#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xwg n GLU 3 N 0.00 2.63 -1.82 0.00 0.28 -1.26 -4.95 120.64 115.52 1xwg n GLU 3 Ca 0.00 0.93 -0.42 0.00 -0.16 0.00 0.00 57.16 57.52 1xwg n GLU 3 Cb 0.00 -2.69 -0.03 0.00 1.43 0.00 0.00 31.44 30.15 1xwg n GLU 3 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 1xwg s LYS 4 N -0.84 4.16 0.36 3.44 1.02 -1.26 -4.75 119.74 121.87 1xwg s LYS 4 Ca 0.62 2.51 -0.27 0.00 0.02 0.00 0.00 55.97 58.85 1xwg s LYS 4 Cb -0.50 -3.09 -0.12 0.00 -0.52 0.00 0.00 37.83 33.60 1xwg s LYS 4 CO 0.52 -0.66 1.26 -2.30 -0.92 0.00 0.00 175.35 173.25 1xwg n PRO 5 N 3.42 2.02 -4.11 -1.68 -0.02 -1.26 -4.76 135.00 128.61 1xwg n PRO 5 Ca 0.13 0.71 -0.33 0.00 -2.02 0.00 0.00 63.50 61.99 1xwg n PRO 5 Cb 0.37 -2.31 -0.16 0.00 -0.02 0.00 0.00 33.50 31.38 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 -1.94 2.94 -0.26 -0.52 2.20 -0.76 -1.21 119.74 120.18 1xwg s LYS 6 Ca 0.57 -0.82 -0.12 0.00 -0.36 0.00 0.00 55.97 55.24 1xwg s LYS 6 Cb -0.56 -2.54 -0.05 0.00 -1.51 0.00 0.00 37.83 33.17 1xwg s LYS 6 CO 0.61 -0.22 0.24 -0.51 -0.36 0.00 0.00 175.35 175.11 1xwg s LEU 7 N 1.30 4.07 -0.29 5.43 1.43 -0.30 -1.17 118.68 129.15 1xwg s LEU 7 Ca 0.05 0.14 -0.10 0.00 -1.03 0.00 0.00 54.13 53.19 1xwg s LEU 7 Cb -0.13 -2.21 -0.03 0.00 0.03 0.00 0.00 46.19 43.85 1xwg s LEU 7 CO -0.13 -0.04 0.15 -1.00 0.23 0.00 0.00 176.35 175.56 1xwg s HIS 8 N 1.56 3.17 0.17 0.29 3.76 0.32 -1.40 115.29 123.15 1xwg s HIS 8 Ca 0.10 -0.30 -0.24 0.00 -0.15 0.00 0.00 55.06 54.47 1xwg s HIS 8 Cb -0.15 -2.34 0.07 0.00 1.11 0.00 0.00 32.58 31.27 1xwg s HIS 8 CO 0.09 -0.34 1.02 -0.47 -0.85 0.00 0.00 174.74 174.19 1xwg s TYR 9 N 1.67 -0.01 0.75 1.40 5.04 -1.19 -2.65 117.35 122.36 1xwg s TYR 9 Ca 0.06 -0.35 -0.15 0.00 -2.44 0.00 0.00 57.07 54.20 1xwg s TYR 9 Cb -0.16 0.67 0.05 0.00 0.35 0.00 0.00 41.96 42.87 1xwg s TYR 9 CO 0.07 -0.86 1.22 -0.06 -1.34 0.00 0.00 175.55 174.57 1xwg s PHE 10 N -2.60 1.96 -1.13 4.97 0.08 -1.26 -0.73 117.98 119.29 1xwg s PHE 10 Ca 0.18 1.61 -0.20 0.00 0.12 0.00 0.00 56.93 58.64 1xwg s PHE 10 Cb -0.02 -3.50 -0.06 0.00 -0.57 0.00 0.00 43.02 38.88 1xwg s PHE 10 CO 0.04 -2.73 1.95 -1.71 -0.10 0.00 0.00 175.22 172.67 1xwg n ASN 11 N -2.85 3.42 -3.57 1.36 5.15 -1.26 -4.79 115.26 112.72 1xwg n ASN 11 Ca 0.14 -2.76 -0.05 0.00 -0.60 0.00 0.00 54.58 51.30 1xwg n ASN 11 Cb 0.50 -1.52 -0.02 0.00 -0.53 0.00 0.00 39.78 38.21 1xwg n ASN 11 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1xwg s ALA 12 N 6.18 -1.96 0.00 5.20 0.00 -1.26 -5.04 121.76 124.88 1xwg s ALA 12 Ca 0.58 1.19 0.00 0.00 0.00 0.00 0.00 51.96 53.72 1xwg s ALA 12 Cb 0.08 0.19 0.00 0.00 0.00 0.00 0.00 23.12 23.39 1xwg s ALA 12 CO 0.08 -0.70 0.86 0.54 0.00 0.00 0.00 175.76 176.53 1xwg n ARG 13 N -0.21 0.00 0.00 0.00 1.74 -1.26 -4.74 116.66 112.19 1xwg n ARG 13 Ca -0.04 0.49 0.00 0.00 -0.77 0.00 0.00 57.85 57.53 1xwg n ARG 13 Cb 0.60 -1.43 0.00 0.00 -1.02 0.00 0.00 32.46 30.62 1xwg n ARG 13 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xwg n GLY 14 N -0.59 2.22 0.64 -0.13 0.00 -1.26 -1.27 105.19 104.79 1xwg n GLY 14 Ca 0.00 0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.17 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 12.23 1.86 0.01 1.61 1.74 -1.26 -3.83 116.66 129.00 1xwg n ARG 15 Ca 0.00 -1.27 0.11 0.00 -0.77 0.00 0.00 57.85 55.92 1xwg n ARG 15 Cb 0.00 -1.44 -0.14 0.00 -1.02 0.00 0.00 32.46 29.86 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 0.51 0.62 -0.33 5.56 1.56 -0.96 -4.64 117.12 119.43 1xwg n MET 16 Ca 0.17 -0.14 0.06 0.00 -0.27 0.00 0.00 57.70 57.51 1xwg n MET 16 Cb 0.39 -1.56 0.25 0.00 2.15 0.00 0.00 33.22 34.45 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 0.97 -0.03 2.12 4.57 -1.29 -2.41 114.58 118.52 1xwg h GLU 17 Ca 0.00 -0.06 -0.10 0.00 -1.18 0.00 0.00 59.36 58.03 1xwg h GLU 17 Cb 0.97 -0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 29.33 1xwg h GLU 17 CO 0.00 0.64 -0.43 0.66 -1.18 0.00 0.00 179.01 178.70 1xwg h SER 18 N 1.00 0.07 -0.34 1.04 4.64 -1.85 -0.95 113.55 117.16 1xwg h SER 18 Ca 0.43 -0.03 -0.09 0.00 -0.47 0.00 0.00 61.79 61.64 1xwg h SER 18 Cb 0.34 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.41 1xwg h SER 18 CO -0.19 0.49 -0.14 0.74 -0.87 0.00 0.00 176.83 176.86 1xwg h THR 19 N 0.05 1.29 -0.15 2.95 2.02 -1.77 -1.51 112.91 115.79 1xwg h THR 19 Ca 0.00 -1.24 0.02 0.00 0.77 0.00 0.00 66.41 65.97 1xwg h THR 19 Cb 0.79 1.37 -0.02 0.00 -1.74 0.00 0.00 68.15 68.54 1xwg h THR 19 CO 0.06 0.40 -0.01 0.03 0.37 0.00 0.00 175.52 176.38 1xwg h ARG 20 N 0.47 0.04 -0.45 6.66 3.08 -0.89 -1.29 114.38 122.00 1xwg h ARG 20 Ca 0.08 -0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.20 1xwg h ARG 20 Cb 0.67 -0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.65 1xwg h ARG 20 CO 0.05 0.03 0.10 -1.49 -1.07 0.00 0.00 179.97 177.58 1xwg h TRP 21 N 0.04 0.16 -0.29 3.04 4.06 -1.08 -0.84 115.95 121.05 1xwg h TRP 21 Ca 0.07 0.03 -0.11 0.00 2.06 0.00 0.00 58.89 60.94 1xwg h TRP 21 Cb 0.09 -0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.24 1xwg h TRP 21 CO -0.16 0.01 -0.24 1.25 -3.56 0.00 0.00 178.44 175.75 1xwg h LEU 22 N 0.24 0.71 -0.40 -4.49 5.85 -0.94 -0.17 115.31 116.11 1xwg h LEU 22 Ca 0.22 -0.45 -0.04 0.00 0.84 0.00 0.00 57.88 58.45 1xwg h LEU 22 Cb 0.28 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 1xwg h LEU 22 CO -0.28 1.01 0.11 -0.07 -0.34 0.00 0.00 178.44 178.87 1xwg h LEU 23 N 0.41 0.59 -0.57 2.25 3.38 -1.24 -1.75 115.31 118.38 1xwg h LEU 23 Ca 0.05 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 1xwg h LEU 23 Cb 0.80 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.36 1xwg h LEU 23 CO 0.06 0.66 0.24 0.00 0.09 0.00 0.00 178.44 179.48 1xwg h ALA 24 N 0.96 0.75 -0.45 1.53 0.00 -1.00 -1.84 119.26 119.21 1xwg h ALA 24 Ca 0.13 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1xwg h ALA 24 Cb 0.28 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1xwg h ALA 24 CO -0.00 0.35 0.30 0.00 0.00 0.00 0.00 179.25 179.90 1xwg h ALA 25 N 1.08 1.69 0.00 0.00 0.00 -0.85 -1.70 119.26 119.48 1xwg h ALA 25 Ca 0.19 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1xwg h ALA 25 Cb 0.19 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1xwg h ALA 25 CO -0.02 0.29 0.00 0.00 0.00 0.00 0.00 179.25 179.52 1xwg n ALA 26 N -2.47 2.27 -1.09 0.00 0.00 -0.67 -4.76 120.51 113.79 1xwg n ALA 26 Ca 0.04 -0.11 -0.02 0.00 0.00 0.00 0.00 53.44 53.35 1xwg n ALA 26 Cb 0.06 -1.42 -0.01 0.00 0.00 0.00 0.00 19.45 18.08 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 1.03 0.50 3.62 0.00 0.00 -0.64 -5.00 105.19 104.70 1xwg n GLY 27 Ca 0.10 -1.01 -0.40 0.00 0.00 0.00 0.00 46.02 44.72 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 -2.06 5.08 0.06 1.61 1.01 -0.73 -5.03 120.40 120.34 1xwg s VAL 28 Ca 0.00 0.86 -0.31 0.00 0.00 0.00 0.00 61.98 62.53 1xwg s VAL 28 Cb 0.00 -3.82 -0.08 0.00 0.00 0.00 0.00 36.38 32.48 1xwg s VAL 28 CO 0.00 0.09 1.69 -1.83 0.00 0.00 0.00 175.10 175.05 1xwg s GLU 29 N 2.27 4.19 0.08 2.72 1.03 -1.26 -4.53 118.70 123.19 1xwg s GLU 29 Ca 0.21 2.36 -0.00 0.00 0.03 0.00 0.00 54.97 57.57 1xwg s GLU 29 Cb -0.16 -3.66 -0.04 0.00 -0.80 0.00 0.00 34.13 29.47 1xwg s GLU 29 CO 0.09 -0.76 -0.03 -0.59 -1.33 0.00 0.00 175.26 172.64 1xwg s PHE 30 N 2.85 0.71 0.25 4.83 -0.12 -1.26 -4.16 117.98 121.09 1xwg s PHE 30 Ca 0.75 -1.04 0.11 0.00 -0.05 0.00 0.00 56.93 56.70 1xwg s PHE 30 Cb -0.40 -0.46 -0.05 0.00 -0.63 0.00 0.00 43.02 41.49 1xwg s PHE 30 CO 0.33 -0.32 -0.15 -1.21 -0.05 0.00 0.00 175.22 173.82 1xwg s GLU 31 N -3.91 1.84 0.07 1.99 2.02 -0.35 -5.01 118.70 115.35 1xwg s GLU 31 Ca 0.12 -1.58 0.08 0.00 0.02 0.00 0.00 54.97 53.60 1xwg s GLU 31 Cb 0.07 -1.92 -0.03 0.00 0.10 0.00 0.00 34.13 32.35 1xwg s GLU 31 CO -0.06 0.36 -0.21 -1.21 0.02 0.00 0.00 175.26 174.16 1xwg s GLU 32 N -3.31 1.29 -0.22 1.61 2.02 -1.26 -1.14 118.70 117.69 1xwg s GLU 32 Ca 0.28 -1.05 -0.01 0.00 0.02 0.00 0.00 54.97 54.22 1xwg s GLU 32 Cb -0.06 -1.48 0.06 0.00 0.10 0.00 0.00 34.13 32.74 1xwg s GLU 32 CO 0.15 0.37 -0.01 0.21 0.02 0.00 0.00 175.26 176.00 1xwg s LYS 33 N -1.49 1.15 0.22 1.61 2.20 -0.49 -4.90 119.74 118.03 1xwg s LYS 33 Ca 0.07 -0.74 -0.29 0.00 -0.36 0.00 0.00 55.97 54.66 1xwg s LYS 33 Cb -0.09 -2.36 -0.09 0.00 -1.51 0.00 0.00 37.83 33.78 1xwg s LYS 33 CO 0.03 -0.63 0.89 -0.06 -0.36 0.00 0.00 175.35 175.22 1xwg s PHE 34 N 1.61 3.97 -0.50 4.03 0.08 -1.26 -3.16 117.98 122.75 1xwg s PHE 34 Ca -0.03 1.84 -0.23 0.00 0.12 0.00 0.00 56.93 58.62 1xwg s PHE 34 Cb -0.18 -2.92 0.04 0.00 -0.57 0.00 0.00 43.02 39.39 1xwg s PHE 34 CO -0.07 0.48 0.83 0.42 -0.10 0.00 0.00 175.22 176.77 1xwg s ILE 35 N -1.17 4.57 -0.37 0.64 1.01 0.10 -4.92 121.20 121.06 1xwg s ILE 35 Ca 0.39 0.23 0.18 0.00 0.00 0.00 0.00 60.65 61.45 1xwg s ILE 35 Cb -0.25 -4.41 -0.24 0.00 0.01 0.00 0.00 42.46 37.57 1xwg s ILE 35 CO 0.30 -0.90 0.54 0.29 0.00 0.00 0.00 174.94 175.17 1xwg n LYS 36 N 6.95 0.86 -4.13 2.79 5.02 -1.26 -4.31 118.16 124.07 1xwg n LYS 36 Ca 0.01 -0.09 -0.09 0.00 -2.02 0.00 0.00 58.31 56.12 1xwg n LYS 36 Cb 0.47 -1.38 -0.10 0.00 -0.02 0.00 0.00 35.03 34.01 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 -3.45 0.47 0.42 4.39 1.04 -1.26 -5.02 113.70 110.29 1xwg s SER 37 Ca -0.01 -1.11 0.14 0.00 0.48 0.00 0.00 55.95 55.45 1xwg s SER 37 Cb 0.12 0.24 1.00 0.00 0.10 0.00 0.00 66.02 67.48 1xwg s SER 37 CO 0.73 -0.66 1.93 0.00 0.98 0.00 0.00 173.24 176.23 1xwg h ALA 38 N 2.97 2.04 -0.40 5.32 0.00 -1.96 -2.47 119.26 124.76 1xwg h ALA 38 Ca -0.35 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.45 1xwg h ALA 38 Cb 1.17 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1xwg h ALA 38 CO 0.62 -0.22 -0.20 0.93 0.00 0.00 0.00 179.25 180.38 1xwg h GLU 39 N 0.46 0.77 -0.43 0.00 3.07 -1.98 -0.50 114.58 115.96 1xwg h GLU 39 Ca 0.35 -0.30 -0.03 0.00 -0.50 0.00 0.00 59.36 58.88 1xwg h GLU 39 Cb 0.72 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.57 1xwg h GLU 39 CO -0.11 0.91 0.15 -0.44 -1.40 0.00 0.00 179.01 178.11 1xwg h ASP 40 N 0.68 0.63 -0.60 1.42 3.32 -1.85 -1.80 116.42 118.22 1xwg h ASP 40 Ca 0.10 -0.20 -0.09 0.00 0.02 0.00 0.00 57.03 56.86 1xwg h ASP 40 Cb 0.71 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.07 1xwg h ASP 40 CO 0.05 0.65 0.01 0.25 -1.72 0.00 0.00 179.24 178.49 1xwg h LEU 41 N 0.56 1.02 -1.05 1.55 5.85 -1.43 -2.65 115.31 119.17 1xwg h LEU 41 Ca 0.14 -0.30 -0.06 0.00 0.84 0.00 0.00 57.88 58.51 1xwg h LEU 41 Cb 0.25 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 1xwg h LEU 41 CO -0.01 1.07 0.08 0.44 -0.34 0.00 0.00 178.44 179.68 1xwg h ASP 42 N 0.94 0.71 -0.31 1.25 5.19 -0.89 -1.79 116.42 121.52 1xwg h ASP 42 Ca 0.17 -0.14 -0.09 0.00 -0.62 0.00 0.00 57.03 56.35 1xwg h ASP 42 Cb 0.54 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 39.85 1xwg h ASP 42 CO 0.03 0.73 -0.17 0.50 -3.12 0.00 0.00 179.24 177.22 1xwg h LYS 43 N 0.73 0.66 -0.81 3.56 3.64 -1.08 0.44 116.57 123.70 1xwg h LYS 43 Ca 0.16 -0.29 -0.01 0.00 -1.27 0.00 0.00 60.65 59.23 1xwg h LYS 43 Cb 0.33 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.10 1xwg h LYS 43 CO 0.01 0.89 0.46 -0.07 -2.27 0.00 0.00 179.45 178.46 1xwg h LEU 44 N 0.42 0.99 0.07 5.20 3.38 -1.22 -1.70 115.31 122.44 1xwg h LEU 44 Ca 0.07 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1xwg h LEU 44 Cb 0.70 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1xwg h LEU 44 CO 0.05 0.79 -0.03 0.03 0.09 0.00 0.00 178.44 179.36 1xwg h ARG 45 N 1.11 -0.09 -0.47 1.13 3.08 -1.06 -2.59 114.38 115.49 1xwg h ARG 45 Ca 0.29 0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.30 1xwg h ARG 45 Cb 0.00 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 1xwg h ARG 45 CO -0.05 0.14 0.13 -0.91 -1.07 0.00 0.00 179.97 178.22 1xwg h ASN 46 N -0.32 0.64 0.42 7.04 2.35 -0.82 -2.60 115.58 122.29 1xwg h ASN 46 Ca -0.01 -0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.64 1xwg h ASN 46 Cb 0.28 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.48 1xwg h ASN 46 CO 0.02 0.63 -0.09 0.47 -1.65 0.00 0.00 177.43 176.80 1xwg n ASP 47 N -4.31 0.36 0.00 5.81 10.43 -0.65 -4.91 116.55 123.27 1xwg n ASP 47 Ca 0.03 -0.46 0.00 0.00 2.57 0.00 0.00 54.79 56.93 1xwg n ASP 47 Cb 0.20 -0.12 0.00 0.00 1.84 0.00 0.00 41.12 43.04 1xwg n ASP 47 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1xwg n GLY 48 N 1.29 0.88 0.24 0.44 0.00 -0.98 -4.97 105.19 102.09 1xwg n GLY 48 Ca 0.14 -0.03 0.13 0.00 0.00 0.00 0.00 46.02 46.26 1xwg n GLY 48 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1xwg n TYR 49 N -2.23 0.00 -3.95 1.61 0.53 -0.99 -4.68 117.16 107.45 1xwg n TYR 49 Ca 0.00 0.00 -0.33 0.00 -1.02 0.00 0.00 57.90 56.55 1xwg n TYR 49 Cb 0.00 -0.12 -0.14 0.00 -1.03 0.00 0.00 39.34 38.05 1xwg n TYR 49 CO 0.00 0.00 0.00 -0.51 -1.02 0.00 0.00 176.86 175.33 1xwg s LEU 50 N -2.53 4.71 0.27 7.72 1.43 -1.26 -4.85 118.68 124.17 1xwg s LEU 50 Ca 0.23 -1.99 0.00 0.00 -1.03 0.00 0.00 54.13 51.34 1xwg s LEU 50 Cb 0.19 -1.68 0.56 0.00 0.03 0.00 0.00 46.19 45.29 1xwg s LEU 50 CO 0.53 -0.40 1.79 -0.03 0.23 0.00 0.00 176.35 178.48 1xwg h MET 51 N 7.76 0.74 -0.30 1.70 1.85 -1.86 -2.06 114.93 122.77 1xwg h MET 51 Ca -0.09 -0.04 -0.11 0.00 -0.61 0.00 0.00 59.70 58.85 1xwg h MET 51 Cb 1.03 -0.17 -0.07 0.00 0.43 0.00 0.00 31.60 32.83 1xwg h MET 51 CO 0.56 0.49 -0.05 1.19 -0.40 0.00 0.00 176.91 178.71 1xwg n PHE 52 N -4.77 0.96 -1.42 1.39 3.72 -1.26 -4.97 117.46 111.12 1xwg n PHE 52 Ca 0.18 -1.33 -0.14 0.00 -0.05 0.00 0.00 57.45 56.11 1xwg n PHE 52 Cb 0.42 -0.41 -0.06 0.00 -0.94 0.00 0.00 39.48 38.49 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 -0.95 -1.09 -4.17 -1.08 1.13 -0.78 -4.99 117.38 105.46 1xwg n GLN 53 Ca 0.28 1.00 -0.17 0.00 -1.94 0.00 0.00 57.00 56.16 1xwg n GLN 53 Cb 0.96 -5.14 -0.12 0.00 0.11 0.00 0.00 30.24 26.05 1xwg n GLN 53 CO 0.00 0.00 0.00 1.14 -1.44 0.00 0.00 177.06 176.76 1xwg s GLN 54 N -3.18 0.81 0.26 -1.09 -2.07 -1.26 -4.95 119.66 108.17 1xwg s GLN 54 Ca 0.00 -0.98 0.06 0.00 -1.82 0.00 0.00 55.36 52.62 1xwg s GLN 54 Cb 0.00 -0.76 -0.03 0.00 -1.09 0.00 0.00 33.01 31.14 1xwg s GLN 54 CO 0.00 0.16 0.35 0.14 -1.32 0.00 0.00 175.29 174.62 1xwg s VAL 55 N -1.46 4.92 0.54 3.63 -7.23 -1.26 -4.62 120.40 114.92 1xwg s VAL 55 Ca -0.01 -1.06 -0.20 0.00 -1.81 0.00 0.00 61.98 58.89 1xwg s VAL 55 Cb -0.09 -3.71 -0.05 0.00 0.56 0.00 0.00 36.38 33.09 1xwg s VAL 55 CO 0.02 -0.30 1.20 -2.16 -0.31 0.00 0.00 175.10 173.55 1xwg s PRO 56 N -3.99 3.29 -0.03 4.82 0.04 -1.26 -4.99 135.00 132.88 1xwg s PRO 56 Ca 0.36 1.82 0.02 0.00 0.04 0.00 0.00 61.00 63.24 1xwg s PRO 56 Cb -0.09 -2.12 0.01 0.00 0.04 0.00 0.00 34.50 32.34 1xwg s PRO 56 CO 0.29 -0.95 -0.07 1.41 0.04 0.00 0.00 177.00 177.72 1xwg s MET 57 N -3.09 0.82 -0.14 4.56 1.75 -1.08 -3.83 119.30 118.29 1xwg s MET 57 Ca 0.72 -0.23 0.01 0.00 -1.25 0.00 0.00 55.69 54.94 1xwg s MET 57 Cb -0.30 -0.79 0.02 0.00 2.84 0.00 0.00 34.83 36.60 1xwg s MET 57 CO 0.34 0.07 -0.18 0.08 -0.65 0.00 0.00 175.02 174.68 1xwg s VAL 58 N 0.31 1.81 -0.41 10.11 1.01 0.27 -0.53 120.40 132.97 1xwg s VAL 58 Ca -0.04 -0.81 -0.29 0.00 0.00 0.00 0.00 61.98 60.84 1xwg s VAL 58 Cb -0.09 -1.64 0.02 0.00 0.00 0.00 0.00 36.38 34.68 1xwg s VAL 58 CO 0.00 0.50 1.10 -1.61 0.00 0.00 0.00 175.10 175.09 1xwg s GLU 59 N 1.11 3.85 -0.16 2.72 2.02 -0.32 -1.09 118.70 126.84 1xwg s GLU 59 Ca -0.02 0.75 -0.10 0.00 0.02 0.00 0.00 54.97 55.62 1xwg s GLU 59 Cb -0.14 -3.84 0.05 0.00 0.10 0.00 0.00 34.13 30.30 1xwg s GLU 59 CO -0.06 -1.18 0.39 -1.50 0.02 0.00 0.00 175.26 172.93 1xwg s ILE 60 N 4.10 -0.02 -1.50 -1.63 2.07 -0.91 -1.82 121.20 121.48 1xwg s ILE 60 Ca 0.46 0.07 -0.06 0.00 -1.41 0.00 0.00 60.65 59.72 1xwg s ILE 60 Cb -0.09 -0.57 0.05 0.00 0.13 0.00 0.00 42.46 41.97 1xwg s ILE 60 CO 0.25 0.03 0.53 0.47 -1.91 0.00 0.00 174.94 174.30 1xwg n ASP 61 N 3.84 -1.27 0.00 4.50 8.00 -1.26 -1.12 116.55 129.25 1xwg n ASP 61 Ca -0.20 -1.01 0.00 0.00 0.71 0.00 0.00 54.79 54.29 1xwg n ASP 61 Cb 0.56 -2.95 0.00 0.00 -0.02 0.00 0.00 41.12 38.70 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 -1.84 1.08 3.94 0.44 0.00 -1.26 -5.01 105.19 102.54 1xwg n GLY 62 Ca -0.19 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.20 3.46 -0.73 1.61 -1.94 -0.27 -5.05 119.30 116.18 1xwg s MET 63 Ca 0.00 -0.55 -0.03 0.00 -1.71 0.00 0.00 55.69 53.40 1xwg s MET 63 Cb 0.00 -2.90 0.19 0.00 2.01 0.00 0.00 34.83 34.12 1xwg s MET 63 CO 0.00 0.45 0.58 0.15 -0.01 0.00 0.00 175.02 176.20 1xwg s LYS 64 N -3.45 2.89 -0.19 2.03 -0.14 -1.26 -2.14 119.74 117.47 1xwg s LYS 64 Ca 0.36 -2.79 -0.23 0.00 -1.36 0.00 0.00 55.97 51.94 1xwg s LYS 64 Cb -0.11 -3.86 -0.02 0.00 -1.68 0.00 0.00 37.83 32.17 1xwg s LYS 64 CO 0.29 -1.22 0.73 -0.51 -0.76 0.00 0.00 175.35 173.89 1xwg s LEU 65 N -0.51 4.14 0.44 3.17 1.43 -0.25 -4.81 118.68 122.29 1xwg s LEU 65 Ca 0.21 0.99 0.07 0.00 -1.03 0.00 0.00 54.13 54.36 1xwg s LEU 65 Cb -0.15 -3.06 -0.03 0.00 0.03 0.00 0.00 46.19 42.98 1xwg s LEU 65 CO -0.07 -0.36 0.23 0.68 0.23 0.00 0.00 176.35 177.06 1xwg s VAL 66 N 2.15 2.18 0.00 -1.59 -7.23 -1.26 -0.56 120.40 114.09 1xwg s VAL 66 Ca 0.33 -1.64 0.00 0.00 -1.81 0.00 0.00 61.98 58.86 1xwg s VAL 66 Cb -0.16 -2.82 0.00 0.00 0.56 0.00 0.00 36.38 33.96 1xwg s VAL 66 CO 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 175.10 174.90 1xwg n GLN 67 N -1.36 -1.10 -0.29 4.82 1.13 -1.25 -4.52 117.38 114.82 1xwg n GLN 67 Ca -0.02 1.19 0.09 0.00 -1.94 0.00 0.00 57.00 56.33 1xwg n GLN 67 Cb 0.64 -1.39 0.22 0.00 0.11 0.00 0.00 30.24 29.82 1xwg n GLN 67 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 1xwg h GLU 68 N 0.90 0.12 -0.20 -1.09 5.08 -1.87 -0.47 114.58 117.04 1xwg h GLU 68 Ca 0.00 -0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.23 1xwg h GLU 68 Cb 0.00 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1xwg h GLU 68 CO 0.00 0.08 -0.39 0.00 -1.00 0.00 0.00 179.01 177.70 1xwg h ARG 69 N 0.12 0.45 -0.29 2.33 3.08 -1.96 -1.19 114.38 116.93 1xwg h ARG 69 Ca 0.49 -0.22 -0.06 0.00 0.07 0.00 0.00 59.98 60.26 1xwg h ARG 69 Cb 0.93 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.96 1xwg h ARG 69 CO -0.71 0.77 -0.04 0.00 -1.07 0.00 0.00 179.97 178.92 1xwg h ALA 70 N 1.21 0.39 -0.16 0.04 0.00 -1.36 -2.16 119.26 117.22 1xwg h ALA 70 Ca 0.04 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 54.73 1xwg h ALA 70 Cb 0.85 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 1xwg h ALA 70 CO 0.07 0.18 -0.08 0.82 0.00 0.00 0.00 179.25 180.23 1xwg h ILE 71 N 0.30 0.74 -0.46 0.00 2.04 -1.27 -2.21 117.51 116.66 1xwg h ILE 71 Ca 0.08 0.00 -0.12 0.00 1.00 0.00 0.00 64.86 65.81 1xwg h ILE 71 Cb 0.50 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 1xwg h ILE 71 CO 0.02 0.00 -0.19 -0.07 0.00 0.00 0.00 178.15 177.91 1xwg h LEU 72 N -0.07 0.96 -0.68 1.44 3.38 -1.24 -1.26 115.31 117.85 1xwg h LEU 72 Ca 0.09 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 1xwg h LEU 72 Cb 0.20 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 1xwg h LEU 72 CO -0.21 1.14 0.40 0.78 0.09 0.00 0.00 178.44 180.64 1xwg h ASN 73 N 0.78 0.83 0.07 -0.43 2.35 -1.33 -0.28 115.58 117.58 1xwg h ASN 73 Ca 0.11 -0.07 -0.00 0.00 -0.55 0.00 0.00 56.30 55.78 1xwg h ASN 73 Cb 0.76 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.92 1xwg h ASN 73 CO 0.06 0.66 -0.04 0.22 -1.65 0.00 0.00 177.43 176.69 1xwg h TYR 74 N 0.93 -0.09 -0.68 1.19 3.20 -1.14 -2.42 116.97 117.96 1xwg h TYR 74 Ca 0.24 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.18 1xwg h TYR 74 Cb -0.00 0.03 -0.06 0.00 1.54 0.00 0.00 36.73 38.24 1xwg h TYR 74 CO -0.01 0.30 0.37 0.82 -1.64 0.00 0.00 178.16 177.99 1xwg h ILE 75 N -0.50 0.94 -0.62 1.81 2.04 -1.15 -0.45 117.51 119.58 1xwg h ILE 75 Ca -0.01 -0.23 -0.03 0.00 1.00 0.00 0.00 64.86 65.59 1xwg h ILE 75 Cb 0.43 0.21 -0.03 0.00 -0.74 0.00 0.00 36.82 36.69 1xwg h ILE 75 CO 0.02 0.12 0.28 0.00 0.00 0.00 0.00 178.15 178.57 1xwg h ALA 76 N 1.37 0.80 -0.38 1.87 0.00 -1.02 -1.88 119.26 120.02 1xwg h ALA 76 Ca 0.31 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 1xwg h ALA 76 Cb 0.23 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1xwg h ALA 76 CO -0.20 0.38 -0.07 0.77 0.00 0.00 0.00 179.25 180.13 1xwg h SER 77 N 0.85 0.72 -0.59 0.00 0.02 -1.10 0.27 113.55 113.74 1xwg h SER 77 Ca 0.21 -0.35 -0.03 0.00 -0.84 0.00 0.00 61.79 60.78 1xwg h SER 77 Cb 0.15 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.47 1xwg h SER 77 CO -0.02 0.91 0.25 0.50 -1.14 0.00 0.00 176.83 177.32 1xwg h LYS 78 N 0.53 0.90 -0.43 3.45 3.64 -0.81 -2.77 116.57 121.09 1xwg h LYS 78 Ca 0.10 -0.14 -0.04 0.00 -1.27 0.00 0.00 60.65 59.30 1xwg h LYS 78 Cb 0.58 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.21 1xwg h LYS 78 CO 0.03 0.73 0.03 0.66 -2.27 0.00 0.00 179.45 178.64 1xwg n TYR 79 N -4.32 1.52 -3.56 1.91 4.01 -0.73 -4.96 117.16 111.03 1xwg n TYR 79 Ca 0.05 -0.91 -0.23 0.00 -0.16 0.00 0.00 57.90 56.65 1xwg n TYR 79 Cb 0.17 -0.44 0.08 0.00 -0.31 0.00 0.00 39.34 38.84 1xwg n TYR 79 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1xwg n ASN 80 N -0.13 -6.04 -0.74 7.72 5.15 -0.93 -4.90 115.26 115.39 1xwg n ASN 80 Ca 0.27 -0.53 0.07 0.00 -0.60 0.00 0.00 54.58 53.78 1xwg n ASN 80 Cb 1.07 -4.94 0.22 0.00 -0.53 0.00 0.00 39.78 35.60 1xwg n ASN 80 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1xwg n LEU 81 N -4.86 3.55 -0.79 1.20 4.77 0.92 -4.64 117.00 117.15 1xwg n LEU 81 Ca -0.01 -3.18 0.05 0.00 -0.03 0.00 0.00 56.01 52.85 1xwg n LEU 81 Cb 0.57 -0.53 0.17 0.00 -2.33 0.00 0.00 43.42 41.29 1xwg n LEU 81 CO 0.63 0.79 0.30 0.00 -1.33 0.00 0.00 177.39 177.78 1xwg n TYR 82 N -0.84 0.03 -3.86 -1.77 4.19 -1.16 -0.84 117.16 112.91 1xwg n TYR 82 Ca 0.22 -1.32 0.01 0.00 3.31 0.00 0.00 57.90 60.12 1xwg n TYR 82 Cb 0.86 -0.23 -0.00 0.00 0.49 0.00 0.00 39.34 40.45 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 -0.81 -1.79 0.00 2.98 0.00 -1.26 -4.30 105.19 100.01 1xwg n GLY 83 Ca 0.17 -1.31 0.02 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.79 5.65 -3.94 1.61 2.85 -1.26 -4.96 118.16 117.33 1xwg n LYS 84 Ca 0.00 -0.01 -0.10 0.00 -1.05 0.00 0.00 58.31 57.15 1xwg n LYS 84 Cb 0.02 -0.69 -0.02 0.00 -0.65 0.00 0.00 35.03 33.70 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 -1.37 0.19 0.27 -5.58 1.47 -1.26 -5.05 116.67 105.35 1xwg s ASP 85 Ca 0.02 -1.11 -0.00 0.00 1.18 0.00 0.00 52.55 52.64 1xwg s ASP 85 Cb 0.03 0.72 0.54 0.00 -0.34 0.00 0.00 42.92 43.88 1xwg s ASP 85 CO 0.16 -1.41 1.79 -0.29 0.68 0.00 0.00 175.17 176.11 1xwg h ILE 86 N 2.09 0.80 -0.12 2.11 2.10 -1.97 -1.32 117.51 121.20 1xwg h ILE 86 Ca -0.28 -0.26 -0.17 0.00 1.08 0.00 0.00 64.86 65.23 1xwg h ILE 86 Cb 1.25 -0.03 -0.01 0.00 -1.09 0.00 0.00 36.82 36.94 1xwg h ILE 86 CO 0.36 0.14 -0.64 0.11 -1.08 0.00 0.00 178.15 177.04 1xwg h LYS 87 N 0.77 0.45 -0.50 2.19 1.57 -1.99 -1.10 116.57 117.95 1xwg h LYS 87 Ca 0.48 -0.32 -0.12 0.00 -1.87 0.00 0.00 60.65 58.81 1xwg h LYS 87 Cb 0.60 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.95 1xwg h LYS 87 CO -0.32 0.94 -0.17 0.93 -0.57 0.00 0.00 179.45 180.26 1xwg h GLU 88 N 0.33 0.99 -0.74 3.15 5.08 -1.80 -2.47 114.58 119.12 1xwg h GLU 88 Ca -0.01 -0.39 -0.00 0.00 -1.00 0.00 0.00 59.36 57.95 1xwg h GLU 88 Cb 1.19 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 30.35 1xwg h GLU 88 CO 0.11 1.07 0.46 0.00 -1.00 0.00 0.00 179.01 179.66 1xwg h ARG 89 N 0.87 0.99 -0.49 2.33 3.08 -1.15 -0.52 114.38 119.50 1xwg h ARG 89 Ca 0.12 -0.08 0.03 0.00 0.07 0.00 0.00 59.98 60.13 1xwg h ARG 89 Cb 0.74 -0.21 -0.04 0.00 0.08 0.00 0.00 29.97 30.53 1xwg h ARG 89 CO 0.06 0.68 0.27 0.00 -1.07 0.00 0.00 179.97 179.91 1xwg h ALA 90 N 1.50 0.62 -0.04 0.04 0.00 -0.91 0.19 119.26 120.66 1xwg h ALA 90 Ca 0.27 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 1xwg h ALA 90 Cb -0.07 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1xwg h ALA 90 CO -0.05 -0.05 0.01 -0.07 0.00 0.00 0.00 179.25 179.08 1xwg h LEU 91 N 0.54 0.06 -0.61 0.00 3.38 -1.18 -1.27 115.31 116.23 1xwg h LEU 91 Ca 0.20 -0.26 0.10 0.00 0.09 0.00 0.00 57.88 58.02 1xwg h LEU 91 Cb 0.07 -0.02 -0.08 0.00 0.09 0.00 0.00 40.66 40.72 1xwg h LEU 91 CO -0.12 0.31 0.18 0.40 0.09 0.00 0.00 178.44 179.30 1xwg h ILE 92 N -0.18 0.70 -0.52 1.22 2.04 -1.05 -0.67 117.51 119.05 1xwg h ILE 92 Ca 0.01 -0.11 -0.11 0.00 1.00 0.00 0.00 64.86 65.65 1xwg h ILE 92 Cb 0.27 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 36.67 1xwg h ILE 92 CO 0.00 0.06 -0.10 0.44 0.00 0.00 0.00 178.15 178.55 1xwg h ASP 93 N 0.33 0.96 -0.13 1.72 3.32 -0.49 0.75 116.42 122.90 1xwg h ASP 93 Ca 0.31 -0.31 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1xwg h ASP 93 Cb 0.43 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 1xwg h ASP 93 CO -0.35 1.08 0.08 -0.03 -1.72 0.00 0.00 179.24 178.30 1xwg h MET 94 N 0.86 0.17 -0.17 3.56 4.05 -0.80 -0.89 114.93 121.72 1xwg h MET 94 Ca 0.14 -0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.54 1xwg h MET 94 Cb 0.65 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.40 1xwg h MET 94 CO 0.05 0.13 0.08 1.88 0.23 0.00 0.00 176.91 179.27 1xwg h TYR 95 N 0.17 0.24 0.00 1.39 0.05 -0.77 -2.74 116.97 115.30 1xwg h TYR 95 Ca 0.05 -0.01 -0.07 0.00 0.05 0.00 0.00 58.73 58.74 1xwg h TYR 95 Cb -0.01 -0.07 -0.01 0.00 1.01 0.00 0.00 36.73 37.65 1xwg h TYR 95 CO -0.07 0.26 -0.35 -0.84 -1.05 0.00 0.00 178.16 176.11 1xwg h ILE 96 N 0.15 0.71 -0.12 -2.88 3.07 -0.72 -1.99 117.51 115.73 1xwg h ILE 96 Ca 0.06 -1.64 -0.17 0.00 1.55 0.00 0.00 64.86 64.67 1xwg h ILE 96 Cb 0.11 2.08 -0.01 0.00 -0.27 0.00 0.00 36.82 38.73 1xwg h ILE 96 CO -0.01 0.35 -0.62 -0.33 -1.05 0.00 0.00 178.15 176.49 1xwg h GLU 97 N 0.00 0.43 -0.33 0.16 4.39 -1.14 0.15 114.58 118.24 1xwg h GLU 97 Ca -0.00 -0.30 -0.01 0.00 0.34 0.00 0.00 59.36 59.38 1xwg h GLU 97 Cb 1.05 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.73 1xwg h GLU 97 CO 0.05 0.92 0.16 0.78 -1.16 0.00 0.00 179.01 179.76 1xwg h GLY 98 N 1.22 0.50 0.85 -3.84 0.00 -1.21 -1.18 103.07 99.41 1xwg h GLY 98 Ca -0.01 -0.24 0.03 0.00 0.00 0.00 0.00 47.33 47.11 1xwg h GLY 98 CO 0.11 0.23 0.42 -2.22 0.00 0.00 0.00 176.54 175.09 1xwg h ILE 99 N 0.39 1.08 -0.34 2.60 2.04 -1.15 -2.26 117.51 119.88 1xwg h ILE 99 Ca 0.11 -0.28 -0.09 0.00 1.00 0.00 0.00 64.86 65.60 1xwg h ILE 99 Cb 0.11 0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 36.36 1xwg h ILE 99 CO -0.01 0.15 -0.16 0.00 0.00 0.00 0.00 178.15 178.13 1xwg h ALA 100 N 1.30 1.10 -0.28 1.87 0.00 -0.48 0.10 119.26 122.88 1xwg h ALA 100 Ca 0.28 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1xwg h ALA 100 Cb 0.03 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1xwg h ALA 100 CO -0.11 0.56 0.10 -0.44 0.00 0.00 0.00 179.25 179.35 1xwg h ASP 101 N 0.55 0.39 -0.24 0.00 3.32 -0.81 0.12 116.42 119.74 1xwg h ASP 101 Ca 0.09 -0.18 -0.02 0.00 0.02 0.00 0.00 57.03 56.94 1xwg h ASP 101 Cb 0.58 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.02 1xwg h ASP 101 CO 0.04 0.46 0.08 0.25 -1.72 0.00 0.00 179.24 178.35 1xwg h LEU 102 N 0.29 0.35 -1.06 1.55 5.85 -1.29 -2.89 115.31 118.11 1xwg h LEU 102 Ca 0.09 -0.20 0.09 0.00 0.84 0.00 0.00 57.88 58.70 1xwg h LEU 102 Cb 0.20 -0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.07 1xwg h LEU 102 CO -0.01 0.46 0.63 1.23 -0.34 0.00 0.00 178.44 180.41 1xwg h GLY 103 N 0.22 1.51 1.26 3.75 0.00 -0.66 -1.80 103.07 107.36 1xwg h GLY 103 Ca 0.08 -0.43 -0.11 0.00 0.00 0.00 0.00 47.33 46.87 1xwg h GLY 103 CO -0.00 0.24 -0.14 -2.09 0.00 0.00 0.00 176.54 174.55 1xwg h GLU 104 N 1.03 0.86 -0.40 4.80 4.57 -0.63 0.59 114.58 125.41 1xwg h GLU 104 Ca 0.45 -0.31 0.01 0.00 -1.18 0.00 0.00 59.36 58.33 1xwg h GLU 104 Cb 0.35 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.86 1xwg h GLU 104 CO -0.21 0.95 0.25 0.52 -1.18 0.00 0.00 179.01 179.34 1xwg h MET 105 N 0.77 0.50 -0.39 1.92 2.86 -1.14 -2.10 114.93 117.35 1xwg h MET 105 Ca 0.12 -0.03 -0.11 0.00 -2.06 0.00 0.00 59.70 57.62 1xwg h MET 105 Cb 0.65 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.19 1xwg h MET 105 CO 0.05 0.33 -0.19 0.82 1.06 0.00 0.00 176.91 178.97 1xwg h ILE 106 N 0.51 1.28 -0.99 -1.22 2.04 -1.22 -2.32 117.51 115.59 1xwg h ILE 106 Ca 0.15 -1.33 0.15 0.00 1.00 0.00 0.00 64.86 64.83 1xwg h ILE 106 Cb -0.03 1.30 -0.09 0.00 -0.74 0.00 0.00 36.82 37.25 1xwg h ILE 106 CO -0.05 0.44 0.61 0.25 0.00 0.00 0.00 178.15 179.40 1xwg h LEU 107 N 0.63 0.85 0.00 1.44 5.85 -0.73 -2.82 115.31 120.52 1xwg h LEU 107 Ca 0.09 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.88 1xwg h LEU 107 Cb 0.75 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.69 1xwg h LEU 107 CO 0.06 0.39 -0.90 0.18 -0.34 0.00 0.00 178.44 177.83 1xwg n LEU 108 N -4.70 0.63 -0.30 2.25 4.77 -0.80 -4.45 117.00 114.40 1xwg n LEU 108 Ca 0.21 -0.03 0.13 0.00 -0.03 0.00 0.00 56.01 56.28 1xwg n LEU 108 Cb 0.45 -0.12 0.30 0.00 -2.33 0.00 0.00 43.42 41.71 1xwg n LEU 108 CO 0.24 0.06 1.02 0.25 -1.33 0.00 0.00 177.39 177.64 1xwg h LEU 109 N 0.00 0.25 -0.74 2.23 5.85 -1.15 -2.42 115.31 119.32 1xwg h LEU 109 Ca 0.00 0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 1xwg h LEU 109 Cb 0.67 0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.83 1xwg h LEU 109 CO 0.00 -0.03 0.42 -0.65 -0.34 0.00 0.00 178.44 177.84 1xwg h PRO 110 N 0.35 1.03 -0.64 5.25 0.11 -1.78 -2.95 132.00 133.37 1xwg h PRO 110 Ca 0.55 -0.11 0.00 0.00 0.11 0.00 0.00 66.00 66.55 1xwg h PRO 110 Cb 1.05 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 31.96 1xwg h PRO 110 CO -0.55 0.75 0.00 1.33 -0.21 0.00 0.00 178.00 179.32 1xwg n VAL 111 N -4.47 0.90 -2.04 3.15 0.24 -0.92 -4.84 118.33 110.34 1xwg n VAL 111 Ca 0.07 -0.53 -0.35 0.00 -2.04 0.00 0.00 64.34 61.49 1xwg n VAL 111 Cb 0.08 -0.19 0.02 0.00 -1.47 0.00 0.00 33.84 32.29 1xwg n VAL 111 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1xwg s PRO 113 N -3.53 4.37 0.59 0.00 0.02 -1.26 -4.90 135.00 130.29 1xwg s PRO 113 Ca 0.72 2.19 0.29 0.00 0.02 0.00 0.00 61.00 64.22 1xwg s PRO 113 Cb -0.24 -3.08 1.58 0.00 0.02 0.00 0.00 34.50 32.77 1xwg s PRO 113 CO 0.33 -0.17 2.01 -1.35 -0.33 0.00 0.00 177.00 177.48 1xwg h PRO 114 N 3.55 0.00 0.00 5.54 0.11 -1.96 -1.87 132.00 137.37 1xwg h PRO 114 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1xwg h PRO 114 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1xwg h PRO 114 CO 0.66 0.00 -0.71 0.93 -0.21 0.00 0.00 178.00 178.67 1xwg h GLU 115 N 0.00 0.00 0.00 1.05 3.07 -2.05 -3.21 114.58 113.45 1xwg h GLU 115 Ca 0.14 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.99 1xwg h GLU 115 Cb 0.79 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.70 1xwg h GLU 115 CO -0.00 0.00 -1.31 0.39 -1.40 0.00 0.00 179.01 176.69 1xwg n GLU 116 N -2.19 0.62 0.16 2.33 1.02 -0.76 -4.72 120.64 117.10 1xwg n GLU 116 Ca 0.03 0.03 0.01 0.00 -0.02 0.00 0.00 57.16 57.21 1xwg n GLU 116 Cb 0.46 -1.74 0.31 0.00 -0.02 0.00 0.00 31.44 30.45 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 0.00 0.06 0.00 3.49 3.11 -1.40 -1.66 116.57 120.17 1xwg h LYS 117 Ca -0.01 -0.02 -0.20 0.00 -2.81 0.00 0.00 60.65 57.61 1xwg h LYS 117 Cb 1.02 -0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 32.22 1xwg h LYS 117 CO 0.00 0.45 -0.94 -0.44 -2.81 0.00 0.00 179.45 175.71 1xwg h ASP 118 N 0.05 0.00 0.33 4.20 5.19 -1.84 -2.71 116.42 121.64 1xwg h ASP 118 Ca 0.00 -0.00 -0.21 0.00 -0.62 0.00 0.00 57.03 56.20 1xwg h ASP 118 Cb 0.72 -0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.23 1xwg h ASP 118 CO 0.05 0.94 -0.87 0.00 -3.12 0.00 0.00 179.24 176.25 1xwg h ALA 119 N 1.06 0.45 -0.44 3.45 0.00 -1.75 -2.76 119.26 119.27 1xwg h ALA 119 Ca -0.01 -0.68 -0.13 0.00 0.00 0.00 0.00 54.91 54.09 1xwg h ALA 119 Cb 1.66 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.40 1xwg h ALA 119 CO 0.12 0.81 -0.25 -0.22 0.00 0.00 0.00 179.25 179.71 1xwg h LYS 120 N 0.23 0.94 -0.15 0.00 3.64 -1.35 -1.99 116.57 117.89 1xwg h LYS 120 Ca -0.06 -0.43 0.04 0.00 -1.27 0.00 0.00 60.65 58.93 1xwg h LYS 120 Cb 1.48 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 33.25 1xwg h LYS 120 CO 0.15 1.09 -0.07 1.25 -2.27 0.00 0.00 179.45 179.60 1xwg h LEU 121 N 0.77 -0.24 -1.00 5.20 5.85 -1.53 -1.19 115.31 123.17 1xwg h LEU 121 Ca 0.09 0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.89 1xwg h LEU 121 Cb 0.83 0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.94 1xwg h LEU 121 CO 0.07 -0.10 0.66 0.00 -0.34 0.00 0.00 178.44 178.74 1xwg h ALA 122 N 1.08 1.29 -0.41 1.25 0.00 -1.31 -1.36 119.26 119.81 1xwg h ALA 122 Ca 0.08 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 1xwg h ALA 122 Cb 0.18 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1xwg h ALA 122 CO -0.19 0.63 -0.21 1.25 0.00 0.00 0.00 179.25 180.73 1xwg h LEU 123 N 1.33 0.82 -0.58 0.00 5.85 -1.16 -2.44 115.31 119.13 1xwg h LEU 123 Ca 0.38 -0.29 0.02 0.00 0.84 0.00 0.00 57.88 58.83 1xwg h LEU 123 Cb -0.11 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 40.66 1xwg h LEU 123 CO -0.09 1.01 0.36 0.40 -0.34 0.00 0.00 178.44 179.77 1xwg h ILE 124 N 0.70 1.07 -0.32 4.05 2.04 -0.49 -1.81 117.51 122.75 1xwg h ILE 124 Ca 0.10 -0.24 -0.09 0.00 1.00 0.00 0.00 64.86 65.63 1xwg h ILE 124 Cb 0.73 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 37.10 1xwg h ILE 124 CO 0.06 0.13 -0.18 0.11 0.00 0.00 0.00 178.15 178.27 1xwg h LYS 125 N 0.70 0.59 -0.26 2.37 1.57 -1.09 -0.08 116.57 120.36 1xwg h LYS 125 Ca 0.23 -0.20 -0.16 0.00 -1.87 0.00 0.00 60.65 58.65 1xwg h LYS 125 Cb 0.01 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 1xwg h LYS 125 CO -0.10 0.74 -0.48 1.49 -0.57 0.00 0.00 179.45 180.53 1xwg h GLU 126 N 0.53 0.70 -0.28 3.15 4.22 -1.31 -1.78 114.58 119.81 1xwg h GLU 126 Ca 0.09 -0.40 -0.13 0.00 0.08 0.00 0.00 59.36 58.99 1xwg h GLU 126 Cb 0.60 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 1xwg h GLU 126 CO 0.04 1.02 -0.37 0.87 -2.18 0.00 0.00 179.01 178.39 1xwg h LYS 127 N 0.56 0.64 0.09 1.92 1.57 -0.97 0.65 116.57 121.03 1xwg h LYS 127 Ca 0.03 -0.31 -0.00 0.00 -1.87 0.00 0.00 60.65 58.49 1xwg h LYS 127 Cb 1.03 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.34 1xwg h LYS 127 CO 0.10 0.91 -0.04 0.82 -0.57 0.00 0.00 179.45 180.67 1xwg h ILE 128 N 0.54 0.99 -0.23 1.86 2.04 -0.92 0.73 117.51 122.52 1xwg h ILE 128 Ca 0.05 -0.31 -0.12 0.00 1.00 0.00 0.00 64.86 65.48 1xwg h ILE 128 Cb 0.88 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 38.14 1xwg h ILE 128 CO 0.08 0.08 -0.38 0.11 0.00 0.00 0.00 178.15 178.03 1xwg h LYS 129 N -0.27 0.52 0.00 2.37 1.57 -1.30 -1.17 116.57 118.29 1xwg h LYS 129 Ca -0.01 -0.25 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 1xwg h LYS 129 Cb 0.22 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.53 1xwg h LYS 129 CO 0.02 0.82 -1.61 0.09 -0.57 0.00 0.00 179.45 178.20 1xwg n ASN 130 N -4.04 1.42 0.03 0.86 3.02 0.22 -4.48 115.26 112.28 1xwg n ASN 130 Ca -0.01 -0.08 0.00 0.00 -0.03 0.00 0.00 54.58 54.45 1xwg n ASN 130 Cb 0.50 1.64 0.00 0.00 -0.61 0.00 0.00 39.78 41.30 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 -1.97 0.00 -0.09 3.52 0.63 0.13 -4.79 116.66 114.09 1xwg n ARG 131 Ca -0.02 0.00 -0.18 0.00 -0.92 0.00 0.00 57.85 56.73 1xwg n ARG 131 Cb 0.38 -0.47 -0.12 0.00 0.45 0.00 0.00 32.46 32.70 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 0.00 0.00 -0.63 -0.14 0.05 -1.31 -3.03 116.97 111.91 1xwg h TYR 132 Ca 0.00 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.70 1xwg h TYR 132 Cb 0.49 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.21 1xwg h TYR 132 CO 0.00 1.25 0.08 0.74 -1.05 0.00 0.00 178.16 179.17 1xwg h PHE 133 N -1.00 1.13 -0.82 4.88 -1.00 -1.43 -2.06 116.94 116.64 1xwg h PHE 133 Ca -0.18 -0.17 0.05 0.00 2.81 0.00 0.00 57.97 60.48 1xwg h PHE 133 Cb 1.15 -0.31 -0.06 0.00 3.61 0.00 0.00 35.95 40.35 1xwg h PHE 133 CO 0.18 0.97 0.51 -1.35 -1.61 0.00 0.00 178.31 177.01 1xwg h PRO 134 N 0.96 0.93 -0.53 1.51 0.11 -1.76 -1.20 132.00 132.03 1xwg h PRO 134 Ca 0.19 -0.06 0.02 0.00 0.11 0.00 0.00 66.00 66.26 1xwg h PRO 134 Cb 0.46 -0.21 -0.03 0.00 0.11 0.00 0.00 31.00 31.33 1xwg h PRO 134 CO 0.02 0.62 0.33 0.00 -0.21 0.00 0.00 178.00 178.75 1xwg h ALA 135 N 1.37 0.67 0.03 -0.75 0.00 -1.29 -0.94 119.26 118.35 1xwg h ALA 135 Ca 0.34 -0.02 -0.25 0.00 0.00 0.00 0.00 54.91 54.99 1xwg h ALA 135 Cb 0.10 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 17.72 1xwg h ALA 135 CO -0.15 0.06 -1.02 0.74 0.00 0.00 0.00 179.25 178.88 1xwg h PHE 136 N 0.67 0.71 -0.83 0.00 0.04 -1.25 -2.71 116.94 113.57 1xwg h PHE 136 Ca 0.20 -0.41 0.07 0.00 2.80 0.00 0.00 57.97 60.64 1xwg h PHE 136 Cb -0.02 -0.07 -0.06 0.00 2.20 0.00 0.00 35.95 37.99 1xwg h PHE 136 CO -0.05 1.24 0.50 1.49 -0.60 0.00 0.00 178.31 180.89 1xwg h GLU 137 N 0.25 0.86 -0.66 1.51 4.57 -1.17 -1.54 114.58 118.40 1xwg h GLU 137 Ca -0.10 -0.05 -0.04 0.00 -1.18 0.00 0.00 59.36 57.98 1xwg h GLU 137 Cb 1.67 -0.19 -0.03 0.00 -0.16 0.00 0.00 28.75 30.04 1xwg h GLU 137 CO 0.18 0.57 0.25 -0.22 -1.18 0.00 0.00 179.01 178.61 1xwg h LYS 138 N 0.88 0.99 -0.12 1.92 3.64 -1.11 0.20 116.57 122.97 1xwg h LYS 138 Ca 0.38 -0.19 -0.00 0.00 -1.27 0.00 0.00 60.65 59.57 1xwg h LYS 138 Cb 0.24 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 1xwg h LYS 138 CO -0.20 0.84 0.07 0.28 -2.27 0.00 0.00 179.45 178.16 1xwg h VAL 139 N 0.94 1.10 -0.50 2.00 2.07 -1.17 -0.19 116.25 120.49 1xwg h VAL 139 Ca 0.22 -0.27 -0.05 0.00 0.82 0.00 0.00 66.70 67.42 1xwg h VAL 139 Cb 0.22 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 1xwg h VAL 139 CO -0.02 0.09 0.10 -0.07 0.02 0.00 0.00 177.57 177.69 1xwg h LEU 140 N 0.10 0.72 -1.02 2.57 3.38 -1.07 -2.60 115.31 117.39 1xwg h LEU 140 Ca 0.04 -0.13 -0.10 0.00 0.09 0.00 0.00 57.88 57.78 1xwg h LEU 140 Cb 0.08 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1xwg h LEU 140 CO -0.01 0.73 -0.43 0.50 0.09 0.00 0.00 178.44 179.32 1xwg h LYS 141 N 0.75 0.12 -0.54 1.13 3.64 -0.31 -1.28 116.57 120.08 1xwg h LYS 141 Ca 0.16 -0.06 -0.08 0.00 -1.27 0.00 0.00 60.65 59.40 1xwg h LYS 141 Cb 0.30 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.10 1xwg h LYS 141 CO 0.00 0.53 0.00 0.66 -2.27 0.00 0.00 179.45 178.38 1xwg h SER 142 N 0.10 0.89 0.00 4.20 4.64 -0.62 -3.25 113.55 119.51 1xwg h SER 142 Ca 0.01 -0.23 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 1xwg h SER 142 Cb 0.81 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 1xwg h SER 142 CO 0.06 0.95 -0.67 0.00 -0.87 0.00 0.00 176.83 176.30 1xwg n HIS 143 N -4.19 0.00 -1.17 4.77 1.44 -1.22 -5.02 115.22 109.82 1xwg n HIS 143 Ca 0.03 0.00 -0.06 0.00 -2.01 0.00 0.00 57.72 55.68 1xwg n HIS 143 Cb 0.32 -0.06 -0.03 0.00 0.12 0.00 0.00 29.99 30.35 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 1.48 0.65 3.97 -1.39 0.00 -0.48 -4.97 105.19 104.45 1xwg n GLY 144 Ca 0.00 -0.08 -0.21 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.23 2.88 0.42 1.61 -0.21 -1.26 -5.00 119.66 115.86 1xwg s GLN 145 Ca 0.00 -0.71 0.28 0.00 0.02 0.00 0.00 55.36 54.96 1xwg s GLN 145 Cb 0.00 -2.58 0.99 0.00 1.00 0.00 0.00 33.01 32.42 1xwg s GLN 145 CO 0.00 -0.38 1.82 -0.44 -2.12 0.00 0.00 175.29 174.17 1xwg h ASP 146 N 0.36 0.00 -3.14 5.90 3.32 -1.94 -3.45 116.42 117.48 1xwg h ASP 146 Ca -0.44 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 56.00 1xwg h ASP 146 Cb 1.27 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.64 1xwg h ASP 146 CO 0.54 0.00 -0.80 -0.31 -1.72 0.00 0.00 179.24 176.95 1xwg s TYR 147 N -3.42 2.16 0.22 4.55 2.02 -1.26 -4.96 117.35 116.66 1xwg s TYR 147 Ca 0.04 -0.39 -0.09 0.00 -0.37 0.00 0.00 57.07 56.27 1xwg s TYR 147 Cb 0.09 -1.05 0.18 0.00 -0.40 0.00 0.00 41.96 40.77 1xwg s TYR 147 CO 0.54 0.49 1.85 -0.07 -1.57 0.00 0.00 175.55 176.79 1xwg h LEU 148 N 3.06 1.01 -7.70 -1.29 3.38 -1.86 -3.42 115.31 108.49 1xwg h LEU 148 Ca -0.44 -0.08 -0.33 0.00 0.09 0.00 0.00 57.88 57.12 1xwg h LEU 148 Cb 1.22 -0.26 -0.32 0.00 0.09 0.00 0.00 40.66 41.39 1xwg h LEU 148 CO 0.51 0.80 -0.75 -0.69 0.09 0.00 0.00 178.44 178.40 1xwg s VAL 149 N -5.92 0.24 -0.50 1.22 1.01 -1.26 -4.89 120.40 110.30 1xwg s VAL 149 Ca -0.13 -0.01 0.00 0.00 0.00 0.00 0.00 61.98 61.84 1xwg s VAL 149 Cb 0.16 -0.28 0.00 0.00 0.00 0.00 0.00 36.38 36.26 1xwg s VAL 149 CO 0.81 0.13 0.00 0.61 0.00 0.00 0.00 175.10 176.65 1xwg n GLY 150 N 3.73 0.60 2.90 4.51 0.00 -1.26 -2.98 105.19 112.68 1xwg n GLY 150 Ca -0.22 -0.11 -0.20 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.57 -4.68 -3.77 1.61 4.05 -1.26 -4.96 115.26 105.69 1xwg n ASN 151 Ca -0.05 -0.15 -0.13 0.00 0.45 0.00 0.00 54.58 54.71 1xwg n ASN 151 Cb 0.39 -3.87 -0.11 0.00 1.23 0.00 0.00 39.78 37.42 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 -5.54 0.33 0.02 1.20 2.20 -1.16 -4.89 119.74 111.91 1xwg s LYS 152 Ca 0.21 0.42 -0.38 0.00 -0.36 0.00 0.00 55.97 55.86 1xwg s LYS 152 Cb -0.11 0.14 -0.18 0.00 -1.51 0.00 0.00 37.83 36.17 1xwg s LYS 152 CO 0.26 -0.05 1.29 -0.11 -0.36 0.00 0.00 175.35 176.38 1xwg n LEU 153 N 3.06 1.16 -4.31 5.43 7.94 -1.26 -4.58 117.00 124.44 1xwg n LEU 153 Ca -0.14 1.13 -0.18 0.00 -1.11 0.00 0.00 56.01 55.71 1xwg n LEU 153 Cb 0.58 -1.09 -0.09 0.00 0.53 0.00 0.00 43.42 43.34 1xwg n LEU 153 CO 0.16 -1.28 -0.20 -0.94 -1.11 0.00 0.00 177.39 174.02 1xwg s SER 154 N 0.59 1.32 0.55 1.96 1.04 -1.26 -4.76 113.70 113.14 1xwg s SER 154 Ca 0.88 -1.53 0.26 0.00 0.48 0.00 0.00 55.95 56.04 1xwg s SER 154 Cb -1.08 0.37 1.47 0.00 0.10 0.00 0.00 66.02 66.88 1xwg s SER 154 CO 0.52 -0.87 2.02 0.08 0.98 0.00 0.00 173.24 175.97 1xwg h ARG 155 N 2.28 0.00 -0.57 4.02 0.11 -1.37 -2.21 114.38 116.63 1xwg h ARG 155 Ca -0.34 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 59.64 1xwg h ARG 155 Cb 1.25 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.31 1xwg h ARG 155 CO 0.52 0.00 -0.04 0.00 0.10 0.00 0.00 179.97 180.55 1xwg h ALA 156 N 1.72 0.78 -0.55 0.08 0.00 -1.91 0.55 119.26 119.93 1xwg h ALA 156 Ca 0.18 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1xwg h ALA 156 Cb 0.83 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1xwg h ALA 156 CO -0.00 0.65 0.25 -0.44 0.00 0.00 0.00 179.25 179.70 1xwg h ASP 157 N 0.93 0.74 -0.00 0.00 3.32 -1.80 -1.60 116.42 117.99 1xwg h ASP 157 Ca 0.16 -0.14 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 1xwg h ASP 157 Cb 0.60 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.96 1xwg h ASP 157 CO 0.04 0.67 0.00 0.40 -1.72 0.00 0.00 179.24 178.63 1xwg h ILE 158 N 0.75 1.14 -0.79 0.35 1.08 -1.31 -1.43 117.51 117.29 1xwg h ILE 158 Ca 0.19 -0.40 -0.03 0.00 -0.39 0.00 0.00 64.86 64.23 1xwg h ILE 158 Cb 0.15 1.40 -0.04 0.00 -3.07 0.00 0.00 36.82 35.26 1xwg h ILE 158 CO -0.02 0.10 0.38 0.45 -0.69 0.00 0.00 178.15 178.37 1xwg h HIS 159 N -0.16 1.14 0.13 1.37 3.86 -0.90 -0.62 115.15 119.97 1xwg h HIS 159 Ca 0.00 -0.06 -0.01 0.00 -1.16 0.00 0.00 60.37 59.15 1xwg h HIS 159 Cb 0.17 -0.35 0.00 0.00 1.06 0.00 0.00 27.41 28.29 1xwg h HIS 159 CO -0.02 0.83 -0.06 1.25 0.86 0.00 0.00 177.93 180.79 1xwg h LEU 160 N 1.12 -0.15 -0.97 2.43 5.85 -1.27 -1.90 115.31 120.42 1xwg h LEU 160 Ca 0.27 -0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.86 1xwg h LEU 160 Cb 0.12 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 1xwg h LEU 160 CO -0.03 -0.01 0.21 0.58 -0.34 0.00 0.00 178.44 178.85 1xwg h VAL 161 N -0.28 1.24 -0.25 1.05 2.07 -1.12 0.25 116.25 119.20 1xwg h VAL 161 Ca -0.02 -0.79 0.06 0.00 0.82 0.00 0.00 66.70 66.77 1xwg h VAL 161 Cb 0.23 0.51 -0.06 0.00 -1.52 0.00 0.00 31.29 30.45 1xwg h VAL 161 CO 0.03 0.31 -0.12 -0.08 0.02 0.00 0.00 177.57 177.73 1xwg h GLU 162 N 0.94 -0.08 -0.93 1.57 4.81 -1.04 -1.35 114.58 118.50 1xwg h GLU 162 Ca 0.21 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.44 1xwg h GLU 162 Cb 0.25 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.60 1xwg h GLU 162 CO -0.01 -0.06 0.55 1.25 -0.73 0.00 0.00 179.01 180.01 1xwg h LEU 163 N -0.09 1.12 -0.93 1.64 5.85 -0.61 -2.26 115.31 120.04 1xwg h LEU 163 Ca 0.13 -0.07 0.07 0.00 0.84 0.00 0.00 57.88 58.85 1xwg h LEU 163 Cb 0.29 -0.28 -0.07 0.00 0.37 0.00 0.00 40.66 40.97 1xwg h LEU 163 CO -0.31 0.87 0.58 -0.07 -0.34 0.00 0.00 178.44 179.18 1xwg h LEU 164 N 1.28 0.92 -0.92 2.25 3.38 -0.40 0.14 115.31 121.96 1xwg h LEU 164 Ca 0.33 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.33 1xwg h LEU 164 Cb -0.04 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.49 1xwg h LEU 164 CO -0.06 0.57 0.59 1.88 0.09 0.00 0.00 178.44 181.52 1xwg h TYR 165 N 1.04 1.17 -0.59 1.13 0.05 -0.69 -1.26 116.97 117.83 1xwg h TYR 165 Ca 0.41 0.02 -0.06 0.00 0.05 0.00 0.00 58.73 59.15 1xwg h TYR 165 Cb 0.21 -0.39 -0.02 0.00 1.01 0.00 0.00 36.73 37.54 1xwg h TYR 165 CO -0.02 0.75 0.15 1.88 -1.05 0.00 0.00 178.16 179.87 1xwg h TYR 166 N 1.25 0.99 -0.70 4.88 0.05 -0.85 -2.07 116.97 120.51 1xwg h TYR 166 Ca 0.34 -0.12 -0.05 0.00 0.05 0.00 0.00 58.73 58.95 1xwg h TYR 166 Cb -0.12 -0.28 -0.03 0.00 1.01 0.00 0.00 36.73 37.31 1xwg h TYR 166 CO -0.00 0.84 0.23 0.28 -1.05 0.00 0.00 178.16 178.45 1xwg h VAL 167 N 0.85 1.26 -0.62 -2.88 2.07 -0.74 -2.38 116.25 113.82 1xwg h VAL 167 Ca 0.19 -0.87 0.05 0.00 0.82 0.00 0.00 66.70 66.88 1xwg h VAL 167 Cb 0.34 0.49 -0.05 0.00 -1.52 0.00 0.00 31.29 30.56 1xwg h VAL 167 CO 0.00 0.34 0.35 -0.08 0.02 0.00 0.00 177.57 178.20 1xwg h GLU 168 N 1.03 0.64 -0.99 1.57 4.57 -1.02 -0.44 114.58 119.94 1xwg h GLU 168 Ca 0.23 -0.04 0.08 0.00 -1.18 0.00 0.00 59.36 58.44 1xwg h GLU 168 Cb 0.29 -0.14 -0.07 0.00 -0.16 0.00 0.00 28.75 28.67 1xwg h GLU 168 CO -0.01 0.42 0.63 0.93 -1.18 0.00 0.00 179.01 179.81 1xwg h GLU 169 N 0.66 1.09 -0.06 1.92 5.08 -0.99 -2.84 114.58 119.44 1xwg h GLU 169 Ca 0.27 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.54 1xwg h GLU 169 Cb 0.13 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.13 1xwg h GLU 169 CO -0.15 0.72 -0.07 1.25 -1.00 0.00 0.00 179.01 179.76 1xwg h LEU 170 N 1.12 0.16 -6.00 1.33 5.85 -0.91 -3.45 115.31 113.42 1xwg h LEU 170 Ca 0.44 -0.49 0.11 0.00 0.84 0.00 0.00 57.88 58.78 1xwg h LEU 170 Cb 0.23 -0.05 -0.21 0.00 0.37 0.00 0.00 40.66 41.00 1xwg h LEU 170 CO -0.19 0.62 -0.20 -0.62 -0.34 0.00 0.00 178.44 177.71 1xwg s ASP 171 N -5.89 -1.21 0.15 1.25 -1.08 -0.23 -5.04 116.67 104.62 1xwg s ASP 171 Ca -0.15 0.63 0.19 0.00 -0.52 0.00 0.00 52.55 52.70 1xwg s ASP 171 Cb 0.03 1.96 0.81 0.00 -1.46 0.00 0.00 42.92 44.26 1xwg s ASP 171 CO 0.71 -0.22 1.58 -1.54 0.52 0.00 0.00 175.17 176.21 1xwg n SER 172 N 5.42 0.37 0.12 -0.34 3.41 -1.17 -2.24 113.62 119.20 1xwg n SER 172 Ca -0.01 0.60 0.13 0.00 -0.26 0.00 0.00 58.87 59.33 1xwg n SER 172 Cb 0.52 -0.68 0.32 0.00 -0.26 0.00 0.00 64.21 64.12 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 -0.38 4.04 4.64 -1.92 -3.39 113.55 116.55 1xwg h SER 173 Ca 0.00 -0.03 -0.10 0.00 -0.47 0.00 0.00 61.79 61.19 1xwg h SER 173 Cb 0.28 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.36 1xwg h SER 173 CO 0.00 0.02 -0.12 -0.07 -0.87 0.00 0.00 176.83 175.79 1xwg h LEU 174 N 0.00 0.82 0.00 5.97 3.38 -1.80 -1.86 115.31 121.82 1xwg h LEU 174 Ca 0.00 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1xwg h LEU 174 Cb 0.79 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1xwg h LEU 174 CO 0.00 0.95 0.00 0.00 0.09 0.00 0.00 178.44 179.48 1xwg n ILE 175 N -4.16 0.39 -0.03 1.22 3.06 -1.26 -4.41 119.36 114.17 1xwg n ILE 175 Ca 0.01 0.10 0.08 0.00 -2.50 0.00 0.00 62.75 60.44 1xwg n ILE 175 Cb 0.38 -0.72 0.46 0.00 0.54 0.00 0.00 39.64 40.30 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 0.41 -0.40 9.51 4.64 -1.58 0.74 113.55 126.87 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 0.31 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1xwg h SER 176 CO 0.00 0.28 0.00 -1.54 -0.87 0.00 0.00 176.83 174.70 1xwg n SER 177 N -4.48 2.65 -3.70 4.97 3.41 -1.26 -4.62 113.62 110.59 1xwg n SER 177 Ca 0.06 -2.14 -0.27 0.00 -0.26 0.00 0.00 58.87 56.25 1xwg n SER 177 Cb 0.20 -0.37 -0.11 0.00 -0.26 0.00 0.00 64.21 63.68 1xwg n SER 177 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1xwg n PHE 178 N 0.64 2.69 0.02 7.33 3.72 0.25 -4.96 117.46 127.14 1xwg n PHE 178 Ca 0.15 -4.13 0.01 0.00 -0.05 0.00 0.00 57.45 53.43 1xwg n PHE 178 Cb 0.47 -0.49 0.34 0.00 -0.94 0.00 0.00 39.48 38.86 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 5.08 0.48 -0.03 -1.08 0.13 -1.82 -2.11 132.00 132.65 1xwg h PRO 179 Ca 0.17 -0.09 -0.18 0.00 -0.87 0.00 0.00 66.00 65.04 1xwg h PRO 179 Cb 0.76 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 31.80 1xwg h PRO 179 CO 0.69 0.48 -0.77 -0.07 -0.23 0.00 0.00 178.00 178.10 1xwg h LEU 180 N 0.47 0.28 -0.34 1.56 3.38 -1.94 -1.57 115.31 117.14 1xwg h LEU 180 Ca 0.11 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 1xwg h LEU 180 Cb 0.25 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1xwg h LEU 180 CO 0.00 0.94 0.13 -0.07 0.09 0.00 0.00 178.44 179.54 1xwg h LEU 181 N 0.15 0.48 -0.84 1.67 3.38 -1.86 -1.37 115.31 116.91 1xwg h LEU 181 Ca -0.03 -0.17 0.10 0.00 0.09 0.00 0.00 57.88 57.86 1xwg h LEU 181 Cb 1.35 -0.12 -0.07 0.00 0.09 0.00 0.00 40.66 41.90 1xwg h LEU 181 CO 0.12 0.52 0.48 0.11 0.09 0.00 0.00 178.44 179.76 1xwg h LYS 182 N 0.41 0.78 -0.40 1.13 1.57 -1.19 -1.81 116.57 117.06 1xwg h LYS 182 Ca 0.11 -0.05 -0.15 0.00 -1.87 0.00 0.00 60.65 58.70 1xwg h LYS 182 Cb 0.19 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 1xwg h LYS 182 CO -0.01 0.52 -0.32 0.00 -0.57 0.00 0.00 179.45 179.07 1xwg h ALA 183 N 1.46 0.57 -0.35 3.86 0.00 -0.97 -2.35 119.26 121.48 1xwg h ALA 183 Ca 0.40 -0.43 0.03 0.00 0.00 0.00 0.00 54.91 54.91 1xwg h ALA 183 Cb 0.37 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1xwg h ALA 183 CO -0.25 0.63 0.16 1.25 0.00 0.00 0.00 179.25 181.04 1xwg h LEU 184 N 0.74 0.22 -0.72 0.00 5.85 -0.98 -1.29 115.31 119.13 1xwg h LEU 184 Ca 0.07 0.02 0.09 0.00 0.84 0.00 0.00 57.88 58.90 1xwg h LEU 184 Cb 0.91 -0.02 -0.07 0.00 0.37 0.00 0.00 40.66 41.86 1xwg h LEU 184 CO 0.08 0.17 0.38 0.50 -0.34 0.00 0.00 178.44 179.23 1xwg h LYS 185 N 0.34 0.63 -0.29 1.25 3.64 -1.07 -1.01 116.57 120.06 1xwg h LYS 185 Ca 0.15 -0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 59.39 1xwg h LYS 185 Cb 0.08 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 1xwg h LYS 185 CO -0.12 0.42 -0.21 1.15 -2.27 0.00 0.00 179.45 178.42 1xwg h THR 186 N 0.65 1.30 -0.06 1.00 2.02 -0.95 -2.19 112.91 114.69 1xwg h THR 186 Ca 0.35 -1.35 -0.02 0.00 0.77 0.00 0.00 66.41 66.16 1xwg h THR 186 Cb 0.33 1.53 -0.00 0.00 -1.74 0.00 0.00 68.15 68.27 1xwg h THR 186 CO -0.25 0.43 -0.04 0.03 0.37 0.00 0.00 175.52 176.06 1xwg h ARG 187 N 0.40 0.14 -0.83 6.66 3.08 -0.78 -2.63 114.38 120.42 1xwg h ARG 187 Ca 0.06 -0.07 0.05 0.00 0.07 0.00 0.00 59.98 60.09 1xwg h ARG 187 Cb 0.76 -0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.75 1xwg h ARG 187 CO 0.06 0.54 0.52 0.82 -1.07 0.00 0.00 179.97 180.84 1xwg h ILE 188 N -0.27 1.07 0.00 2.04 1.08 -1.28 -1.58 117.51 118.57 1xwg h ILE 188 Ca 0.01 -0.33 0.00 0.00 -0.39 0.00 0.00 64.86 64.15 1xwg h ILE 188 Cb 0.51 0.02 0.00 0.00 -3.07 0.00 0.00 36.82 34.27 1xwg h ILE 188 CO 0.01 0.18 0.00 0.28 -0.69 0.00 0.00 178.15 177.93 1xwg h SER 189 N 0.97 0.00 0.01 1.72 0.02 -1.26 -2.14 113.55 112.87 1xwg h SER 189 Ca 0.35 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.30 1xwg h SER 189 Cb 0.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.66 1xwg h SER 189 CO -0.15 0.00 -0.19 0.59 -1.14 0.00 0.00 176.83 175.94 1xwg n ASN 190 N -2.74 2.21 -4.75 3.07 3.02 -0.61 -3.14 115.26 112.33 1xwg n ASN 190 Ca 0.01 -1.63 -0.42 0.00 -0.03 0.00 0.00 54.58 52.51 1xwg n ASN 190 Cb 0.24 0.17 -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 -2.22 4.35 0.29 3.41 1.43 -0.81 -4.77 118.68 120.36 1xwg s LEU 191 Ca 0.26 2.94 0.04 0.00 -1.03 0.00 0.00 54.13 56.34 1xwg s LEU 191 Cb 0.19 -3.63 0.72 0.00 0.03 0.00 0.00 46.19 43.50 1xwg s LEU 191 CO 0.42 -0.91 1.71 -0.65 0.23 0.00 0.00 176.35 177.15 1xwg h PRO 192 N 4.96 0.45 -0.24 1.29 0.11 -1.90 0.12 132.00 136.79 1xwg h PRO 192 Ca -0.47 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 65.49 1xwg h PRO 192 Cb 1.22 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 1xwg h PRO 192 CO 0.80 0.30 -0.36 1.79 -0.21 0.00 0.00 178.00 180.32 1xwg h THR 193 N 0.46 1.31 -0.27 -1.15 1.35 -1.87 -1.77 112.91 110.98 1xwg h THR 193 Ca 0.56 -1.56 -0.19 0.00 -0.55 0.00 0.00 66.41 64.66 1xwg h THR 193 Cb 1.02 1.73 0.00 0.00 -1.73 0.00 0.00 68.15 69.18 1xwg h THR 193 CO -0.50 0.49 -0.59 0.58 -0.25 0.00 0.00 175.52 175.25 1xwg h VAL 194 N 0.38 1.27 -0.75 6.82 2.07 -1.68 -1.74 116.25 122.62 1xwg h VAL 194 Ca 0.02 -1.77 0.08 0.00 0.82 0.00 0.00 66.70 65.85 1xwg h VAL 194 Cb 0.95 1.69 -0.07 0.00 -1.52 0.00 0.00 31.29 32.34 1xwg h VAL 194 CO 0.08 0.58 0.41 0.50 0.02 0.00 0.00 177.57 179.16 1xwg h LYS 195 N 0.66 0.69 -0.41 1.57 3.64 -0.72 -0.37 116.57 121.63 1xwg h LYS 195 Ca 0.00 -0.04 -0.11 0.00 -1.27 0.00 0.00 60.65 59.23 1xwg h LYS 195 Cb 1.21 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.86 1xwg h LYS 195 CO 0.13 0.46 -0.16 -0.22 -2.27 0.00 0.00 179.45 177.39 1xwg h LYS 196 N 0.71 0.84 -0.62 1.90 3.64 -1.03 -2.15 116.57 119.86 1xwg h LYS 196 Ca 0.35 -0.35 0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1xwg h LYS 196 Cb 0.31 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.06 1xwg h LYS 196 CO -0.23 0.99 0.41 0.35 -2.27 0.00 0.00 179.45 178.69 1xwg h PHE 197 N 0.66 0.78 0.00 1.91 3.57 -0.66 -2.35 116.94 120.86 1xwg h PHE 197 Ca 0.10 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.61 1xwg h PHE 197 Cb 0.71 -0.26 -0.00 0.00 2.79 0.00 0.00 35.95 39.19 1xwg h PHE 197 CO 0.05 0.50 -0.01 -0.07 -2.23 0.00 0.00 178.31 176.55 1xwg h LEU 198 N 0.84 0.00-10.20 0.59 3.38 -0.93 -3.41 115.31 105.57 1xwg h LEU 198 Ca 0.23 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.69 1xwg h LEU 198 Cb -0.09 0.00 0.09 0.00 0.09 0.00 0.00 40.66 40.75 1xwg h LEU 198 CO -0.05 0.01 0.37 -1.10 0.09 0.00 0.00 178.44 177.76 1xwg s GLN 199 N -3.23 2.90 0.84 1.13 -0.21 -0.82 -5.01 119.66 115.26 1xwg s GLN 199 Ca 0.07 1.34 -0.13 0.00 0.02 0.00 0.00 55.36 56.65 1xwg s GLN 199 Cb 0.05 -1.97 0.05 0.00 1.00 0.00 0.00 33.01 32.15 1xwg s GLN 199 CO 0.67 -1.16 0.85 -2.30 -2.12 0.00 0.00 175.29 171.23 1xwg n PRO 200 N -2.36 0.02 -0.80 2.91 -0.02 -1.26 -3.52 135.00 129.96 1xwg n PRO 200 Ca 0.10 0.07 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 1xwg n PRO 200 Cb 0.52 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 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 0.99 0.88 3.92 -1.23 0.00 -1.26 -5.05 105.19 103.44 1xwg n GLY 201 Ca 0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.91 4.35 0.00 1.61 1.04 -1.23 -4.97 113.70 111.58 1xwg s SER 202 Ca 0.00 0.49 0.10 0.00 0.48 0.00 0.00 55.95 57.03 1xwg s SER 202 Cb 0.00 -0.95 0.49 0.00 0.10 0.00 0.00 66.02 65.66 1xwg s SER 202 CO 0.00 -1.95 1.27 -2.65 0.98 0.00 0.00 173.24 170.89 1xwg n PRO 203 N -3.23 0.09 -1.72 4.02 -0.02 -1.26 -4.83 135.00 128.05 1xwg n PRO 203 Ca 0.10 0.24 -0.41 0.00 -2.02 0.00 0.00 63.50 61.41 1xwg n PRO 203 Cb 0.60 -1.50 0.01 0.00 -0.02 0.00 0.00 33.50 32.59 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 -1.37 2.11 -4.18 -0.52 0.63 -1.26 -4.97 116.66 107.10 1xwg n ARG 204 Ca 0.04 0.75 -0.30 0.00 -0.92 0.00 0.00 57.85 57.42 1xwg n ARG 204 Cb 0.10 -2.47 -0.09 0.00 0.45 0.00 0.00 32.46 30.45 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 -2.21 2.33 0.71 -0.14 -0.14 -1.26 -5.02 119.74 114.01 1xwg s LYS 205 Ca 0.59 -0.93 -0.11 0.00 -1.36 0.00 0.00 55.97 54.16 1xwg s LYS 205 Cb -0.50 -2.42 0.02 0.00 -1.68 0.00 0.00 37.83 33.25 1xwg s LYS 205 CO 0.59 0.52 1.08 -1.25 -0.76 0.00 0.00 175.35 175.54 1xwg s PRO 206 N -2.26 2.74 0.66 -1.68 0.04 -1.26 -4.85 135.00 128.39 1xwg s PRO 206 Ca 0.24 0.35 -0.17 0.00 0.04 0.00 0.00 61.00 61.46 1xwg s PRO 206 Cb -0.11 -2.04 -0.00 0.00 0.04 0.00 0.00 34.50 32.38 1xwg s PRO 206 CO 0.16 -1.07 1.21 -1.25 0.04 0.00 0.00 177.00 176.08 1xwg s PRO 207 N -5.34 2.59 0.29 0.56 0.04 -1.26 -4.39 135.00 127.49 1xwg s PRO 207 Ca 0.58 1.78 -0.29 0.00 0.04 0.00 0.00 61.00 63.11 1xwg s PRO 207 Cb -0.11 -1.89 -0.10 0.00 0.04 0.00 0.00 34.50 32.45 1xwg s PRO 207 CO 0.50 -1.49 1.20 1.41 0.04 0.00 0.00 177.00 178.66 1xwg s MET 208 N -3.64 4.51 0.39 4.56 1.75 -1.26 -5.05 119.30 120.56 1xwg s MET 208 Ca 0.76 1.99 0.08 0.00 -1.25 0.00 0.00 55.69 57.26 1xwg s MET 208 Cb -0.30 -3.14 -0.05 0.00 2.84 0.00 0.00 34.83 34.18 1xwg s MET 208 CO 0.39 0.01 0.15 0.16 -0.65 0.00 0.00 175.02 175.08 1xwg s ASP 209 N -0.61 4.43 0.41 1.11 -4.77 -1.26 -5.01 116.67 110.96 1xwg s ASP 209 Ca 0.47 -1.01 0.32 0.00 -3.30 0.00 0.00 52.55 49.03 1xwg s ASP 209 Cb -0.35 -0.53 1.38 0.00 -1.09 0.00 0.00 42.92 42.33 1xwg s ASP 209 CO 0.46 -0.45 1.40 -0.62 0.70 0.00 0.00 175.17 176.66 1xwg n GLU 210 N -1.17 -0.03 -1.78 2.11 1.02 -1.26 -2.25 120.64 117.29 1xwg n GLU 210 Ca -0.02 1.10 -0.42 0.00 -0.02 0.00 0.00 57.16 57.80 1xwg n GLU 210 Cb 0.64 -2.23 -0.00 0.00 -0.02 0.00 0.00 31.44 29.82 1xwg n GLU 210 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1xwg n LYS 211 N -4.37 2.78 -3.79 3.49 5.02 -1.26 -4.78 118.16 115.25 1xwg n LYS 211 Ca 0.37 -2.61 -0.29 0.00 -2.02 0.00 0.00 58.31 53.76 1xwg n LYS 211 Cb 1.48 -3.29 -0.12 0.00 -0.02 0.00 0.00 35.03 33.08 1xwg n LYS 211 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1xwg s SER 212 N 3.46 3.96 -0.17 4.39 1.04 -0.95 -5.08 113.70 120.33 1xwg s SER 212 Ca 0.49 -3.32 0.01 0.00 0.48 0.00 0.00 55.95 53.60 1xwg s SER 212 Cb 0.13 -1.32 0.01 0.00 0.10 0.00 0.00 66.02 64.94 1xwg s SER 212 CO -0.06 -0.16 -0.17 -0.76 0.98 0.00 0.00 173.24 173.07 1xwg s LEU 213 N -0.62 2.30 0.00 2.42 2.01 -1.26 -5.12 118.68 118.41 1xwg s LEU 213 Ca 0.23 -0.57 0.16 0.00 0.01 0.00 0.00 54.13 53.96 1xwg s LEU 213 Cb -0.11 -1.52 0.13 0.00 0.01 0.00 0.00 46.19 44.69 1xwg s LEU 213 CO -0.10 0.03 1.01 -1.84 1.01 0.00 0.00 176.35 176.45