#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 4.15 0.78 1.61 1.04 -1.26 -5.05 113.70 114.97 3kxf s SER 2 Ca 0.00 -3.49 -0.11 0.00 0.48 0.00 0.00 55.95 52.83 3kxf s SER 2 Cb 0.00 -1.40 0.06 0.00 0.10 0.00 0.00 66.02 64.78 3kxf s SER 2 CO 0.00 -0.14 1.09 -1.00 0.98 0.00 0.00 173.24 174.17 3kxf s HIS 3 N -0.88 2.58 0.28 5.02 3.76 -1.26 -4.80 115.29 119.98 3kxf s HIS 3 Ca 0.24 1.51 -0.17 0.00 -0.15 0.00 0.00 55.06 56.49 3kxf s HIS 3 Cb -0.09 -3.05 0.01 0.00 1.11 0.00 0.00 32.58 30.56 3kxf s HIS 3 CO -0.13 -1.84 0.62 -1.54 -0.85 0.00 0.00 174.74 171.01 3kxf s SER 4 N -3.42 -0.14 -0.01 1.40 1.04 -1.26 -1.34 113.70 109.96 3kxf s SER 4 Ca 0.61 -0.80 0.03 0.00 0.48 0.00 0.00 55.95 56.28 3kxf s SER 4 Cb -0.17 0.68 -0.00 0.00 0.10 0.00 0.00 66.02 66.62 3kxf s SER 4 CO 0.56 -1.29 -0.10 -0.32 0.98 0.00 0.00 173.24 173.08 3kxf s MET 5 N -3.83 0.86 0.03 4.02 -2.45 -0.89 -1.50 119.30 115.53 3kxf s MET 5 Ca 0.16 -0.34 0.04 0.00 -1.25 0.00 0.00 55.69 54.30 3kxf s MET 5 Cb -0.04 -0.82 -0.02 0.00 1.25 0.00 0.00 34.83 35.20 3kxf s MET 5 CO 0.08 0.18 -0.11 1.03 1.05 0.00 0.00 175.02 177.26 3kxf s ARG 6 N -0.10 0.75 -0.07 4.11 1.81 -0.39 -2.42 118.95 122.65 3kxf s ARG 6 Ca 0.02 -0.64 0.06 0.00 -1.72 0.00 0.00 55.73 53.45 3kxf s ARG 6 Cb -0.05 -0.69 -0.01 0.00 -0.45 0.00 0.00 34.95 33.74 3kxf s ARG 6 CO -0.00 0.17 -0.25 0.71 -0.68 0.00 0.00 175.30 175.25 3kxf s TYR 7 N -0.81 2.43 -0.28 -0.53 1.51 0.21 -0.53 117.35 119.36 3kxf s TYR 7 Ca -0.01 -0.78 -0.03 0.00 -1.01 0.00 0.00 57.07 55.24 3kxf s TYR 7 Cb -0.07 -1.60 0.03 0.00 -0.11 0.00 0.00 41.96 40.21 3kxf s TYR 7 CO 0.01 -0.26 -0.01 -0.06 -1.11 0.00 0.00 175.55 174.12 3kxf s PHE 8 N -0.05 3.14 -0.06 2.71 0.40 0.13 -2.34 117.98 121.91 3kxf s PHE 8 Ca -0.07 -1.50 -0.10 0.00 -0.60 0.00 0.00 56.93 54.67 3kxf s PHE 8 Cb -0.15 -2.12 -0.05 0.00 0.51 0.00 0.00 43.02 41.21 3kxf s PHE 8 CO 0.05 -0.71 0.25 0.71 0.70 0.00 0.00 175.22 176.22 3kxf s TYR 9 N 1.35 3.65 -0.09 0.36 1.51 -0.09 -1.25 117.35 122.78 3kxf s TYR 9 Ca -0.01 0.71 -0.04 0.00 -1.01 0.00 0.00 57.07 56.73 3kxf s TYR 9 Cb -0.18 -2.08 0.05 0.00 -0.11 0.00 0.00 41.96 39.65 3kxf s TYR 9 CO -0.02 0.69 0.17 0.99 -1.11 0.00 0.00 175.55 176.28 3kxf s THR 10 N -1.08 -0.28 -0.21 -0.71 2.01 0.88 -1.70 115.64 114.56 3kxf s THR 10 Ca 0.20 0.33 0.01 0.00 0.31 0.00 0.00 61.69 62.53 3kxf s THR 10 Cb -0.14 -0.33 0.04 0.00 0.01 0.00 0.00 72.50 72.09 3kxf s THR 10 CO 0.09 0.13 -0.11 0.00 -0.69 0.00 0.00 174.62 174.03 3kxf s ALA 11 N 2.31 2.15 -0.21 7.40 0.00 -0.48 -0.59 121.76 132.34 3kxf s ALA 11 Ca 0.03 -1.32 -0.03 0.00 0.00 0.00 0.00 51.96 50.64 3kxf s ALA 11 Cb -0.12 -1.34 -0.01 0.00 0.00 0.00 0.00 23.12 21.65 3kxf s ALA 11 CO -0.06 -0.86 -0.07 1.41 0.00 0.00 0.00 175.76 176.18 3kxf s MET 12 N 1.33 3.34 0.79 0.00 1.75 -0.55 -2.02 119.30 123.93 3kxf s MET 12 Ca -0.02 -0.65 -0.11 0.00 -1.25 0.00 0.00 55.69 53.66 3kxf s MET 12 Cb -0.17 -2.92 0.06 0.00 2.84 0.00 0.00 34.83 34.64 3kxf s MET 12 CO -0.08 -0.15 1.09 -1.54 -0.65 0.00 0.00 175.02 173.68 3kxf s SER 13 N 1.33 4.47 -0.06 1.11 1.04 -0.46 -1.55 113.70 119.58 3kxf s SER 13 Ca 0.04 1.60 0.05 0.00 0.48 0.00 0.00 55.95 58.12 3kxf s SER 13 Cb -0.14 -2.34 -0.01 0.00 0.10 0.00 0.00 66.02 63.62 3kxf s SER 13 CO -0.03 -2.03 -0.23 -0.13 0.98 0.00 0.00 173.24 171.80 3kxf s ARG 14 N -4.99 2.64 0.26 4.02 0.52 -1.26 -4.31 118.95 115.83 3kxf s ARG 14 Ca 0.61 -0.87 0.13 0.00 -0.52 0.00 0.00 55.73 55.08 3kxf s ARG 14 Cb -0.16 -2.23 0.21 0.00 0.52 0.00 0.00 34.95 33.29 3kxf s ARG 14 CO 0.56 0.38 1.51 -1.00 0.02 0.00 0.00 175.30 176.77 3kxf h PRO 15 N 6.07 0.00 0.00 3.54 0.13 -1.82 -3.46 132.00 136.46 3kxf h PRO 15 Ca -0.32 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.64 3kxf h PRO 15 Cb 1.18 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.32 3kxf h PRO 15 CO 0.48 0.63 -0.02 0.41 -0.23 0.00 0.00 178.00 179.26 3kxf n GLY 16 N 0.82 1.97 3.65 1.56 0.00 -1.26 -4.87 105.19 107.07 3kxf n GLY 16 Ca 0.00 -2.16 -0.42 0.00 0.00 0.00 0.00 46.02 43.43 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 -2.88 4.11 0.00 1.61 3.52 -1.26 -4.90 118.95 119.15 3kxf s ARG 17 Ca 0.20 2.12 0.00 0.00 -0.13 0.00 0.00 55.73 57.93 3kxf s ARG 17 Cb -0.02 -4.00 0.00 0.00 -1.56 0.00 0.00 34.95 29.37 3kxf s ARG 17 CO 0.13 -0.93 0.00 0.41 -0.81 0.00 0.00 175.30 174.10 3kxf n GLY 18 N 4.24 1.99 3.83 8.12 0.00 -1.26 -5.11 105.19 116.99 3kxf n GLY 18 Ca 0.18 -1.62 -0.33 0.00 0.00 0.00 0.00 46.02 44.25 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 -1.75 3.86 1.00 1.61 8.01 -1.26 -4.82 118.70 125.35 3kxf s GLU 19 Ca 0.00 1.07 -0.12 0.00 0.01 0.00 0.00 54.97 55.93 3kxf s GLU 19 Cb 0.00 -2.12 0.15 0.00 -4.31 0.00 0.00 34.13 27.85 3kxf s GLU 19 CO 0.00 -0.35 0.81 -2.30 0.01 0.00 0.00 175.26 173.43 3kxf n PRO 20 N -1.45 -0.97 -4.40 0.39 -0.02 -1.26 -4.82 135.00 122.46 3kxf n PRO 20 Ca 0.07 -0.24 -0.34 0.00 -2.02 0.00 0.00 63.50 60.98 3kxf n PRO 20 Cb 0.54 -2.13 -0.12 0.00 -0.02 0.00 0.00 33.50 31.77 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 -4.20 3.60 -0.18 -0.52 3.52 -0.60 -4.96 118.95 115.61 3kxf s ARG 21 Ca 0.64 -0.51 -0.05 0.00 -0.13 0.00 0.00 55.73 55.68 3kxf s ARG 21 Cb -0.22 -2.90 -0.03 0.00 -1.56 0.00 0.00 34.95 30.25 3kxf s ARG 21 CO 0.63 0.29 -0.01 0.12 -0.81 0.00 0.00 175.30 175.52 3kxf s PHE 22 N 0.23 3.05 -0.06 5.12 5.36 -1.26 -1.49 117.98 128.92 3kxf s PHE 22 Ca -0.02 -0.34 0.02 0.00 -0.96 0.00 0.00 56.93 55.62 3kxf s PHE 22 Cb -0.14 -2.03 0.02 0.00 -0.34 0.00 0.00 43.02 40.53 3kxf s PHE 22 CO 0.03 -0.12 -0.10 0.42 -1.46 0.00 0.00 175.22 173.99 3kxf s ILE 23 N 0.66 0.98 -0.04 3.12 1.01 0.24 -1.55 121.20 125.62 3kxf s ILE 23 Ca -0.01 -0.38 0.03 0.00 0.00 0.00 0.00 60.65 60.29 3kxf s ILE 23 Cb -0.14 -0.93 0.01 0.00 0.01 0.00 0.00 42.46 41.41 3kxf s ILE 23 CO 0.02 0.32 -0.12 0.00 0.00 0.00 0.00 174.94 175.17 3kxf s ALA 24 N 0.80 1.17 -0.01 9.38 0.00 -0.95 -0.09 121.76 132.07 3kxf s ALA 24 Ca -0.12 -0.45 0.02 0.00 0.00 0.00 0.00 51.96 51.41 3kxf s ALA 24 Cb -0.15 -0.46 -0.00 0.00 0.00 0.00 0.00 23.12 22.50 3kxf s ALA 24 CO 0.02 0.16 -0.06 0.14 0.00 0.00 0.00 175.76 176.03 3kxf s VAL 25 N 0.35 0.45 -0.02 0.00 -7.23 -0.38 -0.65 120.40 112.92 3kxf s VAL 25 Ca -0.08 -0.24 0.06 0.00 -1.81 0.00 0.00 61.98 59.92 3kxf s VAL 25 Cb -0.12 -0.39 -0.02 0.00 0.56 0.00 0.00 36.38 36.41 3kxf s VAL 25 CO 0.02 0.13 -0.21 -0.83 -0.31 0.00 0.00 175.10 173.90 3kxf s GLY 26 N -0.10 1.41 -0.02 2.32 0.00 -0.03 0.21 107.32 111.11 3kxf s GLY 26 Ca 0.02 -1.09 0.04 0.00 0.00 0.00 0.00 44.72 43.68 3kxf s GLY 26 CO -0.00 -0.91 -0.12 -0.19 0.00 0.00 0.00 173.10 171.87 3kxf s TYR 27 N -0.71 1.17 -0.26 1.90 1.51 0.31 -0.50 117.35 120.77 3kxf s TYR 27 Ca 0.11 -0.26 -0.07 0.00 -1.01 0.00 0.00 57.07 55.84 3kxf s TYR 27 Cb -0.10 -0.78 -0.01 0.00 -0.11 0.00 0.00 41.96 40.95 3kxf s TYR 27 CO 0.01 -0.07 0.07 0.08 -1.11 0.00 0.00 175.55 174.53 3kxf s VAL 28 N -0.10 4.13 0.00 0.71 1.01 -0.24 -1.26 120.40 124.65 3kxf s VAL 28 Ca 0.01 -0.37 0.00 0.00 0.00 0.00 0.00 61.98 61.62 3kxf s VAL 28 Cb -0.07 -2.99 0.00 0.00 0.00 0.00 0.00 36.38 33.32 3kxf s VAL 28 CO 0.00 0.26 0.00 0.47 0.00 0.00 0.00 175.10 175.83 3kxf n ASP 29 N 4.90 0.00 -1.34 3.32 8.00 -0.56 -1.32 116.55 129.55 3kxf n ASP 29 Ca -0.16 0.00 -0.04 0.00 0.71 0.00 0.00 54.79 55.30 3kxf n ASP 29 Cb 0.50 0.00 0.22 0.00 -0.02 0.00 0.00 41.12 41.83 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 6.74 3.29 -4.07 -2.24 9.92 -1.26 -4.89 116.55 124.04 3kxf n ASP 30 Ca 0.00 -3.50 -0.32 0.00 -0.53 0.00 0.00 54.79 50.44 3kxf n ASP 30 Cb 0.00 -0.65 -0.15 0.00 -0.64 0.00 0.00 41.12 39.68 3kxf n ASP 30 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 3kxf s THR 31 N -3.12 2.28 0.48 -3.53 2.01 -0.43 -5.02 115.64 108.30 3kxf s THR 31 Ca 0.47 -1.80 -0.23 0.00 0.31 0.00 0.00 61.69 60.44 3kxf s THR 31 Cb 0.40 -2.43 -0.07 0.00 0.01 0.00 0.00 72.50 70.42 3kxf s THR 31 CO 0.05 -0.18 1.28 -1.58 -0.69 0.00 0.00 174.62 173.50 3kxf s GLN 32 N 1.06 3.55 0.00 4.92 0.74 -1.26 -1.08 119.66 127.60 3kxf s GLN 32 Ca -0.04 2.07 0.00 0.00 0.05 0.00 0.00 55.36 57.44 3kxf s GLN 32 Cb -0.20 -2.43 0.00 0.00 1.10 0.00 0.00 33.01 31.48 3kxf s GLN 32 CO -0.05 -0.80 0.00 1.97 -0.55 0.00 0.00 175.29 175.85 3kxf n PHE 33 N -0.56 0.00 -3.83 1.67 -1.74 0.34 -4.42 117.46 108.92 3kxf n PHE 33 Ca 0.08 0.00 -0.12 0.00 -0.56 0.00 0.00 57.45 56.85 3kxf n PHE 33 Cb 0.46 0.00 -0.11 0.00 1.52 0.00 0.00 39.48 41.35 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 -0.51 0.04 0.03 1.97 0.11 -1.21 0.24 120.40 121.08 3kxf s VAL 34 Ca 0.00 -0.33 -0.06 0.00 -2.93 0.00 0.00 61.98 58.66 3kxf s VAL 34 Cb 0.00 -0.36 -0.01 0.00 -1.53 0.00 0.00 36.38 34.48 3kxf s VAL 34 CO 0.00 -0.18 0.10 0.00 -3.33 0.00 0.00 175.10 171.69 3kxf s ARG 35 N -0.63 0.57 -0.01 1.54 1.70 -1.00 -0.85 118.95 120.27 3kxf s ARG 35 Ca -0.07 -0.70 -0.01 0.00 -0.47 0.00 0.00 55.73 54.48 3kxf s ARG 35 Cb -0.04 0.23 0.00 0.00 -0.57 0.00 0.00 34.95 34.56 3kxf s ARG 35 CO 0.01 -0.14 0.03 0.12 -1.08 0.00 0.00 175.30 174.24 3kxf s PHE 36 N -2.41 0.00 -0.10 5.89 2.19 0.18 -1.50 117.98 122.24 3kxf s PHE 36 Ca -0.07 0.00 -0.03 0.00 0.33 0.00 0.00 56.93 57.16 3kxf s PHE 36 Cb -0.02 -0.02 0.04 0.00 -1.31 0.00 0.00 43.02 41.71 3kxf s PHE 36 CO -0.04 -0.06 0.07 0.34 1.83 0.00 0.00 175.22 177.37 3kxf s ASP 37 N -0.25 1.73 0.51 6.13 -1.08 -1.26 -2.25 116.67 120.20 3kxf s ASP 37 Ca -0.03 -0.25 0.27 0.00 -0.52 0.00 0.00 52.55 52.02 3kxf s ASP 37 Cb -0.02 -0.21 1.34 0.00 -1.46 0.00 0.00 42.92 42.57 3kxf s ASP 37 CO -0.00 -0.29 2.02 0.77 0.52 0.00 0.00 175.17 178.19 3kxf h SER 38 N 8.42 0.00 0.73 -0.34 4.64 -1.68 -3.18 113.55 122.13 3kxf h SER 38 Ca -0.14 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.17 3kxf h SER 38 Cb 1.13 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.22 3kxf h SER 38 CO 0.22 0.14 -0.06 0.44 -0.87 0.00 0.00 176.83 176.70 3kxf h ASP 39 N 0.00 0.00 -4.29 4.97 5.19 -1.95 -3.44 116.42 116.90 3kxf h ASP 39 Ca -0.00 0.00 -0.52 0.00 -0.62 0.00 0.00 57.03 55.89 3kxf h ASP 39 Cb 0.43 0.00 0.15 0.00 0.18 0.00 0.00 39.33 40.08 3kxf h ASP 39 CO 0.02 0.06 0.29 0.00 -3.12 0.00 0.00 179.24 176.49 3kxf s ALA 40 N -3.84 2.04 0.04 3.45 0.00 -1.20 -4.98 121.76 117.27 3kxf s ALA 40 Ca -0.01 0.33 -0.18 0.00 0.00 0.00 0.00 51.96 52.11 3kxf s ALA 40 Cb 0.11 -3.31 -0.09 0.00 0.00 0.00 0.00 23.12 19.82 3kxf s ALA 40 CO 0.55 -2.03 1.27 0.00 0.00 0.00 0.00 175.76 175.55 3kxf h ALA 41 N -1.33 -0.97 -3.20 0.00 0.00 -1.92 -3.32 119.26 108.52 3kxf h ALA 41 Ca -0.44 -0.10 -0.69 0.00 0.00 0.00 0.00 54.91 53.69 3kxf h ALA 41 Cb 1.24 0.47 -0.36 0.00 0.00 0.00 0.00 17.79 19.14 3kxf h ALA 41 CO 0.49 -0.98 -0.49 -1.54 0.00 0.00 0.00 179.25 176.73 3kxf s SER 42 N -3.24 5.15 0.39 0.00 1.04 -1.26 -5.09 113.70 110.68 3kxf s SER 42 Ca -0.09 -2.46 -0.27 0.00 0.48 0.00 0.00 55.95 53.61 3kxf s SER 42 Cb 0.02 -1.81 -0.10 0.00 0.10 0.00 0.00 66.02 64.23 3kxf s SER 42 CO 0.29 -0.44 1.41 -2.84 0.98 0.00 0.00 173.24 172.64 3kxf s PRO 43 N 0.50 4.02 -0.25 4.02 0.02 -1.25 -5.01 135.00 137.05 3kxf s PRO 43 Ca 0.13 2.39 -0.23 0.00 0.02 0.00 0.00 61.00 63.31 3kxf s PRO 43 Cb -0.22 -2.87 0.07 0.00 0.02 0.00 0.00 34.50 31.50 3kxf s PRO 43 CO -0.04 -0.54 0.66 0.50 -0.33 0.00 0.00 177.00 177.26 3kxf s ARG 44 N -2.16 0.77 0.13 5.54 3.52 -1.26 -5.07 118.95 120.42 3kxf s ARG 44 Ca 0.55 0.94 -0.31 0.00 -0.13 0.00 0.00 55.73 56.78 3kxf s ARG 44 Cb -0.43 0.36 -0.08 0.00 -1.56 0.00 0.00 34.95 33.24 3kxf s ARG 44 CO 0.57 -0.10 1.38 -0.08 -0.81 0.00 0.00 175.30 176.26 3kxf s THR 45 N 0.43 3.26 -0.02 4.11 -1.32 -1.26 -4.72 115.64 116.12 3kxf s THR 45 Ca -0.01 0.93 0.06 0.00 -1.21 0.00 0.00 61.69 61.46 3kxf s THR 45 Cb -0.05 -3.59 -0.03 0.00 -1.51 0.00 0.00 72.50 67.32 3kxf s THR 45 CO -0.00 0.09 -0.19 -1.61 -2.21 0.00 0.00 174.62 170.69 3kxf s GLU 46 N 0.84 2.26 0.50 7.08 2.02 -0.56 -4.99 118.70 125.85 3kxf s GLU 46 Ca 0.63 -0.85 -0.21 0.00 0.02 0.00 0.00 54.97 54.57 3kxf s GLU 46 Cb -0.37 -2.22 -0.07 0.00 0.10 0.00 0.00 34.13 31.57 3kxf s GLU 46 CO 0.32 0.58 1.12 -1.25 0.02 0.00 0.00 175.26 176.05 3kxf s PRO 47 N -0.87 3.60 -0.12 0.39 0.04 -1.26 -2.36 135.00 134.41 3kxf s PRO 47 Ca 0.12 1.61 0.21 0.00 0.04 0.00 0.00 61.00 62.98 3kxf s PRO 47 Cb -0.10 -2.17 0.41 0.00 0.04 0.00 0.00 34.50 32.68 3kxf s PRO 47 CO 0.01 -0.65 1.16 0.54 0.04 0.00 0.00 177.00 178.10 3kxf n ARG 48 N -0.94 0.71 -3.65 4.56 5.12 0.14 -4.87 116.66 117.73 3kxf n ARG 48 Ca 0.10 -2.38 0.01 0.00 -1.93 0.00 0.00 57.85 53.65 3kxf n ARG 48 Cb 0.50 -0.49 -0.06 0.00 -1.16 0.00 0.00 32.46 31.25 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 -1.33 -2.60 0.36 7.54 0.00 -1.25 -4.29 121.76 120.19 3kxf s ALA 49 Ca 0.26 2.01 0.19 0.00 0.00 0.00 0.00 51.96 54.42 3kxf s ALA 49 Cb 0.33 -1.94 1.29 0.00 0.00 0.00 0.00 23.12 22.80 3kxf s ALA 49 CO -0.10 -0.32 1.58 -1.35 0.00 0.00 0.00 175.76 175.57 3kxf h PRO 50 N 5.24 0.01 0.00 0.00 0.11 -1.96 -2.05 132.00 133.35 3kxf h PRO 50 Ca -0.27 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 3kxf h PRO 50 Cb 1.16 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3kxf h PRO 50 CO 0.23 0.00 0.00 -2.67 -0.21 0.00 0.00 178.00 175.35 3kxf n TRP 51 N -5.28 0.00 -0.07 0.65 4.27 -1.26 -3.40 117.44 112.35 3kxf n TRP 51 Ca 0.36 0.00 -0.04 0.00 -3.89 0.00 0.00 57.50 53.93 3kxf n TRP 51 Cb 1.23 -0.36 -0.16 0.00 -1.36 0.00 0.00 31.31 30.66 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 -1.36 1.00 0.20 -1.67 0.13 -0.77 -4.29 119.36 112.61 3kxf n ILE 52 Ca 0.10 -0.76 0.17 0.00 -1.10 0.00 0.00 62.75 61.16 3kxf n ILE 52 Cb 0.24 -0.34 0.68 0.00 -0.84 0.00 0.00 39.64 39.38 3kxf n ILE 52 CO 0.00 0.00 0.00 -0.33 2.80 0.00 0.00 176.55 179.02 3kxf h GLU 53 N 0.00 0.00 0.00 9.51 5.08 -1.67 0.40 114.58 127.90 3kxf h GLU 53 Ca -0.39 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 3kxf h GLU 53 Cb 1.90 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.15 3kxf h GLU 53 CO 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.03 3kxf n GLN 54 N -3.19 0.35 -2.40 2.33 10.64 -1.26 -4.75 117.38 119.09 3kxf n GLN 54 Ca 0.04 0.02 -0.41 0.00 -1.83 0.00 0.00 57.00 54.82 3kxf n GLN 54 Cb 0.62 -1.50 -0.04 0.00 -0.86 0.00 0.00 30.24 28.47 3kxf n GLN 54 CO 0.00 0.00 0.00 -1.21 -1.83 0.00 0.00 177.06 174.02 3kxf s GLU 55 N -2.63 4.55 1.21 2.61 0.41 0.13 -5.04 118.70 119.93 3kxf s GLU 55 Ca 0.25 1.86 -0.20 0.00 -0.41 0.00 0.00 54.97 56.47 3kxf s GLU 55 Cb 0.19 -3.21 0.29 0.00 -1.78 0.00 0.00 34.13 29.62 3kxf s GLU 55 CO 0.44 0.03 1.13 0.20 -0.49 0.00 0.00 175.26 176.57 3kxf s GLY 56 N -0.31 1.60 0.48 -1.39 0.00 -1.26 -4.87 107.32 101.57 3kxf s GLY 56 Ca 0.49 -1.02 0.22 0.00 0.00 0.00 0.00 44.72 44.41 3kxf s GLY 56 CO 0.39 -0.12 2.01 -0.56 0.00 0.00 0.00 173.10 174.82 3kxf h PRO 57 N -2.58 0.00 -0.38 2.90 0.13 -1.97 -2.26 132.00 127.84 3kxf h PRO 57 Ca -0.44 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.63 3kxf h PRO 57 Cb 1.28 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.40 3kxf h PRO 57 CO 0.32 0.18 -0.04 0.93 -0.23 0.00 0.00 178.00 179.16 3kxf h GLU 58 N 0.00 0.62 0.21 0.86 3.07 -1.99 -2.43 114.58 114.92 3kxf h GLU 58 Ca -0.00 -0.16 -0.01 0.00 -0.50 0.00 0.00 59.36 58.69 3kxf h GLU 58 Cb 0.39 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.23 3kxf h GLU 58 CO 0.02 0.67 -0.10 -0.92 -1.40 0.00 0.00 179.01 177.28 3kxf h TYR 59 N 0.58 -0.27 -0.65 4.33 3.20 -1.75 -1.39 116.97 121.03 3kxf h TYR 59 Ca 0.12 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.94 3kxf h TYR 59 Cb 0.42 0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.75 3kxf h TYR 59 CO 0.02 0.02 0.25 -1.49 -1.64 0.00 0.00 178.16 175.32 3kxf h TRP 60 N -0.54 1.00 -0.45 -3.82 4.06 -1.56 -0.35 115.95 114.29 3kxf h TRP 60 Ca -0.03 -0.08 0.04 0.00 2.06 0.00 0.00 58.89 60.88 3kxf h TRP 60 Cb 0.40 -0.30 -0.04 0.00 -1.00 0.00 0.00 29.16 28.23 3kxf h TRP 60 CO 0.01 0.79 0.21 -0.44 -3.56 0.00 0.00 178.44 175.46 3kxf h ASP 61 N 0.92 0.30 -0.73 -3.49 5.19 -1.47 0.12 116.42 117.25 3kxf h ASP 61 Ca 0.22 0.03 0.08 0.00 -0.62 0.00 0.00 57.03 56.73 3kxf h ASP 61 Cb 0.22 -0.02 -0.06 0.00 0.18 0.00 0.00 39.33 39.64 3kxf h ASP 61 CO -0.02 0.21 0.40 -0.09 -3.12 0.00 0.00 179.24 176.63 3kxf h ARG 62 N 0.43 0.68 0.59 3.56 2.43 -0.46 -1.09 114.38 120.52 3kxf h ARG 62 Ca 0.20 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.30 3kxf h ARG 62 Cb 0.12 -0.15 0.01 0.00 -0.42 0.00 0.00 29.97 29.52 3kxf h ARG 62 CO -0.15 0.45 -0.28 -0.91 -1.51 0.00 0.00 179.97 177.57 3kxf h ASN 63 N 0.70 -0.67 -0.72 -3.80 -0.26 -0.64 -3.11 115.58 107.09 3kxf h ASN 63 Ca 0.34 -0.03 0.16 0.00 -0.56 0.00 0.00 56.30 56.21 3kxf h ASN 63 Cb 0.29 0.17 -0.13 0.00 -1.06 0.00 0.00 38.32 37.59 3kxf h ASN 63 CO -0.22 -0.35 -0.04 0.74 -1.06 0.00 0.00 177.43 176.50 3kxf h THR 64 N -1.00 0.35 -0.40 2.81 2.02 -0.49 0.24 112.91 116.44 3kxf h THR 64 Ca -0.08 -0.03 0.08 0.00 0.77 0.00 0.00 66.41 67.15 3kxf h THR 64 Cb 0.67 0.27 -0.08 0.00 -1.74 0.00 0.00 68.15 67.26 3kxf h THR 64 CO 0.13 0.01 -0.12 0.00 0.37 0.00 0.00 175.52 175.92 3kxf h ALA 65 N 1.68 0.24 -0.04 6.16 0.00 -1.25 0.15 119.26 126.21 3kxf h ALA 65 Ca 0.38 0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.45 3kxf h ALA 65 Cb 0.64 0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 3kxf h ALA 65 CO -0.66 -0.47 0.02 0.82 0.00 0.00 0.00 179.25 178.97 3kxf h ILE 66 N -0.02 1.05 -0.02 0.00 2.04 -0.91 -2.03 117.51 117.61 3kxf h ILE 66 Ca 0.20 -0.14 -0.08 0.00 1.00 0.00 0.00 64.86 65.83 3kxf h ILE 66 Cb 0.32 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.47 3kxf h ILE 66 CO -0.43 0.04 -0.36 -0.26 0.00 0.00 0.00 178.15 177.15 3kxf h PHE 67 N -0.00 0.05 -0.46 1.37 0.04 -0.93 -0.36 116.94 116.65 3kxf h PHE 67 Ca 0.01 -0.01 -0.13 0.00 2.80 0.00 0.00 57.97 60.64 3kxf h PHE 67 Cb 0.05 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.18 3kxf h PHE 67 CO -0.06 0.40 -0.22 0.87 -0.60 0.00 0.00 178.31 178.70 3kxf h LYS 68 N 0.04 0.97 -0.20 1.51 1.57 -0.82 0.68 116.57 120.33 3kxf h LYS 68 Ca 0.00 -0.42 -0.12 0.00 -1.87 0.00 0.00 60.65 58.24 3kxf h LYS 68 Cb 0.65 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 3kxf h LYS 68 CO 0.05 1.09 -0.38 0.00 -0.57 0.00 0.00 179.45 179.64 3kxf h ALA 69 N 0.85 0.99 -0.05 3.86 0.00 -0.88 -2.16 119.26 121.87 3kxf h ALA 69 Ca 0.10 -0.41 -0.17 0.00 0.00 0.00 0.00 54.91 54.43 3kxf h ALA 69 Cb 0.80 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 3kxf h ALA 69 CO 0.07 0.61 -0.72 -0.91 0.00 0.00 0.00 179.25 178.29 3kxf h ASN 70 N 0.36 0.32 -0.96 0.00 2.35 -1.00 0.52 115.58 117.17 3kxf h ASN 70 Ca 0.04 -0.21 0.12 0.00 -0.55 0.00 0.00 56.30 55.69 3kxf h ASN 70 Cb 0.83 -0.10 -0.08 0.00 0.05 0.00 0.00 38.32 39.03 3kxf h ASN 70 CO 0.07 0.94 0.61 0.74 -1.65 0.00 0.00 177.43 178.14 3kxf h THR 71 N 0.18 0.92 0.00 2.81 2.02 -0.46 0.20 112.91 118.57 3kxf h THR 71 Ca -0.02 -0.32 -0.03 0.00 0.77 0.00 0.00 66.41 66.80 3kxf h THR 71 Cb 1.29 -0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.61 3kxf h THR 71 CO 0.11 0.17 -0.21 1.56 0.37 0.00 0.00 175.52 177.53 3kxf h GLN 72 N 0.92 0.00 0.00 6.66 1.08 -1.19 -2.92 115.11 119.67 3kxf h GLN 72 Ca 0.47 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.67 3kxf h GLN 72 Cb 0.50 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.93 3kxf h GLN 72 CO -0.23 0.78 -0.00 1.15 -0.95 0.00 0.00 178.83 179.57 3kxf h THR 73 N -1.00 0.26 0.04 -0.54 2.02 -0.85 -0.26 112.91 112.58 3kxf h THR 73 Ca -0.05 -0.02 -0.25 0.00 0.77 0.00 0.00 66.41 66.86 3kxf h THR 73 Cb 0.84 1.01 -0.02 0.00 -1.74 0.00 0.00 68.15 68.24 3kxf h THR 73 CO -0.03 0.00 -1.26 1.88 0.37 0.00 0.00 175.52 176.48 3kxf h TYR 74 N 0.00 0.15 -1.00 3.16 -1.99 -1.06 -1.67 116.97 114.56 3kxf h TYR 74 Ca -0.00 -0.11 0.07 0.00 2.00 0.00 0.00 58.73 60.69 3kxf h TYR 74 Cb 0.01 -0.01 -0.07 0.00 2.00 0.00 0.00 36.73 38.67 3kxf h TYR 74 CO 0.00 1.11 0.64 0.00 -0.00 0.00 0.00 178.16 179.92 3kxf h ARG 75 N 0.02 1.12 -0.25 4.88 3.08 -0.86 0.32 114.38 122.69 3kxf h ARG 75 Ca -0.12 -0.07 -0.15 0.00 0.07 0.00 0.00 59.98 59.71 3kxf h ARG 75 Cb 1.89 -0.25 -0.00 0.00 0.08 0.00 0.00 29.97 31.68 3kxf h ARG 75 CO 0.14 0.74 -0.43 1.49 -1.07 0.00 0.00 179.97 180.84 3kxf h GLU 76 N 1.16 0.74 -0.42 0.04 4.81 -1.43 -2.99 114.58 116.49 3kxf h GLU 76 Ca 0.44 -0.46 0.01 0.00 -0.13 0.00 0.00 59.36 59.22 3kxf h GLU 76 Cb 0.19 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.60 3kxf h GLU 76 CO -0.18 1.08 0.28 0.77 -0.73 0.00 0.00 179.01 180.23 3kxf h SER 77 N 0.48 0.47 1.53 1.04 0.02 -0.66 -0.88 113.55 115.54 3kxf h SER 77 Ca 0.02 -0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 60.90 3kxf h SER 77 Cb 1.03 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.45 3kxf h SER 77 CO 0.10 0.34 -0.49 -0.07 -1.14 0.00 0.00 176.83 175.57 3kxf h LEU 78 N 0.55 0.00 0.09 5.07 3.38 -0.96 -1.67 115.31 121.76 3kxf h LEU 78 Ca 0.16 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.87 3kxf h LEU 78 Cb -0.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3kxf h LEU 78 CO -0.04 0.23 -1.21 -0.09 0.09 0.00 0.00 178.44 177.43 3kxf h ARG 79 N 0.00 0.18 -0.09 1.13 2.43 -1.31 -3.25 114.38 113.47 3kxf h ARG 79 Ca -0.02 -0.31 -0.13 0.00 -0.81 0.00 0.00 59.98 58.71 3kxf h ARG 79 Cb 1.20 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.85 3kxf h ARG 79 CO 0.03 1.13 -0.51 -0.91 -1.51 0.00 0.00 179.97 178.19 3kxf h ASN 80 N 0.05 0.25 1.67 -3.80 -0.26 -1.13 -3.00 115.58 109.36 3kxf h ASN 80 Ca -0.11 -0.13 0.00 0.00 -0.56 0.00 0.00 56.30 55.50 3kxf h ASN 80 Cb 1.92 -0.07 0.00 0.00 -1.06 0.00 0.00 38.32 39.10 3kxf h ASN 80 CO 0.17 0.73 -0.30 -0.07 -1.06 0.00 0.00 177.43 176.90 3kxf h LEU 81 N 0.18 0.00 0.00 1.61 4.07 -1.39 -2.11 115.31 117.67 3kxf h LEU 81 Ca 0.01 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3kxf h LEU 81 Cb 0.97 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.71 3kxf h LEU 81 CO 0.08 0.00 -0.40 -2.11 -1.08 0.00 0.00 178.44 174.94 3kxf n ARG 82 N -2.92 0.25 0.08 1.13 1.85 -1.23 -3.35 116.66 112.48 3kxf n ARG 82 Ca 0.03 0.12 -0.10 0.00 -1.00 0.00 0.00 57.85 56.90 3kxf n ARG 82 Cb 0.53 -1.70 -0.09 0.00 -1.05 0.00 0.00 32.46 30.15 3kxf n ARG 82 CO 0.00 0.00 0.00 0.78 -0.01 0.00 0.00 177.63 178.40 3kxf h GLY 83 N 4.57 0.16 2.00 2.89 0.00 -1.33 -1.63 103.07 109.72 3kxf h GLY 83 Ca 0.00 -0.35 -0.06 0.00 0.00 0.00 0.00 47.33 46.92 3kxf h GLY 83 CO 0.00 0.31 -0.29 -0.97 0.00 0.00 0.00 176.54 175.59 3kxf h TYR 84 N 0.05 0.00 -0.14 5.60 0.05 -1.45 -3.28 116.97 117.80 3kxf h TYR 84 Ca -0.06 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.72 3kxf h TYR 84 Cb 1.74 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.48 3kxf h TYR 84 CO 0.03 0.29 0.00 0.66 -1.05 0.00 0.00 178.16 178.09 3kxf n TYR 85 N -3.25 0.17 -2.20 4.88 0.53 -1.21 -4.83 117.16 111.25 3kxf n TYR 85 Ca 0.02 -0.14 -0.09 0.00 -1.02 0.00 0.00 57.90 56.66 3kxf n TYR 85 Cb 0.58 -0.01 -0.01 0.00 -1.03 0.00 0.00 39.34 38.87 3kxf n TYR 85 CO 0.00 0.00 0.00 -1.71 -1.02 0.00 0.00 176.86 174.13 3kxf n ASN 86 N 0.83 -3.05 -4.80 7.72 2.85 -1.06 -4.96 115.26 112.79 3kxf n ASN 86 Ca 0.11 0.26 -0.35 0.00 -0.11 0.00 0.00 54.58 54.48 3kxf n ASN 86 Cb 0.40 -2.70 -0.07 0.00 1.24 0.00 0.00 39.78 38.65 3kxf n ASN 86 CO 0.00 0.00 0.00 -1.10 -2.11 0.00 0.00 177.26 174.05 3kxf s GLN 87 N -4.54 4.39 0.00 1.20 -0.21 -0.64 -5.03 119.66 114.83 3kxf s GLN 87 Ca 0.00 1.18 0.00 0.00 0.02 0.00 0.00 55.36 56.56 3kxf s GLN 87 Cb 0.00 -2.53 0.00 0.00 1.00 0.00 0.00 33.01 31.48 3kxf s GLN 87 CO 0.00 0.15 0.00 -1.13 -2.12 0.00 0.00 175.29 172.19 3kxf n SER 88 N 0.03 0.00 -0.00 5.90 3.41 -1.26 -4.55 113.62 117.15 3kxf n SER 88 Ca 0.04 0.00 -0.00 0.00 -0.26 0.00 0.00 58.87 58.65 3kxf n SER 88 Cb 0.52 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.47 3kxf n SER 88 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3kxf n GLU 89 N 0.00 2.66 -0.10 4.33 1.02 -1.26 -4.68 120.64 122.61 3kxf n GLU 89 Ca 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 57.17 3kxf n GLU 89 Cb 0.00 -1.01 0.35 0.00 -0.02 0.00 0.00 31.44 30.75 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 0.01 1.60 -2.03 0.62 0.00 -1.89 -3.42 119.26 114.15 3kxf h ALA 90 Ca -0.01 -0.04 -0.57 0.00 0.00 0.00 0.00 54.91 54.29 3kxf h ALA 90 Cb 1.02 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 3kxf h ALA 90 CO -0.00 0.37 1.25 0.20 0.00 0.00 0.00 179.25 181.06 3kxf s GLY 91 N -3.54 1.02 -0.07 0.00 0.00 -1.26 -4.32 107.32 99.14 3kxf s GLY 91 Ca -0.09 0.61 -0.26 0.00 0.00 0.00 0.00 44.72 44.97 3kxf s GLY 91 CO 0.75 3.29 0.85 -0.45 0.00 0.00 0.00 173.10 177.54 3kxf s SER 92 N 5.49 7.12 0.31 1.64 0.15 -1.26 -4.86 113.70 122.29 3kxf s SER 92 Ca 0.82 1.36 0.05 0.00 0.70 0.00 0.00 55.95 58.88 3kxf s SER 92 Cb -0.28 -2.48 -0.06 0.00 -1.71 0.00 0.00 66.02 61.48 3kxf s SER 92 CO 0.33 -0.26 -0.00 -1.00 1.20 0.00 0.00 173.24 173.51 3kxf s HIS 93 N 1.30 1.99 -0.06 3.44 3.76 -1.26 -4.93 115.29 119.54 3kxf s HIS 93 Ca 0.43 -0.81 -0.01 0.00 -0.15 0.00 0.00 55.06 54.52 3kxf s HIS 93 Cb -0.18 -1.24 0.03 0.00 1.11 0.00 0.00 32.58 32.29 3kxf s HIS 93 CO 0.20 0.17 0.00 0.42 -0.85 0.00 0.00 174.74 174.68 3kxf s ILE 94 N -3.12 0.31 -0.17 0.60 1.01 -1.26 -1.35 121.20 117.21 3kxf s ILE 94 Ca 0.33 0.12 -0.09 0.00 0.00 0.00 0.00 60.65 61.01 3kxf s ILE 94 Cb 0.06 -0.45 -0.05 0.00 0.01 0.00 0.00 42.46 42.04 3kxf s ILE 94 CO 0.14 0.23 0.12 -0.63 0.00 0.00 0.00 174.94 174.79 3kxf s ILE 95 N 1.68 5.32 0.31 2.92 1.01 -0.85 0.72 121.20 132.31 3kxf s ILE 95 Ca 0.00 0.15 0.10 0.00 0.00 0.00 0.00 60.65 60.90 3kxf s ILE 95 Cb -0.13 -3.39 -0.05 0.00 0.01 0.00 0.00 42.46 38.90 3kxf s ILE 95 CO -0.04 0.49 -0.06 -1.10 0.00 0.00 0.00 174.94 174.24 3kxf s GLN 96 N -0.03 1.99 -0.18 2.79 -0.21 -0.02 -1.38 119.66 122.62 3kxf s GLN 96 Ca 0.09 -1.71 -0.10 0.00 0.02 0.00 0.00 55.36 53.66 3kxf s GLN 96 Cb -0.11 -1.91 0.06 0.00 1.00 0.00 0.00 33.01 32.05 3kxf s GLN 96 CO -0.00 0.23 0.44 0.50 -2.12 0.00 0.00 175.29 174.33 3kxf s ARG 97 N -3.65 0.43 -0.22 2.91 3.52 -0.69 -1.56 118.95 119.71 3kxf s ARG 97 Ca 0.33 0.81 0.02 0.00 -0.13 0.00 0.00 55.73 56.76 3kxf s ARG 97 Cb -0.02 0.01 0.04 0.00 -1.56 0.00 0.00 34.95 33.42 3kxf s ARG 97 CO 0.18 -0.15 -0.15 1.41 -0.81 0.00 0.00 175.30 175.78 3kxf s MET 98 N 1.33 2.54 0.07 5.12 -2.45 -0.21 -0.92 119.30 124.78 3kxf s MET 98 Ca -0.09 -1.05 0.01 0.00 -1.25 0.00 0.00 55.69 53.31 3kxf s MET 98 Cb -0.08 -2.68 -0.04 0.00 1.25 0.00 0.00 34.83 33.28 3kxf s MET 98 CO -0.12 -0.39 -0.06 1.52 1.05 0.00 0.00 175.02 177.02 3kxf s TYR 99 N 1.22 0.71 -5.00 4.11 1.13 -0.99 -1.80 117.35 116.74 3kxf s TYR 99 Ca -0.02 -0.80 0.00 0.00 -1.41 0.00 0.00 57.07 54.84 3kxf s TYR 99 Cb -0.16 -0.44 0.00 0.00 -1.10 0.00 0.00 41.96 40.26 3kxf s TYR 99 CO -0.09 -0.18 0.00 0.41 -2.51 0.00 0.00 175.55 173.18 3kxf n GLY 100 N 0.52 -2.26 3.36 5.49 0.00 -0.86 -0.62 105.19 110.82 3kxf n GLY 100 Ca -0.16 -1.42 -0.27 0.00 0.00 0.00 0.00 46.02 44.17 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 -2.14 5.42 0.02 0.00 1.01 0.05 -2.11 116.67 118.93 3kxf s ASP 102 Ca 0.13 0.08 -0.24 0.00 0.71 0.00 0.00 52.55 53.22 3kxf s ASP 102 Cb -0.09 -1.83 -0.05 0.00 1.01 0.00 0.00 42.92 41.96 3kxf s ASP 102 CO 0.06 0.23 0.75 -0.22 0.21 0.00 0.00 175.17 176.20 3kxf s LEU 103 N -0.00 4.43 0.54 1.23 2.96 -0.45 0.46 118.68 127.85 3kxf s LEU 103 Ca 0.04 1.39 0.02 0.00 -0.22 0.00 0.00 54.13 55.36 3kxf s LEU 103 Cb -0.12 -3.19 0.03 0.00 0.50 0.00 0.00 46.19 43.41 3kxf s LEU 103 CO 0.01 -0.00 0.76 -0.83 -1.32 0.00 0.00 176.35 174.98 3kxf s GLY 104 N 0.08 1.84 0.40 7.98 0.00 0.24 -4.52 107.32 113.34 3kxf s GLY 104 Ca 0.38 -1.35 0.19 0.00 0.00 0.00 0.00 44.72 43.94 3kxf s GLY 104 CO 0.22 -1.07 1.82 -2.55 0.00 0.00 0.00 173.10 171.51 3kxf h PRO 105 N 0.10 0.00 0.00 2.90 0.11 -1.96 -2.70 132.00 130.46 3kxf h PRO 105 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3kxf h PRO 105 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 3kxf h PRO 105 CO 0.52 0.33 0.00 0.38 -0.21 0.00 0.00 178.00 179.02 3kxf h ASP 106 N 0.00 0.00 0.00 -2.05 2.03 -1.98 -3.46 116.42 110.96 3kxf h ASP 106 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3kxf h ASP 106 Cb 0.74 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.24 3kxf h ASP 106 CO 0.04 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 178.86 3kxf n GLY 107 N 0.69 0.95 0.00 7.15 0.00 -1.02 -5.09 105.19 107.87 3kxf n GLY 107 Ca 0.03 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3kxf n GLY 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kxf n ARG 108 N -2.09 2.16 -2.46 1.61 1.74 -1.26 -4.88 116.66 111.47 3kxf n ARG 108 Ca 0.00 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.67 3kxf n ARG 108 Cb 0.00 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.41 3kxf n ARG 108 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3kxf s LEU 109 N 0.00 4.43 -0.20 0.55 2.96 -1.26 0.81 118.68 125.97 3kxf s LEU 109 Ca 0.00 2.07 -0.20 0.00 -0.22 0.00 0.00 54.13 55.78 3kxf s LEU 109 Cb 0.00 -3.59 -0.20 0.00 0.50 0.00 0.00 46.19 42.90 3kxf s LEU 109 CO 0.00 -0.34 0.25 0.25 -1.32 0.00 0.00 176.35 175.19 3kxf h LEU 110 N 5.81 0.05 -7.00 -0.68 6.46 -0.25 -3.42 115.31 116.27 3kxf h LEU 110 Ca -0.43 -0.57 0.13 0.00 -0.12 0.00 0.00 57.88 56.89 3kxf h LEU 110 Cb 1.21 -0.01 -0.21 0.00 -0.73 0.00 0.00 40.66 40.92 3kxf h LEU 110 CO 0.76 1.52 0.61 0.00 -0.62 0.00 0.00 178.44 180.71 3kxf s ARG 111 N -2.38 0.55 0.32 1.25 1.70 -1.24 -4.99 118.95 114.16 3kxf s ARG 111 Ca -0.28 0.00 0.07 0.00 -0.47 0.00 0.00 55.73 55.05 3kxf s ARG 111 Cb 0.06 0.26 -0.02 0.00 -0.57 0.00 0.00 34.95 34.68 3kxf s ARG 111 CO 0.61 -0.20 0.38 0.20 -1.08 0.00 0.00 175.30 175.22 3kxf s GLY 112 N -1.53 1.61 -0.00 3.88 0.00 -1.26 -0.77 107.32 109.25 3kxf s GLY 112 Ca 0.02 -1.50 -0.02 0.00 0.00 0.00 0.00 44.72 43.22 3kxf s GLY 112 CO -0.02 -1.44 0.03 0.30 0.00 0.00 0.00 173.10 171.97 3kxf s HIS 113 N -2.20 0.06 -0.44 1.90 0.09 -0.43 -4.86 115.29 109.41 3kxf s HIS 113 Ca 0.42 -0.11 0.07 0.00 -0.00 0.00 0.00 55.06 55.44 3kxf s HIS 113 Cb -0.08 -0.05 0.33 0.00 -0.00 0.00 0.00 32.58 32.78 3kxf s HIS 113 CO 0.29 -0.10 1.08 -3.47 -0.00 0.00 0.00 174.74 172.54 3kxf n ASP 114 N 2.43 -1.85 -4.77 1.40 -0.08 -1.25 -2.02 116.55 110.41 3kxf n ASP 114 Ca -0.17 -3.52 -0.38 0.00 -1.51 0.00 0.00 54.79 49.21 3kxf n ASP 114 Cb 0.58 1.50 -0.05 0.00 2.34 0.00 0.00 41.12 45.49 3kxf n ASP 114 CO 0.00 0.00 0.00 -1.10 0.12 0.00 0.00 177.20 176.22 3kxf s GLN 115 N -0.14 4.46 0.33 -0.67 1.11 -0.74 -3.07 119.66 120.94 3kxf s GLN 115 Ca 0.24 1.52 0.06 0.00 0.01 0.00 0.00 55.36 57.19 3kxf s GLN 115 Cb 0.31 -2.83 -0.07 0.00 -1.01 0.00 0.00 33.01 29.41 3kxf s GLN 115 CO -0.06 0.13 -0.00 -1.12 0.01 0.00 0.00 175.29 174.25 3kxf s SER 116 N -1.39 2.97 -0.03 5.90 0.01 0.12 -1.04 113.70 120.24 3kxf s SER 116 Ca 0.51 -1.30 -0.22 0.00 1.31 0.00 0.00 55.95 56.25 3kxf s SER 116 Cb -0.24 -0.21 0.04 0.00 0.21 0.00 0.00 66.02 65.83 3kxf s SER 116 CO 0.30 -0.46 0.47 0.00 0.41 0.00 0.00 173.24 173.96 3kxf s ALA 117 N -3.01 -1.21 0.02 1.44 0.00 -0.60 -2.72 121.76 115.68 3kxf s ALA 117 Ca 0.34 0.78 0.07 0.00 0.00 0.00 0.00 51.96 53.14 3kxf s ALA 117 Cb 0.07 0.02 -0.03 0.00 0.00 0.00 0.00 23.12 23.18 3kxf s ALA 117 CO 0.15 -0.31 -0.20 -0.47 0.00 0.00 0.00 175.76 174.93 3kxf s TYR 118 N -1.22 2.50 0.00 0.00 5.04 -0.61 -0.84 117.35 122.21 3kxf s TYR 118 Ca -0.12 -0.30 0.00 0.00 -2.44 0.00 0.00 57.07 54.21 3kxf s TYR 118 Cb -0.03 -1.47 0.00 0.00 0.35 0.00 0.00 41.96 40.81 3kxf s TYR 118 CO 0.07 0.18 0.00 -0.25 -1.34 0.00 0.00 175.55 174.21 3kxf n ASP 119 N 1.81 0.00 0.00 4.32 9.92 0.22 -0.78 116.55 132.04 3kxf n ASP 119 Ca -0.16 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.10 3kxf n ASP 119 Cb 0.52 -0.99 0.00 0.00 -0.64 0.00 0.00 41.12 40.01 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 -0.22 1.20 3.83 0.44 0.00 -1.26 -4.88 105.19 104.29 3kxf n GLY 120 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 0.00 2.57 0.84 1.61 -2.85 0.04 -5.10 119.74 116.86 3kxf s LYS 121 Ca 0.00 -1.44 -0.14 0.00 -1.00 0.00 0.00 55.97 53.39 3kxf s LYS 121 Cb 0.00 -2.36 0.00 0.00 -2.06 0.00 0.00 37.83 33.41 3kxf s LYS 121 CO 0.00 0.01 0.48 -0.25 0.10 0.00 0.00 175.35 175.69 3kxf n ASP 122 N -1.37 -1.60 0.00 0.03 8.00 -1.26 -1.57 116.55 118.78 3kxf n ASP 122 Ca -0.01 0.45 0.00 0.00 0.71 0.00 0.00 54.79 55.95 3kxf n ASP 122 Cb 0.61 -1.22 0.00 0.00 -0.02 0.00 0.00 41.12 40.49 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 -3.03 0.00 -4.64 1.24 9.36 -1.10 -4.45 117.16 114.54 3kxf n TYR 123 Ca 0.08 0.00 -0.30 0.00 3.32 0.00 0.00 57.90 61.00 3kxf n TYR 123 Cb 0.52 0.00 -0.13 0.00 -0.63 0.00 0.00 39.34 39.09 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 1.04 2.39 -0.14 2.97 2.07 -1.25 -2.19 121.20 126.09 3kxf s ILE 124 Ca 0.00 -1.46 -0.10 0.00 -1.41 0.00 0.00 60.65 57.67 3kxf s ILE 124 Cb 0.00 -2.01 0.04 0.00 0.13 0.00 0.00 42.46 40.63 3kxf s ILE 124 CO 0.00 0.25 0.35 0.00 -1.91 0.00 0.00 174.94 173.64 3kxf s ALA 125 N -0.94 -0.87 0.69 1.50 0.00 -0.86 -0.70 121.76 120.57 3kxf s ALA 125 Ca 0.14 1.16 -0.15 0.00 0.00 0.00 0.00 51.96 53.11 3kxf s ALA 125 Cb -0.10 -0.70 0.02 0.00 0.00 0.00 0.00 23.12 22.34 3kxf s ALA 125 CO 0.05 -0.20 1.14 -1.17 0.00 0.00 0.00 175.76 175.57 3kxf s LEU 126 N 0.74 3.34 0.00 0.00 2.96 -1.18 -0.74 118.68 123.81 3kxf s LEU 126 Ca -0.05 2.11 0.06 0.00 -0.22 0.00 0.00 54.13 56.03 3kxf s LEU 126 Cb -0.06 -4.56 0.06 0.00 0.50 0.00 0.00 46.19 42.13 3kxf s LEU 126 CO -0.05 -1.87 0.50 0.59 -1.32 0.00 0.00 176.35 174.20 3kxf n ASN 127 N -2.58 1.98 0.19 3.68 3.02 -1.00 -4.65 115.26 115.91 3kxf n ASN 127 Ca 0.11 -2.34 0.05 0.00 -0.03 0.00 0.00 54.58 52.37 3kxf n ASN 127 Cb 0.51 -0.21 0.38 0.00 -0.61 0.00 0.00 39.78 39.86 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 -1.49 114.58 119.52 3kxf h GLU 128 Ca -0.24 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.99 3kxf h GLU 128 Cb 1.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.38 3kxf h GLU 128 CO 0.36 0.37 0.00 -0.40 -0.73 0.00 0.00 179.01 178.61 3kxf n ASP 129 N -3.75 0.49 -3.78 1.04 5.75 -1.26 -4.85 116.55 110.19 3kxf n ASP 129 Ca -0.01 0.61 -0.27 0.00 -0.01 0.00 0.00 54.79 55.11 3kxf n ASP 129 Cb 0.45 -0.72 0.05 0.00 -1.03 0.00 0.00 41.12 39.87 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 -2.03 -2.92 0.00 -2.12 4.77 -0.56 -4.82 117.00 109.32 3kxf n LEU 130 Ca 0.03 -0.71 0.00 0.00 -0.03 0.00 0.00 56.01 55.30 3kxf n LEU 130 Cb 0.24 -2.73 0.00 0.00 -2.33 0.00 0.00 43.42 38.60 3kxf n LEU 130 CO 0.19 0.51 0.00 -1.54 -1.33 0.00 0.00 177.39 175.23 3kxf n SER 131 N -2.93 0.00 -4.04 -1.43 3.41 -1.26 -4.39 113.62 102.98 3kxf n SER 131 Ca -0.02 -0.53 -0.08 0.00 -0.26 0.00 0.00 58.87 57.98 3kxf n SER 131 Cb 0.56 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.41 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 0.39 -0.07 4.04 1.04 -1.26 -4.91 113.70 112.92 3kxf s SER 132 Ca 0.00 -0.83 0.03 0.00 0.48 0.00 0.00 55.95 55.63 3kxf s SER 132 Cb 0.00 0.19 -0.02 0.00 0.10 0.00 0.00 66.02 66.29 3kxf s SER 132 CO 0.00 -0.53 -0.15 0.26 0.98 0.00 0.00 173.24 173.80 3kxf s TRP 133 N -3.25 2.71 -0.57 5.02 0.52 -1.26 -2.39 118.94 119.72 3kxf s TRP 133 Ca 0.01 -0.29 -0.18 0.00 0.02 0.00 0.00 56.10 55.65 3kxf s TRP 133 Cb 0.03 -1.68 0.11 0.00 -1.15 0.00 0.00 33.47 30.79 3kxf s TRP 133 CO -0.08 0.08 0.63 0.99 0.02 0.00 0.00 176.95 178.59 3kxf s THR 134 N -0.46 4.96 0.70 2.01 2.01 0.08 -4.95 115.64 120.00 3kxf s THR 134 Ca 0.06 -1.18 -0.08 0.00 0.31 0.00 0.00 61.69 60.79 3kxf s THR 134 Cb -0.12 -4.43 0.05 0.00 0.01 0.00 0.00 72.50 68.00 3kxf s THR 134 CO 0.02 -1.03 1.04 0.00 -0.69 0.00 0.00 174.62 173.95 3kxf s ALA 135 N 2.28 3.05 0.00 7.40 0.00 -1.26 -2.04 121.76 131.20 3kxf s ALA 135 Ca 0.08 -0.75 0.03 0.00 0.00 0.00 0.00 51.96 51.33 3kxf s ALA 135 Cb -0.26 -2.73 0.05 0.00 0.00 0.00 0.00 23.12 20.18 3kxf s ALA 135 CO 0.05 -1.25 0.85 0.00 0.00 0.00 0.00 175.76 175.40 3kxf n ALA 136 N -2.94 2.22 -3.60 0.00 0.00 -0.93 -4.96 120.51 110.30 3kxf n ALA 136 Ca 0.07 -0.78 -0.15 0.00 0.00 0.00 0.00 53.44 52.58 3kxf n ALA 136 Cb 0.60 -0.34 -0.07 0.00 0.00 0.00 0.00 19.45 19.64 3kxf n ALA 136 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3kxf s ASP 137 N -0.77 -0.72 0.23 0.00 -1.08 -1.26 -4.95 116.67 108.11 3kxf s ASP 137 Ca 0.04 1.25 -0.07 0.00 -0.52 0.00 0.00 52.55 53.25 3kxf s ASP 137 Cb 0.05 1.22 0.34 0.00 -1.46 0.00 0.00 42.92 43.07 3kxf s ASP 137 CO -0.02 -0.34 1.77 0.74 0.52 0.00 0.00 175.17 177.84 3kxf h THR 138 N 3.75 0.82 0.00 1.71 2.02 -1.99 0.41 112.91 119.62 3kxf h THR 138 Ca -0.28 -0.19 -0.07 0.00 0.77 0.00 0.00 66.41 66.63 3kxf h THR 138 Cb 1.16 0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 67.76 3kxf h THR 138 CO 0.14 0.10 -0.33 0.00 0.37 0.00 0.00 175.52 175.81 3kxf h ALA 139 N 1.44 0.93 0.00 6.16 0.00 -1.96 -2.20 119.26 123.63 3kxf h ALA 139 Ca 0.35 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3kxf h ALA 139 Cb 0.40 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3kxf h ALA 139 CO -0.29 0.41 -0.42 0.00 0.00 0.00 0.00 179.25 178.95 3kxf h ALA 140 N 1.67 0.73 0.17 0.00 0.00 -1.52 -2.59 119.26 117.72 3kxf h ALA 140 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.57 3kxf h ALA 140 Cb 0.95 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3kxf h ALA 140 CO 0.04 0.00 -1.69 1.96 0.00 0.00 0.00 179.25 179.56 3kxf h GLN 141 N 0.00 0.35 -1.08 0.00 4.20 -0.16 0.38 115.11 118.80 3kxf h GLN 141 Ca 0.00 -0.60 0.29 0.00 0.06 0.00 0.00 58.65 58.40 3kxf h GLN 141 Cb 0.78 0.22 -0.07 0.00 0.30 0.00 0.00 27.48 28.71 3kxf h GLN 141 CO 0.00 1.25 0.73 0.82 -0.67 0.00 0.00 178.83 180.96 3kxf h ILE 142 N 0.10 0.48 0.11 2.54 1.08 -1.42 -1.43 117.51 118.97 3kxf h ILE 142 Ca -0.32 -0.08 -0.01 0.00 -0.39 0.00 0.00 64.86 64.07 3kxf h ILE 142 Cb 2.08 0.24 0.00 0.00 -3.07 0.00 0.00 36.82 36.07 3kxf h ILE 142 CO 0.17 0.04 -0.05 0.74 -0.69 0.00 0.00 178.15 178.36 3kxf h THR 143 N 0.23 0.24 -0.99 -0.27 2.02 -1.41 -3.35 112.91 109.36 3kxf h THR 143 Ca 0.57 -1.04 0.12 0.00 0.77 0.00 0.00 66.41 66.83 3kxf h THR 143 Cb 1.78 0.43 -0.14 0.00 -1.74 0.00 0.00 68.15 68.49 3kxf h THR 143 CO -0.18 0.07 -0.49 1.67 0.37 0.00 0.00 175.52 176.96 3kxf n GLN 144 N -4.86 -0.34 0.14 6.66 7.27 0.13 -0.61 117.38 125.77 3kxf n GLN 144 Ca -0.03 1.51 0.00 0.00 0.07 0.00 0.00 57.00 58.56 3kxf n GLN 144 Cb 0.12 -2.24 0.16 0.00 2.41 0.00 0.00 30.24 30.69 3kxf n GLN 144 CO 0.00 0.00 0.00 0.07 0.07 0.00 0.00 177.06 177.20 3kxf h ARG 145 N 0.00 0.00 -0.82 3.69 -0.00 -1.75 -2.69 114.38 112.82 3kxf h ARG 145 Ca 0.25 0.00 0.18 0.00 -0.00 0.00 0.00 59.98 60.41 3kxf h ARG 145 Cb 0.50 0.00 -0.05 0.00 -0.00 0.00 0.00 29.97 30.41 3kxf h ARG 145 CO -0.96 0.59 0.55 -0.22 -0.00 0.00 0.00 179.97 179.94 3kxf h LYS 146 N 0.00 0.34 0.00 0.08 3.64 -1.00 0.30 116.57 119.93 3kxf h LYS 146 Ca -0.01 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.27 3kxf h LYS 146 Cb 1.18 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.91 3kxf h LYS 146 CO 0.08 0.22 -0.52 -1.49 -2.27 0.00 0.00 179.45 175.47 3kxf h TRP 147 N 0.35 0.00 -0.18 1.91 4.06 -1.14 -2.83 115.95 118.13 3kxf h TRP 147 Ca 0.41 0.00 -0.21 0.00 2.06 0.00 0.00 58.89 61.15 3kxf h TRP 147 Cb 1.09 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 29.26 3kxf h TRP 147 CO -0.00 0.38 -0.71 0.93 -3.56 0.00 0.00 178.44 175.48 3kxf h GLU 148 N 0.00 0.79 0.00 0.49 4.39 -0.70 0.18 114.58 119.73 3kxf h GLU 148 Ca -0.02 -0.62 0.00 0.00 0.34 0.00 0.00 59.36 59.06 3kxf h GLU 148 Cb 1.31 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 30.08 3kxf h GLU 148 CO 0.05 1.23 0.00 0.00 -1.16 0.00 0.00 179.01 179.13 3kxf h ALA 149 N 0.57 1.00 -0.01 3.43 0.00 -0.53 -1.91 119.26 121.81 3kxf h ALA 149 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3kxf h ALA 149 Cb 1.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.13 3kxf h ALA 149 CO 0.15 0.00 -0.52 0.00 0.00 0.00 0.00 179.25 178.87 3kxf n ALA 150 N -2.03 3.63 -2.03 0.00 0.00 -1.07 -4.99 120.51 114.02 3kxf n ALA 150 Ca -0.00 -0.56 -0.17 0.00 0.00 0.00 0.00 53.44 52.70 3kxf n ALA 150 Cb 0.22 -0.66 -0.03 0.00 0.00 0.00 0.00 19.45 18.98 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 -0.46 -1.32 -0.35 0.00 5.12 -0.66 -4.92 116.66 114.07 3kxf n ARG 151 Ca 0.07 0.94 0.15 0.00 -1.93 0.00 0.00 57.85 57.08 3kxf n ARG 151 Cb 0.36 -5.32 0.36 0.00 -1.16 0.00 0.00 32.46 26.70 3kxf n ARG 151 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 3kxf h VAL 152 N 0.00 0.63 -1.01 1.55 2.07 -0.95 -2.08 116.25 116.46 3kxf h VAL 152 Ca -0.39 -0.23 0.25 0.00 0.82 0.00 0.00 66.70 67.14 3kxf h VAL 152 Cb 1.24 -0.10 -0.12 0.00 -1.52 0.00 0.00 31.29 30.79 3kxf h VAL 152 CO 0.50 0.12 0.61 0.00 0.02 0.00 0.00 177.57 178.82 3kxf h ALA 153 N 1.68 1.87 0.04 1.67 0.00 -1.92 -2.22 119.26 120.38 3kxf h ALA 153 Ca 0.61 0.11 -0.27 0.00 0.00 0.00 0.00 54.91 55.36 3kxf h ALA 153 Cb 1.06 0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.88 3kxf h ALA 153 CO -0.41 -0.32 -1.09 0.93 0.00 0.00 0.00 179.25 178.35 3kxf h GLU 154 N 0.56 0.62 0.21 0.00 5.08 -1.63 -2.96 114.58 116.47 3kxf h GLU 154 Ca 0.63 -0.72 0.01 0.00 -1.00 0.00 0.00 59.36 58.28 3kxf h GLU 154 Cb 1.26 0.22 -0.02 0.00 0.50 0.00 0.00 28.75 30.70 3kxf h GLU 154 CO -0.43 1.30 -0.25 0.00 -1.00 0.00 0.00 179.01 178.63 3kxf h ALA 155 N 0.44 -0.50 -0.86 3.43 0.00 -1.47 -0.51 119.26 119.79 3kxf h ALA 155 Ca -0.14 -0.07 0.15 0.00 0.00 0.00 0.00 54.91 54.85 3kxf h ALA 155 Cb 1.75 0.38 -0.09 0.00 0.00 0.00 0.00 17.79 19.82 3kxf h ALA 155 CO 0.21 -0.82 0.46 0.00 0.00 0.00 0.00 179.25 179.10 3kxf h ARG 156 N -0.52 0.63 -0.64 0.00 2.47 -1.54 0.09 114.38 114.87 3kxf h ARG 156 Ca 0.00 -0.04 -0.09 0.00 -1.26 0.00 0.00 59.98 58.60 3kxf h ARG 156 Cb 0.50 -0.14 -0.02 0.00 -1.65 0.00 0.00 29.97 28.65 3kxf h ARG 156 CO -0.08 0.42 0.07 -0.09 0.56 0.00 0.00 179.97 180.84 3kxf h ARG 157 N 0.65 1.09 -0.29 0.04 2.43 -1.30 -0.66 114.38 116.34 3kxf h ARG 157 Ca 0.47 -0.31 -0.02 0.00 -0.81 0.00 0.00 59.98 59.31 3kxf h ARG 157 Cb 0.65 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.07 3kxf h ARG 157 CO -0.36 1.02 0.08 0.00 -1.51 0.00 0.00 179.97 179.20 3kxf h ALA 158 N 1.05 1.59 0.09 2.80 0.00 0.64 -0.93 119.26 124.50 3kxf h ALA 158 Ca 0.19 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3kxf h ALA 158 Cb 0.49 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3kxf h ALA 158 CO 0.02 0.31 -0.04 -0.92 0.00 0.00 0.00 179.25 178.62 3kxf h TYR 159 N 0.42 -0.12 -0.77 0.00 3.20 -0.89 -2.65 116.97 116.17 3kxf h TYR 159 Ca 0.10 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.93 3kxf h TYR 159 Cb 0.16 0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.43 3kxf h TYR 159 CO 0.00 0.42 0.33 -0.07 -1.64 0.00 0.00 178.16 177.20 3kxf h LEU 160 N -0.82 1.04 -0.04 2.82 3.38 -1.02 -0.42 115.31 120.25 3kxf h LEU 160 Ca -0.01 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 3kxf h LEU 160 Cb 0.58 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 3kxf h LEU 160 CO 0.02 0.92 -0.13 -0.33 0.09 0.00 0.00 178.44 179.01 3kxf h GLU 161 N 1.10 0.00 0.00 1.13 5.08 -1.33 -3.35 114.58 117.21 3kxf h GLU 161 Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 3kxf h GLU 161 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 3kxf h GLU 161 CO -0.03 0.13 0.00 0.41 -1.00 0.00 0.00 179.01 178.52 3kxf n GLY 162 N 1.10 0.04 0.15 -3.84 0.00 -0.78 -4.72 105.19 97.15 3kxf n GLY 162 Ca 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.05 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 0.02 0.08 0.99 3.38 -1.54 -2.68 115.31 115.55 3kxf h LEU 163 Ca 0.00 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 57.98 3kxf h LEU 163 Cb 0.00 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 3kxf h LEU 163 CO 0.00 0.58 -0.20 0.00 0.09 0.00 0.00 178.44 178.90 3kxf h VAL 165 N -0.37 1.30 -0.33 0.00 2.07 -1.67 -1.64 116.25 115.59 3kxf h VAL 165 Ca 0.04 -1.07 0.03 0.00 0.82 0.00 0.00 66.70 66.52 3kxf h VAL 165 Cb 0.41 1.62 -0.03 0.00 -1.52 0.00 0.00 31.29 31.76 3kxf h VAL 165 CO -0.14 0.32 0.14 -0.33 0.02 0.00 0.00 177.57 177.58 3kxf h GLU 166 N 0.07 0.29 -0.52 1.57 5.08 -1.48 -1.08 114.58 118.51 3kxf h GLU 166 Ca 0.04 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.31 3kxf h GLU 166 Cb 0.52 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 3kxf h GLU 166 CO 0.02 0.19 0.01 -1.49 -1.00 0.00 0.00 179.01 176.74 3kxf h TRP 167 N 0.30 0.99 -0.82 4.33 4.06 -1.33 -1.24 115.95 122.24 3kxf h TRP 167 Ca 0.15 -0.17 0.12 0.00 2.06 0.00 0.00 58.89 61.05 3kxf h TRP 167 Cb 0.09 -0.26 -0.08 0.00 -1.00 0.00 0.00 29.16 27.91 3kxf h TRP 167 CO -0.12 0.91 0.43 1.25 -3.56 0.00 0.00 178.44 177.35 3kxf h LEU 168 N 0.78 0.55 -0.62 -4.49 5.85 -1.03 0.16 115.31 116.51 3kxf h LEU 168 Ca 0.15 0.07 -0.08 0.00 0.84 0.00 0.00 57.88 58.87 3kxf h LEU 168 Cb 0.51 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 3kxf h LEU 168 CO 0.02 0.27 0.09 0.03 -0.34 0.00 0.00 178.44 178.51 3kxf h ARG 169 N 0.66 1.04 -0.59 1.25 3.08 -0.79 -0.61 114.38 118.41 3kxf h ARG 169 Ca 0.42 -0.29 -0.10 0.00 0.07 0.00 0.00 59.98 60.08 3kxf h ARG 169 Cb 0.52 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.43 3kxf h ARG 169 CO -0.32 0.97 -0.03 -0.09 -1.07 0.00 0.00 179.97 179.43 3kxf h ARG 170 N 0.95 1.06 0.08 0.04 2.43 -0.02 -1.76 114.38 117.16 3kxf h ARG 170 Ca 0.19 -0.35 -0.00 0.00 -0.81 0.00 0.00 59.98 59.00 3kxf h ARG 170 Cb 0.45 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 3kxf h ARG 170 CO 0.01 1.05 -0.04 1.88 -1.51 0.00 0.00 179.97 181.37 3kxf h TYR 171 N 0.96 -0.10 -0.97 2.20 0.05 -0.68 -1.44 116.97 116.99 3kxf h TYR 171 Ca 0.16 -0.00 0.17 0.00 0.05 0.00 0.00 58.73 59.11 3kxf h TYR 171 Cb 0.60 0.03 -0.10 0.00 1.01 0.00 0.00 36.73 38.27 3kxf h TYR 171 CO 0.04 0.26 0.57 -0.07 -1.05 0.00 0.00 178.16 177.91 3kxf h LEU 172 N -0.48 0.73 -0.04 3.88 3.38 -1.01 0.33 115.31 122.10 3kxf h LEU 172 Ca -0.01 0.09 -0.09 0.00 0.09 0.00 0.00 57.88 57.96 3kxf h LEU 172 Cb 0.41 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 41.13 3kxf h LEU 172 CO 0.02 0.28 -0.34 -0.08 0.09 0.00 0.00 178.44 178.41 3kxf h GLU 173 N 0.75 0.30 -0.73 1.13 4.57 -1.34 -1.80 114.58 117.45 3kxf h GLU 173 Ca 0.54 -0.27 0.06 0.00 -1.18 0.00 0.00 59.36 58.52 3kxf h GLU 173 Cb 0.80 0.06 -0.05 0.00 -0.16 0.00 0.00 28.75 29.41 3kxf h GLU 173 CO -0.37 0.94 0.48 -0.91 -1.18 0.00 0.00 179.01 177.97 3kxf h ASN 174 N -0.25 0.68 -0.60 1.04 4.21 -0.23 -2.72 115.58 117.71 3kxf h ASN 174 Ca -0.03 0.00 -0.39 0.00 1.21 0.00 0.00 56.30 57.09 3kxf h ASN 174 Cb 1.02 -0.14 -0.24 0.00 -1.12 0.00 0.00 38.32 37.84 3kxf h ASN 174 CO 0.07 0.44 -0.12 0.61 -1.29 0.00 0.00 177.43 177.14 3kxf n GLY 175 N -1.45 5.53 0.35 2.83 0.00 0.11 -4.81 105.19 107.75 3kxf n GLY 175 Ca 0.11 -1.86 0.01 0.00 0.00 0.00 0.00 46.02 44.28 3kxf n GLY 175 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3kxf h LYS 176 N 1.54 0.95 0.00 1.61 2.10 -0.99 -0.56 116.57 121.21 3kxf h LYS 176 Ca 0.35 -0.06 0.00 0.00 -2.00 0.00 0.00 60.65 58.94 3kxf h LYS 176 Cb 1.50 -0.21 0.00 0.00 -0.90 0.00 0.00 32.23 32.61 3kxf h LYS 176 CO 0.74 0.63 0.00 0.39 -2.00 0.00 0.00 179.45 179.21 3kxf n GLU 177 N -4.43 0.37 0.00 0.07 1.02 -1.26 -1.88 120.64 114.52 3kxf n GLU 177 Ca 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 3kxf n GLU 177 Cb 0.06 -1.34 0.00 0.00 -0.02 0.00 0.00 31.44 30.14 3kxf n GLU 177 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3kxf n THR 178 N -0.84 0.00 0.13 2.62 -2.24 -1.06 -4.73 114.28 108.17 3kxf n THR 178 Ca 0.06 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.85 3kxf n THR 178 Cb 0.03 0.00 0.10 0.00 -2.10 0.00 0.00 70.33 68.35 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 0.00 0.00 3.22 3.38 -1.11 -3.11 115.31 117.69 3kxf h LEU 179 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kxf h LEU 179 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3kxf h LEU 179 CO 0.00 0.60 -1.02 0.00 0.09 0.00 0.00 178.44 178.11 3kxf n GLN 180 N -3.41 0.40 -3.17 1.13 1.13 -0.79 -4.91 117.38 107.75 3kxf n GLN 180 Ca 0.00 0.03 -0.39 0.00 -1.94 0.00 0.00 57.00 54.71 3kxf n GLN 180 Cb 0.71 -1.66 -0.06 0.00 0.11 0.00 0.00 30.24 29.34 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 -3.26 4.34 -0.22 -1.09 3.52 -1.18 -4.90 118.95 116.17 3kxf s ARG 181 Ca 0.02 0.78 -0.05 0.00 -0.13 0.00 0.00 55.73 56.35 3kxf s ARG 181 Cb 0.13 -3.35 -0.02 0.00 -1.56 0.00 0.00 34.95 30.16 3kxf s ARG 181 CO 0.79 0.35 -0.01 0.00 -0.81 0.00 0.00 175.30 175.62 3kxf s ALA 182 N -0.16 2.92 -0.32 6.12 0.00 -1.26 -4.86 121.76 124.20 3kxf s ALA 182 Ca 0.32 -1.11 -0.17 0.00 0.00 0.00 0.00 51.96 51.00 3kxf s ALA 182 Cb -0.18 -1.77 -0.02 0.00 0.00 0.00 0.00 23.12 21.14 3kxf s ALA 182 CO 0.18 -0.36 0.45 -0.51 0.00 0.00 0.00 175.76 175.51 3kxf s ASP 183 N 1.37 6.28 0.71 0.00 1.11 -0.25 -4.50 116.67 121.40 3kxf s ASP 183 Ca 0.04 0.06 -0.12 0.00 0.18 0.00 0.00 52.55 52.71 3kxf s ASP 183 Cb -0.14 -2.24 0.03 0.00 1.07 0.00 0.00 42.92 41.63 3kxf s ASP 183 CO -0.01 -0.36 1.09 -2.16 1.18 0.00 0.00 175.17 174.92 3kxf s PRO 184 N 2.22 2.60 0.18 8.23 0.04 -1.26 -0.65 135.00 146.36 3kxf s PRO 184 Ca 0.16 1.21 -0.30 0.00 0.04 0.00 0.00 61.00 62.11 3kxf s PRO 184 Cb -0.16 -1.94 -0.08 0.00 0.04 0.00 0.00 34.50 32.37 3kxf s PRO 184 CO 0.12 -1.38 1.04 -1.25 0.04 0.00 0.00 177.00 175.56 3kxf s PRO 185 N -4.62 4.67 -0.39 0.56 0.04 -1.26 -4.23 135.00 129.76 3kxf s PRO 185 Ca 0.63 1.62 -0.29 0.00 0.04 0.00 0.00 61.00 63.00 3kxf s PRO 185 Cb -0.18 -3.29 0.02 0.00 0.04 0.00 0.00 34.50 31.09 3kxf s PRO 185 CO 0.50 0.19 1.14 0.15 0.04 0.00 0.00 177.00 179.02 3kxf s LYS 186 N -0.50 3.88 -0.03 4.56 1.02 0.13 -4.79 119.74 124.00 3kxf s LYS 186 Ca 0.47 0.85 0.05 0.00 0.02 0.00 0.00 55.97 57.36 3kxf s LYS 186 Cb -0.28 -3.84 -0.03 0.00 -0.52 0.00 0.00 37.83 33.17 3kxf s LYS 186 CO 0.34 -1.17 -0.17 0.95 -0.92 0.00 0.00 175.35 174.38 3kxf s THR 187 N 4.15 2.85 -0.01 2.17 -4.23 -1.26 -1.50 115.64 117.81 3kxf s THR 187 Ca 0.48 -0.87 -0.20 0.00 -1.18 0.00 0.00 61.69 59.93 3kxf s THR 187 Cb -0.10 -2.11 0.04 0.00 1.34 0.00 0.00 72.50 71.66 3kxf s THR 187 CO 0.24 0.54 0.43 -1.38 -0.54 0.00 0.00 174.62 173.91 3kxf s HIS 188 N -0.75 -0.32 -0.16 3.99 -3.43 -1.08 -5.02 115.29 108.53 3kxf s HIS 188 Ca 0.12 0.47 -0.06 0.00 -0.80 0.00 0.00 55.06 54.79 3kxf s HIS 188 Cb -0.10 0.20 -0.04 0.00 -1.43 0.00 0.00 32.58 31.21 3kxf s HIS 188 CO 0.01 -0.49 0.05 0.08 -2.00 0.00 0.00 174.74 172.39 3kxf s VAL 189 N -1.59 4.69 0.04 -5.38 1.01 -1.26 -0.84 120.40 117.07 3kxf s VAL 189 Ca -0.11 -0.08 0.09 0.00 0.00 0.00 0.00 61.98 61.88 3kxf s VAL 189 Cb -0.03 -3.08 -0.03 0.00 0.00 0.00 0.00 36.38 33.25 3kxf s VAL 189 CO 0.04 0.51 -0.25 0.28 0.00 0.00 0.00 175.10 175.68 3kxf s THR 190 N -0.01 2.26 -0.10 3.92 -1.32 0.21 -4.65 115.64 115.96 3kxf s THR 190 Ca 0.05 -1.31 0.04 0.00 -1.21 0.00 0.00 61.69 59.26 3kxf s THR 190 Cb -0.12 -1.88 -0.00 0.00 -1.51 0.00 0.00 72.50 68.98 3kxf s THR 190 CO 0.01 0.39 -0.23 -2.28 -2.21 0.00 0.00 174.62 170.30 3kxf s HIS 191 N -0.80 2.57 -0.06 9.09 2.46 -1.26 -0.07 115.29 127.21 3kxf s HIS 191 Ca 0.12 -0.97 -0.03 0.00 0.47 0.00 0.00 55.06 54.65 3kxf s HIS 191 Cb -0.10 -1.71 0.03 0.00 -0.13 0.00 0.00 32.58 30.67 3kxf s HIS 191 CO 0.02 -0.38 0.13 -1.01 -2.47 0.00 0.00 174.74 171.04 3kxf s HIS 192 N 0.28 -0.14 0.03 3.88 3.76 -0.80 -5.02 115.29 117.27 3kxf s HIS 192 Ca -0.16 0.42 -0.29 0.00 -0.15 0.00 0.00 55.06 54.88 3kxf s HIS 192 Cb -0.17 -0.06 -0.04 0.00 1.11 0.00 0.00 32.58 33.41 3kxf s HIS 192 CO 0.08 -0.14 0.93 -2.14 -0.85 0.00 0.00 174.74 172.62 3kxf s PRO 193 N 0.92 4.58 -0.12 8.40 0.02 -1.26 0.91 135.00 148.45 3kxf s PRO 193 Ca -0.07 1.35 -0.07 0.00 0.02 0.00 0.00 61.00 62.23 3kxf s PRO 193 Cb -0.09 -3.43 -0.26 0.00 0.02 0.00 0.00 34.50 30.74 3kxf s PRO 193 CO -0.04 0.07 0.37 0.28 -0.33 0.00 0.00 177.00 177.34 3kxf n VAL 194 N 3.46 1.79 -0.92 3.83 0.31 -0.06 -4.86 118.33 121.89 3kxf n VAL 194 Ca 0.03 -0.66 0.00 0.00 -0.01 0.00 0.00 64.34 63.71 3kxf n VAL 194 Cb 0.50 -1.73 0.00 0.00 -0.91 0.00 0.00 33.84 31.70 3kxf n VAL 194 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 3kxf n SER 195 N -3.48 0.00 0.00 4.52 7.64 0.43 -4.93 113.62 117.80 3kxf n SER 195 Ca -0.32 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.56 3kxf n SER 195 Cb 1.05 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.25 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 0.00 -1.08 6.43 8.00 -1.26 -4.74 116.55 123.89 3kxf n ASP 196 Ca 0.00 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.58 3kxf n ASP 196 Cb 0.00 0.00 0.26 0.00 -0.02 0.00 0.00 41.12 41.36 3kxf n ASP 196 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kxf n HIS 197 N 10.26 0.95 -4.49 1.24 1.44 -1.26 -4.74 115.22 118.61 3kxf n HIS 197 Ca 0.00 -0.61 -0.21 0.00 -2.01 0.00 0.00 57.72 54.89 3kxf n HIS 197 Cb 0.00 -0.15 -0.14 0.00 0.12 0.00 0.00 29.99 29.82 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 -1.62 1.00 -0.04 -1.40 2.02 -1.26 -1.57 118.70 115.82 3kxf s GLU 198 Ca 0.39 -0.58 -0.06 0.00 0.02 0.00 0.00 54.97 54.74 3kxf s GLU 198 Cb 0.25 -0.98 0.01 0.00 0.10 0.00 0.00 34.13 33.51 3kxf s GLU 198 CO 0.19 0.26 0.15 0.00 0.02 0.00 0.00 175.26 175.88 3kxf s ALA 199 N -0.52 -0.37 0.01 5.21 0.00 0.84 -0.43 121.76 126.51 3kxf s ALA 199 Ca 0.04 0.27 -0.20 0.00 0.00 0.00 0.00 51.96 52.06 3kxf s ALA 199 Cb -0.06 -0.15 -0.06 0.00 0.00 0.00 0.00 23.12 22.85 3kxf s ALA 199 CO 0.00 -0.12 0.58 0.99 0.00 0.00 0.00 175.76 177.21 3kxf s THR 200 N -0.36 4.89 -0.30 0.00 2.01 0.26 0.18 115.64 122.32 3kxf s THR 200 Ca -0.04 1.21 -0.02 0.00 0.31 0.00 0.00 61.69 63.15 3kxf s THR 200 Cb -0.03 -3.91 0.05 0.00 0.01 0.00 0.00 72.50 68.61 3kxf s THR 200 CO 0.01 0.45 0.01 -0.76 -0.69 0.00 0.00 174.62 173.63 3kxf s LEU 201 N -0.39 3.87 -0.22 4.42 1.02 -0.43 -1.90 118.68 125.06 3kxf s LEU 201 Ca 0.30 -1.21 -0.08 0.00 0.02 0.00 0.00 54.13 53.17 3kxf s LEU 201 Cb -0.18 -1.73 -0.04 0.00 0.02 0.00 0.00 46.19 44.26 3kxf s LEU 201 CO 0.17 -0.25 0.07 -0.60 0.02 0.00 0.00 176.35 175.76 3kxf s ARG 202 N 1.28 3.84 -0.29 1.70 3.52 0.90 -2.12 118.95 127.78 3kxf s ARG 202 Ca -0.04 -0.40 -0.10 0.00 -0.13 0.00 0.00 55.73 55.05 3kxf s ARG 202 Cb -0.19 -3.29 -0.04 0.00 -1.56 0.00 0.00 34.95 29.87 3kxf s ARG 202 CO -0.01 0.06 0.17 0.00 -0.81 0.00 0.00 175.30 174.71 3kxf s TRP 204 N 1.71 3.37 -0.09 0.00 0.52 -0.02 -0.61 118.94 123.83 3kxf s TRP 204 Ca 0.07 0.32 -0.01 0.00 0.02 0.00 0.00 56.10 56.49 3kxf s TRP 204 Cb -0.16 -1.82 0.03 0.00 -1.15 0.00 0.00 33.47 30.37 3kxf s TRP 204 CO 0.09 0.60 -0.01 0.00 0.02 0.00 0.00 176.95 177.64 3kxf s ALA 205 N -1.07 0.89 -0.01 0.98 0.00 0.26 -2.63 121.76 120.19 3kxf s ALA 205 Ca 0.18 -0.29 0.02 0.00 0.00 0.00 0.00 51.96 51.87 3kxf s ALA 205 Cb -0.12 -0.83 -0.00 0.00 0.00 0.00 0.00 23.12 22.17 3kxf s ALA 205 CO 0.08 -0.52 -0.06 -0.51 0.00 0.00 0.00 175.76 174.76 3kxf s LEU 206 N 1.89 2.00 0.00 0.00 1.43 -0.56 -1.21 118.68 122.23 3kxf s LEU 206 Ca 0.04 -0.11 0.00 0.00 -1.03 0.00 0.00 54.13 53.04 3kxf s LEU 206 Cb -0.13 -0.30 0.00 0.00 0.03 0.00 0.00 46.19 45.79 3kxf s LEU 206 CO -0.06 0.07 0.00 0.61 0.23 0.00 0.00 176.35 177.20 3kxf n GLY 207 N 2.95 0.63 3.83 -3.19 0.00 -0.74 0.17 105.19 108.85 3kxf n GLY 207 Ca -0.13 -0.02 -0.32 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.00 3.38 -0.10 1.61 -0.71 -1.10 -4.64 117.98 114.41 3kxf s PHE 208 Ca 0.00 1.50 -0.05 0.00 -1.04 0.00 0.00 56.93 57.34 3kxf s PHE 208 Cb 0.00 -2.79 0.05 0.00 -1.21 0.00 0.00 43.02 39.07 3kxf s PHE 208 CO 0.00 -0.19 0.23 -0.47 -1.34 0.00 0.00 175.22 173.45 3kxf s TYR 209 N -2.34 -0.31 0.81 3.49 5.04 0.18 -0.54 117.35 123.67 3kxf s TYR 209 Ca 0.60 0.75 -0.04 0.00 -2.44 0.00 0.00 57.07 55.93 3kxf s TYR 209 Cb -0.09 0.01 0.17 0.00 0.35 0.00 0.00 41.96 42.40 3kxf s TYR 209 CO 0.21 -0.23 1.11 -1.25 -1.34 0.00 0.00 175.55 174.05 3kxf s PRO 210 N 1.37 1.22 0.40 4.97 0.05 -1.26 -1.09 135.00 140.66 3kxf s PRO 210 Ca -0.08 -1.07 0.15 0.00 0.05 0.00 0.00 61.00 60.05 3kxf s PRO 210 Cb -0.11 -2.20 0.86 0.00 0.05 0.00 0.00 34.50 33.10 3kxf s PRO 210 CO -0.08 -1.83 1.88 0.00 0.05 0.00 0.00 177.00 177.02 3kxf h ALA 211 N -0.90 1.41 -2.10 8.56 0.00 -1.96 -3.43 119.26 120.84 3kxf h ALA 211 Ca -0.37 -0.28 -0.58 0.00 0.00 0.00 0.00 54.91 53.69 3kxf h ALA 211 Cb 1.25 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 19.00 3kxf h ALA 211 CO 0.36 0.38 1.27 -1.91 0.00 0.00 0.00 179.25 179.35 3kxf n GLU 212 N -4.05 2.37 -3.58 0.00 4.07 -1.26 -4.94 120.64 113.24 3kxf n GLU 212 Ca -0.02 0.82 -0.16 0.00 -0.06 0.00 0.00 57.16 57.74 3kxf n GLU 212 Cb 0.36 -2.93 -0.07 0.00 -0.06 0.00 0.00 31.44 28.74 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 5.43 0.01 -0.15 6.31 2.07 -1.26 -4.70 121.20 128.90 3kxf s ILE 213 Ca 0.94 -0.05 0.01 0.00 -1.41 0.00 0.00 60.65 60.14 3kxf s ILE 213 Cb -0.51 -0.94 0.02 0.00 0.13 0.00 0.00 42.46 41.16 3kxf s ILE 213 CO 0.44 -0.03 -0.17 -0.89 -1.91 0.00 0.00 174.94 172.37 3kxf s THR 214 N -0.83 1.80 -0.15 4.00 2.01 -0.89 -4.99 115.64 116.59 3kxf s THR 214 Ca -0.09 -0.79 0.01 0.00 0.31 0.00 0.00 61.69 61.14 3kxf s THR 214 Cb -0.02 -1.65 0.02 0.00 0.01 0.00 0.00 72.50 70.86 3kxf s THR 214 CO 0.07 0.50 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.55 3kxf s LEU 215 N 1.28 1.97 -0.02 4.42 1.02 -1.26 -2.05 118.68 124.04 3kxf s LEU 215 Ca 0.02 -0.57 0.00 0.00 0.02 0.00 0.00 54.13 53.61 3kxf s LEU 215 Cb -0.13 -1.34 0.01 0.00 0.02 0.00 0.00 46.19 44.75 3kxf s LEU 215 CO -0.10 0.02 -0.00 0.42 0.02 0.00 0.00 176.35 176.71 3kxf s THR 216 N 1.13 0.13 0.04 5.49 -4.23 -0.98 -4.98 115.64 112.24 3kxf s THR 216 Ca -0.01 0.03 -0.23 0.00 -1.18 0.00 0.00 61.69 60.30 3kxf s THR 216 Cb -0.14 -0.18 -0.06 0.00 1.34 0.00 0.00 72.50 73.46 3kxf s THR 216 CO -0.07 0.09 0.71 0.26 -0.54 0.00 0.00 174.62 175.06 3kxf s TRP 217 N 0.54 3.74 -0.03 3.99 0.52 -1.26 -1.13 118.94 125.31 3kxf s TRP 217 Ca -0.05 1.39 0.02 0.00 0.02 0.00 0.00 56.10 57.48 3kxf s TRP 217 Cb -0.08 -2.74 0.01 0.00 -1.15 0.00 0.00 33.47 29.51 3kxf s TRP 217 CO -0.01 0.33 -0.08 -0.65 0.02 0.00 0.00 176.95 176.56 3kxf s GLN 218 N -0.22 0.92 -0.21 4.98 -0.21 0.47 -2.20 119.66 123.18 3kxf s GLN 218 Ca 0.36 -0.24 -0.04 0.00 0.02 0.00 0.00 55.36 55.45 3kxf s GLN 218 Cb -0.20 -0.86 -0.01 0.00 1.00 0.00 0.00 33.01 32.93 3kxf s GLN 218 CO 0.21 0.05 -0.04 0.50 -2.12 0.00 0.00 175.29 173.89 3kxf s ARG 219 N 0.39 3.43 0.00 2.91 3.52 -1.17 -0.34 118.95 127.70 3kxf s ARG 219 Ca -0.06 -0.61 0.00 0.00 -0.13 0.00 0.00 55.73 54.93 3kxf s ARG 219 Cb -0.10 -2.99 0.00 0.00 -1.56 0.00 0.00 34.95 30.30 3kxf s ARG 219 CO 0.01 -0.12 0.00 -0.25 -0.81 0.00 0.00 175.30 174.13 3kxf n ASP 220 N 4.56 0.00 0.00 -2.12 8.00 -1.20 -2.48 116.55 123.32 3kxf n ASP 220 Ca -0.18 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.32 3kxf n ASP 220 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.61 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 0.00 0.05 3.74 0.44 0.00 -1.26 -5.15 105.19 103.01 3kxf n GLY 221 Ca 0.00 -0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.69 4.74 -0.03 1.61 2.02 -1.03 -5.00 118.70 120.32 3kxf s GLU 222 Ca 0.00 1.45 -0.30 0.00 0.02 0.00 0.00 54.97 56.14 3kxf s GLU 222 Cb 0.00 -3.34 -0.05 0.00 0.10 0.00 0.00 34.13 30.84 3kxf s GLU 222 CO 0.00 0.32 1.36 -0.51 0.02 0.00 0.00 175.26 176.45 3kxf s ASP 223 N -0.39 6.89 -0.43 -0.19 1.01 -1.26 -3.02 116.67 119.29 3kxf s ASP 223 Ca 0.45 2.02 -0.03 0.00 0.71 0.00 0.00 52.55 55.69 3kxf s ASP 223 Cb -0.24 -2.56 0.08 0.00 1.01 0.00 0.00 42.92 41.21 3kxf s ASP 223 CO 0.30 -0.70 2.68 0.00 0.21 0.00 0.00 175.17 177.66 3kxf n GLN 224 N 5.52 2.32 -0.19 8.23 1.13 -0.93 -4.81 117.38 128.64 3kxf n GLN 224 Ca 0.13 -2.23 -0.01 0.00 -1.94 0.00 0.00 57.00 52.94 3kxf n GLN 224 Cb 0.44 -2.07 0.01 0.00 0.11 0.00 0.00 30.24 28.73 3kxf n GLN 224 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 3kxf n THR 225 N 0.81 -0.28 -3.72 5.09 -2.24 -1.26 -3.24 114.28 109.45 3kxf n THR 225 Ca 0.46 1.17 -0.14 0.00 -2.27 0.00 0.00 64.05 63.27 3kxf n THR 225 Cb 0.56 -1.53 -0.14 0.00 -2.10 0.00 0.00 70.33 67.12 3kxf n THR 225 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kxf s GLN 226 N -5.43 0.11 -0.38 -0.78 1.03 -1.26 -3.70 119.66 109.25 3kxf s GLN 226 Ca -0.07 0.47 -0.23 0.00 0.04 0.00 0.00 55.36 55.57 3kxf s GLN 226 Cb 0.09 -0.18 0.01 0.00 0.03 0.00 0.00 33.01 32.97 3kxf s GLN 226 CO 0.35 -0.20 0.77 -0.51 -2.54 0.00 0.00 175.29 173.15 3kxf s ASP 227 N 1.50 6.52 -0.10 12.60 1.11 -1.25 -5.18 116.67 131.87 3kxf s ASP 227 Ca -0.06 0.27 -0.04 0.00 0.18 0.00 0.00 52.55 52.90 3kxf s ASP 227 Cb -0.11 -2.39 0.05 0.00 1.07 0.00 0.00 42.92 41.54 3kxf s ASP 227 CO -0.07 -0.75 0.18 0.28 1.18 0.00 0.00 175.17 175.99 3kxf s THR 228 N 3.09 -0.28 -0.09 -1.27 -1.32 -1.20 -4.73 115.64 109.84 3kxf s THR 228 Ca 0.30 0.30 -0.30 0.00 -1.21 0.00 0.00 61.69 60.79 3kxf s THR 228 Cb -0.13 -0.35 -0.02 0.00 -1.51 0.00 0.00 72.50 70.49 3kxf s THR 228 CO 0.18 0.11 1.12 -0.70 -2.21 0.00 0.00 174.62 173.12 3kxf s GLU 229 N 2.31 4.36 -0.11 7.08 2.12 0.11 -4.91 118.70 129.66 3kxf s GLU 229 Ca 0.03 1.55 -0.01 0.00 0.36 0.00 0.00 54.97 56.90 3kxf s GLU 229 Cb -0.12 -3.57 0.03 0.00 0.26 0.00 0.00 34.13 30.73 3kxf s GLU 229 CO -0.07 -0.43 -0.02 -1.17 -0.54 0.00 0.00 175.26 173.04 3kxf s LEU 230 N 2.29 0.93 0.18 2.70 2.96 -1.26 -0.33 118.68 126.15 3kxf s LEU 230 Ca 0.52 -0.31 -0.14 0.00 -0.22 0.00 0.00 54.13 53.98 3kxf s LEU 230 Cb -0.21 -0.61 -0.07 0.00 0.50 0.00 0.00 46.19 45.79 3kxf s LEU 230 CO 0.19 -0.19 0.58 0.68 -1.32 0.00 0.00 176.35 176.29 3kxf s VAL 231 N 1.85 4.82 0.16 1.68 -7.23 -1.13 -5.04 120.40 115.51 3kxf s VAL 231 Ca 0.04 0.83 -0.32 0.00 -1.81 0.00 0.00 61.98 60.72 3kxf s VAL 231 Cb -0.13 -3.72 -0.10 0.00 0.56 0.00 0.00 36.38 32.98 3kxf s VAL 231 CO -0.07 0.15 1.62 -0.70 -0.31 0.00 0.00 175.10 175.79 3kxf s GLU 232 N -2.18 4.19 0.23 4.82 2.12 -1.26 -4.59 118.70 122.03 3kxf s GLU 232 Ca 0.41 2.42 -0.29 0.00 0.36 0.00 0.00 54.97 57.87 3kxf s GLU 232 Cb -0.14 -3.20 -0.15 0.00 0.26 0.00 0.00 34.13 30.90 3kxf s GLU 232 CO 0.20 -0.66 0.91 2.41 -0.54 0.00 0.00 175.26 177.58 3kxf n THR 233 N 4.07 1.70 -4.07 -1.70 -1.04 -1.26 -4.91 114.28 107.07 3kxf n THR 233 Ca 0.15 -0.43 -0.13 0.00 -2.04 0.00 0.00 64.05 61.60 3kxf n THR 233 Cb 0.38 -0.66 -0.12 0.00 -1.82 0.00 0.00 70.33 68.11 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 -1.11 0.45 0.34 -2.82 1.70 0.10 -4.97 118.95 112.64 3kxf s ARG 234 Ca 0.64 -0.55 -0.28 0.00 -0.47 0.00 0.00 55.73 55.08 3kxf s ARG 234 Cb -0.81 -0.26 -0.09 0.00 -0.57 0.00 0.00 34.95 33.21 3kxf s ARG 234 CO 0.57 0.05 1.19 -1.25 -1.08 0.00 0.00 175.30 174.79 3kxf s PRO 235 N -1.09 4.32 0.19 3.89 0.04 -1.26 -0.30 135.00 140.79 3kxf s PRO 235 Ca -0.07 1.95 0.10 0.00 0.04 0.00 0.00 61.00 63.02 3kxf s PRO 235 Cb -0.07 -2.95 -0.04 0.00 0.04 0.00 0.00 34.50 31.47 3kxf s PRO 235 CO 0.00 -0.12 1.37 0.00 0.04 0.00 0.00 177.00 178.29 3kxf h ALA 236 N 3.21 0.52 0.00 8.56 0.00 -1.00 -3.45 119.26 127.10 3kxf h ALA 236 Ca -0.48 -0.72 0.00 0.00 0.00 0.00 0.00 54.91 53.70 3kxf h ALA 236 Cb 1.23 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3kxf h ALA 236 CO 0.65 1.00 0.00 0.41 0.00 0.00 0.00 179.25 181.30 3kxf n GLY 237 N 1.18 0.38 1.12 0.00 0.00 -1.26 -4.90 105.19 101.71 3kxf n GLY 237 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 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 4.27 0.00 1.61 5.68 -1.26 -4.93 116.55 121.92 3kxf n ASP 238 Ca 0.00 -3.02 0.00 0.00 -0.50 0.00 0.00 54.79 51.27 3kxf n ASP 238 Cb 0.00 -0.58 0.00 0.00 -1.14 0.00 0.00 41.12 39.40 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 -0.29 -0.04 -3.63 0.11 1.74 -1.26 -5.05 116.66 108.24 3kxf n ARG 239 Ca 0.23 0.01 -0.20 0.00 -0.77 0.00 0.00 57.85 57.12 3kxf n ARG 239 Cb 0.97 -2.81 -0.02 0.00 -1.02 0.00 0.00 32.46 29.58 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 -3.00 3.92 0.18 0.55 -4.23 -1.26 -4.91 115.64 106.89 3kxf s THR 240 Ca 0.00 -1.15 0.10 0.00 -1.18 0.00 0.00 61.69 59.46 3kxf s THR 240 Cb 0.00 -3.34 -0.04 0.00 1.34 0.00 0.00 72.50 70.45 3kxf s THR 240 CO 0.00 -0.17 -0.17 -0.36 -0.54 0.00 0.00 174.62 173.37 3kxf s PHE 241 N -2.22 2.47 0.02 3.99 0.40 0.30 -0.31 117.98 122.64 3kxf s PHE 241 Ca 0.43 -0.29 0.05 0.00 -0.60 0.00 0.00 56.93 56.52 3kxf s PHE 241 Cb -0.08 -1.22 -0.02 0.00 0.51 0.00 0.00 43.02 42.21 3kxf s PHE 241 CO 0.29 0.49 -0.15 -0.65 0.70 0.00 0.00 175.22 175.91 3kxf s GLN 242 N -2.69 1.05 -0.02 0.44 -0.21 0.59 -1.79 119.66 117.04 3kxf s GLN 242 Ca 0.22 -0.70 -0.23 0.00 0.02 0.00 0.00 55.36 54.67 3kxf s GLN 242 Cb -0.09 -1.06 0.05 0.00 1.00 0.00 0.00 33.01 32.91 3kxf s GLN 242 CO 0.12 0.27 0.51 0.21 -2.12 0.00 0.00 175.29 174.28 3kxf s LYS 243 N -0.89 0.91 0.04 2.91 2.20 -0.35 -0.72 119.74 123.84 3kxf s LYS 243 Ca 0.03 -0.01 -0.03 0.00 -0.36 0.00 0.00 55.97 55.60 3kxf s LYS 243 Cb -0.07 0.42 -0.02 0.00 -1.51 0.00 0.00 37.83 36.65 3kxf s LYS 243 CO 0.01 -0.28 0.04 1.67 -0.36 0.00 0.00 175.35 176.43 3kxf s TRP 244 N -1.49 0.31 -0.05 4.03 1.48 -1.26 -0.57 118.94 121.39 3kxf s TRP 244 Ca -0.11 -0.70 0.01 0.00 -1.06 0.00 0.00 56.10 54.24 3kxf s TRP 244 Cb -0.02 -0.22 0.02 0.00 -1.16 0.00 0.00 33.47 32.09 3kxf s TRP 244 CO 0.06 -0.35 -0.05 0.00 -4.06 0.00 0.00 176.95 172.55 3kxf s ALA 245 N -2.94 0.71 0.07 2.67 0.00 0.23 -2.86 121.76 119.63 3kxf s ALA 245 Ca -0.02 -0.08 0.08 0.00 0.00 0.00 0.00 51.96 51.94 3kxf s ALA 245 Cb 0.01 -0.45 -0.03 0.00 0.00 0.00 0.00 23.12 22.65 3kxf s ALA 245 CO -0.06 -0.04 -0.21 0.00 0.00 0.00 0.00 175.76 175.45 3kxf s ALA 246 N 0.97 1.81 0.02 0.00 0.00 0.55 0.04 121.76 125.15 3kxf s ALA 246 Ca -0.10 -1.16 0.02 0.00 0.00 0.00 0.00 51.96 50.72 3kxf s ALA 246 Cb -0.14 -0.30 -0.01 0.00 0.00 0.00 0.00 23.12 22.66 3kxf s ALA 246 CO -0.00 0.39 -0.07 0.14 0.00 0.00 0.00 175.76 176.21 3kxf s VAL 247 N -0.98 0.55 -0.38 0.00 -7.23 -0.90 0.06 120.40 111.53 3kxf s VAL 247 Ca 0.07 -0.62 -0.19 0.00 -1.81 0.00 0.00 61.98 59.44 3kxf s VAL 247 Cb -0.09 -0.53 0.01 0.00 0.56 0.00 0.00 36.38 36.32 3kxf s VAL 247 CO 0.03 -0.06 0.54 -0.69 -0.31 0.00 0.00 175.10 174.61 3kxf s VAL 248 N -0.65 4.98 0.28 1.32 1.01 -1.26 -1.31 120.40 124.76 3kxf s VAL 248 Ca -0.02 0.23 0.09 0.00 0.00 0.00 0.00 61.98 62.28 3kxf s VAL 248 Cb -0.06 -4.03 -0.04 0.00 0.00 0.00 0.00 36.38 32.25 3kxf s VAL 248 CO 0.00 -0.33 0.01 0.68 0.00 0.00 0.00 175.10 175.47 3kxf s VAL 249 N 2.47 3.39 0.93 2.92 -7.23 0.13 -4.91 120.40 118.10 3kxf s VAL 249 Ca 0.19 -1.89 -0.12 0.00 -1.81 0.00 0.00 61.98 58.36 3kxf s VAL 249 Cb -0.15 -2.87 0.15 0.00 0.56 0.00 0.00 36.38 34.07 3kxf s VAL 249 CO 0.15 -0.35 1.09 -2.84 -0.31 0.00 0.00 175.10 172.84 3kxf s PRO 250 N -3.70 0.97 -0.13 4.82 0.02 -1.26 -0.11 135.00 135.62 3kxf s PRO 250 Ca 0.32 0.70 -0.01 0.00 0.02 0.00 0.00 61.00 62.04 3kxf s PRO 250 Cb -0.06 -1.79 -0.02 0.00 0.02 0.00 0.00 34.50 32.66 3kxf s PRO 250 CO 0.20 -2.41 -0.09 -1.54 -0.33 0.00 0.00 177.00 172.83 3kxf s SER 251 N -3.45 4.33 0.00 2.53 1.04 -0.61 -4.28 113.70 113.26 3kxf s SER 251 Ca 0.64 -0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.84 3kxf s SER 251 Cb -0.18 -1.59 0.00 0.00 0.10 0.00 0.00 66.02 64.35 3kxf s SER 251 CO 0.57 0.19 0.00 0.61 0.98 0.00 0.00 173.24 175.59 3kxf n GLY 252 N 3.35 1.86 2.53 7.32 0.00 -1.26 -4.86 105.19 114.13 3kxf n GLY 252 Ca -0.18 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.80 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 0.00 -1.81 -0.15 1.61 1.02 -1.26 -4.78 120.64 115.27 3kxf n GLU 253 Ca 0.00 0.49 -0.04 0.00 -0.02 0.00 0.00 57.16 57.59 3kxf n GLU 253 Cb 0.00 -4.49 0.16 0.00 -0.02 0.00 0.00 31.44 27.09 3kxf n GLU 253 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 3kxf h GLU 254 N 0.00 0.87 -0.25 3.49 3.07 -1.98 -3.26 114.58 116.53 3kxf h GLU 254 Ca -0.08 -0.20 0.07 0.00 -0.50 0.00 0.00 59.36 58.64 3kxf h GLU 254 Cb 0.77 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.55 3kxf h GLU 254 CO 0.12 0.81 0.19 -0.56 -1.40 0.00 0.00 179.01 178.18 3kxf h GLN 255 N 0.83 0.00 -1.28 2.33 -0.00 -1.92 -2.42 115.11 112.64 3kxf h GLN 255 Ca 0.17 0.00 -0.27 0.00 -0.00 0.00 0.00 58.65 58.56 3kxf h GLN 255 Cb 0.36 0.00 -0.13 0.00 -0.00 0.00 0.00 27.48 27.71 3kxf h GLN 255 CO 0.01 0.00 0.34 0.54 -0.00 0.00 0.00 178.83 179.72 3kxf n ARG 256 N -4.32 1.65 -4.84 0.06 1.74 -1.23 -4.84 116.66 104.89 3kxf n ARG 256 Ca 0.03 -1.40 -0.26 0.00 -0.77 0.00 0.00 57.85 55.45 3kxf n ARG 256 Cb 0.34 -1.55 -0.16 0.00 -1.02 0.00 0.00 32.46 30.07 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 -1.59 1.70 -0.03 -1.55 2.02 -0.92 -3.25 117.35 113.74 3kxf s TYR 257 Ca 0.27 -0.46 0.02 0.00 -0.37 0.00 0.00 57.07 56.53 3kxf s TYR 257 Cb 0.22 -1.13 0.01 0.00 -0.40 0.00 0.00 41.96 40.66 3kxf s TYR 257 CO 0.02 -0.14 -0.07 0.95 -1.57 0.00 0.00 175.55 174.74 3kxf s THR 258 N -0.05 0.66 -0.23 -0.71 -4.23 0.54 -4.55 115.64 107.08 3kxf s THR 258 Ca -0.02 -0.25 -0.12 0.00 -1.18 0.00 0.00 61.69 60.12 3kxf s THR 258 Cb -0.11 -0.63 -0.05 0.00 1.34 0.00 0.00 72.50 73.06 3kxf s THR 258 CO 0.02 0.23 0.25 0.00 -0.54 0.00 0.00 174.62 174.57 3kxf s HIS 260 N 1.20 2.91 -0.01 0.00 3.76 -0.28 0.52 115.29 123.39 3kxf s HIS 260 Ca 0.12 -0.86 0.06 0.00 -0.15 0.00 0.00 55.06 54.23 3kxf s HIS 260 Cb -0.14 -2.01 -0.03 0.00 1.11 0.00 0.00 32.58 31.51 3kxf s HIS 260 CO 0.06 -0.44 -0.18 0.14 -0.85 0.00 0.00 174.74 173.47 3kxf s VAL 261 N 1.08 2.73 -0.09 -0.90 -7.23 -0.37 -2.32 120.40 113.31 3kxf s VAL 261 Ca 0.01 -0.99 0.01 0.00 -1.81 0.00 0.00 61.98 59.20 3kxf s VAL 261 Cb -0.15 -2.08 0.02 0.00 0.56 0.00 0.00 36.38 34.73 3kxf s VAL 261 CO -0.01 0.49 -0.11 -1.10 -0.31 0.00 0.00 175.10 174.05 3kxf s GLN 262 N -0.98 1.73 -0.05 4.82 -0.21 -0.87 -1.51 119.66 122.59 3kxf s GLN 262 Ca 0.12 -0.39 -0.27 0.00 0.02 0.00 0.00 55.36 54.85 3kxf s GLN 262 Cb -0.10 -1.53 0.06 0.00 1.00 0.00 0.00 33.01 32.43 3kxf s GLN 262 CO 0.02 -0.07 0.59 -1.58 -2.12 0.00 0.00 175.29 172.13 3kxf s HIS 263 N 1.01 -0.55 0.54 0.91 2.46 -1.26 -2.10 115.29 116.31 3kxf s HIS 263 Ca -0.08 0.97 0.27 0.00 0.47 0.00 0.00 55.06 56.69 3kxf s HIS 263 Cb -0.15 0.33 1.44 0.00 -0.13 0.00 0.00 32.58 34.07 3kxf s HIS 263 CO -0.01 -0.54 1.97 0.93 -2.47 0.00 0.00 174.74 174.62 3kxf h GLU 264 N 3.35 0.00 0.00 2.88 5.08 -1.91 0.20 114.58 124.18 3kxf h GLU 264 Ca -0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 3kxf h GLU 264 Cb 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 3kxf h GLU 264 CO 0.37 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.79 3kxf n GLY 265 N -1.62 -1.23 3.14 -3.84 0.00 -1.26 -4.50 105.19 95.88 3kxf n GLY 265 Ca 0.11 -0.09 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.86 5.38 0.34 0.99 1.43 0.71 -4.53 118.68 120.14 3kxf s LEU 266 Ca 0.15 -2.27 0.07 0.00 -1.03 0.00 0.00 54.13 51.05 3kxf s LEU 266 Cb 0.16 -1.88 0.75 0.00 0.03 0.00 0.00 46.19 45.24 3kxf s LEU 266 CO 0.41 -0.52 1.88 1.55 0.23 0.00 0.00 176.35 179.89 3kxf h PRO 267 N 7.82 0.75 -5.85 1.29 0.13 -1.80 -3.36 132.00 130.98 3kxf h PRO 267 Ca -0.11 -0.05 -0.67 0.00 -0.87 0.00 0.00 66.00 64.31 3kxf h PRO 267 Cb 1.02 -0.17 -0.32 0.00 0.13 0.00 0.00 31.00 31.67 3kxf h PRO 267 CO 0.74 0.50 -0.88 -1.59 -0.23 0.00 0.00 178.00 176.53 3kxf s LYS 268 N -5.74 2.51 0.69 0.86 -2.85 -1.26 -5.14 119.74 108.81 3kxf s LYS 268 Ca -0.10 -0.86 -0.16 0.00 -1.00 0.00 0.00 55.97 53.84 3kxf s LYS 268 Cb 0.22 -2.10 0.02 0.00 -2.06 0.00 0.00 37.83 33.90 3kxf s LYS 268 CO 0.79 0.34 1.22 -1.25 0.10 0.00 0.00 175.35 176.55 3kxf s PRO 269 N -0.08 2.36 0.28 1.78 0.04 -1.26 -5.02 135.00 133.10 3kxf s PRO 269 Ca -0.05 1.81 -0.06 0.00 0.04 0.00 0.00 61.00 62.74 3kxf s PRO 269 Cb -0.14 -1.85 -0.05 0.00 0.04 0.00 0.00 34.50 32.49 3kxf s PRO 269 CO 0.04 -1.67 0.55 -0.51 0.04 0.00 0.00 177.00 175.45 3kxf s LEU 270 N -4.83 4.08 -0.13 -3.56 1.43 -0.57 -4.93 118.68 110.17 3kxf s LEU 270 Ca 0.76 0.74 -0.02 0.00 -1.03 0.00 0.00 54.13 54.58 3kxf s LEU 270 Cb -0.30 -3.55 0.04 0.00 0.03 0.00 0.00 46.19 42.41 3kxf s LEU 270 CO 0.42 -0.17 0.02 0.42 0.23 0.00 0.00 176.35 177.27 3kxf s THR 271 N -2.04 0.40 0.15 5.49 -4.23 -1.26 -1.23 115.64 112.92 3kxf s THR 271 Ca 0.44 -0.16 0.06 0.00 -1.18 0.00 0.00 61.69 60.85 3kxf s THR 271 Cb -0.11 -0.73 -0.04 0.00 1.34 0.00 0.00 72.50 72.96 3kxf s THR 271 CO 0.29 0.04 0.03 -0.76 -0.54 0.00 0.00 174.62 173.68 3kxf s LEU 272 N 1.94 3.48 0.13 4.79 1.02 0.18 -4.88 118.68 125.34 3kxf s LEU 272 Ca 0.02 -0.27 0.10 0.00 0.02 0.00 0.00 54.13 54.00 3kxf s LEU 272 Cb -0.14 -2.14 -0.04 0.00 0.02 0.00 0.00 46.19 43.89 3kxf s LEU 272 CO -0.07 0.10 -0.23 -0.13 0.02 0.00 0.00 176.35 176.05 3kxf s ARG 273 N -2.83 1.29 0.21 1.70 0.52 -1.26 -0.45 118.95 118.13 3kxf s ARG 273 Ca 0.28 -1.31 -0.31 0.00 -0.52 0.00 0.00 55.73 53.87 3kxf s ARG 273 Cb -0.10 -1.61 -0.11 0.00 0.52 0.00 0.00 34.95 33.65 3kxf s ARG 273 CO 0.20 0.37 1.62 -0.46 0.02 0.00 0.00 175.30 177.04 3kxf s TRP 274 N -1.32 2.95 -0.39 -0.53 -0.00 -1.26 -4.73 118.94 113.67 3kxf s TRP 274 Ca 0.12 0.59 0.04 0.00 -0.00 0.00 0.00 56.10 56.85 3kxf s TRP 274 Cb -0.09 -4.02 0.11 0.00 -0.00 0.00 0.00 33.47 29.47 3kxf s TRP 274 CO 0.06 -3.70 0.11 -1.21 -0.00 0.00 0.00 176.95 172.21 3kxf s GLU 275 N 0.72 1.54 0.00 5.86 2.02 -1.26 -4.95 118.70 122.63 3kxf s GLU 275 Ca 0.69 -2.01 0.00 0.00 0.02 0.00 0.00 54.97 53.67 3kxf s GLU 275 Cb -0.46 -3.12 0.00 0.00 0.10 0.00 0.00 34.13 30.65 3kxf s GLU 275 CO 0.36 -0.99 0.41 -0.35 0.02 0.00 0.00 175.26 174.70