#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kxf s SER 2 N 0.00 6.88 0.35 1.61 0.15 -1.26 -4.59 113.70 116.83 3kxf s SER 2 Ca 0.00 1.04 0.04 0.00 0.70 0.00 0.00 55.95 57.73 3kxf s SER 2 Cb 0.00 -2.29 -0.04 0.00 -1.71 0.00 0.00 66.02 61.98 3kxf s SER 2 CO 0.00 0.26 0.13 -1.00 1.20 0.00 0.00 173.24 173.83 3kxf s HIS 3 N -0.82 1.74 -0.02 3.44 4.02 -1.14 -5.01 115.29 117.50 3kxf s HIS 3 Ca 0.26 -1.26 -0.22 0.00 1.02 0.00 0.00 55.06 54.86 3kxf s HIS 3 Cb -0.17 -1.06 0.04 0.00 -1.02 0.00 0.00 32.58 30.37 3kxf s HIS 3 CO 0.15 -0.33 0.47 -1.54 1.02 0.00 0.00 174.74 174.50 3kxf s SER 4 N -3.49 -0.39 -0.06 1.40 1.04 -1.26 -1.61 113.70 109.33 3kxf s SER 4 Ca 0.31 0.33 0.03 0.00 0.48 0.00 0.00 55.95 57.10 3kxf s SER 4 Cb 0.05 0.41 -0.02 0.00 0.10 0.00 0.00 66.02 66.55 3kxf s SER 4 CO 0.16 -0.53 -0.15 -0.32 0.98 0.00 0.00 173.24 173.38 3kxf s MET 5 N -1.36 2.65 0.05 4.02 1.75 -0.96 -1.46 119.30 124.00 3kxf s MET 5 Ca -0.12 -0.71 0.04 0.00 -1.25 0.00 0.00 55.69 53.65 3kxf s MET 5 Cb -0.03 -2.41 -0.02 0.00 2.84 0.00 0.00 34.83 35.21 3kxf s MET 5 CO 0.06 0.54 -0.12 1.03 -0.65 0.00 0.00 175.02 175.88 3kxf s ARG 6 N -0.51 0.76 -0.02 4.11 1.81 -0.01 -2.21 118.95 122.88 3kxf s ARG 6 Ca 0.07 -0.77 0.06 0.00 -1.72 0.00 0.00 55.73 53.37 3kxf s ARG 6 Cb -0.12 -0.72 -0.01 0.00 -0.45 0.00 0.00 34.95 33.65 3kxf s ARG 6 CO 0.01 0.17 -0.20 0.71 -0.68 0.00 0.00 175.30 175.31 3kxf s TYR 7 N -1.04 1.83 -0.31 -0.53 1.51 0.11 -0.16 117.35 118.76 3kxf s TYR 7 Ca -0.02 -0.38 0.03 0.00 -1.01 0.00 0.00 57.07 55.69 3kxf s TYR 7 Cb -0.09 -1.19 0.09 0.00 -0.11 0.00 0.00 41.96 40.66 3kxf s TYR 7 CO 0.01 -0.06 0.00 -0.06 -1.11 0.00 0.00 175.55 174.34 3kxf s PHE 8 N -0.39 3.31 -0.18 2.71 0.40 0.94 -2.50 117.98 122.26 3kxf s PHE 8 Ca 0.06 -2.58 -0.18 0.00 -0.60 0.00 0.00 56.93 53.62 3kxf s PHE 8 Cb -0.09 -2.42 -0.03 0.00 0.51 0.00 0.00 43.02 40.99 3kxf s PHE 8 CO -0.00 -0.91 0.50 0.71 0.70 0.00 0.00 175.22 176.22 3kxf s TYR 9 N 1.07 3.40 -0.21 0.36 1.51 0.88 -1.82 117.35 122.55 3kxf s TYR 9 Ca 0.04 0.78 0.01 0.00 -1.01 0.00 0.00 57.07 56.89 3kxf s TYR 9 Cb -0.19 -2.63 0.04 0.00 -0.11 0.00 0.00 41.96 39.07 3kxf s TYR 9 CO -0.09 -0.04 -0.11 0.99 -1.11 0.00 0.00 175.55 175.19 3kxf s THR 10 N 1.41 1.74 -0.53 -0.71 2.01 0.59 -0.32 115.64 119.83 3kxf s THR 10 Ca 0.24 -1.08 -0.03 0.00 0.31 0.00 0.00 61.69 61.13 3kxf s THR 10 Cb -0.15 -1.80 0.14 0.00 0.01 0.00 0.00 72.50 70.70 3kxf s THR 10 CO 0.10 0.17 0.34 0.00 -0.69 0.00 0.00 174.62 174.54 3kxf s ALA 11 N 1.35 3.40 0.19 7.40 0.00 0.08 -1.62 121.76 132.56 3kxf s ALA 11 Ca -0.02 -2.97 -0.06 0.00 0.00 0.00 0.00 51.96 48.92 3kxf s ALA 11 Cb -0.16 -2.55 -0.06 0.00 0.00 0.00 0.00 23.12 20.35 3kxf s ALA 11 CO -0.08 -1.98 0.45 1.41 0.00 0.00 0.00 175.76 175.56 3kxf s MET 12 N 0.42 3.66 0.17 0.00 1.75 -0.82 -1.41 119.30 123.07 3kxf s MET 12 Ca 0.13 -0.00 0.07 0.00 -1.25 0.00 0.00 55.69 54.64 3kxf s MET 12 Cb -0.21 -2.77 -0.04 0.00 2.84 0.00 0.00 34.83 34.65 3kxf s MET 12 CO -0.04 0.39 0.00 -1.54 -0.65 0.00 0.00 175.02 173.18 3kxf s SER 13 N -2.58 4.78 -0.28 1.11 1.04 -0.40 -2.05 113.70 115.32 3kxf s SER 13 Ca 0.43 -0.39 0.01 0.00 0.48 0.00 0.00 55.95 56.48 3kxf s SER 13 Cb -0.12 -1.02 0.06 0.00 0.10 0.00 0.00 66.02 65.04 3kxf s SER 13 CO 0.25 0.09 -0.06 -0.13 0.98 0.00 0.00 173.24 174.37 3kxf s ARG 14 N -2.94 2.29 0.22 4.02 0.52 -1.26 -4.34 118.95 117.45 3kxf s ARG 14 Ca 0.27 -1.34 -0.08 0.00 -0.52 0.00 0.00 55.73 54.07 3kxf s ARG 14 Cb -0.09 -3.01 0.19 0.00 0.52 0.00 0.00 34.95 32.55 3kxf s ARG 14 CO 0.19 -0.60 1.85 -1.00 0.02 0.00 0.00 175.30 175.76 3kxf h PRO 15 N 7.85 1.16 0.00 3.54 0.13 -1.82 -3.45 132.00 139.42 3kxf h PRO 15 Ca -0.19 -0.12 -0.18 0.00 -0.87 0.00 0.00 66.00 64.63 3kxf h PRO 15 Cb 1.05 -0.23 0.08 0.00 0.13 0.00 0.00 31.00 32.03 3kxf h PRO 15 CO 0.49 0.84 0.12 0.41 -0.23 0.00 0.00 178.00 179.63 3kxf n GLY 16 N -1.16 -1.98 3.74 1.56 0.00 -1.26 -4.99 105.19 101.10 3kxf n GLY 16 Ca 0.09 -1.57 -0.41 0.00 0.00 0.00 0.00 46.02 44.12 3kxf n GLY 16 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3kxf s ARG 17 N -4.19 4.46 0.00 1.61 3.52 -1.26 -4.92 118.95 118.17 3kxf s ARG 17 Ca 0.32 1.93 0.00 0.00 -0.13 0.00 0.00 55.73 57.85 3kxf s ARG 17 Cb -0.02 -3.23 0.00 0.00 -1.56 0.00 0.00 34.95 30.14 3kxf s ARG 17 CO 0.24 -0.14 0.00 0.41 -0.81 0.00 0.00 175.30 175.00 3kxf n GLY 18 N 2.23 2.62 3.77 8.12 0.00 -1.26 -5.07 105.19 115.60 3kxf n GLY 18 Ca 0.05 -2.10 -0.37 0.00 0.00 0.00 0.00 46.02 43.60 3kxf n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kxf s GLU 19 N -1.98 3.77 0.53 1.61 2.02 -1.26 -4.82 118.70 118.56 3kxf s GLU 19 Ca 0.00 1.78 -0.22 0.00 0.02 0.00 0.00 54.97 56.56 3kxf s GLU 19 Cb 0.00 -2.42 -0.06 0.00 0.10 0.00 0.00 34.13 31.75 3kxf s GLU 19 CO 0.00 -0.54 1.24 -2.30 0.02 0.00 0.00 175.26 173.68 3kxf n PRO 20 N -0.45 1.54 -3.73 0.39 -0.02 -1.26 -4.80 135.00 126.67 3kxf n PRO 20 Ca 0.07 0.57 -0.37 0.00 -2.02 0.00 0.00 63.50 61.74 3kxf n PRO 20 Cb 0.48 -2.43 -0.06 0.00 -0.02 0.00 0.00 33.50 31.47 3kxf n PRO 20 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3kxf s ARG 21 N -2.71 3.69 -0.17 -0.52 3.52 -0.87 -4.91 118.95 116.99 3kxf s ARG 21 Ca 0.70 0.05 0.01 0.00 -0.13 0.00 0.00 55.73 56.36 3kxf s ARG 21 Cb -0.44 -3.23 0.03 0.00 -1.56 0.00 0.00 34.95 29.75 3kxf s ARG 21 CO 0.50 0.68 -0.14 0.12 -0.81 0.00 0.00 175.30 175.66 3kxf s PHE 22 N -0.84 2.34 -0.05 5.12 5.36 -1.26 -1.94 117.98 126.70 3kxf s PHE 22 Ca 0.17 -1.41 0.06 0.00 -0.96 0.00 0.00 56.93 54.79 3kxf s PHE 22 Cb -0.13 -1.65 -0.02 0.00 -0.34 0.00 0.00 43.02 40.88 3kxf s PHE 22 CO 0.07 -0.71 -0.23 0.42 -1.46 0.00 0.00 175.22 173.30 3kxf s ILE 23 N 1.43 2.29 0.05 3.12 1.01 -0.64 0.22 121.20 128.67 3kxf s ILE 23 Ca 0.03 -0.99 0.05 0.00 0.00 0.00 0.00 60.65 59.74 3kxf s ILE 23 Cb -0.14 -1.84 -0.02 0.00 0.01 0.00 0.00 42.46 40.46 3kxf s ILE 23 CO -0.10 0.57 -0.15 0.00 0.00 0.00 0.00 174.94 175.26 3kxf s ALA 24 N -0.34 1.27 0.05 9.38 0.00 0.33 -0.30 121.76 132.16 3kxf s ALA 24 Ca 0.02 -0.89 0.01 0.00 0.00 0.00 0.00 51.96 51.10 3kxf s ALA 24 Cb -0.12 -0.19 -0.03 0.00 0.00 0.00 0.00 23.12 22.77 3kxf s ALA 24 CO 0.02 0.24 -0.06 0.14 0.00 0.00 0.00 175.76 176.10 3kxf s VAL 25 N -0.91 0.46 -0.03 0.00 -7.23 -0.76 -1.16 120.40 110.78 3kxf s VAL 25 Ca 0.02 -1.38 0.03 0.00 -1.81 0.00 0.00 61.98 58.85 3kxf s VAL 25 Cb -0.08 -0.96 -0.00 0.00 0.56 0.00 0.00 36.38 35.90 3kxf s VAL 25 CO 0.02 -0.62 -0.13 -0.83 -0.31 0.00 0.00 175.10 173.22 3kxf s GLY 26 N -2.14 0.73 0.01 2.32 0.00 -0.64 -0.04 107.32 107.57 3kxf s GLY 26 Ca -0.03 -0.52 0.06 0.00 0.00 0.00 0.00 44.72 44.23 3kxf s GLY 26 CO -0.03 -0.24 -0.19 -0.19 0.00 0.00 0.00 173.10 172.45 3kxf s TYR 27 N 0.09 1.70 -0.24 1.90 1.51 0.78 -1.36 117.35 121.73 3kxf s TYR 27 Ca -0.03 -0.34 0.02 0.00 -1.01 0.00 0.00 57.07 55.71 3kxf s TYR 27 Cb -0.10 -1.06 0.05 0.00 -0.11 0.00 0.00 41.96 40.74 3kxf s TYR 27 CO 0.01 0.02 -0.12 0.08 -1.11 0.00 0.00 175.55 174.43 3kxf s VAL 28 N -0.62 2.25 0.00 0.71 1.01 0.69 -0.83 120.40 123.61 3kxf s VAL 28 Ca 0.07 -1.40 0.00 0.00 0.00 0.00 0.00 61.98 60.65 3kxf s VAL 28 Cb -0.08 -2.22 0.00 0.00 0.00 0.00 0.00 36.38 34.08 3kxf s VAL 28 CO 0.00 0.13 0.00 0.47 0.00 0.00 0.00 175.10 175.70 3kxf n ASP 29 N 4.51 0.00 -1.78 3.32 8.00 -0.53 -1.47 116.55 128.59 3kxf n ASP 29 Ca -0.16 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.19 3kxf n ASP 29 Cb 0.44 0.00 0.10 0.00 -0.02 0.00 0.00 41.12 41.64 3kxf n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3kxf n ASP 30 N 2.50 4.08 -3.88 -2.24 8.00 -1.26 -4.83 116.55 118.92 3kxf n ASP 30 Ca 0.00 -3.01 -0.29 0.00 0.71 0.00 0.00 54.79 52.20 3kxf n ASP 30 Cb 0.00 -0.77 -0.16 0.00 -0.02 0.00 0.00 41.12 40.17 3kxf n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3kxf s THR 31 N -2.14 1.21 0.60 -3.53 2.01 -0.54 -4.98 115.64 108.27 3kxf s THR 31 Ca 0.35 -0.92 -0.17 0.00 0.31 0.00 0.00 61.69 61.25 3kxf s THR 31 Cb 0.29 -1.50 -0.03 0.00 0.01 0.00 0.00 72.50 71.27 3kxf s THR 31 CO 0.05 -0.06 1.13 -1.58 -0.69 0.00 0.00 174.62 173.47 3kxf s GLN 32 N 1.56 3.06 0.00 4.92 0.74 -1.26 -0.23 119.66 128.44 3kxf s GLN 32 Ca -0.03 1.53 0.00 0.00 0.05 0.00 0.00 55.36 56.91 3kxf s GLN 32 Cb -0.18 -1.97 0.00 0.00 1.10 0.00 0.00 33.01 31.96 3kxf s GLN 32 CO -0.07 -1.07 0.00 1.97 -0.55 0.00 0.00 175.29 175.57 3kxf n PHE 33 N -1.85 0.00 -3.73 1.67 -1.74 -0.46 -4.43 117.46 106.91 3kxf n PHE 33 Ca 0.11 0.00 -0.14 0.00 -0.56 0.00 0.00 57.45 56.87 3kxf n PHE 33 Cb 0.51 0.00 -0.09 0.00 1.52 0.00 0.00 39.48 41.42 3kxf n PHE 33 CO 0.00 0.00 0.00 0.54 -0.56 0.00 0.00 176.76 176.74 3kxf s VAL 34 N 0.00 0.03 0.04 1.97 0.11 -1.24 -0.64 120.40 120.66 3kxf s VAL 34 Ca 0.00 -0.23 -0.01 0.00 -2.93 0.00 0.00 61.98 58.82 3kxf s VAL 34 Cb 0.00 -0.61 -0.03 0.00 -1.53 0.00 0.00 36.38 34.21 3kxf s VAL 34 CO 0.00 -0.13 -0.03 0.00 -3.33 0.00 0.00 175.10 171.62 3kxf s ARG 35 N -0.63 0.46 -0.15 1.54 1.70 -0.72 -1.63 118.95 119.52 3kxf s ARG 35 Ca -0.07 -0.91 -0.11 0.00 -0.47 0.00 0.00 55.73 54.17 3kxf s ARG 35 Cb -0.04 0.16 0.05 0.00 -0.57 0.00 0.00 34.95 34.55 3kxf s ARG 35 CO 0.03 -0.08 0.38 0.12 -1.08 0.00 0.00 175.30 174.66 3kxf s PHE 36 N -2.68 -0.48 -0.07 5.89 2.19 -0.30 -0.77 117.98 121.75 3kxf s PHE 36 Ca -0.05 1.10 -0.02 0.00 0.33 0.00 0.00 56.93 58.29 3kxf s PHE 36 Cb -0.01 0.18 0.03 0.00 -1.31 0.00 0.00 43.02 41.91 3kxf s PHE 36 CO -0.05 -0.26 0.04 0.34 1.83 0.00 0.00 175.22 177.12 3kxf s ASP 37 N 0.79 1.51 0.41 6.13 -1.08 -1.26 -0.51 116.67 122.67 3kxf s ASP 37 Ca -0.05 -0.10 0.19 0.00 -0.52 0.00 0.00 52.55 52.08 3kxf s ASP 37 Cb -0.06 -0.28 0.90 0.00 -1.46 0.00 0.00 42.92 42.03 3kxf s ASP 37 CO -0.06 -0.24 1.86 0.77 0.52 0.00 0.00 175.17 178.01 3kxf h SER 38 N 8.39 0.00 -0.86 -0.34 4.64 -0.62 -3.26 113.55 121.50 3kxf h SER 38 Ca -0.15 0.00 0.13 0.00 -0.47 0.00 0.00 61.79 61.30 3kxf h SER 38 Cb 1.12 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.13 3kxf h SER 38 CO 0.21 0.30 0.47 0.44 -0.87 0.00 0.00 176.83 177.39 3kxf h ASP 39 N 0.00 0.63 -3.19 4.97 5.19 -1.91 -3.45 116.42 118.66 3kxf h ASP 39 Ca -0.00 0.07 -0.54 0.00 -0.62 0.00 0.00 57.03 55.94 3kxf h ASP 39 Cb 0.66 -0.04 0.22 0.00 0.18 0.00 0.00 39.33 40.35 3kxf h ASP 39 CO 0.04 0.31 -0.76 0.00 -3.12 0.00 0.00 179.24 175.70 3kxf n ALA 40 N -2.40 -3.00 0.25 3.45 0.00 -1.23 -4.94 120.51 112.65 3kxf n ALA 40 Ca 0.16 -0.61 -0.16 0.00 0.00 0.00 0.00 53.44 52.83 3kxf n ALA 40 Cb 0.38 -1.70 -0.08 0.00 0.00 0.00 0.00 19.45 18.04 3kxf n ALA 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kxf h ALA 41 N -1.44 -0.61 -3.08 0.00 0.00 -1.92 -3.35 119.26 108.86 3kxf h ALA 41 Ca -0.44 -0.13 -0.62 0.00 0.00 0.00 0.00 54.91 53.73 3kxf h ALA 41 Cb 1.29 0.26 -0.41 0.00 0.00 0.00 0.00 17.79 18.93 3kxf h ALA 41 CO 0.33 -0.85 -0.69 -1.54 0.00 0.00 0.00 179.25 176.50 3kxf s SER 42 N -4.66 3.90 0.15 0.00 1.04 -1.26 -5.11 113.70 107.77 3kxf s SER 42 Ca -0.16 -2.99 -0.33 0.00 0.48 0.00 0.00 55.95 52.94 3kxf s SER 42 Cb 0.04 -1.28 -0.13 0.00 0.10 0.00 0.00 66.02 64.75 3kxf s SER 42 CO 0.63 -0.22 1.65 -2.65 0.98 0.00 0.00 173.24 173.63 3kxf n PRO 43 N 3.08 2.33 -3.85 4.02 -0.02 -1.26 -5.01 135.00 134.30 3kxf n PRO 43 Ca 0.11 0.84 -0.12 0.00 -2.02 0.00 0.00 63.50 62.31 3kxf n PRO 43 Cb 0.35 -2.64 -0.14 0.00 -0.02 0.00 0.00 33.50 31.05 3kxf n PRO 43 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3kxf s ARG 44 N 1.30 0.03 0.24 -0.52 0.52 -1.26 -5.05 118.95 114.21 3kxf s ARG 44 Ca 0.79 0.07 -0.31 0.00 -0.52 0.00 0.00 55.73 55.76 3kxf s ARG 44 Cb -0.63 -0.01 -0.12 0.00 0.52 0.00 0.00 34.95 34.70 3kxf s ARG 44 CO 0.38 -0.03 1.64 2.41 0.02 0.00 0.00 175.30 179.72 3kxf n THR 45 N 3.21 0.47 -4.59 0.02 -1.04 -1.26 -4.60 114.28 106.50 3kxf n THR 45 Ca -0.14 -0.12 -0.26 0.00 -2.04 0.00 0.00 64.05 61.49 3kxf n THR 45 Cb 0.59 -1.91 -0.14 0.00 -1.82 0.00 0.00 70.33 67.05 3kxf n THR 45 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 3kxf s GLU 46 N 0.37 1.37 0.36 -2.82 2.02 0.05 -4.99 118.70 115.06 3kxf s GLU 46 Ca 0.71 -1.00 -0.22 0.00 0.02 0.00 0.00 54.97 54.47 3kxf s GLU 46 Cb -0.53 -1.52 -0.10 0.00 0.10 0.00 0.00 34.13 32.08 3kxf s GLU 46 CO 0.40 0.38 0.90 -1.25 0.02 0.00 0.00 175.26 175.71 3kxf s PRO 47 N -1.34 4.32 -0.02 0.39 0.04 -1.26 -1.76 135.00 135.36 3kxf s PRO 47 Ca 0.08 1.10 0.16 0.00 0.04 0.00 0.00 61.00 62.38 3kxf s PRO 47 Cb -0.09 -2.48 0.29 0.00 0.04 0.00 0.00 34.50 32.26 3kxf s PRO 47 CO 0.02 0.14 1.12 0.54 0.04 0.00 0.00 177.00 178.86 3kxf n ARG 48 N -0.09 0.19 -3.60 4.56 5.12 0.18 -4.89 116.66 118.14 3kxf n ARG 48 Ca 0.04 -1.82 -0.16 0.00 -1.93 0.00 0.00 57.85 53.98 3kxf n ARG 48 Cb 0.52 -0.35 -0.07 0.00 -1.16 0.00 0.00 32.46 31.40 3kxf n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3kxf s ALA 49 N -0.39 -1.60 0.24 7.54 0.00 -1.25 -4.37 121.76 121.92 3kxf s ALA 49 Ca 0.24 1.41 -0.07 0.00 0.00 0.00 0.00 51.96 53.54 3kxf s ALA 49 Cb 0.26 -0.40 0.24 0.00 0.00 0.00 0.00 23.12 23.22 3kxf s ALA 49 CO -0.10 -0.33 1.91 -1.35 0.00 0.00 0.00 175.76 175.89 3kxf h PRO 50 N 3.90 1.23 -0.17 0.00 0.11 -1.96 -3.09 132.00 132.02 3kxf h PRO 50 Ca -0.28 -0.07 -0.11 0.00 0.11 0.00 0.00 66.00 65.65 3kxf h PRO 50 Cb 1.15 -0.28 -0.01 0.00 0.11 0.00 0.00 31.00 31.97 3kxf h PRO 50 CO 0.28 0.81 -0.38 0.11 -0.21 0.00 0.00 178.00 178.61 3kxf h TRP 51 N 1.26 0.42 0.00 0.65 5.08 -1.98 -2.90 115.95 118.49 3kxf h TRP 51 Ca 0.35 -0.11 -0.00 0.00 1.08 0.00 0.00 58.89 60.20 3kxf h TRP 51 Cb -0.13 -0.10 -0.00 0.00 -3.00 0.00 0.00 29.16 25.94 3kxf h TRP 51 CO -0.01 0.70 -0.01 0.97 -1.28 0.00 0.00 178.44 178.82 3kxf h ILE 52 N 0.31 0.02 0.00 0.12 6.09 -1.89 -2.98 117.51 119.17 3kxf h ILE 52 Ca 0.03 -0.53 0.00 0.00 -1.37 0.00 0.00 64.86 62.99 3kxf h ILE 52 Cb 0.81 1.52 0.00 0.00 0.47 0.00 0.00 36.82 39.62 3kxf h ILE 52 CO 0.07 0.01 0.00 -0.33 -3.07 0.00 0.00 178.15 174.82 3kxf h GLU 53 N 0.00 0.00 0.00 2.19 5.08 -1.57 -2.72 114.58 117.56 3kxf h GLU 53 Ca -0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 3kxf h GLU 53 Cb 0.52 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 3kxf h GLU 53 CO 0.00 0.00 -0.14 1.96 -1.00 0.00 0.00 179.01 179.84 3kxf h GLN 54 N 0.00 0.00 -6.93 2.33 4.20 -1.71 -3.45 115.11 109.55 3kxf h GLN 54 Ca 0.00 0.00 -0.50 0.00 0.06 0.00 0.00 58.65 58.21 3kxf h GLN 54 Cb 0.23 0.00 0.04 0.00 0.30 0.00 0.00 27.48 28.05 3kxf h GLN 54 CO 0.00 0.14 0.48 -1.21 -0.67 0.00 0.00 178.83 177.56 3kxf s GLU 55 N -4.73 4.16 1.13 1.46 0.41 -1.03 -5.02 118.70 115.07 3kxf s GLU 55 Ca -0.04 1.75 -0.15 0.00 -0.41 0.00 0.00 54.97 56.12 3kxf s GLU 55 Cb 0.16 -2.71 0.25 0.00 -1.78 0.00 0.00 34.13 30.05 3kxf s GLU 55 CO 0.69 -0.20 1.07 0.20 -0.49 0.00 0.00 175.26 176.53 3kxf s GLY 56 N -1.20 1.55 0.32 -1.39 0.00 -1.26 -4.90 107.32 100.43 3kxf s GLY 56 Ca 0.55 -0.56 0.04 0.00 0.00 0.00 0.00 44.72 44.75 3kxf s GLY 56 CO 0.36 0.19 1.82 -2.55 0.00 0.00 0.00 173.10 172.93 3kxf h PRO 57 N -2.37 0.52 -0.95 2.90 0.11 -1.99 -2.45 132.00 127.78 3kxf h PRO 57 Ca -0.52 -0.14 0.06 0.00 0.11 0.00 0.00 66.00 65.51 3kxf h PRO 57 Cb 1.32 -0.06 -0.06 0.00 0.11 0.00 0.00 31.00 32.31 3kxf h PRO 57 CO 0.47 0.60 0.62 1.49 -0.21 0.00 0.00 178.00 180.98 3kxf h GLU 58 N 0.49 1.08 -0.33 1.05 4.81 -1.98 0.28 114.58 119.98 3kxf h GLU 58 Ca 0.10 -0.06 0.07 0.00 -0.13 0.00 0.00 59.36 59.33 3kxf h GLU 58 Cb 0.44 -0.24 -0.06 0.00 0.63 0.00 0.00 28.75 29.51 3kxf h GLU 58 CO 0.02 0.71 -0.08 -0.92 -0.73 0.00 0.00 179.01 178.01 3kxf h TYR 59 N 1.11 -0.17 -0.07 0.92 3.20 -1.79 0.84 116.97 121.01 3kxf h TYR 59 Ca 0.41 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 62.21 3kxf h TYR 59 Cb 0.16 0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.55 3kxf h TYR 59 CO -0.00 -0.14 -0.41 -1.49 -1.64 0.00 0.00 178.16 174.48 3kxf h TRP 60 N 0.00 0.17 -0.07 -3.82 4.06 -1.10 0.68 115.95 115.87 3kxf h TRP 60 Ca 0.16 -0.05 -0.01 0.00 2.06 0.00 0.00 58.89 61.05 3kxf h TRP 60 Cb 0.24 -0.04 -0.00 0.00 -1.00 0.00 0.00 29.16 28.36 3kxf h TRP 60 CO -0.31 0.54 -0.00 -0.44 -3.56 0.00 0.00 178.44 174.67 3kxf h ASP 61 N 0.13 0.13 -0.81 -3.49 3.32 0.18 -1.48 116.42 114.40 3kxf h ASP 61 Ca 0.01 -0.32 0.09 0.00 0.02 0.00 0.00 57.03 56.83 3kxf h ASP 61 Cb 0.78 -0.04 -0.07 0.00 0.22 0.00 0.00 39.33 40.23 3kxf h ASP 61 CO 0.06 0.42 0.46 -0.09 -1.72 0.00 0.00 179.24 178.37 3kxf h ARG 62 N -0.16 0.74 0.29 3.56 2.43 0.12 -1.65 114.38 119.72 3kxf h ARG 62 Ca 0.02 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 3kxf h ARG 62 Cb 0.36 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 3kxf h ARG 62 CO 0.00 0.49 -0.14 -0.91 -1.51 0.00 0.00 179.97 177.91 3kxf h ASN 63 N 0.77 -0.33 -0.08 -3.80 -0.26 -0.85 -2.78 115.58 108.24 3kxf h ASN 63 Ca 0.39 -0.16 0.02 0.00 -0.56 0.00 0.00 56.30 55.99 3kxf h ASN 63 Cb 0.36 0.09 -0.02 0.00 -1.06 0.00 0.00 38.32 37.69 3kxf h ASN 63 CO -0.25 -0.02 -0.03 0.74 -1.06 0.00 0.00 177.43 176.81 3kxf h THR 64 N -0.67 0.89 -0.81 2.81 2.02 -0.96 -0.86 112.91 115.32 3kxf h THR 64 Ca -0.04 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.27 3kxf h THR 64 Cb 0.47 0.89 -0.09 0.00 -1.74 0.00 0.00 68.15 67.68 3kxf h THR 64 CO 0.07 0.00 0.42 0.00 0.37 0.00 0.00 175.52 176.38 3kxf h ALA 65 N 1.05 1.19 0.00 6.16 0.00 -1.41 0.28 119.26 126.54 3kxf h ALA 65 Ca 0.04 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3kxf h ALA 65 Cb 0.09 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3kxf h ALA 65 CO -0.10 -0.05 -0.00 0.82 0.00 0.00 0.00 179.25 179.92 3kxf h ILE 66 N 0.64 1.01 -0.19 0.00 2.04 -0.97 -2.56 117.51 117.48 3kxf h ILE 66 Ca 0.43 -0.05 -0.17 0.00 1.00 0.00 0.00 64.86 66.07 3kxf h ILE 66 Cb 0.54 1.05 -0.00 0.00 -0.74 0.00 0.00 36.82 37.67 3kxf h ILE 66 CO -0.33 0.01 -0.57 -0.26 0.00 0.00 0.00 178.15 177.01 3kxf h PHE 67 N -0.03 0.74 -0.99 1.37 0.04 -0.55 -2.40 116.94 115.13 3kxf h PHE 67 Ca -0.00 -0.27 0.05 0.00 2.80 0.00 0.00 57.97 60.55 3kxf h PHE 67 Cb 0.03 -0.14 -0.06 0.00 2.20 0.00 0.00 35.95 37.98 3kxf h PHE 67 CO -0.07 1.02 0.64 0.87 -0.60 0.00 0.00 178.31 180.17 3kxf h LYS 68 N 0.45 1.18 -0.00 1.51 1.57 -0.40 0.35 116.57 121.23 3kxf h LYS 68 Ca 0.00 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3kxf h LYS 68 Cb 1.12 -0.27 -0.00 0.00 0.08 0.00 0.00 32.23 33.17 3kxf h LYS 68 CO 0.11 0.78 -0.00 0.00 -0.57 0.00 0.00 179.45 179.77 3kxf h ALA 69 N 1.42 0.00 -0.99 3.86 0.00 -1.37 -2.76 119.26 119.42 3kxf h ALA 69 Ca 0.40 -0.17 0.15 0.00 0.00 0.00 0.00 54.91 55.29 3kxf h ALA 69 Cb 0.06 -0.00 -0.09 0.00 0.00 0.00 0.00 17.79 17.76 3kxf h ALA 69 CO -0.14 -0.33 0.62 -0.91 0.00 0.00 0.00 179.25 178.49 3kxf h ASN 70 N -0.34 0.84 -0.34 0.00 2.35 -0.90 0.44 115.58 117.64 3kxf h ASN 70 Ca 0.00 0.06 0.03 0.00 -0.55 0.00 0.00 56.30 55.84 3kxf h ASN 70 Cb 0.35 -0.10 -0.03 0.00 0.05 0.00 0.00 38.32 38.58 3kxf h ASN 70 CO 0.00 0.40 0.15 0.74 -1.65 0.00 0.00 177.43 177.07 3kxf h THR 71 N 0.88 0.96 -0.01 2.81 2.02 -0.25 -0.64 112.91 118.66 3kxf h THR 71 Ca 0.52 -0.11 -0.00 0.00 0.77 0.00 0.00 66.41 67.59 3kxf h THR 71 Cb 0.66 0.61 -0.00 0.00 -1.74 0.00 0.00 68.15 67.69 3kxf h THR 71 CO -0.29 0.06 -0.01 1.56 0.37 0.00 0.00 175.52 177.21 3kxf h GLN 72 N 0.32 0.02 0.00 6.66 1.08 -0.75 -2.62 115.11 119.82 3kxf h GLN 72 Ca 0.15 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.33 3kxf h GLN 72 Cb 0.08 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.51 3kxf h GLN 72 CO -0.12 0.46 0.00 0.25 -0.95 0.00 0.00 178.83 178.47 3kxf n THR 73 N -4.86 0.09 -0.07 -0.54 -2.24 0.14 -1.92 114.28 104.87 3kxf n THR 73 Ca -0.08 0.02 -0.05 0.00 -2.27 0.00 0.00 64.05 61.67 3kxf n THR 73 Cb 0.23 -0.74 -0.16 0.00 -2.10 0.00 0.00 70.33 67.57 3kxf n THR 73 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3kxf n TYR 74 N -1.05 0.06 -0.07 4.78 4.02 -0.25 -3.53 117.16 121.11 3kxf n TYR 74 Ca 0.13 0.02 -0.07 0.00 -0.01 0.00 0.00 57.90 57.96 3kxf n TYR 74 Cb 0.08 -0.89 -0.01 0.00 -0.02 0.00 0.00 39.34 38.49 3kxf n TYR 74 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3kxf h ARG 75 N 0.00 0.04 -0.39 -0.72 3.08 -1.00 -0.09 114.38 115.29 3kxf h ARG 75 Ca -0.41 -0.00 0.02 0.00 0.07 0.00 0.00 59.98 59.66 3kxf h ARG 75 Cb 1.94 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 31.95 3kxf h ARG 75 CO 0.02 0.03 0.23 1.49 -1.07 0.00 0.00 179.97 180.67 3kxf h GLU 76 N 0.04 0.45 -0.95 0.04 4.81 -1.73 -2.91 114.58 114.34 3kxf h GLU 76 Ca 0.13 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.36 3kxf h GLU 76 Cb 0.19 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.41 3kxf h GLU 76 CO -0.25 0.30 0.62 0.77 -0.73 0.00 0.00 179.01 179.72 3kxf h SER 77 N 0.46 1.06 -0.67 1.04 0.02 -1.48 -1.11 113.55 112.87 3kxf h SER 77 Ca 0.16 -0.02 0.01 0.00 -0.84 0.00 0.00 61.79 61.09 3kxf h SER 77 Cb 0.01 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.26 3kxf h SER 77 CO -0.08 0.75 0.44 -0.07 -1.14 0.00 0.00 176.83 176.74 3kxf h LEU 78 N 1.24 0.78 0.50 5.07 3.38 -0.96 -1.85 115.31 123.47 3kxf h LEU 78 Ca 0.36 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.29 3kxf h LEU 78 Cb -0.08 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 3kxf h LEU 78 CO -0.10 0.57 -0.47 0.03 0.09 0.00 0.00 178.44 178.56 3kxf h ARG 79 N 0.91 -0.93 -1.01 1.13 3.08 -1.09 0.07 114.38 116.54 3kxf h ARG 79 Ca 0.25 0.06 0.12 0.00 0.07 0.00 0.00 59.98 60.48 3kxf h ARG 79 Cb -0.10 0.21 -0.09 0.00 0.08 0.00 0.00 29.97 30.08 3kxf h ARG 79 CO -0.05 -0.62 0.63 -0.91 -1.07 0.00 0.00 179.97 177.95 3kxf h ASN 80 N -0.97 0.93 -0.21 7.04 -0.26 -1.11 0.18 115.58 121.17 3kxf h ASN 80 Ca -0.06 0.05 -0.10 0.00 -0.56 0.00 0.00 56.30 55.63 3kxf h ASN 80 Cb 0.84 -0.14 -0.00 0.00 -1.06 0.00 0.00 38.32 37.96 3kxf h ASN 80 CO -0.05 0.49 -0.27 -0.07 -1.06 0.00 0.00 177.43 176.48 3kxf h LEU 81 N 1.00 0.60 -2.07 1.61 4.07 -1.22 0.21 115.31 119.50 3kxf h LEU 81 Ca 0.50 -0.50 0.07 0.00 0.08 0.00 0.00 57.88 58.03 3kxf h LEU 81 Cb 0.50 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 42.06 3kxf h LEU 81 CO -0.27 0.98 0.20 -0.09 -1.08 0.00 0.00 178.44 178.18 3kxf h ARG 82 N 0.23 0.00 0.12 1.13 2.43 0.10 -1.89 114.38 116.49 3kxf h ARG 82 Ca 0.03 0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 59.02 3kxf h ARG 82 Cb 0.84 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.40 3kxf h ARG 82 CO 0.06 0.00 -0.81 0.78 -1.51 0.00 0.00 179.97 178.49 3kxf h GLY 83 N 0.00 0.28 0.35 2.80 0.00 -0.35 0.90 103.07 107.06 3kxf h GLY 83 Ca 0.12 -0.71 0.14 0.00 0.00 0.00 0.00 47.33 46.88 3kxf h GLY 83 CO -0.00 0.63 0.63 -0.97 0.00 0.00 0.00 176.54 176.82 3kxf h TYR 84 N -0.46 1.12 -0.57 5.60 0.05 -0.08 -1.67 116.97 120.96 3kxf h TYR 84 Ca -0.15 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.66 3kxf h TYR 84 Cb 1.57 -0.35 0.00 0.00 1.01 0.00 0.00 36.73 38.96 3kxf h TYR 84 CO 0.19 0.38 0.00 0.66 -1.05 0.00 0.00 178.16 178.35 3kxf n TYR 85 N -4.67 1.10 -1.58 4.88 4.01 -0.76 -4.93 117.16 115.21 3kxf n TYR 85 Ca 0.20 -0.47 -0.11 0.00 -0.16 0.00 0.00 57.90 57.37 3kxf n TYR 85 Cb 0.43 -0.13 -0.04 0.00 -0.31 0.00 0.00 39.34 39.29 3kxf n TYR 85 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3kxf n ASN 86 N 1.06 -3.06 -4.76 7.72 3.02 -0.63 -4.92 115.26 113.70 3kxf n ASN 86 Ca 0.21 0.26 -0.40 0.00 -0.03 0.00 0.00 54.58 54.62 3kxf n ASN 86 Cb 0.67 -2.86 -0.04 0.00 -0.61 0.00 0.00 39.78 36.94 3kxf n ASN 86 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3kxf s GLN 87 N -3.42 4.60 0.88 3.52 -0.21 0.30 -5.00 119.66 120.33 3kxf s GLN 87 Ca 0.00 1.86 -0.14 0.00 0.02 0.00 0.00 55.36 57.10 3kxf s GLN 87 Cb 0.00 -3.18 0.14 0.00 1.00 0.00 0.00 33.01 30.97 3kxf s GLN 87 CO 0.00 0.15 1.25 -1.54 -2.12 0.00 0.00 175.29 173.03 3kxf s SER 88 N -0.78 3.82 0.23 5.90 1.04 -1.26 -4.62 113.70 118.04 3kxf s SER 88 Ca 0.45 0.51 0.21 0.00 0.48 0.00 0.00 55.95 57.60 3kxf s SER 88 Cb -0.33 -0.78 0.94 0.00 0.10 0.00 0.00 66.02 65.95 3kxf s SER 88 CO 0.42 -2.31 1.63 -0.62 0.98 0.00 0.00 173.24 173.34 3kxf n GLU 89 N -3.53 0.15 -0.07 4.02 1.02 -1.26 -3.94 120.64 117.04 3kxf n GLU 89 Ca 0.12 0.47 -0.07 0.00 -0.02 0.00 0.00 57.16 57.65 3kxf n GLU 89 Cb 0.60 -1.84 -0.01 0.00 -0.02 0.00 0.00 31.44 30.18 3kxf n GLU 89 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kxf h ALA 90 N 2.20 0.27 -2.07 0.62 0.00 -1.95 -3.42 119.26 114.92 3kxf h ALA 90 Ca 0.00 0.06 -0.45 0.00 0.00 0.00 0.00 54.91 54.52 3kxf h ALA 90 Cb 0.23 0.08 0.07 0.00 0.00 0.00 0.00 17.79 18.17 3kxf h ALA 90 CO 0.00 -0.37 0.12 0.20 0.00 0.00 0.00 179.25 179.19 3kxf s GLY 91 N -2.64 1.75 0.03 0.00 0.00 -1.25 -4.69 107.32 100.52 3kxf s GLY 91 Ca -0.13 -1.13 -0.00 0.00 0.00 0.00 0.00 44.72 43.46 3kxf s GLY 91 CO 0.70 -0.76 0.15 -0.45 0.00 0.00 0.00 173.10 172.74 3kxf s SER 92 N -4.49 6.10 -0.01 1.64 0.15 -1.26 -4.35 113.70 111.47 3kxf s SER 92 Ca 0.59 0.23 -0.05 0.00 0.70 0.00 0.00 55.95 57.42 3kxf s SER 92 Cb -0.10 -1.83 0.00 0.00 -1.71 0.00 0.00 66.02 62.38 3kxf s SER 92 CO 0.42 0.22 0.10 -1.00 1.20 0.00 0.00 173.24 174.18 3kxf s HIS 93 N -1.37 0.03 -0.13 3.44 3.76 -1.26 -4.98 115.29 114.78 3kxf s HIS 93 Ca 0.29 -0.07 0.00 0.00 -0.15 0.00 0.00 55.06 55.14 3kxf s HIS 93 Cb -0.13 -0.05 0.02 0.00 1.11 0.00 0.00 32.58 33.54 3kxf s HIS 93 CO 0.21 -0.19 -0.11 0.42 -0.85 0.00 0.00 174.74 174.22 3kxf s ILE 94 N -0.92 1.30 -0.17 0.60 1.01 -1.26 -1.27 121.20 120.49 3kxf s ILE 94 Ca -0.10 -0.47 -0.20 0.00 0.00 0.00 0.00 60.65 59.88 3kxf s ILE 94 Cb -0.06 -1.25 -0.03 0.00 0.01 0.00 0.00 42.46 41.13 3kxf s ILE 94 CO 0.01 0.41 0.56 -0.63 0.00 0.00 0.00 174.94 175.29 3kxf s ILE 95 N 1.50 5.09 -0.10 2.92 1.01 -0.50 -1.52 121.20 129.60 3kxf s ILE 95 Ca 0.03 1.07 0.02 0.00 0.00 0.00 0.00 60.65 61.77 3kxf s ILE 95 Cb -0.13 -3.88 -0.01 0.00 0.01 0.00 0.00 42.46 38.44 3kxf s ILE 95 CO -0.08 0.20 -0.17 -1.10 0.00 0.00 0.00 174.94 173.79 3kxf s GLN 96 N 1.40 3.11 0.02 2.79 -0.21 -0.55 -0.74 119.66 125.47 3kxf s GLN 96 Ca 0.27 -0.76 0.04 0.00 0.02 0.00 0.00 55.36 54.94 3kxf s GLN 96 Cb -0.16 -2.47 -0.02 0.00 1.00 0.00 0.00 33.01 31.37 3kxf s GLN 96 CO 0.11 0.27 -0.13 0.50 -2.12 0.00 0.00 175.29 173.92 3kxf s ARG 97 N 0.16 0.99 -0.32 2.91 3.52 0.57 -0.27 118.95 126.50 3kxf s ARG 97 Ca -0.09 -0.61 0.02 0.00 -0.13 0.00 0.00 55.73 54.91 3kxf s ARG 97 Cb -0.16 -0.97 0.15 0.00 -1.56 0.00 0.00 34.95 32.41 3kxf s ARG 97 CO 0.06 0.25 0.36 1.41 -0.81 0.00 0.00 175.30 176.57 3kxf s MET 98 N -0.74 0.47 0.09 5.12 1.75 -0.33 -0.08 119.30 125.58 3kxf s MET 98 Ca 0.03 -0.34 0.03 0.00 -1.25 0.00 0.00 55.69 54.17 3kxf s MET 98 Cb -0.06 -0.57 -0.03 0.00 2.84 0.00 0.00 34.83 37.00 3kxf s MET 98 CO 0.00 -1.10 -0.10 1.52 -0.65 0.00 0.00 175.02 174.70 3kxf s TYR 99 N 2.06 1.00 -3.46 4.11 1.13 -1.04 -1.84 117.35 119.31 3kxf s TYR 99 Ca 0.12 -0.65 0.00 0.00 -1.41 0.00 0.00 57.07 55.13 3kxf s TYR 99 Cb -0.14 -0.56 0.00 0.00 -1.10 0.00 0.00 41.96 40.17 3kxf s TYR 99 CO -0.21 -0.02 0.00 0.41 -2.51 0.00 0.00 175.55 173.22 3kxf n GLY 100 N 0.66 -1.83 2.86 5.49 0.00 -0.99 -0.71 105.19 110.67 3kxf n GLY 100 Ca -0.17 -1.16 -0.13 0.00 0.00 0.00 0.00 46.02 44.56 3kxf n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kxf s ASP 102 N 0.28 6.09 -0.08 0.00 1.11 -0.59 -2.26 116.67 121.22 3kxf s ASP 102 Ca -0.02 0.36 -0.01 0.00 0.18 0.00 0.00 52.55 53.06 3kxf s ASP 102 Cb -0.03 -1.94 -0.03 0.00 1.07 0.00 0.00 42.92 41.98 3kxf s ASP 102 CO -0.01 0.37 -0.03 -0.76 1.18 0.00 0.00 175.17 175.92 3kxf s LEU 103 N -0.80 3.41 0.00 1.23 1.02 -0.63 0.10 118.68 123.01 3kxf s LEU 103 Ca 0.13 0.07 0.00 0.00 0.02 0.00 0.00 54.13 54.35 3kxf s LEU 103 Cb -0.12 -1.77 0.00 0.00 0.02 0.00 0.00 46.19 44.33 3kxf s LEU 103 CO 0.03 0.36 0.00 0.61 0.02 0.00 0.00 176.35 177.37 3kxf n GLY 104 N 2.24 -1.57 0.14 -3.19 0.00 -1.04 -2.87 105.19 98.90 3kxf n GLY 104 Ca -0.18 -1.58 -0.08 0.00 0.00 0.00 0.00 46.02 44.17 3kxf n GLY 104 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kxf h PRO 105 N 0.00 0.25 -0.90 1.61 0.13 -1.89 -3.28 132.00 127.91 3kxf h PRO 105 Ca 0.00 -0.24 0.20 0.00 -0.87 0.00 0.00 66.00 65.10 3kxf h PRO 105 Cb 0.00 0.06 -0.12 0.00 0.13 0.00 0.00 31.00 31.07 3kxf h PRO 105 CO 0.00 0.92 0.44 0.38 -0.23 0.00 0.00 178.00 179.51 3kxf h ASP 106 N 0.16 0.44 0.00 1.44 2.03 -1.93 -3.46 116.42 115.09 3kxf h ASP 106 Ca -0.04 0.13 0.00 0.00 -0.73 0.00 0.00 57.03 56.40 3kxf h ASP 106 Cb 1.39 0.08 0.00 0.00 -0.83 0.00 0.00 39.33 39.97 3kxf h ASP 106 CO 0.13 0.08 0.00 0.61 -1.03 0.00 0.00 179.24 179.02 3kxf n GLY 107 N -1.33 1.65 3.80 7.15 0.00 -1.24 -5.13 105.19 110.09 3kxf n GLY 107 Ca 0.22 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.99 3kxf n GLY 107 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3kxf s ARG 108 N 0.00 2.29 0.16 1.61 3.52 -1.26 -4.84 118.95 120.43 3kxf s ARG 108 Ca 0.00 -1.84 -0.34 0.00 -0.13 0.00 0.00 55.73 53.42 3kxf s ARG 108 Cb 0.00 -2.06 -0.14 0.00 -1.56 0.00 0.00 34.95 31.18 3kxf s ARG 108 CO 0.00 -0.23 1.52 -0.11 -0.81 0.00 0.00 175.30 175.67 3kxf n LEU 109 N -1.40 2.87 -0.04 -0.88 0.00 -1.26 -2.50 117.00 113.79 3kxf n LEU 109 Ca -0.01 1.10 -0.01 0.00 0.00 0.00 0.00 56.01 57.08 3kxf n LEU 109 Cb 0.64 -1.39 -0.00 0.00 0.00 0.00 0.00 43.42 42.66 3kxf n LEU 109 CO 0.44 -0.43 -0.11 0.25 0.00 0.00 0.00 177.39 177.54 3kxf h LEU 110 N 5.50 0.00 -7.80 -1.96 5.85 0.36 -3.44 115.31 113.82 3kxf h LEU 110 Ca -0.45 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.25 3kxf h LEU 110 Cb 1.27 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 42.20 3kxf h LEU 110 CO 0.86 0.46 0.02 0.00 -0.34 0.00 0.00 178.44 179.43 3kxf s ARG 111 N -1.63 1.44 0.03 1.25 1.70 -1.23 -5.03 118.95 115.48 3kxf s ARG 111 Ca -0.05 -0.94 0.08 0.00 -0.47 0.00 0.00 55.73 54.36 3kxf s ARG 111 Cb 0.01 0.52 -0.03 0.00 -0.57 0.00 0.00 34.95 34.88 3kxf s ARG 111 CO 0.07 -0.61 -0.24 0.20 -1.08 0.00 0.00 175.30 173.64 3kxf s GLY 112 N -2.90 1.44 0.05 3.88 0.00 -1.26 -1.53 107.32 106.99 3kxf s GLY 112 Ca 0.12 -1.23 0.08 0.00 0.00 0.00 0.00 44.72 43.68 3kxf s GLY 112 CO -0.00 -1.10 -0.22 0.30 0.00 0.00 0.00 173.10 172.08 3kxf s HIS 113 N -0.82 1.89 -0.27 1.90 0.09 -0.66 -4.85 115.29 112.58 3kxf s HIS 113 Ca 0.12 -0.38 -0.01 0.00 -0.00 0.00 0.00 55.06 54.80 3kxf s HIS 113 Cb -0.10 -1.12 0.14 0.00 -0.00 0.00 0.00 32.58 31.50 3kxf s HIS 113 CO 0.02 0.10 0.33 0.34 -0.00 0.00 0.00 174.74 175.54 3kxf s ASP 114 N -1.23 1.02 -0.06 1.40 -1.08 -1.26 -2.36 116.67 113.11 3kxf s ASP 114 Ca 0.08 -0.41 0.04 0.00 -0.52 0.00 0.00 52.55 51.74 3kxf s ASP 114 Cb -0.09 0.77 -0.00 0.00 -1.46 0.00 0.00 42.92 42.14 3kxf s ASP 114 CO 0.02 -0.36 -0.19 -1.10 0.52 0.00 0.00 175.17 174.06 3kxf s GLN 115 N 2.44 2.15 0.14 4.34 -0.21 -0.77 -0.22 119.66 127.54 3kxf s GLN 115 Ca 0.10 -0.69 0.11 0.00 0.02 0.00 0.00 55.36 54.90 3kxf s GLN 115 Cb -0.14 -1.79 -0.04 0.00 1.00 0.00 0.00 33.01 32.04 3kxf s GLN 115 CO -0.27 0.22 -0.26 -1.12 -2.12 0.00 0.00 175.29 171.75 3kxf s SER 116 N 0.16 3.29 0.03 5.90 0.01 0.44 -1.19 113.70 122.34 3kxf s SER 116 Ca -0.08 -0.77 0.02 0.00 1.31 0.00 0.00 55.95 56.43 3kxf s SER 116 Cb -0.14 -0.22 -0.02 0.00 0.21 0.00 0.00 66.02 65.85 3kxf s SER 116 CO 0.04 0.16 -0.08 0.00 0.41 0.00 0.00 173.24 173.77 3kxf s ALA 117 N -1.19 0.60 -0.17 1.44 0.00 0.63 -0.46 121.76 122.61 3kxf s ALA 117 Ca 0.15 -0.60 -0.02 0.00 0.00 0.00 0.00 51.96 51.48 3kxf s ALA 117 Cb -0.10 -0.03 -0.01 0.00 0.00 0.00 0.00 23.12 22.98 3kxf s ALA 117 CO 0.07 0.05 -0.07 -0.47 0.00 0.00 0.00 175.76 175.33 3kxf s TYR 118 N -0.92 2.92 -1.30 0.00 5.04 0.34 -1.49 117.35 121.95 3kxf s TYR 118 Ca -0.05 -0.68 -0.24 0.00 -2.44 0.00 0.00 57.07 53.65 3kxf s TYR 118 Cb -0.07 -1.98 0.03 0.00 0.35 0.00 0.00 41.96 40.30 3kxf s TYR 118 CO 0.00 -0.31 0.46 -0.25 -1.34 0.00 0.00 175.55 174.11 3kxf n ASP 119 N 4.04 -2.47 0.00 4.32 9.92 -0.58 -1.67 116.55 130.12 3kxf n ASP 119 Ca -0.18 -1.28 0.00 0.00 -0.53 0.00 0.00 54.79 52.80 3kxf n ASP 119 Cb 0.52 -1.55 0.00 0.00 -0.64 0.00 0.00 41.12 39.44 3kxf n ASP 119 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3kxf n GLY 120 N -2.24 2.18 3.33 0.44 0.00 -1.26 -5.01 105.19 102.63 3kxf n GLY 120 Ca -0.18 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.63 3kxf n GLY 120 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kxf s LYS 121 N -0.15 1.27 0.39 1.61 -2.85 -0.67 -5.12 119.74 114.22 3kxf s LYS 121 Ca 0.00 -1.40 -0.26 0.00 -1.00 0.00 0.00 55.97 53.31 3kxf s LYS 121 Cb 0.00 -1.33 -0.11 0.00 -2.06 0.00 0.00 37.83 34.33 3kxf s LYS 121 CO 0.00 0.27 1.20 -0.25 0.10 0.00 0.00 175.35 176.67 3kxf n ASP 122 N 0.32 2.22 0.00 0.03 8.00 -1.26 -0.50 116.55 125.36 3kxf n ASP 122 Ca -0.13 1.12 0.00 0.00 0.71 0.00 0.00 54.79 56.49 3kxf n ASP 122 Cb 0.57 -1.45 0.00 0.00 -0.02 0.00 0.00 41.12 40.22 3kxf n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kxf n TYR 123 N -0.09 0.00 -3.73 1.24 9.36 0.39 -4.53 117.16 119.80 3kxf n TYR 123 Ca 0.07 0.00 -0.17 0.00 3.32 0.00 0.00 57.90 61.12 3kxf n TYR 123 Cb 0.38 0.00 -0.17 0.00 -0.63 0.00 0.00 39.34 38.92 3kxf n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 3kxf s ILE 124 N -0.73 -0.08 -0.06 2.97 2.07 -0.99 -0.70 121.20 123.67 3kxf s ILE 124 Ca 0.00 0.30 0.04 0.00 -1.41 0.00 0.00 60.65 59.58 3kxf s ILE 124 Cb 0.00 -0.11 0.00 0.00 0.13 0.00 0.00 42.46 42.48 3kxf s ILE 124 CO 0.00 0.13 -0.18 0.00 -1.91 0.00 0.00 174.94 172.98 3kxf s ALA 125 N 1.53 1.62 0.16 1.50 0.00 -1.12 -0.42 121.76 125.03 3kxf s ALA 125 Ca -0.03 -0.68 -0.30 0.00 0.00 0.00 0.00 51.96 50.94 3kxf s ALA 125 Cb -0.13 -0.61 -0.08 0.00 0.00 0.00 0.00 23.12 22.31 3kxf s ALA 125 CO -0.03 0.23 1.30 -1.17 0.00 0.00 0.00 175.76 176.09 3kxf s LEU 126 N 0.31 4.41 0.72 0.00 2.96 0.69 -1.81 118.68 125.96 3kxf s LEU 126 Ca -0.11 2.32 -0.11 0.00 -0.22 0.00 0.00 54.13 56.01 3kxf s LEU 126 Cb -0.15 -3.60 0.02 0.00 0.50 0.00 0.00 46.19 42.97 3kxf s LEU 126 CO 0.04 -0.52 1.07 0.20 -1.32 0.00 0.00 176.35 175.82 3kxf s ASN 127 N 0.55 5.12 0.38 3.68 0.01 -0.63 -4.52 114.94 119.53 3kxf s ASN 127 Ca 0.58 1.60 0.13 0.00 -0.71 0.00 0.00 52.86 54.46 3kxf s ASN 127 Cb -0.35 -2.43 0.94 0.00 0.41 0.00 0.00 41.25 39.82 3kxf s ASN 127 CO 0.35 -1.61 1.85 -0.08 -1.51 0.00 0.00 177.10 176.10 3kxf h GLU 128 N -0.83 0.54 0.00 -0.60 4.81 -1.90 0.47 114.58 117.07 3kxf h GLU 128 Ca -0.44 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 3kxf h GLU 128 Cb 1.22 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.48 3kxf h GLU 128 CO 0.56 0.36 0.00 -0.40 -0.73 0.00 0.00 179.01 178.80 3kxf n ASP 129 N -4.57 0.48 -3.07 1.04 5.75 -1.26 -4.84 116.55 110.08 3kxf n ASP 129 Ca 0.19 0.68 -0.22 0.00 -0.01 0.00 0.00 54.79 55.43 3kxf n ASP 129 Cb 0.61 -0.76 0.02 0.00 -1.03 0.00 0.00 41.12 39.96 3kxf n ASP 129 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 3kxf n LEU 130 N -2.10 -2.25 0.00 -2.12 4.77 0.15 -4.80 117.00 110.66 3kxf n LEU 130 Ca 0.00 -0.29 0.00 0.00 -0.03 0.00 0.00 56.01 55.70 3kxf n LEU 130 Cb 0.10 -2.68 0.00 0.00 -2.33 0.00 0.00 43.42 38.51 3kxf n LEU 130 CO 0.12 0.18 0.00 -1.54 -1.33 0.00 0.00 177.39 174.82 3kxf n SER 131 N -2.40 0.00 -4.44 -1.43 3.41 -1.26 -4.55 113.62 102.94 3kxf n SER 131 Ca -0.09 -0.19 -0.22 0.00 -0.26 0.00 0.00 58.87 58.11 3kxf n SER 131 Cb 0.60 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.44 3kxf n SER 131 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3kxf s SER 132 N 0.00 2.42 0.27 4.04 1.04 -1.26 -4.90 113.70 115.31 3kxf s SER 132 Ca 0.00 -1.39 0.11 0.00 0.48 0.00 0.00 55.95 55.15 3kxf s SER 132 Cb 0.00 -0.07 -0.05 0.00 0.10 0.00 0.00 66.02 66.01 3kxf s SER 132 CO 0.00 -0.62 -0.16 0.26 0.98 0.00 0.00 173.24 173.70 3kxf s TRP 133 N -3.28 2.38 -0.32 5.02 0.52 -1.26 -1.60 118.94 120.40 3kxf s TRP 133 Ca 0.36 -0.31 0.01 0.00 0.02 0.00 0.00 56.10 56.19 3kxf s TRP 133 Cb 0.09 -1.05 0.10 0.00 -1.15 0.00 0.00 33.47 31.46 3kxf s TRP 133 CO 0.15 0.68 0.07 0.99 0.02 0.00 0.00 176.95 178.87 3kxf s THR 134 N -2.40 1.51 0.17 2.01 2.01 -0.75 -4.86 115.64 113.33 3kxf s THR 134 Ca 0.30 -1.81 -0.30 0.00 0.31 0.00 0.00 61.69 60.19 3kxf s THR 134 Cb -0.06 -2.12 -0.07 0.00 0.01 0.00 0.00 72.50 70.26 3kxf s THR 134 CO 0.16 -0.63 1.09 0.00 -0.69 0.00 0.00 174.62 174.55 3kxf s ALA 135 N 1.30 3.36 -0.23 7.40 0.00 -1.26 -2.79 121.76 129.54 3kxf s ALA 135 Ca 0.10 0.79 0.18 0.00 0.00 0.00 0.00 51.96 53.03 3kxf s ALA 135 Cb -0.18 -3.35 0.10 0.00 0.00 0.00 0.00 23.12 19.69 3kxf s ALA 135 CO -0.17 -0.19 1.35 0.00 0.00 0.00 0.00 175.76 176.75 3kxf h ALA 136 N 5.18 0.73 -2.55 0.00 0.00 -1.22 -3.47 119.26 117.93 3kxf h ALA 136 Ca -0.44 -0.35 0.03 0.00 0.00 0.00 0.00 54.91 54.15 3kxf h ALA 136 Cb 1.21 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 3kxf h ALA 136 CO 0.72 0.45 0.30 -0.40 0.00 0.00 0.00 179.25 180.32 3kxf n ASP 137 N -3.09 -1.52 -0.29 0.00 5.75 -1.26 -5.02 116.55 111.11 3kxf n ASP 137 Ca 0.01 -1.97 0.21 0.00 -0.01 0.00 0.00 54.79 53.03 3kxf n ASP 137 Cb 0.68 2.52 0.50 0.00 -1.03 0.00 0.00 41.12 43.79 3kxf n ASP 137 CO 0.00 0.00 0.00 0.71 -0.11 0.00 0.00 177.20 177.80 3kxf h THR 138 N 1.72 0.60 -0.23 2.12 1.35 -2.00 -1.50 112.91 114.97 3kxf h THR 138 Ca -0.23 -0.14 -0.20 0.00 -0.55 0.00 0.00 66.41 65.29 3kxf h THR 138 Cb 0.90 0.15 0.00 0.00 -1.73 0.00 0.00 68.15 67.47 3kxf h THR 138 CO 0.29 0.08 -0.65 0.00 -0.25 0.00 0.00 175.52 174.99 3kxf h ALA 139 N 1.61 0.41 0.00 6.62 0.00 -1.96 -3.18 119.26 122.76 3kxf h ALA 139 Ca 0.54 -0.55 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 3kxf h ALA 139 Cb 1.35 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 3kxf h ALA 139 CO -0.24 0.68 -0.31 0.00 0.00 0.00 0.00 179.25 179.38 3kxf h ALA 140 N 0.65 1.06 -0.24 0.00 0.00 -1.62 -2.69 119.26 116.41 3kxf h ALA 140 Ca -0.01 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.56 3kxf h ALA 140 Cb 1.26 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 3kxf h ALA 140 CO 0.14 0.39 -0.06 1.96 0.00 0.00 0.00 179.25 181.68 3kxf h GLN 141 N 0.00 0.37 -0.20 0.00 4.20 -1.36 0.18 115.11 118.31 3kxf h GLN 141 Ca -0.00 -0.08 -0.09 0.00 0.06 0.00 0.00 58.65 58.53 3kxf h GLN 141 Cb 0.79 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.50 3kxf h GLN 141 CO 0.04 0.45 -0.28 0.82 -0.67 0.00 0.00 178.83 179.19 3kxf h ILE 142 N 0.36 1.27 -0.07 2.54 2.04 -1.50 -2.01 117.51 120.14 3kxf h ILE 142 Ca 0.08 -1.28 -0.20 0.00 1.00 0.00 0.00 64.86 64.45 3kxf h ILE 142 Cb 0.34 1.43 0.01 0.00 -0.74 0.00 0.00 36.82 37.87 3kxf h ILE 142 CO 0.02 0.40 -0.74 0.74 0.00 0.00 0.00 178.15 178.56 3kxf h THR 143 N 0.33 1.33 -0.26 -0.27 2.02 -1.43 -2.93 112.91 111.71 3kxf h THR 143 Ca 0.05 -2.03 0.04 0.00 0.77 0.00 0.00 66.41 65.24 3kxf h THR 143 Cb 0.68 2.27 -0.04 0.00 -1.74 0.00 0.00 68.15 69.32 3kxf h THR 143 CO 0.05 0.62 0.00 -0.61 0.37 0.00 0.00 175.52 175.95 3kxf h GLN 144 N 0.26 0.08 0.00 6.66 4.15 -0.81 0.75 115.11 126.20 3kxf h GLN 144 Ca -0.07 -0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.31 3kxf h GLN 144 Cb 1.40 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 29.07 3kxf h GLN 144 CO 0.15 0.05 -0.17 0.00 -1.93 0.00 0.00 178.83 176.93 3kxf h ARG 145 N 0.08 0.00 -0.06 1.69 3.08 -1.45 0.30 114.38 118.02 3kxf h ARG 145 Ca 0.12 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.95 3kxf h ARG 145 Cb 0.16 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.22 3kxf h ARG 145 CO -0.20 0.17 -0.83 -0.22 -1.07 0.00 0.00 179.97 177.81 3kxf h LYS 146 N 0.00 0.68 0.10 0.04 3.64 -1.13 -3.08 116.57 116.82 3kxf h LYS 146 Ca -0.00 -0.64 -0.28 0.00 -1.27 0.00 0.00 60.65 58.46 3kxf h LYS 146 Cb 0.45 0.16 0.02 0.00 -0.41 0.00 0.00 32.23 32.45 3kxf h LYS 146 CO 0.02 1.24 -1.18 -1.49 -2.27 0.00 0.00 179.45 175.77 3kxf h TRP 147 N 0.34 0.79 -0.44 1.91 4.06 -0.21 -2.50 115.95 119.90 3kxf h TRP 147 Ca -0.09 -0.50 -0.08 0.00 2.06 0.00 0.00 58.89 60.28 3kxf h TRP 147 Cb 1.49 -0.06 -0.02 0.00 -1.00 0.00 0.00 29.16 29.57 3kxf h TRP 147 CO 0.11 1.35 -0.06 0.93 -3.56 0.00 0.00 178.44 177.21 3kxf h GLU 148 N 0.21 0.75 -0.50 0.49 5.08 -0.57 0.41 114.58 120.46 3kxf h GLU 148 Ca -0.15 -0.22 -0.03 0.00 -1.00 0.00 0.00 59.36 57.96 3kxf h GLU 148 Cb 1.86 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 31.01 3kxf h GLU 148 CO 0.21 0.80 0.19 0.00 -1.00 0.00 0.00 179.01 179.22 3kxf h ALA 149 N 1.24 1.41 0.00 3.43 0.00 -1.54 -2.28 119.26 121.53 3kxf h ALA 149 Ca 0.13 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3kxf h ALA 149 Cb 0.51 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3kxf h ALA 149 CO 0.03 0.45 -0.32 0.00 0.00 0.00 0.00 179.25 179.41 3kxf n ALA 150 N -2.46 2.87 -3.82 0.00 0.00 -0.78 -4.95 120.51 111.37 3kxf n ALA 150 Ca 0.04 -0.21 -0.27 0.00 0.00 0.00 0.00 53.44 53.00 3kxf n ALA 150 Cb 0.16 -1.28 0.03 0.00 0.00 0.00 0.00 19.45 18.36 3kxf n ALA 150 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kxf n ARG 151 N -1.75 -5.64 -0.34 0.00 1.74 0.13 -4.90 116.66 105.90 3kxf n ARG 151 Ca 0.05 0.63 0.05 0.00 -0.77 0.00 0.00 57.85 57.81 3kxf n ARG 151 Cb 0.37 -5.45 0.20 0.00 -1.02 0.00 0.00 32.46 26.56 3kxf n ARG 151 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3kxf h VAL 152 N -2.09 0.95 -0.22 1.55 2.07 -1.43 -1.47 116.25 115.61 3kxf h VAL 152 Ca -0.59 -0.32 0.06 0.00 0.82 0.00 0.00 66.70 66.67 3kxf h VAL 152 Cb 1.37 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 3kxf h VAL 152 CO 0.63 0.17 0.25 0.00 0.02 0.00 0.00 177.57 178.65 3kxf h ALA 153 N 1.49 1.83 0.24 1.67 0.00 -1.91 -1.29 119.26 121.30 3kxf h ALA 153 Ca 0.45 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.34 3kxf h ALA 153 Cb 0.38 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3kxf h ALA 153 CO -0.24 -0.37 -0.12 0.93 0.00 0.00 0.00 179.25 179.46 3kxf h GLU 154 N 0.00 -0.31 0.00 0.00 5.08 -1.57 -1.79 114.58 115.99 3kxf h GLU 154 Ca 0.10 0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.46 3kxf h GLU 154 Cb 0.61 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.93 3kxf h GLU 154 CO -0.00 0.04 -0.12 0.00 -1.00 0.00 0.00 179.01 177.92 3kxf h ALA 155 N -0.13 1.52 0.42 3.43 0.00 -1.35 0.52 119.26 123.67 3kxf h ALA 155 Ca -0.03 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 3kxf h ALA 155 Cb 0.49 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3kxf h ALA 155 CO 0.05 0.16 -0.20 0.00 0.00 0.00 0.00 179.25 179.26 3kxf h ARG 156 N 0.00 -0.55 -0.74 0.00 2.47 -1.31 -2.38 114.38 111.87 3kxf h ARG 156 Ca -0.00 0.04 0.17 0.00 -1.26 0.00 0.00 59.98 58.92 3kxf h ARG 156 Cb 0.27 0.12 -0.13 0.00 -1.65 0.00 0.00 29.97 28.58 3kxf h ARG 156 CO 0.02 -0.36 0.00 -0.09 0.56 0.00 0.00 179.97 180.09 3kxf h ARG 157 N -0.90 0.10 -0.69 0.04 2.43 -1.13 0.20 114.38 114.43 3kxf h ARG 157 Ca -0.06 -0.01 0.13 0.00 -0.81 0.00 0.00 59.98 59.24 3kxf h ARG 157 Cb 0.43 -0.02 -0.13 0.00 -0.42 0.00 0.00 29.97 29.83 3kxf h ARG 157 CO 0.10 0.07 -0.22 0.00 -1.51 0.00 0.00 179.97 178.40 3kxf h ALA 158 N 1.69 0.35 0.02 2.80 0.00 -0.92 0.20 119.26 123.40 3kxf h ALA 158 Ca 0.40 0.25 -0.00 0.00 0.00 0.00 0.00 54.91 55.56 3kxf h ALA 158 Cb 0.70 0.61 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3kxf h ALA 158 CO -0.65 -0.48 -0.01 -0.92 0.00 0.00 0.00 179.25 177.19 3kxf h TYR 159 N -0.04 -0.03 -0.77 0.00 3.20 -0.18 -1.69 116.97 117.46 3kxf h TYR 159 Ca 0.32 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.16 3kxf h TYR 159 Cb 0.53 0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.78 3kxf h TYR 159 CO -0.59 0.54 0.36 -0.07 -1.64 0.00 0.00 178.16 176.75 3kxf h LEU 160 N -0.62 1.02 -0.02 2.82 3.38 -0.49 0.15 115.31 121.55 3kxf h LEU 160 Ca -0.00 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.82 3kxf h LEU 160 Cb 0.58 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.07 3kxf h LEU 160 CO 0.01 0.88 -0.02 -0.62 0.09 0.00 0.00 178.44 178.77 3kxf n GLU 161 N -4.36 0.31 0.00 1.13 1.02 0.67 -4.22 120.64 115.19 3kxf n GLU 161 Ca 0.07 -0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 3kxf n GLU 161 Cb 0.15 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.07 3kxf n GLU 161 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kxf n GLY 162 N 1.35 0.51 0.21 0.62 0.00 0.40 -4.80 105.19 103.49 3kxf n GLY 162 Ca 0.12 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.98 3kxf n GLY 162 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3kxf h LEU 163 N 0.00 0.85 -0.84 0.99 3.38 -1.42 -2.57 115.31 115.69 3kxf h LEU 163 Ca 0.00 -0.57 0.21 0.00 0.09 0.00 0.00 57.88 57.61 3kxf h LEU 163 Cb 0.00 -0.25 -0.14 0.00 0.09 0.00 0.00 40.66 40.35 3kxf h LEU 163 CO 0.00 1.36 0.09 0.00 0.09 0.00 0.00 178.44 179.99 3kxf h VAL 165 N 0.13 1.49 -0.42 0.00 2.07 -1.72 -2.76 116.25 115.05 3kxf h VAL 165 Ca 0.50 -1.48 0.09 0.00 0.82 0.00 0.00 66.70 66.62 3kxf h VAL 165 Cb 0.95 2.48 -0.08 0.00 -1.52 0.00 0.00 31.29 33.12 3kxf h VAL 165 CO -0.71 0.39 -0.13 -0.33 0.02 0.00 0.00 177.57 176.81 3kxf h GLU 166 N -0.58 -0.03 -0.00 1.57 5.08 -0.86 -1.76 114.58 117.99 3kxf h GLU 166 Ca -0.00 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.19 3kxf h GLU 166 Cb 0.65 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.89 3kxf h GLU 166 CO 0.01 -0.02 -0.79 -1.49 -1.00 0.00 0.00 179.01 175.71 3kxf h TRP 167 N -0.03 0.14 0.52 4.33 4.06 -0.96 -1.99 115.95 122.02 3kxf h TRP 167 Ca 0.20 -0.07 -0.02 0.00 2.06 0.00 0.00 58.89 61.06 3kxf h TRP 167 Cb 0.34 -0.02 -0.00 0.00 -1.00 0.00 0.00 29.16 28.48 3kxf h TRP 167 CO -0.39 0.85 -0.30 1.25 -3.56 0.00 0.00 178.44 176.29 3kxf h LEU 168 N 0.06 -0.73 -1.15 -4.49 5.85 -1.12 0.24 115.31 113.96 3kxf h LEU 168 Ca -0.02 0.04 0.15 0.00 0.84 0.00 0.00 57.88 58.89 3kxf h LEU 168 Cb 1.39 0.21 -0.08 0.00 0.37 0.00 0.00 40.66 42.55 3kxf h LEU 168 CO 0.11 -0.48 0.60 0.03 -0.34 0.00 0.00 178.44 178.37 3kxf h ARG 169 N -0.77 0.76 0.28 1.25 3.08 -1.30 1.00 114.38 118.67 3kxf h ARG 169 Ca -0.06 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.93 3kxf h ARG 169 Cb 0.61 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.50 3kxf h ARG 169 CO 0.08 0.50 -0.14 -0.09 -1.07 0.00 0.00 179.97 179.26 3kxf h ARG 170 N 0.78 -0.37 -0.02 0.04 2.43 -0.78 -2.62 114.38 113.84 3kxf h ARG 170 Ca 0.50 0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.64 3kxf h ARG 170 Cb 0.74 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.36 3kxf h ARG 170 CO -0.26 -0.20 -0.25 1.88 -1.51 0.00 0.00 179.97 179.63 3kxf h TYR 171 N -0.44 0.04 -0.28 2.20 0.05 0.42 -1.45 116.97 117.52 3kxf h TYR 171 Ca -0.04 -0.01 -0.10 0.00 0.05 0.00 0.00 58.73 58.64 3kxf h TYR 171 Cb 0.33 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 38.05 3kxf h TYR 171 CO -0.04 0.28 -0.23 -0.07 -1.05 0.00 0.00 178.16 177.05 3kxf h LEU 172 N 0.03 0.53 0.10 3.88 3.38 -0.69 -2.34 115.31 120.20 3kxf h LEU 172 Ca 0.00 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 3kxf h LEU 172 Cb 0.45 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.06 3kxf h LEU 172 CO 0.03 0.76 -0.05 -0.08 0.09 0.00 0.00 178.44 179.19 3kxf h GLU 173 N 0.47 -0.13 -1.11 1.13 4.57 -1.07 -3.04 114.58 115.39 3kxf h GLU 173 Ca 0.07 0.01 0.32 0.00 -1.18 0.00 0.00 59.36 58.58 3kxf h GLU 173 Cb 0.66 0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 29.23 3kxf h GLU 173 CO 0.05 0.04 1.00 -0.91 -1.18 0.00 0.00 179.01 178.01 3kxf h ASN 174 N -1.02 0.00 -1.38 1.04 2.35 -1.32 -0.03 115.58 115.21 3kxf h ASN 174 Ca -0.01 0.00 -0.50 0.00 -0.55 0.00 0.00 56.30 55.23 3kxf h ASN 174 Cb 0.22 0.00 -0.41 0.00 0.05 0.00 0.00 38.32 38.18 3kxf h ASN 174 CO 0.02 0.00 -0.91 0.61 -1.65 0.00 0.00 177.43 175.50 3kxf n GLY 175 N -1.72 4.31 0.22 2.83 0.00 -0.88 -4.86 105.19 105.08 3kxf n GLY 175 Ca 0.24 -2.21 -0.01 0.00 0.00 0.00 0.00 46.02 44.05 3kxf n GLY 175 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kxf h LYS 176 N 2.76 0.15 -0.62 1.61 1.57 -0.87 -2.22 116.57 118.95 3kxf h LYS 176 Ca 0.14 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 3kxf h LYS 176 Cb 1.00 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.27 3kxf h LYS 176 CO 0.71 0.10 0.00 -0.85 -0.57 0.00 0.00 179.45 178.84 3kxf n GLU 177 N -5.22 2.08 0.00 3.15 -0.00 -1.26 -1.11 120.64 118.28 3kxf n GLU 177 Ca 0.07 -1.04 0.00 0.00 -0.00 0.00 0.00 57.16 56.19 3kxf n GLU 177 Cb 0.30 -1.55 0.00 0.00 -0.00 0.00 0.00 31.44 30.20 3kxf n GLU 177 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 3kxf n THR 178 N 0.24 0.00 0.05 3.84 -2.24 -1.21 -4.78 114.28 110.18 3kxf n THR 178 Ca 0.09 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.65 3kxf n THR 178 Cb 0.44 -0.05 -0.14 0.00 -2.10 0.00 0.00 70.33 68.48 3kxf n THR 178 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3kxf h LEU 179 N 0.00 0.51 -0.66 3.22 3.38 -1.43 -3.30 115.31 117.02 3kxf h LEU 179 Ca 0.00 -0.90 0.00 0.00 0.09 0.00 0.00 57.88 57.07 3kxf h LEU 179 Cb 0.05 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.63 3kxf h LEU 179 CO 0.00 1.66 0.00 0.00 0.09 0.00 0.00 178.44 180.19 3kxf n GLN 180 N -3.82 1.36 -4.18 1.13 1.13 -0.27 -4.86 117.38 107.88 3kxf n GLN 180 Ca -0.23 -0.45 -0.23 0.00 -1.94 0.00 0.00 57.00 54.15 3kxf n GLN 180 Cb 0.97 -1.21 -0.06 0.00 0.11 0.00 0.00 30.24 30.05 3kxf n GLN 180 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 3kxf s ARG 181 N -1.71 2.68 -0.33 -1.09 3.52 -1.25 -4.98 118.95 115.79 3kxf s ARG 181 Ca 0.08 -1.15 -0.01 0.00 -0.13 0.00 0.00 55.73 54.52 3kxf s ARG 181 Cb 0.05 -2.43 0.12 0.00 -1.56 0.00 0.00 34.95 31.12 3kxf s ARG 181 CO 0.05 0.40 0.16 0.00 -0.81 0.00 0.00 175.30 175.10 3kxf s ALA 182 N -2.11 1.10 -0.31 6.12 0.00 -1.26 -4.82 121.76 120.48 3kxf s ALA 182 Ca 0.32 -1.64 -0.29 0.00 0.00 0.00 0.00 51.96 50.35 3kxf s ALA 182 Cb -0.08 -1.57 -0.01 0.00 0.00 0.00 0.00 23.12 21.47 3kxf s ALA 182 CO 0.23 -1.85 1.45 -0.51 0.00 0.00 0.00 175.76 175.07 3kxf s ASP 183 N 1.46 6.46 0.99 0.00 -0.00 -0.88 -4.47 116.67 120.23 3kxf s ASP 183 Ca 0.13 1.23 -0.12 0.00 -0.00 0.00 0.00 52.55 53.79 3kxf s ASP 183 Cb -0.20 -2.54 0.18 0.00 -0.00 0.00 0.00 42.92 40.37 3kxf s ASP 183 CO -0.18 -1.26 1.09 -2.16 -0.00 0.00 0.00 175.17 172.66 3kxf s PRO 184 N 4.59 0.47 0.04 8.23 0.04 -1.26 -0.13 135.00 146.99 3kxf s PRO 184 Ca 0.63 0.61 -0.30 0.00 0.04 0.00 0.00 61.00 61.99 3kxf s PRO 184 Cb -0.18 -1.73 -0.04 0.00 0.04 0.00 0.00 34.50 32.58 3kxf s PRO 184 CO 0.28 -2.72 0.95 -1.25 0.04 0.00 0.00 177.00 174.30 3kxf s PRO 185 N -4.91 4.61 -0.39 0.56 0.04 -1.26 -4.27 135.00 129.36 3kxf s PRO 185 Ca 0.65 1.40 -0.22 0.00 0.04 0.00 0.00 61.00 62.87 3kxf s PRO 185 Cb -0.19 -3.42 0.01 0.00 0.04 0.00 0.00 34.50 30.94 3kxf s PRO 185 CO 0.58 0.07 0.70 0.15 0.04 0.00 0.00 177.00 178.54 3kxf s LYS 186 N 0.56 3.55 0.15 4.56 1.02 -1.11 -4.89 119.74 123.58 3kxf s LYS 186 Ca 0.49 -0.02 0.11 0.00 0.02 0.00 0.00 55.97 56.57 3kxf s LYS 186 Cb -0.22 -3.87 -0.04 0.00 -0.52 0.00 0.00 37.83 33.19 3kxf s LYS 186 CO 0.28 -0.90 -0.25 0.95 -0.92 0.00 0.00 175.35 174.51 3kxf s THR 187 N 2.93 2.25 0.18 2.17 -4.23 -1.26 -2.68 115.64 114.99 3kxf s THR 187 Ca 0.26 -1.85 -0.21 0.00 -1.18 0.00 0.00 61.69 58.72 3kxf s THR 187 Cb -0.14 -2.01 0.05 0.00 1.34 0.00 0.00 72.50 71.74 3kxf s THR 187 CO 0.18 -0.00 0.58 -1.38 -0.54 0.00 0.00 174.62 173.46 3kxf s HIS 188 N -1.31 -0.36 0.06 3.99 -3.43 -1.20 -5.03 115.29 108.02 3kxf s HIS 188 Ca 0.16 0.07 0.05 0.00 -0.80 0.00 0.00 55.06 54.54 3kxf s HIS 188 Cb -0.09 0.52 -0.04 0.00 -1.43 0.00 0.00 32.58 31.54 3kxf s HIS 188 CO 0.07 -0.91 -0.09 0.08 -2.00 0.00 0.00 174.74 171.89 3kxf s VAL 189 N -3.81 3.47 -0.02 -5.38 1.01 -1.26 -1.20 120.40 113.21 3kxf s VAL 189 Ca 0.05 -1.06 0.02 0.00 0.00 0.00 0.00 61.98 60.99 3kxf s VAL 189 Cb -0.02 -2.57 0.00 0.00 0.00 0.00 0.00 36.38 33.80 3kxf s VAL 189 CO -0.08 0.24 -0.06 0.28 0.00 0.00 0.00 175.10 175.48 3kxf s THR 190 N -1.11 0.55 -0.31 3.92 -1.32 -0.29 -4.96 115.64 112.11 3kxf s THR 190 Ca 0.20 -0.25 -0.09 0.00 -1.21 0.00 0.00 61.69 60.34 3kxf s THR 190 Cb -0.11 -0.49 0.00 0.00 -1.51 0.00 0.00 72.50 70.39 3kxf s THR 190 CO 0.11 0.18 0.12 -2.28 -2.21 0.00 0.00 174.62 170.54 3kxf s HIS 191 N 0.14 3.17 -0.24 9.09 2.46 -1.26 -1.85 115.29 126.80 3kxf s HIS 191 Ca -0.02 -0.74 0.01 0.00 0.47 0.00 0.00 55.06 54.78 3kxf s HIS 191 Cb -0.06 -2.32 0.04 0.00 -0.13 0.00 0.00 32.58 30.11 3kxf s HIS 191 CO -0.00 -0.51 -0.11 -1.01 -2.47 0.00 0.00 174.74 170.64 3kxf s HIS 192 N 1.57 3.09 0.07 3.88 3.76 0.23 -4.98 115.29 122.91 3kxf s HIS 192 Ca 0.04 -1.92 -0.31 0.00 -0.15 0.00 0.00 55.06 52.72 3kxf s HIS 192 Cb -0.17 -1.97 -0.08 0.00 1.11 0.00 0.00 32.58 31.47 3kxf s HIS 192 CO 0.05 -0.82 1.59 -2.14 -0.85 0.00 0.00 174.74 172.57 3kxf s PRO 193 N 1.22 4.22 0.00 8.40 0.02 -1.26 -0.04 135.00 147.55 3kxf s PRO 193 Ca -0.03 2.26 0.00 0.00 0.02 0.00 0.00 61.00 63.25 3kxf s PRO 193 Cb -0.17 -3.52 0.00 0.00 0.02 0.00 0.00 34.50 30.82 3kxf s PRO 193 CO -0.07 -0.68 0.25 1.55 -0.33 0.00 0.00 177.00 177.72 3kxf n VAL 194 N 4.58 0.00 -1.24 3.83 3.14 -1.04 -4.92 118.33 122.68 3kxf n VAL 194 Ca 0.15 -0.49 0.00 0.00 -2.96 0.00 0.00 64.34 61.04 3kxf n VAL 194 Cb 0.41 1.01 0.00 0.00 -1.06 0.00 0.00 33.84 34.20 3kxf n VAL 194 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 3kxf n SER 195 N -0.49 0.44 -0.36 6.55 7.64 -1.09 -4.90 113.62 121.41 3kxf n SER 195 Ca 0.00 0.00 0.04 0.00 1.01 0.00 0.00 58.87 59.92 3kxf n SER 195 Cb 0.00 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.24 3kxf n SER 195 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3kxf n ASP 196 N 0.00 1.80 0.00 6.43 9.92 -1.26 -4.71 116.55 128.74 3kxf n ASP 196 Ca 0.00 -1.41 0.00 0.00 -0.53 0.00 0.00 54.79 52.85 3kxf n ASP 196 Cb 0.00 -0.01 0.00 0.00 -0.64 0.00 0.00 41.12 40.47 3kxf n ASP 196 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 3kxf n HIS 197 N 0.47 0.00 -3.93 1.24 8.25 -1.26 -4.81 115.22 115.18 3kxf n HIS 197 Ca 0.05 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.16 3kxf n HIS 197 Cb 0.23 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.28 3kxf n HIS 197 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3kxf s GLU 198 N -1.10 3.39 -0.09 -0.41 0.41 -1.26 0.14 118.70 119.79 3kxf s GLU 198 Ca 0.00 -0.24 -0.04 0.00 -0.41 0.00 0.00 54.97 54.28 3kxf s GLU 198 Cb 0.00 -3.11 0.04 0.00 -1.78 0.00 0.00 34.13 29.28 3kxf s GLU 198 CO 0.00 0.72 0.19 0.00 -0.49 0.00 0.00 175.26 175.68 3kxf s ALA 199 N -1.16 -0.37 -0.15 5.21 0.00 -0.19 -2.50 121.76 122.61 3kxf s ALA 199 Ca 0.21 0.79 -0.29 0.00 0.00 0.00 0.00 51.96 52.66 3kxf s ALA 199 Cb -0.12 -0.62 -0.01 0.00 0.00 0.00 0.00 23.12 22.36 3kxf s ALA 199 CO 0.11 -0.28 1.17 0.99 0.00 0.00 0.00 175.76 177.74 3kxf s THR 200 N 1.49 4.43 -0.26 0.00 2.01 0.94 0.00 115.64 124.25 3kxf s THR 200 Ca -0.06 1.73 -0.07 0.00 0.31 0.00 0.00 61.69 63.60 3kxf s THR 200 Cb -0.11 -4.11 -0.02 0.00 0.01 0.00 0.00 72.50 68.27 3kxf s THR 200 CO -0.07 -0.10 0.06 -0.76 -0.69 0.00 0.00 174.62 173.06 3kxf s LEU 201 N 2.98 3.48 -0.15 4.42 1.43 0.83 -0.60 118.68 131.06 3kxf s LEU 201 Ca 0.52 -0.36 -0.02 0.00 -1.03 0.00 0.00 54.13 53.23 3kxf s LEU 201 Cb -0.20 -1.89 -0.02 0.00 0.03 0.00 0.00 46.19 44.11 3kxf s LEU 201 CO 0.14 -0.08 -0.08 -0.60 0.23 0.00 0.00 176.35 175.97 3kxf s ARG 202 N 1.57 3.51 -0.37 1.70 3.52 -0.77 -0.19 118.95 127.91 3kxf s ARG 202 Ca 0.05 -0.60 -0.09 0.00 -0.13 0.00 0.00 55.73 54.96 3kxf s ARG 202 Cb -0.16 -2.81 0.04 0.00 -1.56 0.00 0.00 34.95 30.46 3kxf s ARG 202 CO 0.02 0.17 0.19 0.00 -0.81 0.00 0.00 175.30 174.87 3kxf s TRP 204 N 1.49 3.66 -0.19 0.00 0.52 -0.34 -1.77 118.94 122.30 3kxf s TRP 204 Ca 0.01 0.86 -0.03 0.00 0.02 0.00 0.00 56.10 56.96 3kxf s TRP 204 Cb -0.20 -2.20 0.06 0.00 -1.15 0.00 0.00 33.47 29.99 3kxf s TRP 204 CO 0.05 0.60 0.04 0.00 0.02 0.00 0.00 176.95 177.66 3kxf s ALA 205 N -1.21 0.98 -0.09 0.98 0.00 0.38 -3.23 121.76 119.57 3kxf s ALA 205 Ca 0.27 -0.69 0.04 0.00 0.00 0.00 0.00 51.96 51.58 3kxf s ALA 205 Cb -0.15 -1.18 -0.01 0.00 0.00 0.00 0.00 23.12 21.78 3kxf s ALA 205 CO 0.14 -1.18 -0.22 -0.51 0.00 0.00 0.00 175.76 173.99 3kxf s LEU 206 N 1.87 2.23 -0.65 0.00 1.43 -1.09 -1.00 118.68 121.47 3kxf s LEU 206 Ca -0.01 -0.48 -0.01 0.00 -1.03 0.00 0.00 54.13 52.61 3kxf s LEU 206 Cb -0.17 -1.44 -0.01 0.00 0.03 0.00 0.00 46.19 44.60 3kxf s LEU 206 CO -0.08 0.20 0.54 0.61 0.23 0.00 0.00 176.35 177.85 3kxf n GLY 207 N 3.26 -0.04 3.71 -3.19 0.00 -0.53 -2.76 105.19 105.63 3kxf n GLY 207 Ca -0.18 -0.09 -0.23 0.00 0.00 0.00 0.00 46.02 45.52 3kxf n GLY 207 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3kxf s PHE 208 N -3.20 2.81 -0.12 1.61 -0.71 -0.71 -4.68 117.98 112.99 3kxf s PHE 208 Ca 0.05 -0.21 -0.07 0.00 -1.04 0.00 0.00 56.93 55.66 3kxf s PHE 208 Cb -0.01 -1.31 0.04 0.00 -1.21 0.00 0.00 43.02 40.54 3kxf s PHE 208 CO 0.40 0.56 0.28 -0.47 -1.34 0.00 0.00 175.22 174.65 3kxf s TYR 209 N -2.28 -0.38 0.95 3.49 5.04 0.82 -1.12 117.35 123.86 3kxf s TYR 209 Ca 0.33 0.87 -0.15 0.00 -2.44 0.00 0.00 57.07 55.68 3kxf s TYR 209 Cb -0.06 0.10 0.19 0.00 0.35 0.00 0.00 41.96 42.54 3kxf s TYR 209 CO 0.22 -0.24 1.31 -1.25 -1.34 0.00 0.00 175.55 174.25 3kxf s PRO 210 N 1.05 0.73 0.55 4.97 0.04 -1.26 -2.08 135.00 139.00 3kxf s PRO 210 Ca -0.07 -0.41 0.23 0.00 0.04 0.00 0.00 61.00 60.79 3kxf s PRO 210 Cb -0.08 -1.86 1.48 0.00 0.04 0.00 0.00 34.50 34.07 3kxf s PRO 210 CO -0.07 -2.35 2.12 0.00 0.04 0.00 0.00 177.00 176.73 3kxf h ALA 211 N -1.59 1.99 -1.96 8.56 0.00 -1.94 -3.43 119.26 120.89 3kxf h ALA 211 Ca -0.44 -0.01 -0.57 0.00 0.00 0.00 0.00 54.91 53.89 3kxf h ALA 211 Cb 1.24 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 3kxf h ALA 211 CO 0.39 -0.22 1.26 -2.00 0.00 0.00 0.00 179.25 178.69 3kxf s GLU 212 N -4.88 3.49 0.08 0.00 2.56 -1.26 -4.96 118.70 113.72 3kxf s GLU 212 Ca -0.05 1.66 -0.01 0.00 0.00 0.00 0.00 54.97 56.57 3kxf s GLU 212 Cb 0.17 -4.17 -0.04 0.00 2.00 0.00 0.00 34.13 32.08 3kxf s GLU 212 CO 0.63 -1.67 -0.01 -1.50 -0.56 0.00 0.00 175.26 172.15 3kxf s ILE 213 N 6.46 0.24 -0.09 -3.70 2.07 -1.26 -4.52 121.20 120.40 3kxf s ILE 213 Ca 0.81 -1.85 0.02 0.00 -1.41 0.00 0.00 60.65 58.22 3kxf s ILE 213 Cb -0.26 -1.70 0.01 0.00 0.13 0.00 0.00 42.46 40.64 3kxf s ILE 213 CO 0.33 -0.82 -0.16 -0.89 -1.91 0.00 0.00 174.94 171.49 3kxf s THR 214 N -3.92 1.46 -0.19 4.00 2.01 -0.42 -4.98 115.64 113.60 3kxf s THR 214 Ca 0.13 -0.66 -0.00 0.00 0.31 0.00 0.00 61.69 61.47 3kxf s THR 214 Cb 0.08 -1.32 0.05 0.00 0.01 0.00 0.00 72.50 71.32 3kxf s THR 214 CO -0.06 0.43 -0.05 -0.76 -0.69 0.00 0.00 174.62 173.49 3kxf s LEU 215 N 0.69 1.85 -0.03 4.42 1.43 -1.26 -1.46 118.68 124.33 3kxf s LEU 215 Ca -0.13 -0.81 0.01 0.00 -1.03 0.00 0.00 54.13 52.17 3kxf s LEU 215 Cb -0.16 -0.98 0.02 0.00 0.03 0.00 0.00 46.19 45.10 3kxf s LEU 215 CO 0.03 -0.20 -0.02 0.42 0.23 0.00 0.00 176.35 176.81 3kxf s THR 216 N 1.57 0.30 0.02 5.49 -4.23 -0.39 -4.94 115.64 113.45 3kxf s THR 216 Ca -0.01 -0.02 -0.17 0.00 -1.18 0.00 0.00 61.69 60.32 3kxf s THR 216 Cb -0.16 -0.34 -0.06 0.00 1.34 0.00 0.00 72.50 73.27 3kxf s THR 216 CO -0.07 0.15 0.47 0.26 -0.54 0.00 0.00 174.62 174.89 3kxf s TRP 217 N 0.76 3.75 0.05 3.99 0.52 -1.26 0.15 118.94 126.89 3kxf s TRP 217 Ca -0.08 1.09 0.08 0.00 0.02 0.00 0.00 56.10 57.20 3kxf s TRP 217 Cb -0.12 -2.38 -0.03 0.00 -1.15 0.00 0.00 33.47 29.80 3kxf s TRP 217 CO -0.01 0.60 -0.21 -0.65 0.02 0.00 0.00 176.95 176.69 3kxf s GLN 218 N -0.99 1.43 -0.31 4.98 -0.21 0.31 -2.09 119.66 122.78 3kxf s GLN 218 Ca 0.26 -0.98 -0.07 0.00 0.02 0.00 0.00 55.36 54.59 3kxf s GLN 218 Cb -0.18 -1.56 0.01 0.00 1.00 0.00 0.00 33.01 32.29 3kxf s GLN 218 CO 0.15 0.40 0.10 0.50 -2.12 0.00 0.00 175.29 174.32 3kxf s ARG 219 N -1.23 3.04 -1.31 2.91 3.52 -0.21 -1.42 118.95 124.25 3kxf s ARG 219 Ca 0.08 -0.90 -0.10 0.00 -0.13 0.00 0.00 55.73 54.68 3kxf s ARG 219 Cb -0.09 -3.43 0.08 0.00 -1.56 0.00 0.00 34.95 29.95 3kxf s ARG 219 CO 0.02 -0.49 0.51 -0.25 -0.81 0.00 0.00 175.30 174.29 3kxf n ASP 220 N 4.88 -3.60 0.00 -2.12 8.00 -1.03 -1.02 116.55 121.65 3kxf n ASP 220 Ca -0.14 -0.45 0.00 0.00 0.71 0.00 0.00 54.79 54.91 3kxf n ASP 220 Cb 0.47 -2.98 0.00 0.00 -0.02 0.00 0.00 41.12 38.59 3kxf n ASP 220 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kxf n GLY 221 N -1.18 0.61 3.19 0.44 0.00 -1.26 -5.05 105.19 101.93 3kxf n GLY 221 Ca -0.00 -0.41 -0.34 0.00 0.00 0.00 0.00 46.02 45.27 3kxf n GLY 221 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kxf s GLU 222 N -0.89 2.96 0.20 1.61 0.41 -0.19 -5.06 118.70 117.74 3kxf s GLU 222 Ca 0.00 -0.88 -0.32 0.00 -0.41 0.00 0.00 54.97 53.36 3kxf s GLU 222 Cb 0.00 -2.85 -0.15 0.00 -1.78 0.00 0.00 34.13 29.35 3kxf s GLU 222 CO 0.00 -0.31 1.25 -0.25 -0.49 0.00 0.00 175.26 175.47 3kxf n ASP 223 N 4.67 1.89 -3.49 -0.19 8.00 -1.26 -1.04 116.55 125.12 3kxf n ASP 223 Ca -0.18 1.14 -0.32 0.00 0.71 0.00 0.00 54.79 56.14 3kxf n ASP 223 Cb 0.48 -1.30 -0.04 0.00 -0.02 0.00 0.00 41.12 40.24 3kxf n ASP 223 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kxf n GLN 224 N 1.82 3.45 -0.20 -1.24 1.13 -0.89 -4.86 117.38 116.59 3kxf n GLN 224 Ca 0.13 -4.69 -0.06 0.00 -1.94 0.00 0.00 57.00 50.45 3kxf n GLN 224 Cb 0.28 -2.34 0.04 0.00 0.11 0.00 0.00 30.24 28.33 3kxf n GLN 224 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 3kxf h THR 225 N 3.10 1.11 0.00 5.09 2.02 -1.91 -2.82 112.91 119.49 3kxf h THR 225 Ca 0.22 -0.25 -0.09 0.00 0.77 0.00 0.00 66.41 67.06 3kxf h THR 225 Cb 0.58 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 67.29 3kxf h THR 225 CO 0.99 0.13 -0.41 1.56 0.37 0.00 0.00 175.52 178.17 3kxf h GLN 226 N 0.73 0.00 -0.01 6.66 4.20 -2.00 -3.24 115.11 121.45 3kxf h GLN 226 Ca 0.22 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.93 3kxf h GLN 226 Cb -0.03 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.75 3kxf h GLN 226 CO -0.07 0.41 -0.66 -0.25 -0.67 0.00 0.00 178.83 177.58 3kxf n ASP 227 N -3.34 1.44 -4.58 1.46 9.92 -1.20 -4.88 116.55 115.37 3kxf n ASP 227 Ca 0.01 -1.22 -0.41 0.00 -0.53 0.00 0.00 54.79 52.64 3kxf n ASP 227 Cb 0.61 0.73 -0.03 0.00 -0.64 0.00 0.00 41.12 41.79 3kxf n ASP 227 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 3kxf s THR 228 N -2.55 3.56 -0.48 -3.53 2.01 -1.07 -4.52 115.64 109.07 3kxf s THR 228 Ca 0.12 0.49 -0.29 0.00 0.31 0.00 0.00 61.69 62.32 3kxf s THR 228 Cb 0.16 -4.01 0.03 0.00 0.01 0.00 0.00 72.50 68.68 3kxf s THR 228 CO 0.65 -0.82 1.18 -0.70 -0.69 0.00 0.00 174.62 174.24 3kxf s GLU 229 N 6.00 3.68 -0.17 4.92 2.12 0.07 -4.87 118.70 130.44 3kxf s GLU 229 Ca 0.66 0.57 0.01 0.00 0.36 0.00 0.00 54.97 56.57 3kxf s GLU 229 Cb -0.15 -3.93 0.03 0.00 0.26 0.00 0.00 34.13 30.33 3kxf s GLU 229 CO 0.27 -1.44 -0.13 -1.17 -0.54 0.00 0.00 175.26 172.24 3kxf s LEU 230 N 4.64 2.00 0.31 2.70 2.96 -1.26 0.22 118.68 130.25 3kxf s LEU 230 Ca 0.49 -0.68 -0.11 0.00 -0.22 0.00 0.00 54.13 53.62 3kxf s LEU 230 Cb -0.08 -1.24 -0.07 0.00 0.50 0.00 0.00 46.19 45.30 3kxf s LEU 230 CO 0.31 -0.09 0.66 0.68 -1.32 0.00 0.00 176.35 176.60 3kxf s VAL 231 N 1.42 4.84 0.42 1.68 -7.23 -1.16 -5.04 120.40 115.32 3kxf s VAL 231 Ca 0.02 0.59 -0.26 0.00 -1.81 0.00 0.00 61.98 60.52 3kxf s VAL 231 Cb -0.14 -3.66 -0.09 0.00 0.56 0.00 0.00 36.38 33.05 3kxf s VAL 231 CO -0.10 -0.25 1.47 -0.70 -0.31 0.00 0.00 175.10 175.21 3kxf s GLU 232 N -3.22 3.84 0.13 4.82 2.12 -1.26 -4.59 118.70 120.54 3kxf s GLU 232 Ca 0.50 2.51 -0.31 0.00 0.36 0.00 0.00 54.97 58.03 3kxf s GLU 232 Cb -0.11 -2.78 -0.10 0.00 0.26 0.00 0.00 34.13 31.41 3kxf s GLU 232 CO 0.24 -0.73 1.72 0.99 -0.54 0.00 0.00 175.26 176.94 3kxf s THR 233 N -1.16 2.61 0.26 -1.70 2.01 -1.26 -4.90 115.64 111.50 3kxf s THR 233 Ca 0.58 0.24 0.11 0.00 0.31 0.00 0.00 61.69 62.93 3kxf s THR 233 Cb -0.45 -3.15 -0.05 0.00 0.01 0.00 0.00 72.50 68.86 3kxf s THR 233 CO 0.60 0.01 -0.15 0.00 -0.69 0.00 0.00 174.62 174.39 3kxf s ARG 234 N 2.20 1.85 0.10 4.92 1.70 -0.90 -4.98 118.95 123.84 3kxf s ARG 234 Ca 0.76 -1.62 -0.27 0.00 -0.47 0.00 0.00 55.73 54.12 3kxf s ARG 234 Cb -0.44 -1.90 -0.06 0.00 -0.57 0.00 0.00 34.95 31.97 3kxf s ARG 234 CO 0.34 0.35 0.86 -1.25 -1.08 0.00 0.00 175.30 174.52 3kxf s PRO 235 N -3.43 4.61 0.29 3.89 0.04 -1.26 -1.75 135.00 137.39 3kxf s PRO 235 Ca 0.29 1.27 0.12 0.00 0.04 0.00 0.00 61.00 62.72 3kxf s PRO 235 Cb -0.06 -3.35 0.39 0.00 0.04 0.00 0.00 34.50 31.52 3kxf s PRO 235 CO 0.16 0.30 1.62 0.00 0.04 0.00 0.00 177.00 179.12 3kxf h ALA 236 N 5.38 0.95 0.00 8.56 0.00 -1.46 -3.46 119.26 129.23 3kxf h ALA 236 Ca -0.44 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 53.94 3kxf h ALA 236 Cb 1.21 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3kxf h ALA 236 CO 0.71 0.73 0.00 0.41 0.00 0.00 0.00 179.25 181.09 3kxf n GLY 237 N 0.30 2.20 2.24 0.00 0.00 -1.26 -4.90 105.19 103.78 3kxf n GLY 237 Ca -0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.73 3kxf n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kxf n ASP 238 N 0.00 5.51 0.00 1.61 5.68 -1.26 -4.90 116.55 123.19 3kxf n ASP 238 Ca 0.00 -3.70 0.00 0.00 -0.50 0.00 0.00 54.79 50.59 3kxf n ASP 238 Cb 0.00 -0.89 0.00 0.00 -1.14 0.00 0.00 41.12 39.09 3kxf n ASP 238 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3kxf n ARG 239 N -1.04 -0.19 -3.11 0.11 1.74 -1.26 -5.01 116.66 107.90 3kxf n ARG 239 Ca 0.60 0.05 -0.20 0.00 -0.77 0.00 0.00 57.85 57.53 3kxf n ARG 239 Cb 1.19 -3.36 0.05 0.00 -1.02 0.00 0.00 32.46 29.33 3kxf n ARG 239 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3kxf s THR 240 N -2.58 2.12 0.03 0.55 -4.23 -1.26 -4.93 115.64 105.34 3kxf s THR 240 Ca 0.00 -1.04 0.03 0.00 -1.18 0.00 0.00 61.69 59.49 3kxf s THR 240 Cb 0.00 -2.16 -0.02 0.00 1.34 0.00 0.00 72.50 71.66 3kxf s THR 240 CO 0.00 0.00 -0.09 -0.36 -0.54 0.00 0.00 174.62 173.63 3kxf s PHE 241 N -2.67 0.79 0.11 3.99 0.40 -0.28 -1.14 117.98 119.18 3kxf s PHE 241 Ca 0.59 -0.38 0.08 0.00 -0.60 0.00 0.00 56.93 56.63 3kxf s PHE 241 Cb -0.05 -0.47 -0.04 0.00 0.51 0.00 0.00 43.02 42.97 3kxf s PHE 241 CO 0.37 -0.03 -0.21 -0.65 0.70 0.00 0.00 175.22 175.40 3kxf s GLN 242 N -1.20 1.15 0.11 0.44 -0.21 -0.71 -1.46 119.66 117.78 3kxf s GLN 242 Ca -0.04 -1.18 -0.22 0.00 0.02 0.00 0.00 55.36 53.93 3kxf s GLN 242 Cb -0.08 -1.42 0.06 0.00 1.00 0.00 0.00 33.01 32.57 3kxf s GLN 242 CO 0.01 0.33 0.55 0.21 -2.12 0.00 0.00 175.29 174.26 3kxf s LYS 243 N -1.94 1.16 0.12 2.91 2.20 -0.17 -2.12 119.74 121.89 3kxf s LYS 243 Ca 0.07 -0.40 -0.13 0.00 -0.36 0.00 0.00 55.97 55.15 3kxf s LYS 243 Cb -0.10 0.53 0.02 0.00 -1.51 0.00 0.00 37.83 36.77 3kxf s LYS 243 CO 0.04 -0.47 0.31 1.67 -0.36 0.00 0.00 175.35 176.55 3kxf s TRP 244 N -3.24 -0.02 -0.05 4.03 1.48 -1.26 -0.47 118.94 119.41 3kxf s TRP 244 Ca -0.01 -0.34 0.00 0.00 -1.06 0.00 0.00 56.10 54.69 3kxf s TRP 244 Cb -0.00 0.12 0.03 0.00 -1.16 0.00 0.00 33.47 32.45 3kxf s TRP 244 CO -0.08 -0.65 -0.02 0.00 -4.06 0.00 0.00 176.95 172.14 3kxf s ALA 245 N -3.84 0.55 0.00 2.67 0.00 -0.73 -3.01 121.76 117.41 3kxf s ALA 245 Ca 0.05 0.01 0.07 0.00 0.00 0.00 0.00 51.96 52.09 3kxf s ALA 245 Cb 0.03 -0.47 -0.02 0.00 0.00 0.00 0.00 23.12 22.66 3kxf s ALA 245 CO -0.11 -0.15 -0.22 0.00 0.00 0.00 0.00 175.76 175.28 3kxf s ALA 246 N 1.22 1.86 0.30 0.00 0.00 0.13 -0.33 121.76 124.95 3kxf s ALA 246 Ca -0.07 -1.01 0.08 0.00 0.00 0.00 0.00 51.96 50.97 3kxf s ALA 246 Cb -0.14 -0.44 -0.06 0.00 0.00 0.00 0.00 23.12 22.48 3kxf s ALA 246 CO -0.02 0.45 -0.09 0.14 0.00 0.00 0.00 175.76 176.24 3kxf s VAL 247 N -0.61 1.99 -0.18 0.00 -7.23 0.73 -0.75 120.40 114.35 3kxf s VAL 247 Ca 0.09 -2.19 0.00 0.00 -1.81 0.00 0.00 61.98 58.07 3kxf s VAL 247 Cb -0.09 -2.50 0.01 0.00 0.56 0.00 0.00 36.38 34.37 3kxf s VAL 247 CO 0.00 -0.28 -0.17 -0.69 -0.31 0.00 0.00 175.10 173.65 3kxf s VAL 248 N -2.79 2.34 0.11 1.32 1.01 -1.26 -0.12 120.40 121.02 3kxf s VAL 248 Ca 0.30 -0.85 0.10 0.00 0.00 0.00 0.00 61.98 61.53 3kxf s VAL 248 Cb 0.02 -2.00 -0.04 0.00 0.00 0.00 0.00 36.38 34.37 3kxf s VAL 248 CO 0.14 0.52 -0.24 0.68 0.00 0.00 0.00 175.10 176.20 3kxf s VAL 249 N 1.25 2.00 0.84 2.92 -7.23 0.10 -4.83 120.40 115.44 3kxf s VAL 249 Ca 0.03 -1.62 -0.12 0.00 -1.81 0.00 0.00 61.98 58.46 3kxf s VAL 249 Cb -0.14 -1.78 0.10 0.00 0.56 0.00 0.00 36.38 35.13 3kxf s VAL 249 CO -0.09 0.05 1.18 -2.84 -0.31 0.00 0.00 175.10 173.08 3kxf s PRO 250 N -1.90 1.47 0.06 4.82 0.02 -1.26 -1.02 135.00 137.19 3kxf s PRO 250 Ca 0.10 1.65 -0.11 0.00 0.02 0.00 0.00 61.00 62.66 3kxf s PRO 250 Cb -0.10 -1.77 -0.03 0.00 0.02 0.00 0.00 34.50 32.63 3kxf s PRO 250 CO 0.05 -2.32 0.77 0.45 -0.33 0.00 0.00 177.00 175.62 3kxf n SER 251 N -3.63 -0.38 -0.13 2.53 2.88 0.38 -2.05 113.62 113.22 3kxf n SER 251 Ca 0.13 0.86 0.05 0.00 -1.33 0.00 0.00 58.87 58.57 3kxf n SER 251 Cb 0.51 -0.19 -0.02 0.00 -0.75 0.00 0.00 64.21 63.76 3kxf n SER 251 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3kxf n GLY 252 N -1.09 -0.04 2.50 0.46 0.00 -1.26 -4.76 105.19 101.00 3kxf n GLY 252 Ca 0.01 -0.28 -0.32 0.00 0.00 0.00 0.00 46.02 45.43 3kxf n GLY 252 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kxf n GLU 253 N -0.67 3.25 -0.06 1.61 1.02 -0.87 -4.39 120.64 120.53 3kxf n GLU 253 Ca 0.03 -2.83 -0.20 0.00 -0.02 0.00 0.00 57.16 54.14 3kxf n GLU 253 Cb 0.18 -2.32 -0.13 0.00 -0.02 0.00 0.00 31.44 29.15 3kxf n GLU 253 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3kxf n GLU 254 N 1.09 0.70 -2.30 3.49 1.02 -1.26 -4.31 120.64 119.07 3kxf n GLU 254 Ca 0.54 0.23 -0.37 0.00 -0.02 0.00 0.00 57.16 57.54 3kxf n GLU 254 Cb 0.43 -1.62 -0.01 0.00 -0.02 0.00 0.00 31.44 30.22 3kxf n GLU 254 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 3kxf s GLN 255 N -2.53 3.80 0.00 3.49 -1.52 -1.26 -2.88 119.66 118.76 3kxf s GLN 255 Ca -0.29 1.74 0.00 0.00 -1.95 0.00 0.00 55.36 54.86 3kxf s GLN 255 Cb 0.08 -2.41 0.00 0.00 -0.22 0.00 0.00 33.01 30.46 3kxf s GLN 255 CO 0.67 -0.51 0.00 0.54 -0.25 0.00 0.00 175.29 175.75 3kxf n ARG 256 N -0.46 0.00 -3.76 2.91 1.74 -1.26 -5.04 116.66 110.79 3kxf n ARG 256 Ca 0.07 0.02 -0.36 0.00 -0.77 0.00 0.00 57.85 56.81 3kxf n ARG 256 Cb 0.48 -2.54 -0.12 0.00 -1.02 0.00 0.00 32.46 29.26 3kxf n ARG 256 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3kxf s TYR 257 N -2.00 3.12 0.05 -1.55 1.51 -1.14 -2.48 117.35 114.86 3kxf s TYR 257 Ca 0.00 -0.30 0.08 0.00 -1.01 0.00 0.00 57.07 55.84 3kxf s TYR 257 Cb 0.00 -2.24 -0.03 0.00 -0.11 0.00 0.00 41.96 39.58 3kxf s TYR 257 CO 0.00 -0.28 -0.20 0.95 -1.11 0.00 0.00 175.55 174.91 3kxf s THR 258 N 1.51 2.68 -0.23 -0.71 -4.23 -0.51 -4.49 115.64 109.66 3kxf s THR 258 Ca 0.06 -1.25 -0.06 0.00 -1.18 0.00 0.00 61.69 59.26 3kxf s THR 258 Cb -0.15 -2.12 -0.02 0.00 1.34 0.00 0.00 72.50 71.54 3kxf s THR 258 CO 0.05 0.32 0.04 0.00 -0.54 0.00 0.00 174.62 174.49 3kxf s HIS 260 N 1.45 3.21 -0.08 0.00 3.76 0.12 -0.90 115.29 122.85 3kxf s HIS 260 Ca 0.05 -0.03 0.05 0.00 -0.15 0.00 0.00 55.06 54.98 3kxf s HIS 260 Cb -0.15 -2.16 -0.00 0.00 1.11 0.00 0.00 32.58 31.38 3kxf s HIS 260 CO 0.02 -0.01 -0.24 0.08 -0.85 0.00 0.00 174.74 173.75 3kxf s VAL 261 N 0.86 2.00 0.01 -0.90 1.01 -0.09 -1.26 120.40 122.03 3kxf s VAL 261 Ca 0.04 -1.00 0.07 0.00 0.00 0.00 0.00 61.98 61.09 3kxf s VAL 261 Cb -0.13 -1.72 -0.02 0.00 0.00 0.00 0.00 36.38 34.51 3kxf s VAL 261 CO 0.03 0.55 -0.20 -1.10 0.00 0.00 0.00 175.10 174.37 3kxf s GLN 262 N 0.18 1.54 -0.16 2.72 -0.21 -0.54 -0.38 119.66 122.82 3kxf s GLN 262 Ca -0.13 -0.81 -0.29 0.00 0.02 0.00 0.00 55.36 54.15 3kxf s GLN 262 Cb -0.16 -1.55 0.11 0.00 1.00 0.00 0.00 33.01 32.41 3kxf s GLN 262 CO 0.07 0.41 0.92 -1.58 -2.12 0.00 0.00 175.29 172.99 3kxf s HIS 263 N -0.60 -0.47 0.63 0.91 2.46 -1.26 -1.30 115.29 115.65 3kxf s HIS 263 Ca 0.08 0.87 0.33 0.00 0.47 0.00 0.00 55.06 56.81 3kxf s HIS 263 Cb -0.08 0.42 1.82 0.00 -0.13 0.00 0.00 32.58 34.61 3kxf s HIS 263 CO 0.00 -0.39 2.11 1.49 -2.47 0.00 0.00 174.74 175.48 3kxf h GLU 264 N 2.99 0.00 0.00 2.88 4.81 -1.92 -2.64 114.58 120.70 3kxf h GLU 264 Ca -0.22 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 58.83 3kxf h GLU 264 Cb 1.16 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.51 3kxf h GLU 264 CO 0.29 0.00 -1.68 0.41 -0.73 0.00 0.00 179.01 177.30 3kxf n GLY 265 N -1.29 -1.13 3.72 1.92 0.00 -1.26 -4.89 105.19 102.26 3kxf n GLY 265 Ca -0.00 -0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 3kxf n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kxf s LEU 266 N -5.52 4.39 0.13 0.99 1.43 -1.00 -4.67 118.68 114.43 3kxf s LEU 266 Ca -0.05 2.31 -0.22 0.00 -1.03 0.00 0.00 54.13 55.15 3kxf s LEU 266 Cb 0.09 -3.59 -0.03 0.00 0.03 0.00 0.00 46.19 42.68 3kxf s LEU 266 CO 0.83 -0.58 1.68 -0.65 0.23 0.00 0.00 176.35 177.87 3kxf h PRO 267 N 6.25 -0.12 -4.53 1.29 0.11 -1.90 -3.45 132.00 129.66 3kxf h PRO 267 Ca -0.43 0.01 -0.27 0.00 0.11 0.00 0.00 66.00 65.42 3kxf h PRO 267 Cb 1.21 0.03 -0.21 0.00 0.11 0.00 0.00 31.00 32.13 3kxf h PRO 267 CO 0.82 -0.08 -0.73 0.15 -0.21 0.00 0.00 178.00 177.95 3kxf s LYS 268 N -6.17 0.51 0.04 1.05 1.02 -1.26 -5.13 119.74 109.81 3kxf s LYS 268 Ca -0.14 -0.73 -0.36 0.00 0.02 0.00 0.00 55.97 54.76 3kxf s LYS 268 Cb 0.10 -0.28 -0.15 0.00 -0.52 0.00 0.00 37.83 36.99 3kxf s LYS 268 CO 0.68 0.05 1.57 -0.35 -0.92 0.00 0.00 175.35 176.37 3kxf n PRO 269 N 1.52 1.69 -2.84 -1.68 -0.04 -1.26 -4.92 135.00 127.47 3kxf n PRO 269 Ca -0.23 0.61 -0.41 0.00 -0.04 0.00 0.00 63.50 63.44 3kxf n PRO 269 Cb 0.55 -2.34 -0.04 0.00 -0.04 0.00 0.00 33.50 31.62 3kxf n PRO 269 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3kxf s LEU 270 N 1.59 4.42 -0.33 1.53 1.43 0.49 -4.87 118.68 122.94 3kxf s LEU 270 Ca 0.85 1.57 -0.03 0.00 -1.03 0.00 0.00 54.13 55.50 3kxf s LEU 270 Cb -0.82 -3.41 0.06 0.00 0.03 0.00 0.00 46.19 42.04 3kxf s LEU 270 CO 0.46 -0.11 0.05 -0.89 0.23 0.00 0.00 176.35 176.10 3kxf s THR 271 N 0.39 3.15 -0.11 5.49 2.01 -1.26 -0.91 115.64 124.41 3kxf s THR 271 Ca 0.45 -1.48 -0.02 0.00 0.31 0.00 0.00 61.69 60.94 3kxf s THR 271 Cb -0.21 -2.88 -0.03 0.00 0.01 0.00 0.00 72.50 69.39 3kxf s THR 271 CO 0.26 -0.23 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.18 3kxf s LEU 272 N 1.25 3.44 0.00 4.42 1.43 -0.08 -4.95 118.68 124.20 3kxf s LEU 272 Ca -0.02 0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.13 3kxf s LEU 272 Cb -0.20 -1.80 0.00 0.00 0.03 0.00 0.00 46.19 44.22 3kxf s LEU 272 CO -0.01 0.31 0.00 0.54 0.23 0.00 0.00 176.35 177.42 3kxf n ARG 273 N 2.58 1.47 0.00 1.70 1.74 -1.26 0.00 116.66 122.89 3kxf n ARG 273 Ca -0.18 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.90 3kxf n ARG 273 Cb 0.53 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.97 3kxf n ARG 273 CO 0.00 0.00 0.00 1.87 -1.52 0.00 0.00 177.63 177.98 3kxf n TRP 274 N -0.70 0.00 -3.92 -1.55 -0.00 -1.26 -4.72 117.44 105.29 3kxf n TRP 274 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 57.50 57.20 3kxf n TRP 274 Cb 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 31.31 31.16 3kxf n TRP 274 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 177.69 175.86 3kxf s GLU 275 N 0.00 1.43 0.00 5.87 4.04 -1.26 -4.81 118.70 123.97 3kxf s GLU 275 Ca 0.00 -1.17 0.11 0.00 0.04 0.00 0.00 54.97 53.94 3kxf s GLU 275 Cb 0.00 -2.60 0.63 0.00 0.02 0.00 0.00 34.13 32.18 3kxf s GLU 275 CO 0.00 -0.73 1.07 -0.35 -1.84 0.00 0.00 175.26 173.40