU 68 CO 0.55 0.92 -0.10 -0.78 0.09 0.00 0.00 178.44 179.11 2kc1 h ASP 69 N 0.52 0.00 -0.59 -0.43 3.58 -1.69 -1.68 116.42 116.13 2kc1 h ASP 69 Ca 0.10 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.53 2kc1 h ASP 69 Cb 0.60 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.62 2kc1 h ASP 69 CO 0.04 0.10 0.33 0.22 -2.88 0.00 0.00 179.24 177.05 2kc1 h TYR 70 N 0.00 0.81 -0.32 0.28 3.20 -1.75 0.40 116.97 119.60 2kc1 h TYR 70 Ca -0.00 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.86 2kc1 h TYR 70 Cb 0.43 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.44 2kc1 h TYR 70 CO 0.00 0.57 0.00 0.66 -1.64 0.00 0.00 178.16 177.75 2kc1 n TYR 71 N -4.39 0.42 -2.35 -3.82 4.01 -0.68 -4.90 117.16 105.45 2kc1 n TYR 71 Ca 0.06 -0.21 -0.20 0.00 -0.16 0.00 0.00 57.90 57.38 2kc1 n TYR 71 Cb 0.10 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.11 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 0.50 -1.62 -2.00 -0.72 2.81 0.13 -4.94 117.12 111.27 2kc1 n MET 72 Ca 0.13 1.00 -0.42 0.00 -1.81 0.00 0.00 57.70 56.60 2kc1 n MET 72 Cb 0.31 -5.62 -0.03 0.00 -0.71 0.00 0.00 33.22 27.17 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 -5.82 4.38 0.00 4.03 1.43 -0.90 -4.99 118.68 116.80 2kc1 s LEU 73 Ca 0.00 2.63 0.08 0.00 -1.03 0.00 0.00 54.13 55.80 2kc1 s LEU 73 Cb 0.00 -3.61 -0.03 0.00 0.03 0.00 0.00 46.19 42.58 2kc1 s LEU 73 CO 0.00 -0.73 0.28 0.54 0.23 0.00 0.00 176.35 176.67 2kc1 n ARG 74 N 2.91 0.42 -2.01 1.70 1.74 -1.26 -4.64 116.66 115.51 2kc1 n ARG 74 Ca 0.09 -3.34 -0.42 0.00 -0.77 0.00 0.00 57.85 53.41 2kc1 n ARG 74 Cb 0.40 2.70 -0.03 0.00 -1.02 0.00 0.00 32.46 34.51 2kc1 n ARG 74 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 2kc1 s ASN 75 N -3.34 6.67 0.00 0.55 0.01 -1.26 -2.44 114.94 115.14 2kc1 s ASN 75 Ca 0.39 2.27 0.00 0.00 -0.71 0.00 0.00 52.86 54.81 2kc1 s ASN 75 Cb 0.02 -2.54 0.00 0.00 0.41 0.00 0.00 41.25 39.14 2kc1 s ASN 75 CO 0.28 -0.90 0.00 0.61 -1.51 0.00 0.00 177.10 175.57 2kc1 n GLY 76 N 4.07 1.14 3.74 0.66 0.00 0.15 -4.93 105.19 110.02 2kc1 n GLY 76 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.95 4.06 -0.11 1.61 1.01 -1.02 -4.71 116.67 115.56 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 -2.45 0.02 0.00 1.01 0.00 0.00 42.92 41.51 2kc1 s ASP 77 CO 0.00 -2.31 -0.07 -0.89 0.21 0.00 0.00 175.17 172.11 2kc1 s THR 78 N -2.88 0.97 -0.02 -1.27 2.01 -1.26 0.76 115.64 113.96 2kc1 s THR 78 Ca 0.62 -0.26 0.04 0.00 0.31 0.00 0.00 61.69 62.41 2kc1 s THR 78 Cb -0.18 -1.00 -0.01 0.00 0.01 0.00 0.00 72.50 71.32 2kc1 s THR 78 CO 0.57 0.36 -0.15 -0.04 -0.69 0.00 0.00 174.62 174.66 2kc1 s MET 79 N 1.70 1.33 -0.56 4.92 -1.94 0.30 -3.18 119.30 121.86 2kc1 s MET 79 Ca 0.04 -0.53 -0.20 0.00 -1.71 0.00 0.00 55.69 53.29 2kc1 s MET 79 Cb -0.13 -1.25 0.07 0.00 2.01 0.00 0.00 34.83 35.54 2kc1 s MET 79 CO -0.08 0.28 0.76 -1.21 -0.01 0.00 0.00 175.02 174.77 2kc1 s GLU 80 N -0.20 3.13 -0.59 2.03 2.02 -0.45 -0.28 118.70 124.37 2kc1 s GLU 80 Ca 0.03 -0.89 -0.28 0.00 0.02 0.00 0.00 54.97 53.85 2kc1 s GLU 80 Cb -0.08 -4.16 0.01 0.00 0.10 0.00 0.00 34.13 30.01 2kc1 s GLU 80 CO 0.00 -1.46 1.42 -0.47 0.02 0.00 0.00 175.26 174.77 2kc1 s TYR 81 N 3.13 2.25 0.12 1.61 5.04 -0.08 -1.47 117.35 127.95 2kc1 s TYR 81 Ca 0.18 0.42 -0.01 0.00 -2.44 0.00 0.00 57.07 55.22 2kc1 s TYR 81 Cb -0.19 -4.41 -0.04 0.00 0.35 0.00 0.00 41.96 37.67 2kc1 s TYR 81 CO 0.11 -2.01 0.03 -0.98 -1.34 0.00 0.00 175.55 171.37 2kc1 s ARG 82 N 5.64 0.90 -0.20 4.97 1.70 -0.63 -2.66 118.95 128.66 2kc1 s ARG 82 Ca 0.51 -1.42 -0.29 0.00 -0.47 0.00 0.00 55.73 54.06 2kc1 s ARG 82 Cb -0.10 0.17 0.00 0.00 -0.57 0.00 0.00 34.95 34.44 2kc1 s ARG 82 CO 0.23 -0.22 1.12 0.21 -1.08 0.00 0.00 175.30 175.56 2kc1 s LYS 83 N -4.01 4.25 0.11 3.89 2.36 -1.26 -0.28 119.74 124.80 2kc1 s LYS 83 Ca 0.21 1.47 -0.31 0.00 -2.55 0.00 0.00 55.97 54.80 2kc1 s LYS 83 Cb 0.07 -3.68 -0.08 0.00 -1.05 0.00 0.00 37.83 33.09 2kc1 s LYS 83 CO 0.00 -0.65 1.53 0.15 1.55 0.00 0.00 175.35 177.93 2kc1 s LYS 84 N 3.28 4.24 0.00 4.03 1.02 0.13 -4.93 119.74 127.52 2kc1 s LYS 84 Ca 0.48 2.24 0.03 0.00 0.02 0.00 0.00 55.97 58.74 2kc1 s LYS 84 Cb -0.18 -3.35 0.18 0.00 -0.52 0.00 0.00 37.83 33.96 2kc1 s LYS 84 CO 0.09 -0.60 0.66 0.94 -0.92 0.00 0.00 175.35 175.53