#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wfa n PHE 2 N 0.00 1.53 0.61 1.12 1.16 -1.26 -4.95 117.46 115.67 2wfa n PHE 2 Ca 0.00 0.44 0.08 0.00 -1.87 0.00 0.00 57.45 56.10 2wfa n PHE 2 Cb 0.00 -2.24 -0.09 0.00 -1.61 0.00 0.00 39.48 35.53 2wfa n PHE 2 CO 0.00 0.00 0.00 1.63 -1.87 0.00 0.00 176.76 176.52 2wfa n LYS 3 N -1.05 1.61 -3.65 3.97 4.76 0.79 -4.98 118.16 119.61 2wfa n LYS 3 Ca 0.13 -0.03 -0.14 0.00 -2.87 0.00 0.00 58.31 55.40 2wfa n LYS 3 Cb 0.46 -1.26 -0.07 0.00 -1.84 0.00 0.00 35.03 32.32 2wfa n LYS 3 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2wfa s ALA 4 N -2.59 -1.14 -0.11 7.82 0.00 -1.21 -1.23 121.76 123.30 2wfa s ALA 4 Ca 0.04 0.56 0.03 0.00 0.00 0.00 0.00 51.96 52.59 2wfa s ALA 4 Cb 0.12 0.20 0.00 0.00 0.00 0.00 0.00 23.12 23.44 2wfa s ALA 4 CO 0.65 -0.39 -0.23 0.08 0.00 0.00 0.00 175.76 175.87 2wfa s VAL 5 N -1.86 2.01 -0.38 0.00 1.01 -0.05 -1.78 120.40 119.35 2wfa s VAL 5 Ca -0.09 -0.97 -0.11 0.00 0.00 0.00 0.00 61.98 60.80 2wfa s VAL 5 Cb -0.02 -1.75 0.03 0.00 0.00 0.00 0.00 36.38 34.64 2wfa s VAL 5 CO 0.02 0.55 0.22 -0.76 0.00 0.00 0.00 175.10 175.13 2wfa s LEU 6 N 0.52 4.79 -0.22 3.92 1.43 0.79 -1.84 118.68 128.07 2wfa s LEU 6 Ca -0.15 -1.02 -0.15 0.00 -1.03 0.00 0.00 54.13 51.79 2wfa s LEU 6 Cb -0.17 -2.04 -0.04 0.00 0.03 0.00 0.00 46.19 43.97 2wfa s LEU 6 CO 0.05 -0.40 0.36 -0.36 0.23 0.00 0.00 176.35 176.23 2wfa s PHE 7 N 1.56 3.33 0.72 0.29 0.40 0.70 -1.62 117.98 123.37 2wfa s PHE 7 Ca 0.02 0.52 -0.14 0.00 -0.60 0.00 0.00 56.93 56.73 2wfa s PHE 7 Cb -0.19 -2.51 0.03 0.00 0.51 0.00 0.00 43.02 40.86 2wfa s PHE 7 CO 0.07 -0.06 1.13 0.34 0.70 0.00 0.00 175.22 177.40 2wfa s ASP 8 N 1.20 4.58 -0.02 1.36 3.68 -0.92 -0.15 116.67 126.40 2wfa s ASP 8 Ca 0.17 2.07 -0.02 0.00 2.13 0.00 0.00 52.55 56.90 2wfa s ASP 8 Cb -0.15 -2.56 -0.01 0.00 -1.45 0.00 0.00 42.92 38.76 2wfa s ASP 8 CO 0.08 -1.99 -0.03 -0.11 0.13 0.00 0.00 175.17 173.24 2wfa n LEU 9 N -2.85 0.23 -4.69 -1.34 7.94 -1.26 -3.95 117.00 111.08 2wfa n LEU 9 Ca 0.11 0.14 -0.42 0.00 -1.11 0.00 0.00 56.01 54.73 2wfa n LEU 9 Cb 0.52 -0.54 -0.03 0.00 0.53 0.00 0.00 43.42 43.90 2wfa n LEU 9 CO 0.49 -0.48 1.20 -0.62 -1.11 0.00 0.00 177.39 176.87 2wfa s ASP 10 N -4.06 6.76 0.00 1.96 2.15 -1.26 -1.03 116.67 121.20 2wfa s ASP 10 Ca -0.03 2.23 0.00 0.00 0.43 0.00 0.00 52.55 55.18 2wfa s ASP 10 Cb 0.00 -2.56 0.00 0.00 -0.30 0.00 0.00 42.92 40.06 2wfa s ASP 10 CO 0.04 -0.78 0.00 0.61 -0.17 0.00 0.00 175.17 174.87 2wfa n GLY 11 N 3.78 1.15 1.27 2.66 0.00 0.19 -4.73 105.19 109.53 2wfa n GLY 11 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 2wfa n GLY 11 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2wfa n VAL 12 N -2.00 0.80 0.10 1.61 0.31 -0.90 -4.67 118.33 113.57 2wfa n VAL 12 Ca 0.00 0.26 -0.23 0.00 -0.01 0.00 0.00 64.34 64.36 2wfa n VAL 12 Cb 0.00 -1.24 -0.15 0.00 -0.91 0.00 0.00 33.84 31.54 2wfa n VAL 12 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 2wfa h ILE 13 N 0.00 1.24 -2.77 2.52 2.04 -1.21 -3.42 117.51 115.92 2wfa h ILE 13 Ca 0.00 -2.59 -0.04 0.00 1.00 0.00 0.00 64.86 63.23 2wfa h ILE 13 Cb 0.00 3.00 0.00 0.00 -0.74 0.00 0.00 36.82 39.08 2wfa h ILE 13 CO 0.00 0.79 0.16 1.07 0.00 0.00 0.00 178.15 180.17 2wfa n THR 14 N -3.81 0.00 -4.48 -0.27 5.66 -1.04 -0.39 114.28 109.95 2wfa n THR 14 Ca -0.19 -0.75 -0.21 0.00 -3.05 0.00 0.00 64.05 59.85 2wfa n THR 14 Cb 1.02 0.69 -0.16 0.00 -1.55 0.00 0.00 70.33 70.33 2wfa n THR 14 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 2wfa s ASP 15 N -2.44 1.40 0.00 1.09 -4.77 -1.26 0.57 116.67 111.26 2wfa s ASP 15 Ca 0.12 -0.22 0.26 0.00 -3.30 0.00 0.00 52.55 49.41 2wfa s ASP 15 Cb -0.03 -0.38 0.64 0.00 -1.09 0.00 0.00 42.92 42.06 2wfa s ASP 15 CO 0.09 0.08 1.49 0.35 0.70 0.00 0.00 175.17 177.89 2wfa n THR 16 N 3.26 0.00 -0.27 2.11 -2.24 -1.26 -4.61 114.28 111.28 2wfa n THR 16 Ca -0.18 -0.17 -0.02 0.00 -2.27 0.00 0.00 64.05 61.40 2wfa n THR 16 Cb 0.54 0.58 0.09 0.00 -2.10 0.00 0.00 70.33 69.44 2wfa n THR 16 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wfa h ALA 17 N 3.80 0.98 -0.49 6.98 0.00 -1.99 -0.79 119.26 127.75 2wfa h ALA 17 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2wfa h ALA 17 Cb 0.56 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2wfa h ALA 17 CO 0.00 0.25 0.27 1.49 0.00 0.00 0.00 179.25 181.26 2wfa h GLU 18 N 0.91 0.67 -0.04 0.00 4.57 -1.99 0.62 114.58 119.31 2wfa h GLU 18 Ca 0.30 -0.06 -0.20 0.00 -1.18 0.00 0.00 59.36 58.22 2wfa h GLU 18 Cb 0.04 -0.14 0.01 0.00 -0.16 0.00 0.00 28.75 28.50 2wfa h GLU 18 CO -0.12 0.49 -0.76 1.88 -1.18 0.00 0.00 179.01 179.33 2wfa h TYR 19 N 0.68 0.83 -0.67 0.92 -1.99 -1.51 -0.90 116.97 114.33 2wfa h TYR 19 Ca 0.17 -0.43 0.01 0.00 2.00 0.00 0.00 58.73 60.49 2wfa h TYR 19 Cb 0.02 -0.11 -0.03 0.00 2.00 0.00 0.00 36.73 38.61 2wfa h TYR 19 CO 0.00 1.25 0.44 0.45 -0.00 0.00 0.00 178.16 180.30 2wfa h HIS 20 N 0.19 0.84 0.09 4.88 3.86 -1.15 -1.53 115.15 122.32 2wfa h HIS 20 Ca -0.08 0.02 0.02 0.00 -1.16 0.00 0.00 60.37 59.17 2wfa h HIS 20 Cb 1.43 -0.28 -0.04 0.00 1.06 0.00 0.00 27.41 29.58 2wfa h HIS 20 CO 0.12 0.52 -0.27 0.35 0.86 0.00 0.00 177.93 179.52 2wfa h PHE 21 N 0.90 -0.72 -0.90 2.45 3.57 -0.78 -0.40 116.94 121.07 2wfa h PHE 21 Ca 0.25 0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.87 2wfa h PHE 21 Cb -0.10 0.30 -0.08 0.00 2.79 0.00 0.00 35.95 38.87 2wfa h PHE 21 CO -0.03 -0.37 0.54 0.00 -2.23 0.00 0.00 178.31 176.22 2wfa h ARG 22 N -0.46 0.84 -0.22 1.11 3.08 -0.98 0.54 114.38 118.29 2wfa h ARG 22 Ca 0.04 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.00 2wfa h ARG 22 Cb 0.50 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 2wfa h ARG 22 CO -0.17 0.56 -0.02 0.00 -1.07 0.00 0.00 179.97 179.26 2wfa h ALA 23 N 1.50 0.29 -0.60 0.04 0.00 -0.73 -0.99 119.26 118.76 2wfa h ALA 23 Ca 0.44 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 2wfa h ALA 23 Cb 0.44 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2wfa h ALA 23 CO -0.26 0.04 0.09 -1.49 0.00 0.00 0.00 179.25 177.62 2wfa h TRP 24 N 0.14 1.07 -0.78 0.00 -0.00 -0.72 -2.18 115.95 113.49 2wfa h TRP 24 Ca 0.06 -0.15 -0.04 0.00 -0.00 0.00 0.00 58.89 58.75 2wfa h TRP 24 Cb 0.44 -0.29 -0.03 0.00 -0.00 0.00 0.00 29.16 29.28 2wfa h TRP 24 CO 0.04 0.93 0.33 -0.22 -0.00 0.00 0.00 178.44 179.52 2wfa h LYS 25 N 0.91 1.15 -0.34 0.49 3.64 -0.82 0.13 116.57 121.73 2wfa h LYS 25 Ca 0.18 -0.20 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 2wfa h LYS 25 Cb 0.44 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 2wfa h LYS 25 CO 0.01 0.92 0.16 0.00 -2.27 0.00 0.00 179.45 178.27 2wfa h ALA 26 N 1.17 0.44 -0.17 5.00 0.00 -1.08 -1.63 119.26 122.99 2wfa h ALA 26 Ca 0.26 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 2wfa h ALA 26 Cb 0.19 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2wfa h ALA 26 CO -0.02 0.01 0.07 1.25 0.00 0.00 0.00 179.25 180.55 2wfa h LEU 27 N 0.41 0.23 -0.49 0.00 5.85 -1.11 -1.95 115.31 118.25 2wfa h LEU 27 Ca 0.12 -0.16 0.05 0.00 0.84 0.00 0.00 57.88 58.72 2wfa h LEU 27 Cb 0.14 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.06 2wfa h LEU 27 CO -0.01 0.33 0.23 0.00 -0.34 0.00 0.00 178.44 178.65 2wfa h ALA 28 N 0.91 0.62 -0.79 1.25 0.00 -0.69 -1.93 119.26 118.63 2wfa h ALA 28 Ca 0.06 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2wfa h ALA 28 Cb 0.17 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 2wfa h ALA 28 CO -0.00 -0.14 0.41 0.93 0.00 0.00 0.00 179.25 180.44 2wfa h GLU 29 N 0.44 1.12 -0.84 0.00 5.08 -1.23 0.15 114.58 119.31 2wfa h GLU 29 Ca 0.22 -0.15 0.02 0.00 -1.00 0.00 0.00 59.36 58.46 2wfa h GLU 29 Cb 0.16 -0.21 -0.05 0.00 0.50 0.00 0.00 28.75 29.16 2wfa h GLU 29 CO -0.18 0.85 0.55 1.49 -1.00 0.00 0.00 179.01 180.72 2wfa h GLU 30 N 1.10 1.05 -0.21 2.33 4.81 -0.83 -2.86 114.58 119.98 2wfa h GLU 30 Ca 0.27 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.44 2wfa h GLU 30 Cb 0.08 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.22 2wfa h GLU 30 CO -0.04 0.70 0.00 0.44 -0.73 0.00 0.00 179.01 179.38 2wfa n ILE 31 N -4.54 0.26 -2.54 2.32 -5.35 -0.77 -4.97 119.36 103.76 2wfa n ILE 31 Ca 0.10 -0.54 -0.01 0.00 -0.27 0.00 0.00 62.75 62.02 2wfa n ILE 31 Cb 0.06 0.89 0.01 0.00 -1.74 0.00 0.00 39.64 38.85 2wfa n ILE 31 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2wfa n GLY 32 N 1.34 0.84 3.29 3.28 0.00 0.18 -5.05 105.19 109.07 2wfa n GLY 32 Ca 0.17 -0.61 -0.35 0.00 0.00 0.00 0.00 46.02 45.23 2wfa n GLY 32 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wfa s ILE 33 N -3.02 3.32 0.73 -0.61 1.01 0.30 -5.01 121.20 117.91 2wfa s ILE 33 Ca 0.04 -0.66 -0.11 0.00 0.00 0.00 0.00 60.65 59.91 2wfa s ILE 33 Cb -0.02 -2.58 0.03 0.00 0.01 0.00 0.00 42.46 39.90 2wfa s ILE 33 CO 0.05 0.32 1.08 0.20 0.00 0.00 0.00 174.94 176.58 2wfa s ASN 34 N 1.44 5.18 0.00 3.58 0.01 -1.26 -4.25 114.94 119.63 2wfa s ASN 34 Ca 0.04 1.34 0.00 0.00 -0.71 0.00 0.00 52.86 53.53 2wfa s ASN 34 Cb -0.15 -2.17 0.00 0.00 0.41 0.00 0.00 41.25 39.34 2wfa s ASN 34 CO -0.03 -1.54 0.00 0.61 -1.51 0.00 0.00 177.10 174.63 2wfa n GLY 35 N -2.40 0.60 3.53 0.66 0.00 -1.26 -4.89 105.19 101.42 2wfa n GLY 35 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 2wfa n GLY 35 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wfa s VAL 36 N -2.30 4.39 0.54 1.61 1.01 -1.26 -4.74 120.40 119.64 2wfa s VAL 36 Ca 0.00 -1.74 0.05 0.00 0.00 0.00 0.00 61.98 60.29 2wfa s VAL 36 Cb 0.00 -5.03 0.05 0.00 0.00 0.00 0.00 36.38 31.40 2wfa s VAL 36 CO 0.00 -1.82 0.41 -0.90 0.00 0.00 0.00 175.10 172.78 2wfa n ASP 37 N 7.57 2.72 0.05 3.32 5.68 -1.26 -4.75 116.55 129.89 2wfa n ASP 37 Ca 0.38 -2.86 0.04 0.00 -0.50 0.00 0.00 54.79 51.86 2wfa n ASP 37 Cb 0.47 -0.04 0.46 0.00 -1.14 0.00 0.00 41.12 40.86 2wfa n ASP 37 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 2wfa h ARG 38 N 0.00 0.43 -0.24 0.11 2.43 -1.98 -2.00 114.38 113.14 2wfa h ARG 38 Ca -0.34 -0.03 -0.16 0.00 -0.81 0.00 0.00 59.98 58.63 2wfa h ARG 38 Cb 1.25 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.71 2wfa h ARG 38 CO 0.54 0.30 -0.49 1.96 -1.51 0.00 0.00 179.97 180.77 2wfa h GLN 39 N 0.44 0.75 -0.68 0.20 7.50 -1.95 -2.36 115.11 119.01 2wfa h GLN 39 Ca 0.12 -0.49 0.01 0.00 0.50 0.00 0.00 58.65 58.79 2wfa h GLN 39 Cb -0.02 0.06 -0.03 0.00 0.05 0.00 0.00 27.48 27.54 2wfa h GLN 39 CO -0.02 1.12 0.45 0.35 -1.50 0.00 0.00 178.83 179.22 2wfa h PHE 40 N 0.48 0.85 0.00 2.96 3.57 -1.71 -2.76 116.94 120.33 2wfa h PHE 40 Ca 0.01 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.45 2wfa h PHE 40 Cb 1.10 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 39.54 2wfa h PHE 40 CO 0.08 0.53 -0.34 -0.97 -2.23 0.00 0.00 178.31 175.38 2wfa h ASN 41 N 0.91 0.00 -0.51 0.41 -0.73 -1.30 -2.22 115.58 112.15 2wfa h ASN 41 Ca 0.25 0.00 0.11 0.00 1.87 0.00 0.00 56.30 58.53 2wfa h ASN 41 Cb -0.10 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 38.46 2wfa h ASN 41 CO -0.06 0.34 0.35 -0.33 -0.37 0.00 0.00 177.43 177.37 2wfa h GLU 42 N 0.00 0.19 -0.00 6.67 5.08 -1.11 -0.90 114.58 124.51 2wfa h GLU 42 Ca -0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2wfa h GLU 42 Cb 0.72 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.93 2wfa h GLU 42 CO 0.04 0.13 -0.00 1.04 -1.00 0.00 0.00 179.01 179.22 2wfa n GLN 43 N -4.44 0.84 -0.20 2.33 6.02 -0.83 -3.04 117.38 118.05 2wfa n GLN 43 Ca 0.08 -0.01 0.10 0.00 -0.01 0.00 0.00 57.00 57.16 2wfa n GLN 43 Cb 0.44 -1.50 0.21 0.00 1.02 0.00 0.00 30.24 30.41 2wfa n GLN 43 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2wfa n LEU 44 N -1.07 3.33 -4.67 1.08 4.77 -0.34 -4.88 117.00 115.22 2wfa n LEU 44 Ca 0.21 -1.62 -0.42 0.00 -0.03 0.00 0.00 56.01 54.15 2wfa n LEU 44 Cb 0.15 -0.27 -0.03 0.00 -2.33 0.00 0.00 43.42 40.95 2wfa n LEU 44 CO 0.20 0.75 1.49 -0.75 -1.33 0.00 0.00 177.39 177.74 2wfa s LYS 45 N -1.27 4.16 0.00 3.23 2.20 -1.17 -1.45 119.74 125.44 2wfa s LYS 45 Ca 0.36 2.47 0.00 0.00 -0.36 0.00 0.00 55.97 58.43 2wfa s LYS 45 Cb 0.20 -3.95 0.00 0.00 -1.51 0.00 0.00 37.83 32.57 2wfa s LYS 45 CO 0.28 -0.88 0.00 0.41 -0.36 0.00 0.00 175.35 174.80 2wfa n GLY 46 N 4.32 2.55 3.78 5.54 0.00 -1.26 -5.02 105.19 115.11 2wfa n GLY 46 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 2wfa n GLY 46 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wfa s VAL 47 N -3.19 4.36 0.81 1.61 1.01 -0.53 -5.03 120.40 119.44 2wfa s VAL 47 Ca 0.00 1.67 -0.12 0.00 0.00 0.00 0.00 61.98 63.54 2wfa s VAL 47 Cb 0.00 -4.09 0.09 0.00 0.00 0.00 0.00 36.38 32.37 2wfa s VAL 47 CO 0.00 0.43 1.14 -0.94 0.00 0.00 0.00 175.10 175.73 2wfa s SER 48 N -1.28 3.82 0.22 3.32 1.04 -1.26 -4.74 113.70 114.82 2wfa s SER 48 Ca 0.39 2.10 -0.08 0.00 0.48 0.00 0.00 55.95 58.84 2wfa s SER 48 Cb -0.22 -2.56 0.29 0.00 0.10 0.00 0.00 66.02 63.63 2wfa s SER 48 CO 0.26 -2.50 1.79 -0.09 0.98 0.00 0.00 173.24 173.68 2wfa h ARG 49 N -1.17 0.62 -0.22 4.02 2.43 -1.98 0.12 114.38 118.20 2wfa h ARG 49 Ca -0.44 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 58.62 2wfa h ARG 49 Cb 1.26 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.67 2wfa h ARG 49 CO 0.47 0.41 -0.12 0.93 -1.51 0.00 0.00 179.97 180.15 2wfa h GLU 50 N 0.64 0.47 -0.48 0.20 3.07 -1.98 -0.72 114.58 115.77 2wfa h GLU 50 Ca 0.32 -0.21 -0.09 0.00 -0.50 0.00 0.00 59.36 58.88 2wfa h GLU 50 Cb 0.28 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.16 2wfa h GLU 50 CO -0.23 0.76 -0.05 -0.44 -1.40 0.00 0.00 179.01 177.66 2wfa h ASP 51 N 0.17 0.82 -0.35 1.42 3.45 -1.87 -1.97 116.42 118.08 2wfa h ASP 51 Ca 0.05 -0.22 -0.01 0.00 0.43 0.00 0.00 57.03 57.27 2wfa h ASP 51 Cb 0.63 -0.22 -0.02 0.00 -0.56 0.00 0.00 39.33 39.16 2wfa h ASP 51 CO 0.04 0.91 0.18 0.28 -1.57 0.00 0.00 179.24 179.08 2wfa h SER 52 N 0.77 0.46 -0.73 6.45 0.02 -0.69 -1.97 113.55 117.87 2wfa h SER 52 Ca 0.14 -0.11 -0.00 0.00 -0.84 0.00 0.00 61.79 60.98 2wfa h SER 52 Cb 0.53 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 62.92 2wfa h SER 52 CO 0.03 0.44 0.45 0.25 -1.14 0.00 0.00 176.83 176.86 2wfa h LEU 53 N 0.44 0.87 -0.95 5.07 5.85 -0.90 -1.75 115.31 123.93 2wfa h LEU 53 Ca 0.12 -0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.81 2wfa h LEU 53 Cb 0.09 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 40.85 2wfa h LEU 53 CO -0.02 0.66 0.62 -0.61 -0.34 0.00 0.00 178.44 178.76 2wfa h GLN 54 N 0.99 1.19 -0.37 1.25 5.75 -1.18 -0.86 115.11 121.89 2wfa h GLN 54 Ca 0.26 -0.07 -0.03 0.00 -0.15 0.00 0.00 58.65 58.67 2wfa h GLN 54 Cb -0.05 -0.27 -0.02 0.00 1.07 0.00 0.00 27.48 28.21 2wfa h GLN 54 CO -0.05 0.79 0.12 0.87 -2.65 0.00 0.00 178.83 177.90 2wfa h LYS 55 N 1.23 0.52 -0.09 1.69 1.57 -0.56 -0.69 116.57 120.24 2wfa h LYS 55 Ca 0.37 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 59.04 2wfa h LYS 55 Cb -0.06 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.16 2wfa h LYS 55 CO -0.10 0.46 -0.05 0.82 -0.57 0.00 0.00 179.45 180.01 2wfa h ILE 56 N 0.52 1.32 -0.62 1.86 1.08 -0.54 -2.97 117.51 118.16 2wfa h ILE 56 Ca 0.13 -1.07 0.00 0.00 -0.39 0.00 0.00 64.86 63.53 2wfa h ILE 56 Cb 0.16 1.84 -0.03 0.00 -3.07 0.00 0.00 36.82 35.72 2wfa h ILE 56 CO -0.01 0.30 0.39 -0.07 -0.69 0.00 0.00 178.15 178.08 2wfa h LEU 57 N -0.17 0.72 -2.02 1.44 3.38 -0.97 -2.29 115.31 115.41 2wfa h LEU 57 Ca 0.02 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2wfa h LEU 57 Cb 0.50 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 2wfa h LEU 57 CO 0.01 0.54 -0.06 0.44 0.09 0.00 0.00 178.44 179.46 2wfa h ASP 58 N 0.84 0.00 -0.18 -0.43 3.32 -1.02 -0.18 116.42 118.78 2wfa h ASP 58 Ca 0.23 0.00 0.05 0.00 0.02 0.00 0.00 57.03 57.33 2wfa h ASP 58 Cb -0.07 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 2wfa h ASP 58 CO -0.05 0.06 0.17 -0.07 -1.72 0.00 0.00 179.24 177.64 2wfa h LEU 59 N 0.00 0.00 -3.02 1.55 3.38 -1.25 -2.19 115.31 113.79 2wfa h LEU 59 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2wfa h LEU 59 Cb 0.12 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 2wfa h LEU 59 CO 0.01 0.00 -0.05 0.00 0.09 0.00 0.00 178.44 178.49 2wfa n ALA 60 N -2.38 2.45 -4.31 1.53 0.00 -0.69 -4.95 120.51 112.16 2wfa n ALA 60 Ca 0.01 -2.68 -0.38 0.00 0.00 0.00 0.00 53.44 50.39 2wfa n ALA 60 Cb 0.30 -0.40 -0.04 0.00 0.00 0.00 0.00 19.45 19.31 2wfa n ALA 60 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2wfa n ASP 61 N -1.36 -2.73 -4.83 0.00 4.64 -0.82 -4.90 116.55 106.55 2wfa n ASP 61 Ca 0.17 -1.08 -0.37 0.00 -1.38 0.00 0.00 54.79 52.12 2wfa n ASP 61 Cb 0.66 -2.43 -0.06 0.00 -1.04 0.00 0.00 41.12 38.25 2wfa n ASP 61 CO 0.00 0.00 0.00 -0.75 -0.82 0.00 0.00 177.20 175.63 2wfa s LYS 62 N -7.02 3.86 -0.05 -0.67 2.20 -0.16 -4.98 119.74 112.92 2wfa s LYS 62 Ca 0.73 0.23 0.04 0.00 -0.36 0.00 0.00 55.97 56.61 2wfa s LYS 62 Cb -0.41 -3.25 -0.02 0.00 -1.51 0.00 0.00 37.83 32.64 2wfa s LYS 62 CO 0.96 0.63 -0.16 0.15 -0.36 0.00 0.00 175.35 176.56 2wfa s LYS 63 N -0.77 2.53 0.18 4.03 -0.14 -1.26 -4.57 119.74 119.74 2wfa s LYS 63 Ca 0.20 -0.73 0.02 0.00 -1.36 0.00 0.00 55.97 54.10 2wfa s LYS 63 Cb -0.15 -2.35 -0.05 0.00 -1.68 0.00 0.00 37.83 33.60 2wfa s LYS 63 CO 0.09 0.58 0.02 0.14 -0.76 0.00 0.00 175.35 175.42 2wfa s VAL 64 N -0.62 0.64 0.90 3.17 -7.23 -1.26 -5.15 120.40 110.85 2wfa s VAL 64 Ca 0.09 -1.98 -0.11 0.00 -1.81 0.00 0.00 61.98 58.17 2wfa s VAL 64 Cb -0.11 -2.19 0.13 0.00 0.56 0.00 0.00 36.38 34.77 2wfa s VAL 64 CO 0.01 -0.41 1.09 -0.94 -0.31 0.00 0.00 175.10 174.54 2wfa s SER 65 N -3.19 3.42 0.24 4.85 1.04 -1.26 -4.80 113.70 114.00 2wfa s SER 65 Ca 0.26 1.57 -0.07 0.00 0.48 0.00 0.00 55.95 58.18 2wfa s SER 65 Cb 0.06 -2.24 0.23 0.00 0.10 0.00 0.00 66.02 64.17 2wfa s SER 65 CO 0.05 -2.68 1.91 0.00 0.98 0.00 0.00 173.24 173.50 2wfa h ALA 66 N -1.58 1.16 -0.38 5.32 0.00 -2.01 -0.33 119.26 121.44 2wfa h ALA 66 Ca -0.49 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.27 2wfa h ALA 66 Cb 1.28 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 2wfa h ALA 66 CO 0.53 0.55 -0.09 1.49 0.00 0.00 0.00 179.25 181.73 2wfa h GLU 67 N 1.23 0.74 -0.54 0.00 4.57 -2.00 -1.97 114.58 116.62 2wfa h GLU 67 Ca 0.34 -0.28 -0.07 0.00 -1.18 0.00 0.00 59.36 58.16 2wfa h GLU 67 Cb -0.13 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.40 2wfa h GLU 67 CO -0.08 0.89 0.06 1.49 -1.18 0.00 0.00 179.01 180.19 2wfa h GLU 68 N 0.55 0.88 -0.29 1.92 4.81 -1.85 -1.75 114.58 118.85 2wfa h GLU 68 Ca 0.10 -0.22 -0.01 0.00 -0.13 0.00 0.00 59.36 59.10 2wfa h GLU 68 Cb 0.61 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 2wfa h GLU 68 CO 0.04 0.84 0.14 0.35 -0.73 0.00 0.00 179.01 179.65 2wfa h PHE 69 N 0.83 0.41 -0.69 0.92 3.57 -0.95 -0.43 116.94 120.60 2wfa h PHE 69 Ca 0.17 -0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.71 2wfa h PHE 69 Cb 0.41 -0.13 -0.06 0.00 2.79 0.00 0.00 35.95 38.97 2wfa h PHE 69 CO 0.02 0.37 0.39 -0.22 -2.23 0.00 0.00 178.31 176.64 2wfa h LYS 70 N 0.33 0.69 -0.51 1.11 3.64 -1.15 -1.33 116.57 119.35 2wfa h LYS 70 Ca 0.10 -0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 59.33 2wfa h LYS 70 Cb 0.11 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 2wfa h LYS 70 CO -0.01 0.46 -0.08 1.49 -2.27 0.00 0.00 179.45 179.03 2wfa h GLU 71 N 0.71 0.96 -0.60 1.90 4.57 -0.97 -1.85 114.58 119.30 2wfa h GLU 71 Ca 0.31 -0.35 -0.03 0.00 -1.18 0.00 0.00 59.36 58.11 2wfa h GLU 71 Cb 0.20 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.70 2wfa h GLU 71 CO -0.19 1.01 0.25 -0.07 -1.18 0.00 0.00 179.01 178.84 2wfa h LEU 72 N 0.82 0.82 -0.95 1.64 3.38 -0.81 -0.22 115.31 119.99 2wfa h LEU 72 Ca 0.13 -0.16 0.01 0.00 0.09 0.00 0.00 57.88 57.95 2wfa h LEU 72 Cb 0.64 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 41.13 2wfa h LEU 72 CO 0.04 0.75 0.62 0.00 0.09 0.00 0.00 178.44 179.95 2wfa h ALA 73 N 1.10 1.21 -0.17 1.53 0.00 -1.14 -0.79 119.26 121.00 2wfa h ALA 73 Ca 0.20 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2wfa h ALA 73 Cb 0.18 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2wfa h ALA 73 CO -0.02 0.62 0.05 -0.22 0.00 0.00 0.00 179.25 179.68 2wfa h LYS 74 N 1.30 0.26 -0.96 0.00 3.64 -0.97 -2.31 116.57 117.53 2wfa h LYS 74 Ca 0.35 -0.06 0.06 0.00 -1.27 0.00 0.00 60.65 59.73 2wfa h LYS 74 Cb -0.13 -0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 31.59 2wfa h LYS 74 CO -0.07 0.38 0.62 0.00 -2.27 0.00 0.00 179.45 178.11 2wfa h ARG 75 N 0.09 1.09 -0.62 1.90 3.08 -0.75 0.57 114.38 119.73 2wfa h ARG 75 Ca 0.05 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 2wfa h ARG 75 Cb 0.23 -0.25 -0.03 0.00 0.08 0.00 0.00 29.97 30.01 2wfa h ARG 75 CO -0.00 0.72 0.35 -0.22 -1.07 0.00 0.00 179.97 179.75 2wfa h LYS 76 N 1.12 0.86 -0.70 0.04 3.11 -1.00 0.06 116.57 120.05 2wfa h LYS 76 Ca 0.42 -0.09 -0.06 0.00 -2.81 0.00 0.00 60.65 58.10 2wfa h LYS 76 Cb 0.16 -0.17 -0.03 0.00 -1.00 0.00 0.00 32.23 31.19 2wfa h LYS 76 CO -0.17 0.64 0.21 -0.97 -2.81 0.00 0.00 179.45 176.34 2wfa h ASN 77 N 0.84 1.03 -0.64 4.20 -1.24 -0.73 0.63 115.58 119.67 2wfa h ASN 77 Ca 0.22 -0.19 -0.00 0.00 0.71 0.00 0.00 56.30 57.04 2wfa h ASN 77 Cb 0.02 -0.27 -0.03 0.00 0.73 0.00 0.00 38.32 38.77 2wfa h ASN 77 CO -0.04 0.96 0.40 0.44 -1.29 0.00 0.00 177.43 177.90 2wfa h ASP 78 N 1.05 0.75 -0.42 1.15 3.32 -0.50 -1.24 116.42 120.54 2wfa h ASP 78 Ca 0.23 -0.05 0.02 0.00 0.02 0.00 0.00 57.03 57.25 2wfa h ASP 78 Cb 0.31 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.64 2wfa h ASP 78 CO -0.01 0.58 0.24 0.78 -1.72 0.00 0.00 179.24 179.11 2wfa h ASN 79 N 0.86 0.39 -0.17 6.45 -0.26 -0.49 -2.34 115.58 120.02 2wfa h ASN 79 Ca 0.23 0.01 0.01 0.00 -0.56 0.00 0.00 56.30 55.99 2wfa h ASN 79 Cb -0.05 -0.08 -0.02 0.00 -1.06 0.00 0.00 38.32 37.12 2wfa h ASN 79 CO -0.05 0.28 0.07 0.22 -1.06 0.00 0.00 177.43 176.89 2wfa h TYR 80 N 0.49 0.13 -0.76 1.19 3.20 -0.40 0.29 116.97 121.11 2wfa h TYR 80 Ca 0.17 0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.16 2wfa h TYR 80 Cb 0.02 -0.03 -0.08 0.00 1.54 0.00 0.00 36.73 38.18 2wfa h TYR 80 CO -0.07 0.07 0.38 0.28 -1.64 0.00 0.00 178.16 177.17 2wfa h VAL 81 N 0.16 0.81 -0.50 1.81 2.07 -1.14 -0.42 116.25 119.03 2wfa h VAL 81 Ca 0.07 -0.21 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 2wfa h VAL 81 Cb 0.03 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 29.92 2wfa h VAL 81 CO -0.06 0.11 0.30 0.11 0.02 0.00 0.00 177.57 178.05 2wfa h LYS 82 N 0.61 0.68 -0.49 1.57 1.57 -0.85 -3.18 116.57 116.47 2wfa h LYS 82 Ca 0.39 -0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 59.02 2wfa h LYS 82 Cb 0.46 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 2wfa h LYS 82 CO -0.30 0.49 -0.04 0.52 -0.57 0.00 0.00 179.45 179.55 2wfa h MET 83 N 0.67 0.84 0.00 3.15 2.86 0.39 -2.84 114.93 120.00 2wfa h MET 83 Ca 0.18 -0.25 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 2wfa h MET 83 Cb -0.02 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.56 2wfa h MET 83 CO -0.03 0.87 0.00 0.44 1.06 0.00 0.00 176.91 179.25 2wfa n ILE 84 N -4.19 0.27 0.17 -1.22 -5.35 -0.30 -2.26 119.36 106.47 2wfa n ILE 84 Ca 0.02 0.07 0.16 0.00 -0.27 0.00 0.00 62.75 62.73 2wfa n ILE 84 Cb 0.33 -0.66 0.76 0.00 -1.74 0.00 0.00 39.64 38.33 2wfa n ILE 84 CO 0.00 0.00 0.00 1.56 -1.76 0.00 0.00 176.55 176.35 2wfa h GLN 85 N 0.00 0.00 -0.00 6.28 1.08 -1.50 -2.12 115.11 118.85 2wfa h GLN 85 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2wfa h GLN 85 Cb 0.28 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.71 2wfa h GLN 85 CO 0.00 0.00 -0.11 -0.25 -0.95 0.00 0.00 178.83 177.52 2wfa n ASP 86 N -4.11 0.52 -4.74 1.46 10.43 -0.96 -4.87 116.55 114.27 2wfa n ASP 86 Ca 0.02 -0.64 -0.41 0.00 2.57 0.00 0.00 54.79 56.33 2wfa n ASP 86 Cb 0.33 -0.06 0.01 0.00 1.84 0.00 0.00 41.12 43.25 2wfa n ASP 86 CO 0.00 0.00 0.00 0.52 -1.07 0.00 0.00 177.20 176.65 2wfa n VAL 87 N -0.89 2.49 -4.03 2.53 0.31 -0.80 -5.01 118.33 112.93 2wfa n VAL 87 Ca 0.15 -0.50 -0.11 0.00 -0.01 0.00 0.00 64.34 63.86 2wfa n VAL 87 Cb 0.28 -1.78 -0.04 0.00 -0.91 0.00 0.00 33.84 31.38 2wfa n VAL 87 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2wfa s SER 88 N -0.39 0.34 0.62 4.52 1.04 -1.26 -4.72 113.70 113.85 2wfa s SER 88 Ca 0.59 -1.20 0.36 0.00 0.48 0.00 0.00 55.95 56.17 2wfa s SER 88 Cb -0.48 0.63 1.95 0.00 0.10 0.00 0.00 66.02 68.22 2wfa s SER 88 CO 0.59 -1.24 2.09 -0.65 0.98 0.00 0.00 173.24 175.02 2wfa h PRO 89 N 2.19 0.00 0.00 4.02 0.11 -1.73 0.23 132.00 136.82 2wfa h PRO 89 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 2wfa h PRO 89 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2wfa h PRO 89 CO 0.38 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.17 2wfa h ALA 90 N 1.72 1.00 0.00 -0.75 0.00 -1.93 -2.65 119.26 116.64 2wfa h ALA 90 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2wfa h ALA 90 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2wfa h ALA 90 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.00 2wfa n ASP 91 N -2.91 0.73 -4.74 0.00 8.00 0.07 -4.87 116.55 112.83 2wfa n ASP 91 Ca -0.00 0.59 -0.41 0.00 0.71 0.00 0.00 54.79 55.67 2wfa n ASP 91 Cb 0.22 -0.78 -0.03 0.00 -0.02 0.00 0.00 41.12 40.52 2wfa n ASP 91 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2wfa s VAL 92 N -3.13 2.91 0.61 2.53 1.01 -1.00 -4.49 120.40 118.83 2wfa s VAL 92 Ca 0.10 0.73 -0.17 0.00 0.00 0.00 0.00 61.98 62.64 2wfa s VAL 92 Cb 0.12 -3.47 -0.02 0.00 0.00 0.00 0.00 36.38 33.01 2wfa s VAL 92 CO 0.55 0.10 1.14 -0.31 0.00 0.00 0.00 175.10 176.58 2wfa s TYR 93 N 0.27 2.56 0.36 5.22 4.12 0.47 -4.95 117.35 125.40 2wfa s TYR 93 Ca 0.60 1.55 -0.28 0.00 0.02 0.00 0.00 57.07 58.96 2wfa s TYR 93 Cb -0.40 -3.28 -0.11 0.00 -1.52 0.00 0.00 41.96 36.65 2wfa s TYR 93 CO 0.39 -1.79 1.45 -2.30 0.02 0.00 0.00 175.55 173.32 2wfa n PRO 94 N -1.92 2.56 0.00 -1.71 -0.02 -1.26 -2.69 135.00 129.96 2wfa n PRO 94 Ca 0.11 0.90 0.00 0.00 -2.02 0.00 0.00 63.50 62.49 2wfa n PRO 94 Cb 0.51 -2.60 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 2wfa n PRO 94 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wfa n GLY 95 N 0.64 3.05 0.16 -1.23 0.00 -1.26 -3.03 105.19 103.51 2wfa n GLY 95 Ca 0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.93 2wfa n GLY 95 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2wfa h ILE 96 N 0.00 1.29 -0.20 -0.61 1.08 -1.75 -1.48 117.51 115.83 2wfa h ILE 96 Ca 0.00 -1.07 -0.00 0.00 -0.39 0.00 0.00 64.86 63.39 2wfa h ILE 96 Cb 0.00 1.51 -0.01 0.00 -3.07 0.00 0.00 36.82 35.25 2wfa h ILE 96 CO 0.00 0.33 0.12 0.25 -0.69 0.00 0.00 178.15 178.16 2wfa h LEU 97 N 0.19 0.25 -1.12 1.44 5.85 -1.90 -0.91 115.31 119.11 2wfa h LEU 97 Ca 0.06 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2wfa h LEU 97 Cb 0.53 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.46 2wfa h LEU 97 CO 0.02 0.24 0.53 -0.61 -0.34 0.00 0.00 178.44 178.28 2wfa h GLN 98 N 0.24 1.13 -0.10 1.25 5.75 -1.94 -1.23 115.11 120.20 2wfa h GLN 98 Ca 0.07 -0.09 -0.01 0.00 -0.15 0.00 0.00 58.65 58.48 2wfa h GLN 98 Cb 0.04 -0.25 -0.00 0.00 1.07 0.00 0.00 27.48 28.34 2wfa h GLN 98 CO -0.01 0.77 0.04 1.25 -2.65 0.00 0.00 178.83 178.23 2wfa h LEU 99 N 1.15 0.14 -0.77 -2.39 5.85 -0.85 -1.12 115.31 117.31 2wfa h LEU 99 Ca 0.31 -0.15 0.06 0.00 0.84 0.00 0.00 57.88 58.94 2wfa h LEU 99 Cb -0.09 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 40.85 2wfa h LEU 99 CO -0.06 0.25 0.46 -0.07 -0.34 0.00 0.00 178.44 178.67 2wfa h LEU 100 N 0.02 0.70 -0.67 2.25 3.38 -0.88 0.82 115.31 120.93 2wfa h LEU 100 Ca 0.03 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 2wfa h LEU 100 Cb 0.15 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 2wfa h LEU 100 CO -0.00 0.45 0.28 0.11 0.09 0.00 0.00 178.44 179.36 2wfa h LYS 101 N 0.83 0.99 -0.17 1.13 1.57 -1.02 -1.54 116.57 118.37 2wfa h LYS 101 Ca 0.34 -0.17 -0.18 0.00 -1.87 0.00 0.00 60.65 58.77 2wfa h LYS 101 Cb 0.18 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.33 2wfa h LYS 101 CO -0.18 0.82 -0.61 -0.44 -0.57 0.00 0.00 179.45 178.47 2wfa h ASP 102 N 0.94 0.67 -0.15 0.86 3.45 -0.69 -1.28 116.42 120.22 2wfa h ASP 102 Ca 0.22 -0.38 -0.02 0.00 0.43 0.00 0.00 57.03 57.28 2wfa h ASP 102 Cb 0.19 -0.19 -0.01 0.00 -0.56 0.00 0.00 39.33 38.76 2wfa h ASP 102 CO -0.02 1.12 0.02 -0.07 -1.57 0.00 0.00 179.24 178.72 2wfa h LEU 103 N 0.44 0.25 -0.45 1.55 3.38 -0.76 -2.32 115.31 117.39 2wfa h LEU 103 Ca -0.01 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.68 2wfa h LEU 103 Cb 1.18 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.85 2wfa h LEU 103 CO 0.12 0.45 0.19 -0.09 0.09 0.00 0.00 178.44 179.20 2wfa h ARG 104 N 0.04 0.67 0.00 1.13 2.43 -1.23 -0.32 114.38 117.10 2wfa h ARG 104 Ca 0.05 -0.11 -0.05 0.00 -0.81 0.00 0.00 59.98 59.05 2wfa h ARG 104 Cb 0.31 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 2wfa h ARG 104 CO 0.00 0.60 -0.23 0.66 -1.51 0.00 0.00 179.97 179.49 2wfa h SER 105 N 0.59 0.00 -0.48 -3.80 4.64 -1.23 -1.62 113.55 111.65 2wfa h SER 105 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 2wfa h SER 105 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 2wfa h SER 105 CO -0.01 0.23 0.00 0.59 -0.87 0.00 0.00 176.83 176.77 2wfa n ASN 106 N -3.67 2.61 -2.44 4.97 3.02 -0.88 -4.95 115.26 113.93 2wfa n ASN 106 Ca -0.01 -1.99 -0.19 0.00 -0.03 0.00 0.00 54.58 52.36 2wfa n ASN 106 Cb 0.36 -0.32 0.01 0.00 -0.61 0.00 0.00 39.78 39.22 2wfa n ASN 106 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2wfa n LYS 107 N 0.93 -3.12 -3.52 3.52 4.76 -0.61 -5.00 118.16 115.12 2wfa n LYS 107 Ca 0.17 0.85 -0.37 0.00 -2.87 0.00 0.00 58.31 56.08 2wfa n LYS 107 Cb 0.42 -5.44 -0.07 0.00 -1.84 0.00 0.00 35.03 28.10 2wfa n LYS 107 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2wfa s ILE 108 N -3.03 5.25 0.51 -0.18 1.01 -0.18 -5.03 121.20 119.55 2wfa s ILE 108 Ca 0.15 0.64 -0.20 0.00 0.00 0.00 0.00 60.65 61.25 2wfa s ILE 108 Cb -0.07 -3.66 -0.07 0.00 0.01 0.00 0.00 42.46 38.67 2wfa s ILE 108 CO 0.19 0.43 1.10 -0.54 0.00 0.00 0.00 174.94 176.13 2wfa s LYS 109 N 0.10 3.56 -0.08 2.79 -0.14 -0.37 -4.20 119.74 121.40 2wfa s LYS 109 Ca 0.19 1.56 0.00 0.00 -1.36 0.00 0.00 55.97 56.36 2wfa s LYS 109 Cb -0.14 -2.09 0.02 0.00 -1.68 0.00 0.00 37.83 33.94 2wfa s LYS 109 CO 0.07 -0.67 -0.06 0.42 -0.76 0.00 0.00 175.35 174.34 2wfa s ILE 110 N -1.80 0.80 0.05 2.17 1.01 -1.26 -0.87 121.20 121.30 2wfa s ILE 110 Ca 0.70 -0.21 0.02 0.00 0.00 0.00 0.00 60.65 61.16 2wfa s ILE 110 Cb -0.22 -0.82 -0.03 0.00 0.01 0.00 0.00 42.46 41.40 2wfa s ILE 110 CO 0.26 0.31 -0.08 0.00 0.00 0.00 0.00 174.94 175.42 2wfa s ALA 111 N 1.31 0.67 -0.14 9.38 0.00 -0.77 -0.33 121.76 131.88 2wfa s ALA 111 Ca -0.04 -0.86 -0.12 0.00 0.00 0.00 0.00 51.96 50.93 2wfa s ALA 111 Cb -0.14 0.05 -0.05 0.00 0.00 0.00 0.00 23.12 22.99 2wfa s ALA 111 CO -0.03 -0.04 0.26 -1.17 0.00 0.00 0.00 175.76 174.79 2wfa s LEU 112 N -1.80 4.28 -0.49 0.00 2.96 -0.63 -0.21 118.68 122.79 2wfa s LEU 112 Ca -0.06 0.51 0.08 0.00 -0.22 0.00 0.00 54.13 54.44 2wfa s LEU 112 Cb -0.08 -2.32 0.31 0.00 0.50 0.00 0.00 46.19 44.61 2wfa s LEU 112 CO -0.00 0.18 0.77 0.00 -1.32 0.00 0.00 176.35 175.98 2wfa n ALA 113 N 3.16 3.38 -2.65 5.97 0.00 0.79 -1.15 120.51 130.02 2wfa n ALA 113 Ca -0.14 -4.10 -0.31 0.00 0.00 0.00 0.00 53.44 48.89 2wfa n ALA 113 Cb 0.52 -0.84 -0.09 0.00 0.00 0.00 0.00 19.45 19.05 2wfa n ALA 113 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2wfa s SER 114 N -2.60 4.84 0.14 0.00 0.15 -1.26 -4.30 113.70 110.67 2wfa s SER 114 Ca 0.42 -0.19 0.24 0.00 0.70 0.00 0.00 55.95 57.13 2wfa s SER 114 Cb 0.26 -1.13 0.92 0.00 -1.71 0.00 0.00 66.02 64.36 2wfa s SER 114 CO -0.09 0.21 1.73 0.00 1.20 0.00 0.00 173.24 176.29 2wfa n ALA 115 N 0.91 2.00 -2.11 5.45 0.00 -1.26 -4.43 120.51 121.07 2wfa n ALA 115 Ca -0.13 -0.01 -0.42 0.00 0.00 0.00 0.00 53.44 52.88 2wfa n ALA 115 Cb 0.52 -1.40 -0.03 0.00 0.00 0.00 0.00 19.45 18.54 2wfa n ALA 115 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2wfa s SER 116 N -3.85 6.75 0.00 0.00 0.15 -1.26 -4.88 113.70 110.61 2wfa s SER 116 Ca 0.09 2.16 0.18 0.00 0.70 0.00 0.00 55.95 59.08 2wfa s SER 116 Cb 0.12 -2.55 0.91 0.00 -1.71 0.00 0.00 66.02 62.79 2wfa s SER 116 CO 0.46 -0.84 1.53 0.29 1.20 0.00 0.00 173.24 175.88 2wfa n LYS 117 N 6.37 0.27 -0.52 5.44 5.02 -1.26 -2.66 118.16 130.82 2wfa n LYS 117 Ca 0.15 0.11 0.06 0.00 -2.02 0.00 0.00 58.31 56.62 2wfa n LYS 117 Cb 0.43 -1.50 0.25 0.00 -0.02 0.00 0.00 35.03 34.19 2wfa n LYS 117 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2wfa n ASN 118 N -1.27 3.73 0.08 4.39 3.02 -1.26 -4.83 115.26 119.12 2wfa n ASN 118 Ca 0.09 -3.13 -0.13 0.00 -0.03 0.00 0.00 54.58 51.37 2wfa n ASN 118 Cb 0.14 -0.57 -0.07 0.00 -0.61 0.00 0.00 39.78 38.67 2wfa n ASN 118 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 2wfa h GLY 119 N 1.71 -0.74 0.72 7.41 0.00 -1.91 -0.29 103.07 109.97 2wfa h GLY 119 Ca 0.04 0.48 0.06 0.00 0.00 0.00 0.00 47.33 47.91 2wfa h GLY 119 CO 0.27 -0.25 0.50 -2.55 0.00 0.00 0.00 176.54 174.50 2wfa h PRO 120 N -0.58 0.88 -0.46 4.80 0.11 -1.88 -0.11 132.00 134.77 2wfa h PRO 120 Ca 0.04 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.08 2wfa h PRO 120 Cb 0.64 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.53 2wfa h PRO 120 CO -0.28 0.58 0.22 0.35 -0.21 0.00 0.00 178.00 178.66 2wfa h PHE 121 N 0.91 0.66 -0.51 0.65 3.57 -1.87 -1.62 116.94 118.74 2wfa h PHE 121 Ca 0.35 -0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.77 2wfa h PHE 121 Cb 0.16 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.68 2wfa h PHE 121 CO -0.04 0.53 0.13 -0.07 -2.23 0.00 0.00 178.31 176.63 2wfa h LEU 122 N 0.60 0.77 -1.17 0.59 3.38 -0.37 -0.22 115.31 118.88 2wfa h LEU 122 Ca 0.16 -0.23 0.03 0.00 0.09 0.00 0.00 57.88 57.93 2wfa h LEU 122 Cb 0.12 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.62 2wfa h LEU 122 CO -0.02 0.80 0.57 -0.07 0.09 0.00 0.00 178.44 179.80 2wfa h LEU 123 N 0.70 0.93 -0.21 1.67 3.38 -0.93 -1.45 115.31 119.40 2wfa h LEU 123 Ca 0.16 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 2wfa h LEU 123 Cb 0.33 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 2wfa h LEU 123 CO 0.00 0.64 0.04 -0.08 0.09 0.00 0.00 178.44 179.13 2wfa h GLU 124 N 1.08 0.34 -0.22 1.13 4.81 -0.57 0.69 114.58 121.84 2wfa h GLU 124 Ca 0.34 -0.09 -0.02 0.00 -0.13 0.00 0.00 59.36 59.46 2wfa h GLU 124 Cb 0.02 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 2wfa h GLU 124 CO -0.10 0.48 0.04 0.00 -0.73 0.00 0.00 179.01 178.69 2wfa h ARG 125 N 0.15 0.31 -0.08 1.92 2.47 -0.72 -1.63 114.38 116.79 2wfa h ARG 125 Ca 0.07 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.74 2wfa h ARG 125 Cb 0.29 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.55 2wfa h ARG 125 CO 0.00 0.31 0.00 -1.33 0.56 0.00 0.00 179.97 179.51 2wfa n MET 126 N -4.40 1.56 -2.68 0.04 2.81 -0.57 -3.47 117.12 110.41 2wfa n MET 126 Ca 0.00 -0.83 -0.15 0.00 -1.81 0.00 0.00 57.70 54.90 2wfa n MET 126 Cb 0.16 -1.42 0.02 0.00 -0.71 0.00 0.00 33.22 31.27 2wfa n MET 126 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 2wfa n ASN 127 N 0.03 -4.70 -0.34 7.83 5.15 -0.62 -4.25 115.26 118.37 2wfa n ASN 127 Ca 0.18 -0.16 0.06 0.00 -0.60 0.00 0.00 54.58 54.05 2wfa n ASN 127 Cb 0.29 -3.62 0.01 0.00 -0.53 0.00 0.00 39.78 35.93 2wfa n ASN 127 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2wfa n LEU 128 N -2.73 1.54 -0.29 1.20 4.77 0.18 -4.71 117.00 116.97 2wfa n LEU 128 Ca -0.10 -0.84 0.07 0.00 -0.03 0.00 0.00 56.01 55.11 2wfa n LEU 128 Cb 0.60 0.00 0.29 0.00 -2.33 0.00 0.00 43.42 41.97 2wfa n LEU 128 CO 0.30 0.30 1.24 0.74 -1.33 0.00 0.00 177.39 178.64 2wfa h THR 129 N 1.65 0.98 0.00 -5.08 2.02 -1.88 -1.99 112.91 108.61 2wfa h THR 129 Ca 0.00 -0.31 0.00 0.00 0.77 0.00 0.00 66.41 66.87 2wfa h THR 129 Cb 0.43 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.84 2wfa h THR 129 CO 0.00 0.17 0.00 1.23 0.37 0.00 0.00 175.52 177.29 2wfa h GLY 130 N 0.91 0.00 1.46 2.16 0.00 -1.93 -2.42 103.07 103.24 2wfa h GLY 130 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.74 2wfa h GLY 130 CO -0.17 0.00 -0.50 -0.97 0.00 0.00 0.00 176.54 174.89 2wfa h TYR 131 N 0.00 0.00 -3.38 5.60 -1.99 -1.71 -3.47 116.97 112.02 2wfa h TYR 131 Ca 0.00 0.00 -0.58 0.00 2.00 0.00 0.00 58.73 60.15 2wfa h TYR 131 Cb 0.35 0.00 -0.09 0.00 2.00 0.00 0.00 36.73 38.99 2wfa h TYR 131 CO 0.00 0.00 -0.05 -0.06 -0.00 0.00 0.00 178.16 178.05 2wfa s PHE 132 N -3.25 3.46 -0.10 4.88 0.40 -0.91 -4.64 117.98 117.82 2wfa s PHE 132 Ca 0.04 0.90 0.14 0.00 -0.60 0.00 0.00 56.93 57.42 2wfa s PHE 132 Cb 0.09 -2.65 -0.07 0.00 0.51 0.00 0.00 43.02 40.91 2wfa s PHE 132 CO 0.72 0.04 1.14 -0.44 0.70 0.00 0.00 175.22 177.37 2wfa h ASP 133 N 7.03 0.00 -5.02 1.36 3.32 -1.00 -3.48 116.42 118.63 2wfa h ASP 133 Ca -0.38 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.62 2wfa h ASP 133 Cb 1.17 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.57 2wfa h ASP 133 CO 0.75 0.63 0.10 0.00 -1.72 0.00 0.00 179.24 179.00 2wfa s ALA 134 N -2.89 -1.43 -0.14 3.45 0.00 -1.15 -4.90 121.76 114.70 2wfa s ALA 134 Ca 0.00 0.61 0.00 0.00 0.00 0.00 0.00 51.96 52.58 2wfa s ALA 134 Cb 0.08 0.50 0.03 0.00 0.00 0.00 0.00 23.12 23.73 2wfa s ALA 134 CO 0.79 -0.57 -0.11 0.42 0.00 0.00 0.00 175.76 176.28 2wfa s ILE 135 N -2.76 1.37 -0.01 0.00 1.01 -1.26 -1.60 121.20 117.93 2wfa s ILE 135 Ca -0.04 -0.54 -0.30 0.00 0.00 0.00 0.00 60.65 59.78 2wfa s ILE 135 Cb -0.00 -1.33 -0.04 0.00 0.01 0.00 0.00 42.46 41.09 2wfa s ILE 135 CO -0.04 0.39 1.27 0.00 0.00 0.00 0.00 174.94 176.56 2wfa s ALA 136 N 1.57 3.51 -0.36 9.38 0.00 -0.30 -4.94 121.76 130.61 2wfa s ALA 136 Ca 0.04 0.75 -0.26 0.00 0.00 0.00 0.00 51.96 52.50 2wfa s ALA 136 Cb -0.13 -3.53 0.01 0.00 0.00 0.00 0.00 23.12 19.48 2wfa s ALA 136 CO -0.10 -0.75 0.93 0.34 0.00 0.00 0.00 175.76 176.19 2wfa s ASP 137 N 1.52 6.71 0.44 0.00 3.68 -1.26 -4.59 116.67 123.17 2wfa s ASP 137 Ca 0.59 0.65 0.30 0.00 2.13 0.00 0.00 52.55 56.23 2wfa s ASP 137 Cb -0.28 -2.47 1.54 0.00 -1.45 0.00 0.00 42.92 40.26 2wfa s ASP 137 CO 0.25 -0.84 1.92 1.55 0.13 0.00 0.00 175.17 178.18 2wfa h PRO 138 N 8.39 0.00 -0.00 4.34 0.13 -1.87 -2.13 132.00 140.85 2wfa h PRO 138 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 2wfa h PRO 138 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2wfa h PRO 138 CO 0.98 0.00 -0.03 0.00 -0.23 0.00 0.00 178.00 178.72 2wfa n ALA 139 N -1.90 2.57 0.24 -0.56 0.00 -1.26 -3.58 120.51 116.02 2wfa n ALA 139 Ca -0.01 -0.18 0.07 0.00 0.00 0.00 0.00 53.44 53.32 2wfa n ALA 139 Cb 0.11 -1.45 -0.10 0.00 0.00 0.00 0.00 19.45 18.01 2wfa n ALA 139 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2wfa n GLU 140 N -1.19 1.07 -2.87 0.00 0.00 -0.80 -4.98 120.64 111.86 2wfa n GLU 140 Ca 0.15 -0.09 -0.40 0.00 0.00 0.00 0.00 57.16 56.82 2wfa n GLU 140 Cb 0.25 -1.30 -0.06 0.00 0.00 0.00 0.00 31.44 30.33 2wfa n GLU 140 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.13 177.27 2wfa s VAL 141 N -2.80 4.24 0.25 6.31 -7.23 -1.23 -4.98 120.40 114.96 2wfa s VAL 141 Ca -0.02 1.88 0.12 0.00 -1.81 0.00 0.00 61.98 62.16 2wfa s VAL 141 Cb 0.10 -4.23 -0.00 0.00 0.56 0.00 0.00 36.38 32.81 2wfa s VAL 141 CO 0.61 0.51 1.62 0.00 -0.31 0.00 0.00 175.10 177.53 2wfa h ALA 142 N 4.30 0.96 -3.65 1.32 0.00 -1.94 -3.45 119.26 116.81 2wfa h ALA 142 Ca -0.46 -0.53 -0.27 0.00 0.00 0.00 0.00 54.91 53.65 2wfa h ALA 142 Cb 1.20 -0.09 -0.30 0.00 0.00 0.00 0.00 17.79 18.59 2wfa h ALA 142 CO 0.67 0.73 -0.73 0.00 0.00 0.00 0.00 179.25 179.93 2wfa s ALA 143 N -3.58 0.08 0.79 0.00 0.00 -1.26 -5.16 121.76 112.62 2wfa s ALA 143 Ca -0.01 0.10 -0.12 0.00 0.00 0.00 0.00 51.96 51.94 2wfa s ALA 143 Cb 0.12 -0.12 0.06 0.00 0.00 0.00 0.00 23.12 23.19 2wfa s ALA 143 CO 0.75 -0.03 1.12 -1.54 0.00 0.00 0.00 175.76 176.05 2wfa s SER 144 N 0.43 4.67 0.28 0.00 1.04 -1.26 -4.51 113.70 114.35 2wfa s SER 144 Ca -0.04 1.10 -0.30 0.00 0.48 0.00 0.00 55.95 57.20 2wfa s SER 144 Cb -0.06 -1.79 -0.13 0.00 0.10 0.00 0.00 66.02 64.14 2wfa s SER 144 CO -0.01 -1.83 1.29 0.29 0.98 0.00 0.00 173.24 173.96 2wfa n LYS 145 N -3.32 1.91 0.00 4.02 5.02 -1.26 -0.66 118.16 123.88 2wfa n LYS 145 Ca 0.07 0.68 0.09 0.00 -2.02 0.00 0.00 58.31 57.13 2wfa n LYS 145 Cb 0.58 -2.25 0.56 0.00 -0.02 0.00 0.00 35.03 33.90 2wfa n LYS 145 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 2wfa n PRO 146 N 1.27 0.99 -1.83 1.97 -0.04 -1.26 -4.92 135.00 131.17 2wfa n PRO 146 Ca 0.09 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.14 2wfa n PRO 146 Cb 0.33 -1.30 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 2wfa n PRO 146 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wfa s ALA 147 N -2.00 3.46 -1.51 0.55 0.00 0.16 -2.98 121.76 119.44 2wfa s ALA 147 Ca 0.28 1.51 0.27 0.00 0.00 0.00 0.00 51.96 54.02 2wfa s ALA 147 Cb 0.13 -3.59 1.38 0.00 0.00 0.00 0.00 23.12 21.04 2wfa s ALA 147 CO 0.22 -1.07 1.91 -0.35 0.00 0.00 0.00 175.76 176.48 2wfa n PRO 148 N 0.27 0.45 -0.29 0.00 -0.04 -1.26 -4.39 135.00 129.74 2wfa n PRO 148 Ca 0.02 0.03 0.06 0.00 -0.04 0.00 0.00 63.50 63.57 2wfa n PRO 148 Cb 0.40 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.52 2wfa n PRO 148 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2wfa h ASP 149 N 0.00 -0.55 0.07 3.54 3.45 -1.89 -0.99 116.42 120.04 2wfa h ASP 149 Ca 0.00 0.23 -0.11 0.00 0.43 0.00 0.00 57.03 57.58 2wfa h ASP 149 Cb 0.21 0.44 -0.01 0.00 -0.56 0.00 0.00 39.33 39.41 2wfa h ASP 149 CO 0.00 -0.25 -0.37 -0.29 -1.57 0.00 0.00 179.24 176.76 2wfa h ILE 150 N 0.04 1.30 -0.04 0.35 2.10 -1.81 -0.74 117.51 118.71 2wfa h ILE 150 Ca 0.44 -1.47 -0.22 0.00 1.08 0.00 0.00 64.86 64.68 2wfa h ILE 150 Cb 0.76 1.56 0.00 0.00 -1.09 0.00 0.00 36.82 38.05 2wfa h ILE 150 CO -0.79 0.46 -0.88 -0.26 -1.08 0.00 0.00 178.15 175.59 2wfa h PHE 151 N 0.35 0.72 -0.33 2.19 -1.00 -1.54 -1.35 116.94 115.99 2wfa h PHE 151 Ca 0.04 -0.36 -0.00 0.00 2.81 0.00 0.00 57.97 60.45 2wfa h PHE 151 Cb 0.81 -0.09 -0.02 0.00 3.61 0.00 0.00 35.95 40.26 2wfa h PHE 151 CO 0.02 1.17 0.20 0.82 -1.61 0.00 0.00 178.31 178.92 2wfa h ILE 152 N 0.31 1.11 -0.83 -0.55 2.04 -1.18 -1.11 117.51 117.31 2wfa h ILE 152 Ca -0.07 -0.25 -0.00 0.00 1.00 0.00 0.00 64.86 65.53 2wfa h ILE 152 Cb 1.50 0.69 -0.04 0.00 -0.74 0.00 0.00 36.82 38.23 2wfa h ILE 152 CO 0.16 0.11 0.51 0.00 0.00 0.00 0.00 178.15 178.93 2wfa h ALA 153 N 1.08 1.05 -0.36 1.87 0.00 -1.08 -1.00 119.26 120.82 2wfa h ALA 153 Ca 0.12 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 2wfa h ALA 153 Cb 0.00 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 2wfa h ALA 153 CO -0.02 0.50 0.08 0.00 0.00 0.00 0.00 179.25 179.81 2wfa h ALA 154 N 1.28 0.48 0.21 0.00 0.00 -0.95 -0.63 119.26 119.66 2wfa h ALA 154 Ca 0.30 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2wfa h ALA 154 Cb -0.06 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.59 2wfa h ALA 154 CO -0.06 0.16 -0.10 0.00 0.00 0.00 0.00 179.25 179.25 2wfa h ALA 155 N 0.93 -0.29 -1.00 0.00 0.00 -1.04 -3.11 119.26 114.75 2wfa h ALA 155 Ca 0.11 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.97 2wfa h ALA 155 Cb 0.32 0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.16 2wfa h ALA 155 CO 0.00 -0.64 0.66 0.45 0.00 0.00 0.00 179.25 179.72 2wfa h HIS 156 N -0.33 1.23 0.00 0.00 3.86 -1.10 -1.61 115.15 117.20 2wfa h HIS 156 Ca -0.03 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2wfa h HIS 156 Cb 0.25 -0.41 -0.00 0.00 1.06 0.00 0.00 27.41 28.31 2wfa h HIS 156 CO -0.05 0.73 -0.00 0.00 0.86 0.00 0.00 177.93 179.46 2wfa h ALA 157 N 1.40 1.15 -0.39 2.45 0.00 -1.05 -0.96 119.26 121.86 2wfa h ALA 157 Ca 0.39 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.30 2wfa h ALA 157 Cb -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2wfa h ALA 157 CO -0.12 0.00 0.00 1.33 0.00 0.00 0.00 179.25 180.47 2wfa n VAL 158 N -3.30 1.64 -1.25 0.00 0.24 -0.65 -4.80 118.33 110.21 2wfa n VAL 158 Ca -0.03 -1.35 0.00 0.00 -2.04 0.00 0.00 64.34 60.92 2wfa n VAL 158 Cb 0.08 0.16 0.00 0.00 -1.47 0.00 0.00 33.84 32.60 2wfa n VAL 158 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wfa n GLY 159 N 0.30 0.39 3.33 7.63 0.00 -0.36 -5.02 105.19 111.45 2wfa n GLY 159 Ca 0.18 -1.04 -0.21 0.00 0.00 0.00 0.00 46.02 44.95 2wfa n GLY 159 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2wfa s VAL 160 N -2.00 1.78 0.39 1.61 -7.23 -0.93 -5.01 120.40 109.01 2wfa s VAL 160 Ca 0.00 -1.90 -0.23 0.00 -1.81 0.00 0.00 61.98 58.04 2wfa s VAL 160 Cb 0.00 -1.82 -0.10 0.00 0.56 0.00 0.00 36.38 35.02 2wfa s VAL 160 CO 0.00 -0.32 0.98 0.00 -0.31 0.00 0.00 175.10 175.45 2wfa s ALA 161 N -2.05 3.09 0.47 1.32 0.00 -1.26 -3.18 121.76 120.15 2wfa s ALA 161 Ca 0.15 0.54 0.21 0.00 0.00 0.00 0.00 51.96 52.86 2wfa s ALA 161 Cb -0.06 -3.20 1.22 0.00 0.00 0.00 0.00 23.12 21.08 2wfa s ALA 161 CO 0.06 0.01 1.92 -1.35 0.00 0.00 0.00 175.76 176.40 2wfa h PRO 162 N 2.43 0.23 0.00 0.00 0.11 -1.90 -0.43 132.00 132.44 2wfa h PRO 162 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2wfa h PRO 162 Cb 1.20 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2wfa h PRO 162 CO 0.62 0.15 0.00 0.66 -0.21 0.00 0.00 178.00 179.23 2wfa h SER 163 N 0.24 0.00 -0.41 -2.05 4.64 -1.82 -0.51 113.55 113.63 2wfa h SER 163 Ca 0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 2wfa h SER 163 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 2wfa h SER 163 CO -0.08 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.26 2wfa n GLU 164 N -2.30 2.18 -4.32 4.77 1.02 -0.17 -4.89 120.64 116.94 2wfa n GLU 164 Ca -0.01 -1.81 -0.22 0.00 -0.02 0.00 0.00 57.16 55.10 2wfa n GLU 164 Cb 0.06 -1.43 -0.11 0.00 -0.02 0.00 0.00 31.44 29.93 2wfa n GLU 164 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2wfa s SER 165 N -1.25 2.60 -0.11 1.62 0.01 -0.21 -0.15 113.70 116.21 2wfa s SER 165 Ca 0.36 -0.83 -0.02 0.00 1.31 0.00 0.00 55.95 56.76 2wfa s SER 165 Cb 0.19 -0.15 -0.03 0.00 0.21 0.00 0.00 66.02 66.25 2wfa s SER 165 CO 0.26 -0.03 -0.02 -0.63 0.41 0.00 0.00 173.24 173.23 2wfa s ILE 166 N -1.94 4.09 -0.11 1.44 1.01 -0.73 -1.27 121.20 123.69 2wfa s ILE 166 Ca 0.14 -0.31 -0.03 0.00 0.00 0.00 0.00 60.65 60.45 2wfa s ILE 166 Cb -0.06 -2.75 -0.03 0.00 0.01 0.00 0.00 42.46 39.63 2wfa s ILE 166 CO 0.06 0.56 -0.01 -0.83 0.00 0.00 0.00 174.94 174.72 2wfa s GLY 167 N -0.35 1.82 -0.17 6.18 0.00 0.15 -0.15 107.32 114.79 2wfa s GLY 167 Ca 0.06 -0.81 -0.01 0.00 0.00 0.00 0.00 44.72 43.96 2wfa s GLY 167 CO 0.02 -0.40 -0.10 1.08 0.00 0.00 0.00 173.10 173.70 2wfa s LEU 168 N -0.47 2.74 0.00 0.66 1.43 -0.64 -1.31 118.68 121.10 2wfa s LEU 168 Ca 0.08 -0.38 -0.10 0.00 -1.03 0.00 0.00 54.13 52.71 2wfa s LEU 168 Cb -0.12 -1.65 0.01 0.00 0.03 0.00 0.00 46.19 44.46 2wfa s LEU 168 CO 0.02 0.08 0.20 -1.61 0.23 0.00 0.00 176.35 175.27 2wfa s GLU 169 N 0.86 0.58 0.00 1.70 0.41 -1.21 -2.17 118.70 118.86 2wfa s GLU 169 Ca -0.03 -0.38 0.12 0.00 -0.41 0.00 0.00 54.97 54.27 2wfa s GLU 169 Cb -0.15 0.24 -0.02 0.00 -1.78 0.00 0.00 34.13 32.42 2wfa s GLU 169 CO 0.00 -0.15 0.68 -0.40 -0.49 0.00 0.00 175.26 174.90 2wfa n ASP 170 N 1.26 1.22 -4.49 -0.19 5.75 -1.26 -1.28 116.55 117.56 2wfa n ASP 170 Ca -0.22 -1.11 -0.29 0.00 -0.01 0.00 0.00 54.79 53.16 2wfa n ASP 170 Cb 0.56 0.56 -0.11 0.00 -1.03 0.00 0.00 41.12 41.10 2wfa n ASP 170 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 2wfa s SER 171 N -1.64 3.90 0.16 -1.12 1.04 -1.26 -4.87 113.70 109.90 2wfa s SER 171 Ca 0.09 -0.55 -0.13 0.00 0.48 0.00 0.00 55.95 55.84 2wfa s SER 171 Cb 0.10 -0.56 0.06 0.00 0.10 0.00 0.00 66.02 65.72 2wfa s SER 171 CO 0.34 0.18 1.75 -0.61 0.98 0.00 0.00 173.24 175.88 2wfa h GLN 172 N 3.78 0.77 -0.75 4.02 -0.00 -1.88 -1.04 115.11 120.01 2wfa h GLN 172 Ca -0.50 -0.11 0.02 0.00 -0.00 0.00 0.00 58.65 58.06 2wfa h GLN 172 Cb 1.17 -0.14 -0.04 0.00 0.00 0.00 0.00 27.48 28.47 2wfa h GLN 172 CO 0.46 0.63 0.49 0.00 0.00 0.00 0.00 178.83 180.41 2wfa h ALA 173 N 1.10 0.96 -0.47 3.38 0.00 -1.94 -1.33 119.26 120.96 2wfa h ALA 173 Ca 0.19 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.06 2wfa h ALA 173 Cb 0.11 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2wfa h ALA 173 CO -0.02 0.32 0.31 0.78 0.00 0.00 0.00 179.25 180.63 2wfa h GLY 174 N 0.97 0.66 1.00 0.00 0.00 -1.85 -1.36 103.07 102.50 2wfa h GLY 174 Ca 0.28 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.37 2wfa h GLY 174 CO -0.08 0.24 0.44 -2.22 0.00 0.00 0.00 176.54 174.91 2wfa h ILE 175 N 0.63 1.19 -0.50 2.60 1.08 -0.74 -1.63 117.51 120.13 2wfa h ILE 175 Ca 0.17 -0.37 0.02 0.00 -0.39 0.00 0.00 64.86 64.28 2wfa h ILE 175 Cb -0.07 0.20 -0.03 0.00 -3.07 0.00 0.00 36.82 33.86 2wfa h ILE 175 CO -0.04 0.19 0.31 -0.61 -0.69 0.00 0.00 178.15 177.31 2wfa h GLN 176 N 0.93 0.62 -0.62 2.37 5.75 -0.99 -0.96 115.11 122.21 2wfa h GLN 176 Ca 0.25 -0.04 0.04 0.00 -0.15 0.00 0.00 58.65 58.75 2wfa h GLN 176 Cb -0.07 -0.14 -0.04 0.00 1.07 0.00 0.00 27.48 28.30 2wfa h GLN 176 CO -0.05 0.41 0.37 0.00 -2.65 0.00 0.00 178.83 176.90 2wfa h ALA 177 N 1.21 0.81 -0.15 3.38 0.00 -0.91 -0.11 119.26 123.48 2wfa h ALA 177 Ca 0.19 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 2wfa h ALA 177 Cb -0.02 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2wfa h ALA 177 CO -0.07 0.09 0.07 0.82 0.00 0.00 0.00 179.25 180.16 2wfa h ILE 178 N 0.71 1.12 -0.21 0.00 2.04 -0.99 -1.08 117.51 119.10 2wfa h ILE 178 Ca 0.26 -0.34 0.05 0.00 1.00 0.00 0.00 64.86 65.82 2wfa h ILE 178 Cb 0.06 1.08 -0.04 0.00 -0.74 0.00 0.00 36.82 37.18 2wfa h ILE 178 CO -0.12 0.11 -0.07 0.11 0.00 0.00 0.00 178.15 178.18 2wfa h LYS 179 N 0.12 -0.03 0.00 2.37 1.57 -0.83 -2.40 116.57 117.37 2wfa h LYS 179 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2wfa h LYS 179 Cb 0.11 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.43 2wfa h LYS 179 CO -0.01 -0.02 0.00 -0.25 -0.57 0.00 0.00 179.45 178.61 2wfa n ASP 180 N -5.23 0.21 0.11 0.86 10.43 -0.09 -1.97 116.55 120.87 2wfa n ASP 180 Ca -0.02 0.54 -0.02 0.00 2.57 0.00 0.00 54.79 57.86 2wfa n ASP 180 Cb 0.15 -0.59 0.01 0.00 1.84 0.00 0.00 41.12 42.53 2wfa n ASP 180 CO 0.00 0.00 0.00 0.77 -1.07 0.00 0.00 177.20 176.90 2wfa h SER 181 N 0.00 0.00 0.00 -2.24 4.64 -0.68 -3.46 113.55 111.81 2wfa h SER 181 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2wfa h SER 181 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 2wfa h SER 181 CO 0.00 0.74 0.00 0.61 -0.87 0.00 0.00 176.83 177.31 2wfa n GLY 182 N 1.06 0.41 3.84 -0.77 0.00 -0.83 -4.64 105.19 104.26 2wfa n GLY 182 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 2wfa n GLY 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wfa s ALA 183 N -2.00 2.42 -0.27 4.61 0.00 -1.12 -3.80 121.76 121.59 2wfa s ALA 183 Ca 0.00 -0.35 -0.18 0.00 0.00 0.00 0.00 51.96 51.43 2wfa s ALA 183 Cb 0.00 -3.05 -0.02 0.00 0.00 0.00 0.00 23.12 20.04 2wfa s ALA 183 CO 0.00 -1.63 0.53 -1.17 0.00 0.00 0.00 175.76 173.49 2wfa s LEU 184 N -5.67 4.08 0.13 0.00 2.96 -0.40 -4.33 118.68 115.45 2wfa s LEU 184 Ca 0.61 0.48 -0.27 0.00 -0.22 0.00 0.00 54.13 54.73 2wfa s LEU 184 Cb -0.13 -2.68 -0.07 0.00 0.50 0.00 0.00 46.19 43.81 2wfa s LEU 184 CO 0.53 -0.32 0.85 -2.16 -1.32 0.00 0.00 176.35 173.92 2wfa s PRO 185 N 2.35 4.63 -0.21 0.98 0.04 -1.26 -0.67 135.00 140.86 2wfa s PRO 185 Ca 0.22 1.26 0.00 0.00 0.04 0.00 0.00 61.00 62.52 2wfa s PRO 185 Cb -0.16 -3.33 0.05 0.00 0.04 0.00 0.00 34.50 31.11 2wfa s PRO 185 CO 0.10 0.38 -0.06 0.42 0.04 0.00 0.00 177.00 177.87 2wfa s ILE 186 N -0.50 1.40 0.48 0.56 1.01 -0.42 -4.30 121.20 119.43 2wfa s ILE 186 Ca 0.40 -0.99 -0.06 0.00 0.00 0.00 0.00 60.65 60.00 2wfa s ILE 186 Cb -0.23 -1.61 -0.04 0.00 0.01 0.00 0.00 42.46 40.59 2wfa s ILE 186 CO 0.27 0.01 0.80 -0.83 0.00 0.00 0.00 174.94 175.19 2wfa s GLY 187 N 1.48 1.57 -0.13 6.18 0.00 -0.22 -3.36 107.32 112.84 2wfa s GLY 187 Ca -0.03 -0.44 0.01 0.00 0.00 0.00 0.00 44.72 44.26 2wfa s GLY 187 CO -0.07 -0.26 -0.15 0.54 0.00 0.00 0.00 173.10 173.16 2wfa s VAL 188 N -2.72 1.55 0.00 1.40 0.11 -0.41 -1.02 120.40 119.32 2wfa s VAL 188 Ca 0.48 -0.64 0.00 0.00 -2.93 0.00 0.00 61.98 58.89 2wfa s VAL 188 Cb -0.10 -1.43 0.00 0.00 -1.53 0.00 0.00 36.38 33.31 2wfa s VAL 188 CO 0.44 0.45 0.00 0.61 -3.33 0.00 0.00 175.10 173.27 2wfa n GLY 189 N 4.50 0.46 3.22 6.54 0.00 -0.47 -4.44 105.19 115.01 2wfa n GLY 189 Ca -0.18 -1.28 -0.22 0.00 0.00 0.00 0.00 46.02 44.34 2wfa n GLY 189 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wfa s ARG 190 N -1.51 1.09 0.46 1.61 0.52 -1.26 -4.30 118.95 115.56 2wfa s ARG 190 Ca 0.00 -0.96 0.15 0.00 -0.52 0.00 0.00 55.73 54.40 2wfa s ARG 190 Cb 0.00 -1.20 1.06 0.00 0.52 0.00 0.00 34.95 35.33 2wfa s ARG 190 CO 0.00 0.29 2.01 -1.00 0.02 0.00 0.00 175.30 176.62 2wfa h PRO 191 N 4.54 0.00 -0.72 3.54 0.13 -1.97 -1.28 132.00 136.25 2wfa h PRO 191 Ca -0.42 0.00 0.16 0.00 -0.87 0.00 0.00 66.00 64.87 2wfa h PRO 191 Cb 1.18 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.26 2wfa h PRO 191 CO 0.42 0.16 0.49 0.93 -0.23 0.00 0.00 178.00 179.77 2wfa h GLU 192 N 0.00 0.30 0.06 0.86 3.07 -1.97 -0.63 114.58 116.27 2wfa h GLU 192 Ca -0.00 -0.02 -0.38 0.00 -0.50 0.00 0.00 59.36 58.46 2wfa h GLU 192 Cb 0.29 -0.07 -0.04 0.00 -0.84 0.00 0.00 28.75 28.09 2wfa h GLU 192 CO 0.02 0.20 -2.23 -0.25 -1.40 0.00 0.00 179.01 175.36 2wfa n ASP 193 N -4.45 1.97 -0.01 1.42 8.00 -0.62 -4.69 116.55 118.18 2wfa n ASP 193 Ca 0.14 0.05 0.11 0.00 0.71 0.00 0.00 54.79 55.79 2wfa n ASP 193 Cb 0.57 -0.58 -0.17 0.00 -0.02 0.00 0.00 41.12 40.92 2wfa n ASP 193 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2wfa n LEU 194 N -3.35 0.00 0.00 0.64 4.77 -0.58 -4.34 117.00 114.14 2wfa n LEU 194 Ca -0.38 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.60 2wfa n LEU 194 Cb 1.02 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.12 2wfa n LEU 194 CO 0.35 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 2wfa n GLY 195 N 1.27 3.17 1.05 -0.72 0.00 -0.25 -4.81 105.19 104.90 2wfa n GLY 195 Ca -0.04 -1.94 0.10 0.00 0.00 0.00 0.00 46.02 44.15 2wfa n GLY 195 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2wfa n ASP 196 N 0.00 3.34 -0.33 1.61 4.64 -1.26 -4.42 116.55 120.13 2wfa n ASP 196 Ca 0.00 -1.95 0.06 0.00 -1.38 0.00 0.00 54.79 51.52 2wfa n ASP 196 Cb 0.00 -0.26 0.12 0.00 -1.04 0.00 0.00 41.12 39.94 2wfa n ASP 196 CO 0.00 0.00 0.00 -0.90 -0.82 0.00 0.00 177.20 175.48 2wfa n ASP 197 N 1.31 2.66 -4.32 1.67 5.75 -1.26 -5.01 116.55 117.34 2wfa n ASP 197 Ca 0.18 -2.50 -0.17 0.00 -0.01 0.00 0.00 54.79 52.29 2wfa n ASP 197 Cb 0.56 -0.27 -0.10 0.00 -1.03 0.00 0.00 41.12 40.27 2wfa n ASP 197 CO 0.00 0.00 0.00 0.27 -0.11 0.00 0.00 177.20 177.36 2wfa s ILE 198 N -1.88 1.35 0.09 2.12 -0.00 -1.26 -5.12 121.20 116.51 2wfa s ILE 198 Ca 0.22 -2.10 -0.31 0.00 -0.00 0.00 0.00 60.65 58.46 2wfa s ILE 198 Cb 0.17 -2.12 -0.06 0.00 -0.00 0.00 0.00 42.46 40.45 2wfa s ILE 198 CO 0.06 -0.53 1.22 -0.69 -0.00 0.00 0.00 174.94 175.00 2wfa s VAL 199 N -3.21 3.85 -0.01 8.37 1.01 -1.26 -4.95 120.40 124.20 2wfa s VAL 199 Ca 0.23 1.38 0.03 0.00 0.00 0.00 0.00 61.98 63.62 2wfa s VAL 199 Cb 0.03 -3.88 -0.01 0.00 0.00 0.00 0.00 36.38 32.52 2wfa s VAL 199 CO 0.06 0.13 -0.11 -0.63 0.00 0.00 0.00 175.10 174.56 2wfa s ILE 200 N 0.82 0.85 0.13 2.22 1.01 -1.26 -1.05 121.20 123.92 2wfa s ILE 200 Ca 0.58 -0.45 0.06 0.00 0.00 0.00 0.00 60.65 60.84 2wfa s ILE 200 Cb -0.31 -0.72 -0.04 0.00 0.01 0.00 0.00 42.46 41.40 2wfa s ILE 200 CO 0.31 0.24 -0.01 0.68 0.00 0.00 0.00 174.94 176.17 2wfa s VAL 201 N -0.17 3.83 0.20 2.92 -7.23 -0.19 -4.95 120.40 114.81 2wfa s VAL 201 Ca 0.03 -1.22 0.12 0.00 -1.81 0.00 0.00 61.98 59.10 2wfa s VAL 201 Cb -0.05 -2.87 -0.01 0.00 0.56 0.00 0.00 36.38 34.01 2wfa s VAL 201 CO -0.00 0.00 1.58 1.55 -0.31 0.00 0.00 175.10 177.92 2wfa h PRO 202 N 3.07 0.00 -3.44 4.82 0.13 -1.88 -1.24 132.00 133.46 2wfa h PRO 202 Ca -0.48 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.62 2wfa h PRO 202 Cb 1.18 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.24 2wfa h PRO 202 CO 0.58 0.61 0.01 0.16 -0.23 0.00 0.00 178.00 179.13 2wfa s ASP 203 N -6.70 -0.06 0.18 1.44 1.47 -1.26 -3.99 116.67 107.74 2wfa s ASP 203 Ca -0.00 -0.89 0.24 0.00 1.18 0.00 0.00 52.55 53.07 2wfa s ASP 203 Cb 0.12 0.66 0.91 0.00 -0.34 0.00 0.00 42.92 44.26 2wfa s ASP 203 CO 0.75 -1.26 1.72 0.35 0.68 0.00 0.00 175.17 177.41 2wfa n THR 204 N -0.43 0.68 0.31 2.11 -2.24 -1.26 -2.37 114.28 111.07 2wfa n THR 204 Ca -0.03 0.04 0.20 0.00 -2.27 0.00 0.00 64.05 61.99 2wfa n THR 204 Cb 0.61 -0.87 1.02 0.00 -2.10 0.00 0.00 70.33 68.98 2wfa n THR 204 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2wfa h SER 205 N 0.00 0.00 0.78 3.42 4.64 -1.92 -1.45 113.55 119.01 2wfa h SER 205 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2wfa h SER 205 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 2wfa h SER 205 CO 0.00 0.00 -0.15 1.41 -0.87 0.00 0.00 176.83 177.22 2wfa n HIS 206 N -2.98 0.00 -2.46 4.77 8.25 -1.00 -4.54 115.22 117.26 2wfa n HIS 206 Ca -0.02 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.01 2wfa n HIS 206 Cb 0.13 -0.39 0.00 0.00 1.12 0.00 0.00 29.99 30.85 2wfa n HIS 206 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2wfa n TYR 207 N -1.44 4.45 -4.12 4.41 0.53 -0.55 -4.80 117.16 115.65 2wfa n TYR 207 Ca 0.08 -2.92 -0.26 0.00 -1.02 0.00 0.00 57.90 53.78 2wfa n TYR 207 Cb 0.33 -2.56 -0.06 0.00 -1.03 0.00 0.00 39.34 36.02 2wfa n TYR 207 CO 0.00 0.00 0.00 0.95 -1.02 0.00 0.00 176.86 176.79 2wfa s THR 208 N 3.68 4.27 0.24 -0.72 -4.23 -1.26 -4.67 115.64 112.94 2wfa s THR 208 Ca 0.51 -1.22 -0.06 0.00 -1.18 0.00 0.00 61.69 59.74 2wfa s THR 208 Cb 0.05 -3.19 0.21 0.00 1.34 0.00 0.00 72.50 70.92 2wfa s THR 208 CO 0.04 -0.14 1.87 0.25 -0.54 0.00 0.00 174.62 176.10 2wfa h LEU 209 N 2.38 0.89 -0.51 4.79 5.85 -1.92 -0.93 115.31 125.85 2wfa h LEU 209 Ca -0.47 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.29 2wfa h LEU 209 Cb 1.21 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 42.01 2wfa h LEU 209 CO 0.62 0.59 0.26 -0.08 -0.34 0.00 0.00 178.44 179.49 2wfa h GLU 210 N 1.04 0.50 -0.20 1.25 4.81 -1.97 -1.01 114.58 118.99 2wfa h GLU 210 Ca 0.36 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.53 2wfa h GLU 210 Cb 0.09 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 2wfa h GLU 210 CO -0.14 0.33 0.02 0.35 -0.73 0.00 0.00 179.01 178.83 2wfa h PHE 211 N 0.52 0.38 -0.99 0.92 3.57 -1.71 -1.60 116.94 118.02 2wfa h PHE 211 Ca 0.22 -0.06 0.09 0.00 3.53 0.00 0.00 57.97 61.76 2wfa h PHE 211 Cb 0.13 -0.10 -0.07 0.00 2.79 0.00 0.00 35.95 38.69 2wfa h PHE 211 CO -0.10 0.52 0.64 -0.07 -2.23 0.00 0.00 178.31 177.06 2wfa h LEU 212 N 0.13 0.97 -0.38 0.59 3.38 -0.95 -0.64 115.31 118.41 2wfa h LEU 212 Ca 0.06 0.03 -0.11 0.00 0.09 0.00 0.00 57.88 57.95 2wfa h LEU 212 Cb 0.35 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 2wfa h LEU 212 CO 0.01 0.58 -0.18 0.11 0.09 0.00 0.00 178.44 179.04 2wfa h LYS 213 N 1.08 0.80 -0.55 1.13 1.57 -0.99 -1.30 116.57 118.31 2wfa h LYS 213 Ca 0.46 -0.35 -0.01 0.00 -1.87 0.00 0.00 60.65 58.88 2wfa h LYS 213 Cb 0.32 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.58 2wfa h LYS 213 CO -0.21 0.97 0.31 0.93 -0.57 0.00 0.00 179.45 180.88 2wfa h GLU 214 N 0.60 0.76 -0.48 3.15 5.08 -0.78 -1.69 114.58 121.23 2wfa h GLU 214 Ca 0.09 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 2wfa h GLU 214 Cb 0.73 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 2wfa h GLU 214 CO 0.06 0.58 0.09 0.28 -1.00 0.00 0.00 179.01 179.01 2wfa h VAL 215 N 0.74 1.25 -0.36 3.13 2.07 -1.04 -0.51 116.25 121.52 2wfa h VAL 215 Ca 0.20 -0.89 0.05 0.00 0.82 0.00 0.00 66.70 66.87 2wfa h VAL 215 Cb 0.03 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 30.66 2wfa h VAL 215 CO -0.03 0.32 0.10 -0.25 0.02 0.00 0.00 177.57 177.73 2wfa h TRP 216 N 0.66 0.18 -0.52 1.57 2.91 -1.03 -0.52 115.95 119.20 2wfa h TRP 216 Ca 0.15 0.02 -0.10 0.00 1.13 0.00 0.00 58.89 60.08 2wfa h TRP 216 Cb 0.37 -0.03 -0.02 0.00 -0.51 0.00 0.00 29.16 28.98 2wfa h TRP 216 CO 0.03 0.06 -0.08 -0.07 -1.03 0.00 0.00 178.44 177.35 2wfa h LEU 217 N 0.24 0.97 -1.39 0.65 3.38 -1.13 -2.80 115.31 115.23 2wfa h LEU 217 Ca 0.17 -0.34 -0.05 0.00 0.09 0.00 0.00 57.88 57.75 2wfa h LEU 217 Cb 0.16 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 2wfa h LEU 217 CO -0.19 1.09 -0.09 1.56 0.09 0.00 0.00 178.44 180.89 2wfa h GLN 218 N 0.84 0.29 0.00 1.13 4.20 -0.82 -3.15 115.11 117.60 2wfa h GLN 218 Ca 0.14 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.79 2wfa h GLN 218 Cb 0.63 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.37 2wfa h GLN 218 CO 0.04 0.40 -0.18 0.87 -0.67 0.00 0.00 178.83 179.29 2wfa h LYS 219 N 0.28 0.00 -1.62 1.46 6.56 -0.84 -3.19 116.57 119.23 2wfa h LYS 219 Ca 0.06 0.00 -0.68 0.00 -1.06 0.00 0.00 60.65 58.97 2wfa h LYS 219 Cb 0.35 0.00 -0.33 0.00 -0.57 0.00 0.00 32.23 31.67 2wfa h LYS 219 CO 0.02 0.00 0.32 1.04 -2.06 0.00 0.00 179.45 178.77 2wfa n GLN 220 N -2.41 3.03 0.00 3.15 6.02 -1.13 -5.09 117.38 120.95 2wfa n GLN 220 Ca 0.05 -3.86 0.00 0.00 -0.01 0.00 0.00 57.00 53.18 2wfa n GLN 220 Cb 0.46 -2.27 0.00 0.00 1.02 0.00 0.00 30.24 29.45 2wfa n GLN 220 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22