#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knm s GLU 2 N 0.00 1.09 -0.07 2.12 -1.05 -1.26 -4.06 118.70 115.47 3knm s GLU 2 Ca 0.00 -0.82 0.02 0.00 -0.15 0.00 0.00 54.97 54.01 3knm s GLU 2 Cb 0.00 0.45 0.02 0.00 -0.44 0.00 0.00 34.13 34.15 3knm s GLU 2 CO 0.00 -0.42 -0.10 0.00 0.95 0.00 0.00 175.26 175.69 3knm s ALA 3 N -3.84 1.19 0.72 -0.84 0.00 -0.92 -4.95 121.76 113.11 3knm s ALA 3 Ca 0.06 -0.39 -0.06 0.00 0.00 0.00 0.00 51.96 51.57 3knm s ALA 3 Cb 0.02 -0.62 0.08 0.00 0.00 0.00 0.00 23.12 22.60 3knm s ALA 3 CO -0.09 -0.01 1.02 0.15 0.00 0.00 0.00 175.76 176.82 3knm s LYS 4 N 0.91 2.04 0.00 0.00 1.02 -1.26 -2.06 119.74 120.39 3knm s LYS 4 Ca -0.10 -0.39 0.00 0.00 0.02 0.00 0.00 55.97 55.49 3knm s LYS 4 Cb -0.15 -2.18 0.00 0.00 -0.52 0.00 0.00 37.83 34.98 3knm s LYS 4 CO 0.01 -1.32 0.00 0.00 -0.92 0.00 0.00 175.35 173.12 3knm n ALA 5 N -2.94 0.00 -0.76 5.17 0.00 -1.24 -4.48 120.51 116.26 3knm n ALA 5 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 3knm n ALA 5 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 3knm n ALA 5 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3knm n ILE 6 N 0.00 -1.21 -3.57 0.00 5.41 -1.02 -4.79 119.36 114.18 3knm n ILE 6 Ca 0.00 0.00 -0.38 0.00 1.00 0.00 0.00 62.75 63.37 3knm n ILE 6 Cb 0.00 -1.94 -0.11 0.00 -0.71 0.00 0.00 39.64 36.88 3knm n ILE 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3knm s ALA 7 N 0.00 3.53 0.39 -1.39 0.00 -0.55 -4.92 121.76 118.82 3knm s ALA 7 Ca 0.00 -1.08 0.07 0.00 0.00 0.00 0.00 51.96 50.95 3knm s ALA 7 Cb 0.00 -2.51 0.00 0.00 0.00 0.00 0.00 23.12 20.61 3knm s ALA 7 CO 0.00 -0.58 0.53 1.03 0.00 0.00 0.00 175.76 176.75 3knm s ARG 8 N 1.79 2.94 -1.69 0.00 1.81 -1.26 -1.42 118.95 121.11 3knm s ARG 8 Ca 0.08 -1.13 -0.14 0.00 -1.72 0.00 0.00 55.73 52.81 3knm s ARG 8 Cb -0.16 -2.78 0.14 0.00 -0.45 0.00 0.00 34.95 31.70 3knm s ARG 8 CO 0.11 -0.14 0.34 0.66 -0.68 0.00 0.00 175.30 175.59 3knm n TYR 9 N -1.78 -1.16 -0.23 -0.53 0.53 -1.17 -4.85 117.16 107.98 3knm n TYR 9 Ca 0.05 0.63 0.03 0.00 -1.02 0.00 0.00 57.90 57.59 3knm n TYR 9 Cb 0.59 -2.16 0.27 0.00 -1.03 0.00 0.00 39.34 37.01 3knm n TYR 9 CO 0.00 0.00 0.00 0.28 -1.02 0.00 0.00 176.86 176.12 3knm h VAL 10 N -1.19 1.12 -3.42 -0.72 2.07 -0.72 -3.45 116.25 109.95 3knm h VAL 10 Ca -0.60 -0.33 -0.05 0.00 0.82 0.00 0.00 66.70 66.55 3knm h VAL 10 Cb 1.35 0.09 0.04 0.00 -1.52 0.00 0.00 31.29 31.24 3knm h VAL 10 CO 0.79 0.17 -0.16 -1.14 0.02 0.00 0.00 177.57 177.26 3knm n ARG 11 N -4.45 -0.45 -3.56 1.57 0.00 -1.26 -4.76 116.66 103.74 3knm n ARG 11 Ca 0.10 0.16 -0.13 0.00 -0.00 0.00 0.00 57.85 57.98 3knm n ARG 11 Cb 0.12 -2.34 -0.06 0.00 0.00 0.00 0.00 32.46 30.19 3knm n ARG 11 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.63 176.13 3knm s ILE 12 N -3.07 0.00 0.11 5.15 2.07 -1.05 -4.92 121.20 119.48 3knm s ILE 12 Ca 0.08 0.00 -0.31 0.00 -1.41 0.00 0.00 60.65 59.01 3knm s ILE 12 Cb -0.01 -1.00 -0.07 0.00 0.13 0.00 0.00 42.46 41.51 3knm s ILE 12 CO 0.14 0.00 1.27 -0.55 -1.91 0.00 0.00 174.94 173.89 3knm s SER 13 N -0.93 6.98 0.09 4.50 0.15 -1.26 -2.90 113.70 120.33 3knm s SER 13 Ca -0.05 2.17 -0.30 0.00 0.70 0.00 0.00 55.95 58.48 3knm s SER 13 Cb -0.01 -2.59 -0.13 0.00 -1.71 0.00 0.00 66.02 61.58 3knm s SER 13 CO 0.04 -0.52 1.47 -0.65 1.20 0.00 0.00 173.24 174.78 3knm h PRO 14 N 6.49 -0.66 -0.76 5.44 0.11 -1.92 -1.62 132.00 139.08 3knm h PRO 14 Ca -0.42 0.04 0.29 0.00 0.11 0.00 0.00 66.00 66.02 3knm h PRO 14 Cb 1.21 0.15 -0.14 0.00 0.11 0.00 0.00 31.00 32.33 3knm h PRO 14 CO 0.82 -0.44 0.31 0.54 -0.21 0.00 0.00 178.00 179.02 3knm n ARG 15 N -5.02 -0.05 -0.02 1.05 1.74 -1.26 -0.05 116.66 113.05 3knm n ARG 15 Ca -0.08 1.07 -0.16 0.00 -0.77 0.00 0.00 57.85 57.92 3knm n ARG 15 Cb 0.36 -1.87 -0.10 0.00 -1.02 0.00 0.00 32.46 29.83 3knm n ARG 15 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 3knm h LYS 16 N 0.00 0.32 0.00 5.56 1.57 -1.71 -3.28 116.57 119.03 3knm h LYS 16 Ca 0.60 -0.30 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 3knm h LYS 16 Cb 1.52 0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.91 3knm h LYS 16 CO -0.62 0.97 0.00 1.33 -0.57 0.00 0.00 179.45 180.57 3knm n VAL 17 N -4.38 0.40 0.18 0.50 0.24 0.93 -3.52 118.33 112.68 3knm n VAL 17 Ca -0.09 0.05 -0.12 0.00 -2.04 0.00 0.00 64.34 62.13 3knm n VAL 17 Cb 0.55 -0.69 -0.07 0.00 -1.47 0.00 0.00 33.84 32.17 3knm n VAL 17 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 3knm h ARG 18 N 0.00 -0.48 -0.67 7.34 3.08 -1.25 -2.58 114.38 119.82 3knm h ARG 18 Ca 0.00 0.03 0.26 0.00 0.07 0.00 0.00 59.98 60.34 3knm h ARG 18 Cb 0.45 0.11 -0.12 0.00 0.08 0.00 0.00 29.97 30.49 3knm h ARG 18 CO 0.00 -0.16 0.29 1.28 -1.07 0.00 0.00 179.97 180.31 3knm n LEU 19 N -5.14 0.17 0.04 3.04 4.77 -1.23 0.73 117.00 119.38 3knm n LEU 19 Ca -0.09 1.12 -0.10 0.00 -0.03 0.00 0.00 56.01 56.91 3knm n LEU 19 Cb 0.28 -0.52 -0.08 0.00 -2.33 0.00 0.00 43.42 40.77 3knm n LEU 19 CO 0.27 -1.23 0.37 0.58 -1.33 0.00 0.00 177.39 176.05 3knm h VAL 20 N 0.00 0.87 -1.01 4.08 2.07 -1.71 -3.16 116.25 117.39 3knm h VAL 20 Ca 0.54 -1.22 0.25 0.00 0.82 0.00 0.00 66.70 67.09 3knm h VAL 20 Cb 1.37 1.50 -0.13 0.00 -1.52 0.00 0.00 31.29 32.51 3knm h VAL 20 CO -0.54 0.24 0.60 0.58 0.02 0.00 0.00 177.57 178.47 3knm h VAL 21 N -0.88 0.52 0.00 2.57 2.07 0.72 0.45 116.25 121.70 3knm h VAL 21 Ca -0.02 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 3knm h VAL 21 Cb 0.53 -0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.21 3knm h VAL 21 CO 0.03 0.10 -0.04 0.44 0.02 0.00 0.00 177.57 178.13 3knm h ASP 22 N 0.56 0.00 0.84 0.57 3.45 -0.78 -1.49 116.42 119.56 3knm h ASP 22 Ca 0.65 0.00 0.00 0.00 0.43 0.00 0.00 57.03 58.11 3knm h ASP 22 Cb 1.27 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.04 3knm h ASP 22 CO -0.48 0.04 0.00 0.18 -1.57 0.00 0.00 179.24 177.41 3knm n LEU 23 N -4.46 0.22 0.00 1.55 4.32 0.16 -3.80 117.00 114.99 3knm n LEU 23 Ca -0.03 0.54 0.00 0.00 -0.02 0.00 0.00 56.01 56.50 3knm n LEU 23 Cb 0.12 -0.49 0.00 0.00 -1.62 0.00 0.00 43.42 41.43 3knm n LEU 23 CO 0.34 -0.21 -0.46 2.30 -1.22 0.00 0.00 177.39 178.15 3knm n ILE 24 N -1.72 0.00 -1.38 -0.08 -5.35 -0.74 -4.99 119.36 105.10 3knm n ILE 24 Ca 0.05 0.00 -0.56 0.00 -0.27 0.00 0.00 62.75 61.97 3knm n ILE 24 Cb 0.27 0.25 -0.09 0.00 -1.74 0.00 0.00 39.64 38.32 3knm n ILE 24 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 3knm n ARG 25 N -1.44 0.55 -1.82 6.28 0.63 -0.64 -2.01 116.66 118.21 3knm n ARG 25 Ca 0.00 0.16 0.00 0.00 -0.92 0.00 0.00 57.85 57.09 3knm n ARG 25 Cb 0.07 -1.96 0.00 0.00 0.45 0.00 0.00 32.46 31.02 3knm n ARG 25 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3knm n GLY 26 N 6.76 0.61 3.03 5.14 0.00 -0.43 -5.04 105.19 115.25 3knm n GLY 26 Ca 0.46 -0.46 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 3knm n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3knm s LYS 27 N -3.52 0.41 0.07 1.61 1.02 -0.85 -4.85 119.74 113.63 3knm s LYS 27 Ca 0.00 -0.72 -0.36 0.00 0.02 0.00 0.00 55.97 54.90 3knm s LYS 27 Cb 0.00 0.15 -0.16 0.00 -0.52 0.00 0.00 37.83 37.30 3knm s LYS 27 CO 0.00 -0.08 1.44 -1.13 -0.92 0.00 0.00 175.35 174.66 3knm n SER 28 N 1.21 2.06 -0.21 2.83 3.41 -1.26 -1.14 113.62 120.52 3knm n SER 28 Ca -0.21 1.10 0.31 0.00 -0.26 0.00 0.00 58.87 59.81 3knm n SER 28 Cb 0.57 -1.24 0.70 0.00 -0.26 0.00 0.00 64.21 63.97 3knm n SER 28 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3knm h LEU 29 N 5.17 0.00 0.26 1.04 5.85 -1.86 0.73 115.31 126.50 3knm h LEU 29 Ca -0.47 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.24 3knm h LEU 29 Cb 1.32 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.35 3knm h LEU 29 CO 0.82 0.00 -0.13 -0.08 -0.34 0.00 0.00 178.44 178.71 3knm h GLU 30 N 0.00 -0.34 -0.75 1.25 4.57 -1.85 -2.16 114.58 115.29 3knm h GLU 30 Ca 0.47 0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.66 3knm h GLU 30 Cb 2.17 0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 30.80 3knm h GLU 30 CO -0.00 0.02 0.38 1.49 -1.18 0.00 0.00 179.01 179.72 3knm h GLU 31 N -0.84 1.06 -0.97 1.92 4.81 -0.98 -0.72 114.58 118.86 3knm h GLU 31 Ca -0.04 -0.13 0.22 0.00 -0.13 0.00 0.00 59.36 59.28 3knm h GLU 31 Cb 0.51 -0.20 -0.12 0.00 0.63 0.00 0.00 28.75 29.57 3knm h GLU 31 CO 0.06 0.80 0.55 0.00 -0.73 0.00 0.00 179.01 179.69 3knm h ALA 32 N 1.36 1.67 0.11 2.92 0.00 0.38 0.24 119.26 125.94 3knm h ALA 32 Ca 0.26 0.12 -0.29 0.00 0.00 0.00 0.00 54.91 55.01 3knm h ALA 32 Cb 0.07 0.02 0.02 0.00 0.00 0.00 0.00 17.79 17.90 3knm h ALA 32 CO -0.04 -0.22 -1.21 0.00 0.00 0.00 0.00 179.25 177.77 3knm h ARG 33 N 0.59 0.51 -0.35 0.00 3.08 -0.50 -2.64 114.38 115.08 3knm h ARG 33 Ca 0.60 -0.70 -0.03 0.00 0.07 0.00 0.00 59.98 59.92 3knm h ARG 33 Cb 1.09 0.24 -0.02 0.00 0.08 0.00 0.00 29.97 31.36 3knm h ARG 33 CO -0.46 1.31 0.10 -0.91 -1.07 0.00 0.00 179.97 178.94 3knm h ASN 34 N 0.22 0.45 0.08 7.04 -0.26 0.28 0.45 115.58 123.84 3knm h ASN 34 Ca -0.17 -0.05 -0.00 0.00 -0.56 0.00 0.00 56.30 55.52 3knm h ASN 34 Cb 1.89 -0.12 0.00 0.00 -1.06 0.00 0.00 38.32 39.04 3knm h ASN 34 CO 0.22 0.44 -0.04 0.40 -1.06 0.00 0.00 177.43 177.40 3knm h ILE 35 N 0.50 0.97 -0.22 2.81 2.04 -0.70 -2.87 117.51 120.04 3knm h ILE 35 Ca 0.12 -1.45 0.06 0.00 1.00 0.00 0.00 64.86 64.58 3knm h ILE 35 Cb 0.16 1.73 -0.06 0.00 -0.74 0.00 0.00 36.82 37.91 3knm h ILE 35 CO -0.01 0.29 -0.16 -0.07 0.00 0.00 0.00 178.15 178.20 3knm h LEU 36 N -0.92 -0.53 -0.98 1.44 3.38 -1.35 -1.35 115.31 115.00 3knm h LEU 36 Ca -0.01 0.11 0.09 0.00 0.09 0.00 0.00 57.88 58.16 3knm h LEU 36 Cb 0.56 0.27 -0.12 0.00 0.09 0.00 0.00 40.66 41.46 3knm h LEU 36 CO 0.02 -0.20 -0.58 -1.14 0.09 0.00 0.00 178.44 176.63 3knm n ARG 37 N -5.32 -0.43 -1.33 1.13 3.00 0.16 -1.26 116.66 112.61 3knm n ARG 37 Ca -0.01 1.49 -0.33 0.00 -0.00 0.00 0.00 57.85 59.00 3knm n ARG 37 Cb 0.24 -2.18 0.07 0.00 0.00 0.00 0.00 32.46 30.58 3knm n ARG 37 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 3knm n TYR 38 N -5.23 2.96 -3.85 -0.14 4.01 -0.70 -4.87 117.16 109.33 3knm n TYR 38 Ca 0.02 -2.82 -0.36 0.00 -0.16 0.00 0.00 57.90 54.59 3knm n TYR 38 Cb 0.26 -1.37 -0.13 0.00 -0.31 0.00 0.00 39.34 37.79 3knm n TYR 38 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 3knm s THR 39 N -4.47 3.57 -1.43 -0.72 2.01 -0.39 -4.99 115.64 109.22 3knm s THR 39 Ca 0.59 -0.61 -0.12 0.00 0.31 0.00 0.00 61.69 61.86 3knm s THR 39 Cb 0.47 -2.73 0.06 0.00 0.01 0.00 0.00 72.50 70.31 3knm s THR 39 CO -0.05 0.27 2.21 -3.20 -0.69 0.00 0.00 174.62 173.16 3knm n ASN 40 N 4.81 4.75 -3.97 3.53 5.15 -1.26 -4.83 115.26 123.44 3knm n ASN 40 Ca -0.17 -2.90 -0.08 0.00 -0.60 0.00 0.00 54.58 50.84 3knm n ASN 40 Cb 0.49 -1.59 -0.08 0.00 -0.53 0.00 0.00 39.78 38.07 3knm n ASN 40 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3knm s LYS 41 N 2.25 0.81 -0.00 1.20 -0.14 -1.26 -5.07 119.74 117.51 3knm s LYS 41 Ca 0.47 -1.10 -0.24 0.00 -1.36 0.00 0.00 55.97 53.74 3knm s LYS 41 Cb 0.13 0.29 -0.19 0.00 -1.68 0.00 0.00 37.83 36.39 3knm s LYS 41 CO -0.06 -0.23 1.28 -0.09 -0.76 0.00 0.00 175.35 175.49 3knm h ARG 42 N 2.87 0.11 -0.91 1.68 2.43 -1.96 -3.27 114.38 115.34 3knm h ARG 42 Ca -0.34 -0.06 0.25 0.00 -0.81 0.00 0.00 59.98 59.02 3knm h ARG 42 Cb 1.18 0.00 -0.14 0.00 -0.42 0.00 0.00 29.97 30.59 3knm h ARG 42 CO 0.59 0.58 0.32 0.78 -1.51 0.00 0.00 179.97 180.73 3knm h GLY 43 N -0.35 1.54 -0.24 2.80 0.00 -1.93 0.14 103.07 105.03 3knm h GLY 43 Ca 0.01 -0.09 0.23 0.00 0.00 0.00 0.00 47.33 47.48 3knm h GLY 43 CO 0.01 -0.39 0.89 0.00 0.00 0.00 0.00 176.54 177.06 3knm h ALA 44 N 1.79 2.63 0.30 3.60 0.00 -1.88 0.51 119.26 126.21 3knm h ALA 44 Ca 0.59 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.46 3knm h ALA 44 Cb 1.23 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3knm h ALA 44 CO -0.63 -1.30 -0.15 -0.92 0.00 0.00 0.00 179.25 176.25 3knm h TYR 45 N 0.00 -0.38 0.16 0.00 3.20 -1.16 -1.98 116.97 116.81 3knm h TYR 45 Ca 0.38 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.23 3knm h TYR 45 Cb 2.16 0.12 0.00 0.00 1.54 0.00 0.00 36.73 40.56 3knm h TYR 45 CO 0.00 -0.05 -0.07 0.74 -1.64 0.00 0.00 178.16 177.13 3knm h PHE 46 N -0.73 -0.19 -0.93 -3.82 0.04 -0.22 -2.36 116.94 108.73 3knm h PHE 46 Ca -0.04 -0.00 0.17 0.00 2.80 0.00 0.00 57.97 60.89 3knm h PHE 46 Cb 0.49 0.06 -0.10 0.00 2.20 0.00 0.00 35.95 38.61 3knm h PHE 46 CO 0.02 0.14 0.52 0.28 -0.60 0.00 0.00 178.31 178.68 3knm h VAL 47 N -0.55 0.72 0.01 -0.55 2.07 -1.24 0.17 116.25 116.88 3knm h VAL 47 Ca -0.02 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.26 3knm h VAL 47 Cb 0.42 -0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 30.15 3knm h VAL 47 CO 0.04 0.13 -0.01 0.00 0.02 0.00 0.00 177.57 177.74 3knm h ALA 48 N 1.60 -0.02 0.01 1.67 0.00 -1.30 -0.32 119.26 120.90 3knm h ALA 48 Ca 0.52 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.44 3knm h ALA 48 Cb 0.76 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 3knm h ALA 48 CO -0.37 -0.51 -0.32 0.87 0.00 0.00 0.00 179.25 178.91 3knm h LYS 49 N -0.02 -0.40 -0.75 0.00 1.79 -0.17 0.13 116.57 117.15 3knm h LYS 49 Ca 0.00 0.03 0.11 0.00 -2.18 0.00 0.00 60.65 58.61 3knm h LYS 49 Cb 0.02 0.09 -0.08 0.00 -1.58 0.00 0.00 32.23 30.68 3knm h LYS 49 CO -0.00 -0.26 0.36 -0.24 -1.08 0.00 0.00 179.45 178.23 3knm h VAL 50 N -0.41 0.78 -0.18 0.50 3.04 -1.18 -1.43 116.25 117.38 3knm h VAL 50 Ca 0.01 -0.20 -0.00 0.00 -1.01 0.00 0.00 66.70 65.50 3knm h VAL 50 Cb 0.44 0.15 -0.01 0.00 -2.01 0.00 0.00 31.29 29.86 3knm h VAL 50 CO -0.21 0.11 0.11 0.25 -1.01 0.00 0.00 177.57 176.81 3knm h LEU 51 N 0.58 0.22 -0.56 3.16 6.46 -0.57 -0.13 115.31 124.47 3knm h LEU 51 Ca 0.39 -0.06 0.04 0.00 -0.12 0.00 0.00 57.88 58.13 3knm h LEU 51 Cb 0.48 -0.05 -0.04 0.00 -0.73 0.00 0.00 40.66 40.31 3knm h LEU 51 CO -0.32 0.21 0.31 -0.08 -0.62 0.00 0.00 178.44 177.94 3knm h GLU 52 N 0.20 0.58 -0.58 1.25 4.57 0.05 -2.02 114.58 118.63 3knm h GLU 52 Ca 0.06 -0.03 -0.07 0.00 -1.18 0.00 0.00 59.36 58.14 3knm h GLU 52 Cb 0.03 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.47 3knm h GLU 52 CO -0.01 0.38 0.10 1.03 -1.18 0.00 0.00 179.01 179.33 3knm h SER 53 N 0.60 0.92 -0.68 1.04 0.87 -1.08 -2.19 113.55 113.03 3knm h SER 53 Ca 0.24 -0.26 0.08 0.00 -1.23 0.00 0.00 61.79 60.62 3knm h SER 53 Cb 0.10 -0.24 -0.06 0.00 -0.44 0.00 0.00 62.40 61.76 3knm h SER 53 CO -0.14 0.94 0.35 0.00 -0.53 0.00 0.00 176.83 177.45 3knm h ALA 54 N 1.01 0.92 -0.35 6.23 0.00 -0.60 0.07 119.26 126.54 3knm h ALA 54 Ca 0.18 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.13 3knm h ALA 54 Cb 0.41 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3knm h ALA 54 CO 0.01 -0.02 0.23 0.00 0.00 0.00 0.00 179.25 179.47 3knm h ALA 55 N 1.39 1.77 0.40 0.00 0.00 -0.86 -0.98 119.26 120.97 3knm h ALA 55 Ca 0.32 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 3knm h ALA 55 Cb 0.29 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3knm h ALA 55 CO -0.23 0.21 -0.19 0.00 0.00 0.00 0.00 179.25 179.04 3knm h ALA 56 N 1.79 -0.87 -0.76 0.00 0.00 -0.41 -2.69 119.26 116.31 3knm h ALA 56 Ca 0.13 -0.12 0.10 0.00 0.00 0.00 0.00 54.91 55.02 3knm h ALA 56 Cb -0.03 0.21 -0.12 0.00 0.00 0.00 0.00 17.79 17.85 3knm h ALA 56 CO -0.03 -0.83 -0.49 -0.91 0.00 0.00 0.00 179.25 176.99 3knm h ASN 57 N -0.68 -1.75 -0.92 0.00 -0.26 -1.23 0.17 115.58 110.92 3knm h ASN 57 Ca -0.05 0.28 0.32 0.00 -0.56 0.00 0.00 56.30 56.29 3knm h ASN 57 Cb 0.41 0.79 -0.17 0.00 -1.06 0.00 0.00 38.32 38.29 3knm h ASN 57 CO 0.09 -0.30 0.25 0.00 -1.06 0.00 0.00 177.43 176.41 3knm n ALA 58 N -3.23 0.70 -0.09 -0.83 0.00 -0.38 0.79 120.51 117.46 3knm n ALA 58 Ca 0.03 0.96 -0.20 0.00 0.00 0.00 0.00 53.44 54.23 3knm n ALA 58 Cb 0.33 -0.83 -0.12 0.00 0.00 0.00 0.00 19.45 18.83 3knm n ALA 58 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3knm n VAL 59 N -5.22 1.57 -0.12 0.00 0.31 0.21 -2.21 118.33 112.88 3knm n VAL 59 Ca 0.28 -0.56 -0.11 0.00 -0.01 0.00 0.00 64.34 63.94 3knm n VAL 59 Cb 0.94 -1.56 0.01 0.00 -0.91 0.00 0.00 33.84 32.32 3knm n VAL 59 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 3knm h ASN 60 N -0.09 0.94 0.00 4.52 -0.26 -0.20 -2.47 115.58 118.02 3knm h ASN 60 Ca -0.54 -0.40 0.00 0.00 -0.56 0.00 0.00 56.30 54.80 3knm h ASN 60 Cb 1.89 -0.26 0.00 0.00 -1.06 0.00 0.00 38.32 38.89 3knm h ASN 60 CO -0.07 1.17 -0.68 0.59 -1.06 0.00 0.00 177.43 177.38 3knm n ASN 61 N -4.08 0.70 -0.04 5.81 5.03 0.24 -4.66 115.26 118.26 3knm n ASN 61 Ca -0.01 -0.75 0.00 0.00 0.87 0.00 0.00 54.58 54.69 3knm n ASN 61 Cb 0.50 1.04 0.00 0.00 -1.02 0.00 0.00 39.78 40.31 3knm n ASN 61 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 3knm n HIS 62 N -1.35 0.00 -2.87 3.10 8.25 -1.04 -5.00 115.22 116.31 3knm n HIS 62 Ca 0.02 -0.12 -0.19 0.00 -0.26 0.00 0.00 57.72 57.17 3knm n HIS 62 Cb 0.21 -0.02 0.02 0.00 1.12 0.00 0.00 29.99 31.32 3knm n HIS 62 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 3knm n ASP 63 N -0.13 -4.72 0.00 0.41 5.75 -0.93 -4.88 116.55 112.04 3knm n ASP 63 Ca 0.00 0.05 0.00 0.00 -0.01 0.00 0.00 54.79 54.83 3knm n ASP 63 Cb 0.47 -1.26 0.00 0.00 -1.03 0.00 0.00 41.12 39.29 3knm n ASP 63 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 3knm n MET 64 N 0.38 4.31 -1.03 0.11 2.81 -0.94 -4.97 117.12 117.78 3knm n MET 64 Ca -0.04 0.00 -0.00 0.00 -1.81 0.00 0.00 57.70 55.85 3knm n MET 64 Cb 0.49 -0.58 -0.00 0.00 -0.71 0.00 0.00 33.22 32.41 3knm n MET 64 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3knm n LEU 65 N -0.98 -2.08 -0.36 4.03 4.77 -1.26 -4.70 117.00 116.41 3knm n LEU 65 Ca 0.00 0.05 0.07 0.00 -0.03 0.00 0.00 56.01 56.10 3knm n LEU 65 Cb 0.00 -1.04 0.24 0.00 -2.33 0.00 0.00 43.42 40.29 3knm n LEU 65 CO 0.00 -0.05 1.24 -0.08 -1.33 0.00 0.00 177.39 177.17 3knm h GLU 66 N 0.08 0.98 -0.07 3.23 4.81 -1.95 -2.00 114.58 119.66 3knm h GLU 66 Ca -0.00 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 3knm h GLU 66 Cb 0.00 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.16 3knm h GLU 66 CO 0.00 0.65 0.00 -0.25 -0.73 0.00 0.00 179.01 178.68 3knm n ASP 67 N -4.59 0.07 -0.16 1.04 8.00 -1.26 -2.49 116.55 117.15 3knm n ASP 67 Ca 0.18 -1.65 0.01 0.00 0.71 0.00 0.00 54.79 54.05 3knm n ASP 67 Cb 0.33 -0.03 0.02 0.00 -0.02 0.00 0.00 41.12 41.41 3knm n ASP 67 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3knm n ARG 68 N -0.45 0.66 -2.58 -1.24 5.12 -0.75 -5.03 116.66 112.39 3knm n ARG 68 Ca 0.00 -1.07 -0.26 0.00 -1.93 0.00 0.00 57.85 54.58 3knm n ARG 68 Cb 0.02 -0.71 0.01 0.00 -1.16 0.00 0.00 32.46 30.62 3knm n ARG 68 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3knm s LEU 69 N -0.52 3.47 -0.05 0.55 1.43 -1.04 0.31 118.68 122.83 3knm s LEU 69 Ca 0.04 0.76 -0.29 0.00 -1.03 0.00 0.00 54.13 53.60 3knm s LEU 69 Cb 0.03 -3.65 0.09 0.00 0.03 0.00 0.00 46.19 42.70 3knm s LEU 69 CO 0.00 -0.80 0.77 -0.72 0.23 0.00 0.00 176.35 175.84 3knm s TYR 70 N -2.82 -0.54 -1.18 0.29 -0.85 -0.86 -2.93 117.35 108.47 3knm s TYR 70 Ca 0.50 0.80 -0.22 0.00 -0.52 0.00 0.00 57.07 57.63 3knm s TYR 70 Cb -0.10 0.45 -0.08 0.00 0.38 0.00 0.00 41.96 42.61 3knm s TYR 70 CO 0.44 -0.57 1.92 0.08 -1.52 0.00 0.00 175.55 175.91 3knm s VAL 71 N -1.71 3.58 0.40 -3.49 1.01 -0.29 -0.60 120.40 119.30 3knm s VAL 71 Ca -0.05 -0.96 0.17 0.00 0.00 0.00 0.00 61.98 61.14 3knm s VAL 71 Cb -0.00 -4.59 0.38 0.00 0.00 0.00 0.00 36.38 32.17 3knm s VAL 71 CO 0.03 -1.05 1.82 0.50 0.00 0.00 0.00 175.10 176.40 3knm h LYS 72 N 9.66 0.42 -2.17 2.72 1.63 -1.82 -1.15 116.57 125.86 3knm h LYS 72 Ca 0.23 -0.03 0.17 0.00 -0.85 0.00 0.00 60.65 60.17 3knm h LYS 72 Cb 0.94 -0.09 -0.12 0.00 -0.60 0.00 0.00 32.23 32.35 3knm h LYS 72 CO 1.24 0.28 0.54 0.00 -3.45 0.00 0.00 179.45 178.06 3knm s ALA 73 N -5.48 -1.80 -0.15 5.00 0.00 -1.21 -4.81 121.76 113.31 3knm s ALA 73 Ca -0.09 0.61 -0.30 0.00 0.00 0.00 0.00 51.96 52.18 3knm s ALA 73 Cb 0.24 0.48 0.13 0.00 0.00 0.00 0.00 23.12 23.97 3knm s ALA 73 CO 0.79 -0.88 1.01 0.00 0.00 0.00 0.00 175.76 176.68 3knm s ALA 74 N -3.08 -1.94 -0.11 0.00 0.00 -1.26 -1.87 121.76 113.51 3knm s ALA 74 Ca 0.10 1.55 -0.33 0.00 0.00 0.00 0.00 51.96 53.28 3knm s ALA 74 Cb -0.01 -0.64 0.12 0.00 0.00 0.00 0.00 23.12 22.60 3knm s ALA 74 CO -0.03 -0.35 1.12 1.52 0.00 0.00 0.00 175.76 178.02 3knm s TYR 75 N -1.32 -0.18 -0.13 0.00 -0.00 -0.62 -5.01 117.35 110.09 3knm s TYR 75 Ca -0.00 0.09 -0.00 0.00 -0.00 0.00 0.00 57.07 57.16 3knm s TYR 75 Cb -0.01 0.53 0.03 0.00 -0.00 0.00 0.00 41.96 42.51 3knm s TYR 75 CO 0.00 -0.33 -0.09 0.08 -0.00 0.00 0.00 175.55 175.22 3knm s VAL 76 N -2.65 1.16 0.01 -3.49 1.01 -1.26 -1.96 120.40 113.23 3knm s VAL 76 Ca 0.09 -0.43 -0.02 0.00 0.00 0.00 0.00 61.98 61.62 3knm s VAL 76 Cb -0.01 -1.19 -0.04 0.00 0.00 0.00 0.00 36.38 35.15 3knm s VAL 76 CO -0.06 0.34 0.18 -1.81 0.00 0.00 0.00 175.10 173.76 3knm s ASP 77 N 1.65 6.32 0.21 3.32 1.11 -0.97 -4.92 116.67 123.39 3knm s ASP 77 Ca 0.04 0.31 -0.23 0.00 0.18 0.00 0.00 52.55 52.85 3knm s ASP 77 Cb -0.13 -1.96 -0.08 0.00 1.07 0.00 0.00 42.92 41.81 3knm s ASP 77 CO -0.09 0.23 0.77 -0.70 1.18 0.00 0.00 175.17 176.57 3knm s GLU 78 N -2.11 4.43 0.49 8.23 2.12 -1.26 -0.40 118.70 130.20 3knm s GLU 78 Ca 0.29 1.05 0.06 0.00 0.36 0.00 0.00 54.97 56.74 3knm s GLU 78 Cb -0.13 -3.03 0.01 0.00 0.26 0.00 0.00 34.13 31.24 3knm s GLU 78 CO 0.21 0.46 0.37 0.20 -0.54 0.00 0.00 175.26 175.96 3knm s GLY 79 N -1.43 2.31 0.05 -1.50 0.00 0.07 -4.85 107.32 101.98 3knm s GLY 79 Ca 0.41 -1.55 -0.31 0.00 0.00 0.00 0.00 44.72 43.27 3knm s GLY 79 CO 0.24 -1.88 1.89 -1.55 0.00 0.00 0.00 173.10 171.80 3knm n PRO 80 N -1.63 2.68 -2.13 2.90 -0.04 -1.26 -4.32 135.00 131.19 3knm n PRO 80 Ca -0.00 0.98 -0.32 0.00 -0.04 0.00 0.00 63.50 64.12 3knm n PRO 80 Cb 0.64 -2.88 -0.01 0.00 -0.04 0.00 0.00 33.50 31.21 3knm n PRO 80 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3knm s ALA 81 N 3.56 2.91 -0.39 0.55 0.00 -1.26 -4.53 121.76 122.61 3knm s ALA 81 Ca 0.87 0.22 -0.18 0.00 0.00 0.00 0.00 51.96 52.86 3knm s ALA 81 Cb -0.51 -3.16 0.01 0.00 0.00 0.00 0.00 23.12 19.45 3knm s ALA 81 CO 0.42 -0.59 0.51 -0.51 0.00 0.00 0.00 175.76 175.59 3knm s LEU 82 N -4.48 4.53 -0.12 0.00 1.43 0.15 -4.88 118.68 115.31 3knm s LEU 82 Ca 0.60 -0.29 -0.25 0.00 -1.03 0.00 0.00 54.13 53.15 3knm s LEU 82 Cb -0.13 -2.54 -0.02 0.00 0.03 0.00 0.00 46.19 43.53 3knm s LEU 82 CO 0.38 -0.56 0.82 -0.54 0.23 0.00 0.00 176.35 176.68 3knm s LYS 83 N 2.38 4.37 0.24 1.70 1.02 -1.26 0.35 119.74 128.54 3knm s LYS 83 Ca 0.17 1.04 0.05 0.00 0.02 0.00 0.00 55.97 57.25 3knm s LYS 83 Cb -0.16 -3.53 -0.05 0.00 -0.52 0.00 0.00 37.83 33.57 3knm s LYS 83 CO 0.14 -0.19 -0.03 1.03 -0.92 0.00 0.00 175.35 175.38 3knm s ARG 84 N 1.66 1.40 -0.00 1.68 1.81 -0.74 -4.97 118.95 119.79 3knm s ARG 84 Ca 0.40 -1.70 -0.02 0.00 -1.72 0.00 0.00 55.73 52.69 3knm s ARG 84 Cb -0.17 -0.82 -0.04 0.00 -0.45 0.00 0.00 34.95 33.46 3knm s ARG 84 CO 0.16 -0.03 0.18 0.08 -0.68 0.00 0.00 175.30 175.01 3knm s VAL 85 N -3.26 5.41 -0.38 3.52 1.01 -1.26 0.12 120.40 125.56 3knm s VAL 85 Ca 0.28 -0.20 0.01 0.00 0.00 0.00 0.00 61.98 62.07 3knm s VAL 85 Cb 0.05 -3.54 0.14 0.00 0.00 0.00 0.00 36.38 33.03 3knm s VAL 85 CO 0.09 0.30 0.24 -0.22 0.00 0.00 0.00 175.10 175.51 3knm s LEU 86 N -2.00 1.37 0.33 3.92 2.96 0.16 -4.80 118.68 120.61 3knm s LEU 86 Ca 0.28 -2.39 -0.28 0.00 -0.22 0.00 0.00 54.13 51.51 3knm s LEU 86 Cb -0.13 -0.52 -0.12 0.00 0.50 0.00 0.00 46.19 45.92 3knm s LEU 86 CO 0.20 -0.28 1.33 -0.81 -1.32 0.00 0.00 176.35 175.47 3knm n PRO 87 N 3.78 2.19 -4.63 0.98 -0.04 -1.26 -1.70 135.00 134.32 3knm n PRO 87 Ca 0.14 0.77 -0.28 0.00 -0.04 0.00 0.00 63.50 64.08 3knm n PRO 87 Cb 0.38 -2.38 -0.10 0.00 -0.04 0.00 0.00 33.50 31.36 3knm n PRO 87 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3knm s ARG 88 N -1.67 1.98 0.55 0.54 1.81 -1.26 -4.69 118.95 116.21 3knm s ARG 88 Ca 0.57 -2.15 -0.20 0.00 -1.72 0.00 0.00 55.73 52.23 3knm s ARG 88 Cb -0.57 -1.55 -0.07 0.00 -0.45 0.00 0.00 34.95 32.31 3knm s ARG 88 CO 0.60 -0.12 0.89 0.00 -0.68 0.00 0.00 175.30 175.99 3knm n ALA 89 N -1.01 -0.06 -3.16 2.13 0.00 -1.26 -1.15 120.51 116.00 3knm n ALA 89 Ca -0.08 0.05 -0.20 0.00 0.00 0.00 0.00 53.44 53.21 3knm n ALA 89 Cb 0.67 -2.05 0.05 0.00 0.00 0.00 0.00 19.45 18.12 3knm n ALA 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3knm n ARG 90 N -0.57 -5.47 -3.72 0.00 5.12 -1.26 -3.29 116.66 107.46 3knm n ARG 90 Ca 0.12 0.76 -0.26 0.00 -1.93 0.00 0.00 57.85 56.54 3knm n ARG 90 Cb 0.45 -5.42 0.01 0.00 -1.16 0.00 0.00 32.46 26.35 3knm n ARG 90 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3knm n GLY 91 N -1.60 -1.18 0.13 -0.13 0.00 -0.97 -4.94 105.19 96.50 3knm n GLY 91 Ca -0.05 0.52 -0.23 0.00 0.00 0.00 0.00 46.02 46.25 3knm n GLY 91 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3knm n ARG 92 N -3.16 0.63 -2.73 1.61 0.63 -0.30 -4.91 116.66 108.42 3knm n ARG 92 Ca -0.21 0.33 -0.03 0.00 -0.92 0.00 0.00 57.85 57.02 3knm n ARG 92 Cb 0.63 -1.61 -0.03 0.00 0.45 0.00 0.00 32.46 31.90 3knm n ARG 92 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3knm n ALA 93 N -3.55 -3.16 -2.88 5.13 0.00 -1.26 -4.75 120.51 110.04 3knm n ALA 93 Ca -0.42 1.56 -0.24 0.00 0.00 0.00 0.00 53.44 54.34 3knm n ALA 93 Cb 0.89 -3.16 -0.04 0.00 0.00 0.00 0.00 19.45 17.14 3knm n ALA 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3knm s ASP 94 N -0.78 5.91 -0.25 0.00 -0.00 -0.69 -4.89 116.67 115.98 3knm s ASP 94 Ca -0.17 -0.03 -0.07 0.00 -0.00 0.00 0.00 52.55 52.27 3knm s ASP 94 Cb 0.01 -1.65 -0.03 0.00 -0.00 0.00 0.00 42.92 41.26 3knm s ASP 94 CO 0.63 0.02 0.07 0.27 -0.00 0.00 0.00 175.17 176.15 3knm s ILE 95 N -1.87 4.28 -0.15 0.77 -4.36 -1.26 0.35 121.20 118.96 3knm s ILE 95 Ca 0.33 -0.19 -0.16 0.00 -0.26 0.00 0.00 60.65 60.37 3knm s ILE 95 Cb -0.10 -3.00 -0.04 0.00 1.25 0.00 0.00 42.46 40.57 3knm s ILE 95 CO 0.26 0.33 0.39 -0.51 0.24 0.00 0.00 174.94 175.65 3knm s ILE 96 N 1.61 5.24 -0.37 8.37 1.10 0.12 -4.88 121.20 132.38 3knm s ILE 96 Ca 0.06 0.75 -0.22 0.00 -0.51 0.00 0.00 60.65 60.73 3knm s ILE 96 Cb -0.15 -3.73 0.01 0.00 0.15 0.00 0.00 42.46 38.74 3knm s ILE 96 CO 0.03 0.34 0.73 -0.54 -2.11 0.00 0.00 174.94 173.39 3knm s LYS 97 N 0.67 3.67 -0.62 3.50 1.02 -1.26 -1.78 119.74 124.93 3knm s LYS 97 Ca 0.21 0.15 -0.20 0.00 0.02 0.00 0.00 55.97 56.14 3knm s LYS 97 Cb -0.14 -3.83 0.09 0.00 -0.52 0.00 0.00 37.83 33.43 3knm s LYS 97 CO 0.07 -0.85 0.80 0.15 -0.92 0.00 0.00 175.35 174.60 3knm s LYS 98 N 2.98 3.08 0.98 1.68 -0.14 0.15 -4.88 119.74 123.59 3knm s LYS 98 Ca 0.28 -1.16 -0.12 0.00 -1.36 0.00 0.00 55.97 53.62 3knm s LYS 98 Cb -0.14 -4.26 0.18 0.00 -1.68 0.00 0.00 37.83 31.93 3knm s LYS 98 CO 0.17 -1.64 1.08 1.03 -0.76 0.00 0.00 175.35 175.23 3knm s ARG 99 N 3.17 0.55 -0.02 1.68 1.81 -1.26 0.33 118.95 125.21 3knm s ARG 99 Ca 0.16 0.95 -0.02 0.00 -1.72 0.00 0.00 55.73 55.09 3knm s ARG 99 Cb -0.21 -1.72 0.00 0.00 -0.45 0.00 0.00 34.95 32.57 3knm s ARG 99 CO 0.07 -2.76 0.05 0.95 -0.68 0.00 0.00 175.30 172.94 3knm s THR 100 N -2.75 0.01 0.33 0.02 -4.23 -1.22 -2.53 115.64 105.26 3knm s THR 100 Ca 0.66 -0.06 0.09 0.00 -1.18 0.00 0.00 61.69 61.19 3knm s THR 100 Cb -0.21 -0.10 -0.04 0.00 1.34 0.00 0.00 72.50 73.48 3knm s THR 100 CO 0.59 -0.03 0.09 -0.44 -0.54 0.00 0.00 174.62 174.29 3knm s SER 101 N -0.07 4.55 -0.45 3.99 0.01 -1.14 -0.75 113.70 119.84 3knm s SER 101 Ca -0.01 -0.80 0.02 0.00 1.31 0.00 0.00 55.95 56.48 3knm s SER 101 Cb -0.01 -0.71 0.14 0.00 0.21 0.00 0.00 66.02 65.65 3knm s SER 101 CO 0.00 -0.23 0.25 -1.00 0.41 0.00 0.00 173.24 172.67 3knm s HIS 102 N -2.43 2.02 -0.70 2.43 3.76 0.46 -0.07 115.29 120.76 3knm s HIS 102 Ca 0.36 -2.46 -0.25 0.00 -0.15 0.00 0.00 55.06 52.56 3knm s HIS 102 Cb -0.03 -1.90 0.05 0.00 1.11 0.00 0.00 32.58 31.81 3knm s HIS 102 CO 0.21 -0.78 1.13 0.42 -0.85 0.00 0.00 174.74 174.88 3knm s ILE 103 N 0.28 4.01 -0.12 0.60 1.01 -0.51 -2.30 121.20 124.18 3knm s ILE 103 Ca 0.18 0.03 -0.14 0.00 0.00 0.00 0.00 60.65 60.73 3knm s ILE 103 Cb -0.23 -4.81 -0.05 0.00 0.01 0.00 0.00 42.46 37.39 3knm s ILE 103 CO -0.01 -1.67 0.31 -0.89 0.00 0.00 0.00 174.94 172.69 3knm s THR 104 N 4.92 5.26 -0.34 2.92 2.01 -0.83 -1.48 115.64 128.10 3knm s THR 104 Ca 0.29 0.60 -0.01 0.00 0.31 0.00 0.00 61.69 62.88 3knm s THR 104 Cb -0.12 -3.64 0.13 0.00 0.01 0.00 0.00 72.50 68.88 3knm s THR 104 CO 0.13 0.45 0.20 -0.69 -0.69 0.00 0.00 174.62 174.02 3knm s VAL 105 N -0.03 0.07 0.78 3.82 1.01 -1.26 -1.60 120.40 123.20 3knm s VAL 105 Ca 0.19 -1.50 -0.10 0.00 0.00 0.00 0.00 61.98 60.56 3knm s VAL 105 Cb -0.14 -1.07 0.06 0.00 0.00 0.00 0.00 36.38 35.24 3knm s VAL 105 CO 0.06 -0.92 1.09 -0.63 0.00 0.00 0.00 175.10 174.70 3knm s ILE 106 N 1.28 3.24 -0.00 2.22 -1.09 -0.78 -3.65 121.20 122.42 3knm s ILE 106 Ca 0.16 0.40 -0.03 0.00 -2.23 0.00 0.00 60.65 58.96 3knm s ILE 106 Cb -0.21 -2.86 -0.00 0.00 -1.58 0.00 0.00 42.46 37.80 3knm s ILE 106 CO -0.06 -0.53 0.05 -0.76 -1.23 0.00 0.00 174.94 172.41 3knm s LEU 107 N -5.97 1.87 0.32 2.97 1.02 -0.88 -3.28 118.68 114.73 3knm s LEU 107 Ca 0.61 -0.16 0.04 0.00 0.02 0.00 0.00 54.13 54.64 3knm s LEU 107 Cb -0.17 0.29 -0.03 0.00 0.02 0.00 0.00 46.19 46.29 3knm s LEU 107 CO 0.56 -0.20 0.17 -0.83 0.02 0.00 0.00 176.35 176.07 3knm s GLY 108 N -0.82 2.17 0.16 -3.19 0.00 0.23 -2.18 107.32 103.70 3knm s GLY 108 Ca -0.09 -1.73 -0.30 0.00 0.00 0.00 0.00 44.72 42.60 3knm s GLY 108 CO 0.00 -1.60 1.08 -0.54 0.00 0.00 0.00 173.10 172.04 3knm s GLU 109 N -3.75 4.60 0.03 2.90 0.41 -1.26 -2.02 118.70 119.62 3knm s GLU 109 Ca 0.35 1.67 -0.06 0.00 -0.41 0.00 0.00 54.97 56.52 3knm s GLU 109 Cb 0.04 -3.30 -0.02 0.00 -1.78 0.00 0.00 34.13 29.08 3knm s GLU 109 CO 0.19 0.08 1.11 -0.22 -0.49 0.00 0.00 175.26 175.93 3knm h LYS 110 N 5.28 -0.04 0.00 1.61 1.63 0.45 -3.46 116.57 122.03 3knm h LYS 110 Ca -0.44 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.36 3knm h LYS 110 Cb 1.21 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.85 3knm h LYS 110 CO 0.73 -0.03 0.00 -2.39 -3.45 0.00 0.00 179.45 174.31 3knm n HIS 111 N -3.33 0.00 0.00 1.91 1.44 -1.26 -5.04 115.22 108.94 3knm n HIS 111 Ca -0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 3knm n HIS 111 Cb 0.06 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.17 3knm n HIS 111 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3knm n GLY 112 N 0.00 0.91 0.00 -1.39 0.00 -1.26 -5.24 105.19 98.20 3knm n GLY 112 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 3knm n GLY 112 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60