#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xwg s GLU 3 N 0.00 4.16 0.26 0.00 2.02 -1.26 -4.98 118.70 118.91 1xwg s GLU 3 Ca 0.00 2.50 -0.30 0.00 0.02 0.00 0.00 54.97 57.19 1xwg s GLU 3 Cb 0.00 -3.04 -0.10 0.00 0.10 0.00 0.00 34.13 31.09 1xwg s GLU 3 CO 0.00 -0.55 1.45 0.15 0.02 0.00 0.00 175.26 176.34 1xwg s LYS 4 N -0.81 4.25 0.26 1.61 1.02 -1.26 -4.89 119.74 119.92 1xwg s LYS 4 Ca 0.60 2.34 -0.30 0.00 0.02 0.00 0.00 55.97 58.63 1xwg s LYS 4 Cb -0.46 -3.09 -0.14 0.00 -0.52 0.00 0.00 37.83 33.62 1xwg s LYS 4 CO 0.50 -0.44 1.14 -2.30 -0.92 0.00 0.00 175.35 173.33 1xwg n PRO 5 N 2.19 1.50 -3.88 -1.68 -0.02 -1.26 -4.82 135.00 127.04 1xwg n PRO 5 Ca 0.06 0.53 -0.35 0.00 -2.02 0.00 0.00 63.50 61.72 1xwg n PRO 5 Cb 0.40 -2.00 -0.14 0.00 -0.02 0.00 0.00 33.50 31.74 1xwg n PRO 5 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1xwg s LYS 6 N -1.15 3.36 -0.32 -0.52 2.20 -0.68 -1.83 119.74 120.80 1xwg s LYS 6 Ca 0.63 -0.64 -0.12 0.00 -0.36 0.00 0.00 55.97 55.47 1xwg s LYS 6 Cb -0.71 -3.07 -0.03 0.00 -1.51 0.00 0.00 37.83 32.51 1xwg s LYS 6 CO 0.57 -0.23 0.22 -0.51 -0.36 0.00 0.00 175.35 175.05 1xwg s LEU 7 N 1.49 4.35 -0.44 5.43 1.43 -0.30 -1.24 118.68 129.40 1xwg s LEU 7 Ca 0.05 -0.28 -0.18 0.00 -1.03 0.00 0.00 54.13 52.70 1xwg s LEU 7 Cb -0.15 -2.13 0.03 0.00 0.03 0.00 0.00 46.19 43.97 1xwg s LEU 7 CO -0.02 -0.17 0.51 -1.00 0.23 0.00 0.00 176.35 175.90 1xwg s HIS 8 N 1.74 3.13 0.33 0.29 3.76 0.91 -1.30 115.29 124.14 1xwg s HIS 8 Ca 0.06 -0.38 -0.19 0.00 -0.15 0.00 0.00 55.06 54.41 1xwg s HIS 8 Cb -0.17 -3.11 0.04 0.00 1.11 0.00 0.00 32.58 30.44 1xwg s HIS 8 CO 0.11 -0.80 0.75 -0.47 -0.85 0.00 0.00 174.74 173.48 1xwg s TYR 9 N 2.33 -0.05 0.69 1.40 5.04 -1.21 -2.36 117.35 123.20 1xwg s TYR 9 Ca 0.14 -0.51 -0.15 0.00 -2.44 0.00 0.00 57.07 54.11 1xwg s TYR 9 Cb -0.17 0.76 0.02 0.00 0.35 0.00 0.00 41.96 42.92 1xwg s TYR 9 CO 0.14 -1.38 1.15 -0.06 -1.34 0.00 0.00 175.55 174.06 1xwg s PHE 10 N -3.21 2.36 -1.17 4.97 0.08 -1.26 -1.25 117.98 118.50 1xwg s PHE 10 Ca 0.13 1.58 -0.22 0.00 0.12 0.00 0.00 56.93 58.54 1xwg s PHE 10 Cb -0.06 -3.30 -0.04 0.00 -0.57 0.00 0.00 43.02 39.05 1xwg s PHE 10 CO 0.09 -2.10 1.87 1.21 -0.10 0.00 0.00 175.22 176.19 1xwg s ASN 11 N -2.34 5.48 -0.00 1.36 3.84 -1.26 -4.79 114.94 117.23 1xwg s ASN 11 Ca 0.70 -1.71 -0.30 0.00 0.21 0.00 0.00 52.86 51.77 1xwg s ASN 11 Cb -0.24 -2.58 0.11 0.00 -0.55 0.00 0.00 41.25 37.99 1xwg s ASN 11 CO 0.43 -2.58 1.22 0.00 -2.79 0.00 0.00 177.10 173.38 1xwg s ALA 12 N 9.25 -2.12 0.00 1.71 0.00 -1.26 -5.06 121.76 124.27 1xwg s ALA 12 Ca 0.65 0.69 -0.06 0.00 0.00 0.00 0.00 51.96 53.23 1xwg s ALA 12 Cb -0.00 0.36 -0.03 0.00 0.00 0.00 0.00 23.12 23.45 1xwg s ALA 12 CO 0.10 -1.01 0.72 0.00 0.00 0.00 0.00 175.76 175.57 1xwg h ARG 13 N 2.00 -0.21 0.00 0.00 3.08 -1.87 -3.44 114.38 113.94 1xwg h ARG 13 Ca -0.28 0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.79 1xwg h ARG 13 Cb 1.20 0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.30 1xwg h ARG 13 CO 0.27 -0.14 0.00 0.41 -1.07 0.00 0.00 179.97 179.44 1xwg n GLY 14 N -0.02 2.01 0.90 0.04 0.00 -1.26 -1.46 105.19 105.40 1xwg n GLY 14 Ca -0.03 0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.16 1xwg n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xwg n ARG 15 N 11.27 2.18 -0.00 1.61 1.74 -1.26 -3.86 116.66 128.33 1xwg n ARG 15 Ca 0.00 -1.78 0.11 0.00 -0.77 0.00 0.00 57.85 55.41 1xwg n ARG 15 Cb 0.00 -1.46 -0.13 0.00 -1.02 0.00 0.00 32.46 29.85 1xwg n ARG 15 CO 0.00 0.00 0.00 -0.12 -1.52 0.00 0.00 177.63 175.99 1xwg n MET 16 N 1.00 0.36 -0.27 5.56 1.56 -0.98 -4.69 117.12 119.68 1xwg n MET 16 Ca 0.18 -0.10 -0.06 0.00 -0.27 0.00 0.00 57.70 57.45 1xwg n MET 16 Cb 0.49 -1.52 0.08 0.00 2.15 0.00 0.00 33.22 34.42 1xwg n MET 16 CO 0.00 0.00 0.00 1.49 -0.73 0.00 0.00 175.97 176.73 1xwg h GLU 17 N 0.00 1.15 -0.18 2.12 4.57 -1.36 -1.95 114.58 118.92 1xwg h GLU 17 Ca 0.00 -0.22 -0.03 0.00 -1.18 0.00 0.00 59.36 57.93 1xwg h GLU 17 Cb 0.78 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 29.18 1xwg h GLU 17 CO 0.00 0.95 -0.00 0.77 -1.18 0.00 0.00 179.01 179.55 1xwg h SER 18 N 1.11 0.24 -0.34 1.04 0.02 -1.85 -1.21 113.55 112.56 1xwg h SER 18 Ca 0.25 -0.03 -0.12 0.00 -0.84 0.00 0.00 61.79 61.05 1xwg h SER 18 Cb 0.26 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 1xwg h SER 18 CO -0.01 0.29 -0.26 0.74 -1.14 0.00 0.00 176.83 176.44 1xwg h THR 19 N 0.26 1.29 -0.39 -2.27 2.02 -1.68 -1.44 112.91 110.70 1xwg h THR 19 Ca 0.06 -1.42 0.05 0.00 0.77 0.00 0.00 66.41 65.87 1xwg h THR 19 Cb 0.19 1.45 -0.04 0.00 -1.74 0.00 0.00 68.15 68.00 1xwg h THR 19 CO 0.00 0.46 0.12 0.03 0.37 0.00 0.00 175.52 176.51 1xwg h ARG 20 N 0.56 0.27 -0.30 6.66 3.08 -0.87 -0.84 114.38 122.93 1xwg h ARG 20 Ca 0.06 -0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.13 1xwg h ARG 20 Cb 0.83 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.79 1xwg h ARG 20 CO 0.07 0.18 0.10 -1.49 -1.07 0.00 0.00 179.97 177.75 1xwg h TRP 21 N 0.27 0.17 -0.13 3.04 4.06 -1.16 -1.24 115.95 120.96 1xwg h TRP 21 Ca 0.18 0.02 -0.02 0.00 2.06 0.00 0.00 58.89 61.13 1xwg h TRP 21 Cb 0.17 -0.03 -0.01 0.00 -1.00 0.00 0.00 29.16 28.29 1xwg h TRP 21 CO -0.16 0.07 0.02 1.25 -3.56 0.00 0.00 178.44 176.07 1xwg h LEU 22 N 0.22 0.21 -0.59 -4.49 5.85 -0.95 0.15 115.31 115.71 1xwg h LEU 22 Ca 0.13 -0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 1xwg h LEU 22 Cb 0.11 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 1xwg h LEU 22 CO -0.14 0.42 0.32 -0.07 -0.34 0.00 0.00 178.44 178.63 1xwg h LEU 23 N -0.01 0.74 -0.63 2.25 3.38 -1.15 -1.30 115.31 118.59 1xwg h LEU 23 Ca 0.04 -0.10 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 1xwg h LEU 23 Cb 0.30 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1xwg h LEU 23 CO 0.00 0.62 0.09 0.00 0.09 0.00 0.00 178.44 179.25 1xwg h ALA 24 N 1.14 0.83 -0.63 1.53 0.00 -1.03 -1.07 119.26 120.03 1xwg h ALA 24 Ca 0.21 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1xwg h ALA 24 Cb 0.05 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1xwg h ALA 24 CO -0.03 0.60 0.36 0.00 0.00 0.00 0.00 179.25 180.19 1xwg h ALA 25 N 1.02 1.45 -0.00 0.00 0.00 -0.34 -1.38 119.26 120.01 1xwg h ALA 25 Ca 0.19 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1xwg h ALA 25 Cb 0.45 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1xwg h ALA 25 CO 0.01 0.47 -0.00 0.00 0.00 0.00 0.00 179.25 179.73 1xwg n ALA 26 N -2.44 2.61 -1.74 0.00 0.00 -0.52 -4.78 120.51 113.64 1xwg n ALA 26 Ca 0.06 -0.18 -0.06 0.00 0.00 0.00 0.00 53.44 53.26 1xwg n ALA 26 Cb 0.08 -1.50 -0.01 0.00 0.00 0.00 0.00 19.45 18.02 1xwg n ALA 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xwg n GLY 27 N 1.12 0.40 3.67 0.00 0.00 -0.52 -5.03 105.19 104.83 1xwg n GLY 27 Ca 0.20 -0.71 -0.36 0.00 0.00 0.00 0.00 46.02 45.16 1xwg n GLY 27 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xwg s VAL 28 N -2.26 5.22 0.09 1.61 1.01 -0.45 -5.03 120.40 120.59 1xwg s VAL 28 Ca 0.00 0.13 -0.26 0.00 0.00 0.00 0.00 61.98 61.85 1xwg s VAL 28 Cb 0.00 -3.40 -0.06 0.00 0.00 0.00 0.00 36.38 32.92 1xwg s VAL 28 CO 0.00 0.40 0.79 -1.61 0.00 0.00 0.00 175.10 174.68 1xwg s GLU 29 N 0.71 4.54 0.12 2.72 2.02 -1.26 -4.34 118.70 123.21 1xwg s GLU 29 Ca 0.07 1.14 0.02 0.00 0.02 0.00 0.00 54.97 56.21 1xwg s GLU 29 Cb -0.12 -3.34 -0.04 0.00 0.10 0.00 0.00 34.13 30.73 1xwg s GLU 29 CO 0.01 0.36 -0.04 -0.59 0.02 0.00 0.00 175.26 175.02 1xwg s PHE 30 N -0.36 0.98 0.23 1.61 -0.12 -1.26 -4.16 117.98 114.90 1xwg s PHE 30 Ca 0.39 -0.96 0.10 0.00 -0.05 0.00 0.00 56.93 56.41 1xwg s PHE 30 Cb -0.22 -0.56 -0.04 0.00 -0.63 0.00 0.00 43.02 41.57 1xwg s PHE 30 CO 0.25 -0.19 -0.12 -1.83 -0.05 0.00 0.00 175.22 173.27 1xwg s GLU 31 N -3.87 1.93 -0.03 1.99 -1.05 -0.76 -5.00 118.70 111.91 1xwg s GLU 31 Ca 0.16 -1.47 0.06 0.00 -0.15 0.00 0.00 54.97 53.57 1xwg s GLU 31 Cb 0.06 -2.01 -0.01 0.00 -0.44 0.00 0.00 34.13 31.72 1xwg s GLU 31 CO -0.02 0.39 -0.21 -1.21 0.95 0.00 0.00 175.26 175.16 1xwg s GLU 32 N -3.16 1.88 -0.30 -4.83 2.02 -1.26 -1.15 118.70 111.91 1xwg s GLU 32 Ca 0.27 -0.74 0.01 0.00 0.02 0.00 0.00 54.97 54.54 1xwg s GLU 32 Cb -0.07 -1.71 0.07 0.00 0.10 0.00 0.00 34.13 32.51 1xwg s GLU 32 CO 0.15 0.38 -0.03 0.21 0.02 0.00 0.00 175.26 175.99 1xwg s LYS 33 N -0.27 2.14 0.06 1.61 2.36 -0.42 -4.92 119.74 120.30 1xwg s LYS 33 Ca 0.02 -1.46 -0.27 0.00 -2.55 0.00 0.00 55.97 51.72 1xwg s LYS 33 Cb -0.10 -3.08 -0.05 0.00 -1.05 0.00 0.00 37.83 33.54 1xwg s LYS 33 CO 0.01 -0.69 0.83 -0.06 1.55 0.00 0.00 175.35 176.99 1xwg s PHE 34 N 1.11 3.76 -0.26 4.03 0.08 -1.26 -3.30 117.98 122.13 1xwg s PHE 34 Ca -0.03 1.58 -0.24 0.00 0.12 0.00 0.00 56.93 58.36 1xwg s PHE 34 Cb -0.20 -2.90 -0.01 0.00 -0.57 0.00 0.00 43.02 39.34 1xwg s PHE 34 CO -0.04 0.24 0.79 0.42 -0.10 0.00 0.00 175.22 176.53 1xwg s ILE 35 N -0.00 4.84 -0.27 0.64 1.01 -0.38 -4.92 121.20 122.12 1xwg s ILE 35 Ca 0.41 1.42 0.03 0.00 0.00 0.00 0.00 60.65 62.51 1xwg s ILE 35 Cb -0.21 -4.10 0.00 0.00 0.01 0.00 0.00 42.46 38.16 1xwg s ILE 35 CO 0.25 -0.10 0.40 0.29 0.00 0.00 0.00 174.94 175.77 1xwg n LYS 36 N 6.02 2.16 -3.83 2.79 5.02 -1.26 -4.38 118.16 124.67 1xwg n LYS 36 Ca 0.04 -0.40 -0.09 0.00 -2.02 0.00 0.00 58.31 55.84 1xwg n LYS 36 Cb 0.48 -0.88 -0.06 0.00 -0.02 0.00 0.00 35.03 34.55 1xwg n LYS 36 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1xwg s SER 37 N -0.65 -0.02 0.42 4.39 1.04 -1.26 -4.98 113.70 112.64 1xwg s SER 37 Ca 0.02 -0.64 0.16 0.00 0.48 0.00 0.00 55.95 55.97 1xwg s SER 37 Cb 0.02 0.43 0.92 0.00 0.10 0.00 0.00 66.02 67.49 1xwg s SER 37 CO 0.06 -0.85 1.92 0.00 0.98 0.00 0.00 173.24 175.36 1xwg h ALA 38 N 2.54 1.46 -0.47 5.32 0.00 -1.81 -1.91 119.26 124.39 1xwg h ALA 38 Ca -0.33 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.25 1xwg h ALA 38 Cb 1.23 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 1xwg h ALA 38 CO 0.50 0.34 -0.06 0.93 0.00 0.00 0.00 179.25 180.95 1xwg h GLU 39 N 0.00 0.83 -0.60 0.00 3.07 -1.95 -0.79 114.58 115.14 1xwg h GLU 39 Ca -0.00 -0.26 -0.01 0.00 -0.50 0.00 0.00 59.36 58.59 1xwg h GLU 39 Cb 0.50 -0.08 -0.03 0.00 -0.84 0.00 0.00 28.75 28.31 1xwg h GLU 39 CO 0.04 0.87 0.33 -0.44 -1.40 0.00 0.00 179.01 178.41 1xwg h ASP 40 N 0.76 0.76 -0.18 1.42 3.32 -1.75 -1.72 116.42 119.03 1xwg h ASP 40 Ca 0.13 -0.09 -0.04 0.00 0.02 0.00 0.00 57.03 57.05 1xwg h ASP 40 Cb 0.55 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 1xwg h ASP 40 CO 0.03 0.63 -0.04 0.25 -1.72 0.00 0.00 179.24 178.40 1xwg h LEU 41 N 0.82 0.35 -1.30 1.55 5.85 -1.35 -2.38 115.31 118.84 1xwg h LEU 41 Ca 0.21 -0.36 0.15 0.00 0.84 0.00 0.00 57.88 58.73 1xwg h LEU 41 Cb 0.05 -0.09 -0.07 0.00 0.37 0.00 0.00 40.66 40.91 1xwg h LEU 41 CO -0.03 0.62 0.58 0.44 -0.34 0.00 0.00 178.44 179.71 1xwg h ASP 42 N 0.06 0.63 -0.28 1.25 3.32 -1.03 -1.46 116.42 118.92 1xwg h ASP 42 Ca 0.05 0.04 -0.12 0.00 0.02 0.00 0.00 57.03 57.02 1xwg h ASP 42 Cb 0.47 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 39.94 1xwg h ASP 42 CO 0.02 0.30 -0.31 0.50 -1.72 0.00 0.00 179.24 178.02 1xwg h LYS 43 N 0.65 0.70 -0.78 3.56 1.63 -1.01 -0.22 116.57 121.10 1xwg h LYS 43 Ca 0.46 -0.39 0.06 0.00 -0.85 0.00 0.00 60.65 59.93 1xwg h LYS 43 Cb 0.79 0.02 -0.06 0.00 -0.60 0.00 0.00 32.23 32.38 1xwg h LYS 43 CO -0.21 1.00 0.47 -0.07 -3.45 0.00 0.00 179.45 177.19 1xwg h LEU 44 N 0.44 0.74 -0.09 5.20 3.38 -0.83 -0.50 115.31 123.64 1xwg h LEU 44 Ca 0.04 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1xwg h LEU 44 Cb 0.89 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.50 1xwg h LEU 44 CO 0.08 0.48 0.01 0.03 0.09 0.00 0.00 178.44 179.13 1xwg h ARG 45 N 0.87 0.16 0.00 1.13 3.08 -1.05 -2.11 114.38 116.45 1xwg h ARG 45 Ca 0.34 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 60.29 1xwg h ARG 45 Cb 0.16 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 1xwg h ARG 45 CO -0.17 0.37 -0.28 -0.91 -1.07 0.00 0.00 179.97 177.92 1xwg h ASN 46 N -0.08 0.00 -0.01 7.04 2.35 -0.88 -2.18 115.58 121.82 1xwg h ASN 46 Ca 0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 1xwg h ASN 46 Cb 0.29 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.66 1xwg h ASN 46 CO 0.00 0.28 0.00 0.47 -1.65 0.00 0.00 177.43 176.53 1xwg n ASP 47 N -3.47 0.14 -1.11 5.81 8.00 -0.21 -4.91 116.55 120.80 1xwg n ASP 47 Ca -0.00 -1.26 -0.12 0.00 0.71 0.00 0.00 54.79 54.11 1xwg n ASP 47 Cb 0.45 -0.01 -0.03 0.00 -0.02 0.00 0.00 41.12 41.51 1xwg n ASP 47 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xwg n GLY 48 N 0.91 0.75 0.17 0.44 0.00 -0.82 -4.93 105.19 101.71 1xwg n GLY 48 Ca 0.18 -0.43 0.13 0.00 0.00 0.00 0.00 46.02 45.90 1xwg n GLY 48 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1xwg h TYR 49 N 0.00 0.00 -3.68 1.61 -1.99 -1.59 -3.43 116.97 107.89 1xwg h TYR 49 Ca -0.26 0.00 -0.65 0.00 2.00 0.00 0.00 58.73 59.81 1xwg h TYR 49 Cb 0.96 0.00 -0.39 0.00 2.00 0.00 0.00 36.73 39.29 1xwg h TYR 49 CO 0.33 0.00 -0.74 -0.51 -0.00 0.00 0.00 178.16 177.24 1xwg s LEU 50 N -5.41 4.17 0.28 3.88 1.43 -1.26 -4.89 118.68 116.87 1xwg s LEU 50 Ca 0.08 -1.90 0.01 0.00 -1.03 0.00 0.00 54.13 51.29 1xwg s LEU 50 Cb 0.09 -1.53 0.60 0.00 0.03 0.00 0.00 46.19 45.38 1xwg s LEU 50 CO 0.61 -0.33 1.76 -0.03 0.23 0.00 0.00 176.35 178.59 1xwg h MET 51 N 7.70 0.65 -0.26 1.70 1.85 -1.86 -1.32 114.93 123.39 1xwg h MET 51 Ca -0.09 -0.04 -0.10 0.00 -0.61 0.00 0.00 59.70 58.87 1xwg h MET 51 Cb 1.03 -0.15 -0.06 0.00 0.43 0.00 0.00 31.60 32.85 1xwg h MET 51 CO 0.50 0.43 -0.09 1.19 -0.40 0.00 0.00 176.91 178.54 1xwg n PHE 52 N -4.84 0.83 -1.15 1.39 3.72 -1.26 -4.97 117.46 111.18 1xwg n PHE 52 Ca 0.19 -1.34 -0.05 0.00 -0.05 0.00 0.00 57.45 56.20 1xwg n PHE 52 Cb 0.48 -0.39 -0.02 0.00 -0.94 0.00 0.00 39.48 38.62 1xwg n PHE 52 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1xwg n GLN 53 N -1.00 -1.28 -4.35 -1.08 6.02 -0.50 -4.98 117.38 110.21 1xwg n GLN 53 Ca 0.27 0.59 -0.22 0.00 -0.01 0.00 0.00 57.00 57.62 1xwg n GLN 53 Cb 0.92 -4.67 -0.11 0.00 1.02 0.00 0.00 30.24 27.40 1xwg n GLN 53 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1xwg s GLN 54 N -2.06 1.33 0.34 -1.09 -0.21 -1.26 -4.95 119.66 111.76 1xwg s GLN 54 Ca 0.00 -1.45 0.07 0.00 0.02 0.00 0.00 55.36 54.00 1xwg s GLN 54 Cb 0.00 -1.39 -0.02 0.00 1.00 0.00 0.00 33.01 32.59 1xwg s GLN 54 CO 0.00 0.28 0.31 0.14 -2.12 0.00 0.00 175.29 173.90 1xwg s VAL 55 N -2.10 3.57 0.64 1.09 -7.23 -1.26 -4.64 120.40 110.47 1xwg s VAL 55 Ca 0.18 -1.33 -0.18 0.00 -1.81 0.00 0.00 61.98 58.84 1xwg s VAL 55 Cb -0.06 -3.21 -0.02 0.00 0.56 0.00 0.00 36.38 33.66 1xwg s VAL 55 CO 0.07 -0.17 1.15 -0.81 -0.31 0.00 0.00 175.10 175.04 1xwg n PRO 56 N -1.41 0.98 -3.90 4.82 -0.04 -1.26 -4.98 135.00 129.22 1xwg n PRO 56 Ca -0.02 0.39 -0.13 0.00 -0.04 0.00 0.00 63.50 63.70 1xwg n PRO 56 Cb 0.60 -2.38 -0.14 0.00 -0.04 0.00 0.00 33.50 31.53 1xwg n PRO 56 CO 0.00 0.00 0.00 1.41 -0.04 0.00 0.00 175.50 176.87 1xwg s MET 57 N -3.17 0.06 -0.13 0.54 1.75 -0.99 -3.94 119.30 113.43 1xwg s MET 57 Ca 0.80 0.00 0.00 0.00 -1.25 0.00 0.00 55.69 55.25 1xwg s MET 57 Cb -0.39 -0.10 0.02 0.00 2.84 0.00 0.00 34.83 37.20 1xwg s MET 57 CO 0.43 -0.01 -0.12 0.08 -0.65 0.00 0.00 175.02 174.75 1xwg s VAL 58 N 0.16 1.36 -0.34 10.11 1.01 -0.44 -0.06 120.40 132.19 1xwg s VAL 58 Ca -0.01 -0.51 -0.27 0.00 0.00 0.00 0.00 61.98 61.19 1xwg s VAL 58 Cb -0.02 -1.30 0.01 0.00 0.00 0.00 0.00 36.38 35.07 1xwg s VAL 58 CO -0.00 0.42 0.98 -1.61 0.00 0.00 0.00 175.10 174.89 1xwg s GLU 59 N 1.47 3.97 -0.18 2.72 2.02 -0.37 -1.39 118.70 126.94 1xwg s GLU 59 Ca 0.03 0.82 -0.10 0.00 0.02 0.00 0.00 54.97 55.74 1xwg s GLU 59 Cb -0.13 -3.76 0.06 0.00 0.10 0.00 0.00 34.13 30.40 1xwg s GLU 59 CO -0.08 -0.90 0.44 -1.50 0.02 0.00 0.00 175.26 173.25 1xwg s ILE 60 N 3.51 -0.06 -1.61 -1.63 2.07 -0.78 -1.69 121.20 121.01 1xwg s ILE 60 Ca 0.41 0.09 -0.12 0.00 -1.41 0.00 0.00 60.65 59.62 1xwg s ILE 60 Cb -0.12 -0.66 0.10 0.00 0.13 0.00 0.00 42.46 41.91 1xwg s ILE 60 CO 0.16 0.04 0.61 0.47 -1.91 0.00 0.00 174.94 174.31 1xwg n ASP 61 N 4.34 -2.03 0.00 4.50 8.00 -1.26 -1.37 116.55 128.73 1xwg n ASP 61 Ca -0.22 -1.04 0.00 0.00 0.71 0.00 0.00 54.79 54.24 1xwg n ASP 61 Cb 0.55 -2.71 0.00 0.00 -0.02 0.00 0.00 41.12 38.95 1xwg n ASP 61 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xwg n GLY 62 N -1.66 0.87 3.72 0.44 0.00 -1.26 -5.03 105.19 102.28 1xwg n GLY 62 Ca -0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.66 1xwg n GLY 62 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1xwg s MET 63 N -0.26 2.66 -0.79 1.61 -1.94 -0.47 -5.06 119.30 115.04 1xwg s MET 63 Ca 0.00 -0.84 -0.04 0.00 -1.71 0.00 0.00 55.69 53.09 1xwg s MET 63 Cb 0.00 -2.58 0.20 0.00 2.01 0.00 0.00 34.83 34.47 1xwg s MET 63 CO 0.00 0.53 0.67 0.15 -0.01 0.00 0.00 175.02 176.35 1xwg s LYS 64 N -2.53 3.11 -0.18 2.03 1.02 -1.26 -1.86 119.74 120.07 1xwg s LYS 64 Ca 0.28 -2.88 -0.25 0.00 0.02 0.00 0.00 55.97 53.14 1xwg s LYS 64 Cb -0.11 -3.97 -0.01 0.00 -0.52 0.00 0.00 37.83 33.21 1xwg s LYS 64 CO 0.20 -1.23 0.82 -0.51 -0.92 0.00 0.00 175.35 173.71 1xwg s LEU 65 N -0.64 4.16 0.45 3.17 1.43 -0.48 -4.82 118.68 121.94 1xwg s LEU 65 Ca 0.22 1.15 0.07 0.00 -1.03 0.00 0.00 54.13 54.54 1xwg s LEU 65 Cb -0.13 -3.22 -0.02 0.00 0.03 0.00 0.00 46.19 42.86 1xwg s LEU 65 CO -0.08 -0.41 0.31 0.68 0.23 0.00 0.00 176.35 177.08 1xwg s VAL 66 N 2.22 2.29 0.00 -1.59 -7.23 -1.26 -1.33 120.40 113.51 1xwg s VAL 66 Ca 0.37 -1.51 0.00 0.00 -1.81 0.00 0.00 61.98 59.04 1xwg s VAL 66 Cb -0.16 -2.80 0.00 0.00 0.56 0.00 0.00 36.38 33.98 1xwg s VAL 66 CO 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 175.10 174.91 1xwg n GLN 67 N -1.49 -0.25 -0.26 4.82 1.13 -1.25 -4.46 117.38 115.62 1xwg n GLN 67 Ca 0.01 0.66 0.07 0.00 -1.94 0.00 0.00 57.00 55.79 1xwg n GLN 67 Cb 0.63 -0.57 0.20 0.00 0.11 0.00 0.00 30.24 30.61 1xwg n GLN 67 CO 0.00 0.00 0.00 1.49 -1.44 0.00 0.00 177.06 177.11 1xwg h GLU 68 N 0.20 0.20 -0.43 -1.09 4.81 -1.87 -1.39 114.58 115.01 1xwg h GLU 68 Ca 0.00 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.12 1xwg h GLU 68 Cb 0.00 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 1xwg h GLU 68 CO 0.00 0.13 -0.12 0.00 -0.73 0.00 0.00 179.01 178.30 1xwg h ARG 69 N 0.21 0.77 -0.69 1.92 3.08 -1.96 -0.67 114.38 117.03 1xwg h ARG 69 Ca 0.44 -0.26 -0.04 0.00 0.07 0.00 0.00 59.98 60.20 1xwg h ARG 69 Cb 0.80 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.76 1xwg h ARG 69 CO -0.59 0.85 0.29 0.00 -1.07 0.00 0.00 179.97 179.45 1xwg h ALA 70 N 1.18 0.90 0.17 0.04 0.00 -1.53 -1.00 119.26 119.01 1xwg h ALA 70 Ca 0.12 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1xwg h ALA 70 Cb 0.59 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1xwg h ALA 70 CO 0.04 0.51 -0.08 0.82 0.00 0.00 0.00 179.25 180.54 1xwg h ILE 71 N 0.98 0.92 -0.81 0.00 2.04 -0.97 -2.32 117.51 117.36 1xwg h ILE 71 Ca 0.23 -0.38 -0.03 0.00 1.00 0.00 0.00 64.86 65.68 1xwg h ILE 71 Cb 0.20 1.15 -0.04 0.00 -0.74 0.00 0.00 36.82 37.39 1xwg h ILE 71 CO -0.02 0.09 0.40 -0.07 0.00 0.00 0.00 178.15 178.55 1xwg h LEU 72 N -0.41 1.05 -0.66 1.44 3.38 -1.10 -1.88 115.31 117.12 1xwg h LEU 72 Ca -0.02 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 1xwg h LEU 72 Cb 0.32 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 1xwg h LEU 72 CO 0.04 0.88 0.31 0.78 0.09 0.00 0.00 178.44 180.53 1xwg h ASN 73 N 1.14 0.87 0.09 -0.43 2.35 -1.15 0.11 115.58 118.56 1xwg h ASN 73 Ca 0.28 -0.14 -0.00 0.00 -0.55 0.00 0.00 56.30 55.89 1xwg h ASN 73 Cb 0.10 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.24 1xwg h ASN 73 CO -0.04 0.77 -0.05 0.22 -1.65 0.00 0.00 177.43 176.69 1xwg h TYR 74 N 0.92 -0.12 -0.41 1.19 3.20 -1.27 -2.07 116.97 118.41 1xwg h TYR 74 Ca 0.23 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.06 1xwg h TYR 74 Cb 0.13 0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.43 1xwg h TYR 74 CO 0.01 -0.02 0.12 0.82 -1.64 0.00 0.00 178.16 177.44 1xwg h ILE 75 N -0.18 1.22 -0.37 1.81 2.04 -1.13 -1.03 117.51 119.87 1xwg h ILE 75 Ca -0.01 -0.74 0.02 0.00 1.00 0.00 0.00 64.86 65.12 1xwg h ILE 75 Cb 0.15 0.93 -0.03 0.00 -0.74 0.00 0.00 36.82 37.13 1xwg h ILE 75 CO 0.02 0.26 0.20 0.00 0.00 0.00 0.00 178.15 178.63 1xwg h ALA 76 N 0.97 0.46 -0.30 1.87 0.00 -0.80 -1.07 119.26 120.38 1xwg h ALA 76 Ca 0.13 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1xwg h ALA 76 Cb 0.28 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1xwg h ALA 76 CO -0.00 -0.15 0.10 0.77 0.00 0.00 0.00 179.25 179.97 1xwg h SER 77 N 0.41 0.43 -0.97 0.00 0.02 -1.22 0.10 113.55 112.32 1xwg h SER 77 Ca 0.15 -0.19 0.05 0.00 -0.84 0.00 0.00 61.79 60.95 1xwg h SER 77 Cb 0.03 -0.11 -0.06 0.00 0.14 0.00 0.00 62.40 62.40 1xwg h SER 77 CO -0.09 0.51 0.64 0.50 -1.14 0.00 0.00 176.83 177.25 1xwg h LYS 78 N 0.33 1.16 -0.52 3.45 3.64 -0.87 -2.85 116.57 120.91 1xwg h LYS 78 Ca 0.10 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1xwg h LYS 78 Cb 0.22 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 1xwg h LYS 78 CO -0.00 0.77 0.00 0.66 -2.27 0.00 0.00 179.45 178.61 1xwg n TYR 79 N -4.46 1.78 -3.70 1.91 4.01 -0.43 -4.95 117.16 111.31 1xwg n TYR 79 Ca 0.14 -0.75 -0.26 0.00 -0.16 0.00 0.00 57.90 56.87 1xwg n TYR 79 Cb 0.13 -0.44 0.06 0.00 -0.31 0.00 0.00 39.34 38.77 1xwg n TYR 79 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1xwg n ASN 80 N 0.43 -5.77 -0.43 7.72 5.03 -0.97 -4.90 115.26 116.36 1xwg n ASN 80 Ca 0.26 -0.62 0.07 0.00 0.87 0.00 0.00 54.58 55.16 1xwg n ASN 80 Cb 1.10 -4.65 0.16 0.00 -1.02 0.00 0.00 39.78 35.38 1xwg n ASN 80 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1xwg n LEU 81 N -4.89 2.93 -0.90 3.41 4.77 -0.01 -4.64 117.00 117.67 1xwg n LEU 81 Ca 0.01 -2.75 0.01 0.00 -0.03 0.00 0.00 56.01 53.25 1xwg n LEU 81 Cb 0.55 -0.38 0.20 0.00 -2.33 0.00 0.00 43.42 41.46 1xwg n LEU 81 CO 0.69 0.67 0.62 0.00 -1.33 0.00 0.00 177.39 178.03 1xwg n TYR 82 N -0.70 0.74 -0.16 -1.77 4.19 -1.18 -0.42 117.16 117.87 1xwg n TYR 82 Ca 0.15 -1.40 0.02 0.00 3.31 0.00 0.00 57.90 59.98 1xwg n TYR 82 Cb 0.64 -0.38 -0.01 0.00 0.49 0.00 0.00 39.34 40.09 1xwg n TYR 82 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1xwg n GLY 83 N -1.06 -1.73 0.08 2.98 0.00 -1.26 -4.15 105.19 100.05 1xwg n GLY 83 Ca 0.27 -1.47 0.11 0.00 0.00 0.00 0.00 46.02 44.93 1xwg n GLY 83 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1xwg n LYS 84 N -2.13 0.58 -3.84 1.61 2.85 -1.26 -4.89 118.16 111.08 1xwg n LYS 84 Ca -0.00 0.04 -0.09 0.00 -1.05 0.00 0.00 58.31 57.21 1xwg n LYS 84 Cb 0.07 -1.74 0.01 0.00 -0.65 0.00 0.00 35.03 32.73 1xwg n LYS 84 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 177.40 177.51 1xwg s ASP 85 N -5.02 0.06 0.38 -5.58 1.47 -1.26 -5.05 116.67 101.67 1xwg s ASP 85 Ca -0.02 -1.13 0.20 0.00 1.18 0.00 0.00 52.55 52.78 1xwg s ASP 85 Cb 0.11 0.83 0.67 0.00 -0.34 0.00 0.00 42.92 44.19 1xwg s ASP 85 CO 0.82 -1.63 1.73 0.16 0.68 0.00 0.00 175.17 176.92 1xwg h ILE 86 N 2.01 0.80 -0.49 2.11 3.07 -1.94 -1.47 117.51 121.60 1xwg h ILE 86 Ca -0.31 -1.49 -0.13 0.00 1.55 0.00 0.00 64.86 64.48 1xwg h ILE 86 Cb 1.25 1.94 -0.01 0.00 -0.27 0.00 0.00 36.82 39.72 1xwg h ILE 86 CO 0.39 0.34 -0.22 0.11 -1.05 0.00 0.00 178.15 177.73 1xwg h LYS 87 N 0.00 1.00 -0.33 0.16 1.57 -1.99 -1.56 116.57 115.42 1xwg h LYS 87 Ca -0.00 -0.43 -0.09 0.00 -1.87 0.00 0.00 60.65 58.26 1xwg h LYS 87 Cb 0.91 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.17 1xwg h LYS 87 CO 0.05 1.11 -0.18 0.93 -0.57 0.00 0.00 179.45 180.78 1xwg h GLU 88 N 0.86 0.61 -0.50 3.15 5.08 -1.84 -2.63 114.58 119.31 1xwg h GLU 88 Ca 0.11 -0.21 -0.05 0.00 -1.00 0.00 0.00 59.36 58.20 1xwg h GLU 88 Cb 0.80 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.98 1xwg h GLU 88 CO 0.07 0.76 0.09 -0.09 -1.00 0.00 0.00 179.01 178.84 1xwg h ARG 89 N 0.54 0.78 -0.71 2.33 2.43 -1.20 -1.05 114.38 117.50 1xwg h ARG 89 Ca 0.09 -0.17 -0.04 0.00 -0.81 0.00 0.00 59.98 59.05 1xwg h ARG 89 Cb 0.62 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 30.03 1xwg h ARG 89 CO 0.04 0.72 0.29 0.00 -1.51 0.00 0.00 179.97 179.52 1xwg h ALA 90 N 1.36 0.93 -0.29 2.80 0.00 -1.05 0.19 119.26 123.20 1xwg h ALA 90 Ca 0.16 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1xwg h ALA 90 Cb 0.32 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1xwg h ALA 90 CO 0.00 0.54 -0.05 -0.07 0.00 0.00 0.00 179.25 179.67 1xwg h LEU 91 N 1.02 0.55 -0.28 0.00 3.38 -1.10 -1.36 115.31 117.52 1xwg h LEU 91 Ca 0.24 -0.35 0.04 0.00 0.09 0.00 0.00 57.88 57.89 1xwg h LEU 91 Cb 0.20 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 1xwg h LEU 91 CO -0.02 0.78 0.06 0.40 0.09 0.00 0.00 178.44 179.74 1xwg h ILE 92 N 0.32 0.87 -0.59 1.22 2.04 -0.96 -1.68 117.51 118.73 1xwg h ILE 92 Ca 0.08 -0.05 0.01 0.00 1.00 0.00 0.00 64.86 65.89 1xwg h ILE 92 Cb 0.53 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 37.28 1xwg h ILE 92 CO 0.03 0.03 0.39 0.44 0.00 0.00 0.00 178.15 179.03 1xwg h ASP 93 N 0.16 0.67 -0.39 1.72 3.32 -0.52 0.12 116.42 121.50 1xwg h ASP 93 Ca 0.13 -0.02 0.03 0.00 0.02 0.00 0.00 57.03 57.19 1xwg h ASP 93 Cb 0.13 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.48 1xwg h ASP 93 CO -0.17 0.48 0.21 -0.03 -1.72 0.00 0.00 179.24 178.01 1xwg h MET 94 N 0.79 0.41 -0.33 3.56 4.05 -0.96 -1.07 114.93 121.38 1xwg h MET 94 Ca 0.22 -0.02 -0.05 0.00 -0.28 0.00 0.00 59.70 59.57 1xwg h MET 94 Cb -0.08 -0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 30.61 1xwg h MET 94 CO -0.05 0.27 0.02 1.88 0.23 0.00 0.00 176.91 179.26 1xwg h TYR 95 N 0.42 0.61 0.00 1.39 0.05 -0.90 -2.82 116.97 115.73 1xwg h TYR 95 Ca 0.16 -0.10 -0.07 0.00 0.05 0.00 0.00 58.73 58.78 1xwg h TYR 95 Cb 0.05 -0.16 -0.01 0.00 1.01 0.00 0.00 36.73 37.62 1xwg h TYR 95 CO -0.09 0.67 -0.33 -0.84 -1.05 0.00 0.00 178.16 176.51 1xwg h ILE 96 N 0.38 0.66 -0.06 -2.88 3.07 -0.91 -1.78 117.51 116.00 1xwg h ILE 96 Ca 0.10 -1.60 -0.17 0.00 1.55 0.00 0.00 64.86 64.74 1xwg h ILE 96 Cb 0.40 2.07 -0.01 0.00 -0.27 0.00 0.00 36.82 39.02 1xwg h ILE 96 CO 0.01 0.32 -0.69 -0.33 -1.05 0.00 0.00 178.15 176.42 1xwg h GLU 97 N 0.00 0.28 -0.37 0.16 4.39 -1.15 0.13 114.58 118.02 1xwg h GLU 97 Ca -0.00 -0.22 -0.01 0.00 0.34 0.00 0.00 59.36 59.46 1xwg h GLU 97 Cb 1.05 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.72 1xwg h GLU 97 CO 0.04 0.86 0.18 0.78 -1.16 0.00 0.00 179.01 179.72 1xwg h GLY 98 N 1.49 0.57 0.80 -3.84 0.00 -1.18 -1.62 103.07 99.29 1xwg h GLY 98 Ca -0.02 -0.28 0.04 0.00 0.00 0.00 0.00 47.33 47.06 1xwg h GLY 98 CO 0.11 0.27 0.36 -2.22 0.00 0.00 0.00 176.54 175.06 1xwg h ILE 99 N 0.46 1.03 -0.95 2.60 2.04 -1.22 -1.98 117.51 119.50 1xwg h ILE 99 Ca 0.13 -0.24 0.02 0.00 1.00 0.00 0.00 64.86 65.77 1xwg h ILE 99 Cb 0.12 0.28 -0.05 0.00 -0.74 0.00 0.00 36.82 36.42 1xwg h ILE 99 CO -0.02 0.13 0.62 0.00 0.00 0.00 0.00 178.15 178.88 1xwg h ALA 100 N 1.29 1.21 -0.47 1.87 0.00 -0.54 0.30 119.26 122.92 1xwg h ALA 100 Ca 0.26 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1xwg h ALA 100 Cb 0.08 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1xwg h ALA 100 CO -0.13 0.57 0.22 -0.44 0.00 0.00 0.00 179.25 179.47 1xwg h ASP 101 N 1.26 0.62 -0.10 0.00 3.32 -0.73 0.19 116.42 120.98 1xwg h ASP 101 Ca 0.35 -0.14 -0.12 0.00 0.02 0.00 0.00 57.03 57.15 1xwg h ASP 101 Cb -0.11 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.28 1xwg h ASP 101 CO -0.09 0.58 -0.39 0.25 -1.72 0.00 0.00 179.24 177.88 1xwg h LEU 102 N 0.61 0.52 -1.52 1.55 5.85 -0.96 -2.77 115.31 118.60 1xwg h LEU 102 Ca 0.16 -0.62 0.13 0.00 0.84 0.00 0.00 57.88 58.39 1xwg h LEU 102 Cb 0.13 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 40.96 1xwg h LEU 102 CO -0.02 1.05 0.50 1.23 -0.34 0.00 0.00 178.44 180.86 1xwg h GLY 103 N 0.02 0.80 0.89 3.75 0.00 -0.25 -2.00 103.07 106.27 1xwg h GLY 103 Ca -0.02 -0.21 -0.06 0.00 0.00 0.00 0.00 47.33 47.04 1xwg h GLY 103 CO 0.08 0.09 -0.03 -2.09 0.00 0.00 0.00 176.54 174.58 1xwg h GLU 104 N 0.50 0.56 -0.56 4.80 4.57 -0.45 0.47 114.58 124.46 1xwg h GLU 104 Ca 0.37 -0.19 0.04 0.00 -1.18 0.00 0.00 59.36 58.39 1xwg h GLU 104 Cb 0.73 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 29.23 1xwg h GLU 104 CO -0.13 0.72 0.32 0.52 -1.18 0.00 0.00 179.01 179.26 1xwg h MET 105 N 0.34 0.60 -0.41 1.92 2.86 -1.11 -1.55 114.93 117.57 1xwg h MET 105 Ca 0.08 -0.04 -0.08 0.00 -2.06 0.00 0.00 59.70 57.61 1xwg h MET 105 Cb 0.49 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.01 1xwg h MET 105 CO 0.02 0.40 -0.04 0.82 1.06 0.00 0.00 176.91 179.17 1xwg h ILE 106 N 0.62 1.27 -0.71 -1.22 2.04 -1.23 -2.71 117.51 115.56 1xwg h ILE 106 Ca 0.24 -1.10 0.01 0.00 1.00 0.00 0.00 64.86 65.01 1xwg h ILE 106 Cb 0.09 1.15 -0.04 0.00 -0.74 0.00 0.00 36.82 37.28 1xwg h ILE 106 CO -0.13 0.37 0.47 0.25 0.00 0.00 0.00 178.15 179.11 1xwg h LEU 107 N 0.58 0.81 -0.08 1.44 5.85 -0.49 -2.76 115.31 120.66 1xwg h LEU 107 Ca 0.11 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.81 1xwg h LEU 107 Cb 0.55 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.38 1xwg h LEU 107 CO 0.03 0.58 -0.08 0.18 -0.34 0.00 0.00 178.44 178.81 1xwg n LEU 108 N -4.60 0.19 -0.09 2.25 4.77 -0.62 -4.28 117.00 114.62 1xwg n LEU 108 Ca 0.07 0.22 -0.06 0.00 -0.03 0.00 0.00 56.01 56.20 1xwg n LEU 108 Cb 0.03 -0.29 0.01 0.00 -2.33 0.00 0.00 43.42 40.83 1xwg n LEU 108 CO 0.35 0.04 0.83 0.25 -1.33 0.00 0.00 177.39 177.53 1xwg h LEU 109 N 0.18 -0.22 -1.24 2.23 5.85 -1.17 -1.17 115.31 119.78 1xwg h LEU 109 Ca 0.00 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.81 1xwg h LEU 109 Cb 0.37 0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.57 1xwg h LEU 109 CO 0.00 -0.07 0.17 -0.65 -0.34 0.00 0.00 178.44 177.55 1xwg h PRO 110 N 0.05 0.00 -0.24 5.25 0.11 -1.80 -1.21 132.00 134.16 1xwg h PRO 110 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 1xwg h PRO 110 Cb 0.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.34 1xwg h PRO 110 CO -0.31 0.00 0.00 1.33 -0.21 0.00 0.00 178.00 178.81 1xwg n VAL 111 N -2.22 1.18 -1.84 3.15 0.24 -0.48 -5.01 118.33 113.36 1xwg n VAL 111 Ca -0.01 -1.15 -0.41 0.00 -2.04 0.00 0.00 64.34 60.72 1xwg n VAL 111 Cb 0.20 0.38 -0.01 0.00 -1.47 0.00 0.00 33.84 32.94 1xwg n VAL 111 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1xwg n PRO 113 N 1.64 1.21 -0.33 0.00 -0.02 -1.26 -4.82 135.00 131.42 1xwg n PRO 113 Ca 0.05 0.44 0.25 0.00 -2.02 0.00 0.00 63.50 62.22 1xwg n PRO 113 Cb 0.39 -2.12 0.53 0.00 -0.02 0.00 0.00 33.50 32.28 1xwg n PRO 113 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1xwg h PRO 114 N 6.25 0.34 0.00 0.52 0.11 -1.97 0.15 132.00 137.39 1xwg h PRO 114 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1xwg h PRO 114 Cb 1.32 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1xwg h PRO 114 CO 0.89 0.22 0.00 1.05 -0.21 0.00 0.00 178.00 179.95 1xwg h GLU 115 N 0.35 0.00 -0.00 1.05 9.09 -2.03 -2.97 114.58 120.07 1xwg h GLU 115 Ca 0.62 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.03 1xwg h GLU 115 Cb 1.64 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.74 1xwg h GLU 115 CO -0.31 0.00 -0.94 0.39 0.05 0.00 0.00 179.01 178.20 1xwg n GLU 116 N -2.85 0.27 -0.25 1.06 1.02 0.49 -4.72 120.64 115.66 1xwg n GLU 116 Ca 0.01 -0.05 -0.07 0.00 -0.02 0.00 0.00 57.16 57.03 1xwg n GLU 116 Cb 0.29 -1.47 0.05 0.00 -0.02 0.00 0.00 31.44 30.28 1xwg n GLU 116 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1xwg h LYS 117 N 0.13 1.10 -0.22 3.49 1.63 -1.32 -1.49 116.57 119.89 1xwg h LYS 117 Ca 0.00 -0.24 -0.02 0.00 -0.85 0.00 0.00 60.65 59.54 1xwg h LYS 117 Cb 0.50 -0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 31.96 1xwg h LYS 117 CO 0.00 0.94 0.06 -0.44 -3.45 0.00 0.00 179.45 176.56 1xwg h ASP 118 N 1.04 0.33 -0.37 4.20 3.45 -1.84 -0.21 116.42 123.02 1xwg h ASP 118 Ca 0.23 -0.22 -0.02 0.00 0.43 0.00 0.00 57.03 57.44 1xwg h ASP 118 Cb 0.30 -0.09 -0.02 0.00 -0.56 0.00 0.00 39.33 38.97 1xwg h ASP 118 CO -0.01 0.47 0.14 0.00 -1.57 0.00 0.00 179.24 178.27 1xwg h ALA 119 N 0.88 0.48 -0.44 3.45 0.00 -1.86 -2.38 119.26 119.39 1xwg h ALA 119 Ca 0.07 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1xwg h ALA 119 Cb 0.26 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1xwg h ALA 119 CO -0.00 0.10 0.23 -0.22 0.00 0.00 0.00 179.25 179.36 1xwg h LYS 120 N 0.45 0.62 -0.67 0.00 1.63 -1.14 -0.70 116.57 116.76 1xwg h LYS 120 Ca 0.12 -0.08 0.04 0.00 -0.85 0.00 0.00 60.65 59.89 1xwg h LYS 120 Cb 0.21 -0.12 -0.05 0.00 -0.60 0.00 0.00 32.23 31.67 1xwg h LYS 120 CO -0.01 0.50 0.40 1.25 -3.45 0.00 0.00 179.45 178.15 1xwg h LEU 121 N 0.57 0.63 -0.58 5.20 5.85 -0.95 -0.66 115.31 125.38 1xwg h LEU 121 Ca 0.15 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.82 1xwg h LEU 121 Cb 0.07 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 1xwg h LEU 121 CO -0.02 0.43 0.11 0.00 -0.34 0.00 0.00 178.44 178.62 1xwg h ALA 122 N 1.31 0.76 -0.69 1.25 0.00 -1.00 -1.91 119.26 118.99 1xwg h ALA 122 Ca 0.28 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1xwg h ALA 122 Cb 0.09 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1xwg h ALA 122 CO -0.14 0.49 0.19 1.25 0.00 0.00 0.00 179.25 181.05 1xwg h LEU 123 N 0.84 1.01 -0.45 0.00 5.85 -0.81 -1.27 115.31 120.48 1xwg h LEU 123 Ca 0.18 -0.19 -0.04 0.00 0.84 0.00 0.00 57.88 58.67 1xwg h LEU 123 Cb 0.39 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 1xwg h LEU 123 CO 0.01 0.95 0.13 0.40 -0.34 0.00 0.00 178.44 179.59 1xwg h ILE 124 N 1.03 1.22 -0.57 4.05 2.04 -0.90 -1.03 117.51 123.35 1xwg h ILE 124 Ca 0.22 -0.75 -0.05 0.00 1.00 0.00 0.00 64.86 65.28 1xwg h ILE 124 Cb 0.32 0.87 -0.03 0.00 -0.74 0.00 0.00 36.82 37.25 1xwg h ILE 124 CO -0.00 0.27 0.16 0.11 0.00 0.00 0.00 178.15 178.68 1xwg h LYS 125 N 0.58 0.87 -0.69 2.37 1.57 -1.04 -0.83 116.57 119.42 1xwg h LYS 125 Ca 0.14 -0.17 -0.07 0.00 -1.87 0.00 0.00 60.65 58.68 1xwg h LYS 125 Cb 0.28 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.43 1xwg h LYS 125 CO -0.00 0.77 0.14 0.93 -0.57 0.00 0.00 179.45 180.72 1xwg h GLU 126 N 0.85 1.12 -0.54 3.15 4.39 -0.88 -2.03 114.58 120.63 1xwg h GLU 126 Ca 0.19 -0.28 -0.09 0.00 0.34 0.00 0.00 59.36 59.51 1xwg h GLU 126 Cb 0.28 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.77 1xwg h GLU 126 CO -0.00 1.00 -0.03 0.87 -1.16 0.00 0.00 179.01 179.69 1xwg h LYS 127 N 1.05 0.94 0.08 2.33 1.57 -0.82 0.02 116.57 121.75 1xwg h LYS 127 Ca 0.21 -0.29 -0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1xwg h LYS 127 Cb 0.40 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.63 1xwg h LYS 127 CO 0.01 0.95 -0.04 0.82 -0.57 0.00 0.00 179.45 180.62 1xwg h ILE 128 N 0.86 0.97 -0.06 1.86 2.04 -1.01 0.16 117.51 122.34 1xwg h ILE 128 Ca 0.15 -0.18 -0.16 0.00 1.00 0.00 0.00 64.86 65.67 1xwg h ILE 128 Cb 0.55 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.71 1xwg h ILE 128 CO 0.03 0.05 -0.66 0.11 0.00 0.00 0.00 178.15 177.68 1xwg h LYS 129 N -0.20 0.24 0.00 2.37 1.57 -1.24 -0.77 116.57 118.55 1xwg h LYS 129 Ca -0.01 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.59 1xwg h LYS 129 Cb 0.16 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1xwg h LYS 129 CO 0.02 0.81 -1.14 0.09 -0.57 0.00 0.00 179.45 178.66 1xwg n ASN 130 N -3.83 1.53 0.02 0.86 3.02 -0.02 -4.45 115.26 112.40 1xwg n ASN 130 Ca -0.03 -0.32 -0.00 0.00 -0.03 0.00 0.00 54.58 54.20 1xwg n ASN 130 Cb 0.65 1.33 -0.00 0.00 -0.61 0.00 0.00 39.78 41.15 1xwg n ASN 130 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 1xwg n ARG 131 N -1.66 0.02 -0.03 3.52 0.63 0.38 -4.78 116.66 114.75 1xwg n ARG 131 Ca -0.00 0.01 -0.12 0.00 -0.92 0.00 0.00 57.85 56.82 1xwg n ARG 131 Cb 0.26 -0.33 -0.10 0.00 0.45 0.00 0.00 32.46 32.75 1xwg n ARG 131 CO 0.00 0.00 0.00 1.88 -2.51 0.00 0.00 177.63 177.00 1xwg h TYR 132 N -0.04 -0.04 -0.44 -0.14 0.05 -1.08 -2.77 116.97 112.51 1xwg h TYR 132 Ca 0.00 -0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.76 1xwg h TYR 132 Cb 0.04 0.01 -0.02 0.00 1.01 0.00 0.00 36.73 37.78 1xwg h TYR 132 CO -0.02 0.63 0.19 0.74 -1.05 0.00 0.00 178.16 178.65 1xwg h PHE 133 N -0.88 0.65 -1.01 4.88 -1.00 -1.35 -2.21 116.94 116.02 1xwg h PHE 133 Ca -0.00 -0.04 0.09 0.00 2.81 0.00 0.00 57.97 60.83 1xwg h PHE 133 Cb 0.69 -0.20 -0.08 0.00 3.61 0.00 0.00 35.95 39.98 1xwg h PHE 133 CO 0.17 0.54 0.64 -1.35 -1.61 0.00 0.00 178.31 176.71 1xwg h PRO 134 N 0.56 1.06 -0.51 1.51 0.11 -1.75 -0.36 132.00 132.61 1xwg h PRO 134 Ca 0.15 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.20 1xwg h PRO 134 Cb 0.16 -0.24 -0.03 0.00 0.11 0.00 0.00 31.00 31.00 1xwg h PRO 134 CO -0.02 0.70 0.33 0.00 -0.21 0.00 0.00 178.00 178.80 1xwg h ALA 135 N 1.50 0.65 0.01 -0.75 0.00 -1.11 -0.54 119.26 119.02 1xwg h ALA 135 Ca 0.47 -0.04 -0.21 0.00 0.00 0.00 0.00 54.91 55.12 1xwg h ALA 135 Cb 0.33 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1xwg h ALA 135 CO -0.22 0.10 -0.92 0.74 0.00 0.00 0.00 179.25 178.95 1xwg h PHE 136 N 0.69 0.39 -0.78 0.00 0.04 -1.12 -2.62 116.94 113.53 1xwg h PHE 136 Ca 0.19 -0.22 -0.01 0.00 2.80 0.00 0.00 57.97 60.73 1xwg h PHE 136 Cb -0.06 -0.04 -0.04 0.00 2.20 0.00 0.00 35.95 38.01 1xwg h PHE 136 CO -0.04 1.05 0.47 1.49 -0.60 0.00 0.00 178.31 180.68 1xwg h GLU 137 N 0.14 1.07 -0.55 1.51 4.57 -0.88 -1.73 114.58 118.71 1xwg h GLU 137 Ca -0.06 -0.10 0.02 0.00 -1.18 0.00 0.00 59.36 58.04 1xwg h GLU 137 Cb 1.57 -0.22 -0.03 0.00 -0.16 0.00 0.00 28.75 29.90 1xwg h GLU 137 CO 0.15 0.76 0.34 -0.22 -1.18 0.00 0.00 179.01 178.86 1xwg h LYS 138 N 1.07 0.66 -0.40 1.92 3.64 -1.01 0.09 116.57 122.55 1xwg h LYS 138 Ca 0.28 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.60 1xwg h LYS 138 Cb -0.03 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.62 1xwg h LYS 138 CO -0.05 0.44 0.17 0.28 -2.27 0.00 0.00 179.45 178.01 1xwg h VAL 139 N 0.68 1.19 -0.67 2.00 2.07 -1.16 -0.58 116.25 119.78 1xwg h VAL 139 Ca 0.22 -0.57 -0.06 0.00 0.82 0.00 0.00 66.70 67.10 1xwg h VAL 139 Cb -0.01 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 1xwg h VAL 139 CO -0.08 0.21 0.17 -0.07 0.02 0.00 0.00 177.57 177.81 1xwg h LEU 140 N 0.49 0.99 -0.74 2.57 3.38 -1.04 -2.93 115.31 118.04 1xwg h LEU 140 Ca 0.13 -0.20 -0.13 0.00 0.09 0.00 0.00 57.88 57.78 1xwg h LEU 140 Cb 0.17 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1xwg h LEU 140 CO -0.01 0.95 -0.39 0.50 0.09 0.00 0.00 178.44 179.58 1xwg h LYS 141 N 1.00 0.50 -0.44 1.13 3.64 -0.83 -1.47 116.57 120.11 1xwg h LYS 141 Ca 0.21 -0.25 0.09 0.00 -1.27 0.00 0.00 60.65 59.44 1xwg h LYS 141 Cb 0.34 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 32.08 1xwg h LYS 141 CO -0.00 0.81 -0.15 0.66 -2.27 0.00 0.00 179.45 178.50 1xwg h SER 142 N 0.42 -0.53 0.00 4.20 4.64 -0.91 -3.30 113.55 118.06 1xwg h SER 142 Ca 0.04 0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 1xwg h SER 142 Cb 0.87 0.32 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1xwg h SER 142 CO 0.07 -0.18 -1.11 0.00 -0.87 0.00 0.00 176.83 174.74 1xwg n HIS 143 N -5.36 0.00 -1.47 4.77 1.44 -1.21 -5.01 115.22 108.39 1xwg n HIS 143 Ca 0.03 0.00 -0.17 0.00 -2.01 0.00 0.00 57.72 55.57 1xwg n HIS 143 Cb 0.26 -0.15 -0.07 0.00 0.12 0.00 0.00 29.99 30.15 1xwg n HIS 143 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1xwg n GLY 144 N 1.49 1.58 3.93 -1.39 0.00 -0.55 -4.97 105.19 105.29 1xwg n GLY 144 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1xwg n GLY 144 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xwg s GLN 145 N -3.39 3.50 0.54 1.61 -0.21 -1.26 -5.00 119.66 115.46 1xwg s GLN 145 Ca 0.00 -0.22 0.32 0.00 0.02 0.00 0.00 55.36 55.49 1xwg s GLN 145 Cb 0.00 -2.61 1.38 0.00 1.00 0.00 0.00 33.01 32.78 1xwg s GLN 145 CO 0.00 0.09 1.99 -0.44 -2.12 0.00 0.00 175.29 174.81 1xwg h ASP 146 N 0.71 0.00 -2.65 5.90 3.32 -1.94 -3.45 116.42 118.31 1xwg h ASP 146 Ca -0.49 0.00 -0.63 0.00 0.02 0.00 0.00 57.03 55.93 1xwg h ASP 146 Cb 1.21 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 40.61 1xwg h ASP 146 CO 0.62 0.05 -0.78 -0.31 -1.72 0.00 0.00 179.24 177.09 1xwg s TYR 147 N -3.74 2.32 0.15 4.55 2.02 -1.26 -4.94 117.35 116.45 1xwg s TYR 147 Ca 0.00 -0.33 -0.13 0.00 -0.37 0.00 0.00 57.07 56.24 1xwg s TYR 147 Cb 0.10 -1.07 0.04 0.00 -0.40 0.00 0.00 41.96 40.62 1xwg s TYR 147 CO 0.55 0.62 1.65 -0.07 -1.57 0.00 0.00 175.55 176.73 1xwg h LEU 148 N 2.67 0.80 -7.83 -1.29 3.38 -1.87 -3.43 115.31 107.74 1xwg h LEU 148 Ca -0.43 -0.24 -0.42 0.00 0.09 0.00 0.00 57.88 56.87 1xwg h LEU 148 Cb 1.24 -0.21 -0.33 0.00 0.09 0.00 0.00 40.66 41.44 1xwg h LEU 148 CO 0.55 0.84 -0.78 -0.69 0.09 0.00 0.00 178.44 178.44 1xwg s VAL 149 N -5.27 0.67 -0.74 1.22 1.01 -1.26 -4.88 120.40 111.14 1xwg s VAL 149 Ca -0.13 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 61.63 1xwg s VAL 149 Cb 0.12 -0.65 0.00 0.00 0.00 0.00 0.00 36.38 35.85 1xwg s VAL 149 CO 0.80 0.24 0.00 0.61 0.00 0.00 0.00 175.10 176.76 1xwg n GLY 150 N 3.82 0.87 3.48 4.51 0.00 -1.26 -3.23 105.19 113.37 1xwg n GLY 150 Ca -0.23 -0.33 -0.25 0.00 0.00 0.00 0.00 46.02 45.20 1xwg n GLY 150 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1xwg n ASN 151 N -0.06 -4.85 -3.63 1.61 4.05 -1.26 -4.95 115.26 106.17 1xwg n ASN 151 Ca -0.07 -0.50 -0.15 0.00 0.45 0.00 0.00 54.58 54.30 1xwg n ASN 151 Cb 0.33 -3.92 -0.07 0.00 1.23 0.00 0.00 39.78 37.34 1xwg n ASN 151 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 177.26 173.46 1xwg s LYS 152 N -6.16 0.83 0.22 1.20 2.20 -1.20 -4.90 119.74 111.93 1xwg s LYS 152 Ca 0.48 0.42 -0.32 0.00 -0.36 0.00 0.00 55.97 56.19 1xwg s LYS 152 Cb -0.24 0.40 -0.13 0.00 -1.51 0.00 0.00 37.83 36.35 1xwg s LYS 152 CO 0.59 -0.20 1.50 -0.11 -0.36 0.00 0.00 175.35 176.77 1xwg n LEU 153 N 1.76 3.26 -4.20 5.43 7.94 -1.26 -4.60 117.00 125.34 1xwg n LEU 153 Ca -0.17 1.12 -0.14 0.00 -1.11 0.00 0.00 56.01 55.71 1xwg n LEU 153 Cb 0.56 -1.45 -0.09 0.00 0.53 0.00 0.00 43.42 42.98 1xwg n LEU 153 CO 0.16 -0.33 -0.15 -0.94 -1.11 0.00 0.00 177.39 175.03 1xwg s SER 154 N 0.57 0.56 0.54 1.96 1.04 -1.26 -4.76 113.70 112.35 1xwg s SER 154 Ca 0.72 -1.45 0.24 0.00 0.48 0.00 0.00 55.95 55.94 1xwg s SER 154 Cb -0.64 0.46 1.43 0.00 0.10 0.00 0.00 66.02 67.37 1xwg s SER 154 CO 0.45 -0.95 2.07 0.08 0.98 0.00 0.00 173.24 175.86 1xwg h ARG 155 N 2.44 0.00 -0.70 4.02 0.11 -1.12 -1.68 114.38 117.44 1xwg h ARG 155 Ca -0.32 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 59.76 1xwg h ARG 155 Cb 1.24 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.29 1xwg h ARG 155 CO 0.46 0.00 0.42 0.00 0.10 0.00 0.00 179.97 180.95 1xwg h ALA 156 N 1.82 0.90 -0.63 0.08 0.00 -1.90 0.35 119.26 119.87 1xwg h ALA 156 Ca 0.14 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1xwg h ALA 156 Cb 0.59 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1xwg h ALA 156 CO -0.00 0.37 0.32 -0.44 0.00 0.00 0.00 179.25 179.50 1xwg h ASP 157 N 0.96 0.82 -0.23 0.00 3.32 -1.70 -1.72 116.42 117.86 1xwg h ASP 157 Ca 0.25 -0.12 -0.03 0.00 0.02 0.00 0.00 57.03 57.15 1xwg h ASP 157 Cb -0.03 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.31 1xwg h ASP 157 CO -0.05 0.71 0.03 0.40 -1.72 0.00 0.00 179.24 178.60 1xwg h ILE 158 N 0.87 1.24 -0.33 0.35 1.08 -1.38 -1.75 117.51 117.58 1xwg h ILE 158 Ca 0.22 -0.80 -0.12 0.00 -0.39 0.00 0.00 64.86 63.77 1xwg h ILE 158 Cb 0.10 1.31 -0.01 0.00 -3.07 0.00 0.00 36.82 35.15 1xwg h ILE 158 CO -0.03 0.25 -0.28 0.45 -0.69 0.00 0.00 178.15 177.85 1xwg h HIS 159 N 0.18 0.78 -0.26 1.37 3.86 -0.90 -2.29 115.15 117.89 1xwg h HIS 159 Ca 0.07 -0.19 -0.03 0.00 -1.16 0.00 0.00 60.37 59.06 1xwg h HIS 159 Cb 0.35 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 28.63 1xwg h HIS 159 CO 0.02 0.89 0.06 1.25 0.86 0.00 0.00 177.93 181.01 1xwg h LEU 160 N 0.58 0.40 -0.81 2.43 5.85 -1.26 -2.33 115.31 120.16 1xwg h LEU 160 Ca 0.07 -0.23 -0.08 0.00 0.84 0.00 0.00 57.88 58.48 1xwg h LEU 160 Cb 0.78 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.68 1xwg h LEU 160 CO 0.06 0.53 0.02 0.58 -0.34 0.00 0.00 178.44 179.29 1xwg h VAL 161 N 0.25 1.25 -0.30 1.05 2.07 -1.26 0.34 116.25 119.66 1xwg h VAL 161 Ca 0.08 -1.05 0.07 0.00 0.82 0.00 0.00 66.70 66.62 1xwg h VAL 161 Cb 0.29 0.82 -0.07 0.00 -1.52 0.00 0.00 31.29 30.81 1xwg h VAL 161 CO 0.00 0.38 -0.15 -0.08 0.02 0.00 0.00 177.57 177.74 1xwg h GLU 162 N 0.84 -0.10 -0.84 1.57 4.81 -1.38 -1.75 114.58 117.74 1xwg h GLU 162 Ca 0.16 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.42 1xwg h GLU 162 Cb 0.48 0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.83 1xwg h GLU 162 CO 0.02 -0.07 0.55 1.25 -0.73 0.00 0.00 179.01 180.03 1xwg h LEU 163 N -0.10 0.92 -1.52 1.64 5.85 -0.83 -1.93 115.31 119.34 1xwg h LEU 163 Ca 0.15 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.88 1xwg h LEU 163 Cb 0.34 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 1xwg h LEU 163 CO -0.36 0.65 0.34 -0.07 -0.34 0.00 0.00 178.44 178.65 1xwg h LEU 164 N 1.08 0.55 -0.66 2.25 3.38 -0.24 0.19 115.31 121.86 1xwg h LEU 164 Ca 0.32 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 58.19 1xwg h LEU 164 Cb -0.04 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 1xwg h LEU 164 CO -0.10 0.39 0.04 1.88 0.09 0.00 0.00 178.44 180.75 1xwg h TYR 165 N 0.65 1.17 -0.21 1.13 0.05 -0.58 -1.67 116.97 117.51 1xwg h TYR 165 Ca 0.19 -0.18 -0.16 0.00 0.05 0.00 0.00 58.73 58.63 1xwg h TYR 165 Cb -0.02 -0.31 -0.01 0.00 1.01 0.00 0.00 36.73 37.41 1xwg h TYR 165 CO -0.00 1.01 -0.53 1.88 -1.05 0.00 0.00 178.16 179.47 1xwg h TYR 166 N 1.00 0.74 -0.65 4.88 0.05 -0.86 -2.45 116.97 119.67 1xwg h TYR 166 Ca 0.18 -0.25 -0.05 0.00 0.05 0.00 0.00 58.73 58.66 1xwg h TYR 166 Cb 0.51 -0.14 -0.03 0.00 1.01 0.00 0.00 36.73 38.08 1xwg h TYR 166 CO 0.04 0.99 0.19 0.28 -1.05 0.00 0.00 178.16 178.61 1xwg h VAL 167 N 0.46 1.25 -0.94 -2.88 2.07 -0.95 -2.43 116.25 112.83 1xwg h VAL 167 Ca 0.01 -0.88 0.09 0.00 0.82 0.00 0.00 66.70 66.75 1xwg h VAL 167 Cb 1.07 0.58 -0.07 0.00 -1.52 0.00 0.00 31.29 31.35 1xwg h VAL 167 CO 0.10 0.34 0.58 -0.08 0.02 0.00 0.00 177.57 178.53 1xwg h GLU 168 N 0.95 0.96 -0.71 1.57 4.81 -1.15 0.20 114.58 121.21 1xwg h GLU 168 Ca 0.21 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.36 1xwg h GLU 168 Cb 0.31 -0.22 -0.03 0.00 0.63 0.00 0.00 28.75 29.44 1xwg h GLU 168 CO -0.00 0.64 0.34 0.93 -0.73 0.00 0.00 179.01 180.19 1xwg h GLU 169 N 0.99 1.00 -0.03 1.92 5.08 -1.22 -3.08 114.58 119.25 1xwg h GLU 169 Ca 0.44 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.65 1xwg h GLU 169 Cb 0.32 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1xwg h GLU 169 CO -0.22 0.77 -0.06 1.25 -1.00 0.00 0.00 179.01 179.75 1xwg h LEU 170 N 1.00 0.09 -6.00 1.33 5.85 -0.89 -3.46 115.31 113.24 1xwg h LEU 170 Ca 0.25 -0.58 0.15 0.00 0.84 0.00 0.00 57.88 58.53 1xwg h LEU 170 Cb 0.09 -0.03 -0.21 0.00 0.37 0.00 0.00 40.66 40.89 1xwg h LEU 170 CO -0.03 0.66 -0.10 -0.62 -0.34 0.00 0.00 178.44 178.00 1xwg s ASP 171 N -5.91 -0.98 0.25 1.25 -1.08 -0.01 -5.05 116.67 105.15 1xwg s ASP 171 Ca -0.16 0.52 0.23 0.00 -0.52 0.00 0.00 52.55 52.62 1xwg s ASP 171 Cb 0.02 1.78 0.97 0.00 -1.46 0.00 0.00 42.92 44.23 1xwg s ASP 171 CO 0.70 -0.18 1.70 -1.54 0.52 0.00 0.00 175.17 176.37 1xwg n SER 172 N 5.42 0.65 0.14 -0.34 3.41 -1.17 -2.54 113.62 119.19 1xwg n SER 172 Ca -0.02 0.66 0.13 0.00 -0.26 0.00 0.00 58.87 59.38 1xwg n SER 172 Cb 0.53 -0.80 0.35 0.00 -0.26 0.00 0.00 64.21 64.03 1xwg n SER 172 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1xwg h SER 173 N 0.00 0.00 -0.16 4.04 4.64 -1.92 -3.38 113.55 116.78 1xwg h SER 173 Ca 0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 1xwg h SER 173 Cb 0.35 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.43 1xwg h SER 173 CO 0.00 0.00 -0.03 -0.07 -0.87 0.00 0.00 176.83 175.86 1xwg h LEU 174 N 0.00 0.41 -0.00 5.97 3.38 -1.84 -2.16 115.31 121.06 1xwg h LEU 174 Ca 0.00 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1xwg h LEU 174 Cb 0.79 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1xwg h LEU 174 CO 0.00 0.50 -0.08 0.00 0.09 0.00 0.00 178.44 178.95 1xwg n ILE 175 N -4.29 0.00 0.22 1.22 3.06 -1.26 -4.42 119.36 113.89 1xwg n ILE 175 Ca 0.01 -0.00 0.10 0.00 -2.50 0.00 0.00 62.75 60.36 1xwg n ILE 175 Cb 0.25 -0.38 0.66 0.00 0.54 0.00 0.00 39.64 40.70 1xwg n ILE 175 CO 0.00 0.00 0.00 0.77 -2.50 0.00 0.00 176.55 174.82 1xwg h SER 176 N 0.00 0.00 -0.39 9.51 4.64 -1.63 -0.38 113.55 125.30 1xwg h SER 176 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xwg h SER 176 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 1xwg h SER 176 CO 0.00 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 174.76 1xwg n SER 177 N -4.49 2.46 -3.49 4.97 7.64 -1.26 -4.59 113.62 114.86 1xwg n SER 177 Ca -0.01 -2.10 -0.27 0.00 1.01 0.00 0.00 58.87 57.51 1xwg n SER 177 Cb 0.18 -0.34 -0.09 0.00 -1.01 0.00 0.00 64.21 62.95 1xwg n SER 177 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1xwg n PHE 178 N 0.63 2.16 -0.33 1.43 3.72 -0.15 -4.98 117.46 119.94 1xwg n PHE 178 Ca 0.14 -3.97 0.14 0.00 -0.05 0.00 0.00 57.45 53.71 1xwg n PHE 178 Cb 0.43 -0.43 0.33 0.00 -0.94 0.00 0.00 39.48 38.87 1xwg n PHE 178 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1xwg h PRO 179 N 4.63 0.53 -0.10 -1.08 0.13 -1.81 -2.48 132.00 131.83 1xwg h PRO 179 Ca 0.17 -0.03 -0.18 0.00 -0.87 0.00 0.00 66.00 65.09 1xwg h PRO 179 Cb 0.76 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 31.77 1xwg h PRO 179 CO 0.67 0.35 -0.68 -0.07 -0.23 0.00 0.00 178.00 178.04 1xwg h LEU 180 N 0.54 0.48 -0.65 1.56 3.38 -1.94 -1.47 115.31 117.21 1xwg h LEU 180 Ca 0.59 -0.30 -0.05 0.00 0.09 0.00 0.00 57.88 58.20 1xwg h LEU 180 Cb 1.07 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.65 1xwg h LEU 180 CO -0.47 1.03 0.21 -0.07 0.09 0.00 0.00 178.44 179.22 1xwg h LEU 181 N 0.29 0.95 -0.81 1.67 3.38 -1.86 0.04 115.31 118.97 1xwg h LEU 181 Ca -0.02 -0.21 0.03 0.00 0.09 0.00 0.00 57.88 57.77 1xwg h LEU 181 Cb 1.24 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 41.70 1xwg h LEU 181 CO 0.12 0.90 0.52 0.11 0.09 0.00 0.00 178.44 180.18 1xwg h LYS 182 N 0.94 0.99 -0.32 1.13 1.57 -1.24 -0.62 116.57 119.02 1xwg h LYS 182 Ca 0.21 -0.06 -0.15 0.00 -1.87 0.00 0.00 60.65 58.78 1xwg h LYS 182 Cb 0.29 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 1xwg h LYS 182 CO -0.01 0.66 -0.41 0.00 -0.57 0.00 0.00 179.45 179.12 1xwg h ALA 183 N 1.33 0.67 -0.32 3.86 0.00 -1.05 -2.06 119.26 121.70 1xwg h ALA 183 Ca 0.32 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1xwg h ALA 183 Cb -0.01 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1xwg h ALA 183 CO -0.11 0.67 0.11 1.25 0.00 0.00 0.00 179.25 181.17 1xwg h LEU 184 N 0.64 0.45 -0.67 0.00 5.85 -0.74 -1.46 115.31 119.37 1xwg h LEU 184 Ca 0.05 -0.19 0.13 0.00 0.84 0.00 0.00 57.88 58.71 1xwg h LEU 184 Cb 0.97 -0.12 -0.09 0.00 0.37 0.00 0.00 40.66 41.80 1xwg h LEU 184 CO 0.09 0.52 0.20 0.50 -0.34 0.00 0.00 178.44 179.41 1xwg h LYS 185 N 0.36 0.33 -0.30 1.25 3.64 -0.83 -0.20 116.57 120.82 1xwg h LYS 185 Ca 0.10 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.39 1xwg h LYS 185 Cb 0.22 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 1xwg h LYS 185 CO -0.01 0.22 -0.11 1.15 -2.27 0.00 0.00 179.45 178.44 1xwg h THR 186 N 0.34 1.29 -0.11 1.00 2.02 -1.16 -0.18 112.91 116.10 1xwg h THR 186 Ca 0.36 -1.18 -0.02 0.00 0.77 0.00 0.00 66.41 66.35 1xwg h THR 186 Cb 0.54 1.43 -0.00 0.00 -1.74 0.00 0.00 68.15 68.38 1xwg h THR 186 CO -0.40 0.38 0.01 0.03 0.37 0.00 0.00 175.52 175.90 1xwg h ARG 187 N 0.35 0.19 -0.49 6.66 3.08 -0.77 -2.27 114.38 121.13 1xwg h ARG 187 Ca 0.07 -0.06 -0.09 0.00 0.07 0.00 0.00 59.98 59.97 1xwg h ARG 187 Cb 0.61 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.62 1xwg h ARG 187 CO 0.04 0.42 -0.06 0.82 -1.07 0.00 0.00 179.97 180.12 1xwg h ILE 188 N -0.07 1.26 0.00 2.04 1.08 -1.03 -2.42 117.51 118.37 1xwg h ILE 188 Ca 0.03 -1.14 -0.01 0.00 -0.39 0.00 0.00 64.86 63.35 1xwg h ILE 188 Cb 0.33 0.94 -0.00 0.00 -3.07 0.00 0.00 36.82 35.02 1xwg h ILE 188 CO 0.00 0.40 -0.05 0.28 -0.69 0.00 0.00 178.15 178.09 1xwg h SER 189 N 0.79 0.00 0.17 1.72 0.02 -0.88 -2.52 113.55 112.85 1xwg h SER 189 Ca 0.14 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 1xwg h SER 189 Cb 0.56 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.10 1xwg h SER 189 CO 0.03 0.05 -0.30 0.59 -1.14 0.00 0.00 176.83 176.07 1xwg n ASN 190 N -3.35 1.27 -4.74 3.07 3.02 -0.87 -3.32 115.26 110.35 1xwg n ASN 190 Ca -0.02 -1.06 -0.41 0.00 -0.03 0.00 0.00 54.58 53.06 1xwg n ASN 190 Cb 0.20 0.21 -0.02 0.00 -0.61 0.00 0.00 39.78 39.56 1xwg n ASN 190 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1xwg s LEU 191 N -2.48 4.37 0.22 3.41 1.43 -0.95 -4.77 118.68 119.92 1xwg s LEU 191 Ca 0.23 2.73 -0.14 0.00 -1.03 0.00 0.00 54.13 55.92 1xwg s LEU 191 Cb 0.19 -3.62 0.27 0.00 0.03 0.00 0.00 46.19 43.06 1xwg s LEU 191 CO 0.52 -0.77 1.60 -0.65 0.23 0.00 0.00 176.35 177.28 1xwg h PRO 192 N 5.29 -0.03 -0.58 1.29 0.11 -1.90 0.21 132.00 136.39 1xwg h PRO 192 Ca -0.46 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.59 1xwg h PRO 192 Cb 1.22 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 1xwg h PRO 192 CO 0.80 -0.02 0.09 1.79 -0.21 0.00 0.00 178.00 180.45 1xwg h THR 193 N -0.03 1.25 -0.05 -1.15 1.35 -1.87 -1.21 112.91 111.19 1xwg h THR 193 Ca 0.34 -0.97 -0.22 0.00 -0.55 0.00 0.00 66.41 65.01 1xwg h THR 193 Cb 0.56 0.70 0.00 0.00 -1.73 0.00 0.00 68.15 67.69 1xwg h THR 193 CO -0.77 0.36 -0.86 0.58 -0.25 0.00 0.00 175.52 174.58 1xwg h VAL 194 N 0.89 1.36 -0.63 6.82 2.07 -1.62 -2.13 116.25 123.00 1xwg h VAL 194 Ca 0.18 -2.24 -0.07 0.00 0.82 0.00 0.00 66.70 65.39 1xwg h VAL 194 Cb 0.40 2.24 -0.03 0.00 -1.52 0.00 0.00 31.29 32.38 1xwg h VAL 194 CO 0.01 0.68 0.12 0.50 0.02 0.00 0.00 177.57 178.90 1xwg h LYS 195 N 0.32 1.02 -0.53 1.57 3.64 -0.42 0.12 116.57 122.28 1xwg h LYS 195 Ca -0.06 -0.25 -0.09 0.00 -1.27 0.00 0.00 60.65 58.98 1xwg h LYS 195 Cb 1.47 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 33.14 1xwg h LYS 195 CO 0.16 0.93 -0.01 -0.22 -2.27 0.00 0.00 179.45 178.03 1xwg h LYS 196 N 0.96 0.95 -0.20 1.90 3.64 -1.18 -2.52 116.57 120.12 1xwg h LYS 196 Ca 0.20 -0.31 -0.07 0.00 -1.27 0.00 0.00 60.65 59.20 1xwg h LYS 196 Cb 0.39 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 1xwg h LYS 196 CO 0.01 0.97 -0.17 0.35 -2.27 0.00 0.00 179.45 178.33 1xwg h PHE 197 N 0.83 0.37 0.00 1.91 3.57 -0.85 -2.89 116.94 119.88 1xwg h PHE 197 Ca 0.15 -0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 1xwg h PHE 197 Cb 0.55 -0.10 -0.00 0.00 2.79 0.00 0.00 35.95 39.19 1xwg h PHE 197 CO 0.04 0.51 -0.03 -0.07 -2.23 0.00 0.00 178.31 176.53 1xwg h LEU 198 N 0.32 0.00-10.15 0.59 3.38 -0.72 -3.41 115.31 105.31 1xwg h LEU 198 Ca 0.06 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.54 1xwg h LEU 198 Cb 0.50 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.30 1xwg h LEU 198 CO 0.03 0.03 0.38 -1.10 0.09 0.00 0.00 178.44 177.88 1xwg s GLN 199 N -3.21 3.44 0.41 1.13 -0.21 -0.97 -4.98 119.66 115.27 1xwg s GLN 199 Ca 0.07 1.29 -0.24 0.00 0.02 0.00 0.00 55.36 56.50 1xwg s GLN 199 Cb 0.05 -2.04 -0.11 0.00 1.00 0.00 0.00 33.01 31.91 1xwg s GLN 199 CO 0.67 -0.73 0.84 -2.30 -2.12 0.00 0.00 175.29 171.65 1xwg n PRO 200 N -1.68 1.02 0.00 2.91 -0.02 -1.26 -3.04 135.00 132.93 1xwg n PRO 200 Ca 0.09 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 1xwg n PRO 200 Cb 0.53 -1.82 0.00 0.00 -0.02 0.00 0.00 33.50 32.19 1xwg n PRO 200 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xwg n GLY 201 N 1.42 2.04 3.82 -1.23 0.00 -1.26 -5.08 105.19 104.90 1xwg n GLY 201 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 1xwg n GLY 201 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xwg s SER 202 N -1.72 3.05 0.00 1.61 1.04 -1.17 -4.94 113.70 111.57 1xwg s SER 202 Ca 0.00 0.62 0.15 0.00 0.48 0.00 0.00 55.95 57.20 1xwg s SER 202 Cb 0.00 -0.93 0.81 0.00 0.10 0.00 0.00 66.02 66.00 1xwg s SER 202 CO 0.00 -2.80 1.36 -2.65 0.98 0.00 0.00 173.24 170.12 1xwg n PRO 203 N -3.88 0.33 -1.64 4.02 -0.02 -1.26 -4.86 135.00 127.69 1xwg n PRO 203 Ca 0.11 0.08 -0.46 0.00 -2.02 0.00 0.00 63.50 61.21 1xwg n PRO 203 Cb 0.60 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.55 1xwg n PRO 203 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1xwg n ARG 204 N -1.15 1.74 -3.95 -0.52 0.63 -1.26 -4.98 116.66 107.17 1xwg n ARG 204 Ca 0.09 0.62 -0.32 0.00 -0.92 0.00 0.00 57.85 57.32 1xwg n ARG 204 Cb 0.09 -2.20 -0.05 0.00 0.45 0.00 0.00 32.46 30.74 1xwg n ARG 204 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 1xwg s LYS 205 N -0.54 3.33 0.84 -0.14 -0.14 -1.26 -5.03 119.74 116.80 1xwg s LYS 205 Ca 0.68 -0.43 -0.12 0.00 -1.36 0.00 0.00 55.97 54.74 1xwg s LYS 205 Cb -0.71 -3.00 0.10 0.00 -1.68 0.00 0.00 37.83 32.53 1xwg s LYS 205 CO 0.52 0.63 1.12 -1.25 -0.76 0.00 0.00 175.35 175.61 1xwg s PRO 206 N -2.23 1.71 0.55 -1.68 0.04 -1.26 -4.87 135.00 127.27 1xwg s PRO 206 Ca 0.30 0.43 -0.21 0.00 0.04 0.00 0.00 61.00 61.57 1xwg s PRO 206 Cb -0.13 -1.89 -0.05 0.00 0.04 0.00 0.00 34.50 32.47 1xwg s PRO 206 CO 0.23 -1.83 1.24 -2.30 0.04 0.00 0.00 177.00 174.38 1xwg n PRO 207 N -3.54 1.46 -2.26 0.56 -0.02 -1.26 -4.42 135.00 125.53 1xwg n PRO 207 Ca 0.07 0.54 -0.42 0.00 -2.02 0.00 0.00 63.50 61.67 1xwg n PRO 207 Cb 0.58 -2.43 -0.03 0.00 -0.02 0.00 0.00 33.50 31.60 1xwg n PRO 207 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 1xwg s MET 208 N -2.79 4.33 0.46 -0.52 1.75 -1.26 -5.03 119.30 116.24 1xwg s MET 208 Ca 0.72 1.95 0.07 0.00 -1.25 0.00 0.00 55.69 57.18 1xwg s MET 208 Cb -0.43 -3.43 0.08 0.00 2.84 0.00 0.00 34.83 33.89 1xwg s MET 208 CO 0.49 -0.47 0.63 -0.40 -0.65 0.00 0.00 175.02 174.63 1xwg n ASP 209 N 4.65 1.64 0.03 1.11 5.68 -1.26 -4.98 116.55 123.42 1xwg n ASP 209 Ca 0.12 -2.20 -0.01 0.00 -0.50 0.00 0.00 54.79 52.20 1xwg n ASP 209 Cb 0.44 -0.34 0.27 0.00 -1.14 0.00 0.00 41.12 40.35 1xwg n ASP 209 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1xwg h GLU 210 N 0.00 0.44 0.75 0.11 4.39 -2.00 -2.62 114.58 115.66 1xwg h GLU 210 Ca -0.21 -0.13 -0.03 0.00 0.34 0.00 0.00 59.36 59.32 1xwg h GLU 210 Cb 0.98 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.58 1xwg h GLU 210 CO 0.30 0.59 -0.43 -0.22 -1.16 0.00 0.00 179.01 178.09 1xwg h LYS 211 N 0.41 -1.06 -0.67 2.33 3.64 -2.00 -2.53 116.57 116.69 1xwg h LYS 211 Ca 0.07 0.07 0.13 0.00 -1.27 0.00 0.00 60.65 59.65 1xwg h LYS 211 Cb 0.51 0.24 -0.04 0.00 -0.41 0.00 0.00 32.23 32.53 1xwg h LYS 211 CO 0.03 -0.71 0.45 1.03 -2.27 0.00 0.00 179.45 177.98 1xwg h SER 212 N -1.10 0.35 -0.30 4.20 0.87 -1.94 -2.08 113.55 113.55 1xwg h SER 212 Ca -0.10 0.01 -0.06 0.00 -1.23 0.00 0.00 61.79 60.42 1xwg h SER 212 Cb 0.88 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.77 1xwg h SER 212 CO 0.12 0.19 -0.03 0.25 -0.53 0.00 0.00 176.83 176.83 1xwg h LEU 213 N 0.38 0.54 -0.76 2.23 5.85 -1.26 -1.72 115.31 120.57 1xwg h LEU 213 Ca 0.32 -0.34 -0.12 0.00 0.84 0.00 0.00 57.88 58.58 1xwg h LEU 213 Cb 0.73 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 1xwg h LEU 213 CO -0.09 0.75 -0.31 -0.33 -0.34 0.00 0.00 178.44 178.12 1xwg h GLU 214 N 0.32 0.58 -0.96 1.25 3.07 -0.98 -1.85 114.58 116.02 1xwg h GLU 214 Ca 0.08 -0.26 0.06 0.00 -0.50 0.00 0.00 59.36 58.75 1xwg h GLU 214 Cb 0.49 -0.02 -0.06 0.00 -0.84 0.00 0.00 28.75 28.33 1xwg h GLU 214 CO 0.02 0.83 0.62 1.49 -1.40 0.00 0.00 179.01 180.57 1xwg h GLU 215 N 0.50 1.08 -0.50 2.33 4.81 -1.29 -1.06 114.58 120.44 1xwg h GLU 215 Ca 0.06 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 59.15 1xwg h GLU 215 Cb 0.79 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.91 1xwg h GLU 215 CO 0.06 0.71 0.03 0.00 -0.73 0.00 0.00 179.01 179.09 1xwg h ALA 216 N 1.48 0.67 -0.91 2.92 0.00 -0.99 -2.68 119.26 119.75 1xwg h ALA 216 Ca 0.41 -0.27 0.09 0.00 0.00 0.00 0.00 54.91 55.14 1xwg h ALA 216 Cb 0.18 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 17.71 1xwg h ALA 216 CO -0.16 0.45 0.56 0.00 0.00 0.00 0.00 179.25 180.11 1xwg h ARG 217 N 0.73 0.94 -0.22 0.00 3.08 -0.73 -0.78 114.38 117.40 1xwg h ARG 217 Ca 0.15 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.13 1xwg h ARG 217 Cb 0.47 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 1xwg h ARG 217 CO 0.02 0.62 0.08 -0.22 -1.07 0.00 0.00 179.97 179.40 1xwg h LYS 218 N 0.97 0.33 0.06 0.04 3.64 -1.04 -2.12 116.57 118.45 1xwg h LYS 218 Ca 0.42 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.74 1xwg h LYS 218 Cb 0.31 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 1xwg h LYS 218 CO -0.22 0.40 -0.03 0.82 -2.27 0.00 0.00 179.45 178.15 1xwg h ILE 219 N 0.20 0.96 0.00 2.00 2.04 -1.21 -3.29 117.51 118.21 1xwg h ILE 219 Ca 0.07 -1.52 -0.01 0.00 1.00 0.00 0.00 64.86 64.41 1xwg h ILE 219 Cb 0.19 1.74 -0.00 0.00 -0.74 0.00 0.00 36.82 38.01 1xwg h ILE 219 CO -0.00 0.30 -0.02 0.15 0.00 0.00 0.00 178.15 178.57 1xwg h PHE 220 N -0.94 0.00 -4.75 1.37 3.57 -1.28 -3.39 116.94 111.52 1xwg h PHE 220 Ca -0.01 0.00 -0.23 0.00 3.53 0.00 0.00 57.97 61.26 1xwg h PHE 220 Cb 0.55 0.00 0.13 0.00 2.79 0.00 0.00 35.95 39.42 1xwg h PHE 220 CO 0.13 0.02 -0.59 0.54 -2.23 0.00 0.00 178.31 176.18 1xwg n ARG 221 N -3.30 -4.10 0.00 1.11 1.74 -0.83 -5.06 116.66 106.22 1xwg n ARG 221 Ca -0.02 0.64 0.00 0.00 -0.77 0.00 0.00 57.85 57.70 1xwg n ARG 221 Cb 0.15 -4.94 0.00 0.00 -1.02 0.00 0.00 32.46 26.64 1xwg n ARG 221 CO 0.00 0.00 0.00 1.97 -1.52 0.00 0.00 177.63 178.08