#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knk s LYS 2 N 0.00 4.25 -0.50 2.12 3.01 -1.26 -4.89 119.74 122.47 3knk s LYS 2 Ca 0.00 2.06 0.05 0.00 -1.01 0.00 0.00 55.97 57.06 3knk s LYS 2 Cb 0.00 -3.63 0.40 0.00 -1.01 0.00 0.00 37.83 33.59 3knk s LYS 2 CO 0.00 -0.64 1.13 2.41 0.51 0.00 0.00 175.35 178.75 3knk n THR 3 N 4.79 2.64 -0.07 2.17 -1.04 -1.26 -4.90 114.28 116.62 3knk n THR 3 Ca 0.14 -5.07 0.05 0.00 -2.04 0.00 0.00 64.05 57.14 3knk n THR 3 Cb 0.43 -1.30 0.09 0.00 -1.82 0.00 0.00 70.33 67.72 3knk n THR 3 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 3knk n TYR 4 N -0.43 0.04 -0.02 -1.42 4.02 -1.26 -4.70 117.16 113.39 3knk n TYR 4 Ca 0.38 0.04 -0.01 0.00 -0.01 0.00 0.00 57.90 58.30 3knk n TYR 4 Cb 0.57 -0.22 -0.00 0.00 -0.02 0.00 0.00 39.34 39.68 3knk n TYR 4 CO 0.00 0.00 0.00 1.55 -1.01 0.00 0.00 176.86 177.40 3knk n VAL 5 N -2.51 0.01 -2.61 -0.72 3.14 -1.26 -4.97 118.33 109.41 3knk n VAL 5 Ca 0.05 -0.00 -0.22 0.00 -2.96 0.00 0.00 64.34 61.20 3knk n VAL 5 Cb 0.21 0.00 0.07 0.00 -1.06 0.00 0.00 33.84 33.06 3knk n VAL 5 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 3knk s PRO 6 N -0.01 2.12 0.20 1.45 0.04 -1.26 -5.12 135.00 132.43 3knk s PRO 6 Ca 0.01 -0.94 0.10 0.00 0.04 0.00 0.00 61.00 60.21 3knk s PRO 6 Cb -0.01 -2.41 -0.04 0.00 0.04 0.00 0.00 34.50 32.07 3knk s PRO 6 CO 0.01 -1.08 -0.13 0.15 0.04 0.00 0.00 177.00 175.99 3knk s LYS 7 N -4.95 1.92 -0.39 4.56 1.02 -1.26 -5.01 119.74 115.62 3knk s LYS 7 Ca 0.62 -1.40 -0.31 0.00 0.02 0.00 0.00 55.97 54.89 3knk s LYS 7 Cb -0.08 -2.04 -0.14 0.00 -0.52 0.00 0.00 37.83 35.05 3knk s LYS 7 CO 0.41 0.41 1.59 1.04 -0.92 0.00 0.00 175.35 177.88 3knk n GLN 8 N -0.08 0.00 -2.08 1.68 6.02 -1.26 -4.92 117.38 116.74 3knk n GLN 8 Ca -0.10 0.00 -0.18 0.00 -0.01 0.00 0.00 57.00 56.70 3knk n GLN 8 Cb 0.56 -1.09 0.10 0.00 1.02 0.00 0.00 30.24 30.83 3knk n GLN 8 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 3knk n VAL 9 N 4.79 0.00 -4.22 5.09 0.24 -1.26 -5.10 118.33 117.87 3knk n VAL 9 Ca 0.41 -1.19 -0.34 0.00 -2.04 0.00 0.00 64.34 61.18 3knk n VAL 9 Cb -0.03 -1.05 -0.14 0.00 -1.47 0.00 0.00 33.84 31.15 3knk n VAL 9 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 3knk s GLU 10 N -4.58 3.31 -0.63 7.34 2.56 -1.26 -5.04 118.70 120.40 3knk s GLU 10 Ca 0.52 -0.68 -0.13 0.00 0.00 0.00 0.00 54.97 54.69 3knk s GLU 10 Cb -0.03 -2.81 -0.16 0.00 2.00 0.00 0.00 34.13 33.13 3knk s GLU 10 CO 0.35 -0.07 1.78 -2.30 -0.56 0.00 0.00 175.26 174.46 3knk n PRO 11 N 4.36 0.11 -0.66 4.30 -0.02 -1.26 -4.83 135.00 137.01 3knk n PRO 11 Ca -0.19 -0.55 -0.42 0.00 -2.02 0.00 0.00 63.50 60.33 3knk n PRO 11 Cb 0.51 -2.15 -0.09 0.00 -0.02 0.00 0.00 33.50 31.75 3knk n PRO 11 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 3knk n ARG 12 N 6.32 0.46 -0.99 -0.52 0.63 -1.26 -4.73 116.66 116.56 3knk n ARG 12 Ca 0.34 -1.22 -0.36 0.00 -0.92 0.00 0.00 57.85 55.69 3knk n ARG 12 Cb 0.39 -2.59 -0.03 0.00 0.45 0.00 0.00 32.46 30.68 3knk n ARG 12 CO 0.00 0.00 0.00 0.91 -2.51 0.00 0.00 177.63 176.03 3knk n TRP 13 N 8.26 -0.01 -4.34 -0.14 7.02 -1.26 -4.53 117.44 122.43 3knk n TRP 13 Ca 0.45 0.69 -0.19 0.00 -1.02 0.00 0.00 57.50 57.43 3knk n TRP 13 Cb 0.39 -1.39 -0.10 0.00 -2.42 0.00 0.00 31.31 27.79 3knk n TRP 13 CO 0.00 0.00 0.00 0.08 -2.02 0.00 0.00 177.69 175.75 3knk s VAL 14 N -0.40 1.78 0.22 -0.99 1.01 0.26 -3.16 120.40 119.11 3knk s VAL 14 Ca 0.52 -2.13 0.10 0.00 0.00 0.00 0.00 61.98 60.46 3knk s VAL 14 Cb -0.74 -1.99 -0.05 0.00 0.00 0.00 0.00 36.38 33.61 3knk s VAL 14 CO 0.39 -0.51 -0.18 -0.22 0.00 0.00 0.00 175.10 174.57 3knk s LEU 15 N -3.13 2.52 -0.30 3.92 1.98 0.38 -1.71 118.68 122.33 3knk s LEU 15 Ca 0.21 -0.96 -0.19 0.00 -2.89 0.00 0.00 54.13 50.30 3knk s LEU 15 Cb -0.02 -0.91 0.19 0.00 0.66 0.00 0.00 46.19 46.11 3knk s LEU 15 CO 0.07 -0.03 1.26 -0.51 -1.89 0.00 0.00 176.35 175.25 3knk s ILE 16 N -2.41 0.00 -0.38 6.68 2.07 -0.56 -3.33 121.20 123.28 3knk s ILE 16 Ca 0.23 0.00 0.13 0.00 -1.41 0.00 0.00 60.65 59.60 3knk s ILE 16 Cb -0.04 -1.00 0.42 0.00 0.13 0.00 0.00 42.46 41.97 3knk s ILE 16 CO 0.10 0.00 0.93 -0.67 -1.91 0.00 0.00 174.94 173.39 3knk n ASP 17 N 2.77 2.20 -4.57 4.50 4.64 -1.26 -0.86 116.55 123.97 3knk n ASP 17 Ca -0.16 -3.05 -0.26 0.00 -1.38 0.00 0.00 54.79 49.95 3knk n ASP 17 Cb 0.57 -0.54 -0.06 0.00 -1.04 0.00 0.00 41.12 40.04 3knk n ASP 17 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3knk s ALA 18 N -3.08 1.57 -0.03 -1.67 0.00 -1.26 -4.61 121.76 112.68 3knk s ALA 18 Ca 0.36 -1.85 -0.03 0.00 0.00 0.00 0.00 51.96 50.43 3knk s ALA 18 Cb 0.41 -4.64 -0.27 0.00 0.00 0.00 0.00 23.12 18.61 3knk s ALA 18 CO -0.05 -5.34 0.73 1.05 0.00 0.00 0.00 175.76 172.15 3knk h GLU 19 N 10.47 0.25 -0.01 0.00 4.11 -1.88 -3.26 114.58 124.25 3knk h GLU 19 Ca 0.15 -0.42 0.00 0.00 0.07 0.00 0.00 59.36 59.16 3knk h GLU 19 Cb 0.96 0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.37 3knk h GLU 19 CO 1.19 1.09 0.00 0.41 0.07 0.00 0.00 179.01 181.77 3knk n GLY 20 N 1.74 -0.58 0.00 1.06 0.00 -1.26 -1.45 105.19 104.70 3knk n GLY 20 Ca -0.20 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.52 3knk n GLY 20 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3knk n LYS 21 N -0.50 1.67 -3.79 1.61 4.81 -1.23 -4.54 118.16 116.18 3knk n LYS 21 Ca 0.22 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.53 3knk n LYS 21 Cb 0.21 0.00 -0.11 0.00 0.02 0.00 0.00 35.03 35.15 3knk n LYS 21 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 3knk s THR 22 N 0.71 0.02 0.75 3.15 2.01 -1.26 -1.56 115.64 119.47 3knk s THR 22 Ca 0.00 -0.15 -0.15 0.00 0.31 0.00 0.00 61.69 61.70 3knk s THR 22 Cb 0.00 -0.42 0.04 0.00 0.01 0.00 0.00 72.50 72.13 3knk s THR 22 CO 0.00 -0.08 1.12 0.00 -0.69 0.00 0.00 174.62 174.97 3knk n LEU 23 N 2.51 4.32 0.00 4.42 -0.00 -1.26 -1.50 117.00 125.48 3knk n LEU 23 Ca -0.15 0.66 0.00 0.00 -0.00 0.00 0.00 56.01 56.51 3knk n LEU 23 Cb 0.58 -1.48 0.00 0.00 -0.00 0.00 0.00 43.42 42.52 3knk n LEU 23 CO 0.19 -1.72 0.00 0.61 -0.00 0.00 0.00 177.39 176.46 3knk n GLY 24 N 0.83 2.13 0.19 1.47 0.00 -1.26 -4.33 105.19 104.21 3knk n GLY 24 Ca 0.14 -0.38 0.11 0.00 0.00 0.00 0.00 46.02 45.89 3knk n GLY 24 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3knk h ARG 25 N 0.00 0.00 0.00 1.61 2.47 -1.99 0.20 114.38 116.66 3knk h ARG 25 Ca 0.00 0.00 -0.19 0.00 -1.26 0.00 0.00 59.98 58.53 3knk h ARG 25 Cb 0.00 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.29 3knk h ARG 25 CO 0.00 0.00 -1.55 -0.11 0.56 0.00 0.00 179.97 178.87 3knk n LEU 26 N -2.29 1.08 -0.20 3.04 7.94 -0.57 -4.54 117.00 121.48 3knk n LEU 26 Ca -0.01 0.18 0.29 0.00 -1.11 0.00 0.00 56.01 55.36 3knk n LEU 26 Cb 0.15 -0.44 0.72 0.00 0.53 0.00 0.00 43.42 44.38 3knk n LEU 26 CO 0.09 0.15 1.27 0.00 -1.11 0.00 0.00 177.39 177.79 3knk h ALA 27 N -0.50 2.86 0.07 1.96 0.00 -1.69 0.20 119.26 122.17 3knk h ALA 27 Ca -0.29 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.60 3knk h ALA 27 Cb 1.17 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.98 3knk h ALA 27 CO -0.18 -1.13 -0.42 0.00 0.00 0.00 0.00 179.25 177.52 3knk h THR 28 N 0.01 0.00 0.76 0.00 1.03 -0.86 0.89 112.91 114.74 3knk h THR 28 Ca 0.44 0.00 -0.04 0.00 -0.01 0.00 0.00 66.41 66.80 3knk h THR 28 Cb 1.76 0.00 0.01 0.00 -1.07 0.00 0.00 68.15 68.84 3knk h THR 28 CO -0.01 0.00 -0.36 0.11 -0.01 0.00 0.00 175.52 175.25 3knk h LYS 29 N -0.58 -0.98 -1.18 0.00 1.57 -0.89 0.40 116.57 114.91 3knk h LYS 29 Ca -0.00 0.07 0.34 0.00 -1.87 0.00 0.00 60.65 59.18 3knk h LYS 29 Cb 0.60 0.22 -0.09 0.00 0.08 0.00 0.00 32.23 33.04 3knk h LYS 29 CO -0.24 -0.65 0.79 0.82 -0.57 0.00 0.00 179.45 179.59 3knk h ILE 30 N -1.04 0.37 0.19 1.86 2.04 -1.29 1.65 117.51 121.28 3knk h ILE 30 Ca -0.10 -0.07 -0.01 0.00 1.00 0.00 0.00 64.86 65.67 3knk h ILE 30 Cb 0.79 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.01 3knk h ILE 30 CO 0.17 0.04 -0.09 0.00 0.00 0.00 0.00 178.15 178.27 3knk h ALA 31 N 1.55 -0.25 -0.20 1.87 0.00 -0.20 -0.71 119.26 121.31 3knk h ALA 31 Ca 0.66 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 55.41 3knk h ALA 31 Cb 2.04 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.92 3knk h ALA 31 CO -0.26 -0.35 0.28 1.15 0.00 0.00 0.00 179.25 180.08 3knk h THR 32 N -0.84 0.32 0.00 0.00 2.02 0.52 0.50 112.91 115.44 3knk h THR 32 Ca -0.03 0.00 -0.27 0.00 0.77 0.00 0.00 66.41 66.89 3knk h THR 32 Cb 0.52 0.76 -0.04 0.00 -1.74 0.00 0.00 68.15 67.65 3knk h THR 32 CO 0.04 0.00 -1.53 -0.07 0.37 0.00 0.00 175.52 174.33 3knk h LEU 33 N 0.00 0.00 -0.83 2.58 4.07 0.21 -3.31 115.31 118.04 3knk h LEU 33 Ca 0.10 0.00 0.04 0.00 0.08 0.00 0.00 57.88 58.10 3knk h LEU 33 Cb 0.66 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 42.35 3knk h LEU 33 CO -0.00 0.98 0.53 -0.07 -1.08 0.00 0.00 178.44 178.80 3knk h LEU 34 N 0.00 0.85 0.00 1.67 4.07 0.67 -3.21 115.31 119.37 3knk h LEU 34 Ca -0.22 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.75 3knk h LEU 34 Cb 1.94 -0.18 0.00 0.00 1.08 0.00 0.00 40.66 43.50 3knk h LEU 34 CO 0.09 0.57 0.00 0.54 -1.08 0.00 0.00 178.44 178.56 3knk n ARG 35 N -4.60 2.75 -0.00 1.13 1.74 -1.14 -3.42 116.66 113.13 3knk n ARG 35 Ca 0.11 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.19 3knk n ARG 35 Cb 0.12 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.56 3knk n ARG 35 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3knk n GLY 36 N 3.11 0.59 0.12 -0.13 0.00 -1.26 -3.42 105.19 104.20 3knk n GLY 36 Ca 0.00 -0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 3knk n GLY 36 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3knk n LYS 37 N -0.22 -0.00 -0.05 1.61 3.00 -1.24 -1.86 118.16 119.39 3knk n LYS 37 Ca 0.00 0.19 -0.05 0.00 -0.00 0.00 0.00 58.31 58.45 3knk n LYS 37 Cb 0.12 -0.43 -0.02 0.00 0.00 0.00 0.00 35.03 34.70 3knk n LYS 37 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.40 175.01 3knk n HIS 38 N -2.34 0.15 -1.76 5.64 1.44 -1.26 -4.90 115.22 112.19 3knk n HIS 38 Ca 0.08 0.06 -0.42 0.00 -2.01 0.00 0.00 57.72 55.43 3knk n HIS 38 Cb 0.34 -0.38 -0.02 0.00 0.12 0.00 0.00 29.99 30.06 3knk n HIS 38 CO 0.00 0.00 0.00 -0.98 -2.81 0.00 0.00 176.34 172.55 3knk s ARG 39 N -2.10 4.11 0.00 -1.40 1.70 -0.78 -4.80 118.95 115.68 3knk s ARG 39 Ca -0.16 2.60 0.00 0.00 -0.47 0.00 0.00 55.73 57.70 3knk s ARG 39 Cb 0.02 -3.02 0.00 0.00 -0.57 0.00 0.00 34.95 31.38 3knk s ARG 39 CO 0.24 -0.66 0.04 -0.35 -1.08 0.00 0.00 175.30 173.49 3knk n PRO 40 N 2.24 0.00 0.09 3.89 -0.04 -1.26 -3.25 135.00 136.67 3knk n PRO 40 Ca 0.09 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.57 3knk n PRO 40 Cb 0.37 -1.07 -0.02 0.00 -0.04 0.00 0.00 33.50 32.73 3knk n PRO 40 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3knk h ASP 41 N 0.00 0.00 0.00 3.54 5.19 -1.87 -3.49 116.42 119.79 3knk h ASP 41 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3knk h ASP 41 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 3knk h ASP 41 CO 0.00 0.50 0.00 1.87 -3.12 0.00 0.00 179.24 178.49 3knk n TRP 42 N -3.04 0.00 -3.50 4.55 -0.00 -1.20 -4.84 117.44 109.40 3knk n TRP 42 Ca -0.03 0.00 -0.08 0.00 -0.00 0.00 0.00 57.50 57.39 3knk n TRP 42 Cb 0.77 0.00 -0.08 0.00 -0.00 0.00 0.00 31.31 32.00 3knk n TRP 42 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 177.69 178.68 3knk s THR 43 N 0.00 -0.66 -2.00 5.87 2.01 -1.26 -5.04 115.64 114.55 3knk s THR 43 Ca 0.00 0.06 0.16 0.00 0.31 0.00 0.00 61.69 62.22 3knk s THR 43 Cb 0.00 -0.76 0.46 0.00 0.01 0.00 0.00 72.50 72.21 3knk s THR 43 CO 0.00 -0.01 1.40 -0.81 -0.69 0.00 0.00 174.62 174.51 3knk n PRO 44 N 5.38 0.63 -0.00 4.92 -0.04 -1.26 -3.42 135.00 141.22 3knk n PRO 44 Ca -0.06 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.42 3knk n PRO 44 Cb 0.50 -1.40 -0.03 0.00 -0.04 0.00 0.00 33.50 32.53 3knk n PRO 44 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 3knk n ASN 45 N -0.90 2.23 -0.09 3.54 0.23 -1.26 -4.90 115.26 114.12 3knk n ASN 45 Ca 0.12 -0.28 -0.20 0.00 -0.53 0.00 0.00 54.58 53.69 3knk n ASN 45 Cb 0.06 1.11 -0.12 0.00 -2.08 0.00 0.00 39.78 38.74 3knk n ASN 45 CO 0.00 0.00 0.00 0.55 -0.93 0.00 0.00 177.26 176.88 3knk n VAL 46 N -1.40 1.59 -1.40 3.53 3.14 -1.22 -5.06 118.33 117.51 3knk n VAL 46 Ca -0.00 -0.56 0.00 0.00 -2.96 0.00 0.00 64.34 60.82 3knk n VAL 46 Cb 0.09 -1.57 0.00 0.00 -1.06 0.00 0.00 33.84 31.30 3knk n VAL 46 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3knk n ALA 47 N -3.26 0.00 -0.19 1.55 0.00 -1.26 -4.95 120.51 112.40 3knk n ALA 47 Ca -0.42 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 52.92 3knk n ALA 47 Cb 0.99 -0.29 0.05 0.00 0.00 0.00 0.00 19.45 20.19 3knk n ALA 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3knk n MET 48 N -0.36 1.49 0.00 0.00 0.00 -1.26 -4.91 117.12 112.07 3knk n MET 48 Ca 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 57.70 56.63 3knk n MET 48 Cb 0.29 -1.42 0.00 0.00 0.00 0.00 0.00 33.22 32.09 3knk n MET 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3knk n GLY 49 N 0.24 -2.66 2.74 3.17 0.00 -1.25 -4.62 105.19 102.81 3knk n GLY 49 Ca 0.21 -0.90 -0.20 0.00 0.00 0.00 0.00 46.02 45.13 3knk n GLY 49 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3knk s ASP 50 N -2.22 1.42 0.02 1.61 1.11 -1.21 -4.67 116.67 112.73 3knk s ASP 50 Ca 0.00 -0.14 -0.32 0.00 0.18 0.00 0.00 52.55 52.27 3knk s ASP 50 Cb 0.00 0.17 -0.11 0.00 1.07 0.00 0.00 42.92 44.05 3knk s ASP 50 CO 0.00 -0.30 1.86 0.49 1.18 0.00 0.00 175.17 178.40 3knk n PHE 51 N 5.31 2.44 -4.14 4.23 3.01 -1.26 -4.50 117.46 122.55 3knk n PHE 51 Ca -0.05 -0.10 -0.27 0.00 1.01 0.00 0.00 57.45 58.03 3knk n PHE 51 Cb 0.49 -2.70 -0.07 0.00 -0.01 0.00 0.00 39.48 37.19 3knk n PHE 51 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 3knk s VAL 52 N 3.48 4.08 -0.38 -4.37 1.01 -1.15 0.88 120.40 123.95 3knk s VAL 52 Ca 0.88 -1.21 0.02 0.00 0.00 0.00 0.00 61.98 61.66 3knk s VAL 52 Cb -0.57 -3.05 0.16 0.00 0.00 0.00 0.00 36.38 32.91 3knk s VAL 52 CO 0.44 -0.07 0.30 -0.69 0.00 0.00 0.00 175.10 175.08 3knk s VAL 53 N -1.67 0.14 -0.27 2.92 1.01 -0.70 -2.40 120.40 119.43 3knk s VAL 53 Ca 0.29 -2.03 -0.28 0.00 0.00 0.00 0.00 61.98 59.95 3knk s VAL 53 Cb -0.10 -1.09 0.01 0.00 0.00 0.00 0.00 36.38 35.20 3knk s VAL 53 CO 0.21 -1.03 1.03 -0.69 0.00 0.00 0.00 175.10 174.61 3knk s VAL 54 N 0.65 4.62 0.36 2.92 1.01 -1.17 -1.50 120.40 127.30 3knk s VAL 54 Ca 0.25 1.83 0.07 0.00 0.00 0.00 0.00 61.98 64.13 3knk s VAL 54 Cb -0.10 -4.33 -0.02 0.00 0.00 0.00 0.00 36.38 31.93 3knk s VAL 54 CO -0.09 -0.31 0.38 0.54 0.00 0.00 0.00 175.10 175.62 3knk s VAL 55 N 3.36 3.38 -0.57 2.92 0.11 -0.04 -1.97 120.40 127.58 3knk s VAL 55 Ca 0.43 -1.25 -0.00 0.00 -2.93 0.00 0.00 61.98 58.23 3knk s VAL 55 Cb -0.14 -3.17 -0.00 0.00 -1.53 0.00 0.00 36.38 31.54 3knk s VAL 55 CO 0.10 -0.11 0.54 -3.20 -3.33 0.00 0.00 175.10 169.10 3knk n ASN 56 N -1.51 -6.32 0.00 3.54 4.05 -0.62 -4.53 115.26 109.87 3knk n ASN 56 Ca 0.01 -0.09 0.00 0.00 0.45 0.00 0.00 54.58 54.95 3knk n ASN 56 Cb 0.60 -4.24 0.00 0.00 1.23 0.00 0.00 39.78 37.37 3knk n ASN 56 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3knk n ALA 57 N -1.67 0.00 0.00 5.20 0.00 0.83 -4.69 120.51 120.18 3knk n ALA 57 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3knk n ALA 57 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 3knk n ALA 57 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3knk n ASP 58 N 0.00 0.00 0.00 0.00 5.75 -1.26 -4.12 116.55 116.91 3knk n ASP 58 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 3knk n ASP 58 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 3knk n ASP 58 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3knk n LYS 59 N 6.90 0.00 -1.27 0.11 4.76 -1.26 -4.74 118.16 122.65 3knk n LYS 59 Ca 0.00 0.00 -0.23 0.00 -2.87 0.00 0.00 58.31 55.21 3knk n LYS 59 Cb 0.00 0.00 -0.18 0.00 -1.84 0.00 0.00 35.03 33.01 3knk n LYS 59 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 3knk n ILE 60 N 0.00 0.00 -1.43 -0.18 5.41 -0.53 -4.66 119.36 117.96 3knk n ILE 60 Ca 0.00 -0.31 -0.38 0.00 1.00 0.00 0.00 62.75 63.05 3knk n ILE 60 Cb 0.00 -0.11 0.03 0.00 -0.71 0.00 0.00 39.64 38.85 3knk n ILE 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 3knk n ARG 61 N 5.34 0.43 -5.21 0.38 5.12 -0.60 -4.79 116.66 117.33 3knk n ARG 61 Ca 0.57 0.17 -0.30 0.00 -1.93 0.00 0.00 57.85 56.36 3knk n ARG 61 Cb 0.09 -1.58 -0.16 0.00 -1.16 0.00 0.00 32.46 29.65 3knk n ARG 61 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3knk s VAL 62 N -1.75 1.95 0.19 1.55 0.11 -1.26 -4.38 120.40 116.81 3knk s VAL 62 Ca 0.67 -1.03 -0.17 0.00 -2.93 0.00 0.00 61.98 58.52 3knk s VAL 62 Cb -0.46 -1.64 -0.08 0.00 -1.53 0.00 0.00 36.38 32.67 3knk s VAL 62 CO 0.56 0.55 0.64 -0.89 -3.33 0.00 0.00 175.10 172.63 3knk s THR 63 N -0.28 4.71 0.00 5.04 2.01 -1.26 -4.88 115.64 120.97 3knk s THR 63 Ca 0.01 1.07 0.00 0.00 0.31 0.00 0.00 61.69 63.07 3knk s THR 63 Cb -0.12 -3.80 0.00 0.00 0.01 0.00 0.00 72.50 68.59 3knk s THR 63 CO 0.02 0.22 0.00 0.61 -0.69 0.00 0.00 174.62 174.78 3knk n GLY 64 N 0.75 -0.02 2.20 4.40 0.00 -1.26 -3.77 105.19 107.50 3knk n GLY 64 Ca -0.04 -0.99 -0.24 0.00 0.00 0.00 0.00 46.02 44.75 3knk n GLY 64 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3knk n LYS 65 N -0.27 2.74 0.05 1.61 5.02 -1.26 -4.53 118.16 121.53 3knk n LYS 65 Ca 0.00 -1.75 -0.04 0.00 -2.02 0.00 0.00 58.31 54.50 3knk n LYS 65 Cb 0.00 -2.29 -0.09 0.00 -0.02 0.00 0.00 35.03 32.63 3knk n LYS 65 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 3knk h LYS 66 N 3.66 0.00 -6.64 1.97 1.57 -1.87 -3.22 116.57 112.03 3knk h LYS 66 Ca 0.45 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.71 3knk h LYS 66 Cb 0.96 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.28 3knk h LYS 66 CO 0.85 0.66 0.52 -0.51 -0.57 0.00 0.00 179.45 180.40 3knk s LEU 67 N -6.36 4.46 0.00 2.94 1.02 -1.26 -0.26 118.68 119.22 3knk s LEU 67 Ca -0.00 2.15 0.00 0.00 0.02 0.00 0.00 54.13 56.29 3knk s LEU 67 Cb 0.09 -3.60 0.00 0.00 0.02 0.00 0.00 46.19 42.70 3knk s LEU 67 CO 0.80 -0.32 0.00 -0.62 0.02 0.00 0.00 176.35 176.24 3knk n GLU 68 N 2.59 0.00 -0.69 1.70 -0.58 -1.26 -4.61 120.64 117.78 3knk n GLU 68 Ca 0.04 0.00 0.06 0.00 -0.42 0.00 0.00 57.16 56.84 3knk n GLU 68 Cb 0.45 0.00 0.32 0.00 -0.57 0.00 0.00 31.44 31.64 3knk n GLU 68 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 3knk n GLN 69 N 0.00 3.99 -5.27 3.49 6.02 -1.13 -4.81 117.38 119.67 3knk n GLN 69 Ca 0.00 -2.45 -0.31 0.00 -0.01 0.00 0.00 57.00 54.23 3knk n GLN 69 Cb 0.00 -2.08 -0.16 0.00 1.02 0.00 0.00 30.24 29.02 3knk n GLN 69 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 3knk s LYS 70 N -2.33 2.42 -0.01 -1.09 2.47 0.65 -4.81 119.74 117.04 3knk s LYS 70 Ca 0.43 -0.91 0.01 0.00 -1.56 0.00 0.00 55.97 53.94 3knk s LYS 70 Cb 0.32 -2.12 0.00 0.00 -1.46 0.00 0.00 37.83 34.57 3knk s LYS 70 CO 0.13 0.43 -0.04 0.42 0.16 0.00 0.00 175.35 176.44 3knk s ILE 71 N -0.28 0.38 -0.08 5.43 1.01 -1.26 -1.56 121.20 124.84 3knk s ILE 71 Ca -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 60.65 60.48 3knk s ILE 71 Cb -0.13 -0.35 -0.03 0.00 0.01 0.00 0.00 42.46 41.97 3knk s ILE 71 CO 0.02 0.12 -0.07 -0.31 0.00 0.00 0.00 174.94 174.71 3knk s TYR 72 N 0.07 2.93 0.15 3.97 1.51 0.33 -4.97 117.35 121.34 3knk s TYR 72 Ca -0.00 -0.06 0.08 0.00 -1.01 0.00 0.00 57.07 56.08 3knk s TYR 72 Cb -0.04 -1.74 -0.04 0.00 -0.11 0.00 0.00 41.96 40.03 3knk s TYR 72 CO -0.00 0.26 -0.10 0.95 -1.11 0.00 0.00 175.55 175.55 3knk s THR 73 N -0.61 3.25 -0.16 -0.71 -4.23 -1.26 -2.15 115.64 109.76 3knk s THR 73 Ca 0.09 -1.51 -0.12 0.00 -1.18 0.00 0.00 61.69 58.97 3knk s THR 73 Cb -0.12 -2.58 0.05 0.00 1.34 0.00 0.00 72.50 71.19 3knk s THR 73 CO 0.02 -0.03 0.41 -0.13 -0.54 0.00 0.00 174.62 174.35 3knk s ARG 74 N -2.60 0.44 -0.42 3.99 0.52 -1.09 -4.98 118.95 114.82 3knk s ARG 74 Ca 0.23 0.65 0.03 0.00 -0.52 0.00 0.00 55.73 56.12 3knk s ARG 74 Cb -0.10 0.13 0.12 0.00 0.52 0.00 0.00 34.95 35.62 3knk s ARG 74 CO 0.15 -0.10 0.16 -0.47 0.02 0.00 0.00 175.30 175.06 3knk s TYR 75 N 0.66 3.03 -1.22 -0.53 5.04 -1.26 -0.63 117.35 122.46 3knk s TYR 75 Ca -0.04 -2.83 -0.21 0.00 -2.44 0.00 0.00 57.07 51.56 3knk s TYR 75 Cb -0.05 -2.58 -0.04 0.00 0.35 0.00 0.00 41.96 39.64 3knk s TYR 75 CO -0.04 -0.84 1.88 -1.13 -1.34 0.00 0.00 175.55 174.07 3knk n SER 76 N 3.80 3.64 0.00 4.32 3.41 -0.76 -4.70 113.62 123.34 3knk n SER 76 Ca 0.04 -2.77 0.00 0.00 -0.26 0.00 0.00 58.87 55.89 3knk n SER 76 Cb 0.37 -1.73 0.00 0.00 -0.26 0.00 0.00 64.21 62.59 3knk n SER 76 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3knk n GLY 77 N 5.61 0.00 0.00 5.00 0.00 -1.26 -4.66 105.19 109.88 3knk n GLY 77 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.48 3knk n GLY 77 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3knk n TYR 78 N 0.00 -1.51 -3.34 1.61 4.02 -1.26 -5.03 117.16 111.65 3knk n TYR 78 Ca 0.00 0.00 -0.38 0.00 -0.01 0.00 0.00 57.90 57.51 3knk n TYR 78 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.26 3knk n TYR 78 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 176.86 173.71 3knk s PRO 79 N 0.02 4.16 0.00 -0.72 0.02 -1.26 -3.39 135.00 133.82 3knk s PRO 79 Ca 0.00 0.58 0.00 0.00 0.02 0.00 0.00 61.00 61.60 3knk s PRO 79 Cb 0.00 -3.29 0.00 0.00 0.02 0.00 0.00 34.50 31.23 3knk s PRO 79 CO 0.00 0.52 0.00 0.41 -0.33 0.00 0.00 177.00 177.60 3knk n GLY 80 N 2.17 0.42 2.97 0.52 0.00 -1.26 -4.86 105.19 105.16 3knk n GLY 80 Ca -0.10 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.75 3knk n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3knk n GLY 81 N -2.00 1.98 2.59 -0.02 0.00 -1.22 -4.81 105.19 101.72 3knk n GLY 81 Ca 0.00 -0.48 -0.27 0.00 0.00 0.00 0.00 46.02 45.28 3knk n GLY 81 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3knk s LEU 82 N 0.13 0.38 0.28 0.99 2.96 -1.26 -1.83 118.68 120.34 3knk s LEU 82 Ca 0.26 -0.91 -0.29 0.00 -0.22 0.00 0.00 54.13 52.98 3knk s LEU 82 Cb 0.06 -0.22 -0.09 0.00 0.50 0.00 0.00 46.19 46.44 3knk s LEU 82 CO 0.05 -0.39 1.01 -0.54 -1.32 0.00 0.00 176.35 175.16 3knk s LYS 83 N 2.14 4.66 -0.57 1.98 -0.14 0.20 -4.89 119.74 123.12 3knk s LYS 83 Ca 0.06 1.58 0.05 0.00 -1.36 0.00 0.00 55.97 56.30 3knk s LYS 83 Cb -0.16 -3.09 0.19 0.00 -1.68 0.00 0.00 37.83 33.08 3knk s LYS 83 CO -0.23 0.30 0.48 1.63 -0.76 0.00 0.00 175.35 176.77 3knk n LYS 84 N 1.07 1.27 -3.44 1.68 5.02 -1.26 -2.68 118.16 119.83 3knk n LYS 84 Ca -0.00 -3.96 -0.38 0.00 -2.02 0.00 0.00 58.31 51.95 3knk n LYS 84 Cb 0.47 -1.97 -0.08 0.00 -0.02 0.00 0.00 35.03 33.43 3knk n LYS 84 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 3knk s ILE 85 N -1.07 5.23 1.33 -0.18 2.07 -0.92 -4.88 121.20 122.78 3knk s ILE 85 Ca 0.31 0.59 -0.21 0.00 -1.41 0.00 0.00 60.65 59.93 3knk s ILE 85 Cb 0.03 -3.68 0.32 0.00 0.13 0.00 0.00 42.46 39.26 3knk s ILE 85 CO -0.15 0.26 0.74 -0.81 -1.91 0.00 0.00 174.94 173.06 3knk n PRO 86 N 4.53 -4.02 -0.08 3.50 -0.04 -1.26 -0.51 135.00 137.11 3knk n PRO 86 Ca -0.10 -1.19 -0.18 0.00 -0.04 0.00 0.00 63.50 61.99 3knk n PRO 86 Cb 0.51 -1.82 -0.12 0.00 -0.04 0.00 0.00 33.50 32.03 3knk n PRO 86 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3knk h LEU 87 N -3.33 0.03 -1.94 1.53 6.46 -1.54 -3.26 115.31 113.26 3knk h LEU 87 Ca -0.37 -0.77 0.27 0.00 -0.12 0.00 0.00 57.88 56.88 3knk h LEU 87 Cb 1.18 -0.01 -0.04 0.00 -0.73 0.00 0.00 40.66 41.06 3knk h LEU 87 CO 0.24 1.26 0.67 -0.33 -0.62 0.00 0.00 178.44 179.66 3knk h GLU 88 N -0.95 0.04 -0.84 1.25 5.08 -1.87 0.49 114.58 117.78 3knk h GLU 88 Ca -0.18 -0.00 0.12 0.00 -1.00 0.00 0.00 59.36 58.30 3knk h GLU 88 Cb 1.19 -0.01 -0.08 0.00 0.50 0.00 0.00 28.75 30.35 3knk h GLU 88 CO -0.09 0.03 0.46 0.87 -1.00 0.00 0.00 179.01 179.28 3knk h LYS 89 N 0.05 0.71 0.14 2.33 1.79 -1.92 -2.88 116.57 116.78 3knk h LYS 89 Ca 0.45 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.87 3knk h LYS 89 Cb 1.73 -0.16 -0.00 0.00 -1.58 0.00 0.00 32.23 32.22 3knk h LYS 89 CO -0.03 0.47 -0.09 0.52 -1.08 0.00 0.00 179.45 179.24 3knk h MET 90 N 0.73 -0.21 -1.19 3.15 2.86 -0.09 -2.71 114.93 117.46 3knk h MET 90 Ca 0.43 0.01 0.35 0.00 -2.06 0.00 0.00 59.70 58.43 3knk h MET 90 Cb 0.49 0.05 -0.05 0.00 0.06 0.00 0.00 31.60 32.15 3knk h MET 90 CO -0.29 -0.14 1.11 1.28 1.06 0.00 0.00 176.91 179.92 3knk n LEU 91 N -2.72 0.00 0.08 1.22 4.77 -1.11 0.45 117.00 119.70 3knk n LEU 91 Ca -0.03 0.72 0.13 0.00 -0.03 0.00 0.00 56.01 56.80 3knk n LEU 91 Cb 0.09 -0.30 0.46 0.00 -2.33 0.00 0.00 43.42 41.35 3knk n LEU 91 CO 0.06 -0.72 0.89 0.00 -1.33 0.00 0.00 177.39 176.29 3knk n ALA 92 N -2.36 2.15 -3.17 -1.18 0.00 -1.03 -4.36 120.51 110.56 3knk n ALA 92 Ca 0.27 -0.03 0.05 0.00 0.00 0.00 0.00 53.44 53.73 3knk n ALA 92 Cb 1.46 -1.44 -0.02 0.00 0.00 0.00 0.00 19.45 19.46 3knk n ALA 92 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3knk s THR 93 N -3.10 -0.60 0.00 0.00 -1.32 1.59 -4.97 115.64 107.24 3knk s THR 93 Ca 0.10 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.58 3knk s THR 93 Cb 0.13 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.12 3knk s THR 93 CO 0.53 0.00 0.00 1.41 -2.21 0.00 0.00 174.62 174.35 3knk n HIS 94 N 5.43 0.00 -0.23 9.09 8.25 -1.22 -4.57 115.22 131.97 3knk n HIS 94 Ca -0.05 0.00 0.31 0.00 -0.26 0.00 0.00 57.72 57.72 3knk n HIS 94 Cb 0.53 -1.06 0.74 0.00 1.12 0.00 0.00 29.99 31.31 3knk n HIS 94 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3knk h PRO 95 N 0.00 0.00 -0.83 -0.41 0.13 -1.76 -1.33 132.00 127.80 3knk h PRO 95 Ca 0.00 0.00 0.13 0.00 -0.87 0.00 0.00 66.00 65.26 3knk h PRO 95 Cb 0.85 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.89 3knk h PRO 95 CO 0.00 0.00 0.44 1.05 -0.23 0.00 0.00 178.00 179.26 3knk h GLU 96 N 0.00 0.65 -0.49 0.86 9.09 -1.93 -3.18 114.58 119.58 3knk h GLU 96 Ca 0.48 -0.04 0.05 0.00 0.05 0.00 0.00 59.36 59.90 3knk h GLU 96 Cb 1.93 -0.15 -0.07 0.00 -1.65 0.00 0.00 28.75 28.82 3knk h GLU 96 CO -0.01 0.43 -0.36 0.00 0.05 0.00 0.00 179.01 179.13 3knk h ARG 97 N 0.67 -0.08 -0.76 1.06 3.08 -1.63 -1.63 114.38 115.10 3knk h ARG 97 Ca 0.43 0.01 0.28 0.00 0.07 0.00 0.00 59.98 60.76 3knk h ARG 97 Cb 0.54 0.02 -0.14 0.00 0.08 0.00 0.00 29.97 30.47 3knk h ARG 97 CO -0.32 -0.05 0.25 0.28 -1.07 0.00 0.00 179.97 179.06 3knk n VAL 98 N -4.37 -0.32 0.07 2.04 0.31 -1.20 0.19 118.33 115.06 3knk n VAL 98 Ca 0.00 1.59 -0.10 0.00 -0.01 0.00 0.00 64.34 65.82 3knk n VAL 98 Cb 0.18 -2.48 0.00 0.00 -0.91 0.00 0.00 33.84 30.63 3knk n VAL 98 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 3knk h LEU 99 N 0.00 0.38 0.11 7.52 7.12 -1.48 -2.27 115.31 126.70 3knk h LEU 99 Ca 0.57 -0.29 -0.18 0.00 0.13 0.00 0.00 57.88 58.12 3knk h LEU 99 Cb 1.41 -0.12 0.02 0.00 -0.53 0.00 0.00 40.66 41.44 3knk h LEU 99 CO -0.64 1.06 -0.76 -0.33 -0.13 0.00 0.00 178.44 177.65 3knk h GLU 100 N 0.18 0.31 0.00 1.25 5.08 0.23 -2.49 114.58 119.14 3knk h GLU 100 Ca -0.05 -0.49 0.00 0.00 -1.00 0.00 0.00 59.36 57.83 3knk h GLU 100 Cb 1.45 0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.87 3knk h GLU 100 CO 0.14 1.21 0.00 1.58 -1.00 0.00 0.00 179.01 180.94 3knk n HIS 101 N -4.15 0.14 -0.10 4.33 -0.00 0.31 0.15 115.22 115.90 3knk n HIS 101 Ca -0.13 0.06 -0.20 0.00 0.46 0.00 0.00 57.72 57.92 3knk n HIS 101 Cb 0.79 -0.60 -0.10 0.00 -0.12 0.00 0.00 29.99 29.96 3knk n HIS 101 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3knk n ALA 102 N -1.55 0.78 0.15 1.57 0.00 -0.85 -3.73 120.51 116.87 3knk n ALA 102 Ca 0.01 -0.55 -0.25 0.00 0.00 0.00 0.00 53.44 52.66 3knk n ALA 102 Cb 0.09 -0.38 -0.16 0.00 0.00 0.00 0.00 19.45 19.00 3knk n ALA 102 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3knk h VAL 103 N -1.00 1.28 -0.15 0.00 2.07 -1.22 -3.30 116.25 113.93 3knk h VAL 103 Ca -0.32 -2.70 0.03 0.00 0.82 0.00 0.00 66.70 64.53 3knk h VAL 103 Cb 1.20 3.04 -0.06 0.00 -1.52 0.00 0.00 31.29 33.95 3knk h VAL 103 CO -0.20 0.81 -0.52 0.50 0.02 0.00 0.00 177.57 178.19 3knk h LYS 104 N 0.15 -0.51 0.00 1.57 3.64 -0.53 0.29 116.57 121.18 3knk h LYS 104 Ca -0.26 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.16 3knk h LYS 104 Cb 2.17 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 34.11 3knk h LYS 104 CO 0.28 -0.34 0.00 0.41 -2.27 0.00 0.00 179.45 177.53 3knk n GLY 105 N -1.40 0.00 2.76 5.01 0.00 -1.24 -1.39 105.19 108.93 3knk n GLY 105 Ca -0.05 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.93 3knk n GLY 105 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3knk n MET 106 N -0.30 1.49 -4.25 1.61 2.81 0.10 -5.05 117.12 113.53 3knk n MET 106 Ca 0.00 -3.16 -0.14 0.00 -1.81 0.00 0.00 57.70 52.59 3knk n MET 106 Cb 0.00 -1.25 -0.10 0.00 -0.71 0.00 0.00 33.22 31.16 3knk n MET 106 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3knk s LEU 107 N -3.59 2.53 0.27 4.03 1.43 -0.48 -4.94 118.68 117.93 3knk s LEU 107 Ca 0.25 -1.01 -0.30 0.00 -1.03 0.00 0.00 54.13 52.04 3knk s LEU 107 Cb 0.38 -0.37 -0.13 0.00 0.03 0.00 0.00 46.19 46.10 3knk s LEU 107 CO -0.02 -0.32 1.37 -2.65 0.23 0.00 0.00 176.35 174.96 3knk n PRO 108 N -0.19 2.05 0.02 1.29 -0.02 -1.26 -4.92 135.00 131.97 3knk n PRO 108 Ca -0.10 0.73 -0.02 0.00 -2.02 0.00 0.00 63.50 62.09 3knk n PRO 108 Cb 0.61 -2.36 0.24 0.00 -0.02 0.00 0.00 33.50 31.96 3knk n PRO 108 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3knk h LYS 109 N 3.79 0.46 0.00 -0.52 1.57 -1.97 -3.27 116.57 116.64 3knk h LYS 109 Ca -0.45 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.18 3knk h LYS 109 Cb 1.28 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.55 3knk h LYS 109 CO 0.72 0.63 0.00 0.41 -0.57 0.00 0.00 179.45 180.64 3knk n GLY 110 N -0.54 -1.90 0.35 3.86 0.00 -1.26 -4.78 105.19 100.91 3knk n GLY 110 Ca 0.00 -1.19 -0.17 0.00 0.00 0.00 0.00 46.02 44.67 3knk n GLY 110 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3knk h PRO 111 N 0.00 -0.82 -0.84 1.61 0.11 -2.01 -3.29 132.00 126.76 3knk h PRO 111 Ca 0.00 0.06 0.08 0.00 0.11 0.00 0.00 66.00 66.25 3knk h PRO 111 Cb 0.00 0.19 -0.06 0.00 0.11 0.00 0.00 31.00 31.24 3knk h PRO 111 CO 0.00 -0.51 0.55 1.25 -0.21 0.00 0.00 178.00 179.07 3knk h LEU 112 N -0.97 0.76 0.10 2.35 5.85 -1.93 -0.60 115.31 120.88 3knk h LEU 112 Ca -0.09 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.65 3knk h LEU 112 Cb 0.69 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 3knk h LEU 112 CO 0.14 0.47 -0.28 1.23 -0.34 0.00 0.00 178.44 179.66 3knk h GLY 113 N 0.85 -1.16 0.55 3.75 0.00 -1.63 0.71 103.07 106.16 3knk h GLY 113 Ca 0.38 0.56 0.18 0.00 0.00 0.00 0.00 47.33 48.45 3knk h GLY 113 CO -0.15 -0.35 0.53 3.21 0.00 0.00 0.00 176.54 179.78 3knk h ARG 114 N -0.43 0.31 0.55 4.80 3.08 -1.59 0.90 114.38 122.00 3knk h ARG 114 Ca -0.01 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 3knk h ARG 114 Cb 0.41 -0.07 0.01 0.00 0.08 0.00 0.00 29.97 30.40 3knk h ARG 114 CO -0.13 0.21 -0.26 -0.09 -1.07 0.00 0.00 179.97 178.63 3knk h ARG 115 N 0.32 -0.71 -0.17 0.04 2.43 0.83 -2.47 114.38 114.65 3knk h ARG 115 Ca 0.39 0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.57 3knk h ARG 115 Cb 1.05 0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.75 3knk h ARG 115 CO -0.11 -0.45 -0.08 -0.07 -1.51 0.00 0.00 179.97 177.75 3knk h LEU 116 N -0.78 0.25 -1.36 3.80 3.38 0.12 -1.29 115.31 119.44 3knk h LEU 116 Ca -0.07 -0.04 0.27 0.00 0.09 0.00 0.00 57.88 58.12 3knk h LEU 116 Cb 0.58 -0.06 -0.10 0.00 0.09 0.00 0.00 40.66 41.17 3knk h LEU 116 CO 0.12 0.36 0.67 0.15 0.09 0.00 0.00 178.44 179.84 3knk h PHE 117 N 0.26 0.66 0.13 1.13 3.57 -0.40 0.43 116.94 122.71 3knk h PHE 117 Ca 0.06 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.57 3knk h PHE 117 Cb 0.30 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 38.85 3knk h PHE 117 CO 0.01 0.05 -0.06 0.87 -2.23 0.00 0.00 178.31 176.95 3knk h LYS 118 N 0.39 -0.16 0.00 1.11 1.57 -0.95 -1.97 116.57 116.56 3knk h LYS 118 Ca 0.60 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.39 3knk h LYS 118 Cb 1.53 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.88 3knk h LYS 118 CO -0.30 0.06 0.00 0.54 -0.57 0.00 0.00 179.45 179.17 3knk n ARG 119 N -5.07 0.00 -3.47 3.15 5.12 0.15 -4.15 116.66 112.39 3knk n ARG 119 Ca -0.09 0.00 -0.43 0.00 -1.93 0.00 0.00 57.85 55.41 3knk n ARG 119 Cb 0.17 -1.34 -0.07 0.00 -1.16 0.00 0.00 32.46 30.06 3knk n ARG 119 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 3knk s LEU 120 N -1.37 5.95 -0.69 0.55 1.98 -0.74 -2.96 118.68 121.41 3knk s LEU 120 Ca 0.00 -2.06 -0.17 0.00 -2.89 0.00 0.00 54.13 49.01 3knk s LEU 120 Cb 0.00 -2.08 0.14 0.00 0.66 0.00 0.00 46.19 44.91 3knk s LEU 120 CO 0.00 -0.70 0.74 -0.54 -1.89 0.00 0.00 176.35 173.96 3knk s LYS 121 N 1.15 3.25 0.31 1.98 3.01 -1.01 -5.03 119.74 123.40 3knk s LYS 121 Ca 0.07 -1.73 -0.00 0.00 -1.01 0.00 0.00 55.97 53.31 3knk s LYS 121 Cb -0.25 -4.40 -0.04 0.00 -1.01 0.00 0.00 37.83 32.13 3knk s LYS 121 CO -0.01 -1.48 0.51 0.08 0.51 0.00 0.00 175.35 174.96 3knk s VAL 122 N 1.89 5.12 -0.21 3.17 1.01 -1.26 -3.03 120.40 127.08 3knk s VAL 122 Ca 0.15 -0.42 -0.09 0.00 0.00 0.00 0.00 61.98 61.62 3knk s VAL 122 Cb -0.19 -3.83 0.09 0.00 0.00 0.00 0.00 36.38 32.45 3knk s VAL 122 CO -0.00 -0.46 0.47 -0.31 0.00 0.00 0.00 175.10 174.80 3knk s TYR 123 N -2.20 -0.84 -1.03 5.22 1.51 -0.83 -4.96 117.35 114.23 3knk s TYR 123 Ca 0.40 1.61 -0.23 0.00 -1.01 0.00 0.00 57.07 57.84 3knk s TYR 123 Cb -0.10 0.39 0.00 0.00 -0.11 0.00 0.00 41.96 42.14 3knk s TYR 123 CO 0.34 -0.47 1.72 0.00 -1.11 0.00 0.00 175.55 176.03 3knk s ALA 124 N 2.22 2.30 0.00 3.71 0.00 -1.26 -0.12 121.76 128.61 3knk s ALA 124 Ca -0.05 -2.05 0.00 0.00 0.00 0.00 0.00 51.96 49.85 3knk s ALA 124 Cb -0.10 -4.57 0.00 0.00 0.00 0.00 0.00 23.12 18.45 3knk s ALA 124 CO -0.14 -4.20 0.00 0.41 0.00 0.00 0.00 175.76 171.83 3knk n GLY 125 N 6.58 3.10 0.00 0.00 0.00 -1.26 -4.70 105.19 108.91 3knk n GLY 125 Ca 0.39 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3knk n GLY 125 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3knk n PRO 126 N 0.00 2.80 -1.87 1.61 -0.04 -1.26 -4.47 135.00 131.77 3knk n PRO 126 Ca 0.00 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.44 3knk n PRO 126 Cb 0.00 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.45 3knk n PRO 126 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3knk n ASP 127 N 0.00 -1.83 -4.10 3.54 9.92 -1.26 -4.64 116.55 118.18 3knk n ASP 127 Ca 0.00 0.45 -0.36 0.00 -0.53 0.00 0.00 54.79 54.35 3knk n ASP 127 Cb 0.00 -2.42 -0.07 0.00 -0.64 0.00 0.00 41.12 37.99 3knk n ASP 127 CO 0.00 0.00 0.00 -1.38 0.13 0.00 0.00 177.20 175.95 3knk s HIS 128 N -0.27 3.83 0.00 1.24 -3.43 -1.26 -4.98 115.29 110.42 3knk s HIS 128 Ca -0.08 -3.01 0.00 0.00 -0.80 0.00 0.00 55.06 51.17 3knk s HIS 128 Cb 0.01 -3.21 0.00 0.00 -1.43 0.00 0.00 32.58 27.94 3knk s HIS 128 CO 0.26 -0.74 0.00 -2.30 -2.00 0.00 0.00 174.74 169.97 3knk n PRO 129 N 2.43 0.00 -3.63 -0.38 -0.01 -1.26 -4.39 135.00 127.76 3knk n PRO 129 Ca 0.20 0.00 -0.03 0.00 -0.01 0.00 0.00 63.50 63.66 3knk n PRO 129 Cb 0.37 -0.16 -0.05 0.00 -0.01 0.00 0.00 33.50 33.65 3knk n PRO 129 CO 0.00 0.00 0.00 -3.38 -0.01 0.00 0.00 175.50 172.11 3knk s HIS 130 N 0.00 -1.16 -0.45 6.00 -3.43 -1.26 -5.08 115.29 109.90 3knk s HIS 130 Ca 0.00 2.13 0.09 0.00 -0.80 0.00 0.00 55.06 56.48 3knk s HIS 130 Cb 0.00 0.70 0.38 0.00 -1.43 0.00 0.00 32.58 32.22 3knk s HIS 130 CO 0.00 -0.58 0.92 0.94 -2.00 0.00 0.00 174.74 174.03 3knk n GLN 131 N 4.90 2.35 -2.21 -0.38 -0.06 -1.26 -4.87 117.38 115.85 3knk n GLN 131 Ca -0.15 -4.14 -0.33 0.00 -2.00 0.00 0.00 57.00 50.37 3knk n GLN 131 Cb 0.53 -1.95 0.02 0.00 -4.06 0.00 0.00 30.24 24.79 3knk n GLN 131 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3knk n ALA 132 N -0.13 5.79 0.00 1.69 0.00 -1.26 -4.99 120.51 121.61 3knk n ALA 132 Ca 0.28 -4.23 0.00 0.00 0.00 0.00 0.00 53.44 49.49 3knk n ALA 132 Cb 0.59 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.78 3knk n ALA 132 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3knk n GLN 133 N -0.51 0.00 0.00 0.00 7.27 -1.26 -5.03 117.38 117.85 3knk n GLN 133 Ca 0.46 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.53 3knk n GLN 133 Cb 0.45 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.10 3knk n GLN 133 CO 0.00 0.00 0.00 2.89 0.07 0.00 0.00 177.06 180.02 3knk n ARG 134 N 1.45 0.00 -0.82 3.69 -4.01 -1.26 -4.93 116.66 110.78 3knk n ARG 134 Ca 0.00 0.00 -0.26 0.00 -1.04 0.00 0.00 57.85 56.55 3knk n ARG 134 Cb 0.00 0.00 0.01 0.00 -3.04 0.00 0.00 32.46 29.43 3knk n ARG 134 CO 0.00 0.00 0.00 -2.30 -3.04 0.00 0.00 177.63 172.29 3knk n PRO 135 N 0.00 0.00 -4.39 2.89 -0.02 -1.19 -3.66 135.00 128.63 3knk n PRO 135 Ca 0.00 0.00 -0.31 0.00 -2.02 0.00 0.00 63.50 61.17 3knk n PRO 135 Cb 0.00 -0.68 -0.10 0.00 -0.02 0.00 0.00 33.50 32.70 3knk n PRO 135 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3knk s GLU 136 N -0.79 2.38 0.02 -0.52 -6.30 -1.26 0.14 118.70 112.37 3knk s GLU 136 Ca 0.37 -0.85 -0.13 0.00 -2.50 0.00 0.00 54.97 51.86 3knk s GLU 136 Cb -0.30 -2.41 0.02 0.00 0.00 0.00 0.00 34.13 31.43 3knk s GLU 136 CO 0.47 0.56 0.27 0.15 0.02 0.00 0.00 175.26 176.73 3knk s LYS 137 N -1.73 0.72 -0.29 4.30 1.02 -1.21 -4.92 119.74 117.63 3knk s LYS 137 Ca 0.19 -0.42 -0.11 0.00 0.02 0.00 0.00 55.97 55.65 3knk s LYS 137 Cb -0.11 0.31 -0.04 0.00 -0.52 0.00 0.00 37.83 37.47 3knk s LYS 137 CO 0.10 -0.21 0.18 -0.51 -0.92 0.00 0.00 175.35 173.99 3knk s LEU 138 N -1.78 4.06 0.00 3.17 1.43 -1.26 -4.60 118.68 119.69 3knk s LEU 138 Ca -0.08 -0.15 0.00 0.00 -1.03 0.00 0.00 54.13 52.87 3knk s LEU 138 Cb -0.03 -2.09 0.00 0.00 0.03 0.00 0.00 46.19 44.10 3knk s LEU 138 CO -0.01 -0.09 0.00 -0.62 0.23 0.00 0.00 176.35 175.86