#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knm s VAL 4 N 0.00 5.24 0.39 3.15 0.11 -1.26 -4.45 120.40 123.58 3knm s VAL 4 Ca 0.00 0.61 -0.27 0.00 -2.93 0.00 0.00 61.98 59.38 3knm s VAL 4 Cb 0.00 -3.63 -0.10 0.00 -1.53 0.00 0.00 36.38 31.12 3knm s VAL 4 CO 0.00 0.49 1.44 0.00 -3.33 0.00 0.00 175.10 173.70 3knm h GLU 6 N 2.84 0.68 0.06 0.00 5.08 -0.72 -1.89 114.58 120.62 3knm h GLU 6 Ca -0.51 -0.63 -0.00 0.00 -1.00 0.00 0.00 59.36 57.22 3knm h GLU 6 Cb 1.25 0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.65 3knm h GLU 6 CO 0.63 1.23 -0.03 0.82 -1.00 0.00 0.00 179.01 180.67 3knm h ILE 7 N 0.43 0.00 0.00 3.13 1.08 -1.92 -3.40 117.51 116.83 3knm h ILE 7 Ca -0.08 -0.19 -0.07 0.00 -0.39 0.00 0.00 64.86 64.13 3knm h ILE 7 Cb 1.52 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 35.26 3knm h ILE 7 CO 0.17 0.00 -0.35 0.77 -0.69 0.00 0.00 178.15 178.06 3knm h SER 8 N -0.26 0.00 0.00 1.72 4.64 -1.96 -3.47 113.55 114.22 3knm h SER 8 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3knm h SER 8 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 3knm h SER 8 CO 0.01 0.35 0.00 0.61 -0.87 0.00 0.00 176.83 176.93 3knm n GLY 9 N 1.18 0.75 3.70 -0.77 0.00 -0.71 -4.94 105.19 104.40 3knm n GLY 9 Ca 0.03 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.52 3knm n GLY 9 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3knm n LYS 10 N -2.50 1.69 -4.30 1.61 4.81 -1.26 -4.50 118.16 113.71 3knm n LYS 10 Ca 0.00 0.62 -0.16 0.00 -0.87 0.00 0.00 58.31 57.90 3knm n LYS 10 Cb 0.00 -2.39 -0.10 0.00 0.02 0.00 0.00 35.03 32.56 3knm n LYS 10 CO 0.00 0.00 0.00 -0.98 1.17 0.00 0.00 177.40 177.59 3knm s ARG 11 N 3.86 1.21 0.12 1.64 1.70 -1.26 -1.31 118.95 124.90 3knm s ARG 11 Ca 0.96 -1.56 -0.35 0.00 -0.47 0.00 0.00 55.73 54.31 3knm s ARG 11 Cb -0.88 -0.72 -0.15 0.00 -0.57 0.00 0.00 34.95 32.63 3knm s ARG 11 CO 0.59 0.04 1.44 -0.35 -1.08 0.00 0.00 175.30 175.94 3knm n PRO 12 N -0.31 1.58 -4.31 3.89 -0.04 -1.26 -4.69 135.00 129.86 3knm n PRO 12 Ca -0.08 0.57 -0.24 0.00 -0.04 0.00 0.00 63.50 63.71 3knm n PRO 12 Cb 0.62 -2.27 -0.08 0.00 -0.04 0.00 0.00 33.50 31.73 3knm n PRO 12 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 3knm s ILE 13 N 0.68 2.76 -0.19 0.52 -4.36 -0.05 -4.91 121.20 115.66 3knm s ILE 13 Ca 0.82 -1.95 -0.06 0.00 -0.26 0.00 0.00 60.65 59.20 3knm s ILE 13 Cb -0.84 -2.80 -0.03 0.00 1.25 0.00 0.00 42.46 40.04 3knm s ILE 13 CO 0.43 -0.23 0.03 -0.69 0.24 0.00 0.00 174.94 174.72 3knm s VAL 14 N -2.49 4.35 0.42 8.37 1.01 -1.26 0.37 120.40 131.17 3knm s VAL 14 Ca 0.34 -0.19 0.05 0.00 0.00 0.00 0.00 61.98 62.18 3knm s VAL 14 Cb -0.01 -2.96 -0.05 0.00 0.00 0.00 0.00 36.38 33.36 3knm s VAL 14 CO 0.20 0.44 0.03 0.00 0.00 0.00 0.00 175.10 175.77 3knm s ALA 15 N 0.66 3.27 0.37 5.51 0.00 0.60 -4.95 121.76 127.22 3knm s ALA 15 Ca 0.01 -1.63 0.08 0.00 0.00 0.00 0.00 51.96 50.42 3knm s ALA 15 Cb -0.14 0.27 -0.02 0.00 0.00 0.00 0.00 23.12 23.23 3knm s ALA 15 CO 0.02 -0.14 0.34 -0.80 0.00 0.00 0.00 175.76 175.18 3knm s ASN 16 N -3.71 5.24 -0.28 0.00 0.01 -1.26 -1.33 114.94 113.62 3knm s ASN 16 Ca 0.26 -0.57 -0.00 0.00 -0.71 0.00 0.00 52.86 51.84 3knm s ASN 16 Cb 0.07 -0.82 0.05 0.00 0.41 0.00 0.00 41.25 40.96 3knm s ASN 16 CO 0.13 -0.49 -0.05 -0.55 -1.51 0.00 0.00 177.10 174.63 3knm s SER 17 N -4.07 4.62 -0.40 -1.22 0.15 0.34 -4.82 113.70 108.31 3knm s SER 17 Ca 0.44 -1.24 -0.15 0.00 0.70 0.00 0.00 55.95 55.70 3knm s SER 17 Cb -0.05 -1.65 0.02 0.00 -1.71 0.00 0.00 66.02 62.63 3knm s SER 17 CO 0.28 -0.21 0.29 -0.63 1.20 0.00 0.00 173.24 174.16 3knm s ILE 18 N 1.21 5.25 -0.37 6.45 1.09 -1.26 -1.07 121.20 132.50 3knm s ILE 18 Ca -0.06 -0.62 -0.18 0.00 -1.10 0.00 0.00 60.65 58.69 3knm s ILE 18 Cb -0.19 -3.90 0.00 0.00 -1.06 0.00 0.00 42.46 37.31 3knm s ILE 18 CO -0.03 -0.28 0.51 -1.10 -0.10 0.00 0.00 174.94 173.94 3knm s GLN 19 N 1.68 3.49 0.17 2.79 -1.52 -0.67 -5.01 119.66 120.59 3knm s GLN 19 Ca 0.05 -0.29 0.09 0.00 -1.95 0.00 0.00 55.36 53.26 3knm s GLN 19 Cb -0.19 -3.85 -0.04 0.00 -0.22 0.00 0.00 33.01 28.71 3knm s GLN 19 CO 0.10 -0.72 -0.13 1.03 -0.25 0.00 0.00 175.29 175.32 3knm s ARG 20 N 2.40 1.95 0.13 2.91 0.52 -1.26 0.11 118.95 125.71 3knm s ARG 20 Ca 0.18 -1.28 0.04 0.00 -0.52 0.00 0.00 55.73 54.15 3knm s ARG 20 Cb -0.16 -2.12 -0.04 0.00 0.52 0.00 0.00 34.95 33.15 3knm s ARG 20 CO 0.14 0.44 -0.10 1.03 0.02 0.00 0.00 175.30 176.83 3knm s ARG 21 N -2.68 0.99 0.00 3.54 1.81 -0.39 -4.86 118.95 117.36 3knm s ARG 21 Ca 0.23 -1.38 0.00 0.00 -1.72 0.00 0.00 55.73 52.86 3knm s ARG 21 Cb -0.09 -0.56 0.00 0.00 -0.45 0.00 0.00 34.95 33.85 3knm s ARG 21 CO 0.14 0.07 0.00 0.41 -0.68 0.00 0.00 175.30 175.23 3knm n GLY 22 N -0.03 1.50 3.74 -3.53 0.00 -1.26 -0.67 105.19 104.95 3knm n GLY 22 Ca -0.12 -1.94 -0.37 0.00 0.00 0.00 0.00 46.02 43.60 3knm n GLY 22 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3knm s LYS 23 N -2.38 4.21 0.51 1.61 2.20 -1.20 -4.79 119.74 119.90 3knm s LYS 23 Ca 0.00 0.18 -0.22 0.00 -0.36 0.00 0.00 55.97 55.57 3knm s LYS 23 Cb 0.00 -3.40 -0.07 0.00 -1.51 0.00 0.00 37.83 32.85 3knm s LYS 23 CO 0.00 0.29 1.17 0.00 -0.36 0.00 0.00 175.35 176.45 3knm n ALA 24 N 3.37 0.90 -0.32 3.13 0.00 -1.26 -2.57 120.51 123.75 3knm n ALA 24 Ca -0.11 0.14 -0.02 0.00 0.00 0.00 0.00 53.44 53.45 3knm n ALA 24 Cb 0.52 -2.22 0.15 0.00 0.00 0.00 0.00 19.45 17.89 3knm n ALA 24 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3knm h LYS 25 N 1.34 1.21 0.00 0.00 1.63 -1.86 0.13 116.57 119.02 3knm h LYS 25 Ca -0.48 -0.09 0.00 0.00 -0.85 0.00 0.00 60.65 59.23 3knm h LYS 25 Cb 1.32 -0.26 0.00 0.00 -0.60 0.00 0.00 32.23 32.69 3knm h LYS 25 CO 0.56 0.82 0.10 0.07 -3.45 0.00 0.00 179.45 177.55 3knm h ARG 26 N 1.24 0.00 -0.01 1.90 0.11 -1.89 0.62 114.38 116.34 3knm h ARG 26 Ca 0.33 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.41 3knm h ARG 26 Cb -0.10 0.00 0.00 0.00 1.11 0.00 0.00 29.97 30.98 3knm h ARG 26 CO -0.07 0.00 -0.37 0.39 0.10 0.00 0.00 179.97 180.03 3knm n GLU 27 N -2.83 1.71 0.00 0.08 1.02 -0.08 -4.97 120.64 115.57 3knm n GLU 27 Ca -0.02 -0.73 0.00 0.00 -0.02 0.00 0.00 57.16 56.38 3knm n GLU 27 Cb 0.15 -1.27 0.00 0.00 -0.02 0.00 0.00 31.44 30.31 3knm n GLU 27 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3knm n GLY 28 N 1.16 0.91 3.91 0.62 0.00 0.22 -4.97 105.19 107.04 3knm n GLY 28 Ca 0.06 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.81 3knm n GLY 28 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3knm s GLY 29 N -1.74 1.57 0.60 -0.02 0.00 0.24 -4.92 107.32 103.05 3knm s GLY 29 Ca 0.00 -0.55 0.30 0.00 0.00 0.00 0.00 44.72 44.48 3knm s GLY 29 CO 0.00 -0.31 1.92 -0.39 0.00 0.00 0.00 173.10 174.32 3knm h VAL 30 N -0.05 0.00 0.00 1.40 -1.51 -1.85 -3.28 116.25 110.95 3knm h VAL 30 Ca -0.46 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.01 3knm h VAL 30 Cb 1.23 0.68 0.00 0.00 -2.13 0.00 0.00 31.29 31.06 3knm h VAL 30 CO 0.61 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 177.56 3knm n GLY 31 N -1.20 0.91 3.96 5.19 0.00 -1.06 -4.86 105.19 108.13 3knm n GLY 31 Ca -0.02 -2.09 -0.20 0.00 0.00 0.00 0.00 46.02 43.71 3knm n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3knm s LYS 32 N -1.04 3.07 -0.12 1.61 -0.14 -1.26 -3.27 119.74 118.59 3knm s LYS 32 Ca 0.00 -1.04 -0.05 0.00 -1.36 0.00 0.00 55.97 53.51 3knm s LYS 32 Cb 0.00 -2.76 0.06 0.00 -1.68 0.00 0.00 37.83 33.45 3knm s LYS 32 CO 0.00 0.10 0.27 0.15 -0.76 0.00 0.00 175.35 175.12 3knm s LYS 33 N -4.12 0.20 -0.49 1.68 -0.14 0.16 -4.95 119.74 112.07 3knm s LYS 33 Ca 0.43 0.67 -0.28 0.00 -1.36 0.00 0.00 55.97 55.43 3knm s LYS 33 Cb -0.09 -0.06 0.00 0.00 -1.68 0.00 0.00 37.83 36.01 3knm s LYS 33 CO 0.30 -0.22 1.55 0.99 -0.76 0.00 0.00 175.35 177.21 3knm s THR 34 N 1.84 3.70 -0.93 2.17 2.01 -1.26 -1.27 115.64 121.90 3knm s THR 34 Ca -0.04 0.63 0.26 0.00 0.31 0.00 0.00 61.69 62.85 3knm s THR 34 Cb -0.11 -4.16 0.24 0.00 0.01 0.00 0.00 72.50 68.47 3knm s THR 34 CO -0.09 -0.89 1.84 1.07 -0.69 0.00 0.00 174.62 175.86 3knm n THR 35 N 7.07 0.27 0.00 -0.82 5.66 0.29 -4.84 114.28 121.91 3knm n THR 35 Ca 0.17 -0.02 0.00 0.00 -3.05 0.00 0.00 64.05 61.15 3knm n THR 35 Cb 0.49 -0.60 0.00 0.00 -1.55 0.00 0.00 70.33 68.67 3knm n THR 35 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3knm n GLY 36 N 1.22 1.33 3.89 1.09 0.00 -1.12 -4.97 105.19 106.63 3knm n GLY 36 Ca 0.06 0.50 -0.30 0.00 0.00 0.00 0.00 46.02 46.27 3knm n GLY 36 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3knm s ILE 37 N 0.00 4.97 0.04 -0.61 1.01 -1.26 -1.67 121.20 123.68 3knm s ILE 37 Ca 0.00 0.29 -0.15 0.00 0.00 0.00 0.00 60.65 60.79 3knm s ILE 37 Cb 0.00 -3.67 0.02 0.00 0.01 0.00 0.00 42.46 38.82 3knm s ILE 37 CO 0.00 -0.20 0.33 -0.55 0.00 0.00 0.00 174.94 174.53 3knm s SER 38 N -2.75 -0.17 0.09 3.58 0.15 -0.23 -4.90 113.70 109.47 3knm s SER 38 Ca 0.46 -0.12 -0.12 0.00 0.70 0.00 0.00 55.95 56.86 3knm s SER 38 Cb -0.11 0.37 -0.06 0.00 -1.71 0.00 0.00 66.02 64.51 3knm s SER 38 CO 0.26 -0.62 0.46 -0.75 1.20 0.00 0.00 173.24 173.78 3knm s LYS 39 N -2.45 3.87 0.06 5.44 2.47 -1.26 0.13 119.74 128.00 3knm s LYS 39 Ca -0.06 0.33 -0.26 0.00 -1.56 0.00 0.00 55.97 54.43 3knm s LYS 39 Cb -0.01 -3.02 0.08 0.00 -1.46 0.00 0.00 37.83 33.42 3knm s LYS 39 CO -0.03 0.56 0.71 -0.98 0.16 0.00 0.00 175.35 175.77 3knm s ARG 40 N -1.77 1.08 0.04 4.03 1.04 -0.44 -4.79 118.95 118.14 3knm s ARG 40 Ca 0.33 -0.28 0.06 0.00 -1.04 0.00 0.00 55.73 54.80 3knm s ARG 40 Cb -0.15 0.50 -0.03 0.00 -2.04 0.00 0.00 34.95 33.23 3knm s ARG 40 CO 0.18 -0.45 -0.14 1.03 -0.04 0.00 0.00 175.30 175.87 3knm s ARG 41 N -3.05 2.18 -0.23 3.89 0.52 -1.26 -0.29 118.95 120.70 3knm s ARG 41 Ca 0.00 -0.93 -0.06 0.00 -0.52 0.00 0.00 55.73 54.22 3knm s ARG 41 Cb -0.01 -2.27 -0.02 0.00 0.52 0.00 0.00 34.95 33.17 3knm s ARG 41 CO -0.08 0.55 0.01 -0.65 0.02 0.00 0.00 175.30 175.15 3knm s GLN 42 N -1.55 3.51 -0.06 3.54 -0.21 0.16 -4.90 119.66 120.15 3knm s GLN 42 Ca 0.16 -0.55 -0.12 0.00 0.02 0.00 0.00 55.36 54.87 3knm s GLN 42 Cb -0.11 -3.16 -0.05 0.00 1.00 0.00 0.00 33.01 30.69 3knm s GLN 42 CO 0.07 -0.19 0.31 0.71 -2.12 0.00 0.00 175.29 174.07 3knm s TYR 43 N 1.54 3.66 0.07 0.91 4.12 -1.26 -0.87 117.35 125.51 3knm s TYR 43 Ca 0.06 0.80 -0.31 0.00 0.02 0.00 0.00 57.07 57.64 3knm s TYR 43 Cb -0.15 -2.19 -0.08 0.00 -1.52 0.00 0.00 41.96 38.03 3knm s TYR 43 CO 0.00 0.62 1.60 -2.14 0.02 0.00 0.00 175.55 175.65 3knm s PRO 44 N -0.87 4.22 -0.95 -1.71 0.02 -1.26 -4.86 135.00 129.59 3knm s PRO 44 Ca 0.20 2.27 -0.25 0.00 0.02 0.00 0.00 61.00 63.24 3knm s PRO 44 Cb -0.15 -3.55 -0.10 0.00 0.02 0.00 0.00 34.50 30.72 3knm s PRO 44 CO 0.09 -0.69 2.09 1.21 -0.33 0.00 0.00 177.00 179.37 3knm s ASN 45 N 2.18 4.57 0.10 2.53 3.04 -1.26 -4.90 114.94 121.21 3knm s ASN 45 Ca 0.72 -0.70 0.06 0.00 0.04 0.00 0.00 52.86 52.97 3knm s ASN 45 Cb -0.39 -2.57 -0.04 0.00 -1.54 0.00 0.00 41.25 36.72 3knm s ASN 45 CO 0.31 -3.36 -0.03 -1.48 -3.04 0.00 0.00 177.10 169.50 3knm s LEU 46 N 12.39 3.34 0.00 3.21 2.34 -1.26 0.11 118.68 138.80 3knm s LEU 46 Ca 0.77 -0.24 0.00 0.00 0.06 0.00 0.00 54.13 54.72 3knm s LEU 46 Cb -0.07 -2.09 0.00 0.00 -0.56 0.00 0.00 46.19 43.47 3knm s LEU 46 CO 0.06 0.17 0.00 0.00 -1.06 0.00 0.00 176.35 175.53 3knm n GLN 47 N 0.59 0.32 -3.70 1.48 1.13 -1.10 -4.85 117.38 111.26 3knm n GLN 47 Ca -0.11 0.00 -0.36 0.00 -1.94 0.00 0.00 57.00 54.58 3knm n GLN 47 Cb 0.52 0.00 -0.10 0.00 0.11 0.00 0.00 30.24 30.77 3knm n GLN 47 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 3knm s LYS 48 N -1.66 4.05 -0.25 -1.09 3.01 -1.26 -3.21 119.74 119.33 3knm s LYS 48 Ca 0.00 -0.28 0.03 0.00 -1.01 0.00 0.00 55.97 54.70 3knm s LYS 48 Cb 0.00 -3.50 0.06 0.00 -1.01 0.00 0.00 37.83 33.38 3knm s LYS 48 CO 0.00 0.07 -0.12 0.08 0.51 0.00 0.00 175.35 175.89 3knm s VAL 49 N 1.01 2.16 -0.21 3.17 1.01 -0.91 -4.94 120.40 121.69 3knm s VAL 49 Ca 0.07 -1.56 -0.08 0.00 0.00 0.00 0.00 61.98 60.42 3knm s VAL 49 Cb -0.13 -2.23 -0.04 0.00 0.00 0.00 0.00 36.38 33.98 3knm s VAL 49 CO 0.04 0.04 0.08 -0.60 0.00 0.00 0.00 175.10 174.66 3knm s ARG 50 N 1.12 3.89 -0.14 2.72 3.52 -1.26 -0.47 118.95 128.33 3knm s ARG 50 Ca -0.07 -0.37 -0.06 0.00 -0.13 0.00 0.00 55.73 55.09 3knm s ARG 50 Cb -0.19 -3.29 0.07 0.00 -1.56 0.00 0.00 34.95 29.97 3knm s ARG 50 CO -0.06 0.11 0.31 0.54 -0.81 0.00 0.00 175.30 175.39 3knm s VAL 51 N 0.84 -0.35 0.00 7.11 0.11 -1.18 -5.05 120.40 121.88 3knm s VAL 51 Ca 0.04 0.21 0.00 0.00 -2.93 0.00 0.00 61.98 59.30 3knm s VAL 51 Cb -0.13 -0.50 0.00 0.00 -1.53 0.00 0.00 36.38 34.22 3knm s VAL 51 CO 0.02 0.09 0.21 -2.11 -3.33 0.00 0.00 175.10 169.99 3knm n ARG 52 N 5.02 0.00 -1.95 1.54 -4.01 -1.25 -4.32 116.66 111.69 3knm n ARG 52 Ca -0.12 0.21 0.00 0.00 -1.04 0.00 0.00 57.85 56.90 3knm n ARG 52 Cb 0.51 -0.69 0.00 0.00 -3.04 0.00 0.00 32.46 29.24 3knm n ARG 52 CO 0.00 0.00 0.00 0.28 -3.04 0.00 0.00 177.63 174.87 3knm n VAL 53 N -0.44 -6.56 0.00 8.89 0.31 -1.26 -3.82 118.33 115.45 3knm n VAL 53 Ca 0.00 2.81 0.00 0.00 -0.01 0.00 0.00 64.34 67.14 3knm n VAL 53 Cb 0.00 -3.72 0.00 0.00 -0.91 0.00 0.00 33.84 29.21 3knm n VAL 53 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3knm n ALA 54 N 0.66 0.00 0.00 3.52 0.00 -1.26 -2.88 120.51 120.55 3knm n ALA 54 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3knm n ALA 54 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3knm n ALA 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3knm n GLY 55 N 0.00 0.00 0.00 0.00 0.00 -1.26 -5.10 105.19 98.83 3knm n GLY 55 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3knm n GLY 55 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3knm n GLN 56 N -1.60 -0.49 -0.09 1.61 1.13 -1.14 -5.05 117.38 111.74 3knm n GLN 56 Ca 0.00 0.00 -0.19 0.00 -1.94 0.00 0.00 57.00 54.87 3knm n GLN 56 Cb 0.36 0.00 -0.06 0.00 0.11 0.00 0.00 30.24 30.65 3knm n GLN 56 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 3knm n GLU 57 N -1.24 0.42 -2.12 -1.09 2.13 -1.25 -4.16 120.64 113.33 3knm n GLU 57 Ca 0.00 0.18 -0.00 0.00 0.66 0.00 0.00 57.16 58.00 3knm n GLU 57 Cb 0.00 -1.21 -0.00 0.00 0.27 0.00 0.00 31.44 30.50 3knm n GLU 57 CO 0.00 0.00 0.00 1.51 -0.41 0.00 0.00 177.13 178.23 3knm n ILE 58 N -3.95 -4.20 -3.60 6.31 3.06 -1.26 -3.44 119.36 112.27 3knm n ILE 58 Ca -0.35 0.99 -0.21 0.00 -2.50 0.00 0.00 62.75 60.69 3knm n ILE 58 Cb 0.71 -2.94 -0.03 0.00 0.54 0.00 0.00 39.64 37.92 3knm n ILE 58 CO 0.00 0.00 0.00 0.42 -2.50 0.00 0.00 176.55 174.47 3knm s THR 59 N -0.19 2.93 -0.01 9.51 -4.23 -1.26 -3.12 115.64 119.28 3knm s THR 59 Ca -0.00 -1.33 0.02 0.00 -1.18 0.00 0.00 61.69 59.20 3knm s THR 59 Cb 0.00 -3.05 -0.00 0.00 1.34 0.00 0.00 72.50 70.78 3knm s THR 59 CO 0.00 -0.05 -0.06 -0.36 -0.54 0.00 0.00 174.62 173.61 3knm s PHE 60 N -2.42 0.57 -0.83 3.99 0.08 0.38 -4.94 117.98 114.81 3knm s PHE 60 Ca 0.46 -0.11 -0.09 0.00 0.12 0.00 0.00 56.93 57.32 3knm s PHE 60 Cb -0.04 -0.37 0.21 0.00 -0.57 0.00 0.00 43.02 42.25 3knm s PHE 60 CO 0.28 -0.02 0.73 1.03 -0.10 0.00 0.00 175.22 177.14 3knm s ARG 61 N -0.10 3.38 -0.02 0.44 0.52 -1.26 -2.14 118.95 119.77 3knm s ARG 61 Ca 0.02 -2.70 0.01 0.00 -0.52 0.00 0.00 55.73 52.53 3knm s ARG 61 Cb -0.03 -4.20 0.01 0.00 0.52 0.00 0.00 34.95 31.25 3knm s ARG 61 CO -0.00 -1.25 -0.03 0.54 0.02 0.00 0.00 175.30 174.58 3knm s VAL 62 N -0.32 0.36 0.30 3.52 0.11 -1.20 0.06 120.40 123.25 3knm s VAL 62 Ca 0.21 -0.09 -0.27 0.00 -2.93 0.00 0.00 61.98 58.90 3knm s VAL 62 Cb -0.12 -0.38 -0.14 0.00 -1.53 0.00 0.00 36.38 34.21 3knm s VAL 62 CO -0.08 0.16 0.89 0.00 -3.33 0.00 0.00 175.10 172.74 3knm n ALA 63 N 3.66 -0.70 -0.38 1.54 0.00 -1.26 -2.70 120.51 120.67 3knm n ALA 63 Ca -0.21 0.36 -0.02 0.00 0.00 0.00 0.00 53.44 53.57 3knm n ALA 63 Cb 0.53 -1.94 0.03 0.00 0.00 0.00 0.00 19.45 18.07 3knm n ALA 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3knm h ALA 64 N 1.68 0.11 -0.66 0.00 0.00 0.40 -1.70 119.26 119.10 3knm h ALA 64 Ca -0.38 0.27 0.06 0.00 0.00 0.00 0.00 54.91 54.85 3knm h ALA 64 Cb 1.36 1.03 -0.08 0.00 0.00 0.00 0.00 17.79 20.10 3knm h ALA 64 CO 0.59 -0.65 -0.39 -1.13 0.00 0.00 0.00 179.25 177.67 3knm n SER 65 N -5.46 -0.70 0.00 0.00 3.41 -1.26 0.43 113.62 110.04 3knm n SER 65 Ca 0.10 1.35 0.02 0.00 -0.26 0.00 0.00 58.87 60.07 3knm n SER 65 Cb 0.39 -0.24 0.10 0.00 -0.26 0.00 0.00 64.21 64.20 3knm n SER 65 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3knm n HIS 66 N -4.57 0.00 -0.23 7.33 -0.00 -0.65 -4.23 115.22 112.87 3knm n HIS 66 Ca 0.01 0.00 0.02 0.00 -0.00 0.00 0.00 57.72 57.75 3knm n HIS 66 Cb 0.17 0.00 0.11 0.00 -0.00 0.00 0.00 29.99 30.27 3knm n HIS 66 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.34 177.16 3knm h ILE 67 N 0.00 0.39 0.00 1.59 2.04 0.12 0.14 117.51 121.79 3knm h ILE 67 Ca 0.00 -0.02 -0.03 0.00 1.00 0.00 0.00 64.86 65.81 3knm h ILE 67 Cb 0.00 0.31 -0.00 0.00 -0.74 0.00 0.00 36.82 36.39 3knm h ILE 67 CO 0.00 0.01 -0.13 1.55 0.00 0.00 0.00 178.15 179.58 3knm h PRO 68 N 0.07 0.00 -0.15 2.37 0.13 -1.79 0.01 132.00 132.64 3knm h PRO 68 Ca 0.35 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 65.52 3knm h PRO 68 Cb 0.58 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.70 3knm h PRO 68 CO -0.62 0.13 0.20 -0.22 -0.23 0.00 0.00 178.00 177.26 3knm h LYS 69 N 0.00 0.00 -0.25 0.86 1.63 -1.01 0.52 116.57 118.32 3knm h LYS 69 Ca -0.00 0.00 -0.18 0.00 -0.85 0.00 0.00 60.65 59.62 3knm h LYS 69 Cb 0.27 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.90 3knm h LYS 69 CO 0.02 0.00 -0.55 0.28 -3.45 0.00 0.00 179.45 175.75 3knm h VAL 70 N 0.00 1.28 0.00 2.00 2.07 -0.95 -2.50 116.25 118.15 3knm h VAL 70 Ca 0.07 -1.74 0.00 0.00 0.82 0.00 0.00 66.70 65.85 3knm h VAL 70 Cb 0.47 1.72 0.00 0.00 -1.52 0.00 0.00 31.29 31.96 3knm h VAL 70 CO -0.00 0.56 0.00 -1.22 0.02 0.00 0.00 177.57 176.93 3knm n TYR 71 N -4.05 0.00 -0.12 1.57 4.02 0.18 -2.06 117.16 116.70 3knm n TYR 71 Ca -0.05 0.00 -0.22 0.00 -0.01 0.00 0.00 57.90 57.62 3knm n TYR 71 Cb 0.63 -0.03 -0.08 0.00 -0.02 0.00 0.00 39.34 39.84 3knm n TYR 71 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 3knm n GLU 72 N -0.27 0.57 -0.36 -0.72 1.02 -0.95 -3.93 120.64 116.00 3knm n GLU 72 Ca 0.00 0.26 0.02 0.00 -0.02 0.00 0.00 57.16 57.42 3knm n GLU 72 Cb 0.08 -1.48 0.16 0.00 -0.02 0.00 0.00 31.44 30.17 3knm n GLU 72 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3knm h LEU 73 N -1.00 1.02 -1.06 -4.62 3.38 -1.36 0.35 115.31 112.02 3knm h LEU 73 Ca -0.45 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.50 3knm h LEU 73 Cb 1.39 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.89 3knm h LEU 73 CO -0.27 0.66 0.37 0.58 0.09 0.00 0.00 178.44 179.87 3knm h VAL 74 N 1.17 1.23 0.24 1.22 2.07 -1.63 -2.15 116.25 118.39 3knm h VAL 74 Ca 0.41 -0.61 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 3knm h VAL 74 Cb 0.12 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.17 3knm h VAL 74 CO -0.16 0.26 -0.11 -0.08 0.02 0.00 0.00 177.57 177.50 3knm h GLU 75 N 1.03 -0.31 -1.75 1.57 4.57 -1.19 -3.15 114.58 115.35 3knm h GLU 75 Ca 0.26 0.02 -0.13 0.00 -1.18 0.00 0.00 59.36 58.33 3knm h GLU 75 Cb 0.08 0.07 -0.06 0.00 -0.16 0.00 0.00 28.75 28.68 3knm h GLU 75 CO -0.04 0.05 0.16 2.89 -1.18 0.00 0.00 179.01 180.89 3knm n ARG 76 N -5.00 1.32 -0.01 1.92 1.85 0.11 -2.59 116.66 114.25 3knm n ARG 76 Ca -0.08 -0.62 0.00 0.00 -1.00 0.00 0.00 57.85 56.15 3knm n ARG 76 Cb 0.25 -1.24 -0.02 0.00 -1.05 0.00 0.00 32.46 30.39 3knm n ARG 76 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3knm n ALA 77 N 0.98 2.04 1.10 2.89 0.00 -0.81 -4.54 120.51 122.16 3knm n ALA 77 Ca 0.12 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3knm n ALA 77 Cb 0.54 0.02 0.00 0.00 0.00 0.00 0.00 19.45 20.01 3knm n ALA 77 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3knm n LYS 78 N -1.82 0.65 -0.00 0.00 5.02 -1.07 -1.93 118.16 119.01 3knm n LYS 78 Ca -0.02 0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.32 3knm n LYS 78 Cb 0.30 -1.10 -0.07 0.00 -0.02 0.00 0.00 35.03 34.13 3knm n LYS 78 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3knm n GLY 79 N 0.16 -0.25 4.04 0.72 0.00 -1.26 -5.03 105.19 103.57 3knm n GLY 79 Ca 0.00 -0.31 -0.20 0.00 0.00 0.00 0.00 46.02 45.51 3knm n GLY 79 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3knm s LEU 80 N -3.02 3.00 -1.04 0.99 1.02 -0.81 -5.02 118.68 113.80 3knm s LEU 80 Ca 0.01 -0.93 -0.02 0.00 0.02 0.00 0.00 54.13 53.22 3knm s LEU 80 Cb 0.08 -1.45 0.32 0.00 0.02 0.00 0.00 46.19 45.15 3knm s LEU 80 CO 0.47 -1.43 1.72 1.17 0.02 0.00 0.00 176.35 178.31 3knm n LYS 81 N -2.30 5.16 -2.44 1.70 4.81 -1.26 -4.98 118.16 118.85 3knm n LYS 81 Ca 0.17 -4.64 -0.42 0.00 -0.87 0.00 0.00 58.31 52.54 3knm n LYS 81 Cb 0.62 -2.48 -0.02 0.00 0.02 0.00 0.00 35.03 33.17 3knm n LYS 81 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 3knm s LEU 82 N -3.91 3.44 0.00 3.14 2.01 -1.26 -4.94 118.68 117.16 3knm s LEU 82 Ca 0.37 0.31 0.00 0.00 0.01 0.00 0.00 54.13 54.82 3knm s LEU 82 Cb 0.15 -3.15 0.00 0.00 0.01 0.00 0.00 46.19 43.20 3knm s LEU 82 CO -0.06 -1.61 0.00 1.21 1.01 0.00 0.00 176.35 176.89 3knm n GLU 83 N 8.53 0.00 -0.95 1.70 4.07 -1.26 -4.84 120.64 127.89 3knm n GLU 83 Ca 0.12 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.22 3knm n GLU 83 Cb 0.49 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.87 3knm n GLU 83 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3knm n GLY 84 N 0.00 -4.21 2.43 8.31 0.00 -1.26 -4.34 105.19 106.12 3knm n GLY 84 Ca 0.00 -0.69 -0.00 0.00 0.00 0.00 0.00 46.02 45.33 3knm n GLY 84 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3knm n LEU 85 N 0.10 0.14 -3.37 0.99 0.00 -1.26 -4.47 117.00 109.12 3knm n LEU 85 Ca 0.00 -0.51 -0.33 0.00 0.00 0.00 0.00 56.01 55.17 3knm n LEU 85 Cb 0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 43.42 43.36 3knm n LEU 85 CO 0.00 -0.39 0.61 -1.54 0.00 0.00 0.00 177.39 176.07 3knm n SER 86 N 2.87 5.37 0.33 1.96 3.41 -1.26 -4.83 113.62 121.47 3knm n SER 86 Ca 0.01 -3.60 0.11 0.00 -0.26 0.00 0.00 58.87 55.13 3knm n SER 86 Cb 0.02 -0.84 0.58 0.00 -0.26 0.00 0.00 64.21 63.71 3knm n SER 86 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 3knm h PRO 87 N 3.90 0.00 0.41 4.33 0.13 -1.93 1.06 132.00 139.89 3knm h PRO 87 Ca 0.26 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.37 3knm h PRO 87 Cb 0.50 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.64 3knm h PRO 87 CO 0.99 0.00 -0.20 -0.22 -0.23 0.00 0.00 178.00 178.35 3knm h LYS 88 N 0.00 -0.53 -0.62 0.86 3.11 -1.95 -2.77 116.57 114.66 3knm h LYS 88 Ca 0.00 0.04 -0.01 0.00 -2.81 0.00 0.00 60.65 57.86 3knm h LYS 88 Cb 1.04 0.12 -0.03 0.00 -1.00 0.00 0.00 32.23 32.36 3knm h LYS 88 CO 0.00 -0.33 0.34 0.93 -2.81 0.00 0.00 179.45 177.58 3knm h GLU 89 N -1.13 0.86 0.39 1.90 5.08 0.23 0.17 114.58 122.07 3knm h GLU 89 Ca -0.06 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.21 3knm h GLU 89 Cb 0.44 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 3knm h GLU 89 CO 0.09 0.63 -0.31 0.82 -1.00 0.00 0.00 179.01 179.24 3knm h ILE 90 N 0.87 0.35 0.28 3.13 1.08 0.65 0.92 117.51 124.80 3knm h ILE 90 Ca 0.22 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.69 3knm h ILE 90 Cb 0.02 0.35 -0.03 0.00 -3.07 0.00 0.00 36.82 34.10 3knm h ILE 90 CO -0.04 0.00 -0.46 0.50 -0.69 0.00 0.00 178.15 177.47 3knm h LYS 91 N -0.70 -0.75 -0.55 2.37 3.64 -1.16 -1.40 116.57 118.02 3knm h LYS 91 Ca -0.03 0.05 0.05 0.00 -1.27 0.00 0.00 60.65 59.45 3knm h LYS 91 Cb 0.61 0.17 -0.07 0.00 -0.41 0.00 0.00 32.23 32.53 3knm h LYS 91 CO -0.01 -0.50 -0.33 1.17 -2.27 0.00 0.00 179.45 177.51 3knm n LYS 92 N -5.12 -0.24 -0.32 1.90 3.00 0.57 -0.11 118.16 117.84 3knm n LYS 92 Ca -0.09 1.23 0.14 0.00 -0.00 0.00 0.00 58.31 59.58 3knm n LYS 92 Cb 0.39 -1.82 0.28 0.00 0.00 0.00 0.00 35.03 33.88 3knm n LYS 92 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 3knm h GLU 93 N 0.00 0.07 -3.13 1.64 4.22 0.14 -0.20 114.58 117.32 3knm h GLU 93 Ca 0.09 -0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.52 3knm h GLU 93 Cb 0.23 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.46 3knm h GLU 93 CO -0.52 0.04 0.55 1.28 -2.18 0.00 0.00 179.01 178.19 3knm n LEU 94 N -5.39 0.00 0.00 1.64 4.32 0.85 -4.26 117.00 114.15 3knm n LEU 94 Ca 0.22 -0.55 0.00 0.00 -0.02 0.00 0.00 56.01 55.65 3knm n LEU 94 Cb 0.72 -0.06 0.00 0.00 -1.62 0.00 0.00 43.42 42.46 3knm n LEU 94 CO -0.02 -0.59 0.00 0.18 -1.22 0.00 0.00 177.39 175.74 3knm n LEU 95 N 3.23 0.49 0.00 2.23 4.32 -1.06 -5.04 117.00 121.17 3knm n LEU 95 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 3knm n LEU 95 Cb 0.00 -1.14 0.00 0.00 -1.62 0.00 0.00 43.42 40.66 3knm n LEU 95 CO 0.28 -0.38 0.00 1.17 -1.22 0.00 0.00 177.39 177.24