#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kni s LYS 2 N 0.00 0.16 0.38 2.12 3.01 -1.26 -5.18 119.74 118.97 3kni s LYS 2 Ca 0.00 0.12 0.08 0.00 -1.01 0.00 0.00 55.97 55.15 3kni s LYS 2 Cb 0.00 0.08 -0.07 0.00 -1.01 0.00 0.00 37.83 36.82 3kni s LYS 2 CO 0.00 -0.03 -0.02 0.99 0.51 0.00 0.00 175.35 176.79 3kni s THR 3 N -0.39 2.01 0.00 2.17 2.01 -1.26 -5.01 115.64 115.18 3kni s THR 3 Ca 0.07 -2.07 0.00 0.00 0.31 0.00 0.00 61.69 60.00 3kni s THR 3 Cb -0.03 -2.86 0.00 0.00 0.01 0.00 0.00 72.50 69.62 3kni s THR 3 CO -0.11 -0.07 0.00 -1.22 -0.69 0.00 0.00 174.62 172.53 3kni n TYR 4 N -0.89 0.00 -0.67 4.92 4.02 -1.26 -5.05 117.16 118.24 3kni n TYR 4 Ca -0.05 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.67 3kni n TYR 4 Cb 0.66 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.91 3kni n TYR 4 CO 0.00 0.00 0.00 1.55 -1.01 0.00 0.00 176.86 177.40 3kni n VAL 5 N -0.40 0.00 -2.46 -0.72 3.14 -1.26 -4.83 118.33 111.80 3kni n VAL 5 Ca 0.00 -0.02 -0.37 0.00 -2.96 0.00 0.00 64.34 60.99 3kni n VAL 5 Cb 0.00 -0.20 -0.03 0.00 -1.06 0.00 0.00 33.84 32.55 3kni n VAL 5 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 3kni s PRO 6 N 3.92 4.05 0.00 1.45 0.04 -1.26 -5.05 135.00 138.16 3kni s PRO 6 Ca 0.60 1.60 0.00 0.00 0.04 0.00 0.00 61.00 63.24 3kni s PRO 6 Cb -0.54 -2.51 0.00 0.00 0.04 0.00 0.00 34.50 31.48 3kni s PRO 6 CO 0.22 -0.26 0.00 1.63 0.04 0.00 0.00 177.00 178.63 3kni n LYS 7 N -0.17 1.89 -2.86 4.56 5.02 -1.26 -4.91 118.16 120.42 3kni n LYS 7 Ca 0.06 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.93 3kni n LYS 7 Cb 0.49 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.46 3kni n LYS 7 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3kni s GLN 8 N 0.00 4.22 0.21 1.97 -0.21 -1.26 -5.04 119.66 119.55 3kni s GLN 8 Ca 0.00 1.02 0.05 0.00 0.02 0.00 0.00 55.36 56.45 3kni s GLN 8 Cb 0.00 -3.63 -0.03 0.00 1.00 0.00 0.00 33.01 30.35 3kni s GLN 8 CO 0.00 -0.49 0.23 0.08 -2.12 0.00 0.00 175.29 172.99 3kni s VAL 9 N 2.75 4.78 -0.43 1.09 1.01 -1.26 -5.08 120.40 123.25 3kni s VAL 9 Ca 0.37 -1.12 -0.21 0.00 0.00 0.00 0.00 61.98 61.01 3kni s VAL 9 Cb -0.15 -3.53 0.02 0.00 0.00 0.00 0.00 36.38 32.71 3kni s VAL 9 CO 0.08 -0.25 0.69 -0.70 0.00 0.00 0.00 175.10 174.92 3kni s GLU 10 N -3.60 3.39 0.36 2.72 2.56 -1.26 -5.03 118.70 117.83 3kni s GLU 10 Ca 0.33 -0.21 -0.26 0.00 0.00 0.00 0.00 54.97 54.83 3kni s GLU 10 Cb -0.09 -3.92 -0.12 0.00 2.00 0.00 0.00 34.13 31.99 3kni s GLU 10 CO 0.26 -1.00 0.95 -0.35 -0.56 0.00 0.00 175.26 174.56 3kni n PRO 11 N 6.38 1.26 -3.09 4.30 -0.04 -1.26 -5.02 135.00 137.54 3kni n PRO 11 Ca -0.00 0.45 -0.23 0.00 -0.04 0.00 0.00 63.50 63.68 3kni n PRO 11 Cb 0.48 -1.89 0.01 0.00 -0.04 0.00 0.00 33.50 32.05 3kni n PRO 11 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 3kni s ARG 12 N -1.77 3.14 -0.05 0.54 6.06 -1.26 -4.95 118.95 120.66 3kni s ARG 12 Ca 0.61 -0.50 0.02 0.00 -2.50 0.00 0.00 55.73 53.36 3kni s ARG 12 Cb -0.62 -2.60 0.01 0.00 0.06 0.00 0.00 34.95 31.80 3kni s ARG 12 CO 0.58 -0.17 -0.10 -1.58 -2.50 0.00 0.00 175.30 171.53 3kni s TRP 13 N -2.49 1.24 -0.11 5.12 0.52 -1.26 -0.67 118.94 121.30 3kni s TRP 13 Ca 0.47 -0.42 0.02 0.00 0.02 0.00 0.00 56.10 56.19 3kni s TRP 13 Cb -0.10 -0.93 -0.01 0.00 -1.15 0.00 0.00 33.47 31.28 3kni s TRP 13 CO 0.37 -0.22 -0.18 0.08 0.02 0.00 0.00 176.95 177.02 3kni s VAL 14 N 0.60 2.64 -0.30 4.03 1.01 0.38 -0.81 120.40 127.95 3kni s VAL 14 Ca -0.12 -0.82 -0.07 0.00 0.00 0.00 0.00 61.98 60.97 3kni s VAL 14 Cb -0.14 -2.06 0.01 0.00 0.00 0.00 0.00 36.38 34.18 3kni s VAL 14 CO 0.02 0.55 0.09 -0.22 0.00 0.00 0.00 175.10 175.54 3kni s LEU 15 N 0.21 3.86 -0.26 3.92 1.98 -1.00 0.82 118.68 128.21 3kni s LEU 15 Ca -0.11 -0.67 -0.03 0.00 -2.89 0.00 0.00 54.13 50.43 3kni s LEU 15 Cb -0.16 -1.89 0.08 0.00 0.66 0.00 0.00 46.19 44.88 3kni s LEU 15 CO 0.06 -0.19 0.09 -0.51 -1.89 0.00 0.00 176.35 173.91 3kni s ILE 16 N 1.51 0.43 -0.36 6.68 2.07 -1.25 -1.55 121.20 128.72 3kni s ILE 16 Ca 0.03 -0.86 -0.11 0.00 -1.41 0.00 0.00 60.65 58.30 3kni s ILE 16 Cb -0.17 -1.19 0.02 0.00 0.13 0.00 0.00 42.46 41.24 3kni s ILE 16 CO 0.03 -0.52 0.20 -0.62 -1.91 0.00 0.00 174.94 172.12 3kni s ASP 17 N 1.87 5.73 -0.28 4.50 3.68 -1.26 -1.84 116.67 129.06 3kni s ASP 17 Ca 0.06 -0.84 -0.01 0.00 2.13 0.00 0.00 52.55 53.89 3kni s ASP 17 Cb -0.17 -2.03 0.05 0.00 -1.45 0.00 0.00 42.92 39.32 3kni s ASP 17 CO -0.22 -0.33 -0.04 0.00 0.13 0.00 0.00 175.17 174.71 3kni s ALA 18 N 1.59 2.74 -0.17 3.66 0.00 -1.26 -4.91 121.76 123.40 3kni s ALA 18 Ca 0.03 -1.73 0.12 0.00 0.00 0.00 0.00 51.96 50.38 3kni s ALA 18 Cb -0.19 -1.82 -0.19 0.00 0.00 0.00 0.00 23.12 20.93 3kni s ALA 18 CO 0.07 -1.20 0.01 -0.85 0.00 0.00 0.00 175.76 173.79 3kni n GLU 19 N 4.58 1.19 -1.22 0.00 0.28 -1.26 -4.46 120.64 119.75 3kni n GLU 19 Ca -0.14 0.01 -0.15 0.00 -0.16 0.00 0.00 57.16 56.72 3kni n GLU 19 Cb 0.43 -1.42 0.13 0.00 1.43 0.00 0.00 31.44 32.02 3kni n GLU 19 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3kni n GLY 20 N 2.08 5.43 3.65 -1.84 0.00 -1.26 -2.30 105.19 110.95 3kni n GLY 20 Ca -0.28 -1.76 -0.30 0.00 0.00 0.00 0.00 46.02 43.67 3kni n GLY 20 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3kni s LYS 21 N -3.44 2.46 -0.06 1.61 2.20 -1.26 -4.71 119.74 116.53 3kni s LYS 21 Ca 0.50 -0.86 -0.30 0.00 -0.36 0.00 0.00 55.97 54.96 3kni s LYS 21 Cb 0.43 -2.49 -0.06 0.00 -1.51 0.00 0.00 37.83 34.21 3kni s LYS 21 CO 0.01 0.54 1.67 0.99 -0.36 0.00 0.00 175.35 178.21 3kni s THR 22 N -1.25 3.56 0.32 3.43 2.01 -1.26 -0.49 115.64 121.96 3kni s THR 22 Ca 0.23 0.67 -0.29 0.00 0.31 0.00 0.00 61.69 62.62 3kni s THR 22 Cb -0.11 -3.44 -0.10 0.00 0.01 0.00 0.00 72.50 68.85 3kni s THR 22 CO 0.16 -0.07 1.22 -0.22 -0.69 0.00 0.00 174.62 175.01 3kni s LEU 23 N 4.18 4.46 0.00 4.42 0.20 -1.15 -1.31 118.68 129.49 3kni s LEU 23 Ca 0.74 2.51 0.00 0.00 0.69 0.00 0.00 54.13 58.07 3kni s LEU 23 Cb -0.33 -3.66 0.00 0.00 -0.43 0.00 0.00 46.19 41.77 3kni s LEU 23 CO 0.30 -0.39 0.00 0.61 -0.29 0.00 0.00 176.35 176.58 3kni n GLY 24 N 0.94 3.14 0.01 7.98 0.00 -1.26 -4.63 105.19 111.37 3kni n GLY 24 Ca -0.00 -0.87 0.12 0.00 0.00 0.00 0.00 46.02 45.27 3kni n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kni n ARG 25 N 0.00 0.03 -0.11 1.61 1.74 -0.83 -2.77 116.66 116.33 3kni n ARG 25 Ca 0.00 0.01 -0.23 0.00 -0.77 0.00 0.00 57.85 56.86 3kni n ARG 25 Cb 0.00 -1.52 -0.12 0.00 -1.02 0.00 0.00 32.46 29.81 3kni n ARG 25 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 3kni n LEU 26 N -1.56 2.42 -0.08 0.55 7.94 -0.43 -4.39 117.00 121.45 3kni n LEU 26 Ca 0.06 0.16 -0.11 0.00 -1.11 0.00 0.00 56.01 55.01 3kni n LEU 26 Cb 0.35 -0.92 -0.08 0.00 0.53 0.00 0.00 43.42 43.30 3kni n LEU 26 CO 0.34 0.71 0.50 0.00 -1.11 0.00 0.00 177.39 177.83 3kni h ALA 27 N -0.40 -0.70 -0.67 1.96 0.00 -1.81 0.80 119.26 118.43 3kni h ALA 27 Ca -0.57 -0.01 0.21 0.00 0.00 0.00 0.00 54.91 54.54 3kni h ALA 27 Cb 1.74 1.00 -0.12 0.00 0.00 0.00 0.00 17.79 20.40 3kni h ALA 27 CO -0.20 -0.89 0.12 -2.37 0.00 0.00 0.00 179.25 175.91 3kni n THR 28 N -4.74 -0.28 0.15 0.00 5.66 -1.11 -0.44 114.28 113.50 3kni n THR 28 Ca -0.03 1.44 -0.08 0.00 -3.05 0.00 0.00 64.05 62.32 3kni n THR 28 Cb 0.27 -2.17 -0.04 0.00 -1.55 0.00 0.00 70.33 66.84 3kni n THR 28 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 175.07 172.13 3kni h LYS 29 N 0.00 -0.43 -0.96 1.09 1.57 -1.10 -3.07 116.57 113.67 3kni h LYS 29 Ca 0.46 0.03 0.24 0.00 -1.87 0.00 0.00 60.65 59.51 3kni h LYS 29 Cb 1.04 0.10 -0.13 0.00 0.08 0.00 0.00 32.23 33.33 3kni h LYS 29 CO -0.59 -0.23 0.50 0.82 -0.57 0.00 0.00 179.45 179.38 3kni h ILE 30 N -1.09 0.49 -0.23 1.86 2.04 0.51 0.26 117.51 121.35 3kni h ILE 30 Ca -0.05 -0.17 0.03 0.00 1.00 0.00 0.00 64.86 65.68 3kni h ILE 30 Cb 0.41 -0.03 -0.03 0.00 -0.74 0.00 0.00 36.82 36.42 3kni h ILE 30 CO 0.08 0.09 0.06 0.00 0.00 0.00 0.00 178.15 178.37 3kni h ALA 31 N 1.73 0.25 -0.09 1.87 0.00 -0.94 -1.85 119.26 120.23 3kni h ALA 31 Ca 0.61 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 55.48 3kni h ALA 31 Cb 1.18 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 3kni h ALA 31 CO -0.51 -0.36 -0.31 1.15 0.00 0.00 0.00 179.25 179.22 3kni h THR 32 N 0.15 1.25 -0.16 0.00 2.02 -0.43 -1.12 112.91 114.61 3kni h THR 32 Ca 0.11 -1.19 -0.10 0.00 0.77 0.00 0.00 66.41 65.99 3kni h THR 32 Cb 0.09 1.53 -0.01 0.00 -1.74 0.00 0.00 68.15 68.02 3kni h THR 32 CO -0.13 0.35 -0.36 -0.07 0.37 0.00 0.00 175.52 175.69 3kni h LEU 33 N 0.14 0.35 0.11 2.58 4.07 -0.93 -3.23 115.31 118.41 3kni h LEU 33 Ca 0.02 -0.14 -0.01 0.00 0.08 0.00 0.00 57.88 57.84 3kni h LEU 33 Cb 0.62 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 42.26 3kni h LEU 33 CO 0.04 0.69 -0.05 -0.07 -1.08 0.00 0.00 178.44 177.97 3kni h LEU 34 N 0.29 -0.13 -9.86 1.67 -0.00 -0.38 -3.09 115.31 103.82 3kni h LEU 34 Ca 0.03 0.00 -0.53 0.00 -0.00 0.00 0.00 57.88 57.39 3kni h LEU 34 Cb 0.77 0.03 0.07 0.00 -0.00 0.00 0.00 40.66 41.53 3kni h LEU 34 CO 0.06 -0.09 0.69 -0.13 -0.00 0.00 0.00 178.44 178.97 3kni s ARG 35 N -3.28 4.29 0.00 1.13 0.52 -0.92 -3.74 118.95 116.95 3kni s ARG 35 Ca -0.02 2.30 0.00 0.00 -0.52 0.00 0.00 55.73 57.49 3kni s ARG 35 Cb 0.00 -3.06 0.00 0.00 0.52 0.00 0.00 34.95 32.41 3kni s ARG 35 CO 0.07 -0.31 0.50 0.41 0.02 0.00 0.00 175.30 175.99 3kni n GLY 36 N 1.07 -0.12 0.00 -3.53 0.00 -1.10 -4.14 105.19 97.37 3kni n GLY 36 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3kni n GLY 36 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3kni n LYS 37 N -1.00 0.00 0.27 1.61 3.00 -1.25 0.34 118.16 121.12 3kni n LYS 37 Ca 0.00 0.00 0.17 0.00 -0.00 0.00 0.00 58.31 58.48 3kni n LYS 37 Cb 0.09 0.00 0.61 0.00 0.00 0.00 0.00 35.03 35.73 3kni n LYS 37 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.40 178.52 3kni h HIS 38 N 0.00 0.00 -3.37 5.64 2.07 -1.72 -3.43 115.15 114.34 3kni h HIS 38 Ca 0.00 0.00 -0.64 0.00 -2.85 0.00 0.00 60.37 56.88 3kni h HIS 38 Cb 0.00 0.00 -0.22 0.00 2.57 0.00 0.00 27.41 29.76 3kni h HIS 38 CO 0.00 0.00 -0.65 -0.98 -3.07 0.00 0.00 177.93 173.23 3kni s ARG 39 N -3.60 3.68 0.33 5.12 1.04 0.15 -5.00 118.95 120.68 3kni s ARG 39 Ca 0.02 -0.50 0.23 0.00 -1.04 0.00 0.00 55.73 54.45 3kni s ARG 39 Cb 0.08 -3.03 0.80 0.00 -2.04 0.00 0.00 34.95 30.76 3kni s ARG 39 CO 0.56 0.13 0.83 -0.35 -0.04 0.00 0.00 175.30 176.43 3kni n PRO 40 N 3.89 0.00 0.51 3.89 -0.04 -1.26 -1.96 135.00 140.03 3kni n PRO 40 Ca -0.17 0.61 -0.21 0.00 -0.04 0.00 0.00 63.50 63.69 3kni n PRO 40 Cb 0.52 -1.44 -0.10 0.00 -0.04 0.00 0.00 33.50 32.44 3kni n PRO 40 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3kni h ASP 41 N 0.00 -1.18 -3.22 3.54 3.32 -1.94 -3.47 116.42 113.46 3kni h ASP 41 Ca 0.44 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.54 3kni h ASP 41 Cb 1.98 0.32 0.00 0.00 0.22 0.00 0.00 39.33 41.85 3kni h ASP 41 CO -0.00 -0.81 -0.27 1.87 -1.72 0.00 0.00 179.24 178.31 3kni n TRP 42 N -5.65 0.00 -3.73 4.55 -0.00 -0.83 -4.93 117.44 106.85 3kni n TRP 42 Ca -0.16 0.00 -0.38 0.00 -0.00 0.00 0.00 57.50 56.96 3kni n TRP 42 Cb 0.53 -0.46 -0.12 0.00 -0.00 0.00 0.00 31.31 31.25 3kni n TRP 42 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 177.69 178.68 3kni s THR 43 N -0.27 4.17 -2.00 5.87 2.01 -1.26 -4.96 115.64 119.19 3kni s THR 43 Ca 0.00 -0.59 0.01 0.00 0.31 0.00 0.00 61.69 61.42 3kni s THR 43 Cb 0.00 -3.13 0.02 0.00 0.01 0.00 0.00 72.50 69.40 3kni s THR 43 CO 0.00 0.09 0.30 -0.81 -0.69 0.00 0.00 174.62 173.51 3kni n PRO 44 N 4.90 0.05 -2.73 4.92 -0.05 -1.26 -3.06 135.00 137.77 3kni n PRO 44 Ca -0.14 0.00 -0.03 0.00 -0.05 0.00 0.00 63.50 63.27 3kni n PRO 44 Cb 0.48 -1.23 0.08 0.00 -0.05 0.00 0.00 33.50 32.79 3kni n PRO 44 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 175.50 175.72 3kni n ASN 45 N -0.73 0.14 0.09 3.54 0.23 -1.26 -5.02 115.26 112.25 3kni n ASN 45 Ca 0.01 -2.28 0.00 0.00 -0.53 0.00 0.00 54.58 51.78 3kni n ASN 45 Cb 0.00 0.07 0.00 0.00 -2.08 0.00 0.00 39.78 37.78 3kni n ASN 45 CO 0.00 0.00 0.00 0.55 -0.93 0.00 0.00 177.26 176.88 3kni n VAL 46 N -0.77 0.19 0.00 3.53 3.14 -1.17 -5.08 118.33 118.17 3kni n VAL 46 Ca -0.01 0.06 0.00 0.00 -2.96 0.00 0.00 64.34 61.43 3kni n VAL 46 Cb 0.83 -0.74 0.00 0.00 -1.06 0.00 0.00 33.84 32.87 3kni n VAL 46 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3kni n ALA 47 N -3.21 0.00 -2.13 1.55 0.00 -1.26 -5.06 120.51 110.39 3kni n ALA 47 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 3kni n ALA 47 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.49 3kni n ALA 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kni n MET 48 N 0.00 3.12 -4.40 0.00 0.00 -1.26 -4.91 117.12 109.67 3kni n MET 48 Ca 0.00 -3.03 -0.24 0.00 0.00 0.00 0.00 57.70 54.43 3kni n MET 48 Cb 0.00 -3.25 -0.11 0.00 0.00 0.00 0.00 33.22 29.86 3kni n MET 48 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 3kni s GLY 49 N 2.97 1.63 0.00 3.17 0.00 -1.24 -2.71 107.32 111.14 3kni s GLY 49 Ca 0.47 -1.64 0.00 0.00 0.00 0.00 0.00 44.72 43.54 3kni s GLY 49 CO -0.03 -1.70 0.00 1.22 0.00 0.00 0.00 173.10 172.60 3kni n ASP 50 N 0.06 -1.08 -4.07 1.64 9.92 -1.17 -4.60 116.55 117.25 3kni n ASP 50 Ca -0.11 -0.42 -0.30 0.00 -0.53 0.00 0.00 54.79 53.43 3kni n ASP 50 Cb 0.57 0.00 -0.17 0.00 -0.64 0.00 0.00 41.12 40.89 3kni n ASP 50 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 3kni s PHE 51 N -0.96 2.22 -0.37 1.24 0.40 0.15 -4.81 117.98 115.85 3kni s PHE 51 Ca 0.00 -1.16 -0.15 0.00 -0.60 0.00 0.00 56.93 55.03 3kni s PHE 51 Cb 0.00 -1.59 -0.00 0.00 0.51 0.00 0.00 43.02 41.94 3kni s PHE 51 CO 0.00 -0.59 0.31 0.08 0.70 0.00 0.00 175.22 175.71 3kni s VAL 52 N 1.16 5.23 -0.78 -0.44 1.01 -1.26 -0.47 120.40 124.84 3kni s VAL 52 Ca -0.02 -0.30 -0.00 0.00 0.00 0.00 0.00 61.98 61.66 3kni s VAL 52 Cb -0.14 -3.84 0.36 0.00 0.00 0.00 0.00 36.38 32.76 3kni s VAL 52 CO -0.06 -0.16 1.80 0.52 0.00 0.00 0.00 175.10 177.20 3kni n VAL 53 N 5.19 3.60 -1.10 2.92 0.31 0.24 -1.63 118.33 127.87 3kni n VAL 53 Ca -0.11 -4.63 -0.37 0.00 -0.01 0.00 0.00 64.34 59.22 3kni n VAL 53 Cb 0.49 -1.28 -0.02 0.00 -0.91 0.00 0.00 33.84 32.12 3kni n VAL 53 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 3kni n VAL 54 N -0.47 1.30 -4.18 2.52 0.31 -1.18 -3.96 118.33 112.66 3kni n VAL 54 Ca 0.50 -0.40 -0.11 0.00 -0.01 0.00 0.00 64.34 64.32 3kni n VAL 54 Cb 0.32 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 33.15 3kni n VAL 54 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3kni s VAL 55 N -0.96 0.39 -0.63 2.52 0.11 -0.77 -3.19 120.40 117.88 3kni s VAL 55 Ca 0.50 -1.92 -0.11 0.00 -2.93 0.00 0.00 61.98 57.52 3kni s VAL 55 Cb -0.68 -1.95 0.01 0.00 -1.53 0.00 0.00 36.38 32.23 3kni s VAL 55 CO 0.46 -0.59 0.65 -3.20 -3.33 0.00 0.00 175.10 169.09 3kni n ASN 56 N -0.11 -6.87 -3.37 3.54 4.05 -0.76 -4.12 115.26 107.62 3kni n ASN 56 Ca -0.08 -0.11 0.00 0.00 0.45 0.00 0.00 54.58 54.85 3kni n ASN 56 Cb 0.63 -4.00 0.00 0.00 1.23 0.00 0.00 39.78 37.64 3kni n ASN 56 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3kni n ALA 57 N -1.30 0.00 -0.50 5.20 0.00 0.11 -4.50 120.51 119.52 3kni n ALA 57 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 3kni n ALA 57 Cb 0.56 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.01 3kni n ALA 57 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3kni n ASP 58 N 0.00 -0.00 0.00 0.00 5.75 -1.26 -4.47 116.55 116.56 3kni n ASP 58 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 3kni n ASP 58 Cb 0.00 -1.50 0.00 0.00 -1.03 0.00 0.00 41.12 38.59 3kni n ASP 58 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3kni n LYS 59 N -2.16 0.00 -1.62 0.11 4.76 -1.26 -4.84 118.16 113.16 3kni n LYS 59 Ca -0.00 0.00 -0.63 0.00 -2.87 0.00 0.00 58.31 54.81 3kni n LYS 59 Cb 0.42 0.00 -0.09 0.00 -1.84 0.00 0.00 35.03 33.52 3kni n LYS 59 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 3kni n ILE 60 N 0.00 0.00 -1.63 -0.18 5.41 -0.97 -4.50 119.36 117.49 3kni n ILE 60 Ca 0.00 0.00 -0.38 0.00 1.00 0.00 0.00 62.75 63.37 3kni n ILE 60 Cb 0.00 -0.28 0.05 0.00 -0.71 0.00 0.00 39.64 38.70 3kni n ILE 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 3kni n ARG 61 N 2.88 0.91 -4.24 0.38 5.12 0.36 -4.81 116.66 117.26 3kni n ARG 61 Ca 0.26 0.35 -0.14 0.00 -1.93 0.00 0.00 57.85 56.40 3kni n ARG 61 Cb 0.00 -2.20 -0.10 0.00 -1.16 0.00 0.00 32.46 29.00 3kni n ARG 61 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3kni s VAL 62 N -1.50 0.16 0.00 1.55 0.11 -1.26 -2.92 120.40 116.54 3kni s VAL 62 Ca 0.77 -2.00 0.00 0.00 -2.93 0.00 0.00 61.98 57.82 3kni s VAL 62 Cb -0.41 -2.54 0.00 0.00 -1.53 0.00 0.00 36.38 31.90 3kni s VAL 62 CO 0.46 0.00 0.00 0.41 -3.33 0.00 0.00 175.10 172.64 3kni n THR 63 N -0.34 0.00 0.00 5.04 -1.04 -1.26 -5.04 114.28 111.64 3kni n THR 63 Ca 0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.03 3kni n THR 63 Cb 0.66 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.17 3kni n THR 63 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3kni n GLY 64 N 1.45 0.28 1.13 3.41 0.00 -1.26 -2.03 105.19 108.17 3kni n GLY 64 Ca 0.00 0.06 0.03 0.00 0.00 0.00 0.00 46.02 46.11 3kni n GLY 64 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kni n LYS 65 N 1.32 1.20 -0.25 1.61 4.01 -1.26 -4.87 118.16 119.92 3kni n LYS 65 Ca 0.00 -2.93 0.06 0.00 -0.51 0.00 0.00 58.31 54.93 3kni n LYS 65 Cb 0.00 -1.11 0.18 0.00 -0.51 0.00 0.00 35.03 33.59 3kni n LYS 65 CO 0.00 0.00 0.00 0.87 -1.11 0.00 0.00 177.40 177.16 3kni h LYS 66 N 1.17 0.26 -3.66 1.97 1.57 -1.79 -0.01 116.57 116.08 3kni h LYS 66 Ca -0.06 -0.02 -0.67 0.00 -1.87 0.00 0.00 60.65 58.03 3kni h LYS 66 Cb 1.37 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.61 3kni h LYS 66 CO 0.10 0.17 3.29 1.28 -0.57 0.00 0.00 179.45 183.72 3kni n LEU 67 N -5.16 7.20 0.00 2.94 4.32 -1.26 0.03 117.00 125.07 3kni n LEU 67 Ca 0.14 -4.05 0.00 0.00 -0.02 0.00 0.00 56.01 52.09 3kni n LEU 67 Cb 0.46 -1.55 0.00 0.00 -1.62 0.00 0.00 43.42 40.72 3kni n LEU 67 CO 0.12 1.30 0.00 -0.62 -1.22 0.00 0.00 177.39 176.97 3kni n GLU 68 N 5.20 0.00 0.00 3.23 -0.58 -0.99 -4.57 120.64 122.93 3kni n GLU 68 Ca 0.61 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.35 3kni n GLU 68 Cb 0.32 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.19 3kni n GLU 68 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 3kni n GLN 69 N 0.00 4.62 -2.64 3.49 6.02 -0.05 -4.86 117.38 123.96 3kni n GLN 69 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.56 3kni n GLN 69 Cb 0.00 -0.56 -0.03 0.00 1.02 0.00 0.00 30.24 30.67 3kni n GLN 69 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 3kni s LYS 70 N -1.09 3.60 -0.29 -1.09 2.20 0.10 -4.98 119.74 118.21 3kni s LYS 70 Ca 0.00 0.35 -0.06 0.00 -0.36 0.00 0.00 55.97 55.90 3kni s LYS 70 Cb 0.00 -3.96 0.01 0.00 -1.51 0.00 0.00 37.83 32.38 3kni s LYS 70 CO 0.00 -1.48 0.05 0.42 -0.36 0.00 0.00 175.35 173.99 3kni s ILE 71 N 4.51 3.74 0.38 5.43 1.01 -1.26 -1.35 121.20 133.67 3kni s ILE 71 Ca 0.44 -0.79 -0.15 0.00 0.00 0.00 0.00 60.65 60.15 3kni s ILE 71 Cb -0.08 -2.94 -0.09 0.00 0.01 0.00 0.00 42.46 39.37 3kni s ILE 71 CO 0.28 0.08 0.81 -0.31 0.00 0.00 0.00 174.94 175.81 3kni s TYR 72 N 1.46 3.39 0.08 3.97 1.51 -0.39 -4.80 117.35 122.57 3kni s TYR 72 Ca 0.02 1.28 0.06 0.00 -1.01 0.00 0.00 57.07 57.42 3kni s TYR 72 Cb -0.17 -2.60 -0.03 0.00 -0.11 0.00 0.00 41.96 39.05 3kni s TYR 72 CO 0.01 -0.05 -0.17 0.99 -1.11 0.00 0.00 175.55 175.22 3kni s THR 73 N -2.19 1.38 -0.02 -0.71 2.01 -1.26 -0.70 115.64 114.16 3kni s THR 73 Ca 0.55 -1.36 0.01 0.00 0.31 0.00 0.00 61.69 61.20 3kni s THR 73 Cb -0.10 -1.28 0.01 0.00 0.01 0.00 0.00 72.50 71.14 3kni s THR 73 CO 0.21 -0.11 -0.04 -0.13 -0.69 0.00 0.00 174.62 173.87 3kni s ARG 74 N -1.71 0.49 -0.38 4.92 0.52 -0.80 -4.95 118.95 117.03 3kni s ARG 74 Ca 0.02 -0.09 -0.00 0.00 -0.52 0.00 0.00 55.73 55.14 3kni s ARG 74 Cb -0.10 -0.53 0.10 0.00 0.52 0.00 0.00 34.95 34.95 3kni s ARG 74 CO 0.03 -0.00 0.13 -0.47 0.02 0.00 0.00 175.30 175.01 3kni s TYR 75 N 0.44 3.65 -0.50 -0.53 5.04 -1.24 -0.87 117.35 123.33 3kni s TYR 75 Ca -0.05 -2.63 -0.06 0.00 -2.44 0.00 0.00 57.07 51.89 3kni s TYR 75 Cb -0.08 -3.06 -0.17 0.00 0.35 0.00 0.00 41.96 39.00 3kni s TYR 75 CO -0.00 -0.96 2.92 -1.13 -1.34 0.00 0.00 175.55 175.04 3kni n SER 76 N 4.46 5.44 -0.18 4.32 3.41 -0.64 -4.79 113.62 125.64 3kni n SER 76 Ca -0.00 -2.37 0.00 0.00 -0.26 0.00 0.00 58.87 56.24 3kni n SER 76 Cb 0.42 -1.25 0.00 0.00 -0.26 0.00 0.00 64.21 63.11 3kni n SER 76 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kni n GLY 77 N 2.98 0.00 3.65 5.00 0.00 -1.26 -4.76 105.19 110.80 3kni n GLY 77 Ca 0.47 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.25 3kni n GLY 77 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kni s TYR 78 N 0.00 2.59 0.29 1.61 1.51 -1.26 -5.03 117.35 117.05 3kni s TYR 78 Ca 0.00 -0.41 -0.29 0.00 -1.01 0.00 0.00 57.07 55.35 3kni s TYR 78 Cb 0.00 -1.51 -0.10 0.00 -0.11 0.00 0.00 41.96 40.24 3kni s TYR 78 CO 0.00 0.45 1.40 -2.14 -1.11 0.00 0.00 175.55 174.16 3kni s PRO 79 N -3.74 4.28 0.00 -1.71 0.02 -1.26 -1.47 135.00 131.11 3kni s PRO 79 Ca 0.35 2.30 0.00 0.00 0.02 0.00 0.00 61.00 63.67 3kni s PRO 79 Cb -0.01 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 31.43 3kni s PRO 79 CO 0.20 -0.36 0.00 0.41 -0.33 0.00 0.00 177.00 176.92 3kni n GLY 80 N 1.60 0.41 0.82 0.52 0.00 -1.26 -4.88 105.19 102.39 3kni n GLY 80 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3kni n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kni n GLY 81 N -1.88 0.55 3.38 -0.02 0.00 -0.55 -4.70 105.19 101.96 3kni n GLY 81 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 3kni n GLY 81 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3kni s LEU 82 N 0.00 5.60 -0.37 0.99 2.96 -1.26 -1.62 118.68 124.98 3kni s LEU 82 Ca 0.00 -1.39 -0.21 0.00 -0.22 0.00 0.00 54.13 52.31 3kni s LEU 82 Cb 0.00 -2.27 0.01 0.00 0.50 0.00 0.00 46.19 44.43 3kni s LEU 82 CO 0.00 -0.85 0.69 -0.54 -1.32 0.00 0.00 176.35 174.33 3kni s LYS 83 N 2.04 3.65 -0.29 1.98 -0.14 -0.05 -4.92 119.74 122.02 3kni s LYS 83 Ca 0.07 0.08 -0.14 0.00 -1.36 0.00 0.00 55.97 54.63 3kni s LYS 83 Cb -0.25 -3.83 -0.04 0.00 -1.68 0.00 0.00 37.83 32.04 3kni s LYS 83 CO 0.07 -0.82 0.31 0.15 -0.76 0.00 0.00 175.35 174.30 3kni s LYS 84 N 2.86 3.91 -0.22 1.68 1.02 -1.26 -1.90 119.74 125.83 3kni s LYS 84 Ca 0.27 -0.16 0.01 0.00 0.02 0.00 0.00 55.97 56.10 3kni s LYS 84 Cb -0.14 -3.68 0.05 0.00 -0.52 0.00 0.00 37.83 33.54 3kni s LYS 84 CO 0.16 -0.29 -0.08 0.42 -0.92 0.00 0.00 175.35 174.65 3kni s ILE 85 N 1.95 1.64 0.72 2.17 1.01 0.12 -4.97 121.20 123.84 3kni s ILE 85 Ca 0.12 -1.17 -0.15 0.00 0.00 0.00 0.00 60.65 59.45 3kni s ILE 85 Cb -0.16 -1.81 0.03 0.00 0.01 0.00 0.00 42.46 40.53 3kni s ILE 85 CO 0.11 0.02 1.18 -2.16 0.00 0.00 0.00 174.94 174.09 3kni s PRO 86 N 1.37 2.28 0.12 2.79 0.04 -1.26 -1.27 135.00 139.07 3kni s PRO 86 Ca -0.04 1.67 -0.24 0.00 0.04 0.00 0.00 61.00 62.42 3kni s PRO 86 Cb -0.18 -1.86 -0.06 0.00 0.04 0.00 0.00 34.50 32.44 3kni s PRO 86 CO -0.07 -1.71 1.66 1.25 0.04 0.00 0.00 177.00 178.17 3kni h LEU 87 N -0.24 -0.56 -0.98 -3.56 6.46 -1.42 -2.10 115.31 112.91 3kni h LEU 87 Ca -0.47 0.08 0.32 0.00 -0.12 0.00 0.00 57.88 57.69 3kni h LEU 87 Cb 1.28 0.23 -0.16 0.00 -0.73 0.00 0.00 40.66 41.29 3kni h LEU 87 CO 0.51 -0.26 0.45 -0.33 -0.62 0.00 0.00 178.44 178.19 3kni h GLU 88 N -0.31 0.20 0.00 1.25 5.08 -1.85 -0.56 114.58 118.40 3kni h GLU 88 Ca 0.06 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3kni h GLU 88 Cb 0.38 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.59 3kni h GLU 88 CO -0.18 0.13 0.00 1.63 -1.00 0.00 0.00 179.01 179.59 3kni n LYS 89 N -5.16 0.00 -0.27 2.33 4.76 -0.79 -0.98 118.16 118.04 3kni n LYS 89 Ca 0.30 0.67 0.21 0.00 -2.87 0.00 0.00 58.31 56.62 3kni n LYS 89 Cb 0.97 -1.50 0.39 0.00 -1.84 0.00 0.00 35.03 33.06 3kni n LYS 89 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 3kni n MET 90 N -2.33 -0.05 0.08 1.97 2.81 -0.24 0.14 117.12 119.49 3kni n MET 90 Ca 0.00 1.15 -0.08 0.00 -1.81 0.00 0.00 57.70 56.97 3kni n MET 90 Cb 0.00 -1.99 -0.07 0.00 -0.71 0.00 0.00 33.22 30.46 3kni n MET 90 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 3kni h LEU 91 N 0.00 0.09 0.00 4.03 3.38 -1.27 0.12 115.31 121.67 3kni h LEU 91 Ca 0.62 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.50 3kni h LEU 91 Cb 1.54 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.26 3kni h LEU 91 CO -0.67 1.00 0.00 0.00 0.09 0.00 0.00 178.44 178.85 3kni n ALA 92 N -2.40 2.49 0.00 1.53 0.00 0.37 -4.33 120.51 118.16 3kni n ALA 92 Ca -0.02 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.26 3kni n ALA 92 Cb 0.89 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.92 3kni n ALA 92 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 3kni n THR 93 N -0.98 0.00 -0.99 0.00 5.66 -0.18 -5.01 114.28 112.78 3kni n THR 93 Ca 0.19 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.19 3kni n THR 93 Cb 0.09 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.87 3kni n THR 93 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 175.07 173.43 3kni n HIS 94 N 0.00 0.00 -0.23 1.09 8.25 -0.51 -3.86 115.22 119.96 3kni n HIS 94 Ca 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.41 3kni n HIS 94 Cb 0.00 -0.45 0.00 0.00 1.12 0.00 0.00 29.99 30.66 3kni n HIS 94 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3kni h PRO 95 N 0.00 -0.15 -0.82 -0.41 0.13 -1.00 0.44 132.00 130.20 3kni h PRO 95 Ca 0.00 0.01 0.31 0.00 -0.87 0.00 0.00 66.00 65.45 3kni h PRO 95 Cb 0.45 0.03 -0.12 0.00 0.13 0.00 0.00 31.00 31.50 3kni h PRO 95 CO 0.00 -0.10 0.48 -0.85 -0.23 0.00 0.00 178.00 177.30 3kni n GLU 96 N -5.43 -0.04 0.01 0.86 0.00 -1.26 0.07 120.64 114.84 3kni n GLU 96 Ca 0.04 0.94 -0.13 0.00 0.00 0.00 0.00 57.16 58.02 3kni n GLU 96 Cb 0.36 -1.76 -0.09 0.00 0.00 0.00 0.00 31.44 29.95 3kni n GLU 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3kni h ARG 97 N 0.00 0.01 -0.91 3.44 3.08 -0.44 -2.38 114.38 117.19 3kni h ARG 97 Ca 0.61 -0.00 0.23 0.00 0.07 0.00 0.00 59.98 60.89 3kni h ARG 97 Cb 1.76 -0.00 -0.13 0.00 0.08 0.00 0.00 29.97 31.68 3kni h ARG 97 CO -0.46 0.31 0.39 0.28 -1.07 0.00 0.00 179.97 179.42 3kni h VAL 98 N -0.30 0.43 0.37 2.04 2.07 -0.42 1.38 116.25 121.83 3kni h VAL 98 Ca 0.00 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.38 3kni h VAL 98 Cb 0.31 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.11 3kni h VAL 98 CO 0.00 0.07 -0.18 0.25 0.02 0.00 0.00 177.57 177.73 3kni h LEU 99 N 0.37 -0.42 -0.70 2.57 7.12 -1.59 -3.07 115.31 119.58 3kni h LEU 99 Ca 0.58 -0.03 0.09 0.00 0.13 0.00 0.00 57.88 58.65 3kni h LEU 99 Cb 1.13 0.11 -0.11 0.00 -0.53 0.00 0.00 40.66 41.25 3kni h LEU 99 CO -0.55 0.03 -0.48 -0.33 -0.13 0.00 0.00 178.44 176.97 3kni h GLU 100 N -1.11 -0.17 -0.68 1.25 5.08 -0.58 0.70 114.58 119.08 3kni h GLU 100 Ca -0.05 0.01 0.14 0.00 -1.00 0.00 0.00 59.36 58.46 3kni h GLU 100 Cb 0.42 0.04 -0.11 0.00 0.50 0.00 0.00 28.75 29.60 3kni h GLU 100 CO 0.08 -0.11 0.10 1.25 -1.00 0.00 0.00 179.01 179.33 3kni h HIS 101 N -0.17 0.13 0.36 4.33 2.76 0.17 -1.26 115.15 121.47 3kni h HIS 101 Ca 0.18 0.04 -0.00 0.00 -2.20 0.00 0.00 60.37 58.39 3kni h HIS 101 Cb 0.54 0.05 -0.03 0.00 1.55 0.00 0.00 27.41 29.51 3kni h HIS 101 CO -0.81 -0.12 -0.51 0.00 -1.30 0.00 0.00 177.93 175.20 3kni h ALA 102 N 1.58 -1.07 -0.01 5.26 0.00 -0.79 -2.69 119.26 121.54 3kni h ALA 102 Ca 0.37 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3kni h ALA 102 Cb 0.61 0.78 -0.00 0.00 0.00 0.00 0.00 17.79 19.18 3kni h ALA 102 CO -0.51 -1.15 0.03 0.28 0.00 0.00 0.00 179.25 177.89 3kni h VAL 103 N -0.91 0.12 -0.02 0.00 2.07 -0.39 -2.05 116.25 115.06 3kni h VAL 103 Ca -0.04 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 3kni h VAL 103 Cb 0.83 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 3kni h VAL 103 CO -0.14 0.00 -0.04 0.50 0.02 0.00 0.00 177.57 177.90 3kni h LYS 104 N 0.00 0.07 -0.42 1.57 3.64 -0.95 -2.89 116.57 117.58 3kni h LYS 104 Ca 0.00 -0.04 0.12 0.00 -1.27 0.00 0.00 60.65 59.46 3kni h LYS 104 Cb 0.06 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 3kni h LYS 104 CO -0.00 0.62 0.43 0.78 -2.27 0.00 0.00 179.45 179.02 3kni h GLY 105 N -0.48 0.00 1.22 5.01 0.00 -1.20 -0.16 103.07 107.46 3kni h GLY 105 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3kni h GLY 105 CO 0.01 0.00 -0.69 -0.33 0.00 0.00 0.00 176.54 175.53 3kni h MET 106 N 0.00 0.00 -6.50 4.80 2.86 -1.45 -3.47 114.93 111.18 3kni h MET 106 Ca 0.20 0.00 -0.53 0.00 -2.06 0.00 0.00 59.70 57.31 3kni h MET 106 Cb 1.06 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.69 3kni h MET 106 CO -0.00 0.00 -0.06 -0.51 1.06 0.00 0.00 176.91 177.39 3kni s LEU 107 N -4.98 4.16 0.95 1.22 1.43 -0.07 -5.02 118.68 116.36 3kni s LEU 107 Ca 0.04 1.01 -0.13 0.00 -1.03 0.00 0.00 54.13 54.02 3kni s LEU 107 Cb 0.11 -3.75 0.06 0.00 0.03 0.00 0.00 46.19 42.64 3kni s LEU 107 CO 0.74 -0.09 0.50 -2.65 0.23 0.00 0.00 176.35 175.08 3kni n PRO 108 N -0.12 -0.38 0.09 1.29 -0.02 -1.26 -4.96 135.00 129.63 3kni n PRO 108 Ca 0.01 -0.07 -0.22 0.00 -2.02 0.00 0.00 63.50 61.20 3kni n PRO 108 Cb 0.52 -1.93 -0.14 0.00 -0.02 0.00 0.00 33.50 31.94 3kni n PRO 108 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3kni h LYS 109 N -1.64 0.50 0.00 -0.52 1.57 -1.95 -3.37 116.57 111.16 3kni h LYS 109 Ca -0.44 -0.76 0.00 0.00 -1.87 0.00 0.00 60.65 57.58 3kni h LYS 109 Cb 1.28 0.27 0.00 0.00 0.08 0.00 0.00 32.23 33.86 3kni h LYS 109 CO 0.35 1.35 0.00 0.41 -0.57 0.00 0.00 179.45 180.99 3kni n GLY 110 N 1.55 -3.01 0.23 3.86 0.00 -1.26 -4.46 105.19 102.11 3kni n GLY 110 Ca -0.15 -1.02 -0.12 0.00 0.00 0.00 0.00 46.02 44.73 3kni n GLY 110 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3kni h PRO 111 N 0.00 -0.48 -0.86 1.61 0.11 -1.99 -1.76 132.00 128.64 3kni h PRO 111 Ca 0.00 0.03 0.13 0.00 0.11 0.00 0.00 66.00 66.27 3kni h PRO 111 Cb 0.00 0.11 -0.09 0.00 0.11 0.00 0.00 31.00 31.13 3kni h PRO 111 CO 0.00 -0.17 0.47 1.25 -0.21 0.00 0.00 178.00 179.34 3kni h LEU 112 N -0.92 0.61 0.70 2.35 5.85 -1.96 -0.86 115.31 121.08 3kni h LEU 112 Ca -0.05 0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 3kni h LEU 112 Cb 0.54 -0.03 0.01 0.00 0.37 0.00 0.00 40.66 41.54 3kni h LEU 112 CO 0.08 0.30 -0.34 1.23 -0.34 0.00 0.00 178.44 179.38 3kni h GLY 113 N 0.71 -0.98 -0.34 3.75 0.00 -1.80 -1.17 103.07 103.24 3kni h GLY 113 Ca 0.45 0.36 0.29 0.00 0.00 0.00 0.00 47.33 48.43 3kni h GLY 113 CO -0.32 -0.36 0.62 3.21 0.00 0.00 0.00 176.54 179.69 3kni h ARG 114 N -0.98 0.42 -0.09 4.80 3.08 -0.90 0.35 114.38 121.06 3kni h ARG 114 Ca -0.10 -0.03 -0.15 0.00 0.07 0.00 0.00 59.98 59.78 3kni h ARG 114 Cb 0.72 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.67 3kni h ARG 114 CO 0.16 0.28 -0.60 -0.09 -1.07 0.00 0.00 179.97 178.64 3kni h ARG 115 N 0.43 0.31 -0.19 0.04 2.43 -1.10 -3.11 114.38 113.20 3kni h ARG 115 Ca 0.68 -0.21 0.05 0.00 -0.81 0.00 0.00 59.98 59.69 3kni h ARG 115 Cb 1.52 0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 31.05 3kni h ARG 115 CO -0.49 0.82 -0.14 -0.07 -1.51 0.00 0.00 179.97 178.59 3kni h LEU 116 N 0.23 -0.44 -2.01 3.80 3.38 1.00 0.25 115.31 121.51 3kni h LEU 116 Ca -0.01 0.09 0.16 0.00 0.09 0.00 0.00 57.88 58.22 3kni h LEU 116 Cb 1.12 0.23 -0.02 0.00 0.09 0.00 0.00 40.66 42.07 3kni h LEU 116 CO 0.10 -0.18 0.42 0.15 0.09 0.00 0.00 178.44 179.02 3kni h PHE 117 N -0.14 0.00 -0.73 1.13 3.57 -1.41 -1.01 116.94 118.34 3kni h PHE 117 Ca 0.11 0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.74 3kni h PHE 117 Cb 0.31 0.00 -0.09 0.00 2.79 0.00 0.00 35.95 38.96 3kni h PHE 117 CO -0.28 0.00 0.30 0.87 -2.23 0.00 0.00 178.31 176.97 3kni h LYS 118 N 0.00 0.45 -6.03 1.11 1.57 -0.93 -3.31 116.57 109.44 3kni h LYS 118 Ca 0.27 -0.03 -0.57 0.00 -1.87 0.00 0.00 60.65 58.45 3kni h LYS 118 Cb 1.11 -0.10 -0.06 0.00 0.08 0.00 0.00 32.23 33.26 3kni h LYS 118 CO -0.00 0.30 0.34 1.03 -0.57 0.00 0.00 179.45 180.55 3kni s ARG 119 N -6.03 4.36 0.00 3.15 0.52 -0.39 -4.71 118.95 115.85 3kni s ARG 119 Ca -0.12 1.06 0.00 0.00 -0.52 0.00 0.00 55.73 56.14 3kni s ARG 119 Cb 0.20 -3.54 0.00 0.00 0.52 0.00 0.00 34.95 32.13 3kni s ARG 119 CO 0.76 -0.22 0.00 -0.11 0.02 0.00 0.00 175.30 175.75 3kni n LEU 120 N 4.81 0.00 -4.31 2.53 -0.00 -1.25 -4.65 117.00 114.13 3kni n LEU 120 Ca 0.04 0.00 -0.33 0.00 -0.00 0.00 0.00 56.01 55.72 3kni n LEU 120 Cb 0.49 0.00 -0.15 0.00 -0.00 0.00 0.00 43.42 43.76 3kni n LEU 120 CO 0.49 0.00 -0.48 -0.54 -0.00 0.00 0.00 177.39 176.85 3kni s LYS 121 N -0.31 3.26 -0.12 1.96 3.01 -0.65 -4.99 119.74 121.91 3kni s LYS 121 Ca 0.00 -0.75 0.01 0.00 -1.01 0.00 0.00 55.97 54.22 3kni s LYS 121 Cb 0.00 -2.55 -0.01 0.00 -1.01 0.00 0.00 37.83 34.26 3kni s LYS 121 CO 0.00 0.16 -0.16 0.08 0.51 0.00 0.00 175.35 175.94 3kni s VAL 122 N 0.46 2.75 0.18 3.17 1.01 -1.26 -3.13 120.40 123.58 3kni s VAL 122 Ca -0.12 -0.77 0.09 0.00 0.00 0.00 0.00 61.98 61.18 3kni s VAL 122 Cb -0.16 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.05 3kni s VAL 122 CO 0.05 0.53 -0.18 -0.31 0.00 0.00 0.00 175.10 175.20 3kni s TYR 123 N 0.37 1.86 -0.32 5.22 1.51 -1.19 -4.83 117.35 119.96 3kni s TYR 123 Ca -0.13 -0.47 -0.04 0.00 -1.01 0.00 0.00 57.07 55.41 3kni s TYR 123 Cb -0.16 -0.90 0.04 0.00 -0.11 0.00 0.00 41.96 40.83 3kni s TYR 123 CO 0.06 0.38 0.06 0.00 -1.11 0.00 0.00 175.55 174.94 3kni s ALA 124 N -2.27 2.94 0.00 3.71 0.00 -1.26 0.05 121.76 124.94 3kni s ALA 124 Ca 0.19 -1.76 0.00 0.00 0.00 0.00 0.00 51.96 50.38 3kni s ALA 124 Cb -0.05 -2.12 0.00 0.00 0.00 0.00 0.00 23.12 20.95 3kni s ALA 124 CO 0.07 -1.31 0.00 0.41 0.00 0.00 0.00 175.76 174.93 3kni n GLY 125 N 4.72 0.26 0.00 0.00 0.00 -1.26 -4.79 105.19 104.12 3kni n GLY 125 Ca -0.13 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3kni n GLY 125 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3kni n PRO 126 N 0.00 0.00 -2.48 1.61 -0.04 -1.26 -4.80 135.00 128.02 3kni n PRO 126 Ca 0.00 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.44 3kni n PRO 126 Cb 0.00 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.44 3kni n PRO 126 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3kni n ASP 127 N 0.00 -3.86 -4.93 3.54 9.92 -1.26 -4.77 116.55 115.19 3kni n ASP 127 Ca 0.00 1.19 -0.29 0.00 -0.53 0.00 0.00 54.79 55.15 3kni n ASP 127 Cb 0.00 -4.68 -0.04 0.00 -0.64 0.00 0.00 41.12 35.77 3kni n ASP 127 CO 0.00 0.00 0.00 -1.38 0.13 0.00 0.00 177.20 175.95 3kni s HIS 128 N -0.99 3.51 -0.25 1.24 -3.43 -1.26 -5.02 115.29 109.09 3kni s HIS 128 Ca -0.12 0.24 0.26 0.00 -0.80 0.00 0.00 55.06 54.64 3kni s HIS 128 Cb 0.01 -1.76 0.68 0.00 -1.43 0.00 0.00 32.58 30.08 3kni s HIS 128 CO 0.68 0.55 1.73 -1.00 -2.00 0.00 0.00 174.74 174.70 3kni h PRO 129 N 2.74 0.00 -2.33 -0.38 0.13 -2.01 -3.37 132.00 126.77 3kni h PRO 129 Ca -0.46 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.53 3kni h PRO 129 Cb 1.17 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.25 3kni h PRO 129 CO 0.73 0.01 -0.03 0.72 -0.23 0.00 0.00 178.00 179.20 3kni n HIS 130 N -3.10 0.05 -1.40 1.56 8.25 -1.26 -4.79 115.22 114.52 3kni n HIS 130 Ca 0.03 -1.09 -0.40 0.00 -0.26 0.00 0.00 57.72 56.00 3kni n HIS 130 Cb 0.46 -1.26 -0.05 0.00 1.12 0.00 0.00 29.99 30.26 3kni n HIS 130 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 3kni n GLN 131 N 2.69 1.64 -3.10 -0.41 -0.06 -1.26 -4.51 117.38 112.37 3kni n GLN 131 Ca 0.31 -2.05 -0.16 0.00 -2.00 0.00 0.00 57.00 53.10 3kni n GLN 131 Cb 0.63 -3.11 -0.05 0.00 -4.06 0.00 0.00 30.24 23.65 3kni n GLN 131 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3kni s ALA 132 N 6.06 -0.23 0.28 1.69 0.00 -1.26 -5.09 121.76 123.21 3kni s ALA 132 Ca 0.59 -1.51 0.00 0.00 0.00 0.00 0.00 51.96 51.04 3kni s ALA 132 Cb 0.11 -2.11 0.00 0.00 0.00 0.00 0.00 23.12 21.12 3kni s ALA 132 CO 0.11 -2.10 0.00 0.94 0.00 0.00 0.00 175.76 174.71 3kni n GLN 133 N 2.90 -2.04 0.00 0.00 7.27 -1.26 -5.02 117.38 119.23 3kni n GLN 133 Ca 0.24 1.57 0.00 0.00 0.07 0.00 0.00 57.00 58.88 3kni n GLN 133 Cb 0.52 -1.90 0.00 0.00 2.41 0.00 0.00 30.24 31.26 3kni n GLN 133 CO 0.00 0.00 0.00 2.89 0.07 0.00 0.00 177.06 180.02 3kni n ARG 134 N -1.75 0.00 -1.40 3.69 -4.01 -1.26 -4.92 116.66 107.01 3kni n ARG 134 Ca 0.00 0.00 -0.50 0.00 -1.04 0.00 0.00 57.85 56.31 3kni n ARG 134 Cb 0.17 0.00 -0.11 0.00 -3.04 0.00 0.00 32.46 29.48 3kni n ARG 134 CO 0.00 0.00 0.00 -2.30 -3.04 0.00 0.00 177.63 172.29 3kni n PRO 135 N 0.00 0.36 -2.12 2.89 -0.02 0.01 -3.89 135.00 132.24 3kni n PRO 135 Ca 0.00 0.07 -0.43 0.00 -2.02 0.00 0.00 63.50 61.12 3kni n PRO 135 Cb 0.00 -1.92 -0.02 0.00 -0.02 0.00 0.00 33.50 31.54 3kni n PRO 135 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3kni s GLU 136 N 7.20 3.51 0.15 -0.52 -6.30 -1.26 -2.38 118.70 119.10 3kni s GLU 136 Ca 1.20 1.36 0.06 0.00 -2.50 0.00 0.00 54.97 55.09 3kni s GLU 136 Cb -1.14 -4.11 -0.04 0.00 0.00 0.00 0.00 34.13 28.83 3kni s GLU 136 CO 0.53 -1.65 0.02 0.15 0.02 0.00 0.00 175.26 174.33 3kni s LYS 137 N 5.24 2.53 -0.47 4.30 1.02 -0.60 -4.91 119.74 126.85 3kni s LYS 137 Ca 0.73 -0.99 -0.13 0.00 0.02 0.00 0.00 55.97 55.60 3kni s LYS 137 Cb -0.21 -2.46 0.09 0.00 -0.52 0.00 0.00 37.83 34.74 3kni s LYS 137 CO 0.32 0.48 0.37 -0.51 -0.92 0.00 0.00 175.35 175.10 3kni s LEU 138 N -2.79 5.61 0.00 3.17 1.43 -1.26 -4.65 118.68 120.19 3kni s LEU 138 Ca 0.27 -1.51 0.00 0.00 -1.03 0.00 0.00 54.13 51.86 3kni s LEU 138 Cb -0.10 -2.12 0.00 0.00 0.03 0.00 0.00 46.19 44.00 3kni s LEU 138 CO 0.19 -0.66 0.00 1.21 0.23 0.00 0.00 176.35 177.32