#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 3.52 0.71 1.61 1.04 -1.26 -4.96 113.70 114.37 3kxf s SER 2 Ca 0.00 -1.26 -0.15 0.00 0.48 0.00 0.00 55.95 55.02 3kxf s SER 2 Cb 0.00 -0.71 0.03 0.00 0.10 0.00 0.00 66.02 65.44 3kxf s SER 2 CO 0.00 -0.37 1.18 -1.00 0.98 0.00 0.00 173.24 174.03 3kxf s HIS 3 N 1.76 2.20 0.27 5.02 0.09 -1.26 -4.62 115.29 118.76 3kxf s HIS 3 Ca 0.05 1.59 0.04 0.00 -0.00 0.00 0.00 55.06 56.74 3kxf s HIS 3 Cb -0.17 -3.39 -0.06 0.00 -0.00 0.00 0.00 32.58 28.96 3kxf s HIS 3 CO -0.19 -2.36 0.01 -1.54 -0.00 0.00 0.00 174.74 170.66 3kxf s SER 4 N -2.18 2.13 -0.06 1.40 1.04 -1.26 -2.80 113.70 111.96 3kxf s SER 4 Ca 0.72 -1.28 0.02 0.00 0.48 0.00 0.00 55.95 55.90 3kxf s SER 4 Cb -0.27 -0.04 0.01 0.00 0.10 0.00 0.00 66.02 65.82 3kxf s SER 4 CO 0.44 -0.53 -0.12 -0.32 0.98 0.00 0.00 173.24 173.69 3kxf s MET 5 N -3.86 1.65 -0.01 4.02 -2.45 -1.04 -1.09 119.30 116.52 3kxf s MET 5 Ca 0.32 -0.42 0.02 0.00 -1.25 0.00 0.00 55.69 54.36 3kxf s MET 5 Cb 0.07 -1.38 0.00 0.00 1.25 0.00 0.00 34.83 34.77 3kxf s MET 5 CO 0.12 0.05 -0.06 1.03 1.05 0.00 0.00 175.02 177.21 3kxf s ARG 6 N 0.57 0.59 -0.09 4.11 1.81 -0.02 -2.48 118.95 123.45 3kxf s ARG 6 Ca -0.13 -0.21 0.04 0.00 -1.72 0.00 0.00 55.73 53.71 3kxf s ARG 6 Cb -0.15 -0.58 -0.00 0.00 -0.45 0.00 0.00 34.95 33.76 3kxf s ARG 6 CO 0.03 0.10 -0.23 0.71 -0.68 0.00 0.00 175.30 175.23 3kxf s TYR 7 N 0.06 2.56 -0.31 -0.53 1.51 0.08 0.44 117.35 121.15 3kxf s TYR 7 Ca -0.00 -0.96 0.00 0.00 -1.01 0.00 0.00 57.07 55.10 3kxf s TYR 7 Cb -0.05 -1.70 0.07 0.00 -0.11 0.00 0.00 41.96 40.17 3kxf s TYR 7 CO -0.00 -0.37 -0.00 -0.06 -1.11 0.00 0.00 175.55 174.01 3kxf s PHE 8 N 0.25 3.38 -0.05 2.71 0.40 0.55 -1.95 117.98 123.27 3kxf s PHE 8 Ca -0.16 -2.25 -0.17 0.00 -0.60 0.00 0.00 56.93 53.75 3kxf s PHE 8 Cb -0.17 -2.32 -0.05 0.00 0.51 0.00 0.00 43.02 40.99 3kxf s PHE 8 CO 0.08 -0.87 0.45 0.71 0.70 0.00 0.00 175.22 176.29 3kxf s TYR 9 N 1.14 3.64 -0.10 0.36 2.02 0.26 -1.41 117.35 123.25 3kxf s TYR 9 Ca -0.02 0.97 -0.00 0.00 -0.37 0.00 0.00 57.07 57.65 3kxf s TYR 9 Cb -0.20 -2.43 0.02 0.00 -0.40 0.00 0.00 41.96 38.95 3kxf s TYR 9 CO -0.04 0.41 -0.08 0.99 -1.57 0.00 0.00 175.55 175.27 3kxf s THR 10 N -0.28 0.99 -0.15 -0.71 2.01 0.14 -0.42 115.64 117.21 3kxf s THR 10 Ca 0.25 -0.28 0.02 0.00 0.31 0.00 0.00 61.69 61.98 3kxf s THR 10 Cb -0.16 -1.00 0.01 0.00 0.01 0.00 0.00 72.50 71.36 3kxf s THR 10 CO 0.12 0.36 -0.20 0.00 -0.69 0.00 0.00 174.62 174.21 3kxf s ALA 11 N 1.55 2.20 -0.12 7.40 0.00 0.10 -1.53 121.76 131.36 3kxf s ALA 11 Ca 0.02 -1.09 0.02 0.00 0.00 0.00 0.00 51.96 50.91 3kxf s ALA 11 Cb -0.13 -1.05 0.01 0.00 0.00 0.00 0.00 23.12 21.95 3kxf s ALA 11 CO -0.06 -0.18 -0.18 1.41 0.00 0.00 0.00 175.76 176.75 3kxf s MET 12 N 1.05 2.55 0.36 0.00 1.75 -0.24 -1.11 119.30 123.67 3kxf s MET 12 Ca -0.02 -0.68 -0.23 0.00 -1.25 0.00 0.00 55.69 53.51 3kxf s MET 12 Cb -0.14 -2.11 -0.10 0.00 2.84 0.00 0.00 34.83 35.32 3kxf s MET 12 CO -0.07 -0.03 0.91 -1.54 -0.65 0.00 0.00 175.02 173.65 3kxf s SER 13 N 0.88 7.13 -0.08 1.11 1.04 0.05 -0.46 113.70 123.36 3kxf s SER 13 Ca -0.08 1.71 -0.05 0.00 0.48 0.00 0.00 55.95 58.02 3kxf s SER 13 Cb -0.15 -2.54 -0.04 0.00 0.10 0.00 0.00 66.02 63.39 3kxf s SER 13 CO -0.01 -0.18 0.12 -0.13 0.98 0.00 0.00 173.24 174.02 3kxf s ARG 14 N -2.54 3.33 0.16 4.02 0.52 -1.26 -3.80 118.95 119.37 3kxf s ARG 14 Ca 0.54 -0.24 0.22 0.00 -0.52 0.00 0.00 55.73 55.73 3kxf s ARG 14 Cb -0.14 -3.08 -0.06 0.00 0.52 0.00 0.00 34.95 32.19 3kxf s ARG 14 CO 0.19 0.74 0.94 -0.35 0.02 0.00 0.00 175.30 176.84 3kxf n PRO 15 N 1.75 0.61 0.00 3.54 -0.04 -1.26 -4.85 135.00 134.76 3kxf n PRO 15 Ca -0.18 0.10 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 3kxf n PRO 15 Cb 0.54 -1.79 0.00 0.00 -0.04 0.00 0.00 33.50 32.21 3kxf n PRO 15 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3kxf n GLY 16 N 1.22 0.74 3.07 0.55 0.00 -1.26 -4.89 105.19 104.62 3kxf n GLY 16 Ca -0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 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 0.24 0.22 0.00 1.61 3.52 -1.26 -5.14 118.95 118.14 3kxf s ARG 17 Ca 0.00 0.36 0.00 0.00 -0.13 0.00 0.00 55.73 55.96 3kxf s ARG 17 Cb 0.00 0.03 0.00 0.00 -1.56 0.00 0.00 34.95 33.42 3kxf s ARG 17 CO 0.00 -0.08 0.00 0.41 -0.81 0.00 0.00 175.30 174.82 3kxf n GLY 18 N 3.42 2.90 3.83 8.12 0.00 -1.26 -5.07 105.19 117.13 3kxf n GLY 18 Ca -0.17 -1.98 -0.32 0.00 0.00 0.00 0.00 46.02 43.55 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 -2.12 3.96 0.40 1.61 2.02 -1.26 -4.76 118.70 118.54 3kxf s GLU 19 Ca 0.00 1.03 -0.26 0.00 0.02 0.00 0.00 54.97 55.76 3kxf s GLU 19 Cb 0.00 -2.14 -0.11 0.00 0.10 0.00 0.00 34.13 31.99 3kxf s GLU 19 CO 0.00 -0.27 1.15 -2.30 0.02 0.00 0.00 175.26 173.87 3kxf n PRO 20 N -1.39 1.69 -3.77 0.39 -0.02 -1.26 -4.71 135.00 125.94 3kxf n PRO 20 Ca 0.07 0.60 -0.37 0.00 -2.02 0.00 0.00 63.50 61.78 3kxf n PRO 20 Cb 0.54 -2.20 -0.07 0.00 -0.02 0.00 0.00 33.50 31.76 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 -2.03 3.76 -0.17 -0.52 3.52 0.39 -4.95 118.95 118.95 3kxf s ARG 21 Ca 0.61 -0.07 -0.01 0.00 -0.13 0.00 0.00 55.73 56.13 3kxf s ARG 21 Cb -0.55 -3.27 -0.00 0.00 -1.56 0.00 0.00 34.95 29.56 3kxf s ARG 21 CO 0.58 0.60 -0.14 0.12 -0.81 0.00 0.00 175.30 175.65 3kxf s PHE 22 N -0.54 2.82 -0.10 5.12 5.36 -1.26 -1.08 117.98 128.30 3kxf s PHE 22 Ca 0.14 -1.10 0.02 0.00 -0.96 0.00 0.00 56.93 55.04 3kxf s PHE 22 Cb -0.12 -1.94 0.01 0.00 -0.34 0.00 0.00 43.02 40.63 3kxf s PHE 22 CO 0.04 -0.53 -0.15 0.42 -1.46 0.00 0.00 175.22 173.54 3kxf s ILE 23 N 1.00 1.46 -0.03 3.12 1.01 -0.58 -1.43 121.20 125.76 3kxf s ILE 23 Ca -0.01 -0.63 0.06 0.00 0.00 0.00 0.00 60.65 60.07 3kxf s ILE 23 Cb -0.15 -1.34 -0.01 0.00 0.01 0.00 0.00 42.46 40.97 3kxf s ILE 23 CO -0.03 0.43 -0.21 0.00 0.00 0.00 0.00 174.94 175.13 3kxf s ALA 24 N 0.94 1.79 0.12 9.38 0.00 -0.76 -0.69 121.76 132.54 3kxf s ALA 24 Ca -0.08 -0.90 0.05 0.00 0.00 0.00 0.00 51.96 51.03 3kxf s ALA 24 Cb -0.15 -0.49 -0.04 0.00 0.00 0.00 0.00 23.12 22.44 3kxf s ALA 24 CO -0.01 0.41 -0.12 0.14 0.00 0.00 0.00 175.76 176.18 3kxf s VAL 25 N -0.38 1.23 -0.01 0.00 -7.23 -0.50 -1.19 120.40 112.31 3kxf s VAL 25 Ca 0.05 -1.78 0.06 0.00 -1.81 0.00 0.00 61.98 58.50 3kxf s VAL 25 Cb -0.09 -1.56 -0.01 0.00 0.56 0.00 0.00 36.38 35.27 3kxf s VAL 25 CO 0.00 -0.51 -0.19 -0.83 -0.31 0.00 0.00 175.10 173.26 3kxf s GLY 26 N -2.61 0.92 -0.00 2.32 0.00 0.31 -0.33 107.32 107.94 3kxf s GLY 26 Ca 0.10 -0.81 0.05 0.00 0.00 0.00 0.00 44.72 44.05 3kxf s GLY 26 CO 0.02 -0.68 -0.16 -0.19 0.00 0.00 0.00 173.10 172.09 3kxf s TYR 27 N -0.46 1.38 -0.29 1.90 1.51 0.17 -1.78 117.35 119.78 3kxf s TYR 27 Ca 0.07 -0.28 -0.04 0.00 -1.01 0.00 0.00 57.07 55.81 3kxf s TYR 27 Cb -0.07 -0.88 0.03 0.00 -0.11 0.00 0.00 41.96 40.93 3kxf s TYR 27 CO -0.01 -0.01 0.02 0.08 -1.11 0.00 0.00 175.55 174.53 3kxf s VAL 28 N -0.45 3.34 0.00 0.71 1.01 -0.05 -0.84 120.40 124.12 3kxf s VAL 28 Ca 0.05 -1.06 0.00 0.00 0.00 0.00 0.00 61.98 60.98 3kxf s VAL 28 Cb -0.06 -2.80 0.00 0.00 0.00 0.00 0.00 36.38 33.52 3kxf s VAL 28 CO -0.00 0.02 0.00 0.47 0.00 0.00 0.00 175.10 175.59 3kxf n ASP 29 N 4.73 0.00 -0.47 3.32 8.00 -0.25 -0.69 116.55 131.19 3kxf n ASP 29 Ca -0.14 0.00 0.07 0.00 0.71 0.00 0.00 54.79 55.43 3kxf n ASP 29 Cb 0.46 0.00 0.18 0.00 -0.02 0.00 0.00 41.12 41.74 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 5.75 2.34 -4.12 -2.24 8.00 -1.26 -4.91 116.55 120.11 3kxf n ASP 30 Ca 0.00 -3.43 -0.33 0.00 0.71 0.00 0.00 54.79 51.74 3kxf n ASP 30 Cb 0.00 -0.50 -0.16 0.00 -0.02 0.00 0.00 41.12 40.44 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 -3.03 2.08 0.06 -3.53 2.01 0.13 -5.01 115.64 108.35 3kxf s THR 31 Ca 0.37 -1.01 -0.27 0.00 0.31 0.00 0.00 61.69 61.09 3kxf s THR 31 Cb 0.33 -1.91 -0.05 0.00 0.01 0.00 0.00 72.50 70.88 3kxf s THR 31 CO 0.00 0.48 0.84 -1.58 -0.69 0.00 0.00 174.62 173.67 3kxf s GLN 32 N 1.27 4.57 0.00 4.92 0.74 -1.26 -0.87 119.66 129.03 3kxf s GLN 32 Ca 0.04 1.21 0.00 0.00 0.05 0.00 0.00 55.36 56.65 3kxf s GLN 32 Cb -0.14 -3.38 0.00 0.00 1.10 0.00 0.00 33.01 30.60 3kxf s GLN 32 CO -0.12 0.23 0.00 1.97 -0.55 0.00 0.00 175.29 176.82 3kxf n PHE 33 N 2.90 0.00 -3.75 1.67 -1.74 -0.73 -3.40 117.46 112.41 3kxf n PHE 33 Ca -0.00 0.00 -0.13 0.00 -0.56 0.00 0.00 57.45 56.76 3kxf n PHE 33 Cb 0.50 0.00 -0.11 0.00 1.52 0.00 0.00 39.48 41.39 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 -0.84 -0.00 0.17 1.97 0.11 -1.24 -0.36 120.40 120.20 3kxf s VAL 34 Ca 0.00 0.02 0.00 0.00 -2.93 0.00 0.00 61.98 59.07 3kxf s VAL 34 Cb 0.00 -0.49 -0.04 0.00 -1.53 0.00 0.00 36.38 34.32 3kxf s VAL 34 CO 0.00 0.01 0.06 0.00 -3.33 0.00 0.00 175.10 171.83 3kxf s ARG 35 N 0.34 1.09 -0.27 1.54 1.70 -0.96 -0.53 118.95 121.85 3kxf s ARG 35 Ca -0.01 -1.54 -0.22 0.00 -0.47 0.00 0.00 55.73 53.49 3kxf s ARG 35 Cb -0.03 0.04 0.07 0.00 -0.57 0.00 0.00 34.95 34.46 3kxf s ARG 35 CO -0.01 -0.25 0.72 0.12 -1.08 0.00 0.00 175.30 174.80 3kxf s PHE 36 N -3.92 -0.87 -0.09 5.89 2.19 -0.33 -1.94 117.98 118.91 3kxf s PHE 36 Ca 0.28 1.98 -0.03 0.00 0.33 0.00 0.00 56.93 59.49 3kxf s PHE 36 Cb 0.07 0.39 0.05 0.00 -1.31 0.00 0.00 43.02 42.22 3kxf s PHE 36 CO 0.06 -0.42 0.15 0.34 1.83 0.00 0.00 175.22 177.17 3kxf s ASP 37 N 0.79 0.84 0.56 6.13 2.15 -1.26 -1.83 116.67 124.05 3kxf s ASP 37 Ca -0.03 0.27 0.35 0.00 0.43 0.00 0.00 52.55 53.57 3kxf s ASP 37 Cb -0.05 0.23 1.54 0.00 -0.30 0.00 0.00 42.92 44.34 3kxf s ASP 37 CO -0.06 -0.25 2.05 0.77 -0.17 0.00 0.00 175.17 177.51 3kxf h SER 38 N 8.37 0.00 1.48 -0.34 4.64 -1.64 -2.56 113.55 123.50 3kxf h SER 38 Ca -0.13 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.18 3kxf h SER 38 Cb 1.12 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.21 3kxf h SER 38 CO 0.15 0.03 -0.03 0.44 -0.87 0.00 0.00 176.83 176.54 3kxf h ASP 39 N 0.00 0.00 -2.87 4.97 5.19 -1.94 -3.45 116.42 118.33 3kxf h ASP 39 Ca -0.00 0.00 -0.59 0.00 -0.62 0.00 0.00 57.03 55.82 3kxf h ASP 39 Cb 0.42 0.00 0.14 0.00 0.18 0.00 0.00 39.33 40.07 3kxf h ASP 39 CO 0.00 0.03 0.00 0.00 -3.12 0.00 0.00 179.24 176.16 3kxf n ALA 40 N -2.11 -0.30 -0.12 3.45 0.00 -0.96 -4.90 120.51 115.56 3kxf n ALA 40 Ca 0.02 0.20 -0.07 0.00 0.00 0.00 0.00 53.44 53.59 3kxf n ALA 40 Cb 0.43 -2.00 -0.05 0.00 0.00 0.00 0.00 19.45 17.83 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 1.28 -0.49 -3.39 0.00 0.00 -1.90 -3.20 119.26 111.56 3kxf h ALA 41 Ca -0.43 0.02 -0.64 0.00 0.00 0.00 0.00 54.91 53.86 3kxf h ALA 41 Cb 1.36 1.02 -0.40 0.00 0.00 0.00 0.00 17.79 19.76 3kxf h ALA 41 CO 0.55 -0.66 -0.69 -1.54 0.00 0.00 0.00 179.25 176.91 3kxf s SER 42 N -4.10 4.32 0.18 0.00 1.04 -1.26 -5.11 113.70 108.77 3kxf s SER 42 Ca -0.07 -2.50 -0.33 0.00 0.48 0.00 0.00 55.95 53.52 3kxf s SER 42 Cb 0.05 -1.45 -0.15 0.00 0.10 0.00 0.00 66.02 64.58 3kxf s SER 42 CO 0.34 -0.31 1.33 -2.65 0.98 0.00 0.00 173.24 172.92 3kxf n PRO 43 N 3.76 1.57 -3.81 4.02 -0.02 -1.21 -5.01 135.00 134.31 3kxf n PRO 43 Ca 0.04 0.56 -0.12 0.00 -2.02 0.00 0.00 63.50 61.96 3kxf n PRO 43 Cb 0.37 -2.17 -0.12 0.00 -0.02 0.00 0.00 33.50 31.56 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 -0.07 0.27 0.01 -0.52 0.52 -1.26 -5.05 118.95 112.84 3kxf s ARG 44 Ca 0.74 0.22 -0.30 0.00 -0.52 0.00 0.00 55.73 55.87 3kxf s ARG 44 Cb -0.78 0.13 -0.07 0.00 0.52 0.00 0.00 34.95 34.75 3kxf s ARG 44 CO 0.49 -0.04 1.59 0.99 0.02 0.00 0.00 175.30 178.35 3kxf s THR 45 N -0.03 3.38 0.05 0.02 2.01 -1.26 -4.67 115.64 115.14 3kxf s THR 45 Ca -0.01 0.71 0.08 0.00 0.31 0.00 0.00 61.69 62.78 3kxf s THR 45 Cb -0.02 -3.46 -0.03 0.00 0.01 0.00 0.00 72.50 69.00 3kxf s THR 45 CO 0.00 -0.02 -0.22 -1.61 -0.69 0.00 0.00 174.62 172.09 3kxf s GLU 46 N 3.02 1.90 0.49 4.92 2.02 -0.82 -4.97 118.70 125.26 3kxf s GLU 46 Ca 0.71 -1.07 -0.20 0.00 0.02 0.00 0.00 54.97 54.44 3kxf s GLU 46 Cb -0.36 -2.09 -0.08 0.00 0.10 0.00 0.00 34.13 31.70 3kxf s GLU 46 CO 0.30 0.52 1.01 -1.25 0.02 0.00 0.00 175.26 175.86 3kxf s PRO 47 N -1.46 3.87 0.00 0.39 0.04 -1.26 -2.27 135.00 134.31 3kxf s PRO 47 Ca 0.14 1.24 0.00 0.00 0.04 0.00 0.00 61.00 62.42 3kxf s PRO 47 Cb -0.10 -2.11 0.00 0.00 0.04 0.00 0.00 34.50 32.32 3kxf s PRO 47 CO 0.04 -0.36 0.00 0.54 0.04 0.00 0.00 177.00 177.27 3kxf n ARG 48 N -1.06 3.76 -4.11 4.56 5.12 0.52 -4.88 116.66 120.56 3kxf n ARG 48 Ca 0.08 0.00 -0.24 0.00 -1.93 0.00 0.00 57.85 55.77 3kxf n ARG 48 Cb 0.53 -0.54 -0.05 0.00 -1.16 0.00 0.00 32.46 31.24 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 -0.54 3.56 0.10 7.54 0.00 -1.22 -4.73 121.76 126.47 3kxf s ALA 49 Ca 0.00 -1.35 0.11 0.00 0.00 0.00 0.00 51.96 50.72 3kxf s ALA 49 Cb 0.00 -1.31 0.09 0.00 0.00 0.00 0.00 23.12 21.90 3kxf s ALA 49 CO 0.00 0.35 1.45 -1.35 0.00 0.00 0.00 175.76 176.20 3kxf h PRO 50 N 1.85 0.00 -0.00 0.00 0.11 -1.95 -3.31 132.00 128.70 3kxf h PRO 50 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3kxf h PRO 50 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3kxf h PRO 50 CO 0.61 0.73 -0.02 -2.67 -0.21 0.00 0.00 178.00 176.45 3kxf n TRP 51 N -3.44 0.00 0.88 0.65 4.27 -1.26 -2.75 117.44 115.78 3kxf n TRP 51 Ca 0.00 0.00 0.11 0.00 -3.89 0.00 0.00 57.50 53.73 3kxf n TRP 51 Cb 0.77 -0.26 0.11 0.00 -1.36 0.00 0.00 31.31 30.57 3kxf n TRP 51 CO 0.00 0.00 0.00 1.51 -2.29 0.00 0.00 177.69 176.91 3kxf n ILE 52 N -1.23 0.06 1.05 -1.67 0.13 -1.25 -4.18 119.36 112.27 3kxf n ILE 52 Ca 0.15 -0.07 0.13 0.00 -1.10 0.00 0.00 62.75 61.85 3kxf n ILE 52 Cb 0.24 0.38 0.61 0.00 -0.84 0.00 0.00 39.64 40.03 3kxf n ILE 52 CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 3kxf n GLU 53 N -1.64 0.16 0.24 9.51 1.02 -1.11 -2.59 120.64 126.23 3kxf n GLU 53 Ca 0.04 0.04 0.08 0.00 -0.02 0.00 0.00 57.16 57.31 3kxf n GLU 53 Cb 0.36 -1.50 0.61 0.00 -0.02 0.00 0.00 31.44 30.89 3kxf n GLU 53 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 3kxf h GLN 54 N 0.00 0.00 -6.46 3.49 4.20 -1.78 -3.45 115.11 111.11 3kxf h GLN 54 Ca 0.00 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 58.18 3kxf h GLN 54 Cb 0.37 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.17 3kxf h GLN 54 CO 0.00 0.14 0.88 -1.21 -0.67 0.00 0.00 178.83 177.97 3kxf s GLU 55 N -4.53 4.25 1.16 1.46 0.41 -1.07 -4.99 118.70 115.39 3kxf s GLU 55 Ca -0.04 2.17 -0.13 0.00 -0.41 0.00 0.00 54.97 56.57 3kxf s GLU 55 Cb 0.15 -3.47 0.28 0.00 -1.78 0.00 0.00 34.13 29.31 3kxf s GLU 55 CO 0.65 -0.61 1.03 0.20 -0.49 0.00 0.00 175.26 176.04 3kxf s GLY 56 N 1.84 1.55 0.54 -1.39 0.00 -1.26 -4.84 107.32 103.76 3kxf s GLY 56 Ca 0.68 -0.11 0.20 0.00 0.00 0.00 0.00 44.72 45.50 3kxf s GLY 56 CO 0.30 0.60 2.18 -2.55 0.00 0.00 0.00 173.10 173.63 3kxf h PRO 57 N -2.63 0.00 -0.84 2.90 0.11 -1.99 -0.72 132.00 128.84 3kxf h PRO 57 Ca -0.61 0.00 0.19 0.00 0.11 0.00 0.00 66.00 65.69 3kxf h PRO 57 Cb 1.33 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 32.33 3kxf h PRO 57 CO 0.50 0.00 0.33 1.49 -0.21 0.00 0.00 178.00 180.11 3kxf h GLU 58 N 0.00 0.38 -0.50 1.05 4.81 -2.00 -1.40 114.58 116.92 3kxf h GLU 58 Ca 0.00 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.11 3kxf h GLU 58 Cb 0.02 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.30 3kxf h GLU 58 CO -0.00 0.25 -0.07 -0.92 -0.73 0.00 0.00 179.01 177.54 3kxf h TYR 59 N 0.39 1.04 0.05 0.92 3.20 -1.45 -2.79 116.97 118.33 3kxf h TYR 59 Ca 0.50 -0.21 -0.25 0.00 3.14 0.00 0.00 58.73 61.91 3kxf h TYR 59 Cb 0.88 -0.26 0.02 0.00 1.54 0.00 0.00 36.73 38.91 3kxf h TYR 59 CO -0.17 0.99 -1.02 -1.49 -1.64 0.00 0.00 178.16 174.83 3kxf h TRP 60 N 0.79 0.93 -0.59 -3.82 4.06 -1.42 -2.14 115.95 113.77 3kxf h TRP 60 Ca 0.13 -0.54 0.12 0.00 2.06 0.00 0.00 58.89 60.66 3kxf h TRP 60 Cb 0.62 -0.09 -0.11 0.00 -1.00 0.00 0.00 29.16 28.58 3kxf h TRP 60 CO 0.05 1.38 -0.09 -0.44 -3.56 0.00 0.00 178.44 175.77 3kxf h ASP 61 N 0.22 -0.44 -0.58 -3.49 5.19 -1.38 -2.01 116.42 113.92 3kxf h ASP 61 Ca -0.14 0.17 -0.06 0.00 -0.62 0.00 0.00 57.03 56.37 3kxf h ASP 61 Cb 1.70 0.33 -0.02 0.00 0.18 0.00 0.00 39.33 41.51 3kxf h ASP 61 CO 0.20 -0.16 0.13 -0.09 -3.12 0.00 0.00 179.24 176.19 3kxf h ARG 62 N 0.04 0.94 0.43 3.56 2.43 -1.36 -1.52 114.38 118.89 3kxf h ARG 62 Ca 0.29 -0.23 -0.02 0.00 -0.81 0.00 0.00 59.98 59.21 3kxf h ARG 62 Cb 0.46 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 3kxf h ARG 62 CO -0.57 0.87 -0.21 -0.91 -1.51 0.00 0.00 179.97 177.65 3kxf h ASN 63 N 0.84 -0.49 -0.50 -3.80 -0.26 -1.21 -2.52 115.58 107.65 3kxf h ASN 63 Ca 0.18 -0.07 0.10 0.00 -0.56 0.00 0.00 56.30 55.95 3kxf h ASN 63 Cb 0.36 0.13 -0.08 0.00 -1.06 0.00 0.00 38.32 37.67 3kxf h ASN 63 CO 0.00 -0.21 -0.02 0.74 -1.06 0.00 0.00 177.43 176.88 3kxf h THR 64 N -0.76 0.59 -0.48 2.81 2.02 -1.32 0.13 112.91 115.90 3kxf h THR 64 Ca -0.06 -0.03 0.10 0.00 0.77 0.00 0.00 66.41 67.19 3kxf h THR 64 Cb 0.53 0.49 -0.09 0.00 -1.74 0.00 0.00 68.15 67.33 3kxf h THR 64 CO 0.10 0.02 -0.15 0.00 0.37 0.00 0.00 175.52 175.85 3kxf h ALA 65 N 1.46 0.25 -0.49 6.16 0.00 -1.30 0.14 119.26 125.48 3kxf h ALA 65 Ca 0.25 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.34 3kxf h ALA 65 Cb 0.38 0.42 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 3kxf h ALA 65 CO -0.44 -0.48 0.31 0.82 0.00 0.00 0.00 179.25 179.46 3kxf h ILE 66 N -0.04 1.14 -0.29 0.00 2.04 -0.58 -2.88 117.51 116.90 3kxf h ILE 66 Ca 0.23 -0.30 -0.17 0.00 1.00 0.00 0.00 64.86 65.62 3kxf h ILE 66 Cb 0.39 0.46 -0.00 0.00 -0.74 0.00 0.00 36.82 36.93 3kxf h ILE 66 CO -0.51 0.14 -0.47 -0.26 0.00 0.00 0.00 178.15 177.05 3kxf h PHE 67 N 0.66 1.02 -0.60 1.37 0.04 -0.49 -2.43 116.94 116.51 3kxf h PHE 67 Ca 0.18 -0.35 -0.05 0.00 2.80 0.00 0.00 57.97 60.55 3kxf h PHE 67 Cb -0.03 -0.20 -0.03 0.00 2.20 0.00 0.00 35.95 37.89 3kxf h PHE 67 CO -0.03 1.16 0.18 0.87 -0.60 0.00 0.00 178.31 179.89 3kxf h LYS 68 N 0.59 0.91 -0.17 1.51 1.57 -0.97 0.33 116.57 120.33 3kxf h LYS 68 Ca 0.02 -0.17 -0.17 0.00 -1.87 0.00 0.00 60.65 58.46 3kxf h LYS 68 Cb 1.07 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 33.24 3kxf h LYS 68 CO 0.11 0.78 -0.59 0.00 -0.57 0.00 0.00 179.45 179.18 3kxf h ALA 69 N 1.32 0.65 -0.45 3.86 0.00 -1.51 -2.56 119.26 120.58 3kxf h ALA 69 Ca 0.20 -0.53 -0.04 0.00 0.00 0.00 0.00 54.91 54.54 3kxf h ALA 69 Cb 0.26 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3kxf h ALA 69 CO -0.01 0.70 0.13 -0.91 0.00 0.00 0.00 179.25 179.16 3kxf h ASN 70 N 0.42 0.66 -0.55 0.00 -0.26 -0.90 -2.30 115.58 112.65 3kxf h ASN 70 Ca -0.00 -0.22 0.11 0.00 -0.56 0.00 0.00 56.30 55.63 3kxf h ASN 70 Cb 1.14 -0.17 -0.08 0.00 -1.06 0.00 0.00 38.32 38.15 3kxf h ASN 70 CO 0.11 0.70 0.07 0.74 -1.06 0.00 0.00 177.43 177.99 3kxf h THR 71 N 0.58 0.62 0.59 2.81 2.02 -0.30 -1.03 112.91 118.21 3kxf h THR 71 Ca 0.14 -0.07 -0.02 0.00 0.77 0.00 0.00 66.41 67.24 3kxf h THR 71 Cb 0.29 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 3kxf h THR 71 CO -0.00 0.03 -0.46 1.56 0.37 0.00 0.00 175.52 177.03 3kxf h GLN 72 N 0.19 -0.98 0.00 6.66 1.08 -1.15 -2.81 115.11 118.10 3kxf h GLN 72 Ca 0.29 0.07 0.00 0.00 -1.45 0.00 0.00 58.65 57.55 3kxf h GLN 72 Cb 0.43 0.22 0.00 0.00 -0.05 0.00 0.00 27.48 28.08 3kxf h GLN 72 CO -0.41 -0.65 0.00 0.25 -0.95 0.00 0.00 178.83 177.07 3kxf n THR 73 N -5.56 0.46 0.12 -0.54 -2.24 -0.89 -1.66 114.28 103.96 3kxf n THR 73 Ca -0.13 0.11 0.04 0.00 -2.27 0.00 0.00 64.05 61.81 3kxf n THR 73 Cb 0.45 -0.80 0.01 0.00 -2.10 0.00 0.00 70.33 67.89 3kxf n THR 73 CO 0.00 0.00 0.00 1.88 -0.57 0.00 0.00 175.07 176.38 3kxf h TYR 74 N 0.00 0.00 0.10 4.78 -1.99 -0.94 -1.98 116.97 116.95 3kxf h TYR 74 Ca 0.00 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.72 3kxf h TYR 74 Cb 0.19 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.92 3kxf h TYR 74 CO 0.00 0.40 -0.05 0.00 -0.00 0.00 0.00 178.16 178.51 3kxf h ARG 75 N 0.00 -0.13 -0.95 4.88 3.08 -1.17 -1.43 114.38 118.66 3kxf h ARG 75 Ca -0.05 0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.03 3kxf h ARG 75 Cb 1.35 0.03 -0.05 0.00 0.08 0.00 0.00 29.97 31.38 3kxf h ARG 75 CO 0.04 -0.00 0.63 1.49 -1.07 0.00 0.00 179.97 181.06 3kxf h GLU 76 N -0.23 1.24 -0.34 0.04 4.81 -1.59 -2.87 114.58 115.64 3kxf h GLU 76 Ca -0.01 -0.07 -0.14 0.00 -0.13 0.00 0.00 59.36 59.00 3kxf h GLU 76 Cb 0.19 -0.28 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 3kxf h GLU 76 CO 0.02 0.82 -0.34 0.77 -0.73 0.00 0.00 179.01 179.55 3kxf h SER 77 N 1.27 0.80 -0.59 1.04 0.02 -1.26 -2.48 113.55 112.35 3kxf h SER 77 Ca 0.35 -0.34 -0.04 0.00 -0.84 0.00 0.00 61.79 60.92 3kxf h SER 77 Cb -0.13 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.16 3kxf h SER 77 CO -0.08 1.07 0.22 -0.07 -1.14 0.00 0.00 176.83 176.82 3kxf h LEU 78 N 0.63 0.84 -0.54 5.07 3.38 -1.07 -1.69 115.31 121.93 3kxf h LEU 78 Ca 0.06 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 57.86 3kxf h LEU 78 Cb 0.88 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.38 3kxf h LEU 78 CO 0.08 0.80 0.34 0.03 0.09 0.00 0.00 178.44 179.78 3kxf h ARG 79 N 0.83 0.67 -0.28 1.13 3.08 -1.45 -1.40 114.38 116.96 3kxf h ARG 79 Ca 0.20 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.18 3kxf h ARG 79 Cb 0.24 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 3kxf h ARG 79 CO -0.01 0.45 0.08 -0.91 -1.07 0.00 0.00 179.97 178.51 3kxf h ASN 80 N 0.69 0.41 -0.05 7.04 -0.26 -1.10 0.33 115.58 122.64 3kxf h ASN 80 Ca 0.21 -0.21 -0.05 0.00 -0.56 0.00 0.00 56.30 55.69 3kxf h ASN 80 Cb -0.04 -0.11 -0.01 0.00 -1.06 0.00 0.00 38.32 37.10 3kxf h ASN 80 CO -0.07 0.51 -0.08 -0.07 -1.06 0.00 0.00 177.43 176.66 3kxf h LEU 81 N 0.28 0.28 -0.78 1.61 4.07 -1.29 0.03 115.31 119.52 3kxf h LEU 81 Ca 0.09 -0.05 0.02 0.00 0.08 0.00 0.00 57.88 58.02 3kxf h LEU 81 Cb 0.25 -0.07 -0.04 0.00 1.08 0.00 0.00 40.66 41.87 3kxf h LEU 81 CO -0.00 0.40 0.50 -0.09 -1.08 0.00 0.00 178.44 178.17 3kxf h ARG 82 N 0.29 0.96 0.00 1.13 2.43 -0.58 -2.73 114.38 115.88 3kxf h ARG 82 Ca 0.06 -0.06 -0.12 0.00 -0.81 0.00 0.00 59.98 59.05 3kxf h ARG 82 Cb 0.33 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 3kxf h ARG 82 CO 0.02 0.64 -0.56 0.78 -1.51 0.00 0.00 179.97 179.33 3kxf h GLY 83 N 0.99 0.00 1.37 2.80 0.00 0.37 -1.69 103.07 106.91 3kxf h GLY 83 Ca 0.30 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.42 3kxf h GLY 83 CO -0.09 0.00 -0.79 -0.97 0.00 0.00 0.00 176.54 174.68 3kxf h TYR 84 N 0.00 0.84 -0.02 5.60 0.05 -0.78 -3.30 116.97 119.36 3kxf h TYR 84 Ca -0.01 -0.38 0.00 0.00 0.05 0.00 0.00 58.73 58.39 3kxf h TYR 84 Cb 1.06 -0.12 0.00 0.00 1.01 0.00 0.00 36.73 38.68 3kxf h TYR 84 CO 0.00 1.19 -0.07 0.66 -1.05 0.00 0.00 178.16 178.89 3kxf n TYR 85 N -3.88 0.00 -3.06 4.88 4.01 -1.06 -4.91 117.16 113.14 3kxf n TYR 85 Ca -0.06 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.52 3kxf n TYR 85 Cb 0.75 -0.01 0.02 0.00 -0.31 0.00 0.00 39.34 39.79 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 0.63 -7.24 -4.02 7.72 4.13 -1.02 -5.05 115.26 110.41 3kxf n ASN 86 Ca 0.15 0.28 -0.21 0.00 1.68 0.00 0.00 54.58 56.48 3kxf n ASN 86 Cb 0.48 -4.33 -0.15 0.00 -1.54 0.00 0.00 39.78 34.23 3kxf n ASN 86 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 3kxf s GLN 87 N -2.66 1.07 0.86 3.52 -0.21 -0.67 -5.05 119.66 116.52 3kxf s GLN 87 Ca 0.26 -0.35 -0.12 0.00 0.02 0.00 0.00 55.36 55.17 3kxf s GLN 87 Cb -0.06 -0.99 0.11 0.00 1.00 0.00 0.00 33.01 33.07 3kxf s GLN 87 CO 0.80 0.14 1.10 -1.54 -2.12 0.00 0.00 175.29 173.67 3kxf s SER 88 N 0.14 3.92 0.00 5.90 1.04 -1.26 -4.77 113.70 118.67 3kxf s SER 88 Ca -0.03 1.28 0.22 0.00 0.48 0.00 0.00 55.95 57.91 3kxf s SER 88 Cb -0.09 -1.97 1.20 0.00 0.10 0.00 0.00 66.02 65.27 3kxf s SER 88 CO 0.01 -2.33 1.71 -0.62 0.98 0.00 0.00 173.24 172.98 3kxf n GLU 89 N -3.66 0.48 -0.11 4.02 1.02 -1.26 -3.94 120.64 117.19 3kxf n GLU 89 Ca 0.07 0.05 -0.05 0.00 -0.02 0.00 0.00 57.16 57.20 3kxf n GLU 89 Cb 0.57 -1.50 0.02 0.00 -0.02 0.00 0.00 31.44 30.51 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 3.19 0.38 -2.60 0.62 0.00 -1.91 -3.43 119.26 115.51 3kxf h ALA 90 Ca 0.00 0.09 -0.56 0.00 0.00 0.00 0.00 54.91 54.44 3kxf h ALA 90 Cb 0.11 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 3kxf h ALA 90 CO 0.00 -0.36 -0.19 0.20 0.00 0.00 0.00 179.25 178.91 3kxf s GLY 91 N -2.84 2.28 0.34 0.00 0.00 -1.25 -4.75 107.32 101.10 3kxf s GLY 91 Ca -0.13 -0.37 -0.27 0.00 0.00 0.00 0.00 44.72 43.95 3kxf s GLY 91 CO 0.71 -0.23 1.13 -0.45 0.00 0.00 0.00 173.10 174.26 3kxf s SER 92 N -2.31 6.93 -0.00 1.64 0.15 -1.26 -4.71 113.70 114.14 3kxf s SER 92 Ca 0.44 2.29 0.03 0.00 0.70 0.00 0.00 55.95 59.41 3kxf s SER 92 Cb -0.12 -2.62 -0.01 0.00 -1.71 0.00 0.00 66.02 61.56 3kxf s SER 92 CO 0.22 -0.38 -0.10 -1.00 1.20 0.00 0.00 173.24 173.17 3kxf s HIS 93 N -1.31 0.92 -0.12 3.44 3.76 -1.25 -5.00 115.29 115.73 3kxf s HIS 93 Ca 0.51 -0.20 0.02 0.00 -0.15 0.00 0.00 55.06 55.24 3kxf s HIS 93 Cb -0.31 -0.58 0.01 0.00 1.11 0.00 0.00 32.58 32.81 3kxf s HIS 93 CO 0.39 -0.01 -0.19 0.42 -0.85 0.00 0.00 174.74 174.50 3kxf s ILE 94 N -0.33 1.76 -0.15 0.60 1.01 -1.26 -0.77 121.20 122.05 3kxf s ILE 94 Ca 0.03 -0.81 -0.07 0.00 0.00 0.00 0.00 60.65 59.80 3kxf s ILE 94 Cb -0.04 -1.58 -0.04 0.00 0.01 0.00 0.00 42.46 40.81 3kxf s ILE 94 CO -0.00 0.49 0.10 -0.63 0.00 0.00 0.00 174.94 174.90 3kxf s ILE 95 N 0.82 5.15 0.01 2.92 1.01 -0.26 -0.34 121.20 130.51 3kxf s ILE 95 Ca -0.09 0.09 0.08 0.00 0.00 0.00 0.00 60.65 60.73 3kxf s ILE 95 Cb -0.16 -3.28 -0.02 0.00 0.01 0.00 0.00 42.46 39.01 3kxf s ILE 95 CO -0.00 0.53 -0.26 -1.10 0.00 0.00 0.00 174.94 174.11 3kxf s GLN 96 N -0.29 1.92 -0.01 2.79 -0.21 -0.43 -0.72 119.66 122.70 3kxf s GLN 96 Ca 0.10 -1.00 0.01 0.00 0.02 0.00 0.00 55.36 54.49 3kxf s GLN 96 Cb -0.12 -1.97 0.01 0.00 1.00 0.00 0.00 33.01 31.93 3kxf s GLN 96 CO 0.01 0.52 -0.04 0.50 -2.12 0.00 0.00 175.29 174.17 3kxf s ARG 97 N -0.91 0.40 -0.16 2.91 3.52 0.44 -0.93 118.95 124.21 3kxf s ARG 97 Ca 0.11 -0.11 -0.04 0.00 -0.13 0.00 0.00 55.73 55.56 3kxf s ARG 97 Cb -0.10 -0.43 0.07 0.00 -1.56 0.00 0.00 34.95 32.93 3kxf s ARG 97 CO 0.01 0.03 0.14 1.41 -0.81 0.00 0.00 175.30 176.08 3kxf s MET 98 N 0.22 0.09 0.23 5.12 -2.45 -1.26 0.91 119.30 122.17 3kxf s MET 98 Ca -0.02 0.13 0.00 0.00 -1.25 0.00 0.00 55.69 54.55 3kxf s MET 98 Cb -0.05 -1.33 -0.05 0.00 1.25 0.00 0.00 34.83 34.65 3kxf s MET 98 CO -0.00 -0.60 0.11 1.52 1.05 0.00 0.00 175.02 177.10 3kxf s TYR 99 N 2.23 1.37 -5.00 4.11 1.13 -0.82 -0.26 117.35 120.11 3kxf s TYR 99 Ca 0.04 -1.26 0.00 0.00 -1.41 0.00 0.00 57.07 54.44 3kxf s TYR 99 Cb -0.15 -0.75 0.00 0.00 -1.10 0.00 0.00 41.96 39.96 3kxf s TYR 99 CO -0.09 -0.46 0.00 0.41 -2.51 0.00 0.00 175.55 172.89 3kxf n GLY 100 N -0.38 -0.41 2.94 5.49 0.00 0.94 -0.75 105.19 113.03 3kxf n GLY 100 Ca 0.01 -1.48 -0.17 0.00 0.00 0.00 0.00 46.02 44.38 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 0.10 6.11 -0.27 0.00 1.11 -0.63 -2.50 116.67 120.59 3kxf s ASP 102 Ca -0.01 0.11 -0.15 0.00 0.18 0.00 0.00 52.55 52.69 3kxf s ASP 102 Cb -0.05 -2.12 -0.04 0.00 1.07 0.00 0.00 42.92 41.79 3kxf s ASP 102 CO -0.00 0.02 0.36 -0.22 1.18 0.00 0.00 175.17 176.51 3kxf s LEU 103 N 1.29 4.05 0.82 1.23 2.96 -1.12 -1.35 118.68 126.57 3kxf s LEU 103 Ca 0.08 0.25 -0.12 0.00 -0.22 0.00 0.00 54.13 54.13 3kxf s LEU 103 Cb -0.14 -2.41 0.08 0.00 0.50 0.00 0.00 46.19 44.22 3kxf s LEU 103 CO 0.07 -0.18 1.15 -0.83 -1.32 0.00 0.00 176.35 175.24 3kxf s GLY 104 N 1.65 1.59 0.24 7.98 0.00 0.29 -4.15 107.32 114.93 3kxf s GLY 104 Ca 0.14 -0.56 -0.06 0.00 0.00 0.00 0.00 44.72 44.25 3kxf s GLY 104 CO 0.10 -0.07 1.68 -2.55 0.00 0.00 0.00 173.10 172.26 3kxf h PRO 105 N -1.10 0.24 -0.59 2.90 0.11 -1.93 -1.68 132.00 129.95 3kxf h PRO 105 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3kxf h PRO 105 Cb 1.32 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3kxf h PRO 105 CO 0.64 0.16 0.00 -0.40 -0.21 0.00 0.00 178.00 178.19 3kxf n ASP 106 N -5.18 0.60 -2.42 -2.05 5.75 -1.26 -4.72 116.55 107.27 3kxf n ASP 106 Ca 0.13 -1.14 -0.19 0.00 -0.01 0.00 0.00 54.79 53.59 3kxf n ASP 106 Cb 0.45 -0.28 0.01 0.00 -1.03 0.00 0.00 41.12 40.27 3kxf n ASP 106 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3kxf n GLY 107 N 0.23 -0.38 3.38 6.12 0.00 -0.64 -5.00 105.19 108.90 3kxf n GLY 107 Ca 0.00 -0.04 -0.20 0.00 0.00 0.00 0.00 46.02 45.78 3kxf n GLY 107 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kxf s ARG 108 N -5.29 1.42 0.23 1.61 1.81 -1.18 -4.93 118.95 112.63 3kxf s ARG 108 Ca 0.16 -1.67 -0.30 0.00 -1.72 0.00 0.00 55.73 52.20 3kxf s ARG 108 Cb -0.07 -1.15 -0.09 0.00 -0.45 0.00 0.00 34.95 33.18 3kxf s ARG 108 CO 0.19 0.13 1.37 -1.17 -0.68 0.00 0.00 175.30 175.15 3kxf s LEU 109 N -3.37 4.40 -0.12 2.53 2.96 -1.26 0.10 118.68 123.92 3kxf s LEU 109 Ca 0.25 2.54 0.04 0.00 -0.22 0.00 0.00 54.13 56.74 3kxf s LEU 109 Cb 0.01 -3.62 -0.10 0.00 0.50 0.00 0.00 46.19 42.98 3kxf s LEU 109 CO 0.09 -0.61 -0.07 -0.11 -1.32 0.00 0.00 176.35 174.33 3kxf n LEU 110 N 2.42 2.07 -3.64 -0.68 7.94 -0.45 -4.73 117.00 119.93 3kxf n LEU 110 Ca 0.06 -0.05 -0.05 0.00 -1.11 0.00 0.00 56.01 54.86 3kxf n LEU 110 Cb 0.41 -0.24 -0.06 0.00 0.53 0.00 0.00 43.42 44.06 3kxf n LEU 110 CO 0.59 0.58 0.35 0.00 -1.11 0.00 0.00 177.39 177.80 3kxf s ARG 111 N -2.26 0.65 0.17 1.96 1.70 -1.24 -5.06 118.95 114.87 3kxf s ARG 111 Ca -0.14 1.24 -0.03 0.00 -0.47 0.00 0.00 55.73 56.34 3kxf s ARG 111 Cb 0.04 0.32 -0.05 0.00 -0.57 0.00 0.00 34.95 34.69 3kxf s ARG 111 CO 0.34 -0.16 0.39 0.20 -1.08 0.00 0.00 175.30 174.99 3kxf s GLY 112 N 1.94 2.05 0.01 3.88 0.00 -1.26 -1.60 107.32 112.33 3kxf s GLY 112 Ca -0.09 -0.67 0.01 0.00 0.00 0.00 0.00 44.72 43.97 3kxf s GLY 112 CO -0.19 -0.60 -0.03 0.30 0.00 0.00 0.00 173.10 172.58 3kxf s HIS 113 N -1.76 0.26 -0.33 1.90 3.76 0.46 -4.85 115.29 114.74 3kxf s HIS 113 Ca 0.40 -0.17 0.03 0.00 -0.15 0.00 0.00 55.06 55.17 3kxf s HIS 113 Cb -0.12 -0.17 0.16 0.00 1.11 0.00 0.00 32.58 33.56 3kxf s HIS 113 CO 0.27 -0.04 0.40 0.34 -0.85 0.00 0.00 174.74 174.86 3kxf s ASP 114 N -0.45 0.68 0.49 1.40 2.15 -1.26 -0.04 116.67 119.65 3kxf s ASP 114 Ca -0.03 -0.89 0.00 0.00 0.43 0.00 0.00 52.55 52.06 3kxf s ASP 114 Cb -0.03 0.90 0.00 0.00 -0.30 0.00 0.00 42.92 43.49 3kxf s ASP 114 CO -0.00 -0.31 0.00 1.67 -0.17 0.00 0.00 175.17 176.36 3kxf n GLN 115 N 4.89 0.63 0.00 4.34 -0.06 0.65 -2.89 117.38 124.94 3kxf n GLN 115 Ca 0.05 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.05 3kxf n GLN 115 Cb 0.48 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.66 3kxf n GLN 115 CO 0.00 0.00 0.00 0.43 -0.20 0.00 0.00 177.06 177.29 3kxf n SER 116 N -2.57 0.00 -4.14 1.69 7.64 -0.84 -4.37 113.62 111.04 3kxf n SER 116 Ca 0.00 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.77 3kxf n SER 116 Cb 0.00 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.10 3kxf n SER 116 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3kxf s ALA 117 N -0.99 0.84 -0.07 -0.43 0.00 -0.11 -0.93 121.76 120.07 3kxf s ALA 117 Ca 0.00 -1.18 0.03 0.00 0.00 0.00 0.00 51.96 50.81 3kxf s ALA 117 Cb 0.00 0.14 0.01 0.00 0.00 0.00 0.00 23.12 23.26 3kxf s ALA 117 CO 0.00 -0.19 -0.16 -0.47 0.00 0.00 0.00 175.76 174.94 3kxf s TYR 118 N -3.04 1.79 -1.70 0.00 5.04 0.82 -1.31 117.35 118.95 3kxf s TYR 118 Ca 0.06 -0.67 -0.22 0.00 -2.44 0.00 0.00 57.07 53.80 3kxf s TYR 118 Cb 0.01 -1.26 0.22 0.00 0.35 0.00 0.00 41.96 41.28 3kxf s TYR 118 CO -0.04 -0.30 0.54 -0.25 -1.34 0.00 0.00 175.55 174.16 3kxf n ASP 119 N 3.65 -1.65 0.00 4.32 8.00 0.54 0.80 116.55 132.20 3kxf n ASP 119 Ca -0.21 -1.12 0.00 0.00 0.71 0.00 0.00 54.79 54.17 3kxf n ASP 119 Cb 0.52 -1.45 0.00 0.00 -0.02 0.00 0.00 41.12 40.17 3kxf n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kxf n GLY 120 N -1.00 1.01 3.88 0.44 0.00 -1.26 -5.03 105.19 103.22 3kxf n GLY 120 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 3kxf n GLY 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kxf s LYS 121 N -0.17 3.60 0.39 1.61 1.02 0.24 -5.08 119.74 121.35 3kxf s LYS 121 Ca 0.00 -0.06 -0.27 0.00 0.02 0.00 0.00 55.97 55.65 3kxf s LYS 121 Cb 0.00 -3.04 -0.11 0.00 -0.52 0.00 0.00 37.83 34.16 3kxf s LYS 121 CO 0.00 0.61 1.45 -0.25 -0.92 0.00 0.00 175.35 176.25 3kxf n ASP 122 N 0.93 3.57 0.03 2.83 8.00 -1.26 -0.12 116.55 130.53 3kxf n ASP 122 Ca -0.09 1.20 0.00 0.00 0.71 0.00 0.00 54.79 56.61 3kxf n ASP 122 Cb 0.52 -1.60 0.00 0.00 -0.02 0.00 0.00 41.12 40.02 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 0.29 -0.10 -3.83 1.24 9.36 -0.10 -4.67 117.16 119.34 3kxf n TYR 123 Ca 0.02 0.02 -0.12 0.00 3.32 0.00 0.00 57.90 61.14 3kxf n TYR 123 Cb 0.39 0.04 -0.13 0.00 -0.63 0.00 0.00 39.34 39.01 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 -1.53 -0.00 -0.07 2.97 2.07 -1.07 -0.80 121.20 122.76 3kxf s ILE 124 Ca 0.00 0.01 0.01 0.00 -1.41 0.00 0.00 60.65 59.26 3kxf s ILE 124 Cb 0.00 -0.16 0.02 0.00 0.13 0.00 0.00 42.46 42.45 3kxf s ILE 124 CO 0.00 0.00 -0.07 0.00 -1.91 0.00 0.00 174.94 172.96 3kxf s ALA 125 N 0.10 1.00 0.15 1.50 0.00 -0.85 -1.99 121.76 121.66 3kxf s ALA 125 Ca -0.00 -0.28 -0.31 0.00 0.00 0.00 0.00 51.96 51.37 3kxf s ALA 125 Cb -0.01 -0.59 -0.08 0.00 0.00 0.00 0.00 23.12 22.43 3kxf s ALA 125 CO -0.00 -0.08 1.38 -1.17 0.00 0.00 0.00 175.76 175.89 3kxf s LEU 126 N 1.07 4.38 0.00 0.00 2.96 -1.14 0.13 118.68 126.08 3kxf s LEU 126 Ca -0.08 2.38 -0.22 0.00 -0.22 0.00 0.00 54.13 55.99 3kxf s LEU 126 Cb -0.14 -3.60 0.35 0.00 0.50 0.00 0.00 46.19 43.30 3kxf s LEU 126 CO -0.01 -0.63 0.89 0.59 -1.32 0.00 0.00 176.35 175.87 3kxf n ASN 127 N 3.48 -3.53 0.21 3.68 3.02 -0.51 -4.67 115.26 116.95 3kxf n ASN 127 Ca 0.10 -0.92 0.10 0.00 -0.03 0.00 0.00 54.58 53.82 3kxf n ASN 127 Cb 0.42 -0.95 0.39 0.00 -0.61 0.00 0.00 39.78 39.03 3kxf n ASN 127 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 3kxf h GLU 128 N 0.00 0.00 0.00 3.52 4.81 -1.90 -3.19 114.58 117.82 3kxf h GLU 128 Ca -0.38 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.85 3kxf h GLU 128 Cb 1.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.63 3kxf h GLU 128 CO 0.24 0.23 -0.13 -0.40 -0.73 0.00 0.00 179.01 178.22 3kxf n ASP 129 N -3.33 0.55 -3.37 1.04 5.68 -1.26 -4.76 116.55 111.10 3kxf n ASP 129 Ca 0.01 0.43 -0.22 0.00 -0.50 0.00 0.00 54.79 54.50 3kxf n ASP 129 Cb 0.47 -0.50 0.07 0.00 -1.14 0.00 0.00 41.12 40.02 3kxf n ASP 129 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3kxf n LEU 130 N -1.98 -3.28 0.00 -2.12 4.77 -1.21 -4.87 117.00 108.32 3kxf n LEU 130 Ca 0.06 -0.49 0.00 0.00 -0.03 0.00 0.00 56.01 55.54 3kxf n LEU 130 Cb 0.40 -2.88 0.00 0.00 -2.33 0.00 0.00 43.42 38.61 3kxf n LEU 130 CO 0.31 0.59 0.10 -1.54 -1.33 0.00 0.00 177.39 175.52 3kxf n SER 131 N -2.71 0.00 -3.76 -1.43 3.41 -1.26 -4.66 113.62 103.20 3kxf n SER 131 Ca 0.00 -1.00 -0.10 0.00 -0.26 0.00 0.00 58.87 57.52 3kxf n SER 131 Cb 0.56 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.47 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 -0.21 0.40 4.04 1.04 -1.26 -4.96 113.70 112.76 3kxf s SER 132 Ca 0.00 -0.52 0.07 0.00 0.48 0.00 0.00 55.95 55.98 3kxf s SER 132 Cb 0.00 0.54 -0.06 0.00 0.10 0.00 0.00 66.02 66.60 3kxf s SER 132 CO 0.00 -1.00 0.13 0.26 0.98 0.00 0.00 173.24 173.61 3kxf s TRP 133 N -3.88 2.59 -0.39 5.02 0.52 -1.26 -1.42 118.94 120.11 3kxf s TRP 133 Ca 0.10 -0.58 0.02 0.00 0.02 0.00 0.00 56.10 55.65 3kxf s TRP 133 Cb 0.00 -1.87 0.12 0.00 -1.15 0.00 0.00 33.47 30.57 3kxf s TRP 133 CO -0.04 0.27 0.17 0.99 0.02 0.00 0.00 176.95 178.36 3kxf s THR 134 N -2.61 1.46 -0.19 2.01 2.01 0.34 -4.81 115.64 113.85 3kxf s THR 134 Ca 0.39 -2.24 -0.29 0.00 0.31 0.00 0.00 61.69 59.86 3kxf s THR 134 Cb 0.04 -2.05 -0.00 0.00 0.01 0.00 0.00 72.50 70.50 3kxf s THR 134 CO 0.21 -0.78 1.15 0.00 -0.69 0.00 0.00 174.62 174.51 3kxf s ALA 135 N 0.76 3.67 0.24 7.40 0.00 -1.26 -2.01 121.76 130.56 3kxf s ALA 135 Ca 0.14 0.32 0.08 0.00 0.00 0.00 0.00 51.96 52.51 3kxf s ALA 135 Cb -0.22 -3.58 0.26 0.00 0.00 0.00 0.00 23.12 19.58 3kxf s ALA 135 CO -0.08 -1.09 1.56 0.00 0.00 0.00 0.00 175.76 176.14 3kxf h ALA 136 N 7.79 0.87 -4.82 0.00 0.00 -1.26 -3.47 119.26 118.36 3kxf h ALA 136 Ca -0.23 -0.60 -0.47 0.00 0.00 0.00 0.00 54.91 53.61 3kxf h ALA 136 Cb 1.08 -0.10 -0.12 0.00 0.00 0.00 0.00 17.79 18.65 3kxf h ALA 136 CO 0.97 0.81 -0.45 -0.40 0.00 0.00 0.00 179.25 180.18 3kxf n ASP 137 N -3.77 -0.38 0.22 0.00 5.75 -1.26 -5.04 116.55 112.06 3kxf n ASP 137 Ca -0.02 -3.11 0.08 0.00 -0.01 0.00 0.00 54.79 51.74 3kxf n ASP 137 Cb 0.66 1.51 0.47 0.00 -1.03 0.00 0.00 41.12 42.73 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 1.97 0.80 0.13 2.12 1.35 -1.99 -2.62 112.91 114.68 3kxf h THR 138 Ca -0.24 -1.12 -0.01 0.00 -0.55 0.00 0.00 66.41 64.49 3kxf h THR 138 Cb 1.16 1.69 0.00 0.00 -1.73 0.00 0.00 68.15 69.27 3kxf h THR 138 CO 0.35 0.27 -0.06 0.00 -0.25 0.00 0.00 175.52 175.83 3kxf h ALA 139 N 1.73 -0.18 0.00 6.62 0.00 -1.97 -3.05 119.26 122.41 3kxf h ALA 139 Ca -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3kxf h ALA 139 Cb 0.67 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3kxf h ALA 139 CO 0.04 -0.43 0.01 0.00 0.00 0.00 0.00 179.25 178.86 3kxf h ALA 140 N 0.28 1.01 0.00 0.00 0.00 -1.81 0.17 119.26 118.90 3kxf h ALA 140 Ca -0.02 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 3kxf h ALA 140 Cb 0.41 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3kxf h ALA 140 CO 0.03 -0.01 -0.42 1.96 0.00 0.00 0.00 179.25 180.81 3kxf h GLN 141 N 0.00 0.00 -0.25 0.00 4.20 -1.36 0.27 115.11 117.98 3kxf h GLN 141 Ca 0.00 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.53 3kxf h GLN 141 Cb 0.01 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.79 3kxf h GLN 141 CO 0.00 0.42 -0.56 0.82 -0.67 0.00 0.00 178.83 178.84 3kxf h ILE 142 N 0.00 1.29 0.60 2.54 2.04 -1.03 -2.79 117.51 120.17 3kxf h ILE 142 Ca -0.00 -1.76 -0.03 0.00 1.00 0.00 0.00 64.86 64.06 3kxf h ILE 142 Cb 0.86 1.69 0.01 0.00 -0.74 0.00 0.00 36.82 38.63 3kxf h ILE 142 CO 0.05 0.57 -0.29 0.74 0.00 0.00 0.00 178.15 179.22 3kxf h THR 143 N 0.59 0.40 -0.76 -0.27 2.02 -1.50 -2.40 112.91 110.99 3kxf h THR 143 Ca 0.01 -0.06 0.16 0.00 0.77 0.00 0.00 66.41 67.28 3kxf h THR 143 Cb 1.15 0.42 -0.14 0.00 -1.74 0.00 0.00 68.15 67.84 3kxf h THR 143 CO 0.12 0.01 -0.15 -0.61 0.37 0.00 0.00 175.52 175.25 3kxf h GLN 144 N -0.85 0.01 -0.24 6.66 4.15 -0.92 0.46 115.11 124.37 3kxf h GLN 144 Ca -0.08 -0.00 -0.07 0.00 0.77 0.00 0.00 58.65 59.27 3kxf h GLN 144 Cb 0.64 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.32 3kxf h GLN 144 CO 0.14 0.01 -0.11 0.00 -1.93 0.00 0.00 178.83 176.94 3kxf h ARG 145 N 0.01 0.50 -0.97 1.69 3.08 -1.53 -2.86 114.38 114.31 3kxf h ARG 145 Ca 0.38 -0.22 0.01 0.00 0.07 0.00 0.00 59.98 60.22 3kxf h ARG 145 Cb 0.59 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.58 3kxf h ARG 145 CO -0.76 0.76 0.64 -0.22 -1.07 0.00 0.00 179.97 179.31 3kxf h LYS 146 N 0.22 1.27 0.00 0.04 3.64 -0.61 -1.21 116.57 119.93 3kxf h LYS 146 Ca 0.05 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3kxf h LYS 146 Cb 0.61 -0.29 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 3kxf h LYS 146 CO 0.03 0.84 0.00 0.91 -2.27 0.00 0.00 179.45 178.97 3kxf n TRP 147 N -4.39 0.00 -0.13 1.91 7.02 0.15 -3.56 117.44 118.45 3kxf n TRP 147 Ca 0.11 0.00 -0.25 0.00 -1.02 0.00 0.00 57.50 56.34 3kxf n TRP 147 Cb 0.01 -0.29 -0.09 0.00 -2.42 0.00 0.00 31.31 28.53 3kxf n TRP 147 CO 0.00 0.00 0.00 0.39 -2.02 0.00 0.00 177.69 176.06 3kxf n GLU 148 N -1.29 0.57 0.01 -0.99 1.02 -0.48 -1.36 120.64 118.12 3kxf n GLU 148 Ca 0.10 0.28 0.20 0.00 -0.02 0.00 0.00 57.16 57.72 3kxf n GLU 148 Cb 0.17 -1.50 0.69 0.00 -0.02 0.00 0.00 31.44 30.78 3kxf n GLU 148 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kxf h ALA 149 N -0.96 2.48 0.00 0.62 0.00 -1.63 0.20 119.26 119.97 3kxf h ALA 149 Ca -0.54 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.30 3kxf h ALA 149 Cb 1.46 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.28 3kxf h ALA 149 CO -0.32 -0.63 -0.50 0.00 0.00 0.00 0.00 179.25 177.79 3kxf h ALA 150 N 1.74 0.76 -2.95 0.00 0.00 -1.75 -3.48 119.26 113.57 3kxf h ALA 150 Ca 0.24 -0.26 -0.18 0.00 0.00 0.00 0.00 54.91 54.71 3kxf h ALA 150 Cb 0.98 0.00 0.05 0.00 0.00 0.00 0.00 17.79 18.83 3kxf h ALA 150 CO -0.00 0.33 -0.30 0.54 0.00 0.00 0.00 179.25 179.82 3kxf n ARG 151 N -3.05 -3.25 -0.27 0.00 1.74 0.69 -4.95 116.66 107.56 3kxf n ARG 151 Ca 0.01 0.39 0.08 0.00 -0.77 0.00 0.00 57.85 57.56 3kxf n ARG 151 Cb 0.64 -4.09 0.22 0.00 -1.02 0.00 0.00 32.46 28.22 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 -1.07 0.56 -0.00 1.55 2.07 -1.47 -0.89 116.25 116.99 3kxf h VAL 152 Ca -0.25 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.13 3kxf h VAL 152 Cb 1.17 0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 31.07 3kxf h VAL 152 CO 0.25 0.07 0.22 0.00 0.02 0.00 0.00 177.57 178.14 3kxf h ALA 153 N 1.62 1.23 0.17 1.67 0.00 -1.93 0.12 119.26 122.14 3kxf h ALA 153 Ca 0.46 -0.00 -0.35 0.00 0.00 0.00 0.00 54.91 55.02 3kxf h ALA 153 Cb 0.79 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3kxf h ALA 153 CO -0.47 -0.22 -1.77 0.93 0.00 0.00 0.00 179.25 177.71 3kxf h GLU 154 N 0.00 0.36 0.00 0.00 5.08 -1.46 -1.24 114.58 117.32 3kxf h GLU 154 Ca 0.00 -0.62 -0.11 0.00 -1.00 0.00 0.00 59.36 57.63 3kxf h GLU 154 Cb 0.45 0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.91 3kxf h GLU 154 CO -0.00 1.28 -0.54 0.00 -1.00 0.00 0.00 179.01 178.75 3kxf h ALA 155 N 0.15 0.81 -0.08 3.43 0.00 -1.47 -1.23 119.26 120.87 3kxf h ALA 155 Ca -0.35 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.06 3kxf h ALA 155 Cb 2.09 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.79 3kxf h ALA 155 CO 0.16 0.68 0.02 0.00 0.00 0.00 0.00 179.25 180.11 3kxf h ARG 156 N 0.00 0.12 0.59 0.00 2.47 -0.84 -2.93 114.38 113.79 3kxf h ARG 156 Ca -0.01 -0.03 -0.03 0.00 -1.26 0.00 0.00 59.98 58.66 3kxf h ARG 156 Cb 1.18 -0.02 0.01 0.00 -1.65 0.00 0.00 29.97 29.49 3kxf h ARG 156 CO 0.07 0.30 -0.28 -0.09 0.56 0.00 0.00 179.97 180.53 3kxf h ARG 157 N -0.08 -0.76 0.00 0.04 2.43 -1.19 -2.01 114.38 112.82 3kxf h ARG 157 Ca 0.02 0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 3kxf h ARG 157 Cb 0.23 0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 3kxf h ARG 157 CO -0.00 -0.45 0.41 0.00 -1.51 0.00 0.00 179.97 178.42 3kxf h ALA 158 N -0.66 1.40 0.03 2.80 0.00 -1.32 0.88 119.26 122.38 3kxf h ALA 158 Ca -0.08 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.63 3kxf h ALA 158 Cb 0.66 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 3kxf h ALA 158 CO 0.13 -0.40 -1.10 -0.92 0.00 0.00 0.00 179.25 176.97 3kxf h TYR 159 N 0.00 0.11 -0.27 0.00 3.20 -1.30 -3.11 116.97 115.60 3kxf h TYR 159 Ca 0.00 -0.08 -0.13 0.00 3.14 0.00 0.00 58.73 61.65 3kxf h TYR 159 Cb 0.82 -0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.08 3kxf h TYR 159 CO 0.00 1.43 -0.38 -0.07 -1.64 0.00 0.00 178.16 177.50 3kxf h LEU 160 N -0.80 0.67 0.00 2.82 3.38 -0.11 -0.06 115.31 121.21 3kxf h LEU 160 Ca -0.28 -0.29 -0.20 0.00 0.09 0.00 0.00 57.88 57.19 3kxf h LEU 160 Cb 1.38 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.91 3kxf h LEU 160 CO -0.10 0.98 -1.24 -0.33 0.09 0.00 0.00 178.44 177.84 3kxf h GLU 161 N 0.53 0.00 0.00 1.13 5.08 -1.54 -3.35 114.58 116.43 3kxf h GLU 161 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3kxf h GLU 161 Cb 0.90 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.15 3kxf h GLU 161 CO 0.08 0.55 0.00 0.41 -1.00 0.00 0.00 179.01 179.04 3kxf n GLY 162 N 1.40 1.07 0.39 -3.84 0.00 -1.08 -4.56 105.19 98.57 3kxf n GLY 162 Ca -0.07 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.13 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 0.37 -0.28 0.99 3.38 -1.63 -1.75 115.31 116.40 3kxf h LEU 163 Ca 0.00 0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.04 3kxf h LEU 163 Cb 0.00 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 3kxf h LEU 163 CO 0.00 0.17 0.02 0.00 0.09 0.00 0.00 178.44 178.72 3kxf h VAL 165 N 0.11 0.77 -0.22 0.00 2.07 -1.46 -2.91 116.25 114.61 3kxf h VAL 165 Ca 0.13 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.64 3kxf h VAL 165 Cb 0.16 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 3kxf h VAL 165 CO -0.20 0.00 0.08 -0.33 0.02 0.00 0.00 177.57 177.14 3kxf h GLU 166 N -0.19 0.34 0.00 1.57 5.08 -1.11 -3.00 114.58 117.28 3kxf h GLU 166 Ca 0.02 -0.07 -0.13 0.00 -1.00 0.00 0.00 59.36 58.19 3kxf h GLU 166 Cb 0.21 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 3kxf h GLU 166 CO -0.06 0.41 -0.60 -1.49 -1.00 0.00 0.00 179.01 176.27 3kxf h TRP 167 N 0.20 0.00 -0.76 4.33 4.06 -0.79 -2.96 115.95 120.03 3kxf h TRP 167 Ca 0.07 0.00 0.02 0.00 2.06 0.00 0.00 58.89 61.04 3kxf h TRP 167 Cb 0.21 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 28.32 3kxf h TRP 167 CO -0.00 0.60 0.50 1.25 -3.56 0.00 0.00 178.44 177.23 3kxf h LEU 168 N 0.00 0.84 -0.51 -4.49 5.85 -1.38 -2.02 115.31 113.60 3kxf h LEU 168 Ca -0.01 -0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.63 3kxf h LEU 168 Cb 1.08 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.90 3kxf h LEU 168 CO 0.08 0.60 0.03 0.03 -0.34 0.00 0.00 178.44 178.83 3kxf h ARG 169 N 0.99 0.89 -0.98 1.25 3.08 -1.40 0.67 114.38 118.89 3kxf h ARG 169 Ca 0.29 -0.27 0.06 0.00 0.07 0.00 0.00 59.98 60.14 3kxf h ARG 169 Cb -0.06 -0.09 -0.06 0.00 0.08 0.00 0.00 29.97 29.84 3kxf h ARG 169 CO -0.08 0.90 0.63 0.00 -1.07 0.00 0.00 179.97 180.35 3kxf h ARG 170 N 0.76 1.11 -0.16 0.04 3.08 -1.33 0.69 114.38 118.57 3kxf h ARG 170 Ca 0.15 -0.07 -0.12 0.00 0.07 0.00 0.00 59.98 60.01 3kxf h ARG 170 Cb 0.48 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 30.29 3kxf h ARG 170 CO 0.02 0.73 -0.37 1.88 -1.07 0.00 0.00 179.97 181.16 3kxf h TYR 171 N 1.14 0.68 -0.16 3.04 0.05 -1.03 -1.53 116.97 119.17 3kxf h TYR 171 Ca 0.42 -0.26 0.00 0.00 0.05 0.00 0.00 58.73 58.94 3kxf h TYR 171 Cb 0.16 -0.12 -0.01 0.00 1.01 0.00 0.00 36.73 37.77 3kxf h TYR 171 CO -0.00 1.00 0.11 -0.07 -1.05 0.00 0.00 178.16 178.15 3kxf h LEU 172 N 0.17 0.19 -0.09 3.88 3.38 -0.24 0.28 115.31 122.89 3kxf h LEU 172 Ca -0.00 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 3kxf h LEU 172 Cb 0.98 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.68 3kxf h LEU 172 CO 0.08 0.15 -0.05 -0.08 0.09 0.00 0.00 178.44 178.64 3kxf h GLU 173 N 0.21 0.19 -0.32 1.13 4.57 -0.97 -2.68 114.58 116.72 3kxf h GLU 173 Ca 0.06 -0.09 -0.08 0.00 -1.18 0.00 0.00 59.36 58.08 3kxf h GLU 173 Cb -0.01 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.56 3kxf h GLU 173 CO -0.01 0.55 -0.12 -0.91 -1.18 0.00 0.00 179.01 177.34 3kxf h ASN 174 N -0.17 0.53 -1.13 1.04 4.21 -1.21 -2.82 115.58 116.03 3kxf h ASN 174 Ca 0.02 -0.14 -0.65 0.00 1.21 0.00 0.00 56.30 56.74 3kxf h ASN 174 Cb 0.50 -0.14 -0.34 0.00 -1.12 0.00 0.00 38.32 37.21 3kxf h ASN 174 CO 0.01 0.69 0.23 0.61 -1.29 0.00 0.00 177.43 177.68 3kxf n GLY 175 N -0.59 6.00 0.44 2.83 0.00 0.08 -4.88 105.19 109.07 3kxf n GLY 175 Ca 0.01 -2.49 -0.15 0.00 0.00 0.00 0.00 46.02 43.38 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 2.27 -0.69 -0.67 1.61 1.57 -1.20 -2.34 116.57 117.11 3kxf h LYS 176 Ca 0.50 0.05 0.09 0.00 -1.87 0.00 0.00 60.65 59.42 3kxf h LYS 176 Cb 0.92 0.16 -0.04 0.00 0.08 0.00 0.00 32.23 33.35 3kxf h LYS 176 CO 1.24 -0.46 0.45 1.05 -0.57 0.00 0.00 179.45 181.16 3kxf h GLU 177 N -0.71 0.53 0.00 3.15 -0.00 -1.88 0.36 114.58 116.02 3kxf h GLU 177 Ca 0.01 -0.03 -0.02 0.00 -0.00 0.00 0.00 59.36 59.31 3kxf h GLU 177 Cb 0.72 -0.12 -0.00 0.00 -0.00 0.00 0.00 28.75 29.35 3kxf h GLU 177 CO -0.24 0.35 -0.55 1.79 -0.00 0.00 0.00 179.01 180.36 3kxf h THR 178 N 0.54 0.10 -0.88 -1.06 1.35 -1.94 -3.35 112.91 107.68 3kxf h THR 178 Ca 0.31 -1.13 0.01 0.00 -0.55 0.00 0.00 66.41 65.05 3kxf h THR 178 Cb 0.49 0.24 -0.04 0.00 -1.73 0.00 0.00 68.15 67.11 3kxf h THR 178 CO -0.10 0.03 0.58 -0.07 -0.25 0.00 0.00 175.52 175.72 3kxf h LEU 179 N -1.00 1.02 -0.00 3.87 3.38 -1.28 -2.04 115.31 119.25 3kxf h LEU 179 Ca -0.04 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3kxf h LEU 179 Cb 0.56 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3kxf h LEU 179 CO -0.02 0.74 -0.07 0.00 0.09 0.00 0.00 178.44 179.17 3kxf n GLN 180 N -4.40 0.01 -3.04 1.13 1.13 0.13 -4.85 117.38 107.50 3kxf n GLN 180 Ca 0.10 -0.00 -0.32 0.00 -1.94 0.00 0.00 57.00 54.84 3kxf n GLN 180 Cb 0.02 -1.50 -0.05 0.00 0.11 0.00 0.00 30.24 28.82 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 -2.99 3.94 -0.09 -1.09 3.52 -0.77 -5.05 118.95 116.42 3kxf s ARG 181 Ca 0.14 0.63 0.04 0.00 -0.13 0.00 0.00 55.73 56.41 3kxf s ARG 181 Cb 0.19 -2.41 -0.00 0.00 -1.56 0.00 0.00 34.95 31.17 3kxf s ARG 181 CO 0.55 0.09 -0.24 0.00 -0.81 0.00 0.00 175.30 174.89 3kxf s ALA 182 N -2.11 2.18 -0.36 6.12 0.00 -1.26 -4.90 121.76 121.43 3kxf s ALA 182 Ca 0.54 -0.99 -0.11 0.00 0.00 0.00 0.00 51.96 51.40 3kxf s ALA 182 Cb -0.10 -0.79 0.02 0.00 0.00 0.00 0.00 23.12 22.25 3kxf s ALA 182 CO 0.21 0.32 0.21 -0.51 0.00 0.00 0.00 175.76 175.99 3kxf s ASP 183 N 0.23 5.76 0.40 0.00 1.01 -0.41 -4.56 116.67 119.10 3kxf s ASP 183 Ca -0.15 -0.85 -0.27 0.00 0.71 0.00 0.00 52.55 51.98 3kxf s ASP 183 Cb -0.17 -2.04 -0.10 0.00 1.01 0.00 0.00 42.92 41.61 3kxf s ASP 183 CO 0.08 -0.35 1.43 -0.81 0.21 0.00 0.00 175.17 175.73 3kxf n PRO 184 N 5.02 2.42 -1.96 8.23 -0.04 -1.26 -2.86 135.00 144.56 3kxf n PRO 184 Ca -0.12 0.85 -0.37 0.00 -0.04 0.00 0.00 63.50 63.82 3kxf n PRO 184 Cb 0.47 -2.59 0.03 0.00 -0.04 0.00 0.00 33.50 31.37 3kxf n PRO 184 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 3kxf s PRO 185 N -2.18 3.22 -0.94 0.54 0.02 -1.26 -4.63 135.00 129.78 3kxf s PRO 185 Ca 0.56 2.01 -0.08 0.00 0.02 0.00 0.00 61.00 63.51 3kxf s PRO 185 Cb -0.48 -2.19 0.24 0.00 0.02 0.00 0.00 34.50 32.08 3kxf s PRO 185 CO 0.61 -1.05 0.87 0.15 -0.33 0.00 0.00 177.00 177.25 3kxf s LYS 186 N -2.98 3.66 0.40 5.54 1.02 -0.82 -4.84 119.74 121.72 3kxf s LYS 186 Ca 0.72 -2.96 -0.18 0.00 0.02 0.00 0.00 55.97 53.56 3kxf s LYS 186 Cb -0.35 -4.30 -0.10 0.00 -0.52 0.00 0.00 37.83 32.56 3kxf s LYS 186 CO 0.40 -1.25 0.87 0.95 -0.92 0.00 0.00 175.35 175.40 3kxf s THR 187 N -0.79 4.51 -0.03 2.17 -4.23 -1.26 -3.57 115.64 112.45 3kxf s THR 187 Ca 0.25 1.27 -0.30 0.00 -1.18 0.00 0.00 61.69 61.73 3kxf s THR 187 Cb -0.10 -3.61 0.07 0.00 1.34 0.00 0.00 72.50 70.19 3kxf s THR 187 CO -0.09 -0.30 0.68 -1.38 -0.54 0.00 0.00 174.62 172.99 3kxf s HIS 188 N -2.14 -0.64 -0.22 3.99 -3.43 -1.21 -5.01 115.29 106.63 3kxf s HIS 188 Ca 0.59 1.02 -0.06 0.00 -0.80 0.00 0.00 55.06 55.81 3kxf s HIS 188 Cb -0.09 0.43 -0.02 0.00 -1.43 0.00 0.00 32.58 31.46 3kxf s HIS 188 CO 0.16 -0.63 0.03 0.08 -2.00 0.00 0.00 174.74 172.37 3kxf s VAL 189 N -1.50 4.07 0.05 -5.38 1.01 -1.26 -1.54 120.40 115.85 3kxf s VAL 189 Ca -0.09 -0.26 0.07 0.00 0.00 0.00 0.00 61.98 61.69 3kxf s VAL 189 Cb -0.00 -2.87 -0.03 0.00 0.00 0.00 0.00 36.38 33.47 3kxf s VAL 189 CO 0.07 0.39 -0.15 0.28 0.00 0.00 0.00 175.10 175.69 3kxf s THR 190 N 1.31 3.02 -0.05 3.92 -1.32 -0.54 -4.75 115.64 117.23 3kxf s THR 190 Ca 0.04 -1.16 0.02 0.00 -1.21 0.00 0.00 61.69 59.38 3kxf s THR 190 Cb -0.15 -2.31 0.02 0.00 -1.51 0.00 0.00 72.50 68.55 3kxf s THR 190 CO 0.02 0.29 -0.08 -2.28 -2.21 0.00 0.00 174.62 170.36 3kxf s HIS 191 N -1.00 1.00 -0.10 9.09 5.65 -1.26 -0.93 115.29 127.74 3kxf s HIS 191 Ca 0.16 -0.31 -0.01 0.00 0.25 0.00 0.00 55.06 55.14 3kxf s HIS 191 Cb -0.11 -0.79 0.03 0.00 -1.18 0.00 0.00 32.58 30.54 3kxf s HIS 191 CO 0.07 -0.20 -0.00 -1.01 -0.65 0.00 0.00 174.74 172.95 3kxf s HIS 192 N 0.70 0.86 -0.35 3.88 3.76 -1.00 -4.96 115.29 118.17 3kxf s HIS 192 Ca -0.11 -0.38 -0.29 0.00 -0.15 0.00 0.00 55.06 54.13 3kxf s HIS 192 Cb -0.14 -0.91 -0.00 0.00 1.11 0.00 0.00 32.58 32.64 3kxf s HIS 192 CO 0.01 -0.41 1.50 -2.14 -0.85 0.00 0.00 174.74 172.86 3kxf s PRO 193 N 1.91 3.62 -0.13 8.40 0.02 -1.26 -0.65 135.00 146.92 3kxf s PRO 193 Ca 0.04 1.20 -0.21 0.00 0.02 0.00 0.00 61.00 62.05 3kxf s PRO 193 Cb -0.13 -4.04 -0.26 0.00 0.02 0.00 0.00 34.50 30.10 3kxf s PRO 193 CO -0.06 -1.51 0.57 -0.39 -0.33 0.00 0.00 177.00 175.28 3kxf h VAL 194 N 6.40 1.23 -5.02 3.83 -1.51 -1.81 -3.48 116.25 115.89 3kxf h VAL 194 Ca -0.29 -2.36 -0.38 0.00 -1.23 0.00 0.00 66.70 62.44 3kxf h VAL 194 Cb 1.12 2.81 -0.04 0.00 -2.13 0.00 0.00 31.29 33.05 3kxf h VAL 194 CO 1.05 0.60 -0.21 -1.20 -1.23 0.00 0.00 177.57 176.58 3kxf n SER 195 N -4.20 2.33 -0.00 4.19 7.64 -1.08 -4.96 113.62 117.54 3kxf n SER 195 Ca -0.22 -2.26 0.14 0.00 1.01 0.00 0.00 58.87 57.55 3kxf n SER 195 Cb 0.75 0.05 0.68 0.00 -1.01 0.00 0.00 64.21 64.68 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 -1.69 0.03 0.00 6.43 9.92 -1.26 -3.85 116.55 126.13 3kxf n ASP 196 Ca -0.05 0.13 0.00 0.00 -0.53 0.00 0.00 54.79 54.35 3kxf n ASP 196 Cb 0.40 -0.36 0.00 0.00 -0.64 0.00 0.00 41.12 40.52 3kxf n ASP 196 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3kxf n HIS 197 N -1.38 0.00 -4.19 1.24 1.44 -1.26 -4.90 115.22 106.17 3kxf n HIS 197 Ca 0.11 -0.11 -0.11 0.00 -2.01 0.00 0.00 57.72 55.59 3kxf n HIS 197 Cb 0.29 -0.01 -0.10 0.00 0.12 0.00 0.00 29.99 30.29 3kxf n HIS 197 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 3kxf s GLU 198 N -0.23 0.95 -0.07 -1.40 0.41 -1.25 -1.76 118.70 115.36 3kxf s GLU 198 Ca 0.00 -1.43 -0.30 0.00 -0.41 0.00 0.00 54.97 52.83 3kxf s GLU 198 Cb 0.00 -0.11 0.10 0.00 -1.78 0.00 0.00 34.13 32.33 3kxf s GLU 198 CO 0.00 -0.12 0.82 0.00 -0.49 0.00 0.00 175.26 175.47 3kxf s ALA 199 N -3.74 -1.82 0.22 5.21 0.00 -0.24 -2.34 121.76 119.05 3kxf s ALA 199 Ca 0.19 1.32 -0.03 0.00 0.00 0.00 0.00 51.96 53.43 3kxf s ALA 199 Cb 0.06 -0.15 -0.05 0.00 0.00 0.00 0.00 23.12 22.99 3kxf s ALA 199 CO -0.00 -0.42 0.44 0.99 0.00 0.00 0.00 175.76 176.77 3kxf s THR 200 N -1.61 5.13 -0.46 0.00 2.01 0.18 0.26 115.64 121.16 3kxf s THR 200 Ca -0.04 -0.15 0.03 0.00 0.31 0.00 0.00 61.69 61.84 3kxf s THR 200 Cb -0.00 -3.71 0.13 0.00 0.01 0.00 0.00 72.50 68.92 3kxf s THR 200 CO 0.03 -0.18 0.22 -0.76 -0.69 0.00 0.00 174.62 173.24 3kxf s LEU 201 N -3.28 3.51 -0.37 4.42 1.43 0.10 -2.39 118.68 122.11 3kxf s LEU 201 Ca 0.41 -2.70 -0.22 0.00 -1.03 0.00 0.00 54.13 50.59 3kxf s LEU 201 Cb -0.11 -1.33 0.01 0.00 0.03 0.00 0.00 46.19 44.79 3kxf s LEU 201 CO 0.28 -0.27 0.73 -0.60 0.23 0.00 0.00 176.35 176.73 3kxf s ARG 202 N 0.20 3.68 -0.33 1.70 3.52 -0.10 -2.73 118.95 124.89 3kxf s ARG 202 Ca 0.16 0.17 -0.15 0.00 -0.13 0.00 0.00 55.73 55.79 3kxf s ARG 202 Cb -0.24 -3.83 -0.02 0.00 -1.56 0.00 0.00 34.95 29.31 3kxf s ARG 202 CO -0.02 -0.84 0.35 0.00 -0.81 0.00 0.00 175.30 173.98 3kxf s TRP 204 N 1.99 3.49 -0.11 0.00 0.52 -0.59 -1.55 118.94 122.69 3kxf s TRP 204 Ca 0.11 0.19 -0.04 0.00 0.02 0.00 0.00 56.10 56.39 3kxf s TRP 204 Cb -0.16 -1.73 0.06 0.00 -1.15 0.00 0.00 33.47 30.49 3kxf s TRP 204 CO 0.11 0.50 0.22 0.00 0.02 0.00 0.00 176.95 177.81 3kxf s ALA 205 N -1.72 -0.39 0.24 0.98 0.00 -1.02 -3.31 121.76 116.55 3kxf s ALA 205 Ca 0.35 0.78 0.07 0.00 0.00 0.00 0.00 51.96 53.16 3kxf s ALA 205 Cb -0.11 -0.93 -0.05 0.00 0.00 0.00 0.00 23.12 22.03 3kxf s ALA 205 CO 0.28 -0.60 -0.10 -0.51 0.00 0.00 0.00 175.76 174.83 3kxf s LEU 206 N 2.35 2.51 -1.60 0.00 1.43 -1.23 -2.22 118.68 119.91 3kxf s LEU 206 Ca 0.02 -1.10 -0.05 0.00 -1.03 0.00 0.00 54.13 51.97 3kxf s LEU 206 Cb -0.12 -0.64 0.05 0.00 0.03 0.00 0.00 46.19 45.51 3kxf s LEU 206 CO -0.07 -0.26 0.12 0.61 0.23 0.00 0.00 176.35 176.98 3kxf n GLY 207 N -0.47 -0.18 3.32 -3.19 0.00 -0.64 -1.94 105.19 102.09 3kxf n GLY 207 Ca -0.07 0.16 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 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 -4.14 2.41 -0.05 1.61 -0.71 -1.12 -4.78 117.98 111.21 3kxf s PHE 208 Ca 0.17 -0.50 0.05 0.00 -1.04 0.00 0.00 56.93 55.62 3kxf s PHE 208 Cb -0.10 -1.55 -0.02 0.00 -1.21 0.00 0.00 43.02 40.14 3kxf s PHE 208 CO 1.00 -0.07 -0.21 -0.47 -1.34 0.00 0.00 175.22 174.13 3kxf s TYR 209 N -0.47 2.52 0.00 3.49 5.04 -1.13 -2.72 117.35 124.07 3kxf s TYR 209 Ca 0.06 -0.44 0.00 0.00 -2.44 0.00 0.00 57.07 54.25 3kxf s TYR 209 Cb -0.11 -1.60 0.00 0.00 0.35 0.00 0.00 41.96 40.60 3kxf s TYR 209 CO 0.01 -0.02 0.00 -0.35 -1.34 0.00 0.00 175.55 173.84 3kxf n PRO 210 N 2.62 3.50 0.07 4.97 -0.04 -1.26 -1.28 135.00 143.57 3kxf n PRO 210 Ca -0.17 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.19 3kxf n PRO 210 Cb 0.52 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.99 3kxf n PRO 210 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kxf h ALA 211 N -1.49 0.54 -2.41 0.55 0.00 -1.95 -3.46 119.26 111.04 3kxf h ALA 211 Ca 0.00 -0.66 -0.57 0.00 0.00 0.00 0.00 54.91 53.68 3kxf h ALA 211 Cb 0.00 -0.06 0.07 0.00 0.00 0.00 0.00 17.79 17.80 3kxf h ALA 211 CO 0.00 0.82 0.80 -1.91 0.00 0.00 0.00 179.25 178.97 3kxf n GLU 212 N -3.76 2.30 -3.65 0.00 4.07 -1.26 -4.98 120.64 113.36 3kxf n GLU 212 Ca -0.04 0.83 -0.04 0.00 -0.06 0.00 0.00 57.16 57.84 3kxf n GLU 212 Cb 0.76 -2.59 -0.07 0.00 -0.06 0.00 0.00 31.44 29.49 3kxf n GLU 212 CO 0.00 0.00 0.00 -1.50 -0.06 0.00 0.00 177.13 175.57 3kxf s ILE 213 N 0.64 0.00 -0.16 6.31 2.07 -1.26 -4.82 121.20 123.98 3kxf s ILE 213 Ca 0.74 0.00 -0.00 0.00 -1.41 0.00 0.00 60.65 59.98 3kxf s ILE 213 Cb -0.62 -1.00 0.04 0.00 0.13 0.00 0.00 42.46 41.01 3kxf s ILE 213 CO 0.41 0.00 -0.07 -0.89 -1.91 0.00 0.00 174.94 172.47 3kxf s THR 214 N -0.00 1.22 -0.14 4.00 2.01 -1.19 -4.99 115.64 116.54 3kxf s THR 214 Ca 0.07 -0.63 0.00 0.00 0.31 0.00 0.00 61.69 61.44 3kxf s THR 214 Cb -0.05 -1.33 -0.01 0.00 0.01 0.00 0.00 72.50 71.13 3kxf s THR 214 CO -0.13 0.21 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.10 3kxf s LEU 215 N 1.60 2.58 -0.00 4.42 1.43 -1.26 -2.61 118.68 124.84 3kxf s LEU 215 Ca 0.02 -0.41 0.02 0.00 -1.03 0.00 0.00 54.13 52.73 3kxf s LEU 215 Cb -0.15 -1.59 -0.01 0.00 0.03 0.00 0.00 46.19 44.48 3kxf s LEU 215 CO -0.08 0.12 -0.07 0.42 0.23 0.00 0.00 176.35 176.96 3kxf s THR 216 N 0.62 0.57 0.23 5.49 -4.23 -1.07 -4.98 115.64 112.27 3kxf s THR 216 Ca -0.08 -0.34 -0.02 0.00 -1.18 0.00 0.00 61.69 60.07 3kxf s THR 216 Cb -0.16 -0.49 -0.05 0.00 1.34 0.00 0.00 72.50 73.15 3kxf s THR 216 CO 0.03 0.14 0.44 0.26 -0.54 0.00 0.00 174.62 174.95 3kxf s TRP 217 N -0.22 3.48 -0.02 3.99 0.52 -1.26 -0.78 118.94 124.65 3kxf s TRP 217 Ca 0.02 0.45 -0.03 0.00 0.02 0.00 0.00 56.10 56.56 3kxf s TRP 217 Cb -0.03 -1.94 0.00 0.00 -1.15 0.00 0.00 33.47 30.35 3kxf s TRP 217 CO -0.00 0.32 0.07 -0.65 0.02 0.00 0.00 176.95 176.71 3kxf s GLN 218 N -3.36 0.15 -0.25 4.98 -0.21 -0.95 -1.42 119.66 118.60 3kxf s GLN 218 Ca 0.40 -0.02 0.03 0.00 0.02 0.00 0.00 55.36 55.79 3kxf s GLN 218 Cb -0.11 0.07 0.06 0.00 1.00 0.00 0.00 33.01 34.02 3kxf s GLN 218 CO 0.29 -0.03 -0.12 0.50 -2.12 0.00 0.00 175.29 173.82 3kxf s ARG 219 N -0.26 2.30 -1.43 2.91 3.52 -1.00 -3.18 118.95 121.81 3kxf s ARG 219 Ca -0.03 -1.28 0.00 0.00 -0.13 0.00 0.00 55.73 54.28 3kxf s ARG 219 Cb -0.02 -2.85 0.00 0.00 -1.56 0.00 0.00 34.95 30.52 3kxf s ARG 219 CO 0.00 -0.53 0.00 -0.25 -0.81 0.00 0.00 175.30 173.71 3kxf n ASP 220 N 4.46 -4.55 0.00 -2.12 8.00 -1.25 -1.56 116.55 119.53 3kxf n ASP 220 Ca -0.15 0.33 0.00 0.00 0.71 0.00 0.00 54.79 55.69 3kxf n ASP 220 Cb 0.43 -3.81 0.00 0.00 -0.02 0.00 0.00 41.12 37.71 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 -0.08 0.89 3.62 0.44 0.00 -1.26 -5.08 105.19 103.72 3kxf n GLY 221 Ca -0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.91 4.05 -0.48 1.61 0.41 -0.60 -5.01 118.70 117.77 3kxf s GLU 222 Ca 0.00 0.03 -0.28 0.00 -0.41 0.00 0.00 54.97 54.32 3kxf s GLU 222 Cb 0.00 -3.62 -0.08 0.00 -1.78 0.00 0.00 34.13 28.64 3kxf s GLU 222 CO 0.00 -0.20 2.39 -0.25 -0.49 0.00 0.00 175.26 176.71 3kxf n ASP 223 N 5.08 2.28 -3.44 -0.19 8.00 -1.26 -2.36 116.55 124.66 3kxf n ASP 223 Ca -0.09 -0.24 -0.35 0.00 0.71 0.00 0.00 54.79 54.82 3kxf n ASP 223 Cb 0.51 -1.49 -0.03 0.00 -0.02 0.00 0.00 41.12 40.09 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 8.85 2.25 0.00 -1.24 1.13 -0.51 -4.62 117.38 123.25 3kxf n GLN 224 Ca 0.39 -1.89 -0.02 0.00 -1.94 0.00 0.00 57.00 53.54 3kxf n GLN 224 Cb 0.45 -2.80 0.24 0.00 0.11 0.00 0.00 30.24 28.24 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 3.82 1.23 0.11 5.09 2.02 -1.87 -2.80 112.91 120.51 3kxf h THR 225 Ca 0.54 -1.04 -0.01 0.00 0.77 0.00 0.00 66.41 66.67 3kxf h THR 225 Cb 0.43 1.15 0.00 0.00 -1.74 0.00 0.00 68.15 68.00 3kxf h THR 225 CO 1.75 0.34 -0.05 1.56 0.37 0.00 0.00 175.52 179.49 3kxf h GLN 226 N 0.47 -0.14 -0.07 6.66 4.20 -2.00 -3.36 115.11 120.88 3kxf h GLN 226 Ca 0.09 0.01 -0.14 0.00 0.06 0.00 0.00 58.65 58.67 3kxf h GLN 226 Cb 0.51 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.31 3kxf h GLN 226 CO 0.03 0.37 -0.57 -0.44 -0.67 0.00 0.00 178.83 177.55 3kxf h ASP 227 N -0.81 0.24 -3.40 1.46 5.19 -1.96 -3.45 116.42 113.68 3kxf h ASP 227 Ca -0.01 -0.13 -0.53 0.00 -0.62 0.00 0.00 57.03 55.74 3kxf h ASP 227 Cb 0.57 -0.07 0.08 0.00 0.18 0.00 0.00 39.33 40.09 3kxf h ASP 227 CO 0.02 0.75 0.85 -0.89 -3.12 0.00 0.00 179.24 176.85 3kxf s THR 228 N -3.82 2.20 -0.43 0.35 2.01 -1.06 -4.67 115.64 110.22 3kxf s THR 228 Ca -0.04 0.17 -0.05 0.00 0.31 0.00 0.00 61.69 62.09 3kxf s THR 228 Cb 0.12 -3.11 0.11 0.00 0.01 0.00 0.00 72.50 69.64 3kxf s THR 228 CO 0.79 0.03 0.25 -0.70 -0.69 0.00 0.00 174.62 174.30 3kxf s GLU 229 N -0.64 2.15 -0.23 4.92 2.12 0.31 -4.95 118.70 122.40 3kxf s GLU 229 Ca 0.61 -1.82 -0.09 0.00 0.36 0.00 0.00 54.97 54.04 3kxf s GLU 229 Cb -0.46 -3.69 -0.04 0.00 0.26 0.00 0.00 34.13 30.19 3kxf s GLU 229 CO 0.48 -1.11 0.12 -1.17 -0.54 0.00 0.00 175.26 173.04 3kxf s LEU 230 N 1.19 3.91 0.69 2.70 2.96 -1.26 -2.41 118.68 126.45 3kxf s LEU 230 Ca 0.08 0.04 -0.09 0.00 -0.22 0.00 0.00 54.13 53.94 3kxf s LEU 230 Cb -0.24 -2.03 0.03 0.00 0.50 0.00 0.00 46.19 44.45 3kxf s LEU 230 CO -0.03 0.07 1.03 0.68 -1.32 0.00 0.00 176.35 176.78 3kxf s VAL 231 N 1.01 3.05 -0.09 1.68 -7.23 -1.10 -5.04 120.40 112.69 3kxf s VAL 231 Ca 0.06 0.10 -0.26 0.00 -1.81 0.00 0.00 61.98 60.07 3kxf s VAL 231 Cb -0.14 -3.30 -0.03 0.00 0.56 0.00 0.00 36.38 33.48 3kxf s VAL 231 CO 0.04 -0.35 0.84 -0.70 -0.31 0.00 0.00 175.10 174.61 3kxf s GLU 232 N -5.26 4.42 0.13 4.82 2.12 -1.26 -4.78 118.70 118.89 3kxf s GLU 232 Ca 0.58 1.10 -0.35 0.00 0.36 0.00 0.00 54.97 56.66 3kxf s GLU 232 Cb -0.11 -3.50 -0.16 0.00 0.26 0.00 0.00 34.13 30.62 3kxf s GLU 232 CO 0.48 -0.12 1.21 2.41 -0.54 0.00 0.00 175.26 178.70 3kxf n THR 233 N 4.17 0.51 -4.66 -1.70 -1.04 -1.26 -4.94 114.28 105.36 3kxf n THR 233 Ca 0.03 -0.13 -0.24 0.00 -2.04 0.00 0.00 64.05 61.68 3kxf n THR 233 Cb 0.50 -0.75 -0.15 0.00 -1.82 0.00 0.00 70.33 68.12 3kxf n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3kxf s ARG 234 N -0.03 1.27 0.80 -2.82 1.70 0.12 -4.99 118.95 115.00 3kxf s ARG 234 Ca 0.79 -0.72 -0.11 0.00 -0.47 0.00 0.00 55.73 55.22 3kxf s ARG 234 Cb -0.92 -1.28 0.07 0.00 -0.57 0.00 0.00 34.95 32.25 3kxf s ARG 234 CO 0.51 0.34 1.11 -1.25 -1.08 0.00 0.00 175.30 174.92 3kxf s PRO 235 N -0.74 1.98 -0.11 3.89 0.04 -1.26 -0.59 135.00 138.20 3kxf s PRO 235 Ca 0.06 1.30 0.15 0.00 0.04 0.00 0.00 61.00 62.55 3kxf s PRO 235 Cb -0.07 -1.86 -0.22 0.00 0.04 0.00 0.00 34.50 32.39 3kxf s PRO 235 CO 0.00 -1.87 0.16 0.00 0.04 0.00 0.00 177.00 175.34 3kxf n ALA 236 N -3.59 1.95 0.00 8.56 0.00 -0.55 -4.75 120.51 122.13 3kxf n ALA 236 Ca 0.10 -0.84 0.00 0.00 0.00 0.00 0.00 53.44 52.70 3kxf n ALA 236 Cb 0.53 -0.26 0.00 0.00 0.00 0.00 0.00 19.45 19.72 3kxf n ALA 236 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kxf n GLY 237 N 1.85 3.57 2.37 0.00 0.00 -1.26 -4.97 105.19 106.75 3kxf n GLY 237 Ca -0.18 -1.01 -0.35 0.00 0.00 0.00 0.00 46.02 44.48 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 7.56 -0.06 1.61 5.68 -1.26 -4.86 116.55 125.22 3kxf n ASP 238 Ca 0.00 -3.79 -0.01 0.00 -0.50 0.00 0.00 54.79 50.49 3kxf n ASP 238 Cb 0.00 -0.96 -0.00 0.00 -1.14 0.00 0.00 41.12 39.02 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 -0.87 -0.96 -3.42 0.11 1.74 -1.26 -5.01 116.66 106.99 3kxf n ARG 239 Ca 0.61 0.29 -0.20 0.00 -0.77 0.00 0.00 57.85 57.78 3kxf n ARG 239 Cb 0.63 -4.04 -0.01 0.00 -1.02 0.00 0.00 32.46 28.01 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 -1.58 2.64 0.18 0.55 -4.23 -1.26 -4.89 115.64 107.04 3kxf s THR 240 Ca 0.00 -1.25 0.07 0.00 -1.18 0.00 0.00 61.69 59.33 3kxf s THR 240 Cb 0.00 -2.89 -0.04 0.00 1.34 0.00 0.00 72.50 70.91 3kxf s THR 240 CO 0.00 0.00 -0.15 -0.36 -0.54 0.00 0.00 174.62 173.57 3kxf s PHE 241 N -2.48 1.64 0.01 3.99 0.40 -1.10 -1.48 117.98 118.97 3kxf s PHE 241 Ca 0.50 -0.56 -0.04 0.00 -0.60 0.00 0.00 56.93 56.23 3kxf s PHE 241 Cb -0.05 -0.79 -0.01 0.00 0.51 0.00 0.00 43.02 42.68 3kxf s PHE 241 CO 0.29 0.29 0.06 -0.65 0.70 0.00 0.00 175.22 175.91 3kxf s GLN 242 N -3.31 0.41 -0.28 0.44 -0.21 0.24 -1.62 119.66 115.32 3kxf s GLN 242 Ca 0.18 -0.51 -0.22 0.00 0.02 0.00 0.00 55.36 54.83 3kxf s GLN 242 Cb -0.02 0.16 0.11 0.00 1.00 0.00 0.00 33.01 34.26 3kxf s GLN 242 CO 0.06 -0.09 0.92 0.21 -2.12 0.00 0.00 175.29 174.27 3kxf s LYS 243 N -1.47 0.56 0.14 2.91 2.20 -0.94 -0.70 119.74 122.44 3kxf s LYS 243 Ca -0.15 0.77 0.04 0.00 -0.36 0.00 0.00 55.97 56.27 3kxf s LYS 243 Cb -0.08 0.22 -0.04 0.00 -1.51 0.00 0.00 37.83 36.41 3kxf s LYS 243 CO 0.00 -0.08 -0.09 1.67 -0.36 0.00 0.00 175.35 176.49 3kxf s TRP 244 N 0.70 1.22 0.11 4.03 1.48 -1.26 -2.42 118.94 122.81 3kxf s TRP 244 Ca -0.02 -0.80 0.08 0.00 -1.06 0.00 0.00 56.10 54.30 3kxf s TRP 244 Cb -0.05 -0.64 -0.04 0.00 -1.16 0.00 0.00 33.47 31.59 3kxf s TRP 244 CO -0.09 0.03 -0.19 0.00 -4.06 0.00 0.00 176.95 172.64 3kxf s ALA 245 N -3.38 1.76 -0.05 2.67 0.00 -0.60 -2.69 121.76 119.47 3kxf s ALA 245 Ca 0.17 -1.27 -0.05 0.00 0.00 0.00 0.00 51.96 50.80 3kxf s ALA 245 Cb 0.03 -0.20 0.01 0.00 0.00 0.00 0.00 23.12 22.96 3kxf s ALA 245 CO 0.00 0.30 0.14 0.00 0.00 0.00 0.00 175.76 176.20 3kxf s ALA 246 N -1.42 -0.35 0.04 0.00 0.00 -1.01 0.84 121.76 119.86 3kxf s ALA 246 Ca 0.08 0.32 0.04 0.00 0.00 0.00 0.00 51.96 52.39 3kxf s ALA 246 Cb -0.09 -0.18 -0.02 0.00 0.00 0.00 0.00 23.12 22.83 3kxf s ALA 246 CO 0.04 -0.09 -0.11 0.14 0.00 0.00 0.00 175.76 175.74 3kxf s VAL 247 N -0.15 0.87 0.03 0.00 -7.23 -1.10 -0.53 120.40 112.28 3kxf s VAL 247 Ca -0.02 -1.00 -0.23 0.00 -1.81 0.00 0.00 61.98 58.92 3kxf s VAL 247 Cb -0.02 -0.83 -0.06 0.00 0.56 0.00 0.00 36.38 36.03 3kxf s VAL 247 CO 0.00 -0.14 0.69 -0.69 -0.31 0.00 0.00 175.10 174.65 3kxf s VAL 248 N -1.01 4.79 0.05 1.32 1.01 -1.26 0.02 120.40 125.31 3kxf s VAL 248 Ca -0.02 1.45 0.05 0.00 0.00 0.00 0.00 61.98 63.46 3kxf s VAL 248 Cb -0.08 -4.03 -0.02 0.00 0.00 0.00 0.00 36.38 32.24 3kxf s VAL 248 CO 0.01 0.40 -0.14 0.68 0.00 0.00 0.00 175.10 176.04 3kxf s VAL 249 N -0.19 1.14 1.18 2.92 -7.23 0.14 -4.97 120.40 113.40 3kxf s VAL 249 Ca 0.35 -1.08 -0.16 0.00 -1.81 0.00 0.00 61.98 59.28 3kxf s VAL 249 Cb -0.20 -1.05 0.22 0.00 0.56 0.00 0.00 36.38 35.92 3kxf s VAL 249 CO 0.20 -0.03 0.56 -2.65 -0.31 0.00 0.00 175.10 172.87 3kxf n PRO 250 N 1.76 -2.34 0.33 4.82 -0.02 -1.26 -1.07 135.00 137.21 3kxf n PRO 250 Ca -0.19 -0.66 -0.14 0.00 -2.02 0.00 0.00 63.50 60.49 3kxf n PRO 250 Cb 0.54 -1.93 -0.07 0.00 -0.02 0.00 0.00 33.50 32.02 3kxf n PRO 250 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3kxf h SER 251 N -2.53 -0.88 -1.07 2.55 0.87 -1.68 -3.17 113.55 107.65 3kxf h SER 251 Ca -0.58 0.05 -0.61 0.00 -1.23 0.00 0.00 61.79 59.41 3kxf h SER 251 Cb 1.34 0.25 -0.25 0.00 -0.44 0.00 0.00 62.40 63.30 3kxf h SER 251 CO 0.43 -0.55 0.79 0.61 -0.53 0.00 0.00 176.83 177.58 3kxf n GLY 252 N -1.46 5.38 0.57 5.77 0.00 -1.26 -4.30 105.19 109.90 3kxf n GLY 252 Ca -0.11 -2.08 0.01 0.00 0.00 0.00 0.00 46.02 43.84 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 -0.50 0.06 -0.34 1.61 -0.58 -1.20 -4.79 120.64 114.90 3kxf n GLU 253 Ca 0.54 -1.17 0.03 0.00 -0.42 0.00 0.00 57.16 56.15 3kxf n GLU 253 Cb 0.57 -0.50 0.20 0.00 -0.57 0.00 0.00 31.44 31.14 3kxf n GLU 253 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 3kxf h GLU 254 N 0.09 1.09 -6.24 3.49 5.08 -1.75 -3.30 114.58 113.05 3kxf h GLU 254 Ca -0.02 -0.07 -0.55 0.00 -1.00 0.00 0.00 59.36 57.72 3kxf h GLU 254 Cb 1.43 -0.25 -0.04 0.00 0.50 0.00 0.00 28.75 30.39 3kxf h GLU 254 CO 0.01 0.72 0.38 -0.65 -1.00 0.00 0.00 179.01 178.47 3kxf s GLN 255 N -5.98 4.46 -0.31 2.33 -1.52 -1.26 -2.43 119.66 114.95 3kxf s GLN 255 Ca -0.12 1.26 0.02 0.00 -1.95 0.00 0.00 55.36 54.57 3kxf s GLN 255 Cb 0.20 -3.50 0.09 0.00 -0.22 0.00 0.00 33.01 29.58 3kxf s GLN 255 CO 0.81 -0.14 0.03 1.03 -0.25 0.00 0.00 175.29 176.77 3kxf s ARG 256 N 1.41 1.35 -0.17 2.91 0.52 -1.24 -5.05 118.95 118.68 3kxf s ARG 256 Ca 0.46 -1.46 0.01 0.00 -0.52 0.00 0.00 55.73 54.22 3kxf s ARG 256 Cb -0.19 -2.75 0.03 0.00 0.52 0.00 0.00 34.95 32.57 3kxf s ARG 256 CO 0.21 -0.86 -0.12 0.71 0.02 0.00 0.00 175.30 175.26 3kxf s TYR 257 N 1.20 2.27 -0.09 -0.53 1.51 -1.02 -3.75 117.35 116.93 3kxf s TYR 257 Ca 0.06 -1.40 -0.00 0.00 -1.01 0.00 0.00 57.07 54.72 3kxf s TYR 257 Cb -0.19 -1.60 -0.03 0.00 -0.11 0.00 0.00 41.96 40.03 3kxf s TYR 257 CO -0.12 -0.70 -0.07 0.95 -1.11 0.00 0.00 175.55 174.50 3kxf s THR 258 N 1.45 3.69 -0.34 -0.71 -4.23 -1.19 -4.44 115.64 109.87 3kxf s THR 258 Ca 0.02 -0.47 -0.10 0.00 -1.18 0.00 0.00 61.69 59.96 3kxf s THR 258 Cb -0.15 -2.54 0.00 0.00 1.34 0.00 0.00 72.50 71.16 3kxf s THR 258 CO -0.09 0.57 0.18 0.00 -0.54 0.00 0.00 174.62 174.73 3kxf s HIS 260 N 1.60 2.91 -0.08 0.00 3.76 0.04 -2.62 115.29 120.91 3kxf s HIS 260 Ca 0.04 -0.20 -0.08 0.00 -0.15 0.00 0.00 55.06 54.67 3kxf s HIS 260 Cb -0.18 -3.82 -0.04 0.00 1.11 0.00 0.00 32.58 29.65 3kxf s HIS 260 CO 0.07 -1.19 0.20 0.08 -0.85 0.00 0.00 174.74 173.04 3kxf s VAL 261 N 3.37 5.41 -0.05 -0.90 1.01 -0.11 -2.60 120.40 126.53 3kxf s VAL 261 Ca 0.24 0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.49 3kxf s VAL 261 Cb -0.15 -3.47 0.02 0.00 0.00 0.00 0.00 36.38 32.78 3kxf s VAL 261 CO 0.17 0.56 -0.02 -1.10 0.00 0.00 0.00 175.10 174.71 3kxf s GLN 262 N -1.19 0.66 0.18 2.72 -0.21 -1.07 -2.54 119.66 118.21 3kxf s GLN 262 Ca 0.19 -0.02 -0.22 0.00 0.02 0.00 0.00 55.36 55.33 3kxf s GLN 262 Cb -0.13 -0.78 0.06 0.00 1.00 0.00 0.00 33.01 33.16 3kxf s GLN 262 CO 0.08 -0.14 0.60 -1.58 -2.12 0.00 0.00 175.29 172.13 3kxf s HIS 263 N 1.15 -0.43 0.05 0.91 2.46 -1.26 -3.15 115.29 115.01 3kxf s HIS 263 Ca -0.08 0.17 -0.05 0.00 0.47 0.00 0.00 55.06 55.57 3kxf s HIS 263 Cb -0.14 0.56 -0.29 0.00 -0.13 0.00 0.00 32.58 32.58 3kxf s HIS 263 CO -0.01 -0.91 1.04 0.93 -2.47 0.00 0.00 174.74 173.31 3kxf h GLU 264 N 2.03 0.29 0.00 2.88 5.08 -1.92 -3.19 114.58 119.76 3kxf h GLU 264 Ca -0.31 -0.50 0.00 0.00 -1.00 0.00 0.00 59.36 57.55 3kxf h GLU 264 Cb 1.29 0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.73 3kxf h GLU 264 CO 0.36 1.21 0.00 0.41 -1.00 0.00 0.00 179.01 179.99 3kxf n GLY 265 N 1.59 -1.05 3.74 -3.84 0.00 -1.26 -4.65 105.19 99.72 3kxf n GLY 265 Ca -0.12 -0.02 -0.38 0.00 0.00 0.00 0.00 46.02 45.51 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 -3.35 4.30 0.31 0.99 1.43 -1.21 -4.22 118.68 116.93 3kxf s LEU 266 Ca 0.06 0.77 0.05 0.00 -1.03 0.00 0.00 54.13 53.98 3kxf s LEU 266 Cb 0.09 -2.61 0.51 0.00 0.03 0.00 0.00 46.19 44.22 3kxf s LEU 266 CO 0.29 0.07 1.76 -0.65 0.23 0.00 0.00 176.35 178.06 3kxf h PRO 267 N 6.41 0.37 -3.82 1.29 0.11 -1.86 -3.46 132.00 131.05 3kxf h PRO 267 Ca -0.43 -0.13 -0.16 0.00 0.11 0.00 0.00 66.00 65.40 3kxf h PRO 267 Cb 1.18 -0.03 -0.20 0.00 0.11 0.00 0.00 31.00 32.06 3kxf h PRO 267 CO 0.73 0.60 -0.61 0.15 -0.21 0.00 0.00 178.00 178.66 3kxf s LYS 268 N -4.48 0.41 -0.03 1.05 1.02 -1.26 -5.12 119.74 111.33 3kxf s LYS 268 Ca -0.06 -0.58 -0.30 0.00 0.02 0.00 0.00 55.97 55.06 3kxf s LYS 268 Cb 0.14 0.16 -0.06 0.00 -0.52 0.00 0.00 37.83 37.54 3kxf s LYS 268 CO 0.77 -0.08 1.74 -1.25 -0.92 0.00 0.00 175.35 175.61 3kxf s PRO 269 N -1.63 4.17 0.44 -1.68 0.04 -1.26 -4.91 135.00 130.16 3kxf s PRO 269 Ca -0.14 2.31 -0.10 0.00 0.04 0.00 0.00 61.00 63.11 3kxf s PRO 269 Cb -0.08 -4.02 -0.06 0.00 0.04 0.00 0.00 34.50 30.38 3kxf s PRO 269 CO -0.01 -0.87 0.80 -0.51 0.04 0.00 0.00 177.00 176.45 3kxf s LEU 270 N 4.12 3.74 -0.00 -3.56 1.43 -1.05 -4.90 118.68 118.46 3kxf s LEU 270 Ca 0.77 1.15 0.00 0.00 -1.03 0.00 0.00 54.13 55.02 3kxf s LEU 270 Cb -0.36 -4.06 0.00 0.00 0.03 0.00 0.00 46.19 41.81 3kxf s LEU 270 CO 0.33 -0.47 -0.00 -0.89 0.23 0.00 0.00 176.35 175.54 3kxf s THR 271 N -2.50 0.03 0.10 5.49 2.01 -1.26 -0.94 115.64 118.57 3kxf s THR 271 Ca 0.51 0.01 0.03 0.00 0.31 0.00 0.00 61.69 62.55 3kxf s THR 271 Cb -0.10 -0.06 -0.04 0.00 0.01 0.00 0.00 72.50 72.31 3kxf s THR 271 CO 0.35 0.03 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.46 3kxf s LEU 272 N 0.15 2.45 0.00 4.42 1.43 -1.08 -4.89 118.68 121.16 3kxf s LEU 272 Ca -0.01 -0.89 0.01 0.00 -1.03 0.00 0.00 54.13 52.20 3kxf s LEU 272 Cb -0.02 -0.18 -0.00 0.00 0.03 0.00 0.00 46.19 46.02 3kxf s LEU 272 CO -0.00 -0.36 0.03 0.54 0.23 0.00 0.00 176.35 176.79 3kxf n ARG 273 N 0.30 0.93 -3.62 1.70 1.74 -1.26 -1.88 116.66 114.57 3kxf n ARG 273 Ca -0.14 -0.79 -0.29 0.00 -0.77 0.00 0.00 57.85 55.86 3kxf n ARG 273 Cb 0.59 0.41 -0.03 0.00 -1.02 0.00 0.00 32.46 32.41 3kxf n ARG 273 CO 0.00 0.00 0.00 -0.46 -1.52 0.00 0.00 177.63 175.65 3kxf s TRP 274 N -1.84 3.48 0.25 -1.55 -0.00 -1.26 -4.61 118.94 113.40 3kxf s TRP 274 Ca 0.04 0.45 -0.30 0.00 -0.00 0.00 0.00 56.10 56.29 3kxf s TRP 274 Cb 0.00 -1.93 -0.09 0.00 -0.00 0.00 0.00 33.47 31.45 3kxf s TRP 274 CO 0.03 0.35 1.05 -1.21 -0.00 0.00 0.00 176.95 177.18 3kxf s GLU 275 N -3.22 4.69 0.00 5.86 0.41 -1.26 -5.07 118.70 120.12 3kxf s GLU 275 Ca 0.40 1.70 0.14 0.00 -0.41 0.00 0.00 54.97 56.80 3kxf s GLU 275 Cb -0.11 -3.23 0.86 0.00 -1.78 0.00 0.00 34.13 29.86 3kxf s GLU 275 CO 0.28 0.28 1.28 -0.35 -0.49 0.00 0.00 175.26 176.25