#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knm n LEU 2 N 0.00 -1.41 0.00 -0.89 7.94 -1.26 -4.77 117.00 116.62 3knm n LEU 2 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 3knm n LEU 2 Cb 0.00 -0.70 0.00 0.00 0.53 0.00 0.00 43.42 43.25 3knm n LEU 2 CO 0.00 0.00 0.00 1.15 -1.11 0.00 0.00 177.39 177.43 3knm n MET 3 N 0.66 0.00 -1.68 1.96 0.00 -1.26 -4.86 117.12 111.94 3knm n MET 3 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 57.70 57.25 3knm n MET 3 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 33.22 33.19 3knm n MET 3 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62 3knm n PRO 4 N -0.38 2.13 0.15 3.17 -0.04 -1.26 -4.86 135.00 133.90 3knm n PRO 4 Ca 0.00 0.76 0.13 0.00 -0.04 0.00 0.00 63.50 64.35 3knm n PRO 4 Cb 0.00 -2.46 0.45 0.00 -0.04 0.00 0.00 33.50 31.45 3knm n PRO 4 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3knm h ARG 5 N 4.71 0.00 -3.60 0.54 3.08 -2.00 -3.45 114.38 113.65 3knm h ARG 5 Ca -0.45 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.54 3knm h ARG 5 Cb 1.26 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 31.21 3knm h ARG 5 CO 0.79 0.00 -0.13 1.03 -1.07 0.00 0.00 179.97 180.60 3knm s ARG 6 N -3.27 1.38 -0.29 0.04 0.52 -1.26 -5.18 118.95 110.90 3knm s ARG 6 Ca 0.07 -1.10 -0.18 0.00 -0.52 0.00 0.00 55.73 53.99 3knm s ARG 6 Cb 0.10 0.46 0.16 0.00 0.52 0.00 0.00 34.95 36.19 3knm s ARG 6 CO 0.52 -0.56 1.09 -1.64 0.02 0.00 0.00 175.30 174.72 3knm s MET 7 N -3.96 0.29 0.19 3.54 -1.94 -1.26 -5.04 119.30 111.12 3knm s MET 7 Ca 0.17 0.47 -0.10 0.00 -1.71 0.00 0.00 55.69 54.51 3knm s MET 7 Cb 0.00 0.07 0.10 0.00 2.01 0.00 0.00 34.83 37.02 3knm s MET 7 CO 0.03 -0.06 1.73 0.87 -0.01 0.00 0.00 175.02 177.58 3knm h LYS 8 N 5.41 1.01 -6.60 2.03 1.57 -2.03 -3.43 116.57 114.54 3knm h LYS 8 Ca -0.28 -0.20 -0.67 0.00 -1.87 0.00 0.00 60.65 57.63 3knm h LYS 8 Cb 1.18 -0.15 -0.26 0.00 0.08 0.00 0.00 32.23 33.07 3knm h LYS 8 CO 0.19 0.87 -0.87 0.71 -0.57 0.00 0.00 179.45 179.78 3knm s TYR 9 N -5.48 2.21 -0.00 -1.35 1.51 -1.26 -5.09 117.35 107.89 3knm s TYR 9 Ca -0.13 -0.40 -0.01 0.00 -1.01 0.00 0.00 57.07 55.52 3knm s TYR 9 Cb 0.14 -1.32 -0.01 0.00 -0.11 0.00 0.00 41.96 40.66 3knm s TYR 9 CO 0.82 0.12 0.30 0.00 -1.11 0.00 0.00 175.55 175.67 3knm h ARG 10 N 4.81 -0.03 -5.98 -0.62 3.08 -2.02 -3.47 114.38 110.15 3knm h ARG 10 Ca -0.46 0.00 -0.65 0.00 0.07 0.00 0.00 59.98 58.95 3knm h ARG 10 Cb 1.15 0.01 -0.09 0.00 0.08 0.00 0.00 29.97 31.12 3knm h ARG 10 CO 0.44 -0.02 -0.56 0.15 -1.07 0.00 0.00 179.97 178.90 3knm s LYS 11 N -1.68 3.12 -0.00 0.04 1.02 -1.26 -4.69 119.74 116.29 3knm s LYS 11 Ca -0.00 -0.48 -0.04 0.00 0.02 0.00 0.00 55.97 55.47 3knm s LYS 11 Cb 0.00 -2.89 -0.00 0.00 -0.52 0.00 0.00 37.83 34.42 3knm s LYS 11 CO 0.01 0.64 0.08 1.14 -0.92 0.00 0.00 175.35 176.31 3knm s GLN 12 N -1.85 0.34 -0.10 1.68 -2.07 -1.26 -5.05 119.66 111.34 3knm s GLN 12 Ca 0.25 -0.33 -0.41 0.00 -1.82 0.00 0.00 55.36 53.05 3knm s GLN 12 Cb -0.12 0.14 -0.19 0.00 -1.09 0.00 0.00 33.01 31.75 3knm s GLN 12 CO 0.16 -0.07 1.28 1.04 -1.32 0.00 0.00 175.29 176.38 3knm n GLN 13 N 1.89 0.33 -0.36 9.60 6.02 -1.26 -4.81 117.38 128.79 3knm n GLN 13 Ca -0.21 0.12 0.32 0.00 -0.01 0.00 0.00 57.00 57.23 3knm n GLN 13 Cb 0.56 -1.67 0.56 0.00 1.02 0.00 0.00 30.24 30.72 3knm n GLN 13 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 3knm n ARG 14 N 2.51 -0.04 0.00 -1.09 0.63 -1.26 -4.85 116.66 112.57 3knm n ARG 14 Ca 0.22 1.14 0.00 0.00 -0.92 0.00 0.00 57.85 58.29 3knm n ARG 14 Cb 0.08 -2.16 0.00 0.00 0.45 0.00 0.00 32.46 30.83 3knm n ARG 14 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3knm n GLY 15 N -1.36 1.48 3.49 5.14 0.00 -1.26 -4.92 105.19 107.76 3knm n GLY 15 Ca 0.34 -0.66 -0.16 0.00 0.00 0.00 0.00 46.02 45.54 3knm n GLY 15 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3knm s ARG 16 N 0.00 1.09 -0.57 1.61 3.52 -1.26 -5.12 118.95 118.22 3knm s ARG 16 Ca 0.00 0.02 0.04 0.00 -0.13 0.00 0.00 55.73 55.66 3knm s ARG 16 Cb 0.00 0.51 0.14 0.00 -1.56 0.00 0.00 34.95 34.04 3knm s ARG 16 CO 0.00 -0.39 0.32 -0.51 -0.81 0.00 0.00 175.30 173.91 3knm s LEU 17 N -1.68 4.39 -1.00 -0.88 1.43 -1.26 -5.02 118.68 114.66 3knm s LEU 17 Ca -0.06 -3.24 -0.07 0.00 -1.03 0.00 0.00 54.13 49.73 3knm s LEU 17 Cb -0.00 -1.62 0.25 0.00 0.03 0.00 0.00 46.19 44.85 3knm s LEU 17 CO 0.02 -0.19 0.95 -0.54 0.23 0.00 0.00 176.35 176.82 3knm s LYS 18 N -0.59 3.80 0.00 1.70 1.02 -1.26 -4.93 119.74 119.48 3knm s LYS 18 Ca 0.19 -3.12 0.00 0.00 0.02 0.00 0.00 55.97 53.06 3knm s LYS 18 Cb -0.20 -4.33 0.00 0.00 -0.52 0.00 0.00 37.83 32.78 3knm s LYS 18 CO -0.05 -1.25 0.00 0.41 -0.92 0.00 0.00 175.35 173.54 3knm n GLY 19 N 2.77 0.00 1.77 -3.33 0.00 -1.26 -4.96 105.19 100.18 3knm n GLY 19 Ca 0.21 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.22 3knm n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3knm n ALA 20 N 0.00 -3.08 -1.95 4.61 0.00 -1.24 -4.89 120.51 113.97 3knm n ALA 20 Ca 0.00 0.69 -0.42 0.00 0.00 0.00 0.00 53.44 53.71 3knm n ALA 20 Cb 0.00 -1.40 -0.03 0.00 0.00 0.00 0.00 19.45 18.02 3knm n ALA 20 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3knm s THR 21 N -0.24 2.67 0.39 0.00 2.01 -0.93 -4.83 115.64 114.71 3knm s THR 21 Ca -0.08 0.48 0.17 0.00 0.31 0.00 0.00 61.69 62.57 3knm s THR 21 Cb 0.01 -3.31 0.38 0.00 0.01 0.00 0.00 72.50 69.58 3knm s THR 21 CO 0.20 0.04 1.79 0.50 -0.69 0.00 0.00 174.62 176.46 3knm h LYS 22 N 6.78 0.43 0.00 4.92 3.64 -1.94 -3.44 116.57 126.97 3knm h LYS 22 Ca -0.43 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 58.94 3knm h LYS 22 Cb 1.20 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 3knm h LYS 22 CO 0.91 0.29 0.28 0.41 -2.27 0.00 0.00 179.45 179.06 3knm n GLY 23 N -1.46 1.09 1.73 5.01 0.00 -1.26 -4.98 105.19 105.31 3knm n GLY 23 Ca 0.24 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 45.08 3knm n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3knm n GLY 24 N -0.46 0.51 0.23 -0.02 0.00 -1.26 -4.80 105.19 99.39 3knm n GLY 24 Ca -0.06 -0.89 0.13 0.00 0.00 0.00 0.00 46.02 45.20 3knm n GLY 24 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3knm h ASP 25 N 0.00 0.00 -1.87 1.61 2.03 -1.89 -1.49 116.42 114.81 3knm h ASP 25 Ca 0.00 0.00 -0.54 0.00 -0.73 0.00 0.00 57.03 55.76 3knm h ASP 25 Cb 0.30 0.00 -0.07 0.00 -0.83 0.00 0.00 39.33 38.73 3knm h ASP 25 CO 0.00 0.01 -0.53 -0.72 -1.03 0.00 0.00 179.24 176.97 3knm s TYR 26 N -3.28 2.73 0.00 4.15 -0.85 -1.26 -4.83 117.35 114.00 3knm s TYR 26 Ca 0.06 -0.38 0.00 0.00 -0.52 0.00 0.00 57.07 56.23 3knm s TYR 26 Cb 0.06 -1.67 0.00 0.00 0.38 0.00 0.00 41.96 40.73 3knm s TYR 26 CO 0.65 0.32 0.24 0.28 -1.52 0.00 0.00 175.55 175.51 3knm n VAL 27 N -1.18 0.00 -1.36 -3.49 0.31 -1.26 -4.87 118.33 106.48 3knm n VAL 27 Ca -0.03 0.73 0.00 0.00 -0.01 0.00 0.00 64.34 65.03 3knm n VAL 27 Cb 0.61 -1.72 0.00 0.00 -0.91 0.00 0.00 33.84 31.82 3knm n VAL 27 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3knm n ALA 28 N -1.81 -2.02 0.00 3.52 0.00 -1.26 -4.84 120.51 114.10 3knm n ALA 28 Ca 0.00 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.81 3knm n ALA 28 Cb 0.00 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.21 3knm n ALA 28 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3knm n PHE 29 N -0.45 0.00 -0.65 0.00 3.01 -1.26 -4.93 117.46 113.17 3knm n PHE 29 Ca 0.00 0.00 -0.20 0.00 1.01 0.00 0.00 57.45 58.26 3knm n PHE 29 Cb 0.00 0.00 0.11 0.00 -0.01 0.00 0.00 39.48 39.58 3knm n PHE 29 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3knm n GLY 30 N 0.00 -2.31 0.01 1.37 0.00 -1.26 -4.95 105.19 98.04 3knm n GLY 30 Ca 0.00 -0.57 0.11 0.00 0.00 0.00 0.00 46.02 45.56 3knm n GLY 30 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3knm n ASP 31 N 0.07 0.13 -3.88 1.61 8.00 -0.78 -4.88 116.55 116.83 3knm n ASP 31 Ca 0.03 -0.10 -0.11 0.00 0.71 0.00 0.00 54.79 55.31 3knm n ASP 31 Cb 0.39 1.85 -0.12 0.00 -0.02 0.00 0.00 41.12 43.22 3knm n ASP 31 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3knm s TYR 32 N -3.46 0.01 0.21 1.24 4.12 -0.74 -4.21 117.35 114.53 3knm s TYR 32 Ca -0.06 -0.01 -0.04 0.00 0.02 0.00 0.00 57.07 56.98 3knm s TYR 32 Cb 0.14 -0.03 -0.03 0.00 -1.52 0.00 0.00 41.96 40.52 3knm s TYR 32 CO 0.90 -0.13 0.22 0.20 0.02 0.00 0.00 175.55 176.76 3knm s GLY 33 N -0.60 1.21 -0.54 0.71 0.00 -0.99 0.08 107.32 107.19 3knm s GLY 33 Ca -0.07 -1.49 -0.01 0.00 0.00 0.00 0.00 44.72 43.15 3knm s GLY 33 CO 0.00 -1.21 0.33 -2.27 0.00 0.00 0.00 173.10 169.95 3knm s LEU 34 N -3.12 5.07 0.13 0.66 2.96 0.45 -1.63 118.68 123.20 3knm s LEU 34 Ca 0.35 -2.63 -0.30 0.00 -0.22 0.00 0.00 54.13 51.33 3knm s LEU 34 Cb 0.05 -1.80 -0.06 0.00 0.50 0.00 0.00 46.19 44.88 3knm s LEU 34 CO 0.11 -0.39 1.02 0.54 -1.32 0.00 0.00 176.35 176.31 3knm s VAL 35 N 0.26 4.24 0.19 1.68 0.11 -0.34 -2.25 120.40 124.30 3knm s VAL 35 Ca 0.14 1.88 -0.21 0.00 -2.93 0.00 0.00 61.98 60.86 3knm s VAL 35 Cb -0.22 -4.20 -0.08 0.00 -1.53 0.00 0.00 36.38 30.36 3knm s VAL 35 CO -0.03 0.30 0.72 0.00 -3.33 0.00 0.00 175.10 172.75 3knm s ALA 36 N -0.05 3.44 -1.75 1.54 0.00 0.30 -1.10 121.76 124.13 3knm s ALA 36 Ca 0.48 0.19 0.15 0.00 0.00 0.00 0.00 51.96 52.79 3knm s ALA 36 Cb -0.26 -2.83 0.21 0.00 0.00 0.00 0.00 23.12 20.24 3knm s ALA 36 CO 0.32 0.33 1.10 1.28 0.00 0.00 0.00 175.76 178.79 3knm n LEU 37 N 1.01 2.59 -3.60 0.00 4.77 -0.50 0.53 117.00 121.81 3knm n LEU 37 Ca -0.04 -1.30 -0.15 0.00 -0.03 0.00 0.00 56.01 54.49 3knm n LEU 37 Cb 0.50 -0.10 -0.07 0.00 -2.33 0.00 0.00 43.42 41.43 3knm n LEU 37 CO 0.44 0.54 0.43 -1.83 -1.33 0.00 0.00 177.39 175.63 3knm s GLU 38 N -1.21 0.90 0.38 3.23 -1.05 -1.26 -4.82 118.70 114.87 3knm s GLU 38 Ca 0.22 0.78 -0.26 0.00 -0.15 0.00 0.00 54.97 55.57 3knm s GLU 38 Cb 0.14 0.43 -0.11 0.00 -0.44 0.00 0.00 34.13 34.15 3knm s GLU 38 CO 0.20 -0.16 1.15 -2.30 0.95 0.00 0.00 175.26 175.10 3knm n PRO 39 N 2.17 1.70 -3.64 -4.83 -0.02 -1.26 -4.51 135.00 124.61 3knm n PRO 39 Ca -0.15 0.60 -0.03 0.00 -2.02 0.00 0.00 63.50 61.90 3knm n PRO 39 Cb 0.56 -2.18 -0.05 0.00 -0.02 0.00 0.00 33.50 31.81 3knm n PRO 39 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3knm s ALA 40 N -1.18 -2.13 -0.26 3.55 0.00 -0.75 -5.02 121.76 115.98 3knm s ALA 40 Ca 0.60 1.83 -0.21 0.00 0.00 0.00 0.00 51.96 54.17 3knm s ALA 40 Cb -0.57 -1.53 -0.01 0.00 0.00 0.00 0.00 23.12 21.01 3knm s ALA 40 CO 0.59 -0.21 0.69 -1.58 0.00 0.00 0.00 175.76 175.24 3knm s TRP 41 N -0.78 3.28 -0.20 0.00 0.51 -1.26 -1.27 118.94 119.21 3knm s TRP 41 Ca 0.08 0.87 -0.13 0.00 -2.12 0.00 0.00 56.10 54.80 3knm s TRP 41 Cb -0.02 -2.92 -0.04 0.00 -0.81 0.00 0.00 33.47 29.67 3knm s TRP 41 CO -0.09 -0.37 0.29 0.42 -0.51 0.00 0.00 176.95 176.69 3knm s ILE 42 N 2.62 5.28 1.04 2.03 1.09 -0.12 -4.84 121.20 128.30 3knm s ILE 42 Ca 0.28 0.49 -0.14 0.00 -1.10 0.00 0.00 60.65 60.18 3knm s ILE 42 Cb -0.15 -3.63 0.21 0.00 -1.06 0.00 0.00 42.46 37.83 3knm s ILE 42 CO 0.09 0.32 1.12 0.42 -0.10 0.00 0.00 174.94 176.79 3knm s THR 43 N 1.00 1.90 0.18 2.92 -4.23 -1.26 0.41 115.64 116.55 3knm s THR 43 Ca 0.14 0.00 0.03 0.00 -1.18 0.00 0.00 61.69 60.69 3knm s THR 43 Cb -0.14 -2.58 -0.12 0.00 1.34 0.00 0.00 72.50 71.00 3knm s THR 43 CO 0.05 0.00 1.42 0.00 -0.54 0.00 0.00 174.62 175.56 3knm h ALA 44 N -1.99 0.60 -0.13 3.99 0.00 -1.74 -2.87 119.26 117.12 3knm h ALA 44 Ca -0.51 -0.68 -0.23 0.00 0.00 0.00 0.00 54.91 53.49 3knm h ALA 44 Cb 1.32 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 19.04 3knm h ALA 44 CO 0.52 0.88 -0.81 -0.56 0.00 0.00 0.00 179.25 179.27 3knm h GLN 45 N 0.12 0.75 -0.74 0.00 -0.00 -1.87 -1.85 115.11 111.51 3knm h GLN 45 Ca -0.03 -0.64 0.04 0.00 -0.00 0.00 0.00 58.65 58.02 3knm h GLN 45 Cb 1.41 0.14 -0.05 0.00 -0.00 0.00 0.00 27.48 28.98 3knm h GLN 45 CO 0.12 1.24 0.46 1.96 -0.00 0.00 0.00 178.83 182.62 3knm h GLN 46 N 0.50 0.86 0.87 0.06 4.20 -1.88 0.85 115.11 120.57 3knm h GLN 46 Ca -0.06 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.56 3knm h GLN 46 Cb 1.44 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 29.03 3knm h GLN 46 CO 0.16 0.57 -0.46 0.82 -0.67 0.00 0.00 178.83 179.25 3knm h ILE 47 N 0.88 0.00 0.00 2.54 2.04 -1.37 -2.19 117.51 119.41 3knm h ILE 47 Ca 0.31 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.17 3knm h ILE 47 Cb 0.06 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.14 3knm h ILE 47 CO -0.13 0.00 0.00 1.21 0.00 0.00 0.00 178.15 179.23 3knm n GLU 48 N -5.42 0.00 -0.01 2.37 4.07 -0.71 -0.65 120.64 120.29 3knm n GLU 48 Ca -0.15 0.40 0.00 0.00 -0.06 0.00 0.00 57.16 57.35 3knm n GLU 48 Cb 0.49 -1.32 0.00 0.00 -0.06 0.00 0.00 31.44 30.56 3knm n GLU 48 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3knm n ALA 49 N -1.59 -0.00 0.06 4.31 0.00 0.29 0.11 120.51 123.69 3knm n ALA 49 Ca 0.00 0.02 -0.10 0.00 0.00 0.00 0.00 53.44 53.36 3knm n ALA 49 Cb 0.00 -0.01 -0.07 0.00 0.00 0.00 0.00 19.45 19.37 3knm n ALA 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3knm h ALA 50 N 0.03 -0.23 -0.94 0.00 0.00 -1.23 -3.06 119.26 113.83 3knm h ALA 50 Ca 0.01 -0.21 0.19 0.00 0.00 0.00 0.00 54.91 54.89 3knm h ALA 50 Cb 0.01 0.09 -0.11 0.00 0.00 0.00 0.00 17.79 17.78 3knm h ALA 50 CO -0.02 -0.29 0.52 -0.09 0.00 0.00 0.00 179.25 179.38 3knm h ARG 51 N -0.91 0.62 0.00 0.00 2.43 0.31 0.29 114.38 117.12 3knm h ARG 51 Ca -0.02 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.07 3knm h ARG 51 Cb 0.50 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 3knm h ARG 51 CO 0.04 0.41 -0.18 0.28 -1.51 0.00 0.00 179.97 179.01 3knm h VAL 52 N 0.64 0.77 0.00 0.20 2.07 -0.26 -0.00 116.25 119.67 3knm h VAL 52 Ca 0.55 -0.71 -0.14 0.00 0.82 0.00 0.00 66.70 67.21 3knm h VAL 52 Cb 0.89 1.43 -0.02 0.00 -1.52 0.00 0.00 31.29 32.07 3knm h VAL 52 CO -0.41 0.18 -0.69 0.00 0.02 0.00 0.00 177.57 176.66 3knm h ALA 53 N 1.82 0.57 0.27 1.67 0.00 -0.39 -2.98 119.26 120.21 3knm h ALA 53 Ca -0.00 -0.62 -0.01 0.00 0.00 0.00 0.00 54.91 54.28 3knm h ALA 53 Cb 0.42 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 3knm h ALA 53 CO 0.02 0.85 -0.19 1.98 0.00 0.00 0.00 179.25 181.91 3knm h MET 54 N 0.00 -0.42 -0.00 0.00 -1.53 0.52 0.62 114.93 114.11 3knm h MET 54 Ca -0.01 0.03 0.01 0.00 -3.44 0.00 0.00 59.70 56.28 3knm h MET 54 Cb 1.52 0.10 -0.02 0.00 -0.55 0.00 0.00 31.60 32.65 3knm h MET 54 CO 0.09 -0.28 -0.17 -0.39 0.14 0.00 0.00 176.91 176.29 3knm h VAL 55 N -0.44 0.00 -1.15 -5.77 -1.51 -1.56 -1.72 116.25 104.10 3knm h VAL 55 Ca -0.04 0.00 0.41 0.00 -1.23 0.00 0.00 66.70 65.84 3knm h VAL 55 Cb 0.36 0.00 -0.13 0.00 -2.13 0.00 0.00 31.29 29.39 3knm h VAL 55 CO 0.02 0.00 0.72 0.54 -1.23 0.00 0.00 177.57 177.62 3knm n ARG 56 N -3.45 -0.03 0.12 5.19 1.74 -1.12 0.17 116.66 119.27 3knm n ARG 56 Ca -0.02 1.11 -0.05 0.00 -0.77 0.00 0.00 57.85 58.12 3knm n ARG 56 Cb 0.13 -2.15 -0.02 0.00 -1.02 0.00 0.00 32.46 29.39 3knm n ARG 56 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3knm h HIS 57 N 0.00 -0.30 -2.03 -1.55 2.76 0.04 -3.30 115.15 110.77 3knm h HIS 57 Ca 0.76 -0.01 -0.76 0.00 -2.20 0.00 0.00 60.37 58.16 3knm h HIS 57 Cb 2.39 0.10 -0.29 0.00 1.55 0.00 0.00 27.41 31.16 3knm h HIS 57 CO -0.01 -0.19 0.88 1.97 -1.30 0.00 0.00 177.93 179.29 3knm n PHE 58 N -3.28 2.99 -1.39 5.26 1.16 0.67 -4.97 117.46 117.91 3knm n PHE 58 Ca -0.04 -2.48 -0.49 0.00 -1.87 0.00 0.00 57.45 52.57 3knm n PHE 58 Cb 0.13 -1.09 -0.14 0.00 -1.61 0.00 0.00 39.48 36.77 3knm n PHE 58 CO 0.00 0.00 0.00 2.89 -1.87 0.00 0.00 176.76 177.78 3knm n ARG 59 N -0.42 0.00 0.00 3.97 1.85 0.44 0.33 116.66 122.82 3knm n ARG 59 Ca 0.51 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.36 3knm n ARG 59 Cb 0.27 -1.49 0.00 0.00 -1.05 0.00 0.00 32.46 30.19 3knm n ARG 59 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 3knm n ARG 60 N 8.04 0.00 0.00 2.89 1.74 -1.26 -5.05 116.66 123.02 3knm n ARG 60 Ca 0.61 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.69 3knm n ARG 60 Cb -0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 3knm n ARG 60 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3knm n GLY 61 N 0.00 0.00 0.60 -0.13 0.00 0.15 -4.59 105.19 101.22 3knm n GLY 61 Ca 0.00 0.00 0.39 0.00 0.00 0.00 0.00 46.02 46.41 3knm n GLY 61 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3knm h GLY 62 N 0.00 0.00 0.00 -0.02 0.00 -1.67 -3.41 103.07 97.96 3knm h GLY 62 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3knm h GLY 62 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.82 3knm n LYS 63 N -3.62 0.00 -3.78 4.80 5.02 -1.20 -4.83 118.16 114.56 3knm n LYS 63 Ca 0.31 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.37 3knm n LYS 63 Cb 1.66 0.00 -0.17 0.00 -0.02 0.00 0.00 35.03 36.50 3knm n LYS 63 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3knm s ILE 64 N -1.85 0.42 -0.19 -0.18 1.01 -1.26 -2.52 121.20 116.63 3knm s ILE 64 Ca 0.00 0.08 -0.06 0.00 0.00 0.00 0.00 60.65 60.68 3knm s ILE 64 Cb 0.00 -0.57 -0.03 0.00 0.01 0.00 0.00 42.46 41.87 3knm s ILE 64 CO 0.00 0.26 0.02 -0.36 0.00 0.00 0.00 174.94 174.86 3knm s PHE 65 N 1.95 3.09 -0.65 3.97 2.99 0.11 -5.00 117.98 124.44 3knm s PHE 65 Ca 0.05 -0.30 -0.04 0.00 0.00 0.00 0.00 56.93 56.65 3knm s PHE 65 Cb -0.12 -2.08 0.17 0.00 0.00 0.00 0.00 43.02 40.98 3knm s PHE 65 CO -0.05 -0.13 0.47 0.96 -0.00 0.00 0.00 175.22 176.47 3knm s ILE 66 N 0.83 3.87 0.32 0.64 -4.36 -1.26 -1.81 121.20 119.43 3knm s ILE 66 Ca 0.01 -2.96 0.21 0.00 -0.26 0.00 0.00 60.65 57.65 3knm s ILE 66 Cb -0.14 -3.51 0.19 0.00 1.25 0.00 0.00 42.46 40.25 3knm s ILE 66 CO 0.02 -0.90 1.90 0.03 0.24 0.00 0.00 174.94 176.24 3knm h ARG 67 N 7.04 0.00 -6.77 0.37 3.08 -0.65 -3.43 114.38 114.03 3knm h ARG 67 Ca -0.00 0.00 -0.49 0.00 0.07 0.00 0.00 59.98 59.56 3knm h ARG 67 Cb 0.95 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.98 3knm h ARG 67 CO 0.72 0.26 0.17 0.96 -1.07 0.00 0.00 179.97 181.00 3knm s ILE 68 N -4.03 4.55 -0.08 2.04 -4.36 -1.09 -5.03 121.20 113.19 3knm s ILE 68 Ca -0.02 1.21 -0.03 0.00 -0.26 0.00 0.00 60.65 61.55 3knm s ILE 68 Cb 0.13 -3.70 0.05 0.00 1.25 0.00 0.00 42.46 40.18 3knm s ILE 68 CO 0.65 -0.09 0.16 0.12 0.24 0.00 0.00 174.94 176.03 3knm s PHE 69 N -1.88 -0.18 0.60 1.37 5.36 -1.26 -5.06 117.98 116.93 3knm s PHE 69 Ca 0.53 0.61 -0.19 0.00 -0.96 0.00 0.00 56.93 56.91 3knm s PHE 69 Cb -0.12 -0.24 -0.04 0.00 -0.34 0.00 0.00 43.02 42.28 3knm s PHE 69 CO 0.18 -0.26 1.16 -0.35 -1.46 0.00 0.00 175.22 174.49 3knm n PRO 70 N 5.20 1.15 0.00 10.12 -0.04 -1.26 -4.65 135.00 145.52 3knm n PRO 70 Ca -0.07 0.44 0.00 0.00 -0.04 0.00 0.00 63.50 63.83 3knm n PRO 70 Cb 0.50 -2.37 0.00 0.00 -0.04 0.00 0.00 33.50 31.59 3knm n PRO 70 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3knm n ASP 71 N -1.15 0.00 -4.55 3.54 5.75 0.22 -4.37 116.55 115.98 3knm n ASP 71 Ca 0.14 -0.08 -0.42 0.00 -0.01 0.00 0.00 54.79 54.41 3knm n ASP 71 Cb 0.47 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.49 3knm n ASP 71 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 3knm s LYS 72 N 0.00 3.53 -0.06 0.11 2.20 -0.82 -4.93 119.74 119.77 3knm s LYS 72 Ca 0.00 -0.07 -0.31 0.00 -0.36 0.00 0.00 55.97 55.23 3knm s LYS 72 Cb 0.00 -3.87 -0.09 0.00 -1.51 0.00 0.00 37.83 32.36 3knm s LYS 72 CO 0.00 -0.89 2.01 -2.30 -0.36 0.00 0.00 175.35 173.82 3knm n PRO 73 N 6.26 2.44 -3.30 4.03 -0.02 -1.26 -1.86 135.00 141.29 3knm n PRO 73 Ca -0.00 0.85 -0.40 0.00 -2.02 0.00 0.00 63.50 61.93 3knm n PRO 73 Cb 0.48 -2.94 -0.08 0.00 -0.02 0.00 0.00 33.50 30.94 3knm n PRO 73 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3knm s TYR 74 N 5.29 3.23 -0.06 6.00 5.04 0.50 -4.47 117.35 132.87 3knm s TYR 74 Ca 0.93 0.38 0.03 0.00 -2.44 0.00 0.00 57.07 55.97 3knm s TYR 74 Cb -0.50 -2.73 -0.02 0.00 0.35 0.00 0.00 41.96 39.06 3knm s TYR 74 CO 0.43 -0.35 -0.15 0.99 -1.34 0.00 0.00 175.55 175.14 3knm s THR 75 N 2.23 3.01 -0.02 4.34 2.01 -1.26 0.11 115.64 126.06 3knm s THR 75 Ca 0.18 -0.73 -0.02 0.00 0.31 0.00 0.00 61.69 61.43 3knm s THR 75 Cb -0.16 -2.19 0.00 0.00 0.01 0.00 0.00 72.50 70.17 3knm s THR 75 CO 0.11 0.58 0.05 -0.75 -0.69 0.00 0.00 174.62 173.92 3knm s LYS 76 N -0.52 0.07 0.42 4.92 2.20 -1.23 -4.94 119.74 120.66 3knm s LYS 76 Ca 0.07 0.04 -0.22 0.00 -0.36 0.00 0.00 55.97 55.51 3knm s LYS 76 Cb -0.12 0.03 -0.11 0.00 -1.51 0.00 0.00 37.83 36.13 3knm s LYS 76 CO 0.01 -0.01 0.96 0.15 -0.36 0.00 0.00 175.35 176.10 3knm s LYS 77 N -0.04 4.23 0.36 4.03 1.02 -1.26 -3.67 119.74 124.41 3knm s LYS 77 Ca -0.01 1.18 -0.24 0.00 0.02 0.00 0.00 55.97 56.92 3knm s LYS 77 Cb -0.01 -2.26 -0.14 0.00 -0.52 0.00 0.00 37.83 34.90 3knm s LYS 77 CO 0.00 -0.03 0.48 -2.30 -0.92 0.00 0.00 175.35 172.58 3knm n PRO 78 N -0.51 0.40 -1.81 -1.68 -0.02 -1.26 -4.75 135.00 125.36 3knm n PRO 78 Ca 0.07 0.14 -0.42 0.00 -2.02 0.00 0.00 63.50 61.27 3knm n PRO 78 Cb 0.53 -1.31 -0.03 0.00 -0.02 0.00 0.00 33.50 32.67 3knm n PRO 78 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3knm s LEU 79 N 2.49 4.37 -0.92 2.45 0.20 -1.26 -3.29 118.68 122.72 3knm s LEU 79 Ca 0.62 2.81 -0.02 0.00 0.69 0.00 0.00 54.13 58.22 3knm s LEU 79 Cb -0.69 -3.61 0.00 0.00 -0.43 0.00 0.00 46.19 41.46 3knm s LEU 79 CO 0.59 -0.90 0.78 -0.62 -0.29 0.00 0.00 176.35 175.91 3knm n GLU 80 N 3.46 -5.23 -4.42 1.98 1.02 -1.26 -5.04 120.64 111.15 3knm n GLU 80 Ca 0.13 0.62 -0.23 0.00 -0.02 0.00 0.00 57.16 57.66 3knm n GLU 80 Cb 0.37 -4.97 -0.10 0.00 -0.02 0.00 0.00 31.44 26.71 3knm n GLU 80 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3knm s VAL 81 N -3.25 2.24 0.69 2.62 0.11 -1.21 -5.15 120.40 116.44 3knm s VAL 81 Ca 0.16 -2.27 0.03 0.00 -2.93 0.00 0.00 61.98 56.97 3knm s VAL 81 Cb -0.07 -2.18 0.13 0.00 -1.53 0.00 0.00 36.38 32.73 3knm s VAL 81 CO 0.53 -0.40 0.94 -2.11 -3.33 0.00 0.00 175.10 170.74 3knm n ARG 82 N -0.36 0.11 -1.13 1.54 1.85 -1.26 -5.01 116.66 112.40 3knm n ARG 82 Ca -0.07 -2.87 -0.33 0.00 -1.00 0.00 0.00 57.85 53.58 3knm n ARG 82 Cb 0.59 -0.53 0.12 0.00 -1.05 0.00 0.00 32.46 31.59 3knm n ARG 82 CO 0.00 0.00 0.00 -1.64 -0.01 0.00 0.00 177.63 175.98 3knm s MET 83 N -4.97 1.70 0.54 2.89 -1.94 -1.26 -4.90 119.30 111.36 3knm s MET 83 Ca 0.65 1.64 0.00 0.00 -1.71 0.00 0.00 55.69 56.27 3knm s MET 83 Cb -0.04 -1.80 0.00 0.00 2.01 0.00 0.00 34.83 35.00 3knm s MET 83 CO 0.43 -2.14 0.00 0.41 -0.01 0.00 0.00 175.02 173.71 3knm n GLY 84 N 0.20 -2.16 2.84 -0.03 0.00 -1.26 -5.02 105.19 99.76 3knm n GLY 84 Ca 0.13 -1.65 -0.16 0.00 0.00 0.00 0.00 46.02 44.33 3knm n GLY 84 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3knm n LYS 85 N -0.13 -4.75 0.00 1.61 4.76 -1.26 -4.86 118.16 113.53 3knm n LYS 85 Ca 0.00 0.61 0.00 0.00 -2.87 0.00 0.00 58.31 56.05 3knm n LYS 85 Cb 0.00 -4.92 0.00 0.00 -1.84 0.00 0.00 35.03 28.27 3knm n LYS 85 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3knm n GLY 86 N -1.46 0.94 3.81 0.72 0.00 -1.26 -4.99 105.19 102.95 3knm n GLY 86 Ca -0.03 -1.86 -0.32 0.00 0.00 0.00 0.00 46.02 43.81 3knm n GLY 86 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3knm s LYS 87 N -2.44 3.04 0.00 1.61 2.20 -1.26 -5.05 119.74 117.85 3knm s LYS 87 Ca 0.00 1.08 0.00 0.00 -0.36 0.00 0.00 55.97 56.69 3knm s LYS 87 Cb 0.00 -2.00 0.00 0.00 -1.51 0.00 0.00 37.83 34.32 3knm s LYS 87 CO 0.00 -1.02 0.00 0.41 -0.36 0.00 0.00 175.35 174.38 3knm n GLY 88 N -1.50 -2.68 3.32 5.54 0.00 -1.26 -5.05 105.19 103.57 3knm n GLY 88 Ca 0.08 -1.33 -0.32 0.00 0.00 0.00 0.00 46.02 44.45 3knm n GLY 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3knm s ASN 89 N -1.69 3.34 0.22 1.61 2.20 -1.24 -4.91 114.94 114.47 3knm s ASN 89 Ca 0.00 -0.43 -0.29 0.00 -0.94 0.00 0.00 52.86 51.20 3knm s ASN 89 Cb 0.00 -0.86 -0.16 0.00 -2.00 0.00 0.00 41.25 38.23 3knm s ASN 89 CO 0.00 0.26 0.83 0.52 -2.94 0.00 0.00 177.10 175.77 3knm n VAL 90 N 2.83 1.74 -0.62 3.54 0.31 -1.26 -3.51 118.33 121.37 3knm n VAL 90 Ca -0.17 -0.44 0.00 0.00 -0.01 0.00 0.00 64.34 63.72 3knm n VAL 90 Cb 0.52 -0.51 0.00 0.00 -0.91 0.00 0.00 33.84 32.94 3knm n VAL 90 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3knm n GLU 91 N 1.02 0.56 -3.41 5.55 -0.58 0.29 -4.91 120.64 119.16 3knm n GLU 91 Ca 0.14 -0.62 0.00 0.00 -0.42 0.00 0.00 57.16 56.27 3knm n GLU 91 Cb 0.27 -0.69 0.00 0.00 -0.57 0.00 0.00 31.44 30.45 3knm n GLU 91 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3knm n GLY 92 N -0.12 -1.69 3.03 0.62 0.00 -1.20 -4.99 105.19 100.84 3knm n GLY 92 Ca 0.00 -1.37 -0.12 0.00 0.00 0.00 0.00 46.02 44.53 3knm n GLY 92 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3knm s TYR 93 N -2.37 0.53 0.49 1.61 1.51 -1.26 -0.37 117.35 117.49 3knm s TYR 93 Ca 0.00 -0.50 0.02 0.00 -1.01 0.00 0.00 57.07 55.58 3knm s TYR 93 Cb 0.00 -0.33 -0.02 0.00 -0.11 0.00 0.00 41.96 41.50 3knm s TYR 93 CO 0.00 -0.12 0.02 0.14 -1.11 0.00 0.00 175.55 174.48 3knm s VAL 94 N -1.36 1.17 -0.13 0.71 -7.23 -0.77 -1.99 120.40 110.79 3knm s VAL 94 Ca -0.12 -2.00 -0.00 0.00 -1.81 0.00 0.00 61.98 58.05 3knm s VAL 94 Cb -0.10 -2.25 0.03 0.00 0.56 0.00 0.00 36.38 34.62 3knm s VAL 94 CO -0.00 0.00 -0.07 0.00 -0.31 0.00 0.00 175.10 174.72 3knm s ALA 95 N -2.90 1.36 -0.19 1.32 0.00 0.17 -0.61 121.76 120.90 3knm s ALA 95 Ca 0.10 -0.63 -0.29 0.00 0.00 0.00 0.00 51.96 51.14 3knm s ALA 95 Cb 0.02 -0.98 -0.04 0.00 0.00 0.00 0.00 23.12 22.13 3knm s ALA 95 CO 0.05 -0.54 1.75 0.14 0.00 0.00 0.00 175.76 177.16 3knm s VAL 96 N 1.69 3.51 -0.33 0.00 -7.23 -1.26 -0.94 120.40 115.83 3knm s VAL 96 Ca 0.04 0.57 -0.06 0.00 -1.81 0.00 0.00 61.98 60.71 3knm s VAL 96 Cb -0.13 -3.53 0.04 0.00 0.56 0.00 0.00 36.38 33.32 3knm s VAL 96 CO -0.08 -0.23 0.09 -0.69 -0.31 0.00 0.00 175.10 173.89 3knm s VAL 97 N 5.63 3.71 0.11 1.32 1.01 -0.40 -4.97 120.40 126.82 3knm s VAL 97 Ca 0.78 -1.15 0.02 0.00 0.00 0.00 0.00 61.98 61.63 3knm s VAL 97 Cb -0.28 -3.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 3knm s VAL 97 CO 0.32 -0.17 0.23 -0.54 0.00 0.00 0.00 175.10 174.93 3knm s LYS 98 N 1.39 3.34 0.17 2.72 1.02 -1.26 -1.82 119.74 125.30 3knm s LYS 98 Ca -0.02 -0.58 -0.33 0.00 0.02 0.00 0.00 55.97 55.07 3knm s LYS 98 Cb -0.20 -2.94 -0.16 0.00 -0.52 0.00 0.00 37.83 34.02 3knm s LYS 98 CO 0.02 0.55 1.19 -2.30 -0.92 0.00 0.00 175.35 173.90 3knm n PRO 99 N -0.14 1.22 0.00 -1.68 -0.02 -1.26 -2.58 135.00 130.54 3knm n PRO 99 Ca -0.07 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 3knm n PRO 99 Cb 0.53 -1.95 0.00 0.00 -0.02 0.00 0.00 33.50 32.06 3knm n PRO 99 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3knm n GLY 100 N 2.05 3.17 3.76 -1.23 0.00 0.19 -2.20 105.19 110.94 3knm n GLY 100 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 3knm n GLY 100 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3knm s ARG 101 N -0.42 3.40 -0.47 1.61 6.06 -1.07 -4.53 118.95 123.55 3knm s ARG 101 Ca 0.00 2.05 -0.14 0.00 -2.50 0.00 0.00 55.73 55.14 3knm s ARG 101 Cb 0.00 -2.33 0.08 0.00 0.06 0.00 0.00 34.95 32.76 3knm s ARG 101 CO 0.00 -0.92 0.38 0.08 -2.50 0.00 0.00 175.30 172.33 3knm s VAL 102 N -1.40 5.06 0.01 7.11 1.01 -0.56 0.11 120.40 131.74 3knm s VAL 102 Ca 0.68 -1.14 -0.11 0.00 0.00 0.00 0.00 61.98 61.40 3knm s VAL 102 Cb -0.36 -4.04 -0.06 0.00 0.00 0.00 0.00 36.38 31.92 3knm s VAL 102 CO 0.43 -0.58 0.93 0.24 0.00 0.00 0.00 175.10 176.12 3knm h MET 103 N 8.70 -0.39 -4.43 2.72 0.00 -1.78 -3.41 114.93 116.33 3knm h MET 103 Ca -0.28 0.03 -0.17 0.00 0.00 0.00 0.00 59.70 59.28 3knm h MET 103 Cb 1.11 0.09 -0.15 0.00 0.00 0.00 0.00 31.60 32.65 3knm h MET 103 CO 0.86 -0.26 -0.68 -0.59 0.00 0.00 0.00 176.91 176.24 3knm s PHE 104 N -3.46 0.72 -0.02 -0.22 -0.12 -1.25 0.04 117.98 113.67 3knm s PHE 104 Ca -0.06 -1.02 -0.07 0.00 -0.05 0.00 0.00 56.93 55.73 3knm s PHE 104 Cb 0.01 -0.46 0.01 0.00 -0.63 0.00 0.00 43.02 41.94 3knm s PHE 104 CO 0.18 -0.30 0.15 -1.83 -0.05 0.00 0.00 175.22 173.37 3knm s GLU 105 N -3.90 0.39 0.02 1.99 -1.05 -0.75 0.17 118.70 115.58 3knm s GLU 105 Ca 0.11 -0.21 0.06 0.00 -0.15 0.00 0.00 54.97 54.78 3knm s GLU 105 Cb 0.07 0.17 -0.03 0.00 -0.44 0.00 0.00 34.13 33.89 3knm s GLU 105 CO -0.06 -0.09 -0.15 0.14 0.95 0.00 0.00 175.26 176.05 3knm s VAL 106 N -0.93 3.00 0.36 1.83 -7.23 0.11 -0.71 120.40 116.84 3knm s VAL 106 Ca -0.10 -1.05 0.03 0.00 -1.81 0.00 0.00 61.98 59.06 3knm s VAL 106 Cb -0.06 -2.27 -0.04 0.00 0.56 0.00 0.00 36.38 34.58 3knm s VAL 106 CO 0.01 0.38 0.10 0.00 -0.31 0.00 0.00 175.10 175.28 3knm s ALA 107 N -0.92 2.60 -1.54 1.32 0.00 -1.05 -1.78 121.76 120.40 3knm s ALA 107 Ca 0.15 -1.57 -0.05 0.00 0.00 0.00 0.00 51.96 50.49 3knm s ALA 107 Cb -0.11 0.76 0.01 0.00 0.00 0.00 0.00 23.12 23.78 3knm s ALA 107 CO 0.05 -0.35 0.71 0.41 0.00 0.00 0.00 175.76 176.59 3knm n GLY 108 N -0.79 -0.53 3.25 0.00 0.00 -1.26 -3.22 105.19 102.64 3knm n GLY 108 Ca -0.04 0.16 -0.10 0.00 0.00 0.00 0.00 46.02 46.03 3knm n GLY 108 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3knm s VAL 109 N -3.21 0.10 0.40 1.61 1.01 -1.26 -3.62 120.40 115.44 3knm s VAL 109 Ca 0.35 -0.85 -0.27 0.00 0.00 0.00 0.00 61.98 61.22 3knm s VAL 109 Cb -0.16 -1.15 -0.10 0.00 0.00 0.00 0.00 36.38 34.97 3knm s VAL 109 CO 0.44 -0.47 1.42 1.07 0.00 0.00 0.00 175.10 177.56 3knm n THR 110 N 0.12 2.34 -0.33 3.92 5.66 -1.26 -4.76 114.28 119.96 3knm n THR 110 Ca -0.17 -0.50 0.07 0.00 -3.05 0.00 0.00 64.05 60.40 3knm n THR 110 Cb 0.62 -1.83 0.25 0.00 -1.55 0.00 0.00 70.33 67.82 3knm n THR 110 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 175.07 171.94 3knm h GLU 111 N 2.57 0.95 -0.51 1.09 4.81 -2.01 0.13 114.58 121.61 3knm h GLU 111 Ca -0.50 -0.06 0.09 0.00 -0.13 0.00 0.00 59.36 58.77 3knm h GLU 111 Cb 1.26 -0.21 -0.10 0.00 0.63 0.00 0.00 28.75 30.32 3knm h GLU 111 CO 0.62 0.63 -0.33 1.49 -0.73 0.00 0.00 179.01 180.69 3knm h GLU 112 N 0.98 -0.19 0.34 1.92 4.57 -2.01 -0.25 114.58 119.94 3knm h GLU 112 Ca 0.46 0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.63 3knm h GLU 112 Cb 0.41 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.05 3knm h GLU 112 CO -0.22 -0.13 -0.17 1.96 -1.18 0.00 0.00 179.01 179.28 3knm h GLN 113 N -0.20 -0.44 -0.84 1.92 4.20 -1.43 -3.27 115.11 115.05 3knm h GLN 113 Ca 0.21 0.03 0.18 0.00 0.06 0.00 0.00 58.65 59.13 3knm h GLN 113 Cb 0.54 0.10 -0.16 0.00 0.30 0.00 0.00 27.48 28.27 3knm h GLN 113 CO -0.62 -0.15 -0.14 0.00 -0.67 0.00 0.00 178.83 177.25 3knm h ALA 114 N -0.73 0.67 -0.27 3.87 0.00 -0.90 1.53 119.26 123.42 3knm h ALA 114 Ca -0.05 0.31 0.06 0.00 0.00 0.00 0.00 54.91 55.23 3knm h ALA 114 Cb 0.50 0.59 -0.06 0.00 0.00 0.00 0.00 17.79 18.82 3knm h ALA 114 CO 0.08 -0.42 -0.11 0.52 0.00 0.00 0.00 179.25 179.31 3knm h MET 115 N 0.02 -0.06 0.06 0.00 2.86 -1.14 0.21 114.93 116.88 3knm h MET 115 Ca 0.43 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 58.07 3knm h MET 115 Cb 0.71 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.38 3knm h MET 115 CO -0.83 -0.04 -0.03 1.49 1.06 0.00 0.00 176.91 178.56 3knm h GLU 116 N -0.06 -0.07 -1.00 1.72 4.57 -1.23 -2.96 114.58 115.54 3knm h GLU 116 Ca 0.14 0.01 0.36 0.00 -1.18 0.00 0.00 59.36 58.68 3knm h GLU 116 Cb 0.27 0.02 -0.16 0.00 -0.16 0.00 0.00 28.75 28.72 3knm h GLU 116 CO -0.32 0.53 0.53 0.00 -1.18 0.00 0.00 179.01 178.57 3knm h ALA 117 N -0.01 2.00 0.03 2.92 0.00 0.23 0.38 119.26 124.81 3knm h ALA 117 Ca -0.01 0.23 -0.24 0.00 0.00 0.00 0.00 54.91 54.89 3knm h ALA 117 Cb 0.64 0.24 0.02 0.00 0.00 0.00 0.00 17.79 18.69 3knm h ALA 117 CO 0.01 -0.73 -0.96 -0.07 0.00 0.00 0.00 179.25 177.50 3knm h LEU 118 N 0.18 0.80 -1.47 0.00 3.38 -0.65 -3.23 115.31 114.32 3knm h LEU 118 Ca 0.77 -0.77 0.17 0.00 0.09 0.00 0.00 57.88 58.15 3knm h LEU 118 Cb 1.88 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 42.32 3knm h LEU 118 CO -0.68 1.47 0.56 -0.09 0.09 0.00 0.00 178.44 179.79 3knm h ARG 119 N 0.22 0.47 -0.10 1.13 2.43 -0.09 0.75 114.38 119.19 3knm h ARG 119 Ca -0.13 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.01 3knm h ARG 119 Cb 1.64 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 31.09 3knm h ARG 119 CO 0.19 0.31 0.00 -0.89 -1.51 0.00 0.00 179.97 178.07 3knm n ILE 120 N -4.52 0.00 -0.08 1.20 2.08 -0.72 -2.46 119.36 114.86 3knm n ILE 120 Ca 0.17 0.00 -0.13 0.00 0.56 0.00 0.00 62.75 63.36 3knm n ILE 120 Cb 0.59 -0.21 -0.04 0.00 -0.75 0.00 0.00 39.64 39.23 3knm n ILE 120 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3knm n ALA 121 N -0.39 1.34 0.30 -1.39 0.00 0.26 -4.39 120.51 116.25 3knm n ALA 121 Ca 0.00 -0.75 0.07 0.00 0.00 0.00 0.00 53.44 52.76 3knm n ALA 121 Cb 0.02 0.11 0.37 0.00 0.00 0.00 0.00 19.45 19.96 3knm n ALA 121 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3knm h GLY 122 N -0.82 0.00 0.83 0.00 0.00 -1.39 2.20 103.07 103.89 3knm h GLY 122 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.15 3knm h GLY 122 CO -0.11 0.00 -0.67 1.42 0.00 0.00 0.00 176.54 177.18 3knm n HIS 123 N -2.54 0.12 0.30 5.60 -0.00 -1.22 -3.40 115.22 114.08 3knm n HIS 123 Ca -0.01 0.04 0.11 0.00 -0.00 0.00 0.00 57.72 57.85 3knm n HIS 123 Cb 0.65 -0.31 -0.12 0.00 -0.00 0.00 0.00 29.99 30.21 3knm n HIS 123 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 3knm n LYS 124 N -1.66 0.46 -3.04 -0.41 4.76 0.73 -4.92 118.16 114.08 3knm n LYS 124 Ca 0.04 -0.11 -0.27 0.00 -2.87 0.00 0.00 58.31 55.10 3knm n LYS 124 Cb 0.37 -1.54 -0.02 0.00 -1.84 0.00 0.00 35.03 32.00 3knm n LYS 124 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3knm s LEU 125 N -4.16 3.87 0.03 -0.35 1.43 -0.44 -4.84 118.68 114.23 3knm s LEU 125 Ca -0.02 0.80 0.26 0.00 -1.03 0.00 0.00 54.13 54.13 3knm s LEU 125 Cb 0.14 -3.68 0.63 0.00 0.03 0.00 0.00 46.19 43.31 3knm s LEU 125 CO 0.88 -0.37 1.51 -0.81 0.23 0.00 0.00 176.35 177.79 3knm n PRO 126 N -1.60 0.07 -3.04 1.29 -0.04 -1.26 -4.92 135.00 125.50 3knm n PRO 126 Ca -0.01 0.02 -0.17 0.00 -0.04 0.00 0.00 63.50 63.30 3knm n PRO 126 Cb 0.55 -1.55 -0.00 0.00 -0.04 0.00 0.00 33.50 32.46 3knm n PRO 126 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 3knm n ILE 127 N -1.65 0.00 -3.32 0.52 -5.35 -1.26 -5.11 119.36 103.19 3knm n ILE 127 Ca 0.05 -1.41 -0.38 0.00 -0.27 0.00 0.00 62.75 60.74 3knm n ILE 127 Cb 0.36 -0.16 -0.06 0.00 -1.74 0.00 0.00 39.64 38.04 3knm n ILE 127 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 3knm s LYS 128 N -3.42 4.15 0.24 6.28 1.02 -1.26 -4.92 119.74 121.82 3knm s LYS 128 Ca 0.18 0.67 0.12 0.00 0.02 0.00 0.00 55.97 56.96 3knm s LYS 128 Cb -0.01 -3.24 -0.05 0.00 -0.52 0.00 0.00 37.83 34.01 3knm s LYS 128 CO 0.12 0.63 -0.22 0.95 -0.92 0.00 0.00 175.35 175.91 3knm s THR 129 N -1.03 2.44 -0.00 2.17 -4.23 -1.26 -1.42 115.64 112.31 3knm s THR 129 Ca 0.28 -2.21 0.04 0.00 -1.18 0.00 0.00 61.69 58.61 3knm s THR 129 Cb -0.19 -2.23 -0.01 0.00 1.34 0.00 0.00 72.50 71.41 3knm s THR 129 CO 0.18 -0.26 -0.12 -0.75 -0.54 0.00 0.00 174.62 173.13 3knm s LYS 130 N -3.10 0.92 0.02 3.99 2.20 -0.26 -4.93 119.74 118.59 3knm s LYS 130 Ca 0.25 -0.45 -0.01 0.00 -0.36 0.00 0.00 55.97 55.41 3knm s LYS 130 Cb -0.06 -0.89 -0.04 0.00 -1.51 0.00 0.00 37.83 35.33 3knm s LYS 130 CO 0.13 0.24 0.16 0.42 -0.36 0.00 0.00 175.35 175.94 3knm s ILE 131 N -0.35 5.19 0.16 5.43 1.01 -1.26 -1.20 121.20 130.19 3knm s ILE 131 Ca 0.04 -0.35 -0.02 0.00 0.00 0.00 0.00 60.65 60.32 3knm s ILE 131 Cb -0.05 -3.46 -0.04 0.00 0.01 0.00 0.00 42.46 38.92 3knm s ILE 131 CO -0.00 0.25 0.11 0.68 0.00 0.00 0.00 174.94 175.98 3knm s VAL 132 N -1.37 0.06 0.00 2.92 -7.23 -0.65 -4.95 120.40 109.17 3knm s VAL 132 Ca 0.29 -1.90 0.00 0.00 -1.81 0.00 0.00 61.98 58.56 3knm s VAL 132 Cb -0.13 -2.22 0.00 0.00 0.56 0.00 0.00 36.38 34.59 3knm s VAL 132 CO 0.21 -0.26 0.00 -1.14 -0.31 0.00 0.00 175.10 173.61 3knm n ARG 133 N -0.18 0.00 0.00 4.82 0.63 -1.26 -2.35 116.66 118.32 3knm n ARG 133 Ca -0.02 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.91 3knm n ARG 133 Cb 0.65 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.56 3knm n ARG 133 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3knm n ARG 134 N 0.00 0.00 0.00 -0.14 5.12 -1.26 -4.24 116.66 116.14 3knm n ARG 134 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 3knm n ARG 134 Cb 0.00 -0.07 0.00 0.00 -1.16 0.00 0.00 32.46 31.23 3knm n ARG 134 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 3knm n ASP 135 N 0.00 0.00 -1.15 0.55 5.75 -1.26 -3.08 116.55 117.36 3knm n ASP 135 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 54.79 54.75 3knm n ASP 135 Cb 0.14 0.00 0.02 0.00 -1.03 0.00 0.00 41.12 40.25 3knm n ASP 135 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3knm n ALA 136 N -0.11 2.87 -1.56 2.12 0.00 -1.26 -4.43 120.51 118.14 3knm n ALA 136 Ca 0.00 -0.35 -0.30 0.00 0.00 0.00 0.00 53.44 52.79 3knm n ALA 136 Cb 0.00 -1.05 -0.01 0.00 0.00 0.00 0.00 19.45 18.38 3knm n ALA 136 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3knm n TYR 137 N 0.30 2.10 -3.98 0.00 4.01 -1.18 -4.86 117.16 113.56 3knm n TYR 137 Ca 0.07 -2.12 -0.31 0.00 -0.16 0.00 0.00 57.90 55.38 3knm n TYR 137 Cb 0.64 -1.29 -0.15 0.00 -0.31 0.00 0.00 39.34 38.22 3knm n TYR 137 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3knm s ASP 138 N -0.21 4.25 0.00 7.72 1.01 -1.26 -4.63 116.67 123.54 3knm s ASP 138 Ca 0.55 -1.49 0.10 0.00 0.71 0.00 0.00 52.55 52.42 3knm s ASP 138 Cb 0.40 -1.36 0.08 0.00 1.01 0.00 0.00 42.92 43.04 3knm s ASP 138 CO -0.25 -0.27 0.82 -0.62 0.21 0.00 0.00 175.17 175.06