#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knm n LYS 2 N 0.00 1.33 -4.68 0.03 2.85 -1.26 -4.55 118.16 111.88 3knm n LYS 2 Ca 0.00 0.48 -0.30 0.00 -1.05 0.00 0.00 58.31 57.44 3knm n LYS 2 Cb 0.00 -2.17 -0.08 0.00 -0.65 0.00 0.00 35.03 32.12 3knm n LYS 2 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 3knm s GLY 3 N 2.19 2.85 0.00 2.58 0.00 -1.26 -1.55 107.32 112.12 3knm s GLY 3 Ca 0.91 -0.83 0.00 0.00 0.00 0.00 0.00 44.72 44.80 3knm s GLY 3 CO 0.55 -2.09 0.00 4.51 0.00 0.00 0.00 173.10 176.07 3knm n ILE 4 N -1.13 0.00 -3.33 0.90 0.13 -0.36 -4.94 119.36 110.62 3knm n ILE 4 Ca -0.14 0.00 -0.35 0.00 -1.10 0.00 0.00 62.75 61.16 3knm n ILE 4 Cb 0.66 0.00 -0.06 0.00 -0.84 0.00 0.00 39.64 39.41 3knm n ILE 4 CO 0.00 0.00 0.00 -0.76 2.80 0.00 0.00 176.55 178.59 3knm s LEU 5 N 0.00 4.29 0.00 9.51 1.43 -1.26 -0.75 118.68 131.89 3knm s LEU 5 Ca 0.00 1.09 0.00 0.00 -1.03 0.00 0.00 54.13 54.19 3knm s LEU 5 Cb 0.00 -3.42 0.00 0.00 0.03 0.00 0.00 46.19 42.80 3knm s LEU 5 CO 0.00 0.04 0.00 0.61 0.23 0.00 0.00 176.35 177.23 3knm n GLY 6 N 0.55 3.56 3.06 -3.19 0.00 0.36 -4.22 105.19 105.30 3knm n GLY 6 Ca -0.03 -1.12 -0.13 0.00 0.00 0.00 0.00 46.02 44.74 3knm n GLY 6 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3knm s VAL 7 N -2.31 -0.21 0.09 1.61 0.11 -0.60 -1.57 120.40 117.52 3knm s VAL 7 Ca 0.00 0.20 -0.32 0.00 -2.93 0.00 0.00 61.98 58.93 3knm s VAL 7 Cb 0.00 -0.43 -0.11 0.00 -1.53 0.00 0.00 36.38 34.31 3knm s VAL 7 CO 0.00 0.08 1.83 1.17 -3.33 0.00 0.00 175.10 174.86 3knm n LYS 8 N 4.73 2.67 -0.10 1.54 4.81 0.37 -1.55 118.16 130.63 3knm n LYS 8 Ca -0.17 0.97 -0.12 0.00 -0.87 0.00 0.00 58.31 58.12 3knm n LYS 8 Cb 0.52 -2.86 -0.13 0.00 0.02 0.00 0.00 35.03 32.58 3knm n LYS 8 CO 0.00 0.00 0.00 1.33 1.17 0.00 0.00 177.40 179.90 3knm n VAL 9 N 4.72 1.29 -0.82 3.15 0.24 -0.05 0.21 118.33 127.07 3knm n VAL 9 Ca 0.19 -0.65 0.00 0.00 -2.04 0.00 0.00 64.34 61.84 3knm n VAL 9 Cb 0.36 -0.89 0.00 0.00 -1.47 0.00 0.00 33.84 31.84 3knm n VAL 9 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3knm n GLY 10 N 2.12 -1.70 3.10 7.63 0.00 -1.15 -4.62 105.19 110.56 3knm n GLY 10 Ca -0.35 -1.45 -0.12 0.00 0.00 0.00 0.00 46.02 44.10 3knm n GLY 10 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3knm s MET 11 N -1.83 0.23 0.00 1.61 0.23 -1.26 0.67 119.30 118.96 3knm s MET 11 Ca 0.00 0.67 0.00 0.00 -1.03 0.00 0.00 55.69 55.33 3knm s MET 11 Cb 0.00 -0.05 0.00 0.00 -1.53 0.00 0.00 34.83 33.25 3knm s MET 11 CO 0.00 -0.20 0.00 0.25 -2.03 0.00 0.00 175.02 173.04 3knm n THR 12 N 4.61 0.00 -3.60 3.16 -2.24 -0.32 -4.93 114.28 110.96 3knm n THR 12 Ca -0.19 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.45 3knm n THR 12 Cb 0.52 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.69 3knm n THR 12 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3knm s ARG 13 N 3.69 0.87 0.44 -0.78 1.70 -1.26 -0.92 118.95 122.69 3knm s ARG 13 Ca 0.00 0.73 0.01 0.00 -0.47 0.00 0.00 55.73 55.99 3knm s ARG 13 Cb 0.00 0.42 -0.00 0.00 -0.57 0.00 0.00 34.95 34.80 3knm s ARG 13 CO 0.00 -0.17 0.03 0.44 -1.08 0.00 0.00 175.30 174.52 3knm n ILE 14 N 2.07 0.00 -3.27 4.99 -0.00 -0.92 -4.90 119.36 117.34 3knm n ILE 14 Ca -0.15 -2.15 -0.32 0.00 -0.00 0.00 0.00 62.75 60.13 3knm n ILE 14 Cb 0.56 0.50 -0.05 0.00 -0.00 0.00 0.00 39.64 40.64 3knm n ILE 14 CO 0.00 0.00 0.00 0.49 -0.00 0.00 0.00 176.55 177.04 3knm n PHE 15 N -1.08 3.26 -2.19 4.28 3.72 -1.26 -0.16 117.46 124.03 3knm n PHE 15 Ca -0.16 -3.68 -0.31 0.00 -0.05 0.00 0.00 57.45 53.25 3knm n PHE 15 Cb 0.57 -0.76 -0.05 0.00 -0.94 0.00 0.00 39.48 38.31 3knm n PHE 15 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 3knm s ARG 16 N -2.64 2.84 -0.08 -1.08 3.52 -1.11 -3.99 118.95 116.41 3knm s ARG 16 Ca 0.38 -0.60 -0.00 0.00 -0.13 0.00 0.00 55.73 55.38 3knm s ARG 16 Cb 0.13 -5.16 -0.00 0.00 -1.56 0.00 0.00 34.95 28.35 3knm s ARG 16 CO 0.02 -3.11 0.07 -3.47 -0.81 0.00 0.00 175.30 168.00 3knm n ASP 17 N 12.63 -2.48 -2.35 -2.12 4.64 -1.26 -4.23 116.55 121.38 3knm n ASP 17 Ca 0.39 -0.03 -0.16 0.00 -1.38 0.00 0.00 54.79 53.61 3knm n ASP 17 Cb 0.48 -1.20 -0.01 0.00 -1.04 0.00 0.00 41.12 39.35 3knm n ASP 17 CO 0.00 0.00 0.00 0.47 -0.82 0.00 0.00 177.20 176.85 3knm n ASP 18 N -1.30 -4.68 -3.66 1.67 8.00 -1.26 -4.94 116.55 110.37 3knm n ASP 18 Ca -0.00 0.13 -0.07 0.00 0.71 0.00 0.00 54.79 55.56 3knm n ASP 18 Cb 0.50 -3.96 -0.08 0.00 -0.02 0.00 0.00 41.12 37.56 3knm n ASP 18 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3knm s ARG 19 N -4.91 0.54 -0.43 -1.24 1.70 -1.26 -5.10 118.95 108.24 3knm s ARG 19 Ca 0.00 1.11 -0.28 0.00 -0.47 0.00 0.00 55.73 56.09 3knm s ARG 19 Cb 0.00 0.24 -0.01 0.00 -0.57 0.00 0.00 34.95 34.62 3knm s ARG 19 CO 0.00 -0.18 1.65 0.00 -1.08 0.00 0.00 175.30 175.69 3knm s ALA 20 N 1.92 2.79 -0.34 7.88 0.00 -1.26 -2.75 121.76 130.01 3knm s ALA 20 Ca -0.08 -0.14 -0.14 0.00 0.00 0.00 0.00 51.96 51.60 3knm s ALA 20 Cb -0.08 -4.05 -0.01 0.00 0.00 0.00 0.00 23.12 18.97 3knm s ALA 20 CO -0.17 -2.82 0.33 0.14 0.00 0.00 0.00 175.76 173.25 3knm s VAL 21 N 6.72 5.20 0.28 0.00 -7.23 0.77 -4.93 120.40 121.21 3knm s VAL 21 Ca 0.69 -0.00 -0.30 0.00 -1.81 0.00 0.00 61.98 60.55 3knm s VAL 21 Cb -0.17 -3.79 -0.11 0.00 0.56 0.00 0.00 36.38 32.88 3knm s VAL 21 CO 0.30 -0.06 1.56 -2.16 -0.31 0.00 0.00 175.10 174.43 3knm s PRO 22 N 1.94 4.16 -0.01 4.82 0.04 -1.26 -2.16 135.00 142.52 3knm s PRO 22 Ca 0.10 2.51 -0.06 0.00 0.04 0.00 0.00 61.00 63.59 3knm s PRO 22 Cb -0.17 -3.05 0.00 0.00 0.04 0.00 0.00 34.50 31.33 3knm s PRO 22 CO 0.11 -0.59 0.13 0.14 0.04 0.00 0.00 177.00 176.83 3knm s VAL 23 N 0.05 0.06 0.04 -0.36 -7.23 -0.10 -2.72 120.40 110.14 3knm s VAL 23 Ca 0.63 -0.50 0.00 0.00 -1.81 0.00 0.00 61.98 60.30 3knm s VAL 23 Cb -0.46 -0.36 -0.04 0.00 0.56 0.00 0.00 36.38 36.08 3knm s VAL 23 CO 0.46 -0.28 0.14 0.28 -0.31 0.00 0.00 175.10 175.39 3knm s THR 24 N -0.96 5.00 -0.15 5.32 -1.32 -0.54 -1.17 115.64 121.83 3knm s THR 24 Ca -0.10 -0.46 -0.01 0.00 -1.21 0.00 0.00 61.69 59.90 3knm s THR 24 Cb -0.06 -3.38 -0.01 0.00 -1.51 0.00 0.00 72.50 67.54 3knm s THR 24 CO 0.01 0.22 -0.11 -0.69 -2.21 0.00 0.00 174.62 171.84 3knm s VAL 25 N -1.37 3.16 0.10 5.08 1.01 0.21 -0.93 120.40 127.66 3knm s VAL 25 Ca 0.29 -0.61 0.10 0.00 0.00 0.00 0.00 61.98 61.76 3knm s VAL 25 Cb -0.12 -2.36 -0.04 0.00 0.00 0.00 0.00 36.38 33.86 3knm s VAL 25 CO 0.21 0.50 -0.23 -0.63 0.00 0.00 0.00 175.10 174.95 3knm s ILE 26 N 0.60 2.46 -0.59 2.22 1.01 0.37 -0.87 121.20 126.40 3knm s ILE 26 Ca -0.06 -1.55 -0.04 0.00 0.00 0.00 0.00 60.65 58.99 3knm s ILE 26 Cb -0.15 -2.07 0.15 0.00 0.01 0.00 0.00 42.46 40.40 3knm s ILE 26 CO 0.03 0.17 0.41 -0.22 0.00 0.00 0.00 174.94 175.34 3knm s LEU 27 N -1.85 5.37 -0.97 2.97 2.96 -0.59 -0.69 118.68 125.86 3knm s LEU 27 Ca 0.15 -2.64 -0.02 0.00 -0.22 0.00 0.00 54.13 51.40 3knm s LEU 27 Cb -0.10 -1.88 0.29 0.00 0.50 0.00 0.00 46.19 45.00 3knm s LEU 27 CO 0.06 -0.43 2.00 0.00 -1.32 0.00 0.00 176.35 176.66 3knm n ALA 28 N 3.80 6.31 -0.59 5.97 0.00 -1.19 -1.55 120.51 133.25 3knm n ALA 28 Ca 0.05 -4.32 -0.13 0.00 0.00 0.00 0.00 53.44 49.05 3knm n ALA 28 Cb 0.39 -2.19 0.10 0.00 0.00 0.00 0.00 19.45 17.75 3knm n ALA 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3knm n GLY 29 N 0.04 -2.07 3.66 0.00 0.00 -1.26 -4.63 105.19 100.94 3knm n GLY 29 Ca 0.51 -0.57 -0.45 0.00 0.00 0.00 0.00 46.02 45.50 3knm n GLY 29 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3knm n PRO 30 N -0.61 1.97 -4.04 1.61 -0.02 -1.26 -4.85 135.00 127.81 3knm n PRO 30 Ca 0.04 0.70 -0.32 0.00 -2.02 0.00 0.00 63.50 61.91 3knm n PRO 30 Cb 0.25 -2.37 -0.15 0.00 -0.02 0.00 0.00 33.50 31.21 3knm n PRO 30 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3knm s PRO 32 N 1.14 3.69 -0.44 0.00 0.02 -1.12 -0.59 135.00 137.69 3knm s PRO 32 Ca -0.07 1.13 -0.27 0.00 0.02 0.00 0.00 61.00 61.81 3knm s PRO 32 Cb -0.20 -3.99 -0.08 0.00 0.02 0.00 0.00 34.50 30.26 3knm s PRO 32 CO -0.06 -1.41 2.37 1.55 -0.33 0.00 0.00 177.00 179.12 3knm n VAL 33 N 6.75 0.04 0.16 3.83 3.14 -0.96 -2.31 118.33 129.00 3knm n VAL 33 Ca 0.16 -0.64 0.04 0.00 -2.96 0.00 0.00 64.34 60.94 3knm n VAL 33 Cb 0.47 -2.56 0.20 0.00 -1.06 0.00 0.00 33.84 30.89 3knm n VAL 33 CO 0.00 0.00 0.00 0.58 -6.46 0.00 0.00 176.83 170.95 3knm h VAL 34 N 7.55 0.92 -1.12 1.55 2.07 -1.42 -3.47 116.25 122.33 3knm h VAL 34 Ca -0.27 -1.89 0.19 0.00 0.82 0.00 0.00 66.70 65.55 3knm h VAL 34 Cb 1.27 2.17 -0.32 0.00 -1.52 0.00 0.00 31.29 32.89 3knm h VAL 34 CO 1.11 0.45 0.67 -1.58 0.02 0.00 0.00 177.57 178.24 3knm s GLN 35 N -3.31 0.11 0.56 1.57 0.74 -1.19 -4.39 119.66 113.75 3knm s GLN 35 Ca 0.02 0.19 -0.14 0.00 0.05 0.00 0.00 55.36 55.48 3knm s GLN 35 Cb 0.10 0.03 -0.06 0.00 1.10 0.00 0.00 33.01 34.17 3knm s GLN 35 CO 0.71 -0.02 1.01 1.03 -0.55 0.00 0.00 175.29 177.47 3knm s ARG 36 N 1.14 3.80 -0.33 1.67 3.00 -1.26 -1.32 118.95 125.63 3knm s ARG 36 Ca -0.08 0.86 0.07 0.00 0.00 0.00 0.00 55.73 56.59 3knm s ARG 36 Cb -0.02 -2.11 0.45 0.00 0.00 0.00 0.00 34.95 33.26 3knm s ARG 36 CO -0.11 -0.40 1.16 0.54 0.00 0.00 0.00 175.30 176.48 3knm n ARG 37 N -2.10 3.41 -0.44 3.54 5.12 -0.07 -4.90 116.66 121.23 3knm n ARG 37 Ca 0.06 -4.22 -0.16 0.00 -1.93 0.00 0.00 57.85 51.60 3knm n ARG 37 Cb 0.54 -2.21 0.02 0.00 -1.16 0.00 0.00 32.46 29.64 3knm n ARG 37 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 3knm n THR 38 N -0.62 0.00 0.06 0.55 -2.24 -1.26 -0.02 114.28 110.74 3knm n THR 38 Ca 0.40 -0.15 -0.03 0.00 -2.27 0.00 0.00 64.05 61.99 3knm n THR 38 Cb 0.86 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 69.08 3knm n THR 38 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 3knm h PRO 39 N -0.44 -0.20 0.00 -0.78 0.11 -1.88 -2.18 132.00 126.63 3knm h PRO 39 Ca -0.19 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.94 3knm h PRO 39 Cb 0.58 0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.74 3knm h PRO 39 CO 0.10 -0.13 0.26 -0.85 -0.21 0.00 0.00 178.00 177.16 3knm n GLU 40 N -4.01 0.00 0.00 1.05 0.00 -1.26 0.13 120.64 116.54 3knm n GLU 40 Ca -0.03 0.21 0.00 0.00 0.00 0.00 0.00 57.16 57.35 3knm n GLU 40 Cb 0.08 -1.76 0.00 0.00 0.00 0.00 0.00 31.44 29.76 3knm n GLU 40 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 3knm n LYS 41 N -1.20 0.00 0.07 3.44 5.02 -1.25 -4.83 118.16 119.41 3knm n LYS 41 Ca 0.00 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.20 3knm n LYS 41 Cb 0.26 -0.17 -0.13 0.00 -0.02 0.00 0.00 35.03 34.97 3knm n LYS 41 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 3knm h ASP 42 N 0.00 0.10 0.00 4.39 3.32 -1.46 -3.49 116.42 119.28 3knm h ASP 42 Ca 0.00 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.94 3knm h ASP 42 Cb 0.00 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.52 3knm h ASP 42 CO 0.00 1.08 0.00 0.61 -1.72 0.00 0.00 179.24 179.21 3knm n GLY 43 N 1.40 0.92 0.00 2.75 0.00 0.34 -4.96 105.19 105.63 3knm n GLY 43 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3knm n GLY 43 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3knm n TYR 44 N -1.77 0.00 -0.90 1.61 4.11 -1.21 -4.84 117.16 114.16 3knm n TYR 44 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.90 3knm n TYR 44 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.34 3knm n TYR 44 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.86 179.27 3knm n THR 45 N -0.27 -1.80 -3.87 -3.48 -1.04 0.97 -4.74 114.28 100.04 3knm n THR 45 Ca 0.00 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 61.93 3knm n THR 45 Cb 0.00 -2.43 -0.01 0.00 -1.82 0.00 0.00 70.33 66.07 3knm n THR 45 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3knm s ALA 46 N 0.00 -0.79 -0.29 2.41 0.00 -1.24 -1.53 121.76 120.33 3knm s ALA 46 Ca 0.00 -0.63 -0.04 0.00 0.00 0.00 0.00 51.96 51.30 3knm s ALA 46 Cb 0.00 0.83 0.10 0.00 0.00 0.00 0.00 23.12 24.04 3knm s ALA 46 CO 0.00 -0.98 0.12 0.08 0.00 0.00 0.00 175.76 174.98 3knm s VAL 47 N -3.24 0.03 -0.92 0.00 1.01 -1.26 -0.89 120.40 115.13 3knm s VAL 47 Ca 0.15 -0.81 -0.24 0.00 0.00 0.00 0.00 61.98 61.08 3knm s VAL 47 Cb -0.05 -1.04 -0.04 0.00 0.00 0.00 0.00 36.38 35.26 3knm s VAL 47 CO 0.10 -0.71 1.89 -1.58 0.00 0.00 0.00 175.10 174.80 3knm s GLN 48 N 2.05 2.68 0.36 2.72 0.74 -0.44 -2.97 119.66 124.80 3knm s GLN 48 Ca 0.09 -0.41 -0.24 0.00 0.05 0.00 0.00 55.36 54.85 3knm s GLN 48 Cb -0.16 -5.10 -0.10 0.00 1.10 0.00 0.00 33.01 28.74 3knm s GLN 48 CO -0.35 -3.25 0.94 -0.51 -0.55 0.00 0.00 175.29 171.57 3knm s LEU 49 N 9.48 4.18 0.17 3.68 1.02 0.28 -1.06 118.68 136.42 3knm s LEU 49 Ca 0.67 1.76 0.05 0.00 0.02 0.00 0.00 54.13 56.64 3knm s LEU 49 Cb -0.06 -4.21 -0.04 0.00 0.02 0.00 0.00 46.19 41.90 3knm s LEU 49 CO -0.02 -0.18 0.13 -0.83 0.02 0.00 0.00 176.35 175.47 3knm s GLY 50 N -1.85 1.69 0.06 -3.19 0.00 -0.98 -1.58 107.32 101.48 3knm s GLY 50 Ca 0.55 -1.24 -0.16 0.00 0.00 0.00 0.00 44.72 43.86 3knm s GLY 50 CO 0.19 -1.25 0.38 -0.12 0.00 0.00 0.00 173.10 172.30 3knm s PHE 51 N -1.78 -0.20 -0.44 1.90 5.99 -1.03 -2.81 117.98 119.60 3knm s PHE 51 Ca 0.31 0.08 -0.01 0.00 0.00 0.00 0.00 56.93 57.30 3knm s PHE 51 Cb -0.10 0.19 -0.02 0.00 0.00 0.00 0.00 43.02 43.09 3knm s PHE 51 CO 0.23 -0.58 0.40 -0.11 -0.00 0.00 0.00 175.22 175.16 3knm n LEU 52 N 0.37 -4.09 -3.95 6.12 7.94 -1.26 -2.96 117.00 119.16 3knm n LEU 52 Ca -0.18 -0.19 -0.25 0.00 -1.11 0.00 0.00 56.01 54.27 3knm n LEU 52 Cb 0.60 -2.00 0.04 0.00 0.53 0.00 0.00 43.42 42.60 3knm n LEU 52 CO 0.20 -0.25 -1.21 -2.65 -1.11 0.00 0.00 177.39 172.37 3knm n PRO 53 N -1.87 -0.34 -0.48 1.96 -0.02 -1.26 0.46 135.00 133.45 3knm n PRO 53 Ca -0.02 -0.10 0.06 0.00 -2.02 0.00 0.00 63.50 61.42 3knm n PRO 53 Cb 0.53 -1.10 -0.03 0.00 -0.02 0.00 0.00 33.50 32.88 3knm n PRO 53 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 3knm n GLN 54 N 1.58 -1.09 0.00 -0.52 7.27 -1.18 -4.16 117.38 119.28 3knm n GLN 54 Ca -0.01 0.86 0.00 0.00 0.07 0.00 0.00 57.00 57.92 3knm n GLN 54 Cb 0.49 -1.28 0.00 0.00 2.41 0.00 0.00 30.24 31.86 3knm n GLN 54 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 3knm n ASN 55 N -2.92 0.00 -3.63 1.69 5.03 -1.26 -3.29 115.26 110.87 3knm n ASN 55 Ca -0.02 0.00 -0.34 0.00 0.87 0.00 0.00 54.58 55.09 3knm n ASN 55 Cb 0.23 0.00 -0.09 0.00 -1.02 0.00 0.00 39.78 38.90 3knm n ASN 55 CO 0.00 0.00 0.00 -2.65 -1.83 0.00 0.00 177.26 172.78 3knm n PRO 56 N 0.00 0.00 -3.44 3.52 -0.02 -1.26 -4.07 135.00 129.73 3knm n PRO 56 Ca 0.00 -0.76 -0.16 0.00 -2.02 0.00 0.00 63.50 60.57 3knm n PRO 56 Cb 0.00 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.34 3knm n PRO 56 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3knm n LYS 57 N 6.89 -0.69 -0.72 -0.52 5.02 -1.26 -4.71 118.16 122.18 3knm n LYS 57 Ca 0.35 0.08 0.07 0.00 -2.02 0.00 0.00 58.31 56.79 3knm n LYS 57 Cb 0.38 -0.82 0.34 0.00 -0.02 0.00 0.00 35.03 34.92 3knm n LYS 57 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3knm n ARG 58 N -2.05 4.12 0.00 1.97 1.74 -1.26 -4.86 116.66 116.32 3knm n ARG 58 Ca -0.11 -2.69 0.00 0.00 -0.77 0.00 0.00 57.85 54.28 3knm n ARG 58 Cb 0.29 -2.07 0.00 0.00 -1.02 0.00 0.00 32.46 29.66 3knm n ARG 58 CO 0.00 0.00 0.00 1.55 -1.52 0.00 0.00 177.63 177.66 3knm n VAL 59 N 0.68 0.00 -3.28 1.55 3.14 -1.26 -5.12 118.33 114.05 3knm n VAL 59 Ca 0.24 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.62 3knm n VAL 59 Cb 1.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.78 3knm n VAL 59 CO 0.00 0.00 0.00 -0.46 -6.46 0.00 0.00 176.83 169.91 3knm n ASN 60 N 0.00 0.00 -0.40 6.55 6.94 -1.26 -4.94 115.26 122.14 3knm n ASN 60 Ca 0.00 0.00 0.33 0.00 -0.02 0.00 0.00 54.58 54.89 3knm n ASN 60 Cb 0.00 0.00 0.63 0.00 -2.36 0.00 0.00 39.78 38.05 3knm n ASN 60 CO 0.00 0.00 0.00 0.08 -1.03 0.00 0.00 177.26 176.31 3knm h ARG 61 N 0.96 0.17 -1.08 -3.83 0.11 -2.04 1.27 114.38 109.94 3knm h ARG 61 Ca 0.00 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.07 3knm h ARG 61 Cb 0.00 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 31.04 3knm h ARG 61 CO 0.00 0.11 0.00 -0.35 0.10 0.00 0.00 179.97 179.83 3knm n PRO 62 N -4.53 0.80 -0.45 0.08 -0.04 -1.26 -3.98 135.00 125.62 3knm n PRO 62 Ca 0.32 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.77 3knm n PRO 62 Cb 1.25 -1.19 -0.02 0.00 -0.04 0.00 0.00 33.50 33.51 3knm n PRO 62 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 3knm n LEU 63 N 0.45 4.37 -4.48 1.53 0.00 0.44 -4.82 117.00 114.49 3knm n LEU 63 Ca 0.00 -2.05 -0.15 0.00 0.00 0.00 0.00 56.01 53.81 3knm n LEU 63 Cb 0.34 -0.95 -0.12 0.00 0.00 0.00 0.00 43.42 42.69 3knm n LEU 63 CO 0.00 0.88 1.47 1.17 0.00 0.00 0.00 177.39 180.91 3knm n LYS 64 N 1.70 0.24 -0.11 1.96 4.81 -1.26 -4.59 118.16 120.92 3knm n LYS 64 Ca 0.04 -0.58 0.09 0.00 -0.87 0.00 0.00 58.31 57.00 3knm n LYS 64 Cb 0.45 -2.50 0.32 0.00 0.02 0.00 0.00 35.03 33.32 3knm n LYS 64 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3knm n GLY 65 N 6.01 0.39 0.00 3.14 0.00 -1.26 -4.75 105.19 108.72 3knm n GLY 65 Ca 0.48 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3knm n GLY 65 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3knm n HIS 66 N 0.38 0.00 -0.82 1.61 -0.00 -1.26 -4.48 115.22 110.65 3knm n HIS 66 Ca 0.15 0.00 -0.34 0.00 -0.00 0.00 0.00 57.72 57.53 3knm n HIS 66 Cb 0.32 0.00 0.11 0.00 -0.00 0.00 0.00 29.99 30.42 3knm n HIS 66 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.34 177.53 3knm n PHE 67 N 0.00 -2.00 0.00 1.57 3.01 -1.26 -4.88 117.46 113.90 3knm n PHE 67 Ca 0.00 0.24 0.00 0.00 1.01 0.00 0.00 57.45 58.70 3knm n PHE 67 Cb 0.00 -1.56 0.00 0.00 -0.01 0.00 0.00 39.48 37.91 3knm n PHE 67 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3knm n ALA 68 N -3.73 0.00 0.00 4.37 0.00 -1.26 -3.20 120.51 116.69 3knm n ALA 68 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3knm n ALA 68 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.07 3knm n ALA 68 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3knm n LYS 69 N 0.00 0.00 0.24 0.00 5.02 -1.26 -2.99 118.16 119.17 3knm n LYS 69 Ca 0.00 0.00 0.16 0.00 -2.02 0.00 0.00 58.31 56.45 3knm n LYS 69 Cb 0.00 -0.69 0.72 0.00 -0.02 0.00 0.00 35.03 35.04 3knm n LYS 69 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3knm h ALA 70 N 0.36 1.70 0.00 7.82 0.00 -1.79 -3.41 119.26 123.93 3knm h ALA 70 Ca 0.00 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 3knm h ALA 70 Cb 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3knm h ALA 70 CO 0.00 -0.54 0.25 0.41 0.00 0.00 0.00 179.25 179.37 3knm n GLY 71 N -1.35 -0.05 2.43 0.00 0.00 -1.16 -2.98 105.19 102.07 3knm n GLY 71 Ca 0.02 0.18 -0.02 0.00 0.00 0.00 0.00 46.02 46.21 3knm n GLY 71 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3knm n VAL 72 N 1.13-12.84 -1.99 1.61 0.31 -1.26 -4.88 118.33 100.42 3knm n VAL 72 Ca 0.10 2.96 -0.37 0.00 -0.01 0.00 0.00 64.34 67.03 3knm n VAL 72 Cb -0.00 -6.06 0.03 0.00 -0.91 0.00 0.00 33.84 26.90 3knm n VAL 72 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 3knm s GLU 73 N -0.59 3.11 0.03 5.55 2.56 -1.16 -4.44 118.70 123.76 3knm s GLU 73 Ca -0.08 1.92 -0.17 0.00 0.00 0.00 0.00 54.97 56.64 3knm s GLU 73 Cb 0.01 -2.07 -0.06 0.00 2.00 0.00 0.00 34.13 34.00 3knm s GLU 73 CO 0.21 -1.12 0.50 -1.25 -0.56 0.00 0.00 175.26 173.04 3knm s PRO 74 N -3.14 4.10 0.00 4.30 0.04 -1.26 -3.13 135.00 135.90 3knm s PRO 74 Ca 0.74 0.58 0.00 0.00 0.04 0.00 0.00 61.00 62.37 3knm s PRO 74 Cb -0.33 -3.25 0.00 0.00 0.04 0.00 0.00 34.50 30.97 3knm s PRO 74 CO 0.37 0.62 0.81 0.28 0.04 0.00 0.00 177.00 179.11 3knm n VAL 75 N 1.93 0.00 0.00 -0.36 0.31 0.17 -1.78 118.33 118.60 3knm n VAL 75 Ca -0.11 1.31 0.00 0.00 -0.01 0.00 0.00 64.34 65.52 3knm n VAL 75 Cb 0.51 -1.96 0.00 0.00 -0.91 0.00 0.00 33.84 31.48 3knm n VAL 75 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3knm n ARG 76 N -1.99 0.00 0.00 5.55 3.00 -1.16 -4.75 116.66 117.32 3knm n ARG 76 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 3knm n ARG 76 Cb 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 32.46 31.45 3knm n ARG 76 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 3knm n ILE 77 N 1.14 0.00 -4.17 0.55 5.41 -0.74 -4.44 119.36 117.12 3knm n ILE 77 Ca 0.00 0.00 -0.16 0.00 1.00 0.00 0.00 62.75 63.59 3knm n ILE 77 Cb 0.00 0.00 -0.14 0.00 -0.71 0.00 0.00 39.64 38.79 3knm n ILE 77 CO 0.00 0.00 0.00 -1.48 0.00 0.00 0.00 176.55 175.07 3knm s LEU 78 N 0.00 2.07 0.18 1.39 2.34 -1.26 -2.47 118.68 120.93 3knm s LEU 78 Ca 0.00 -0.22 0.06 0.00 0.06 0.00 0.00 54.13 54.03 3knm s LEU 78 Cb 0.00 -0.29 -0.05 0.00 -0.56 0.00 0.00 46.19 45.30 3knm s LEU 78 CO 0.00 0.01 -0.13 -0.13 -1.06 0.00 0.00 176.35 175.04 3knm s ARG 79 N -0.50 1.20 0.34 1.48 3.00 -0.62 -4.95 118.95 118.91 3knm s ARG 79 Ca -0.00 -1.52 0.07 0.00 0.00 0.00 0.00 55.73 54.28 3knm s ARG 79 Cb -0.04 -0.91 -0.03 0.00 0.00 0.00 0.00 34.95 33.97 3knm s ARG 79 CO -0.00 0.14 0.31 -1.21 0.00 0.00 0.00 175.30 174.54 3knm s GLU 80 N -3.63 2.76 -0.17 3.54 2.02 -1.26 -0.56 118.70 121.39 3knm s GLU 80 Ca 0.19 -1.27 -0.03 0.00 0.02 0.00 0.00 54.97 53.88 3knm s GLU 80 Cb 0.00 -2.51 -0.09 0.00 0.10 0.00 0.00 34.13 31.63 3knm s GLU 80 CO 0.04 0.09 -0.18 -0.89 0.02 0.00 0.00 175.26 174.34 3knm n ILE 81 N -1.40 0.96 -0.41 -1.63 2.08 -1.16 -4.93 119.36 112.87 3knm n ILE 81 Ca -0.02 -0.31 0.00 0.00 0.56 0.00 0.00 62.75 62.98 3knm n ILE 81 Cb 0.60 -1.36 0.00 0.00 -0.75 0.00 0.00 39.64 38.12 3knm n ILE 81 CO 0.00 0.00 0.00 -1.14 0.56 0.00 0.00 176.55 175.97 3knm n ARG 82 N -3.32 0.00 -3.38 0.38 0.00 -1.26 -4.88 116.66 104.19 3knm n ARG 82 Ca -0.32 0.40 -0.19 0.00 -0.00 0.00 0.00 57.85 57.75 3knm n ARG 82 Cb 0.78 -0.00 0.07 0.00 0.00 0.00 0.00 32.46 33.31 3knm n ARG 82 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 3knm n ASP 83 N 0.00 -5.54 -3.05 6.15 8.00 -0.58 -4.76 116.55 116.77 3knm n ASP 83 Ca 0.00 -0.76 0.03 0.00 0.71 0.00 0.00 54.79 54.77 3knm n ASP 83 Cb 0.00 -4.80 0.00 0.00 -0.02 0.00 0.00 41.12 36.30 3knm n ASP 83 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3knm s PHE 84 N -3.42 -0.88 -0.35 1.24 2.19 -1.26 -1.72 117.98 113.78 3knm s PHE 84 Ca 0.38 0.35 -0.08 0.00 0.33 0.00 0.00 56.93 57.91 3knm s PHE 84 Cb -0.07 0.16 0.03 0.00 -1.31 0.00 0.00 43.02 41.83 3knm s PHE 84 CO 0.77 -0.55 0.14 1.21 1.83 0.00 0.00 175.22 178.62 3knm s ASN 85 N 2.48 5.46 0.41 6.13 3.84 -1.26 -4.17 114.94 127.83 3knm s ASN 85 Ca 0.19 -1.01 -0.24 0.00 0.21 0.00 0.00 52.86 52.01 3knm s ASN 85 Cb -0.02 -1.93 -0.09 0.00 -0.55 0.00 0.00 41.25 38.66 3knm s ASN 85 CO -0.19 -0.33 1.08 -2.16 -2.79 0.00 0.00 177.10 172.72 3knm s PRO 86 N 1.48 4.07 0.12 0.43 0.04 -1.26 -4.95 135.00 134.94 3knm s PRO 86 Ca 0.00 1.59 0.04 0.00 0.04 0.00 0.00 61.00 62.68 3knm s PRO 86 Cb -0.19 -2.52 -0.18 0.00 0.04 0.00 0.00 34.50 31.65 3knm s PRO 86 CO 0.04 -0.24 1.28 1.05 0.04 0.00 0.00 177.00 179.17 3knm h GLU 87 N 2.41 0.07 0.00 4.56 4.11 -1.99 -3.46 114.58 120.29 3knm h GLU 87 Ca -0.49 -0.11 -0.28 0.00 0.07 0.00 0.00 59.36 58.56 3knm h GLU 87 Cb 1.22 0.04 0.13 0.00 0.50 0.00 0.00 28.75 30.64 3knm h GLU 87 CO 0.62 1.02 0.14 0.41 0.07 0.00 0.00 179.01 181.27 3knm n GLY 88 N 1.29 -2.29 0.16 1.06 0.00 -1.26 -4.98 105.19 99.17 3knm n GLY 88 Ca -0.02 -1.54 0.05 0.00 0.00 0.00 0.00 46.02 44.51 3knm n GLY 88 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3knm n ASP 89 N -4.06 0.99 -3.70 1.61 5.68 -1.26 -4.95 116.55 110.86 3knm n ASP 89 Ca 0.11 -0.99 -0.11 0.00 -0.50 0.00 0.00 54.79 53.29 3knm n ASP 89 Cb 0.40 0.66 -0.12 0.00 -1.14 0.00 0.00 41.12 40.91 3knm n ASP 89 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3knm s THR 90 N -1.62 -0.16 -0.29 2.12 2.01 -1.26 -2.25 115.64 114.18 3knm s THR 90 Ca 0.07 0.15 -0.25 0.00 0.31 0.00 0.00 61.69 61.98 3knm s THR 90 Cb 0.08 -0.50 0.00 0.00 0.01 0.00 0.00 72.50 72.10 3knm s THR 90 CO 0.32 0.06 0.84 -0.69 -0.69 0.00 0.00 174.62 174.47 3knm s VAL 91 N 1.64 4.76 0.00 3.82 1.01 0.24 -4.90 120.40 126.97 3knm s VAL 91 Ca -0.07 1.36 0.00 0.00 0.00 0.00 0.00 61.98 63.27 3knm s VAL 91 Cb -0.10 -4.18 0.00 0.00 0.00 0.00 0.00 36.38 32.09 3knm s VAL 91 CO -0.10 -0.25 0.00 0.35 0.00 0.00 0.00 175.10 175.10 3knm n THR 92 N 5.52 0.00 0.00 3.92 -2.24 -1.26 -1.32 114.28 118.90 3knm n THR 92 Ca 0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 3knm n THR 92 Cb 0.48 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.71 3knm n THR 92 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3knm n VAL 93 N 0.00 0.00 0.00 2.28 0.31 -1.26 -4.68 118.33 114.98 3knm n VAL 93 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3knm n VAL 93 Cb 0.00 0.14 0.00 0.00 -0.91 0.00 0.00 33.84 33.07 3knm n VAL 93 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3knm n GLU 94 N -1.31 0.00 0.03 5.55 1.02 -1.26 0.06 120.64 124.72 3knm n GLU 94 Ca 0.00 0.16 0.09 0.00 -0.02 0.00 0.00 57.16 57.39 3knm n GLU 94 Cb 0.09 -1.55 0.39 0.00 -0.02 0.00 0.00 31.44 30.35 3knm n GLU 94 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3knm n ILE 95 N -1.10 0.83 -4.53 -3.67 -0.00 -1.26 -4.63 119.36 104.99 3knm n ILE 95 Ca 0.00 0.20 -0.33 0.00 -0.00 0.00 0.00 62.75 62.61 3knm n ILE 95 Cb 0.05 -0.96 -0.15 0.00 -0.00 0.00 0.00 39.64 38.58 3knm n ILE 95 CO 0.00 0.00 0.00 -0.36 -0.00 0.00 0.00 176.55 176.19 3knm s PHE 96 N -3.07 2.80 -0.08 1.39 0.08 0.11 -5.05 117.98 114.15 3knm s PHE 96 Ca 0.07 -0.96 -0.16 0.00 0.12 0.00 0.00 56.93 56.00 3knm s PHE 96 Cb 0.11 -1.89 -0.05 0.00 -0.57 0.00 0.00 43.02 40.61 3knm s PHE 96 CO 0.33 -0.43 0.42 0.15 -0.10 0.00 0.00 175.22 175.59 3knm s LYS 97 N 0.77 4.17 -0.16 0.44 -0.14 -1.26 -4.96 119.74 118.60 3knm s LYS 97 Ca -0.06 0.37 -0.29 0.00 -1.36 0.00 0.00 55.97 54.63 3knm s LYS 97 Cb -0.15 -3.35 -0.05 0.00 -1.68 0.00 0.00 37.83 32.60 3knm s LYS 97 CO 0.01 0.37 1.87 -2.14 -0.76 0.00 0.00 175.35 174.70 3knm s PRO 98 N -0.05 3.67 0.00 -1.68 0.02 -1.26 -1.45 135.00 134.26 3knm s PRO 98 Ca 0.23 1.97 0.00 0.00 0.02 0.00 0.00 61.00 63.23 3knm s PRO 98 Cb -0.15 -4.16 0.00 0.00 0.02 0.00 0.00 34.50 30.20 3knm s PRO 98 CO 0.10 -1.46 0.00 0.41 -0.33 0.00 0.00 177.00 175.72 3knm n GLY 99 N 4.96 1.40 3.86 0.52 0.00 -0.00 -4.99 105.19 110.94 3knm n GLY 99 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 3knm n GLY 99 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3knm s GLU 100 N 0.00 2.41 0.09 1.61 2.02 -0.53 -4.73 118.70 119.57 3knm s GLU 100 Ca 0.00 0.45 0.05 0.00 0.02 0.00 0.00 54.97 55.48 3knm s GLU 100 Cb 0.00 -1.97 -0.04 0.00 0.10 0.00 0.00 34.13 32.22 3knm s GLU 100 CO 0.00 -1.35 -0.00 1.03 0.02 0.00 0.00 175.26 174.95 3knm s ARG 101 N -5.33 2.54 0.30 1.61 1.81 -1.26 -0.44 118.95 118.17 3knm s ARG 101 Ca 0.60 -0.84 0.03 0.00 -1.72 0.00 0.00 55.73 53.80 3knm s ARG 101 Cb -0.12 -2.54 -0.04 0.00 -0.45 0.00 0.00 34.95 31.80 3knm s ARG 101 CO 0.52 0.54 0.13 0.14 -0.68 0.00 0.00 175.30 175.95 3knm s VAL 102 N -1.30 0.49 -0.29 3.52 -7.23 -0.08 -2.62 120.40 112.90 3knm s VAL 102 Ca 0.25 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.44 3knm s VAL 102 Cb -0.12 -2.56 0.08 0.00 0.56 0.00 0.00 36.38 34.34 3knm s VAL 102 CO 0.18 0.00 -0.00 -1.81 -0.31 0.00 0.00 175.10 173.16 3knm s ASP 103 N -3.38 4.26 -0.13 4.85 1.11 0.77 0.52 116.67 124.66 3knm s ASP 103 Ca 0.36 -1.60 -0.07 0.00 0.18 0.00 0.00 52.55 51.41 3knm s ASP 103 Cb 0.06 -1.32 -0.04 0.00 1.07 0.00 0.00 42.92 42.69 3knm s ASP 103 CO 0.16 -0.31 0.12 -0.69 1.18 0.00 0.00 175.17 175.63 3knm s VAL 104 N 1.23 5.36 -0.01 -1.27 1.01 -1.12 -1.50 120.40 124.10 3knm s VAL 104 Ca 0.02 0.16 0.04 0.00 0.00 0.00 0.00 61.98 62.19 3knm s VAL 104 Cb -0.19 -3.35 -0.01 0.00 0.00 0.00 0.00 36.38 32.83 3knm s VAL 104 CO -0.10 0.58 -0.12 -0.89 0.00 0.00 0.00 175.10 174.57 3knm s THR 105 N -0.73 1.00 0.00 3.92 2.01 -0.74 -1.97 115.64 119.14 3knm s THR 105 Ca 0.13 -0.53 0.00 0.00 0.31 0.00 0.00 61.69 61.61 3knm s THR 105 Cb -0.12 -0.84 0.00 0.00 0.01 0.00 0.00 72.50 71.55 3knm s THR 105 CO 0.03 0.29 0.00 0.61 -0.69 0.00 0.00 174.62 174.85 3knm n GLY 106 N 2.88 3.59 2.75 4.40 0.00 -0.99 -0.84 105.19 116.99 3knm n GLY 106 Ca -0.15 -0.64 -0.29 0.00 0.00 0.00 0.00 46.02 44.94 3knm n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3knm s THR 107 N -1.23 0.82 0.36 2.61 2.01 -1.26 -2.23 115.64 116.72 3knm s THR 107 Ca 0.00 -1.17 -0.16 0.00 0.31 0.00 0.00 61.69 60.67 3knm s THR 107 Cb 0.00 -1.51 -0.12 0.00 0.01 0.00 0.00 72.50 70.87 3knm s THR 107 CO 0.00 -0.52 -0.00 -1.54 -0.69 0.00 0.00 174.62 171.86 3knm n SER 108 N 4.89 -2.58 -4.77 3.53 3.41 -0.83 -3.75 113.62 113.52 3knm n SER 108 Ca -0.05 0.60 -0.41 0.00 -0.26 0.00 0.00 58.87 58.75 3knm n SER 108 Cb 0.43 -0.70 -0.01 0.00 -0.26 0.00 0.00 64.21 63.68 3knm n SER 108 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3knm s LYS 109 N -0.80 4.13 -0.16 4.33 1.02 -1.26 -0.19 119.74 126.80 3knm s LYS 109 Ca 0.47 2.55 -0.28 0.00 0.02 0.00 0.00 55.97 58.73 3knm s LYS 109 Cb -0.46 -2.99 -0.01 0.00 -0.52 0.00 0.00 37.83 33.85 3knm s LYS 109 CO 0.51 -0.54 0.94 0.20 -0.92 0.00 0.00 175.35 175.54 3knm s GLY 110 N 0.03 2.11 -0.05 -3.33 0.00 -1.26 -2.80 107.32 102.01 3knm s GLY 110 Ca 0.56 0.19 0.19 0.00 0.00 0.00 0.00 44.72 45.66 3knm s GLY 110 CO 0.58 1.88 1.53 0.54 0.00 0.00 0.00 173.10 177.63 3knm n ARG 111 N 5.40 3.17 0.00 2.90 1.74 0.14 -4.88 116.66 125.13 3knm n ARG 111 Ca 0.08 -2.68 0.00 0.00 -0.77 0.00 0.00 57.85 54.48 3knm n ARG 111 Cb 0.48 -1.67 0.00 0.00 -1.02 0.00 0.00 32.46 30.25 3knm n ARG 111 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3knm n GLY 112 N 1.19 0.93 3.55 -0.13 0.00 -1.22 -4.06 105.19 105.45 3knm n GLY 112 Ca 0.23 -0.68 -0.33 0.00 0.00 0.00 0.00 46.02 45.24 3knm n GLY 112 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3knm s PHE 113 N 0.00 1.30 -0.04 1.61 5.36 -1.26 -1.08 117.98 123.88 3knm s PHE 113 Ca 0.00 1.34 -0.10 0.00 -0.96 0.00 0.00 56.93 57.21 3knm s PHE 113 Cb 0.00 -3.74 -0.05 0.00 -0.34 0.00 0.00 43.02 38.89 3knm s PHE 113 CO 0.00 -2.28 0.28 0.00 -1.46 0.00 0.00 175.22 171.77 3knm s ALA 114 N 11.55 3.80 0.63 11.12 0.00 -1.15 -4.84 121.76 142.87 3knm s ALA 114 Ca 0.86 -0.46 -0.13 0.00 0.00 0.00 0.00 51.96 52.24 3knm s ALA 114 Cb -0.14 -2.16 -0.03 0.00 0.00 0.00 0.00 23.12 20.79 3knm s ALA 114 CO 0.20 0.57 1.04 0.20 0.00 0.00 0.00 175.76 177.77 3knm s GLY 115 N -1.24 1.81 0.33 0.00 0.00 -1.26 -1.85 107.32 105.12 3knm s GLY 115 Ca 0.22 0.11 -0.29 0.00 0.00 0.00 0.00 44.72 44.77 3knm s GLY 115 CO 0.11 0.41 1.41 0.54 0.00 0.00 0.00 173.10 175.57 3knm s VAL 116 N -2.90 2.42 0.00 1.40 0.11 -1.26 -1.88 120.40 118.29 3knm s VAL 116 Ca 0.58 0.40 0.00 0.00 -2.93 0.00 0.00 61.98 60.04 3knm s VAL 116 Cb -0.13 -3.26 0.00 0.00 -1.53 0.00 0.00 36.38 31.46 3knm s VAL 116 CO 0.48 0.09 0.00 1.15 -3.33 0.00 0.00 175.10 173.49 3knm n MET 117 N 0.97 0.00 0.00 1.54 0.00 -1.26 -4.71 117.12 113.67 3knm n MET 117 Ca 0.02 0.43 0.00 0.00 0.00 0.00 0.00 57.70 58.15 3knm n MET 117 Cb 0.40 -1.49 0.00 0.00 0.00 0.00 0.00 33.22 32.13 3knm n MET 117 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 3knm n LYS 118 N -1.06 0.00 0.00 3.17 0.00 -1.19 -4.64 118.16 114.44 3knm n LYS 118 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 3knm n LYS 118 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.53 3knm n LYS 118 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 3knm n ARG 119 N 0.00 0.00 -0.49 1.64 5.12 -0.79 -4.35 116.66 117.79 3knm n ARG 119 Ca 0.00 0.33 0.07 0.00 -1.93 0.00 0.00 57.85 56.32 3knm n ARG 119 Cb 0.00 -0.96 0.27 0.00 -1.16 0.00 0.00 32.46 30.62 3knm n ARG 119 CO 0.00 0.00 0.00 0.91 -1.93 0.00 0.00 177.63 176.61 3knm n TRP 120 N -1.48 1.17 -4.17 -1.55 7.02 -1.26 -4.97 117.44 112.20 3knm n TRP 120 Ca 0.00 -0.46 -0.31 0.00 -1.02 0.00 0.00 57.50 55.71 3knm n TRP 120 Cb 0.00 -0.22 -0.05 0.00 -2.42 0.00 0.00 31.31 28.62 3knm n TRP 120 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 3knm n ASN 121 N 0.76 -0.84 -2.86 -0.99 3.02 -1.26 -4.57 115.26 108.52 3knm n ASN 121 Ca 0.20 -1.10 -0.10 0.00 -0.03 0.00 0.00 54.58 53.54 3knm n ASN 121 Cb 0.73 -2.47 0.08 0.00 -0.61 0.00 0.00 39.78 37.51 3knm n ASN 121 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3knm n PHE 122 N -4.42 -3.32 0.40 3.10 3.01 -1.26 -4.82 117.46 110.15 3knm n PHE 122 Ca -0.18 -0.34 0.04 0.00 1.01 0.00 0.00 57.45 57.98 3knm n PHE 122 Cb 0.62 -0.38 -0.05 0.00 -0.01 0.00 0.00 39.48 39.66 3knm n PHE 122 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3knm n ALA 123 N -3.62 3.11 -1.00 4.37 0.00 -1.26 -4.73 120.51 117.38 3knm n ALA 123 Ca -0.07 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.13 3knm n ALA 123 Cb 0.20 -0.31 0.00 0.00 0.00 0.00 0.00 19.45 19.34 3knm n ALA 123 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3knm n GLY 124 N 1.21 1.00 2.93 0.00 0.00 -1.25 -4.85 105.19 104.24 3knm n GLY 124 Ca 0.02 -0.68 -0.21 0.00 0.00 0.00 0.00 46.02 45.14 3knm n GLY 124 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3knm n GLY 125 N 0.00 2.99 3.77 -0.02 0.00 0.11 -4.87 105.19 107.16 3knm n GLY 125 Ca 0.00 -2.28 -0.38 0.00 0.00 0.00 0.00 46.02 43.35 3knm n GLY 125 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3knm s PRO 126 N -3.69 4.34 -0.00 1.61 0.02 -1.26 -4.78 135.00 131.24 3knm s PRO 126 Ca 0.19 1.69 0.04 0.00 0.02 0.00 0.00 61.00 62.95 3knm s PRO 126 Cb -0.02 -2.83 0.13 0.00 0.02 0.00 0.00 34.50 31.80 3knm s PRO 126 CO 0.12 -0.02 1.07 -0.25 -0.33 0.00 0.00 177.00 177.59 3knm n ASP 127 N 0.48 0.89 0.00 2.53 8.00 -1.26 -4.69 116.55 122.50 3knm n ASP 127 Ca 0.02 -2.02 0.00 0.00 0.71 0.00 0.00 54.79 53.51 3knm n ASP 127 Cb 0.47 -0.14 0.00 0.00 -0.02 0.00 0.00 41.12 41.43 3knm n ASP 127 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3knm n SER 128 N -0.05 0.00 -3.94 -2.24 3.41 -1.26 -5.00 113.62 104.53 3knm n SER 128 Ca 0.05 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.37 3knm n SER 128 Cb 0.15 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.11 3knm n SER 128 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3knm n HIS 129 N 0.00 -2.04 -1.77 7.33 8.25 -1.26 -4.37 115.22 121.36 3knm n HIS 129 Ca 0.00 0.85 0.00 0.00 -0.26 0.00 0.00 57.72 58.31 3knm n HIS 129 Cb 0.00 -3.83 0.00 0.00 1.12 0.00 0.00 29.99 27.28 3knm n HIS 129 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3knm n GLY 130 N -1.66 -0.60 0.93 -1.41 0.00 -1.26 -5.08 105.19 96.11 3knm n GLY 130 Ca -0.06 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.40 3knm n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3knm n ALA 131 N 1.87 -1.85 -1.00 4.61 0.00 -1.26 -4.94 120.51 117.94 3knm n ALA 131 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3knm n ALA 131 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3knm n ALA 131 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3knm n HIS 132 N 0.27 0.00 -1.31 0.00 -0.00 -1.26 -4.65 115.22 108.27 3knm n HIS 132 Ca 0.00 0.00 -0.27 0.00 -0.00 0.00 0.00 57.72 57.45 3knm n HIS 132 Cb 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 29.99 30.01 3knm n HIS 132 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 3knm n LYS 133 N 0.00 2.30 -1.48 -0.41 5.02 -1.26 -4.45 118.16 117.88 3knm n LYS 133 Ca 0.00 -2.43 -0.09 0.00 -2.02 0.00 0.00 58.31 53.77 3knm n LYS 133 Cb 0.00 -2.01 0.10 0.00 -0.02 0.00 0.00 35.03 33.10 3knm n LYS 133 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 3knm n ILE 134 N 0.13 2.16 -0.22 -0.18 -0.00 -1.26 -4.79 119.36 115.20 3knm n ILE 134 Ca 0.46 -3.55 -0.08 0.00 -0.00 0.00 0.00 62.75 59.59 3knm n ILE 134 Cb 0.54 -0.48 0.03 0.00 -0.00 0.00 0.00 39.64 39.73 3knm n ILE 134 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.55 177.00 3knm h HIS 135 N 1.67 1.03 -0.37 4.28 3.86 -1.84 -2.97 115.15 120.82 3knm h HIS 135 Ca 0.15 -0.12 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 3knm h HIS 135 Cb 1.33 -0.29 0.00 0.00 1.06 0.00 0.00 27.41 29.50 3knm h HIS 135 CO 0.75 0.86 0.00 0.54 0.86 0.00 0.00 177.93 180.94 3knm n ARG 136 N -4.35 3.34 -1.95 2.45 1.74 -1.26 0.04 116.66 116.67 3knm n ARG 136 Ca 0.04 -2.78 -0.29 0.00 -0.77 0.00 0.00 57.85 54.05 3knm n ARG 136 Cb 0.23 -1.83 0.07 0.00 -1.02 0.00 0.00 32.46 29.91 3knm n ARG 136 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 3knm s HIS 137 N -2.42 3.08 -0.95 -1.55 3.76 -1.18 -4.77 115.29 111.27 3knm s HIS 137 Ca 0.42 0.81 0.27 0.00 -0.15 0.00 0.00 55.06 56.41 3knm s HIS 137 Cb 0.32 -3.29 0.80 0.00 1.11 0.00 0.00 32.58 31.52 3knm s HIS 137 CO 0.13 -1.50 1.63 -0.35 -0.85 0.00 0.00 174.74 173.80 3knm n PRO 138 N -3.14 0.04 0.00 8.40 -0.04 -1.26 -3.81 135.00 135.20 3knm n PRO 138 Ca 0.07 0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 3knm n PRO 138 Cb 0.60 -1.53 0.00 0.00 -0.04 0.00 0.00 33.50 32.52 3knm n PRO 138 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3knm n GLY 139 N 1.47 0.49 3.96 0.55 0.00 -1.26 -4.85 105.19 105.55 3knm n GLY 139 Ca 0.06 -0.94 -0.23 0.00 0.00 0.00 0.00 46.02 44.91 3knm n GLY 139 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3knm s SER 140 N -4.00 6.32 0.00 1.61 1.04 -1.26 -5.00 113.70 112.41 3knm s SER 140 Ca 0.00 0.23 0.09 0.00 0.48 0.00 0.00 55.95 56.75 3knm s SER 140 Cb 0.00 -1.93 -0.01 0.00 0.10 0.00 0.00 66.02 64.18 3knm s SER 140 CO 0.00 -0.13 0.59 2.30 0.98 0.00 0.00 173.24 176.98 3knm n ILE 141 N -1.39 0.00 -1.98 -1.02 -5.35 -1.26 -5.09 119.36 103.27 3knm n ILE 141 Ca -0.07 -0.40 0.00 0.00 -0.27 0.00 0.00 62.75 62.01 3knm n ILE 141 Cb 0.56 1.10 0.00 0.00 -1.74 0.00 0.00 39.64 39.56 3knm n ILE 141 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3knm n GLY 142 N 0.87 2.74 0.00 3.28 0.00 -1.26 -4.62 105.19 106.20 3knm n GLY 142 Ca 0.04 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.37 3knm n GLY 142 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3knm n ASN 143 N 0.00 0.00 0.00 1.61 5.03 -1.26 -5.14 115.26 115.50 3knm n ASN 143 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 3knm n ASN 143 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 3knm n ASN 143 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 3knm n ARG 144 N 0.00 0.00 -0.23 3.52 5.12 -1.26 -5.01 116.66 118.80 3knm n ARG 144 Ca 0.00 0.00 0.04 0.00 -1.93 0.00 0.00 57.85 55.96 3knm n ARG 144 Cb 0.00 0.00 0.15 0.00 -1.16 0.00 0.00 32.46 31.45 3knm n ARG 144 CO 0.00 0.00 0.00 -0.22 -1.93 0.00 0.00 177.63 175.48 3knm h LYS 145 N 0.00 0.23 -5.08 5.56 3.11 -2.01 -2.29 116.57 116.08 3knm h LYS 145 Ca 0.00 -0.01 -0.63 0.00 -2.81 0.00 0.00 60.65 57.20 3knm h LYS 145 Cb 0.00 -0.05 -0.33 0.00 -1.00 0.00 0.00 32.23 30.85 3knm h LYS 145 CO 0.00 0.15 -0.86 0.95 -2.81 0.00 0.00 179.45 176.88 3knm s THR 146 N -6.08 1.78 0.20 1.00 -4.23 -1.26 -2.65 115.64 104.41 3knm s THR 146 Ca -0.13 -0.85 -0.11 0.00 -1.18 0.00 0.00 61.69 59.42 3knm s THR 146 Cb 0.20 -1.56 0.14 0.00 1.34 0.00 0.00 72.50 72.62 3knm s THR 146 CO 0.75 0.50 1.86 1.55 -0.54 0.00 0.00 174.62 178.74 3knm h PRO 147 N 6.87 0.97 -0.36 3.99 0.13 -1.97 -3.45 132.00 138.18 3knm h PRO 147 Ca -0.24 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 3knm h PRO 147 Cb 1.22 -0.21 0.00 0.00 0.13 0.00 0.00 31.00 32.14 3knm h PRO 147 CO 0.48 0.66 0.00 0.41 -0.23 0.00 0.00 178.00 179.32 3knm n GLY 148 N -1.25 0.85 2.28 1.56 0.00 -0.86 -5.04 105.19 102.74 3knm n GLY 148 Ca 0.07 -0.61 -0.05 0.00 0.00 0.00 0.00 46.02 45.43 3knm n GLY 148 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3knm n ARG 149 N -0.71 0.66 -5.19 1.61 1.85 -1.26 -5.04 116.66 108.57 3knm n ARG 149 Ca 0.00 -1.31 -0.32 0.00 -1.00 0.00 0.00 57.85 55.22 3knm n ARG 149 Cb 0.38 1.64 -0.16 0.00 -1.05 0.00 0.00 32.46 33.27 3knm n ARG 149 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3knm s VAL 150 N -2.44 2.16 0.65 8.89 1.01 -1.26 -4.66 120.40 124.76 3knm s VAL 150 Ca 0.10 -1.00 -0.17 0.00 0.00 0.00 0.00 61.98 60.91 3knm s VAL 150 Cb -0.03 -1.82 -0.08 0.00 0.00 0.00 0.00 36.38 34.46 3knm s VAL 150 CO 0.07 0.56 0.37 -1.22 0.00 0.00 0.00 175.10 174.88 3knm n TYR 151 N 3.27 -1.27 -0.03 5.22 4.01 -1.26 -4.87 117.16 122.24 3knm n TYR 151 Ca -0.18 0.38 -0.04 0.00 -0.16 0.00 0.00 57.90 57.90 3knm n TYR 151 Cb 0.53 -1.87 0.20 0.00 -0.31 0.00 0.00 39.34 37.88 3knm n TYR 151 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 3knm h LYS 152 N -0.12 0.59 -0.62 -0.72 1.63 -2.02 -3.06 116.57 112.26 3knm h LYS 152 Ca -0.45 -0.19 0.00 0.00 -0.85 0.00 0.00 60.65 59.16 3knm h LYS 152 Cb 1.38 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.96 3knm h LYS 152 CO 0.43 0.72 0.00 0.41 -3.45 0.00 0.00 179.45 177.56 3knm n GLY 153 N -0.51 2.84 3.59 5.01 0.00 -1.26 -5.01 105.19 109.83 3knm n GLY 153 Ca 0.01 -0.86 -0.40 0.00 0.00 0.00 0.00 46.02 44.77 3knm n GLY 153 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3knm n LYS 154 N 0.70 1.11 -3.48 1.61 3.00 -1.16 -4.96 118.16 114.97 3knm n LYS 154 Ca 0.26 0.41 -0.38 0.00 -0.00 0.00 0.00 58.31 58.60 3knm n LYS 154 Cb 1.09 -2.00 -0.06 0.00 0.00 0.00 0.00 35.03 34.05 3knm n LYS 154 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 3knm s LYS 155 N -2.17 4.06 0.00 1.64 -0.14 -1.26 -5.06 119.74 116.81 3knm s LYS 155 Ca 0.67 0.34 0.00 0.00 -1.36 0.00 0.00 55.97 55.62 3knm s LYS 155 Cb -0.51 -3.31 0.00 0.00 -1.68 0.00 0.00 37.83 32.33 3knm s LYS 155 CO 0.54 0.48 0.00 -1.33 -0.76 0.00 0.00 175.35 174.29 3knm n MET 156 N 2.59 0.00 -4.05 1.68 2.81 -1.26 -5.07 117.12 113.82 3knm n MET 156 Ca -0.12 0.00 -0.31 0.00 -1.81 0.00 0.00 57.70 55.45 3knm n MET 156 Cb 0.52 0.00 -0.06 0.00 -0.71 0.00 0.00 33.22 32.97 3knm n MET 156 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3knm s ALA 157 N -1.53 3.63 0.00 3.04 0.00 -1.26 -4.29 121.76 121.36 3knm s ALA 157 Ca 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 51.96 51.03 3knm s ALA 157 Cb 0.00 -1.54 0.00 0.00 0.00 0.00 0.00 23.12 21.58 3knm s ALA 157 CO 0.00 0.74 0.00 0.41 0.00 0.00 0.00 175.76 176.91 3knm n GLY 158 N 0.72 2.44 1.76 0.00 0.00 -0.77 -4.95 105.19 104.39 3knm n GLY 158 Ca -0.10 -1.03 -0.31 0.00 0.00 0.00 0.00 46.02 44.58 3knm n GLY 158 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3knm n HIS 159 N -1.00 0.70 -3.80 1.61 -0.00 -1.25 -2.93 115.22 108.55 3knm n HIS 159 Ca 0.00 0.54 -0.20 0.00 -0.00 0.00 0.00 57.72 58.06 3knm n HIS 159 Cb 0.00 -1.05 -0.17 0.00 -0.00 0.00 0.00 29.99 28.77 3knm n HIS 159 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.34 175.87 3knm s TYR 160 N 1.06 0.34 0.00 1.57 6.04 -0.24 -4.84 117.35 121.27 3knm s TYR 160 Ca 0.48 0.03 0.00 0.00 0.04 0.00 0.00 57.07 57.62 3knm s TYR 160 Cb -0.69 -0.55 0.00 0.00 -1.04 0.00 0.00 41.96 39.69 3knm s TYR 160 CO 0.36 -0.21 0.00 0.41 -1.54 0.00 0.00 175.55 174.57 3knm n GLY 161 N 4.79 0.71 2.33 8.97 0.00 -1.26 0.27 105.19 121.01 3knm n GLY 161 Ca -0.14 -2.10 -0.14 0.00 0.00 0.00 0.00 46.02 43.64 3knm n GLY 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3knm n ALA 162 N 1.08 -0.46 -2.49 4.61 0.00 0.73 -4.67 120.51 119.31 3knm n ALA 162 Ca 0.00 0.13 -0.24 0.00 0.00 0.00 0.00 53.44 53.33 3knm n ALA 162 Cb 0.00 -1.87 -0.10 0.00 0.00 0.00 0.00 19.45 17.48 3knm n ALA 162 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 3knm s GLU 163 N -4.82 1.70 0.24 0.00 -1.05 -1.26 -4.85 118.70 108.66 3knm s GLU 163 Ca 0.04 -1.82 -0.30 0.00 -0.15 0.00 0.00 54.97 52.74 3knm s GLU 163 Cb -0.02 -1.68 -0.10 0.00 -0.44 0.00 0.00 34.13 31.89 3knm s GLU 163 CO 0.05 0.24 1.47 0.50 0.95 0.00 0.00 175.26 178.48 3knm s ARG 164 N -3.56 4.24 -0.07 -4.83 3.52 -1.26 -1.96 118.95 115.03 3knm s ARG 164 Ca 0.30 2.34 -0.04 0.00 -0.13 0.00 0.00 55.73 58.21 3knm s ARG 164 Cb -0.02 -3.11 0.03 0.00 -1.56 0.00 0.00 34.95 30.30 3knm s ARG 164 CO 0.15 -0.47 0.16 0.08 -0.81 0.00 0.00 175.30 174.41 3knm s VAL 165 N 0.15 -0.03 -0.08 7.11 1.01 -0.95 -4.89 120.40 122.72 3knm s VAL 165 Ca 0.61 0.12 0.05 0.00 0.00 0.00 0.00 61.98 62.76 3knm s VAL 165 Cb -0.43 -0.26 -0.00 0.00 0.00 0.00 0.00 36.38 35.69 3knm s VAL 165 CO 0.42 0.05 -0.23 -0.89 0.00 0.00 0.00 175.10 174.45 3knm s THR 166 N 0.86 1.92 0.19 3.92 2.01 -1.26 -2.33 115.64 120.95 3knm s THR 166 Ca -0.06 -0.96 0.06 0.00 0.31 0.00 0.00 61.69 61.03 3knm s THR 166 Cb -0.08 -1.65 -0.04 0.00 0.01 0.00 0.00 72.50 70.74 3knm s THR 166 CO -0.05 0.53 0.10 0.54 -0.69 0.00 0.00 174.62 175.06 3knm s VAL 167 N 0.14 4.22 0.23 3.82 0.11 -0.83 -5.00 120.40 123.10 3knm s VAL 167 Ca -0.11 -1.28 0.04 0.00 -2.93 0.00 0.00 61.98 57.70 3knm s VAL 167 Cb -0.16 -3.18 -0.05 0.00 -1.53 0.00 0.00 36.38 31.46 3knm s VAL 167 CO 0.06 -0.17 -0.02 -0.04 -3.33 0.00 0.00 175.10 171.59 3knm s MET 168 N -3.24 1.35 -1.32 1.54 1.00 -1.26 -2.78 119.30 114.58 3knm s MET 168 Ca 0.30 -1.67 0.00 0.00 0.00 0.00 0.00 55.69 54.32 3knm s MET 168 Cb -0.09 -0.72 0.00 0.00 0.00 0.00 0.00 34.83 34.02 3knm s MET 168 CO 0.22 -0.06 0.00 -1.71 0.00 0.00 0.00 175.02 173.48 3knm n ASN 169 N -0.43 -4.41 -4.71 3.03 5.15 0.18 -4.90 115.26 109.18 3knm n ASN 169 Ca -0.06 0.17 -0.42 0.00 -0.60 0.00 0.00 54.58 53.68 3knm n ASN 169 Cb 0.63 -3.77 -0.03 0.00 -0.53 0.00 0.00 39.78 36.09 3knm n ASN 169 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3knm s LEU 170 N -5.45 4.36 0.29 1.20 1.02 -0.64 -4.48 118.68 114.98 3knm s LEU 170 Ca 0.00 2.30 -0.29 0.00 0.02 0.00 0.00 54.13 56.16 3knm s LEU 170 Cb 0.00 -3.58 -0.10 0.00 0.02 0.00 0.00 46.19 42.53 3knm s LEU 170 CO 0.00 -0.68 1.26 -0.70 0.02 0.00 0.00 176.35 176.25 3knm s GLU 171 N 1.40 4.43 -0.36 1.70 2.12 -1.26 -0.90 118.70 125.83 3knm s GLU 171 Ca 0.65 2.08 -0.21 0.00 0.36 0.00 0.00 54.97 57.85 3knm s GLU 171 Cb -0.36 -3.13 0.00 0.00 0.26 0.00 0.00 34.13 30.91 3knm s GLU 171 CO 0.30 -0.10 0.68 0.08 -0.54 0.00 0.00 175.26 175.67 3knm s VAL 172 N -0.87 4.85 0.44 3.70 1.01 0.41 -1.62 120.40 128.32 3knm s VAL 172 Ca 0.50 0.68 0.00 0.00 0.00 0.00 0.00 61.98 63.16 3knm s VAL 172 Cb -0.37 -4.11 -0.01 0.00 0.00 0.00 0.00 36.38 31.89 3knm s VAL 172 CO 0.47 -0.34 0.66 -0.69 0.00 0.00 0.00 175.10 175.19 3knm s VAL 173 N 2.81 4.19 0.00 2.92 1.01 -0.78 -0.82 120.40 129.72 3knm s VAL 173 Ca 0.26 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.77 3knm s VAL 173 Cb -0.14 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.69 3knm s VAL 173 CO 0.15 -0.38 0.00 -0.67 0.00 0.00 0.00 175.10 174.20 3knm n ASP 174 N -2.04 0.00 -3.89 3.32 4.64 -1.26 -3.80 116.55 113.52 3knm n ASP 174 Ca 0.00 0.00 -0.20 0.00 -1.38 0.00 0.00 54.79 53.21 3knm n ASP 174 Cb 0.57 0.00 -0.16 0.00 -1.04 0.00 0.00 41.12 40.49 3knm n ASP 174 CO 0.00 0.00 0.00 0.68 -0.82 0.00 0.00 177.20 177.06 3knm s VAL 175 N 0.00 0.56 -0.96 5.18 -7.23 -1.26 -2.64 120.40 114.05 3knm s VAL 175 Ca 0.00 -0.12 -0.17 0.00 -1.81 0.00 0.00 61.98 59.87 3knm s VAL 175 Cb 0.00 -0.59 0.15 0.00 0.56 0.00 0.00 36.38 36.50 3knm s VAL 175 CO 0.00 0.24 1.12 -0.63 -0.31 0.00 0.00 175.10 175.52 3knm s ILE 176 N 0.99 4.92 0.09 -0.62 1.09 -0.33 -4.90 121.20 122.44 3knm s ILE 176 Ca -0.10 -1.89 -0.31 0.00 -1.10 0.00 0.00 60.65 57.25 3knm s ILE 176 Cb -0.14 -4.75 -0.14 0.00 -1.06 0.00 0.00 42.46 36.36 3knm s ILE 176 CO -0.00 -1.45 1.62 1.55 -0.10 0.00 0.00 174.94 176.55 3knm h PRO 177 N 8.41 -0.71 -0.99 2.79 0.13 -1.96 0.68 132.00 140.36 3knm h PRO 177 Ca 0.17 0.05 0.27 0.00 -0.87 0.00 0.00 66.00 65.62 3knm h PRO 177 Cb 1.00 0.16 -0.18 0.00 0.13 0.00 0.00 31.00 32.11 3knm h PRO 177 CO 1.08 -0.47 0.00 -1.91 -0.23 0.00 0.00 178.00 176.47 3knm n GLU 178 N -5.45 -0.08 0.00 0.86 4.07 -1.26 -0.82 120.64 117.95 3knm n GLU 178 Ca -0.10 1.49 0.10 0.00 -0.06 0.00 0.00 57.16 58.59 3knm n GLU 178 Cb 0.35 -2.35 -0.10 0.00 -0.06 0.00 0.00 31.44 29.27 3knm n GLU 178 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 3knm n GLU 179 N -5.49 0.15 -2.08 5.31 4.07 -1.04 -5.01 120.64 116.55 3knm n GLU 179 Ca 0.23 -0.04 0.00 0.00 -0.06 0.00 0.00 57.16 57.29 3knm n GLU 179 Cb 0.74 -1.51 0.00 0.00 -0.06 0.00 0.00 31.44 30.61 3knm n GLU 179 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 3knm n ASN 180 N -1.69 -1.85 -4.26 4.31 3.02 0.23 -4.99 115.26 110.03 3knm n ASN 180 Ca 0.02 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.29 3knm n ASN 180 Cb 0.39 -0.46 -0.16 0.00 -0.61 0.00 0.00 39.78 38.94 3knm n ASN 180 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3knm s LEU 181 N -1.39 2.06 -0.12 3.41 2.01 -0.48 -3.18 118.68 120.99 3knm s LEU 181 Ca 0.00 -0.43 0.01 0.00 0.01 0.00 0.00 54.13 53.71 3knm s LEU 181 Cb 0.00 -1.17 -0.01 0.00 0.01 0.00 0.00 46.19 45.02 3knm s LEU 181 CO 0.00 0.27 -0.15 -0.22 1.01 0.00 0.00 176.35 177.26 3knm s LEU 182 N -0.63 2.64 -0.07 1.79 2.96 0.13 -1.19 118.68 124.31 3knm s LEU 182 Ca 0.09 -0.34 -0.02 0.00 -0.22 0.00 0.00 54.13 53.64 3knm s LEU 182 Cb -0.09 -1.58 -0.03 0.00 0.50 0.00 0.00 46.19 44.99 3knm s LEU 182 CO -0.00 0.19 0.02 -0.76 -1.32 0.00 0.00 176.35 174.48 3knm s LEU 183 N 0.23 3.69 0.09 -0.68 1.02 -1.08 -0.48 118.68 121.47 3knm s LEU 183 Ca -0.09 0.16 0.01 0.00 0.02 0.00 0.00 54.13 54.22 3knm s LEU 183 Cb -0.16 -1.93 -0.04 0.00 0.02 0.00 0.00 46.19 44.09 3knm s LEU 183 CO 0.05 0.36 -0.06 -0.69 0.02 0.00 0.00 176.35 176.03 3knm s VAL 184 N -0.96 0.61 -0.94 -1.59 1.01 -0.11 -1.87 120.40 116.54 3knm s VAL 184 Ca 0.15 -1.90 -0.23 0.00 0.00 0.00 0.00 61.98 60.01 3knm s VAL 184 Cb -0.11 -1.63 -0.14 0.00 0.00 0.00 0.00 36.38 34.49 3knm s VAL 184 CO 0.05 -0.89 1.92 0.29 0.00 0.00 0.00 175.10 176.47 3knm n LYS 185 N 0.02 1.42 0.00 2.72 4.76 -0.64 -1.47 118.16 124.97 3knm n LYS 185 Ca -0.13 -2.09 0.00 0.00 -2.87 0.00 0.00 58.31 53.22 3knm n LYS 185 Cb 0.61 -3.32 0.00 0.00 -1.84 0.00 0.00 35.03 30.48 3knm n LYS 185 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3knm n GLY 186 N 5.21 1.43 0.89 0.72 0.00 -1.10 -4.79 105.19 107.55 3knm n GLY 186 Ca 0.47 0.10 -0.11 0.00 0.00 0.00 0.00 46.02 46.49 3knm n GLY 186 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3knm n ALA 187 N 7.51 -2.14 0.00 4.61 0.00 -1.26 -4.37 120.51 124.86 3knm n ALA 187 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3knm n ALA 187 Cb 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 19.45 19.07 3knm n ALA 187 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 3knm n VAL 188 N -0.46 0.00 -1.79 0.00 3.14 -1.26 -4.94 118.33 113.03 3knm n VAL 188 Ca 0.02 0.00 -0.39 0.00 -2.96 0.00 0.00 64.34 61.01 3knm n VAL 188 Cb 0.13 0.00 0.03 0.00 -1.06 0.00 0.00 33.84 32.95 3knm n VAL 188 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 3knm s PRO 189 N 0.00 3.36 0.00 1.45 0.04 -1.26 -4.93 135.00 133.66 3knm s PRO 189 Ca 0.00 2.31 0.00 0.00 0.04 0.00 0.00 61.00 63.35 3knm s PRO 189 Cb 0.00 -2.41 0.00 0.00 0.04 0.00 0.00 34.50 32.13 3knm s PRO 189 CO 0.00 -1.04 0.00 0.41 0.04 0.00 0.00 177.00 176.41 3knm n GLY 190 N 0.67 2.22 3.86 0.56 0.00 -1.25 -4.21 105.19 107.04 3knm n GLY 190 Ca 0.08 -1.92 -0.31 0.00 0.00 0.00 0.00 46.02 43.87 3knm n GLY 190 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3knm s PRO 191 N -2.90 3.91 0.29 1.61 0.04 -1.26 -4.84 135.00 131.84 3knm s PRO 191 Ca 0.00 0.67 -0.30 0.00 0.04 0.00 0.00 61.00 61.41 3knm s PRO 191 Cb 0.00 -2.33 -0.11 0.00 0.04 0.00 0.00 34.50 32.09 3knm s PRO 191 CO 0.00 -0.03 1.60 -0.80 0.04 0.00 0.00 177.00 177.81 3knm s ASN 192 N -2.83 6.37 0.00 6.66 0.02 -1.26 -0.78 114.94 123.11 3knm s ASN 192 Ca 0.54 2.95 0.00 0.00 -1.02 0.00 0.00 52.86 55.33 3knm s ASN 192 Cb -0.10 -2.63 0.00 0.00 0.02 0.00 0.00 41.25 38.54 3knm s ASN 192 CO 0.26 -0.92 0.00 0.61 0.02 0.00 0.00 177.10 177.07 3knm n GLY 193 N 2.28 0.48 3.85 0.66 0.00 0.13 -5.00 105.19 107.59 3knm n GLY 193 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 3knm n GLY 193 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3knm s GLY 194 N -1.05 2.06 0.17 -0.02 0.00 0.04 -4.81 107.32 103.70 3knm s GLY 194 Ca 0.00 0.03 -0.30 0.00 0.00 0.00 0.00 44.72 44.45 3knm s GLY 194 CO 0.00 0.26 1.03 -2.27 0.00 0.00 0.00 173.10 172.12 3knm s LEU 195 N -3.84 4.52 0.01 0.66 2.96 -1.26 -0.48 118.68 121.25 3knm s LEU 195 Ca 0.56 1.97 -0.04 0.00 -0.22 0.00 0.00 54.13 56.40 3knm s LEU 195 Cb -0.10 -3.60 -0.01 0.00 0.50 0.00 0.00 46.19 42.98 3knm s LEU 195 CO 0.29 -0.11 0.06 0.68 -1.32 0.00 0.00 176.35 175.95 3knm s VAL 196 N -0.31 0.09 -0.14 1.68 -7.23 -0.61 -4.39 120.40 109.50 3knm s VAL 196 Ca 0.47 -0.75 0.00 0.00 -1.81 0.00 0.00 61.98 59.89 3knm s VAL 196 Cb -0.27 -0.34 0.02 0.00 0.56 0.00 0.00 36.38 36.36 3knm s VAL 196 CO 0.33 -0.41 -0.11 -0.51 -0.31 0.00 0.00 175.10 174.09 3knm s ILE 197 N -1.34 1.33 -0.14 -0.62 2.07 -0.02 0.14 121.20 122.62 3knm s ILE 197 Ca -0.14 -0.50 -0.07 0.00 -1.41 0.00 0.00 60.65 58.53 3knm s ILE 197 Cb -0.08 -1.30 -0.04 0.00 0.13 0.00 0.00 42.46 41.17 3knm s ILE 197 CO 0.00 0.40 0.10 -0.69 -1.91 0.00 0.00 174.94 172.84 3knm s VAL 198 N 1.58 5.13 0.10 4.00 1.01 0.07 -1.79 120.40 130.50 3knm s VAL 198 Ca 0.05 0.07 0.02 0.00 0.00 0.00 0.00 61.98 62.13 3knm s VAL 198 Cb -0.13 -3.26 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 3knm s VAL 198 CO -0.10 0.55 -0.08 -0.13 0.00 0.00 0.00 175.10 175.35 3knm s ARG 199 N -0.43 0.84 0.69 2.72 0.52 -0.56 -1.22 118.95 121.51 3knm s ARG 199 Ca 0.11 -1.27 -0.17 0.00 -0.52 0.00 0.00 55.73 53.88 3knm s ARG 199 Cb -0.12 -0.32 0.02 0.00 0.52 0.00 0.00 34.95 35.04 3knm s ARG 199 CO 0.02 0.02 1.26 -1.91 0.02 0.00 0.00 175.30 174.70 3knm n GLU 200 N 0.17 0.84 -0.35 3.54 2.13 -0.60 -0.17 120.64 126.21 3knm n GLU 200 Ca -0.13 0.35 0.00 0.00 0.66 0.00 0.00 57.16 58.04 3knm n GLU 200 Cb 0.60 -2.50 0.00 0.00 0.27 0.00 0.00 31.44 29.81 3knm n GLU 200 CO 0.00 0.00 0.00 -2.37 -0.41 0.00 0.00 177.13 174.35 3knm n THR 201 N -2.31 0.00 -4.29 6.31 5.66 -1.08 -4.36 114.28 114.21 3knm n THR 201 Ca 0.15 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.89 3knm n THR 201 Cb 0.49 -1.61 -0.17 0.00 -1.55 0.00 0.00 70.33 67.49 3knm n THR 201 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 3knm s LYS 202 N -2.25 1.70 0.00 1.09 3.01 -1.26 -4.71 119.74 117.32 3knm s LYS 202 Ca 0.00 -0.37 0.00 0.00 -1.01 0.00 0.00 55.97 54.59 3knm s LYS 202 Cb 0.00 -1.54 0.00 0.00 -1.01 0.00 0.00 37.83 35.28 3knm s LYS 202 CO 0.00 -0.10 0.00 1.17 0.51 0.00 0.00 175.35 176.93 3knm n LYS 203 N 4.31 0.00 0.00 1.68 3.00 -1.26 -4.87 118.16 121.02 3knm n LYS 203 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.12 3knm n LYS 203 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.54 3knm n LYS 203 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3knm n ALA 204 N 0.00 0.81 0.00 3.14 0.00 -1.26 -5.27 120.51 117.93 3knm n ALA 204 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3knm n ALA 204 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3knm n ALA 204 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50