#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knk s GLU 2 N 0.00 0.31 -0.08 2.12 -1.05 -1.26 -4.02 118.70 114.73 3knk s GLU 2 Ca 0.00 0.96 -0.06 0.00 -0.15 0.00 0.00 54.97 55.72 3knk s GLU 2 Cb 0.00 0.23 -0.04 0.00 -0.44 0.00 0.00 34.13 33.88 3knk s GLU 2 CO 0.00 -0.24 0.17 0.00 0.95 0.00 0.00 175.26 176.15 3knk s ALA 3 N 2.37 3.89 0.58 -0.84 0.00 -1.20 -5.01 121.76 121.55 3knk s ALA 3 Ca -0.03 -0.65 0.07 0.00 0.00 0.00 0.00 51.96 51.35 3knk s ALA 3 Cb -0.11 -1.97 0.08 0.00 0.00 0.00 0.00 23.12 21.12 3knk s ALA 3 CO -0.12 0.65 0.80 0.15 0.00 0.00 0.00 175.76 177.24 3knk s LYS 4 N -1.33 2.26 0.30 0.00 1.02 -1.26 -3.24 119.74 117.48 3knk s LYS 4 Ca 0.20 -1.44 -0.19 0.00 0.02 0.00 0.00 55.97 54.55 3knk s LYS 4 Cb -0.12 -2.59 0.05 0.00 -0.52 0.00 0.00 37.83 34.64 3knk s LYS 4 CO 0.09 -0.89 0.83 0.00 -0.92 0.00 0.00 175.35 174.46 3knk s ALA 5 N -2.72 -1.10 -0.25 5.17 0.00 -1.22 -4.84 121.76 116.80 3knk s ALA 5 Ca 0.62 -0.48 -0.26 0.00 0.00 0.00 0.00 51.96 51.84 3knk s ALA 5 Cb -0.06 0.73 0.09 0.00 0.00 0.00 0.00 23.12 23.88 3knk s ALA 5 CO 0.39 -1.02 0.85 0.42 0.00 0.00 0.00 175.76 176.41 3knk s ILE 6 N -2.80 0.00 -0.54 0.00 1.01 -1.26 -4.32 121.20 113.30 3knk s ILE 6 Ca 0.15 0.00 0.04 0.00 0.00 0.00 0.00 60.65 60.84 3knk s ILE 6 Cb -0.05 -1.00 0.13 0.00 0.01 0.00 0.00 42.46 41.56 3knk s ILE 6 CO 0.08 0.00 0.28 0.00 0.00 0.00 0.00 174.94 175.31 3knk s ALA 7 N 0.08 3.35 0.17 9.38 0.00 0.41 -4.93 121.76 130.22 3knk s ALA 7 Ca 0.00 -3.30 -0.05 0.00 0.00 0.00 0.00 51.96 48.60 3knk s ALA 7 Cb -0.04 -2.20 -0.06 0.00 0.00 0.00 0.00 23.12 20.82 3knk s ALA 7 CO -0.01 -2.03 0.42 1.03 0.00 0.00 0.00 175.76 175.17 3knk s ARG 8 N -0.34 3.64 -0.27 0.00 0.52 -1.26 0.39 118.95 121.64 3knk s ARG 8 Ca 0.17 -0.04 -0.18 0.00 -0.52 0.00 0.00 55.73 55.16 3knk s ARG 8 Cb -0.25 -2.80 0.03 0.00 0.52 0.00 0.00 34.95 32.45 3knk s ARG 8 CO -0.01 0.42 0.34 0.66 0.02 0.00 0.00 175.30 176.73 3knk n TYR 9 N -0.09 -1.93 -0.13 -0.53 0.53 -1.08 -4.94 117.16 109.00 3knk n TYR 9 Ca -0.02 0.81 -0.26 0.00 -1.02 0.00 0.00 57.90 57.41 3knk n TYR 9 Cb 0.52 -1.98 -0.10 0.00 -1.03 0.00 0.00 39.34 36.75 3knk n TYR 9 CO 0.00 0.00 0.00 0.28 -1.02 0.00 0.00 176.86 176.12 3knk n VAL 10 N 0.44 1.53 -1.02 -0.72 0.31 0.84 -4.93 118.33 114.79 3knk n VAL 10 Ca -0.02 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.06 3knk n VAL 10 Cb 0.52 -1.96 0.00 0.00 -0.91 0.00 0.00 33.84 31.49 3knk n VAL 10 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3knk n ARG 11 N -4.32 0.00 -3.91 5.55 0.00 -1.26 -4.88 116.66 107.84 3knk n ARG 11 Ca -0.46 0.00 -0.09 0.00 -0.00 0.00 0.00 57.85 57.30 3knk n ARG 11 Cb 0.80 -1.26 -0.06 0.00 0.00 0.00 0.00 32.46 31.94 3knk n ARG 11 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.63 176.13 3knk s ILE 12 N -2.07 0.07 -0.25 5.15 2.07 -1.23 -4.96 121.20 119.97 3knk s ILE 12 Ca 0.00 -1.26 -0.11 0.00 -1.41 0.00 0.00 60.65 57.86 3knk s ILE 12 Cb 0.00 -1.75 -0.05 0.00 0.13 0.00 0.00 42.46 40.79 3knk s ILE 12 CO 0.00 -0.30 0.20 -0.55 -1.91 0.00 0.00 174.94 172.38 3knk s SER 13 N -2.94 6.12 0.07 4.50 0.15 -1.26 -2.80 113.70 117.54 3knk s SER 13 Ca 0.15 0.11 -0.13 0.00 0.70 0.00 0.00 55.95 56.78 3knk s SER 13 Cb 0.03 -2.12 -0.03 0.00 -1.71 0.00 0.00 66.02 62.18 3knk s SER 13 CO -0.01 0.00 0.94 -2.65 1.20 0.00 0.00 173.24 172.72 3knk n PRO 14 N 4.61 -0.18 -0.36 5.44 -0.02 -1.26 0.51 135.00 143.73 3knk n PRO 14 Ca -0.14 0.93 0.26 0.00 -2.02 0.00 0.00 63.50 62.53 3knk n PRO 14 Cb 0.52 -1.38 0.52 0.00 -0.02 0.00 0.00 33.50 33.14 3knk n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3knk h ARG 15 N 0.00 0.32 -0.48 -0.52 3.08 -1.97 0.25 114.38 115.06 3knk h ARG 15 Ca 0.07 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.07 3knk h ARG 15 Cb 0.17 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 3knk h ARG 15 CO -0.39 0.21 0.20 0.87 -1.07 0.00 0.00 179.97 179.78 3knk h LYS 16 N 0.33 0.69 0.04 0.04 1.79 -0.35 -3.34 116.57 115.76 3knk h LYS 16 Ca 0.69 -0.10 -0.37 0.00 -2.18 0.00 0.00 60.65 58.70 3knk h LYS 16 Cb 1.76 -0.13 -0.05 0.00 -1.58 0.00 0.00 32.23 32.23 3knk h LYS 16 CO -0.43 0.57 -2.09 1.33 -1.08 0.00 0.00 179.45 177.75 3knk n VAL 17 N -4.36 1.59 -0.41 0.50 0.24 0.84 -4.26 118.33 112.48 3knk n VAL 17 Ca 0.04 -0.43 0.34 0.00 -2.04 0.00 0.00 64.34 62.24 3knk n VAL 17 Cb 0.15 -1.75 0.61 0.00 -1.47 0.00 0.00 33.84 31.38 3knk n VAL 17 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 3knk h ARG 18 N -0.43 0.11 -0.06 7.34 3.08 -1.55 7.91 114.38 130.77 3knk h ARG 18 Ca -0.51 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 59.55 3knk h ARG 18 Cb 1.74 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 31.76 3knk h ARG 18 CO -0.14 0.08 0.53 -0.07 -1.07 0.00 0.00 179.97 179.29 3knk h LEU 19 N 0.12 0.00 0.00 3.04 4.07 -1.74 -1.43 115.31 119.36 3knk h LEU 19 Ca 0.80 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.76 3knk h LEU 19 Cb 2.36 0.00 0.00 0.00 1.08 0.00 0.00 40.66 44.10 3knk h LEU 19 CO -0.49 0.00 -0.44 0.52 -1.08 0.00 0.00 178.44 176.95 3knk n VAL 20 N -2.87 0.80 0.00 1.22 0.31 2.53 -4.29 118.33 116.02 3knk n VAL 20 Ca 0.00 0.32 0.00 0.00 -0.01 0.00 0.00 64.34 64.65 3knk n VAL 20 Cb 0.59 -1.97 0.00 0.00 -0.91 0.00 0.00 33.84 31.54 3knk n VAL 20 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 3knk n VAL 21 N -3.56 0.00 0.00 2.52 0.31 -0.89 0.15 118.33 116.86 3knk n VAL 21 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 3knk n VAL 21 Cb 0.23 -0.74 0.00 0.00 -0.91 0.00 0.00 33.84 32.42 3knk n VAL 21 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 3knk n ASP 22 N -0.59 0.58 0.11 4.52 10.43 -0.58 -3.83 116.55 127.19 3knk n ASP 22 Ca 0.00 -0.79 -0.20 0.00 2.57 0.00 0.00 54.79 56.37 3knk n ASP 22 Cb 0.00 0.42 -0.15 0.00 1.84 0.00 0.00 41.12 43.23 3knk n ASP 22 CO 0.00 0.00 0.00 -0.07 -1.07 0.00 0.00 177.20 176.06 3knk h LEU 23 N 0.00 0.58 -3.02 0.64 4.07 0.12 -3.33 115.31 114.37 3knk h LEU 23 Ca 0.00 -0.67 0.00 0.00 0.08 0.00 0.00 57.88 57.29 3knk h LEU 23 Cb 0.00 -0.19 0.00 0.00 1.08 0.00 0.00 40.66 41.55 3knk h LEU 23 CO 0.00 1.53 0.00 2.30 -1.08 0.00 0.00 178.44 181.19 3knk n ILE 24 N -3.59 1.54 -2.42 1.22 -5.35 -1.21 -4.91 119.36 104.64 3knk n ILE 24 Ca -0.14 -1.19 -0.43 0.00 -0.27 0.00 0.00 62.75 60.71 3knk n ILE 24 Cb 1.06 0.24 -0.02 0.00 -1.74 0.00 0.00 39.64 39.18 3knk n ILE 24 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 3knk s ARG 25 N -1.61 3.67 0.00 6.28 3.52 -1.25 -3.44 118.95 126.13 3knk s ARG 25 Ca 0.44 0.91 0.00 0.00 -0.13 0.00 0.00 55.73 56.95 3knk s ARG 25 Cb 0.27 -3.97 0.00 0.00 -1.56 0.00 0.00 34.95 29.69 3knk s ARG 25 CO 0.23 -1.44 0.00 0.41 -0.81 0.00 0.00 175.30 173.69 3knk n GLY 26 N 4.87 0.82 3.85 8.12 0.00 -0.84 -5.03 105.19 116.98 3knk n GLY 26 Ca 0.15 -0.31 -0.28 0.00 0.00 0.00 0.00 46.02 45.58 3knk n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3knk s LYS 27 N -0.59 2.25 0.24 1.61 1.02 -1.22 -4.65 119.74 118.39 3knk s LYS 27 Ca 0.00 -2.08 -0.30 0.00 0.02 0.00 0.00 55.97 53.61 3knk s LYS 27 Cb 0.00 -1.96 -0.11 0.00 -0.52 0.00 0.00 37.83 35.25 3knk s LYS 27 CO 0.00 -0.48 1.53 0.45 -0.92 0.00 0.00 175.35 175.93 3knk s SER 28 N -4.14 6.54 0.39 2.83 0.15 -1.26 0.91 113.70 119.12 3knk s SER 28 Ca 0.28 2.75 0.18 0.00 0.70 0.00 0.00 55.95 59.86 3knk s SER 28 Cb -0.01 -2.62 1.08 0.00 -1.71 0.00 0.00 66.02 62.77 3knk s SER 28 CO 0.17 -0.81 1.77 0.25 1.20 0.00 0.00 173.24 175.82 3knk h LEU 29 N 5.48 0.47 -0.30 3.45 5.85 -1.28 1.01 115.31 129.99 3knk h LEU 29 Ca -0.45 0.09 -0.20 0.00 0.84 0.00 0.00 57.88 58.16 3knk h LEU 29 Cb 1.21 0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.26 3knk h LEU 29 CO 0.82 0.09 -0.67 -0.08 -0.34 0.00 0.00 178.44 178.26 3knk h GLU 30 N 0.41 0.71 0.61 1.25 4.22 -1.89 -2.91 114.58 116.99 3knk h GLU 30 Ca 0.60 -0.52 -0.03 0.00 0.08 0.00 0.00 59.36 59.49 3knk h GLU 30 Cb 1.48 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.83 3knk h GLU 30 CO -0.31 1.14 -0.34 1.49 -2.18 0.00 0.00 179.01 178.81 3knk h GLU 31 N 0.51 -0.86 -0.43 1.92 4.57 0.58 -2.61 114.58 118.27 3knk h GLU 31 Ca -0.02 0.06 0.09 0.00 -1.18 0.00 0.00 59.36 58.30 3knk h GLU 31 Cb 1.28 0.19 -0.09 0.00 -0.16 0.00 0.00 28.75 29.97 3knk h GLU 31 CO 0.14 -0.57 -0.27 0.00 -1.18 0.00 0.00 179.01 177.13 3knk h ALA 32 N -0.54 -0.01 -0.95 2.92 0.00 -0.90 -1.05 119.26 118.73 3knk h ALA 32 Ca -0.08 0.14 0.21 0.00 0.00 0.00 0.00 54.91 55.18 3knk h ALA 32 Cb 0.70 0.61 -0.12 0.00 0.00 0.00 0.00 17.79 18.99 3knk h ALA 32 CO 0.10 -0.64 0.51 0.00 0.00 0.00 0.00 179.25 179.23 3knk h ARG 33 N -0.18 0.55 0.16 0.00 3.08 -1.33 0.32 114.38 116.98 3knk h ARG 33 Ca 0.20 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.21 3knk h ARG 33 Cb 0.50 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.42 3knk h ARG 33 CO -0.54 0.36 -0.08 -0.91 -1.07 0.00 0.00 179.97 177.74 3knk h ASN 34 N 0.57 -0.18 -0.15 7.04 4.21 -0.85 -2.73 115.58 123.48 3knk h ASN 34 Ca 0.58 -0.35 0.02 0.00 1.21 0.00 0.00 56.30 57.76 3knk h ASN 34 Cb 1.03 0.05 -0.02 0.00 -1.12 0.00 0.00 38.32 38.26 3knk h ASN 34 CO -0.46 0.32 0.04 0.40 -1.29 0.00 0.00 177.43 176.44 3knk h ILE 35 N -0.76 0.95 0.00 2.81 2.04 -0.73 -1.55 117.51 120.27 3knk h ILE 35 Ca -0.02 -0.04 -0.01 0.00 1.00 0.00 0.00 64.86 65.79 3knk h ILE 35 Cb 0.52 0.83 -0.00 0.00 -0.74 0.00 0.00 36.82 37.43 3knk h ILE 35 CO 0.04 0.02 -0.03 -0.07 0.00 0.00 0.00 178.15 178.11 3knk h LEU 36 N 0.11 0.00 -1.54 1.44 3.38 -0.50 -1.39 115.31 116.81 3knk h LEU 36 Ca 0.07 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 3knk h LEU 36 Cb 0.05 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 3knk h LEU 36 CO -0.08 0.03 -0.14 -0.09 0.09 0.00 0.00 178.44 178.25 3knk h ARG 37 N 0.00 0.00 0.00 1.13 9.65 -0.94 -3.31 114.38 120.91 3knk h ARG 37 Ca -0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 3knk h ARG 37 Cb 0.12 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.70 3knk h ARG 37 CO 0.00 0.14 0.00 0.66 2.80 0.00 0.00 179.97 183.57 3knk n TYR 38 N -3.39 0.00 -2.27 2.20 4.01 -0.58 -4.95 117.16 112.18 3knk n TYR 38 Ca -0.01 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.36 3knk n TYR 38 Cb 0.33 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.32 3knk n TYR 38 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 3knk s THR 39 N -0.06 3.56 -0.73 -0.72 2.01 -0.84 -4.89 115.64 113.98 3knk s THR 39 Ca 0.00 0.05 -0.25 0.00 0.31 0.00 0.00 61.69 61.80 3knk s THR 39 Cb 0.00 -4.40 -0.14 0.00 0.01 0.00 0.00 72.50 67.98 3knk s THR 39 CO 0.00 -1.34 2.41 -3.20 -0.69 0.00 0.00 174.62 171.80 3knk n ASN 40 N 11.41 1.72 -3.46 3.53 5.15 -1.26 -4.75 115.26 127.59 3knk n ASN 40 Ca 0.20 -1.15 0.01 0.00 -0.60 0.00 0.00 54.58 53.03 3knk n ASN 40 Cb 0.50 -1.57 -0.04 0.00 -0.53 0.00 0.00 39.78 38.14 3knk n ASN 40 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3knk s LYS 41 N 8.66 0.35 0.14 1.20 -0.14 -1.26 -5.06 119.74 123.63 3knk s LYS 41 Ca 0.98 0.85 -0.12 0.00 -1.36 0.00 0.00 55.97 56.31 3knk s LYS 41 Cb -0.21 0.48 0.13 0.00 -1.68 0.00 0.00 37.83 36.55 3knk s LYS 41 CO 0.16 -0.12 0.98 -2.13 -0.76 0.00 0.00 175.35 173.49 3knk n ARG 42 N 4.95 -0.16 -0.26 1.68 0.63 -1.26 -0.68 116.66 121.55 3knk n ARG 42 Ca -0.10 0.97 0.24 0.00 -0.92 0.00 0.00 57.85 58.03 3knk n ARG 42 Cb 0.52 -1.44 0.58 0.00 0.45 0.00 0.00 32.46 32.57 3knk n ARG 42 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 3knk h GLY 43 N 0.00 0.71 -0.38 5.14 0.00 -1.95 -2.79 103.07 103.81 3knk h GLY 43 Ca 0.21 -0.14 0.04 0.00 0.00 0.00 0.00 47.33 47.44 3knk h GLY 43 CO -0.62 -0.04 -0.33 0.00 0.00 0.00 0.00 176.54 175.55 3knk h ALA 44 N 1.58 -0.47 -0.73 3.60 0.00 -1.20 0.62 119.26 122.66 3knk h ALA 44 Ca 0.51 0.03 0.14 0.00 0.00 0.00 0.00 54.91 55.58 3knk h ALA 44 Cb 1.49 1.06 -0.13 0.00 0.00 0.00 0.00 17.79 20.21 3knk h ALA 44 CO -0.16 -0.66 -0.21 0.98 0.00 0.00 0.00 179.25 179.20 3knk n TYR 45 N -4.26 0.20 0.22 0.00 9.36 -1.05 0.51 117.16 122.14 3knk n TYR 45 Ca -0.01 0.90 0.07 0.00 3.32 0.00 0.00 57.90 62.17 3knk n TYR 45 Cb 0.18 -0.89 0.49 0.00 -0.63 0.00 0.00 39.34 38.49 3knk n TYR 45 CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 3knk h PHE 46 N 0.00 0.00 -0.16 2.98 0.04 -0.16 -2.04 116.94 117.60 3knk h PHE 46 Ca 0.33 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.10 3knk h PHE 46 Cb 0.51 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.66 3knk h PHE 46 CO -0.58 0.27 0.00 0.28 -0.60 0.00 0.00 178.31 177.67 3knk n VAL 47 N -3.88 0.56 0.00 -0.55 0.31 1.92 -3.39 118.33 113.30 3knk n VAL 47 Ca -0.02 -0.33 0.00 0.00 -0.01 0.00 0.00 64.34 63.99 3knk n VAL 47 Cb 0.35 -0.26 0.00 0.00 -0.91 0.00 0.00 33.84 33.02 3knk n VAL 47 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3knk n ALA 48 N 0.13 0.37 -0.07 3.52 0.00 -0.55 -4.19 120.51 119.71 3knk n ALA 48 Ca 0.07 -0.19 -0.02 0.00 0.00 0.00 0.00 53.44 53.30 3knk n ALA 48 Cb 0.39 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.82 3knk n ALA 48 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3knk n LYS 49 N -2.37 -0.08 -0.10 0.00 4.76 -1.22 0.55 118.16 119.71 3knk n LYS 49 Ca 0.00 0.53 -0.05 0.00 -2.87 0.00 0.00 58.31 55.92 3knk n LYS 49 Cb 0.00 -0.79 -0.04 0.00 -1.84 0.00 0.00 35.03 32.36 3knk n LYS 49 CO 0.00 0.00 0.00 -0.24 -1.37 0.00 0.00 177.40 175.79 3knk h VAL 50 N 0.00 0.00 0.01 -0.18 3.04 -1.83 0.94 116.25 118.23 3knk h VAL 50 Ca 0.03 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.72 3knk h VAL 50 Cb 0.07 0.00 -0.01 0.00 -2.01 0.00 0.00 31.29 29.35 3knk h VAL 50 CO -0.17 0.00 -0.07 0.25 -1.01 0.00 0.00 177.57 176.57 3knk h LEU 51 N -0.11 -0.22 -1.41 3.16 7.12 -0.06 0.81 115.31 124.61 3knk h LEU 51 Ca 0.04 0.02 0.40 0.00 0.13 0.00 0.00 57.88 58.47 3knk h LEU 51 Cb 0.22 0.08 -0.12 0.00 -0.53 0.00 0.00 40.66 40.31 3knk h LEU 51 CO -0.29 -0.07 0.81 -0.08 -0.13 0.00 0.00 178.44 178.68 3knk h GLU 52 N -0.10 0.14 0.00 1.25 4.57 0.22 3.05 114.58 123.72 3knk h GLU 52 Ca 0.00 -0.01 -0.15 0.00 -1.18 0.00 0.00 59.36 58.03 3knk h GLU 52 Cb 0.10 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.64 3knk h GLU 52 CO -0.04 0.10 -0.70 1.03 -1.18 0.00 0.00 179.01 178.22 3knk h SER 53 N 0.15 0.00 -0.28 1.04 0.87 0.18 -3.09 113.55 112.43 3knk h SER 53 Ca 0.77 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 61.23 3knk h SER 53 Cb 2.34 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 64.30 3knk h SER 53 CO -0.38 0.70 -0.21 0.00 -0.53 0.00 0.00 176.83 176.40 3knk h ALA 54 N 1.30 0.40 -0.59 6.23 0.00 1.22 -3.33 119.26 124.49 3knk h ALA 54 Ca -0.01 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3knk h ALA 54 Cb 1.53 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.23 3knk h ALA 54 CO 0.09 0.35 0.00 0.00 0.00 0.00 0.00 179.25 179.69 3knk n ALA 55 N -2.47 -0.29 -0.11 0.00 0.00 0.12 -3.06 120.51 114.69 3knk n ALA 55 Ca -0.04 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.38 3knk n ALA 55 Cb 0.42 0.12 -0.01 0.00 0.00 0.00 0.00 19.45 19.98 3knk n ALA 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3knk n ALA 56 N -1.95 1.59 0.00 0.00 0.00 -1.17 0.96 120.51 119.94 3knk n ALA 56 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.18 3knk n ALA 56 Cb 0.00 -2.41 0.00 0.00 0.00 0.00 0.00 19.45 17.04 3knk n ALA 56 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3knk n ASN 57 N 3.82 0.00 -0.30 0.00 5.03 -1.17 -4.44 115.26 118.19 3knk n ASN 57 Ca 0.06 0.00 0.04 0.00 0.87 0.00 0.00 54.58 55.55 3knk n ASN 57 Cb 0.06 0.06 0.19 0.00 -1.02 0.00 0.00 39.78 39.07 3knk n ASN 57 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3knk h ALA 58 N 0.00 1.24 -1.03 5.41 0.00 0.56 -1.86 119.26 123.59 3knk h ALA 58 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3knk h ALA 58 Cb 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3knk h ALA 58 CO 0.00 0.09 0.00 0.28 0.00 0.00 0.00 179.25 179.62 3knk n VAL 59 N -4.75 0.00 -0.27 0.00 0.31 -1.21 0.45 118.33 112.87 3knk n VAL 59 Ca 0.15 0.33 0.08 0.00 -0.01 0.00 0.00 64.34 64.89 3knk n VAL 59 Cb 0.32 -1.04 0.22 0.00 -0.91 0.00 0.00 33.84 32.43 3knk n VAL 59 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 3knk h ASN 60 N 0.00 0.07 0.00 4.52 -0.26 -1.78 0.65 115.58 118.78 3knk h ASN 60 Ca 0.00 0.16 0.00 0.00 -0.56 0.00 0.00 56.30 55.90 3knk h ASN 60 Cb 0.00 0.20 0.00 0.00 -1.06 0.00 0.00 38.32 37.46 3knk h ASN 60 CO 0.00 -0.05 -0.70 0.59 -1.06 0.00 0.00 177.43 176.21 3knk n ASN 61 N -5.15 0.85 0.00 5.81 5.03 -1.08 -4.64 115.26 116.08 3knk n ASN 61 Ca 0.17 -0.63 0.00 0.00 0.87 0.00 0.00 54.58 54.99 3knk n ASN 61 Cb 0.53 1.09 0.00 0.00 -1.02 0.00 0.00 39.78 40.38 3knk n ASN 61 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 3knk n HIS 62 N -1.37 0.00 -1.83 3.10 8.25 -0.72 -5.04 115.22 117.60 3knk n HIS 62 Ca 0.01 -0.09 -0.05 0.00 -0.26 0.00 0.00 57.72 57.34 3knk n HIS 62 Cb 0.20 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.30 3knk n HIS 62 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 3knk n ASP 63 N -0.09 -2.86 0.00 0.41 5.75 0.23 -4.80 116.55 115.19 3knk n ASP 63 Ca 0.00 0.12 0.00 0.00 -0.01 0.00 0.00 54.79 54.90 3knk n ASP 63 Cb 0.17 -0.72 0.00 0.00 -1.03 0.00 0.00 41.12 39.54 3knk n ASP 63 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 3knk n MET 64 N 0.62 0.75 -1.52 0.11 2.81 0.17 -4.90 117.12 115.15 3knk n MET 64 Ca -0.01 -0.71 -0.00 0.00 -1.81 0.00 0.00 57.70 55.17 3knk n MET 64 Cb 0.25 -0.74 -0.00 0.00 -0.71 0.00 0.00 33.22 32.02 3knk n MET 64 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 3knk n LEU 65 N -0.15 -2.10 -0.13 4.03 0.00 -1.26 -4.73 117.00 112.66 3knk n LEU 65 Ca 0.00 0.04 0.27 0.00 0.00 0.00 0.00 56.01 56.32 3knk n LEU 65 Cb 0.29 -1.05 0.57 0.00 0.00 0.00 0.00 43.42 43.24 3knk n LEU 65 CO 0.00 -0.08 1.25 -0.08 0.00 0.00 0.00 177.39 178.48 3knk h GLU 66 N 0.08 0.00 0.00 1.96 4.81 -1.96 -2.56 114.58 116.90 3knk h GLU 66 Ca -0.01 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.15 3knk h GLU 66 Cb 0.02 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 3knk h GLU 66 CO 0.00 0.00 -0.41 -0.44 -0.73 0.00 0.00 179.01 177.43 3knk h ASP 67 N 0.00 0.00 0.00 1.04 3.32 -2.04 -3.36 116.42 115.38 3knk h ASP 67 Ca 0.41 -0.66 -0.13 0.00 0.02 0.00 0.00 57.03 56.67 3knk h ASP 67 Cb 2.31 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 41.83 3knk h ASP 67 CO -0.00 1.07 0.36 0.54 -1.72 0.00 0.00 179.24 179.48 3knk n ARG 68 N -4.58 1.17 -5.08 3.56 5.12 -0.96 -4.83 116.66 111.05 3knk n ARG 68 Ca -0.15 -0.64 -0.31 0.00 -1.93 0.00 0.00 57.85 54.82 3knk n ARG 68 Cb 0.47 -1.85 -0.15 0.00 -1.16 0.00 0.00 32.46 29.77 3knk n ARG 68 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3knk s LEU 69 N 0.01 2.17 0.29 0.55 1.43 -1.26 -2.15 118.68 119.72 3knk s LEU 69 Ca 0.35 -0.50 -0.10 0.00 -1.03 0.00 0.00 54.13 52.85 3knk s LEU 69 Cb 0.16 -1.34 0.00 0.00 0.03 0.00 0.00 46.19 45.04 3knk s LEU 69 CO -0.00 0.29 0.51 -0.72 0.23 0.00 0.00 176.35 176.66 3knk s TYR 70 N -0.72 0.55 -0.66 0.29 -0.00 -1.14 -0.86 117.35 114.81 3knk s TYR 70 Ca 0.11 -0.90 -0.24 0.00 -0.00 0.00 0.00 57.07 56.03 3knk s TYR 70 Cb -0.10 0.18 0.05 0.00 -0.00 0.00 0.00 41.96 42.09 3knk s TYR 70 CO 0.01 -1.10 1.05 0.08 -0.00 0.00 0.00 175.55 175.59 3knk s VAL 71 N -3.55 4.16 0.15 -3.49 1.01 0.26 -2.24 120.40 116.71 3knk s VAL 71 Ca 0.24 0.01 -0.05 0.00 0.00 0.00 0.00 61.98 62.18 3knk s VAL 71 Cb -0.01 -4.72 -0.12 0.00 0.00 0.00 0.00 36.38 31.53 3knk s VAL 71 CO 0.13 -1.50 1.39 0.50 0.00 0.00 0.00 175.10 175.62 3knk h LYS 72 N 9.64 0.55 -0.41 2.72 1.63 -1.56 -2.23 116.57 126.90 3knk h LYS 72 Ca -0.28 -0.44 0.24 0.00 -0.85 0.00 0.00 60.65 59.32 3knk h LYS 72 Cb 1.06 0.09 -0.29 0.00 -0.60 0.00 0.00 32.23 32.49 3knk h LYS 72 CO 1.19 1.07 0.60 0.00 -3.45 0.00 0.00 179.45 178.86 3knk s ALA 73 N -3.68 -3.10 0.45 5.00 0.00 -0.94 -4.86 121.76 114.64 3knk s ALA 73 Ca -0.07 1.85 0.05 0.00 0.00 0.00 0.00 51.96 53.78 3knk s ALA 73 Cb 0.10 -2.20 -0.05 0.00 0.00 0.00 0.00 23.12 20.97 3knk s ALA 73 CO 0.86 -0.78 0.05 0.00 0.00 0.00 0.00 175.76 175.90 3knk s ALA 74 N 1.75 3.61 0.00 0.00 0.00 -1.26 -1.32 121.76 124.54 3knk s ALA 74 Ca -0.02 -1.58 0.00 0.00 0.00 0.00 0.00 51.96 50.36 3knk s ALA 74 Cb -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 23.12 23.11 3knk s ALA 74 CO -0.14 -0.11 0.00 2.48 0.00 0.00 0.00 175.76 177.99 3knk n TYR 75 N -1.15 0.00 -4.95 0.00 4.11 0.12 -4.98 117.16 110.31 3knk n TYR 75 Ca -0.09 0.00 -0.33 0.00 -0.00 0.00 0.00 57.90 57.48 3knk n TYR 75 Cb 0.67 0.00 -0.15 0.00 -0.00 0.00 0.00 39.34 39.85 3knk n TYR 75 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 3knk s VAL 76 N -0.29 2.68 0.24 -3.48 0.11 -1.26 -1.78 120.40 116.62 3knk s VAL 76 Ca 0.00 -0.80 0.07 0.00 -2.93 0.00 0.00 61.98 58.33 3knk s VAL 76 Cb 0.00 -2.09 -0.04 0.00 -1.53 0.00 0.00 36.38 32.72 3knk s VAL 76 CO 0.00 0.54 0.12 -1.81 -3.33 0.00 0.00 175.10 170.62 3knk s ASP 77 N 0.31 5.19 0.27 3.54 1.11 -0.30 -4.96 116.67 121.84 3knk s ASP 77 Ca -0.13 -0.35 -0.20 0.00 0.18 0.00 0.00 52.55 52.04 3knk s ASP 77 Cb -0.17 -1.22 -0.09 0.00 1.07 0.00 0.00 42.92 42.51 3knk s ASP 77 CO 0.07 -0.00 0.79 -0.70 1.18 0.00 0.00 175.17 176.50 3knk s GLU 78 N -3.62 4.29 0.26 8.23 2.12 -1.26 -1.46 118.70 127.25 3knk s GLU 78 Ca 0.32 0.96 0.05 0.00 0.36 0.00 0.00 54.97 56.65 3knk s GLU 78 Cb -0.08 -2.75 -0.05 0.00 0.26 0.00 0.00 34.13 31.50 3knk s GLU 78 CO 0.23 0.31 -0.03 0.20 -0.54 0.00 0.00 175.26 175.43 3knk s GLY 79 N -1.77 1.70 -0.69 -1.50 0.00 -0.75 -4.78 107.32 99.53 3knk s GLY 79 Ca 0.47 -1.84 -0.15 0.00 0.00 0.00 0.00 44.72 43.20 3knk s GLY 79 CO 0.21 -1.76 1.72 -1.55 0.00 0.00 0.00 173.10 171.72 3knk n PRO 80 N -0.51 0.00 -1.00 2.90 -0.04 -1.26 -3.90 135.00 131.19 3knk n PRO 80 Ca -0.05 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.11 3knk n PRO 80 Cb 0.64 -0.90 0.16 0.00 -0.04 0.00 0.00 33.50 33.36 3knk n PRO 80 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3knk s ALA 81 N 3.65 1.22 -0.27 0.55 0.00 -1.26 -4.77 121.76 120.87 3knk s ALA 81 Ca 0.93 0.06 0.03 0.00 0.00 0.00 0.00 51.96 52.98 3knk s ALA 81 Cb -0.76 -3.25 0.07 0.00 0.00 0.00 0.00 23.12 19.18 3knk s ALA 81 CO 0.36 -2.66 -0.08 -0.51 0.00 0.00 0.00 175.76 172.87 3knk s LEU 82 N -6.45 3.65 -0.03 0.00 1.43 0.27 -4.98 118.68 112.57 3knk s LEU 82 Ca 0.65 -1.51 -0.29 0.00 -1.03 0.00 0.00 54.13 51.95 3knk s LEU 82 Cb -0.20 -1.56 -0.03 0.00 0.03 0.00 0.00 46.19 44.43 3knk s LEU 82 CO 0.58 -0.22 0.94 -0.54 0.23 0.00 0.00 176.35 177.35 3knk s LYS 83 N 1.07 4.52 0.32 1.70 1.02 -1.26 -0.03 119.74 127.08 3knk s LYS 83 Ca -0.06 1.33 0.08 0.00 0.02 0.00 0.00 55.97 57.34 3knk s LYS 83 Cb -0.20 -3.47 -0.03 0.00 -0.52 0.00 0.00 37.83 33.61 3knk s LYS 83 CO -0.05 -0.08 0.25 1.03 -0.92 0.00 0.00 175.35 175.57 3knk s ARG 84 N 1.17 2.69 0.54 1.68 1.81 0.87 -4.93 118.95 122.77 3knk s ARG 84 Ca 0.49 -1.30 0.03 0.00 -1.72 0.00 0.00 55.73 53.23 3knk s ARG 84 Cb -0.20 -2.44 0.04 0.00 -0.45 0.00 0.00 34.95 31.90 3knk s ARG 84 CO 0.25 0.15 0.75 0.54 -0.68 0.00 0.00 175.30 176.30 3knk s VAL 85 N -2.30 2.67 -0.30 3.52 0.11 -1.26 -0.29 120.40 122.55 3knk s VAL 85 Ca 0.39 -0.75 -0.13 0.00 -2.93 0.00 0.00 61.98 58.56 3knk s VAL 85 Cb -0.06 -2.92 0.18 0.00 -1.53 0.00 0.00 36.38 32.05 3knk s VAL 85 CO 0.26 0.00 1.02 -0.22 -3.33 0.00 0.00 175.10 172.83 3knk s LEU 86 N -4.70 -0.52 0.41 2.54 2.96 -0.42 -4.51 118.68 114.43 3knk s LEU 86 Ca 0.58 0.43 -0.25 0.00 -0.22 0.00 0.00 54.13 54.67 3knk s LEU 86 Cb -0.10 1.48 -0.08 0.00 0.50 0.00 0.00 46.19 47.99 3knk s LEU 86 CO 0.38 -0.10 1.18 -2.16 -1.32 0.00 0.00 176.35 174.33 3knk s PRO 87 N 2.77 4.01 0.29 0.98 0.04 -1.26 0.89 135.00 142.73 3knk s PRO 87 Ca 0.00 1.87 0.03 0.00 0.04 0.00 0.00 61.00 62.94 3knk s PRO 87 Cb -0.09 -2.66 -0.01 0.00 0.04 0.00 0.00 34.50 31.78 3knk s PRO 87 CO -0.13 -0.36 0.12 0.54 0.04 0.00 0.00 177.00 177.20 3knk n ARG 88 N 0.02 0.62 -1.94 4.56 5.12 -1.26 -4.79 116.66 118.99 3knk n ARG 88 Ca 0.05 -2.51 -0.33 0.00 -1.93 0.00 0.00 57.85 53.12 3knk n ARG 88 Cb 0.46 1.47 0.03 0.00 -1.16 0.00 0.00 32.46 33.26 3knk n ARG 88 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3knk s ALA 89 N -2.84 2.59 -0.72 7.54 0.00 -1.26 -3.99 121.76 123.09 3knk s ALA 89 Ca 0.17 0.55 -0.02 0.00 0.00 0.00 0.00 51.96 52.66 3knk s ALA 89 Cb 0.01 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 19.83 3knk s ALA 89 CO 0.12 -1.04 0.68 0.54 0.00 0.00 0.00 175.76 176.06 3knk n ARG 90 N -2.10 -1.45 -3.16 0.00 5.12 -1.26 -3.46 116.66 110.35 3knk n ARG 90 Ca 0.10 1.48 -0.20 0.00 -1.93 0.00 0.00 57.85 57.30 3knk n ARG 90 Cb 0.52 -5.34 -0.04 0.00 -1.16 0.00 0.00 32.46 26.44 3knk n ARG 90 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3knk n GLY 91 N -1.60 -0.17 0.00 -0.13 0.00 -1.26 -4.85 105.19 97.19 3knk n GLY 91 Ca -0.02 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3knk n GLY 91 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3knk n ARG 92 N -2.46 0.00 -1.54 1.61 0.63 -1.22 -5.01 116.66 108.66 3knk n ARG 92 Ca 0.00 0.00 -0.00 0.00 -0.92 0.00 0.00 57.85 56.93 3knk n ARG 92 Cb 0.26 -0.45 0.00 0.00 0.45 0.00 0.00 32.46 32.72 3knk n ARG 92 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3knk n ALA 93 N -1.24 -3.02 -1.93 5.13 0.00 -1.26 -4.88 120.51 113.32 3knk n ALA 93 Ca 0.00 0.02 -0.26 0.00 0.00 0.00 0.00 53.44 53.20 3knk n ALA 93 Cb 0.00 -0.05 0.07 0.00 0.00 0.00 0.00 19.45 19.47 3knk n ALA 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3knk s ASP 94 N -0.15 4.83 -0.41 0.00 -0.00 0.26 -4.84 116.67 116.36 3knk s ASP 94 Ca 0.00 0.46 0.02 0.00 -0.00 0.00 0.00 52.55 53.03 3knk s ASP 94 Cb -0.00 -1.12 0.11 0.00 -0.00 0.00 0.00 42.92 41.91 3knk s ASP 94 CO 0.03 -1.59 0.15 0.27 -0.00 0.00 0.00 175.17 174.03 3knk s ILE 95 N -3.24 2.66 0.44 0.77 -4.36 -1.26 -1.31 121.20 114.90 3knk s ILE 95 Ca 0.60 -2.50 -0.21 0.00 -0.26 0.00 0.00 60.65 58.28 3knk s ILE 95 Cb -0.11 -2.89 -0.10 0.00 1.25 0.00 0.00 42.46 40.61 3knk s ILE 95 CO 0.45 -0.68 0.97 -0.51 0.24 0.00 0.00 174.94 175.41 3knk s ILE 96 N 0.67 4.22 -0.09 8.37 1.10 0.60 -4.80 121.20 131.27 3knk s ILE 96 Ca 0.12 1.41 0.00 0.00 -0.51 0.00 0.00 60.65 61.67 3knk s ILE 96 Cb -0.21 -3.58 0.02 0.00 0.15 0.00 0.00 42.46 38.84 3knk s ILE 96 CO -0.05 -0.27 -0.06 -0.54 -2.11 0.00 0.00 174.94 171.90 3knk s LYS 97 N -3.13 1.27 -0.66 3.50 1.02 -1.26 0.30 119.74 120.78 3knk s LYS 97 Ca 0.63 -0.19 -0.27 0.00 0.02 0.00 0.00 55.97 56.16 3knk s LYS 97 Cb -0.11 -1.33 0.02 0.00 -0.52 0.00 0.00 37.83 35.89 3knk s LYS 97 CO 0.15 -0.20 1.34 0.15 -0.92 0.00 0.00 175.35 175.87 3knk s LYS 98 N 1.48 3.23 0.55 1.68 -0.14 0.96 -4.92 119.74 122.59 3knk s LYS 98 Ca -0.00 0.07 -0.08 0.00 -1.36 0.00 0.00 55.97 54.60 3knk s LYS 98 Cb -0.13 -4.15 -0.04 0.00 -1.68 0.00 0.00 37.83 31.83 3knk s LYS 98 CO -0.05 -2.06 0.91 1.03 -0.76 0.00 0.00 175.35 174.43 3knk s ARG 99 N 5.64 3.56 0.32 1.68 0.52 -1.26 -0.57 118.95 128.84 3knk s ARG 99 Ca 0.43 0.47 0.04 0.00 -0.52 0.00 0.00 55.73 56.16 3knk s ARG 99 Cb -0.09 -2.22 -0.02 0.00 0.52 0.00 0.00 34.95 33.14 3knk s ARG 99 CO 0.20 -0.40 0.33 -2.37 0.02 0.00 0.00 175.30 173.08 3knk n THR 100 N -2.52 0.00 -4.10 0.02 5.66 -1.12 -3.52 114.28 108.70 3knk n THR 100 Ca 0.03 -2.10 -0.08 0.00 -3.05 0.00 0.00 64.05 58.86 3knk n THR 100 Cb 0.55 1.12 -0.10 0.00 -1.55 0.00 0.00 70.33 70.34 3knk n THR 100 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 3knk s SER 101 N -3.16 0.49 -0.19 1.09 0.01 -1.18 -1.81 113.70 108.96 3knk s SER 101 Ca 0.34 -1.03 -0.00 0.00 1.31 0.00 0.00 55.95 56.57 3knk s SER 101 Cb 0.01 0.21 0.01 0.00 0.21 0.00 0.00 66.02 66.46 3knk s SER 101 CO 0.24 -0.61 -0.15 -1.00 0.41 0.00 0.00 173.24 172.13 3knk s HIS 102 N -3.93 2.83 -0.11 2.43 3.76 -0.54 -0.11 115.29 119.62 3knk s HIS 102 Ca 0.10 -1.33 0.02 0.00 -0.15 0.00 0.00 55.06 53.70 3knk s HIS 102 Cb 0.08 -1.97 -0.01 0.00 1.11 0.00 0.00 32.58 31.79 3knk s HIS 102 CO -0.08 -0.67 -0.17 0.42 -0.85 0.00 0.00 174.74 173.40 3knk s ILE 103 N 1.25 2.75 -0.06 0.60 1.01 1.29 -1.15 121.20 126.89 3knk s ILE 103 Ca 0.03 -0.78 0.00 0.00 0.00 0.00 0.00 60.65 59.91 3knk s ILE 103 Cb -0.14 -2.12 0.02 0.00 0.01 0.00 0.00 42.46 40.23 3knk s ILE 103 CO -0.08 0.54 -0.04 -0.89 0.00 0.00 0.00 174.94 174.47 3knk s THR 104 N 0.22 0.59 -0.06 2.92 2.01 -0.73 0.16 115.64 120.74 3knk s THR 104 Ca -0.10 -0.11 0.02 0.00 0.31 0.00 0.00 61.69 61.81 3knk s THR 104 Cb -0.16 -0.64 0.01 0.00 0.01 0.00 0.00 72.50 71.72 3knk s THR 104 CO 0.06 0.26 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.43 3knk s VAL 105 N 1.22 1.12 -0.32 3.82 1.01 -1.26 -0.70 120.40 125.29 3knk s VAL 105 Ca -0.06 -0.48 0.02 0.00 0.00 0.00 0.00 61.98 61.46 3knk s VAL 105 Cb -0.14 -1.02 0.10 0.00 0.00 0.00 0.00 36.38 35.31 3knk s VAL 105 CO -0.02 0.35 0.06 0.27 0.00 0.00 0.00 175.10 175.76 3knk s ILE 106 N 0.61 1.66 0.10 2.22 -4.36 -0.43 -3.42 121.20 117.58 3knk s ILE 106 Ca -0.14 -1.87 -0.30 0.00 -0.26 0.00 0.00 60.65 58.08 3knk s ILE 106 Cb -0.15 -2.21 -0.06 0.00 1.25 0.00 0.00 42.46 41.29 3knk s ILE 106 CO 0.03 -0.58 1.13 -0.76 0.24 0.00 0.00 174.94 175.01 3knk s LEU 107 N 1.23 4.41 0.45 0.37 1.02 -1.20 -1.51 118.68 123.45 3knk s LEU 107 Ca 0.09 1.99 0.05 0.00 0.02 0.00 0.00 54.13 56.29 3knk s LEU 107 Cb -0.18 -3.59 -0.04 0.00 0.02 0.00 0.00 46.19 42.40 3knk s LEU 107 CO -0.15 -0.35 0.09 -0.83 0.02 0.00 0.00 176.35 175.14 3knk s GLY 108 N 0.62 2.59 0.38 -3.19 0.00 -0.95 -3.26 107.32 103.51 3knk s GLY 108 Ca 0.54 -1.62 -0.06 0.00 0.00 0.00 0.00 44.72 43.58 3knk s GLY 108 CO 0.31 -2.06 0.23 1.18 0.00 0.00 0.00 173.10 172.76 3knk n GLU 109 N -1.20 -2.71 0.00 2.90 -0.58 -1.26 -2.90 120.64 114.90 3knk n GLU 109 Ca -0.07 -0.38 0.00 0.00 -0.42 0.00 0.00 57.16 56.28 3knk n GLU 109 Cb 0.66 -0.49 0.00 0.00 -0.57 0.00 0.00 31.44 31.04 3knk n GLU 109 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 3knk n LYS 110 N -2.97 0.00 0.00 3.49 3.00 -0.91 -4.37 118.16 116.39 3knk n LYS 110 Ca 0.04 0.18 0.00 0.00 -0.00 0.00 0.00 58.31 58.52 3knk n LYS 110 Cb 0.16 -0.67 0.00 0.00 0.00 0.00 0.00 35.03 34.52 3knk n LYS 110 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.40 175.01 3knk n HIS 111 N -2.29 0.00 0.00 5.64 1.44 -1.26 -5.07 115.22 113.68 3knk n HIS 111 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 3knk n HIS 111 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 3knk n HIS 111 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3knk n GLY 112 N 0.00 0.27 0.00 -1.39 0.00 -1.26 -5.22 105.19 97.58 3knk n GLY 112 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.72 3knk n GLY 112 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60