#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wpo n ALA 10 N 0.00 0.00 0.79 1.69 0.00 -1.26 -4.84 120.51 116.90 1wpo n ALA 10 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1wpo n ALA 10 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1wpo n ALA 10 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1wpo n VAL 11 N 0.00 0.38 -3.75 0.00 0.31 -1.26 -4.59 118.33 109.42 1wpo n VAL 11 Ca 0.00 0.00 -0.36 0.00 -0.01 0.00 0.00 64.34 63.97 1wpo n VAL 11 Cb 0.00 -0.64 -0.06 0.00 -0.91 0.00 0.00 33.84 32.24 1wpo n VAL 11 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1wpo s ALA 12 N -0.41 3.83 0.65 3.52 0.00 -1.26 -4.96 121.76 123.13 1wpo s ALA 12 Ca 0.00 -0.54 -0.18 0.00 0.00 0.00 0.00 51.96 51.24 1wpo s ALA 12 Cb 0.00 -2.09 -0.01 0.00 0.00 0.00 0.00 23.12 21.02 1wpo s ALA 12 CO 0.00 0.62 1.24 -2.30 0.00 0.00 0.00 175.76 175.32 1wpo n PRO 13 N 1.39 1.05 -4.81 0.00 -0.02 -1.26 -4.97 135.00 126.37 1wpo n PRO 13 Ca -0.13 0.41 -0.33 0.00 -2.02 0.00 0.00 63.50 61.43 1wpo n PRO 13 Cb 0.53 -2.48 -0.14 0.00 -0.02 0.00 0.00 33.50 31.39 1wpo n PRO 13 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1wpo s VAL 14 N -1.43 3.01 0.16 -1.45 1.01 -0.87 -4.79 120.40 116.05 1wpo s VAL 14 Ca 0.82 -0.68 -0.05 0.00 0.00 0.00 0.00 61.98 62.06 1wpo s VAL 14 Cb -0.38 -2.25 -0.06 0.00 0.00 0.00 0.00 36.38 33.69 1wpo s VAL 14 CO 0.41 0.53 0.41 -0.31 0.00 0.00 0.00 175.10 176.14 1wpo s TYR 15 N 0.25 3.47 -0.02 5.22 1.51 0.09 -0.37 117.35 127.49 1wpo s TYR 15 Ca -0.09 0.60 0.01 0.00 -1.01 0.00 0.00 57.07 56.58 1wpo s TYR 15 Cb -0.16 -2.04 0.01 0.00 -0.11 0.00 0.00 41.96 39.67 1wpo s TYR 15 CO 0.05 0.40 -0.03 0.54 -1.11 0.00 0.00 175.55 175.40 1wpo s VAL 16 N -1.70 0.36 -0.00 0.71 0.11 -0.15 -1.55 120.40 118.18 1wpo s VAL 16 Ca 0.42 -0.10 -0.08 0.00 -2.93 0.00 0.00 61.98 59.30 1wpo s VAL 16 Cb -0.12 -0.37 0.00 0.00 -1.53 0.00 0.00 36.38 34.36 1wpo s VAL 16 CO 0.24 0.15 0.15 -0.83 -3.33 0.00 0.00 175.10 171.49 1wpo s GLY 17 N 0.51 0.02 0.00 6.54 0.00 -0.56 0.56 107.32 114.39 1wpo s GLY 17 Ca -0.06 -0.05 0.00 0.00 0.00 0.00 0.00 44.72 44.61 1wpo s GLY 17 CO -0.01 -0.19 0.00 0.61 0.00 0.00 0.00 173.10 173.52 1wpo n GLY 18 N 1.56 -0.19 3.77 0.20 0.00 -0.71 -0.96 105.19 108.86 1wpo n GLY 18 Ca -0.22 -0.98 -0.39 0.00 0.00 0.00 0.00 46.02 44.43 1wpo n GLY 18 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1wpo s PHE 19 N -2.00 3.76 -0.54 1.61 0.40 -1.26 -0.87 117.98 119.08 1wpo s PHE 19 Ca 0.00 1.39 0.23 0.00 -0.60 0.00 0.00 56.93 57.95 1wpo s PHE 19 Cb 0.00 -2.70 0.11 0.00 0.51 0.00 0.00 43.02 40.94 1wpo s PHE 19 CO 0.00 0.38 1.09 1.28 0.70 0.00 0.00 175.22 178.67 1wpo n LEU 20 N 2.41 0.65 -3.61 -0.37 4.77 0.10 -4.24 117.00 116.71 1wpo n LEU 20 Ca -0.05 0.10 -0.11 0.00 -0.03 0.00 0.00 56.01 55.92 1wpo n LEU 20 Cb 0.50 -0.11 -0.06 0.00 -2.33 0.00 0.00 43.42 41.42 1wpo n LEU 20 CO 0.45 -0.02 0.69 0.00 -1.33 0.00 0.00 177.39 177.18 1wpo s ALA 21 N -3.23 -1.92 -0.22 -1.18 0.00 -1.25 -4.60 121.76 109.37 1wpo s ALA 21 Ca 0.03 1.74 0.00 0.00 0.00 0.00 0.00 51.96 53.74 1wpo s ALA 21 Cb 0.13 -1.03 0.03 0.00 0.00 0.00 0.00 23.12 22.25 1wpo s ALA 21 CO 0.78 -0.28 -0.13 1.03 0.00 0.00 0.00 175.76 177.16 1wpo s ARG 22 N -0.34 2.83 0.00 0.00 1.81 -1.26 -0.48 118.95 121.51 1wpo s ARG 22 Ca -0.00 -0.96 0.03 0.00 -1.72 0.00 0.00 55.73 53.08 1wpo s ARG 22 Cb -0.03 -2.78 0.18 0.00 -0.45 0.00 0.00 34.95 31.87 1wpo s ARG 22 CO -0.01 -0.33 0.53 0.66 -0.68 0.00 0.00 175.30 175.47 1wpo n TYR 23 N 4.61 0.00 0.11 -0.53 4.01 -0.83 -1.29 117.16 123.24 1wpo n TYR 23 Ca -0.18 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.57 1wpo n TYR 23 Cb 0.48 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.50 1wpo n TYR 23 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 1wpo n ASP 24 N -0.65 0.45 -4.54 7.72 5.75 -1.26 -4.95 116.55 119.07 1wpo n ASP 24 Ca 0.02 -0.72 -0.42 0.00 -0.01 0.00 0.00 54.79 53.65 1wpo n ASP 24 Cb 0.01 0.69 -0.03 0.00 -1.03 0.00 0.00 41.12 40.76 1wpo n ASP 24 CO 0.00 0.00 0.00 -1.58 -0.11 0.00 0.00 177.20 175.51 1wpo s GLN 25 N -0.91 3.35 -0.89 0.11 2.00 -0.41 -5.23 119.66 117.69 1wpo s GLN 25 Ca 0.02 -0.14 -0.23 0.00 -2.00 0.00 0.00 55.36 53.00 1wpo s GLN 25 Cb 0.02 -4.07 -0.19 0.00 0.80 0.00 0.00 33.01 29.57 1wpo s GLN 25 CO 0.07 -1.67 2.15 -1.13 -0.50 0.00 0.00 175.29 174.22 1wpo n SER 26 N 8.07 1.09 -3.48 6.67 3.41 -1.26 -4.95 113.62 123.17 1wpo n SER 26 Ca 0.04 -1.91 -0.02 0.00 -0.26 0.00 0.00 58.87 56.71 1wpo n SER 26 Cb 0.48 -1.55 -0.05 0.00 -0.26 0.00 0.00 64.21 62.83 1wpo n SER 26 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1wpo s LEU 33 N 14.18 -1.03 -0.47 1.04 1.43 -1.26 -5.10 118.68 127.46 1wpo s LEU 33 Ca 0.83 1.09 -0.16 0.00 -1.03 0.00 0.00 54.13 54.86 1wpo s LEU 33 Cb -0.13 1.91 0.06 0.00 0.03 0.00 0.00 46.19 48.06 1wpo s LEU 33 CO 0.16 -0.24 0.44 -0.76 0.23 0.00 0.00 176.35 176.17 1wpo s LEU 34 N 2.78 5.43 0.10 1.79 1.02 -1.26 -5.06 118.68 123.48 1wpo s LEU 34 Ca 0.04 -1.19 -0.30 0.00 0.02 0.00 0.00 54.13 52.70 1wpo s LEU 34 Cb -0.13 -2.24 -0.06 0.00 0.02 0.00 0.00 46.19 43.78 1wpo s LEU 34 CO -0.18 -0.68 1.01 -2.84 0.02 0.00 0.00 176.35 173.68 1wpo s PRO 35 N 1.87 4.64 0.27 1.29 0.02 -1.26 -4.90 135.00 136.93 1wpo s PRO 35 Ca 0.07 1.52 -0.05 0.00 0.02 0.00 0.00 61.00 62.55 1wpo s PRO 35 Cb -0.23 -3.37 0.51 0.00 0.02 0.00 0.00 34.50 31.44 1wpo s PRO 35 CO 0.08 0.11 1.59 -0.09 -0.33 0.00 0.00 177.00 178.37 1wpo h ARG 36 N 5.77 0.03 -0.70 5.54 9.65 -1.97 -0.54 114.38 132.16 1wpo h ARG 36 Ca -0.43 -0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 58.41 1wpo h ARG 36 Cb 1.21 -0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 29.75 1wpo h ARG 36 CO 0.73 0.02 0.28 0.22 2.80 0.00 0.00 179.97 184.03 1wpo h ASP 37 N 0.03 0.94 0.05 -3.80 3.58 -1.99 -2.66 116.42 112.57 1wpo h ASP 37 Ca 0.48 -0.13 -0.08 0.00 0.42 0.00 0.00 57.03 57.71 1wpo h ASP 37 Cb 0.85 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 41.66 1wpo h ASP 37 CO -0.85 0.84 -0.37 -0.37 -2.88 0.00 0.00 179.24 175.60 1wpo h VAL 38 N 1.01 1.63 -0.38 2.25 -1.51 -1.52 -3.02 116.25 114.72 1wpo h VAL 38 Ca 0.24 -2.40 0.06 0.00 -1.23 0.00 0.00 66.70 63.37 1wpo h VAL 38 Cb 0.18 3.25 -0.02 0.00 -2.13 0.00 0.00 31.29 32.57 1wpo h VAL 38 CO -0.02 0.63 0.26 -0.37 -1.23 0.00 0.00 177.57 176.84 1wpo h VAL 39 N -0.78 0.94 -0.44 7.19 -1.51 -1.50 -1.35 116.25 118.79 1wpo h VAL 39 Ca -0.07 -0.09 -0.11 0.00 -1.23 0.00 0.00 66.70 65.19 1wpo h VAL 39 Cb 1.24 0.66 -0.02 0.00 -2.13 0.00 0.00 31.29 31.05 1wpo h VAL 39 CO 0.04 0.05 -0.19 -0.33 -1.23 0.00 0.00 177.57 175.91 1wpo h GLU 40 N 0.26 0.86 0.00 5.19 5.08 -1.54 -2.82 114.58 121.61 1wpo h GLU 40 Ca 0.17 -0.33 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 1wpo h GLU 40 Cb 0.34 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1wpo h GLU 40 CO -0.03 0.97 -1.23 1.58 -1.00 0.00 0.00 179.01 179.30 1wpo n HIS 41 N -4.12 0.69 0.04 4.33 -0.00 -0.54 0.11 115.22 115.72 1wpo n HIS 41 Ca 0.01 0.20 -0.13 0.00 0.46 0.00 0.00 57.72 58.26 1wpo n HIS 41 Cb 0.42 -0.81 -0.14 0.00 -0.12 0.00 0.00 29.99 29.35 1wpo n HIS 41 CO 0.00 0.00 0.00 0.11 0.46 0.00 0.00 176.34 176.91 1wpo h TRP 42 N 0.00 0.23 0.00 1.57 5.08 -1.60 -3.39 115.95 117.85 1wpo h TRP 42 Ca 0.00 -0.17 0.00 0.00 1.08 0.00 0.00 58.89 59.80 1wpo h TRP 42 Cb 0.97 -0.01 0.00 0.00 -3.00 0.00 0.00 29.16 27.13 1wpo h TRP 42 CO 0.00 1.21 -0.29 -0.11 -1.28 0.00 0.00 178.44 177.97 1wpo n LEU 43 N -3.33 0.61 0.21 0.11 7.94 -1.08 -4.82 117.00 116.65 1wpo n LEU 43 Ca -0.13 0.10 0.06 0.00 -1.11 0.00 0.00 56.01 54.93 1wpo n LEU 43 Cb 1.02 -0.52 0.46 0.00 0.53 0.00 0.00 43.42 44.91 1wpo n LEU 43 CO 0.48 -0.44 0.80 -0.74 -1.11 0.00 0.00 177.39 176.37 1wpo h HIS 44 N -0.29 0.00 -0.29 1.96 2.76 -0.53 -3.50 115.15 115.26 1wpo h HIS 44 Ca 0.00 0.00 -0.24 0.00 -2.20 0.00 0.00 60.37 57.93 1wpo h HIS 44 Cb 0.29 0.00 -0.29 0.00 1.55 0.00 0.00 27.41 28.96 1wpo h HIS 44 CO -0.12 0.29 -0.85 0.00 -1.30 0.00 0.00 177.93 175.95 1wpo n ALA 45 N -2.39 3.48 0.00 5.26 0.00 0.30 -4.96 120.51 122.19 1wpo n ALA 45 Ca -0.02 -3.09 0.00 0.00 0.00 0.00 0.00 53.44 50.33 1wpo n ALA 45 Cb 0.37 -0.55 0.00 0.00 0.00 0.00 0.00 19.45 19.27 1wpo n ALA 45 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1wpo n VAL 55 N -0.52 0.00 -3.51 0.00 3.14 -1.26 -4.77 118.33 111.41 1wpo n VAL 55 Ca 0.20 0.00 -0.35 0.00 -2.96 0.00 0.00 64.34 61.23 1wpo n VAL 55 Cb 0.90 0.00 -0.06 0.00 -1.06 0.00 0.00 33.84 33.62 1wpo n VAL 55 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1wpo s ALA 56 N 0.00 3.68 0.12 1.55 0.00 -1.26 -5.03 121.76 120.83 1wpo s ALA 56 Ca 0.00 -0.29 -0.35 0.00 0.00 0.00 0.00 51.96 51.31 1wpo s ALA 56 Cb 0.00 -2.35 -0.15 0.00 0.00 0.00 0.00 23.12 20.62 1wpo s ALA 56 CO 0.00 0.53 1.46 1.28 0.00 0.00 0.00 175.76 179.03 1wpo n LEU 57 N 1.00 2.39 -4.79 0.00 4.77 -1.26 -4.77 117.00 114.34 1wpo n LEU 57 Ca -0.08 1.10 -0.32 0.00 -0.03 0.00 0.00 56.01 56.68 1wpo n LEU 57 Cb 0.52 -1.31 0.03 0.00 -2.33 0.00 0.00 43.42 40.33 1wpo n LEU 57 CO 0.42 -0.65 0.72 -2.16 -1.33 0.00 0.00 177.39 174.38 1wpo s PRO 58 N 0.71 3.01 -0.23 3.23 0.04 -1.26 -0.58 135.00 139.92 1wpo s PRO 58 Ca 0.82 1.24 -0.04 0.00 0.04 0.00 0.00 61.00 63.05 1wpo s PRO 58 Cb -0.81 -1.99 -0.01 0.00 0.04 0.00 0.00 34.50 31.73 1wpo s PRO 58 CO 0.42 -1.06 -0.03 -1.17 0.04 0.00 0.00 177.00 175.20 1wpo s LEU 59 N -4.86 2.98 0.38 -3.56 2.96 0.11 -2.62 118.68 114.07 1wpo s LEU 59 Ca 0.64 -0.41 0.04 0.00 -0.22 0.00 0.00 54.13 54.17 1wpo s LEU 59 Cb -0.17 -1.75 -0.04 0.00 0.50 0.00 0.00 46.19 44.72 1wpo s LEU 59 CO 0.42 -0.03 0.09 0.54 -1.32 0.00 0.00 176.35 176.05 1wpo s ASN 60 N 1.48 2.70 -0.33 3.68 2.20 -0.82 0.47 114.94 124.32 1wpo s ASN 60 Ca 0.05 -1.54 -0.17 0.00 -0.94 0.00 0.00 52.86 50.26 1wpo s ASN 60 Cb -0.14 0.25 -0.01 0.00 -2.00 0.00 0.00 41.25 39.34 1wpo s ASN 60 CO -0.03 -0.78 0.47 -0.63 -2.94 0.00 0.00 177.10 173.19 1wpo s ILE 61 N -3.23 5.06 -1.63 0.54 -1.09 0.68 -0.48 121.20 121.06 1wpo s ILE 61 Ca 0.28 0.34 -0.17 0.00 -2.23 0.00 0.00 60.65 58.88 1wpo s ILE 61 Cb 0.05 -3.90 0.13 0.00 -1.58 0.00 0.00 42.46 37.16 1wpo s ILE 61 CO 0.14 -0.14 0.87 0.59 -1.23 0.00 0.00 174.94 175.18 1wpo n ASN 62 N 5.62 -4.03 0.00 3.58 4.13 0.11 -1.27 115.26 123.40 1wpo n ASN 62 Ca -0.06 -0.89 0.00 0.00 1.68 0.00 0.00 54.58 55.31 1wpo n ASN 62 Cb 0.49 -3.25 0.00 0.00 -1.54 0.00 0.00 39.78 35.48 1wpo n ASN 62 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95 1wpo n HIS 63 N -4.51 0.00 -2.67 3.10 8.25 -1.26 -4.97 115.22 113.16 1wpo n HIS 63 Ca 0.06 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.10 1wpo n HIS 63 Cb 0.50 -0.66 -0.03 0.00 1.12 0.00 0.00 29.99 30.93 1wpo n HIS 63 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1wpo s ASP 64 N -2.21 6.52 0.22 0.41 -1.08 -0.40 -4.88 116.67 115.25 1wpo s ASP 64 Ca 0.00 0.20 0.13 0.00 -0.52 0.00 0.00 52.55 52.36 1wpo s ASP 64 Cb 0.00 -2.52 0.72 0.00 -1.46 0.00 0.00 42.92 39.67 1wpo s ASP 64 CO 0.00 -1.28 1.38 -0.90 0.52 0.00 0.00 175.17 174.89 1wpo n ASP 65 N 7.83 0.35 -1.44 -0.34 5.75 -1.26 0.11 116.55 127.55 1wpo n ASP 65 Ca 0.09 0.63 0.10 0.00 -0.01 0.00 0.00 54.79 55.60 1wpo n ASP 65 Cb 0.49 -0.66 0.33 0.00 -1.03 0.00 0.00 41.12 40.25 1wpo n ASP 65 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1wpo n THR 66 N -1.97 1.46 -2.54 2.12 -2.24 -1.26 -4.41 114.28 105.46 1wpo n THR 66 Ca -0.01 -1.12 -0.18 0.00 -2.27 0.00 0.00 64.05 60.47 1wpo n THR 66 Cb 0.08 0.29 0.02 0.00 -2.10 0.00 0.00 70.33 68.62 1wpo n THR 66 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wpo n ALA 67 N 1.29 4.26 -2.66 6.98 0.00 0.12 -1.40 120.51 129.10 1wpo n ALA 67 Ca 0.25 -3.72 -0.42 0.00 0.00 0.00 0.00 53.44 49.55 1wpo n ALA 67 Cb 0.76 -0.70 -0.03 0.00 0.00 0.00 0.00 19.45 19.48 1wpo n ALA 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1wpo s VAL 68 N -4.42 4.81 -1.72 0.00 0.11 -1.26 -0.23 120.40 117.69 1wpo s VAL 68 Ca 0.39 1.74 0.15 0.00 -2.93 0.00 0.00 61.98 61.32 1wpo s VAL 68 Cb 0.42 -4.19 0.17 0.00 -1.53 0.00 0.00 36.38 31.26 1wpo s VAL 68 CO -0.07 -0.06 1.04 1.33 -3.33 0.00 0.00 175.10 174.01 1wpo n VAL 69 N 5.06 0.20 0.00 2.04 0.24 0.18 -2.26 118.33 123.78 1wpo n VAL 69 Ca 0.07 -0.60 0.00 0.00 -2.04 0.00 0.00 64.34 61.77 1wpo n VAL 69 Cb 0.48 1.15 0.00 0.00 -1.47 0.00 0.00 33.84 33.99 1wpo n VAL 69 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1wpo n GLY 70 N 0.83 -0.55 3.36 7.63 0.00 -0.94 -0.64 105.19 114.88 1wpo n GLY 70 Ca 0.10 -0.60 -0.11 0.00 0.00 0.00 0.00 46.02 45.41 1wpo n GLY 70 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1wpo s HIS 71 N -4.00 -0.25 0.10 1.61 -3.43 -1.07 0.09 115.29 108.34 1wpo s HIS 71 Ca 0.00 -0.05 -0.30 0.00 -0.80 0.00 0.00 55.06 53.91 1wpo s HIS 71 Cb 0.00 0.33 -0.06 0.00 -1.43 0.00 0.00 32.58 31.42 1wpo s HIS 71 CO 0.00 -0.75 1.04 0.08 -2.00 0.00 0.00 174.74 173.11 1wpo s VAL 72 N -3.80 4.33 -0.08 -5.38 1.01 0.26 -1.36 120.40 115.38 1wpo s VAL 72 Ca 0.03 1.86 0.21 0.00 0.00 0.00 0.00 61.98 64.08 1wpo s VAL 72 Cb 0.01 -4.19 -0.31 0.00 0.00 0.00 0.00 36.38 31.90 1wpo s VAL 72 CO -0.11 0.25 0.36 0.00 0.00 0.00 0.00 175.10 175.59 1wpo n ALA 73 N 3.06 2.40 -3.28 5.51 0.00 0.74 -4.54 120.51 124.40 1wpo n ALA 73 Ca 0.04 -0.77 0.01 0.00 0.00 0.00 0.00 53.44 52.72 1wpo n ALA 73 Cb 0.48 -0.58 0.01 0.00 0.00 0.00 0.00 19.45 19.36 1wpo n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wpo n ALA 74 N -2.41 -0.73 0.00 0.00 0.00 -0.67 -4.36 120.51 112.34 1wpo n ALA 74 Ca -0.13 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 52.93 1wpo n ALA 74 Cb 0.75 0.26 0.00 0.00 0.00 0.00 0.00 19.45 20.47 1wpo n ALA 74 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1wpo n GLN 76 N -0.21 0.00 -2.87 0.00 -0.06 0.22 -0.60 117.38 113.86 1wpo n GLN 76 Ca -0.02 0.00 -0.41 0.00 -2.00 0.00 0.00 57.00 54.57 1wpo n GLN 76 Cb 0.19 0.00 -0.04 0.00 -4.06 0.00 0.00 30.24 26.34 1wpo n GLN 76 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 1wpo s SER 77 N 0.00 7.00 0.27 1.69 0.15 -1.26 -0.67 113.70 120.88 1wpo s SER 77 Ca 0.00 1.22 0.03 0.00 0.70 0.00 0.00 55.95 57.91 1wpo s SER 77 Cb 0.00 -2.47 -0.01 0.00 -1.71 0.00 0.00 66.02 61.83 1wpo s SER 77 CO 0.00 -0.39 0.11 1.33 1.20 0.00 0.00 173.24 175.49 1wpo n VAL 78 N 4.67 0.00 -0.32 4.45 0.24 -0.59 -4.97 118.33 121.81 1wpo n VAL 78 Ca 0.05 -1.64 -0.00 0.00 -2.04 0.00 0.00 64.34 60.70 1wpo n VAL 78 Cb 0.49 0.63 0.06 0.00 -1.47 0.00 0.00 33.84 33.54 1wpo n VAL 78 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 1wpo h ARG 79 N 0.00 -0.04 0.00 7.34 2.43 -1.96 -2.92 114.38 119.23 1wpo h ARG 79 Ca -0.21 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.96 1wpo h ARG 79 Cb 0.84 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.39 1wpo h ARG 79 CO 0.33 -0.02 -1.03 -0.25 -1.51 0.00 0.00 179.97 177.49 1wpo n ASP 80 N -5.50 0.67 0.00 -3.80 9.92 -1.26 -4.93 116.55 111.65 1wpo n ASP 80 Ca 0.10 -0.47 0.00 0.00 -0.53 0.00 0.00 54.79 53.89 1wpo n ASP 80 Cb 0.41 0.90 0.00 0.00 -0.64 0.00 0.00 41.12 41.79 1wpo n ASP 80 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1wpo n GLY 81 N 1.42 -0.68 3.27 0.44 0.00 -1.11 -1.96 105.19 106.58 1wpo n GLY 81 Ca 0.03 -0.82 -0.44 0.00 0.00 0.00 0.00 46.02 44.79 1wpo n GLY 81 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1wpo s LEU 82 N 0.00 6.05 0.18 0.99 2.96 0.37 -1.54 118.68 127.69 1wpo s LEU 82 Ca 0.00 -1.93 -0.21 0.00 -0.22 0.00 0.00 54.13 51.77 1wpo s LEU 82 Cb 0.00 -2.13 -0.08 0.00 0.50 0.00 0.00 46.19 44.48 1wpo s LEU 82 CO 0.00 -0.77 0.71 0.12 -1.32 0.00 0.00 176.35 175.09 1wpo s PHE 83 N 1.37 3.74 0.08 5.38 5.36 0.15 0.03 117.98 134.08 1wpo s PHE 83 Ca 0.05 1.42 0.03 0.00 -0.96 0.00 0.00 56.93 57.48 1wpo s PHE 83 Cb -0.27 -2.63 -0.03 0.00 -0.34 0.00 0.00 43.02 39.75 1wpo s PHE 83 CO 0.01 0.42 -0.10 0.00 -1.46 0.00 0.00 175.22 174.09 1wpo s LEU 85 N -2.11 0.28 0.36 0.00 1.98 0.23 -1.73 118.68 117.69 1wpo s LEU 85 Ca -0.00 0.05 0.04 0.00 -2.89 0.00 0.00 54.13 51.32 1wpo s LEU 85 Cb -0.06 -0.19 -0.05 0.00 0.66 0.00 0.00 46.19 46.55 1wpo s LEU 85 CO 0.00 -0.23 0.07 -0.83 -1.89 0.00 0.00 176.35 173.47 1wpo s GLY 86 N 2.07 2.28 -0.06 7.98 0.00 0.19 -0.18 107.32 119.59 1wpo s GLY 86 Ca 0.04 -1.80 -0.00 0.00 0.00 0.00 0.00 44.72 42.96 1wpo s GLY 86 CO -0.03 -1.86 -0.02 0.00 0.00 0.00 0.00 173.10 171.18 1wpo s VAL 88 N 1.53 4.46 -0.09 0.00 1.01 0.51 -2.60 120.40 125.21 1wpo s VAL 88 Ca -0.01 0.83 0.08 0.00 0.00 0.00 0.00 61.98 62.88 1wpo s VAL 88 Cb -0.13 -4.44 -0.12 0.00 0.00 0.00 0.00 36.38 31.69 1wpo s VAL 88 CO -0.03 -0.82 0.04 0.35 0.00 0.00 0.00 175.10 174.63 1wpo n THR 89 N 6.42 0.62 -1.54 3.92 -2.24 0.18 -2.05 114.28 119.59 1wpo n THR 89 Ca 0.07 -0.39 -0.55 0.00 -2.27 0.00 0.00 64.05 60.91 1wpo n THR 89 Cb 0.48 -0.72 -0.08 0.00 -2.10 0.00 0.00 70.33 67.92 1wpo n THR 89 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1wpo n SER 90 N -2.33 2.11 0.23 3.42 2.88 -0.91 -4.83 113.62 114.20 1wpo n SER 90 Ca -0.15 0.75 0.08 0.00 -1.33 0.00 0.00 58.87 58.21 1wpo n SER 90 Cb 0.79 -1.17 0.56 0.00 -0.75 0.00 0.00 64.21 63.64 1wpo n SER 90 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1wpo h PRO 91 N 9.66 0.00 -0.07 -1.46 0.11 -1.93 -0.78 132.00 137.54 1wpo h PRO 91 Ca -0.34 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.71 1wpo h PRO 91 Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 1wpo h PRO 91 CO 1.00 0.18 -0.19 -0.09 -0.21 0.00 0.00 178.00 178.70 1wpo h ARG 92 N 0.00 0.25 0.01 1.05 2.43 -1.95 -1.10 114.38 115.07 1wpo h ARG 92 Ca -0.00 -0.18 -0.00 0.00 -0.81 0.00 0.00 59.98 58.99 1wpo h ARG 92 Cb 0.36 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 1wpo h ARG 92 CO 0.02 0.79 -0.00 0.35 -1.51 0.00 0.00 179.97 179.62 1wpo h PHE 93 N -0.24 -0.01 -0.73 2.20 3.57 -1.83 -1.69 116.94 118.21 1wpo h PHE 93 Ca -0.00 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.57 1wpo h PHE 93 Cb 0.80 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.49 1wpo h PHE 93 CO 0.12 0.14 0.48 -0.07 -2.23 0.00 0.00 178.31 176.75 1wpo h LEU 94 N -0.15 0.64 -0.14 0.59 4.07 -1.22 -0.62 115.31 118.48 1wpo h LEU 94 Ca -0.00 0.01 -0.03 0.00 0.08 0.00 0.00 57.88 57.94 1wpo h LEU 94 Cb 0.15 -0.13 -0.00 0.00 1.08 0.00 0.00 40.66 41.75 1wpo h LEU 94 CO 0.00 0.41 -0.02 -0.08 -1.08 0.00 0.00 178.44 177.67 1wpo h GLU 95 N 0.73 0.26 -0.54 1.13 4.57 -0.88 0.38 114.58 120.23 1wpo h GLU 95 Ca 0.32 -0.09 0.05 0.00 -1.18 0.00 0.00 59.36 58.46 1wpo h GLU 95 Cb 0.32 -0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 28.84 1wpo h GLU 95 CO -0.11 0.52 0.28 0.82 -1.18 0.00 0.00 179.01 179.34 1wpo h ILE 96 N -0.02 0.95 -0.74 2.32 2.04 -0.77 -1.23 117.51 120.06 1wpo h ILE 96 Ca 0.04 -0.18 -0.06 0.00 1.00 0.00 0.00 64.86 65.66 1wpo h ILE 96 Cb 0.41 0.37 -0.03 0.00 -0.74 0.00 0.00 36.82 36.83 1wpo h ILE 96 CO 0.01 0.10 0.24 0.58 0.00 0.00 0.00 178.15 179.08 1wpo h VAL 97 N 0.53 1.26 -0.39 1.67 2.07 -1.01 -0.74 116.25 119.64 1wpo h VAL 97 Ca 0.24 -0.90 -0.04 0.00 0.82 0.00 0.00 66.70 66.82 1wpo h VAL 97 Cb 0.15 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 1wpo h VAL 97 CO -0.17 0.35 0.07 -0.09 0.02 0.00 0.00 177.57 177.76 1wpo h ARG 98 N 1.10 0.64 -0.11 1.57 2.43 -0.47 0.17 114.38 119.71 1wpo h ARG 98 Ca 0.24 -0.17 -0.09 0.00 -0.81 0.00 0.00 59.98 59.15 1wpo h ARG 98 Cb 0.29 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 1wpo h ARG 98 CO -0.01 0.69 -0.33 0.00 -1.51 0.00 0.00 179.97 178.81 1wpo h ARG 99 N 0.49 0.22 -0.05 0.20 3.08 -1.10 -2.93 114.38 114.30 1wpo h ARG 99 Ca 0.12 -0.09 -0.23 0.00 0.07 0.00 0.00 59.98 59.85 1wpo h ARG 99 Cb 0.35 -0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.40 1wpo h ARG 99 CO 0.01 0.54 -0.90 0.00 -1.07 0.00 0.00 179.97 178.54 1wpo h ALA 100 N 1.47 0.33 0.00 0.04 0.00 -0.89 -3.25 119.26 116.95 1wpo h ALA 100 Ca 0.02 -0.67 -0.01 0.00 0.00 0.00 0.00 54.91 54.26 1wpo h ALA 100 Cb 0.69 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 1wpo h ALA 100 CO 0.05 0.75 -0.06 0.66 0.00 0.00 0.00 179.25 180.65 1wpo h SER 101 N 0.35 0.00 0.16 0.00 4.64 -0.47 -2.46 113.55 115.78 1wpo h SER 101 Ca -0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 1wpo h SER 101 Cb 1.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.62 1wpo h SER 101 CO 0.17 0.06 -0.05 -1.84 -0.87 0.00 0.00 176.83 174.30 1wpo n GLU 102 N -4.21 1.01 -0.22 4.77 0.28 -1.18 -3.07 120.64 118.03 1wpo n GLU 102 Ca -0.03 -0.33 0.07 0.00 -0.16 0.00 0.00 57.16 56.71 1wpo n GLU 102 Cb 0.14 -1.49 0.18 0.00 1.43 0.00 0.00 31.44 31.70 1wpo n GLU 102 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1wpo n LYS 103 N -0.71 2.86 -3.95 3.44 4.76 -0.93 -4.96 118.16 118.68 1wpo n LYS 103 Ca 0.18 -2.17 -0.35 0.00 -2.87 0.00 0.00 58.31 53.11 1wpo n LYS 103 Cb 0.24 -1.33 -0.09 0.00 -1.84 0.00 0.00 35.03 32.01 1wpo n LYS 103 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1wpo s SER 104 N -1.02 5.82 0.15 4.39 0.15 -1.17 -4.99 113.70 117.03 1wpo s SER 104 Ca 0.28 0.16 0.06 0.00 0.70 0.00 0.00 55.95 57.15 1wpo s SER 104 Cb 0.15 -1.98 -0.10 0.00 -1.71 0.00 0.00 66.02 62.39 1wpo s SER 104 CO 0.18 0.21 1.33 -0.33 1.20 0.00 0.00 173.24 175.84 1wpo h GLU 105 N 6.41 0.06 -0.21 5.44 5.08 -1.93 -2.68 114.58 126.76 1wpo h GLU 105 Ca -0.41 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 57.86 1wpo h GLU 105 Cb 1.17 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 1wpo h GLU 105 CO 0.70 0.95 0.07 1.25 -1.00 0.00 0.00 179.01 180.99 1wpo h LEU 106 N 0.02 0.30 -0.67 1.33 5.85 -1.95 -1.93 115.31 118.25 1wpo h LEU 106 Ca -0.03 -0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.49 1wpo h LEU 106 Cb 1.64 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 42.56 1wpo h LEU 106 CO 0.13 0.40 0.35 0.58 -0.34 0.00 0.00 178.44 179.56 1wpo h VAL 107 N 0.17 1.22 0.00 1.05 2.07 -1.86 -2.07 116.25 116.84 1wpo h VAL 107 Ca 0.07 -0.58 -0.01 0.00 0.82 0.00 0.00 66.70 67.00 1wpo h VAL 107 Cb 0.21 0.37 -0.00 0.00 -1.52 0.00 0.00 31.29 30.34 1wpo h VAL 107 CO -0.00 0.25 -0.03 0.28 0.02 0.00 0.00 177.57 178.08 1wpo h SER 108 N 0.93 0.00 1.13 0.57 0.02 -1.21 -0.38 113.55 114.61 1wpo h SER 108 Ca 0.23 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 1wpo h SER 108 Cb 0.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.62 1wpo h SER 108 CO -0.03 0.03 0.00 0.03 -1.14 0.00 0.00 176.83 175.72 1wpo h ARG 109 N 0.00 0.00 -1.10 3.45 3.08 -0.61 -3.49 114.38 115.71 1wpo h ARG 109 Ca -0.00 0.00 0.12 0.00 0.07 0.00 0.00 59.98 60.17 1wpo h ARG 109 Cb 0.14 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.14 1wpo h ARG 109 CO 0.00 0.00 -0.29 0.41 -1.07 0.00 0.00 179.97 179.02 1wpo n GLY 110 N 0.28 -2.16 2.33 0.04 0.00 -0.15 -4.99 105.19 100.54 1wpo n GLY 110 Ca 0.02 -1.37 -0.17 0.00 0.00 0.00 0.00 46.02 44.50 1wpo n GLY 110 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wpo n PRO 111 N -3.07 -0.54 -2.50 1.61 -0.04 -1.26 -4.97 135.00 124.23 1wpo n PRO 111 Ca -0.01 -1.35 -0.42 0.00 -0.04 0.00 0.00 63.50 61.68 1wpo n PRO 111 Cb 0.22 -0.72 -0.03 0.00 -0.04 0.00 0.00 33.50 32.93 1wpo n PRO 111 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1wpo s VAL 112 N -2.51 4.17 0.00 0.52 -7.23 -1.26 -4.93 120.40 109.16 1wpo s VAL 112 Ca 0.44 1.61 0.00 0.00 -1.81 0.00 0.00 61.98 62.22 1wpo s VAL 112 Cb -0.01 -4.03 0.00 0.00 0.56 0.00 0.00 36.38 32.90 1wpo s VAL 112 CO 0.31 0.15 0.00 -0.24 -0.31 0.00 0.00 175.10 175.01 1wpo n SER 113 N 3.65 0.00 -0.35 4.85 2.88 -1.26 -1.66 113.62 121.73 1wpo n SER 113 Ca 0.07 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.74 1wpo n SER 113 Cb 0.47 0.00 0.33 0.00 -0.75 0.00 0.00 64.21 64.26 1wpo n SER 113 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1wpo h PRO 114 N 0.00 0.74 -7.00 -1.46 0.11 -2.04 -3.42 132.00 118.92 1wpo h PRO 114 Ca 0.00 -0.04 -0.54 0.00 0.11 0.00 0.00 66.00 65.53 1wpo h PRO 114 Cb 0.00 -0.17 0.11 0.00 0.11 0.00 0.00 31.00 31.05 1wpo h PRO 114 CO 0.00 0.49 0.61 -0.51 -0.21 0.00 0.00 178.00 178.39 1wpo s LEU 115 N -10.20 4.02 0.22 2.35 1.43 -0.67 -5.00 118.68 110.83 1wpo s LEU 115 Ca -0.11 2.71 -0.13 0.00 -1.03 0.00 0.00 54.13 55.56 1wpo s LEU 115 Cb 0.24 -4.10 -0.08 0.00 0.03 0.00 0.00 46.19 42.29 1wpo s LEU 115 CO 0.80 -1.21 0.61 -1.58 0.23 0.00 0.00 176.35 175.20 1wpo s GLN 116 N -2.61 3.94 0.16 1.70 0.74 -1.26 -4.80 119.66 117.53 1wpo s GLN 116 Ca 0.64 0.48 -0.31 0.00 0.05 0.00 0.00 55.36 56.22 1wpo s GLN 116 Cb -0.39 -2.71 -0.11 0.00 1.10 0.00 0.00 33.01 30.91 1wpo s GLN 116 CO 0.48 0.34 1.75 -2.14 -0.55 0.00 0.00 175.29 175.17 1wpo s PRO 117 N -2.51 4.14 -0.42 1.67 0.02 -1.26 -4.84 135.00 131.80 1wpo s PRO 117 Ca 0.46 2.57 0.02 0.00 0.02 0.00 0.00 61.00 64.06 1wpo s PRO 117 Cb -0.13 -3.34 0.15 0.00 0.02 0.00 0.00 34.50 31.20 1wpo s PRO 117 CO 0.20 -0.78 0.26 0.34 -0.33 0.00 0.00 177.00 176.69 1wpo s ASP 118 N 1.91 3.02 0.27 2.53 -1.08 -1.26 -5.03 116.67 117.03 1wpo s ASP 118 Ca 0.77 -2.61 -0.01 0.00 -0.52 0.00 0.00 52.55 50.18 1wpo s ASP 118 Cb -0.47 -0.70 0.57 0.00 -1.46 0.00 0.00 42.92 40.86 1wpo s ASP 118 CO 0.34 -0.25 1.71 0.11 0.52 0.00 0.00 175.17 177.60 1wpo h LYS 119 N 6.55 0.40 0.00 4.34 1.57 -1.92 -0.19 116.57 127.33 1wpo h LYS 119 Ca 0.08 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1wpo h LYS 119 Cb 0.93 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.15 1wpo h LYS 119 CO 0.39 0.27 -0.00 0.28 -0.57 0.00 0.00 179.45 179.81 1wpo h VAL 120 N 0.42 1.24 -0.96 0.50 2.07 -1.88 -0.29 116.25 117.35 1wpo h VAL 120 Ca 0.48 -0.71 0.01 0.00 0.82 0.00 0.00 66.70 67.29 1wpo h VAL 120 Cb 0.82 1.72 -0.05 0.00 -1.52 0.00 0.00 31.29 32.26 1wpo h VAL 120 CO -0.47 0.18 0.62 0.58 0.02 0.00 0.00 177.57 178.50 1wpo h VAL 121 N -0.31 1.25 -0.43 2.57 2.07 -1.90 -0.96 116.25 118.55 1wpo h VAL 121 Ca -0.00 -0.48 -0.11 0.00 0.82 0.00 0.00 66.70 66.93 1wpo h VAL 121 Cb 0.31 -0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 29.92 1wpo h VAL 121 CO 0.00 0.25 -0.16 -0.33 0.02 0.00 0.00 177.57 177.35 1wpo h GLU 122 N 1.31 0.86 -0.19 1.57 5.08 -0.96 -1.14 114.58 121.10 1wpo h GLU 122 Ca 0.35 -0.36 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1wpo h GLU 122 Cb -0.12 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 1wpo h GLU 122 CO -0.07 1.00 0.12 0.35 -1.00 0.00 0.00 179.01 179.41 1wpo h PHE 123 N 0.69 0.24 -0.86 4.33 3.57 -0.53 -0.75 116.94 123.62 1wpo h PHE 123 Ca 0.10 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.64 1wpo h PHE 123 Cb 0.72 -0.08 -0.05 0.00 2.79 0.00 0.00 35.95 39.33 1wpo h PHE 123 CO 0.05 0.17 0.57 -0.07 -2.23 0.00 0.00 178.31 176.80 1wpo h LEU 124 N 0.25 0.93 -0.76 0.59 3.38 -1.13 -1.37 115.31 117.20 1wpo h LEU 124 Ca 0.07 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 1wpo h LEU 124 Cb -0.01 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 1wpo h LEU 124 CO -0.01 0.64 0.28 0.28 0.09 0.00 0.00 178.44 179.72 1wpo h SER 125 N 1.08 1.07 0.37 -0.43 0.02 -0.66 -0.97 113.55 114.03 1wpo h SER 125 Ca 0.34 -0.19 -0.02 0.00 -0.84 0.00 0.00 61.79 61.08 1wpo h SER 125 Cb 0.01 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.28 1wpo h SER 125 CO -0.10 0.97 -0.18 1.23 -1.14 0.00 0.00 176.83 177.61 1wpo h GLY 126 N 1.11 -0.52 1.61 -3.77 0.00 -0.21 -3.29 103.07 98.00 1wpo h GLY 126 Ca 0.25 0.19 -0.21 0.00 0.00 0.00 0.00 47.33 47.56 1wpo h GLY 126 CO -0.02 -0.19 -0.89 1.76 0.00 0.00 0.00 176.54 177.20 1wpo h SER 127 N -0.93 0.45 -2.23 0.19 0.02 -1.34 -3.37 113.55 106.34 1wpo h SER 127 Ca -0.05 -0.35 -0.58 0.00 -0.84 0.00 0.00 61.79 59.97 1wpo h SER 127 Cb 0.54 -0.14 -0.42 0.00 0.14 0.00 0.00 62.40 62.52 1wpo h SER 127 CO 0.08 1.14 -0.71 -1.22 -1.14 0.00 0.00 176.83 174.99 1wpo n TYR 128 N -3.74 3.44 0.72 3.45 4.01 -0.37 -3.55 117.16 121.12 1wpo n TYR 128 Ca -0.05 -3.99 0.09 0.00 -0.16 0.00 0.00 57.90 53.78 1wpo n TYR 128 Cb 0.81 -0.49 0.41 0.00 -0.31 0.00 0.00 39.34 39.76 1wpo n TYR 128 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1wpo n ALA 129 N 0.02 1.88 -2.39 -0.72 0.00 -0.86 -4.53 120.51 113.91 1wpo n ALA 129 Ca 0.30 -0.07 -0.20 0.00 0.00 0.00 0.00 53.44 53.46 1wpo n ALA 129 Cb 0.43 -1.28 -0.10 0.00 0.00 0.00 0.00 19.45 18.49 1wpo n ALA 129 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1wpo s GLY 130 N -2.79 1.60 0.10 0.00 0.00 -0.41 0.23 107.32 106.06 1wpo s GLY 130 Ca 0.13 -1.75 0.09 0.00 0.00 0.00 0.00 44.72 43.18 1wpo s GLY 130 CO 0.29 -1.83 -0.18 1.08 0.00 0.00 0.00 173.10 172.46 1wpo s LEU 131 N -3.39 2.68 -0.21 0.66 2.01 -0.50 -0.93 118.68 119.00 1wpo s LEU 131 Ca 0.25 -0.53 -0.04 0.00 0.01 0.00 0.00 54.13 53.82 1wpo s LEU 131 Cb -0.02 -1.54 0.11 0.00 0.01 0.00 0.00 46.19 44.75 1wpo s LEU 131 CO 0.10 0.19 0.30 -0.55 1.01 0.00 0.00 176.35 177.40 1wpo s SER 132 N -2.01 0.75 -0.21 2.29 0.15 0.29 -4.31 113.70 110.66 1wpo s SER 132 Ca 0.17 0.09 -0.29 0.00 0.70 0.00 0.00 55.95 56.62 1wpo s SER 132 Cb -0.11 0.75 0.01 0.00 -1.71 0.00 0.00 66.02 64.96 1wpo s SER 132 CO 0.09 -0.30 1.04 -0.22 1.20 0.00 0.00 173.24 175.05 1wpo s LEU 133 N 2.44 4.12 -0.29 3.45 2.96 -1.26 -0.01 118.68 130.09 1wpo s LEU 133 Ca 0.08 1.41 -0.29 0.00 -0.22 0.00 0.00 54.13 55.12 1wpo s LEU 133 Cb -0.15 -3.54 0.01 0.00 0.50 0.00 0.00 46.19 43.01 1wpo s LEU 133 CO -0.13 -0.64 1.06 -0.94 -1.32 0.00 0.00 176.35 174.37 1wpo s SER 134 N 1.21 6.97 -0.25 3.68 1.04 -0.75 -5.00 113.70 120.61 1wpo s SER 134 Ca 0.45 1.14 -0.26 0.00 0.48 0.00 0.00 55.95 57.76 1wpo s SER 134 Cb -0.16 -2.54 0.07 0.00 0.10 0.00 0.00 66.02 63.50 1wpo s SER 134 CO 0.08 -0.81 0.72 -0.55 0.98 0.00 0.00 173.24 173.66 1wpo s SER 135 N 1.52 -0.74 0.09 7.02 0.15 -1.26 -2.45 113.70 118.02 1wpo s SER 135 Ca 0.45 1.38 0.04 0.00 0.70 0.00 0.00 55.95 58.51 1wpo s SER 135 Cb -0.13 1.38 0.12 0.00 -1.71 0.00 0.00 66.02 65.68 1wpo s SER 135 CO 0.12 -0.28 0.18 1.07 1.20 0.00 0.00 173.24 175.53 1wpo n THR 153 N 2.52 0.00 0.62 6.45 5.66 -1.26 -5.07 114.28 123.20 1wpo n THR 153 Ca -0.14 0.18 0.10 0.00 -3.05 0.00 0.00 64.05 61.13 1wpo n THR 153 Cb 0.55 -0.31 0.43 0.00 -1.55 0.00 0.00 70.33 69.45 1wpo n THR 153 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 175.07 169.37 1wpo n PRO 154 N -1.53 0.06 -3.97 1.09 -0.02 -1.26 -4.73 135.00 124.64 1wpo n PRO 154 Ca 0.03 0.22 -0.12 0.00 -2.02 0.00 0.00 63.50 61.61 1wpo n PRO 154 Cb 0.21 -1.59 -0.13 0.00 -0.02 0.00 0.00 33.50 31.97 1wpo n PRO 154 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1wpo s PHE 155 N -3.07 0.22 0.02 6.00 0.08 -1.26 -5.03 117.98 114.94 1wpo s PHE 155 Ca 0.09 -0.19 -0.09 0.00 0.12 0.00 0.00 56.93 56.85 1wpo s PHE 155 Cb 0.12 -0.15 -0.31 0.00 -0.57 0.00 0.00 43.02 42.11 1wpo s PHE 155 CO 0.38 -0.05 0.95 0.87 -0.10 0.00 0.00 175.22 177.27 1wpo h LYS 156 N 5.61 0.39 0.00 0.44 1.57 -1.77 -3.49 116.57 119.31 1wpo h LYS 156 Ca -0.28 -0.67 0.26 0.00 -1.87 0.00 0.00 60.65 58.09 1wpo h LYS 156 Cb 1.21 0.25 -0.05 0.00 0.08 0.00 0.00 32.23 33.72 1wpo h LYS 156 CO 0.47 1.30 0.65 -2.39 -0.57 0.00 0.00 179.45 178.92 1wpo n HIS 157 N -3.59 -0.23 -5.09 -1.35 1.44 -1.26 -4.48 115.22 100.66 1wpo n HIS 157 Ca -0.16 -0.46 -0.32 0.00 -2.01 0.00 0.00 57.72 54.77 1wpo n HIS 157 Cb 1.07 0.20 -0.15 0.00 0.12 0.00 0.00 29.99 31.23 1wpo n HIS 157 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 1wpo s VAL 158 N -2.04 2.50 -0.02 0.61 1.01 -1.08 -1.81 120.40 119.57 1wpo s VAL 158 Ca 0.22 -0.91 0.04 0.00 0.00 0.00 0.00 61.98 61.32 1wpo s VAL 158 Cb -0.00 -1.95 -0.03 0.00 0.00 0.00 0.00 36.38 34.40 1wpo s VAL 158 CO -0.01 0.57 -0.13 0.00 0.00 0.00 0.00 175.10 175.53 1wpo s ALA 159 N -0.33 2.72 -0.20 5.51 0.00 0.99 -1.95 121.76 128.51 1wpo s ALA 159 Ca 0.02 -1.03 -0.15 0.00 0.00 0.00 0.00 51.96 50.80 1wpo s ALA 159 Cb -0.13 -0.96 -0.04 0.00 0.00 0.00 0.00 23.12 21.99 1wpo s ALA 159 CO 0.02 0.57 0.37 -0.51 0.00 0.00 0.00 175.76 176.21 1wpo s LEU 160 N -1.00 4.16 0.33 0.00 1.43 0.37 -0.55 118.68 123.42 1wpo s LEU 160 Ca 0.13 0.49 0.05 0.00 -1.03 0.00 0.00 54.13 53.78 1wpo s LEU 160 Cb -0.11 -2.47 -0.03 0.00 0.03 0.00 0.00 46.19 43.61 1wpo s LEU 160 CO 0.03 -0.04 0.23 0.00 0.23 0.00 0.00 176.35 176.79 1wpo h SER 162 N 2.14 0.33 -4.67 0.00 4.64 -1.84 -0.92 113.55 113.23 1wpo h SER 162 Ca -0.29 -0.13 -0.07 0.00 -0.47 0.00 0.00 61.79 60.84 1wpo h SER 162 Cb 1.24 -0.09 -0.20 0.00 -0.31 0.00 0.00 62.40 63.04 1wpo h SER 162 CO 0.43 0.66 0.06 -0.69 -0.87 0.00 0.00 176.83 176.42 1wpo s VAL 163 N -4.27 0.01 0.14 0.95 1.01 -1.26 -3.66 120.40 113.32 1wpo s VAL 163 Ca -0.05 -0.08 -0.02 0.00 0.00 0.00 0.00 61.98 61.82 1wpo s VAL 163 Cb 0.13 -0.90 -0.05 0.00 0.00 0.00 0.00 36.38 35.57 1wpo s VAL 163 CO 0.78 -0.04 0.34 -0.83 0.00 0.00 0.00 175.10 175.35 1wpo s GLY 164 N -0.73 2.09 0.27 4.51 0.00 -1.26 -4.80 107.32 107.41 1wpo s GLY 164 Ca -0.08 -0.70 0.04 0.00 0.00 0.00 0.00 44.72 43.98 1wpo s GLY 164 CO 0.06 -0.65 1.67 -0.09 0.00 0.00 0.00 173.10 174.09 1wpo h ARG 165 N 2.63 0.35 -6.81 2.90 2.43 -1.97 -3.42 114.38 110.49 1wpo h ARG 165 Ca -0.46 -0.17 -0.49 0.00 -0.81 0.00 0.00 59.98 58.05 1wpo h ARG 165 Cb 1.17 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.71 1wpo h ARG 165 CO 0.72 0.70 0.37 1.03 -1.51 0.00 0.00 179.97 181.28 1wpo s ARG 166 N -4.19 4.71 0.74 0.20 0.52 -1.26 -5.03 118.95 114.63 1wpo s ARG 166 Ca -0.05 1.49 -0.11 0.00 -0.52 0.00 0.00 55.73 56.53 1wpo s ARG 166 Cb 0.13 -3.08 0.03 0.00 0.52 0.00 0.00 34.95 32.55 1wpo s ARG 166 CO 0.79 0.37 1.08 1.03 0.02 0.00 0.00 175.30 178.59 1wpo s ARG 167 N -1.55 2.57 -0.16 3.54 1.81 -1.26 -3.76 118.95 120.14 1wpo s ARG 167 Ca 0.45 0.71 0.00 0.00 -1.72 0.00 0.00 55.73 55.17 1wpo s ARG 167 Cb -0.24 -1.97 0.00 0.00 -0.45 0.00 0.00 34.95 32.29 1wpo s ARG 167 CO 0.31 -1.29 0.00 0.41 -0.68 0.00 0.00 175.30 174.04 1wpo n GLY 168 N -2.26 0.47 2.34 -3.53 0.00 -1.26 -4.45 105.19 96.50 1wpo n GLY 168 Ca 0.07 -0.18 -0.35 0.00 0.00 0.00 0.00 46.02 45.56 1wpo n GLY 168 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1wpo n THR 169 N -2.72 3.62 -2.13 2.61 5.66 -1.25 -4.22 114.28 115.86 1wpo n THR 169 Ca -0.02 -2.96 -0.41 0.00 -3.05 0.00 0.00 64.05 57.61 1wpo n THR 169 Cb 0.17 -1.17 -0.02 0.00 -1.55 0.00 0.00 70.33 67.76 1wpo n THR 169 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 1wpo s LEU 170 N -3.81 4.42 -0.37 1.09 2.96 -1.26 -1.41 118.68 120.30 1wpo s LEU 170 Ca 0.64 2.59 -0.16 0.00 -0.22 0.00 0.00 54.13 56.98 1wpo s LEU 170 Cb 0.50 -3.63 -0.00 0.00 0.50 0.00 0.00 46.19 43.56 1wpo s LEU 170 CO -0.03 -0.57 0.39 0.00 -1.32 0.00 0.00 176.35 174.83 1wpo s ALA 171 N -0.46 3.48 -0.35 5.97 0.00 0.14 -4.31 121.76 126.23 1wpo s ALA 171 Ca 0.54 -1.30 -0.11 0.00 0.00 0.00 0.00 51.96 51.09 1wpo s ALA 171 Cb -0.39 -2.90 0.00 0.00 0.00 0.00 0.00 23.12 19.83 1wpo s ALA 171 CO 0.46 -1.23 0.20 0.08 0.00 0.00 0.00 175.76 175.27 1wpo s VAL 172 N 2.06 4.80 0.25 0.00 1.01 -0.14 -4.82 120.40 123.56 1wpo s VAL 172 Ca 0.12 -0.54 0.01 0.00 0.00 0.00 0.00 61.98 61.57 1wpo s VAL 172 Cb -0.17 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 1wpo s VAL 172 CO 0.12 -0.08 0.43 -0.31 0.00 0.00 0.00 175.10 175.26 1wpo s TYR 173 N 1.62 3.48 0.00 5.22 1.51 -1.26 -1.50 117.35 126.43 1wpo s TYR 173 Ca 0.04 0.26 0.00 0.00 -1.01 0.00 0.00 57.07 56.37 1wpo s TYR 173 Cb -0.18 -1.80 0.00 0.00 -0.11 0.00 0.00 41.96 39.87 1wpo s TYR 173 CO 0.08 0.32 0.00 0.41 -1.11 0.00 0.00 175.55 175.25 1wpo n GLY 174 N -1.12 0.82 0.15 0.71 0.00 -0.60 -4.66 105.19 100.49 1wpo n GLY 174 Ca -0.06 -0.61 0.01 0.00 0.00 0.00 0.00 46.02 45.36 1wpo n GLY 174 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1wpo h ARG 175 N 0.00 0.00 -5.20 1.61 2.47 -1.86 0.28 114.38 111.68 1wpo h ARG 175 Ca 0.00 0.00 -0.67 0.00 -1.26 0.00 0.00 59.98 58.05 1wpo h ARG 175 Cb 0.00 0.00 -0.31 0.00 -1.65 0.00 0.00 29.97 28.01 1wpo h ARG 175 CO 0.00 0.56 -0.81 0.34 0.56 0.00 0.00 179.97 180.62 1wpo s ASP 176 N -6.60 3.60 0.24 7.04 2.15 -1.26 -4.61 116.67 117.23 1wpo s ASP 176 Ca 0.00 -0.48 -0.05 0.00 0.43 0.00 0.00 52.55 52.45 1wpo s ASP 176 Cb 0.11 -1.55 0.41 0.00 -0.30 0.00 0.00 42.92 41.59 1wpo s ASP 176 CO 0.74 0.09 1.74 -0.65 -0.17 0.00 0.00 175.17 176.92 1wpo h PRO 177 N 7.28 0.46 -0.96 4.34 0.11 -1.96 -0.97 132.00 140.29 1wpo h PRO 177 Ca -0.32 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 65.78 1wpo h PRO 177 Cb 1.19 -0.10 -0.05 0.00 0.11 0.00 0.00 31.00 32.15 1wpo h PRO 177 CO 0.57 0.31 0.64 0.93 -0.21 0.00 0.00 178.00 180.23 1wpo h GLU 178 N 0.48 1.24 -0.57 1.05 4.39 -1.99 -2.81 114.58 116.36 1wpo h GLU 178 Ca 0.39 -0.07 -0.11 0.00 0.34 0.00 0.00 59.36 59.91 1wpo h GLU 178 Cb 0.54 -0.28 -0.02 0.00 -0.10 0.00 0.00 28.75 28.89 1wpo h GLU 178 CO -0.36 0.82 -0.06 2.35 -1.16 0.00 0.00 179.01 180.60 1wpo h TRP 179 N 1.28 1.16 0.00 4.33 7.01 -1.62 -1.30 115.95 126.81 1wpo h TRP 179 Ca 0.36 -0.22 0.00 0.00 2.11 0.00 0.00 58.89 61.14 1wpo h TRP 179 Cb -0.10 -0.29 0.00 0.00 -2.10 0.00 0.00 29.16 26.67 1wpo h TRP 179 CO -0.00 1.05 0.00 1.33 -2.79 0.00 0.00 178.44 178.02 1wpo n VAL 180 N -4.16 0.73 0.00 2.65 0.24 -0.97 -2.90 118.33 113.91 1wpo n VAL 180 Ca 0.02 -0.03 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1wpo n VAL 180 Cb 0.38 -0.88 0.00 0.00 -1.47 0.00 0.00 33.84 31.87 1wpo n VAL 180 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 1wpo n GLN 182 N 0.74 0.00 0.25 7.34 -0.06 -0.49 -4.03 117.38 121.13 1wpo n GLN 182 Ca 0.00 0.00 0.16 0.00 -2.00 0.00 0.00 57.00 55.16 1wpo n GLN 182 Cb 0.34 -0.04 0.53 0.00 -4.06 0.00 0.00 30.24 27.01 1wpo n GLN 182 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1wpo h ARG 183 N 0.00 0.00 -4.41 3.69 -0.00 -1.81 -3.42 114.38 108.42 1wpo h ARG 183 Ca 0.00 0.00 -0.72 0.00 -0.50 0.00 0.00 59.98 58.76 1wpo h ARG 183 Cb 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 29.97 29.72 1wpo h ARG 183 CO 0.00 0.00 -0.42 -0.06 0.00 0.00 0.00 179.97 179.49 1wpo s PHE 184 N -3.51 3.29 0.25 3.04 0.08 -1.26 -4.33 117.98 115.54 1wpo s PHE 184 Ca 0.03 -1.21 -0.04 0.00 0.12 0.00 0.00 56.93 55.83 1wpo s PHE 184 Cb 0.08 -2.97 0.45 0.00 -0.57 0.00 0.00 43.02 40.02 1wpo s PHE 184 CO 0.57 -0.80 1.75 -1.35 -0.10 0.00 0.00 175.22 175.29 1wpo h PRO 185 N 8.55 0.50 -0.90 0.24 0.11 -1.82 -2.32 132.00 136.37 1wpo h PRO 185 Ca -0.25 -0.03 0.24 0.00 0.11 0.00 0.00 66.00 66.07 1wpo h PRO 185 Cb 1.10 -0.11 -0.14 0.00 0.11 0.00 0.00 31.00 31.95 1wpo h PRO 185 CO 0.79 0.33 0.31 0.38 -0.21 0.00 0.00 178.00 179.60 1wpo h ASP 186 N 0.52 0.13 -3.57 -2.05 3.04 -1.93 -3.42 116.42 109.14 1wpo h ASP 186 Ca 0.41 0.19 -0.53 0.00 -3.24 0.00 0.00 57.03 53.86 1wpo h ASP 186 Cb 0.58 0.22 0.08 0.00 -1.04 0.00 0.00 39.33 39.18 1wpo h ASP 186 CO -0.37 -0.12 0.79 -0.76 -2.04 0.00 0.00 179.24 176.75 1wpo s LEU 187 N -10.59 4.36 0.26 0.15 1.43 -0.87 -4.94 118.68 108.47 1wpo s LEU 187 Ca -0.12 2.87 0.06 0.00 -1.03 0.00 0.00 54.13 55.91 1wpo s LEU 187 Cb 0.26 -3.64 -0.03 0.00 0.03 0.00 0.00 46.19 42.81 1wpo s LEU 187 CO 0.77 -0.80 0.31 0.42 0.23 0.00 0.00 176.35 177.28 1wpo s THR 188 N -0.43 4.78 0.29 5.49 -4.23 -1.26 -4.96 115.64 115.32 1wpo s THR 188 Ca 0.58 -1.16 0.03 0.00 -1.18 0.00 0.00 61.69 59.96 1wpo s THR 188 Cb -0.45 -3.63 0.28 0.00 1.34 0.00 0.00 72.50 70.05 1wpo s THR 188 CO 0.51 -0.32 1.77 0.00 -0.54 0.00 0.00 174.62 176.05 1wpo h ALA 189 N 1.27 1.54 -0.37 3.99 0.00 -1.98 0.48 119.26 124.19 1wpo h ALA 189 Ca -0.50 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1wpo h ALA 189 Cb 1.24 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 1wpo h ALA 189 CO 0.60 -0.05 0.23 0.00 0.00 0.00 0.00 179.25 180.03 1wpo h ALA 190 N 1.62 0.48 -0.38 0.00 0.00 -1.99 -1.50 119.26 117.48 1wpo h ALA 190 Ca 0.54 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.42 1wpo h ALA 190 Cb 0.80 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1wpo h ALA 190 CO -0.37 -0.04 0.23 -0.44 0.00 0.00 0.00 179.25 178.62 1wpo h ASP 191 N 0.50 0.38 -0.88 0.00 3.32 -1.45 -1.62 116.42 116.67 1wpo h ASP 191 Ca 0.14 0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.21 1wpo h ASP 191 Cb -0.02 -0.08 -0.05 0.00 0.22 0.00 0.00 39.33 39.40 1wpo h ASP 191 CO -0.03 0.27 0.57 0.03 -1.72 0.00 0.00 179.24 178.37 1wpo h ARG 192 N 0.47 1.09 -0.12 3.56 3.08 -0.60 0.11 114.38 121.97 1wpo h ARG 192 Ca 0.15 -0.07 -0.08 0.00 0.07 0.00 0.00 59.98 60.05 1wpo h ARG 192 Cb -0.01 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 29.79 1wpo h ARG 192 CO -0.06 0.72 -0.30 -0.44 -1.07 0.00 0.00 179.97 178.82 1wpo h ASP 193 N 1.12 0.23 -0.18 7.04 5.19 -1.09 0.36 116.42 129.09 1wpo h ASP 193 Ca 0.34 -0.07 -0.01 0.00 -0.62 0.00 0.00 57.03 56.67 1wpo h ASP 193 Cb -0.03 -0.06 -0.01 0.00 0.18 0.00 0.00 39.33 39.41 1wpo h ASP 193 CO -0.11 0.53 0.09 1.23 -3.12 0.00 0.00 179.24 177.86 1wpo h GLY 194 N 1.04 0.28 0.81 2.75 0.00 0.14 -1.44 103.07 106.65 1wpo h GLY 194 Ca 0.03 -0.14 -0.06 0.00 0.00 0.00 0.00 47.33 47.16 1wpo h GLY 194 CO 0.05 0.13 -0.11 1.41 0.00 0.00 0.00 176.54 178.02 1wpo h LEU 195 N 0.17 0.45 -0.95 3.11 3.38 -0.85 -3.26 115.31 117.36 1wpo h LEU 195 Ca 0.06 -0.42 0.09 0.00 0.09 0.00 0.00 57.88 57.70 1wpo h LEU 195 Cb 0.12 -0.12 -0.07 0.00 0.09 0.00 0.00 40.66 40.67 1wpo h LEU 195 CO -0.01 0.77 0.59 -0.09 0.09 0.00 0.00 178.44 179.79 1wpo h ARG 196 N 0.13 0.98 -0.18 1.13 2.43 -0.85 0.03 114.38 118.06 1wpo h ARG 196 Ca 0.04 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1wpo h ARG 196 Cb 0.60 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.92 1wpo h ARG 196 CO 0.03 0.65 0.12 0.00 -1.51 0.00 0.00 179.97 179.26 1wpo h ALA 197 N 1.48 1.88 0.00 2.80 0.00 -1.30 -2.60 119.26 121.52 1wpo h ALA 197 Ca 0.44 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.33 1wpo h ALA 197 Cb 0.32 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1wpo h ALA 197 CO -0.22 0.11 -0.07 1.96 0.00 0.00 0.00 179.25 181.03 1wpo h GLN 198 N 0.23 0.00 0.00 0.00 4.20 -1.05 -0.67 115.11 117.82 1wpo h GLN 198 Ca 0.07 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.75 1wpo h GLN 198 Cb -0.02 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.76 1wpo h GLN 198 CO -0.01 0.07 -0.91 0.91 -0.67 0.00 0.00 178.83 178.22 1wpo n TRP 199 N -3.22 0.32 0.00 2.96 8.01 -1.01 -4.78 117.44 119.72 1wpo n TRP 199 Ca -0.00 0.14 0.00 0.00 -1.31 0.00 0.00 57.50 56.33 1wpo n TRP 199 Cb 0.31 -0.62 0.00 0.00 -2.01 0.00 0.00 31.31 28.99 1wpo n TRP 199 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.69 177.72 1wpo n GLN 200 N -4.50 0.00 0.00 -0.99 1.13 -1.01 -5.16 117.38 106.84 1wpo n GLN 200 Ca -0.14 0.13 0.00 0.00 -1.94 0.00 0.00 57.00 55.05 1wpo n GLN 200 Cb 0.45 -1.05 0.00 0.00 0.11 0.00 0.00 30.24 29.76 1wpo n GLN 200 CO 0.00 0.00 0.00 -2.13 -1.44 0.00 0.00 177.06 173.49 1wpo n ARG 201 N -0.73 0.00 -1.20 -1.09 0.63 -0.26 -5.07 116.66 108.94 1wpo n ARG 201 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1wpo n ARG 201 Cb 0.00 -1.22 0.00 0.00 0.45 0.00 0.00 32.46 31.69 1wpo n ARG 201 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1wpo n GLY 211 N 0.99 -0.40 3.60 5.14 0.00 -1.26 -4.53 105.19 108.73 1wpo n GLY 211 Ca 0.00 -0.05 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 1wpo n GLY 211 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1wpo s ASP 212 N -2.46 6.36 0.14 1.61 -1.08 -1.26 -4.89 116.67 115.09 1wpo s ASP 212 Ca 0.00 0.86 0.27 0.00 -0.52 0.00 0.00 52.55 53.16 1wpo s ASP 212 Cb 0.00 -2.54 0.93 0.00 -1.46 0.00 0.00 42.92 39.85 1wpo s ASP 212 CO 0.00 -1.41 1.81 -0.81 0.52 0.00 0.00 175.17 175.28 1wpo n PRO 213 N 8.02 0.18 -2.48 4.34 -0.04 -1.26 -4.74 135.00 139.03 1wpo n PRO 213 Ca 0.16 0.15 -0.42 0.00 -0.04 0.00 0.00 63.50 63.35 1wpo n PRO 213 Cb 0.48 -1.71 -0.03 0.00 -0.04 0.00 0.00 33.50 32.21 1wpo n PRO 213 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1wpo s PHE 214 N -3.07 2.41 -0.29 0.54 5.36 -0.96 -4.06 117.98 117.91 1wpo s PHE 214 Ca 0.12 0.41 0.11 0.00 -0.96 0.00 0.00 56.93 56.60 1wpo s PHE 214 Cb 0.14 -4.46 0.59 0.00 -0.34 0.00 0.00 43.02 38.96 1wpo s PHE 214 CO 0.58 -1.84 1.60 0.54 -1.46 0.00 0.00 175.22 174.64 1wpo n ARG 215 N 8.64 2.65 -0.42 10.12 1.74 -0.49 -4.94 116.66 133.95 1wpo n ARG 215 Ca 0.10 -3.05 0.00 0.00 -0.77 0.00 0.00 57.85 54.13 1wpo n ARG 215 Cb 0.49 -1.97 0.00 0.00 -1.02 0.00 0.00 32.46 29.96 1wpo n ARG 215 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1wpo n SER 216 N -0.73 1.32 -2.00 0.55 2.88 -0.64 -4.88 113.62 110.13 1wpo n SER 216 Ca 0.35 -0.25 -0.06 0.00 -1.33 0.00 0.00 58.87 57.59 1wpo n SER 216 Cb 1.17 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 64.64 1wpo n SER 216 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1wpo n ASP 217 N -0.42 -1.14 -0.22 -3.46 5.68 -1.26 -5.02 116.55 110.70 1wpo n ASP 217 Ca 0.00 -1.91 -0.04 0.00 -0.50 0.00 0.00 54.79 52.34 1wpo n ASP 217 Cb 0.00 1.94 0.06 0.00 -1.14 0.00 0.00 41.12 41.98 1wpo n ASP 217 CO 0.00 0.00 0.00 -1.28 -1.33 0.00 0.00 177.20 174.59 1wpo h SER 218 N 1.08 0.62 -0.71 -1.12 0.87 -1.99 -1.21 113.55 111.10 1wpo h SER 218 Ca -0.18 0.00 0.12 0.00 -1.23 0.00 0.00 61.79 60.51 1wpo h SER 218 Cb 0.67 -0.13 -0.05 0.00 -0.44 0.00 0.00 62.40 62.46 1wpo h SER 218 CO 0.23 0.43 0.47 1.88 -0.53 0.00 0.00 176.83 179.31 1wpo h TYR 219 N 0.75 0.54 -0.17 2.24 0.05 -1.98 0.39 116.97 118.79 1wpo h TYR 219 Ca 0.25 0.01 -0.12 0.00 0.05 0.00 0.00 58.73 58.93 1wpo h TYR 219 Cb 0.03 -0.17 0.00 0.00 1.01 0.00 0.00 36.73 37.60 1wpo h TYR 219 CO -0.05 0.24 -0.37 0.78 -1.05 0.00 0.00 178.16 177.70 1wpo h GLY 220 N 0.49 0.60 1.63 3.88 0.00 -1.64 -1.97 103.07 106.06 1wpo h GLY 220 Ca 0.34 -0.72 -0.05 0.00 0.00 0.00 0.00 47.33 46.90 1wpo h GLY 220 CO -0.11 0.65 -0.01 1.41 0.00 0.00 0.00 176.54 178.48 1wpo h LEU 221 N 0.19 0.43 -0.59 3.11 3.38 -0.45 -2.11 115.31 119.27 1wpo h LEU 221 Ca 0.00 -0.08 -0.13 0.00 0.09 0.00 0.00 57.88 57.77 1wpo h LEU 221 Cb 0.97 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 1wpo h LEU 221 CO 0.08 0.51 -0.23 0.25 0.09 0.00 0.00 178.44 179.14 1wpo h LEU 222 N 0.45 0.90 -0.98 1.67 5.85 -0.09 -1.48 115.31 121.63 1wpo h LEU 222 Ca 0.10 -0.34 -0.06 0.00 0.84 0.00 0.00 57.88 58.42 1wpo h LEU 222 Cb 0.31 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 1wpo h LEU 222 CO 0.01 1.09 0.07 1.23 -0.34 0.00 0.00 178.44 180.51 1wpo h GLY 223 N 0.92 0.88 0.89 3.75 0.00 -0.73 -2.94 103.07 105.83 1wpo h GLY 223 Ca 0.10 -0.54 -0.02 0.00 0.00 0.00 0.00 47.33 46.87 1wpo h GLY 223 CO 0.06 0.50 0.08 3.43 0.00 0.00 0.00 176.54 180.62 1wpo h ASN 224 N 0.78 0.33 -0.63 0.19 2.35 -1.15 -2.92 115.58 114.54 1wpo h ASN 224 Ca 0.16 -0.19 -0.01 0.00 -0.55 0.00 0.00 56.30 55.72 1wpo h ASN 224 Cb 0.36 -0.09 -0.03 0.00 0.05 0.00 0.00 38.32 38.61 1wpo h ASN 224 CO 0.01 0.43 0.37 0.77 -1.65 0.00 0.00 177.43 177.36 1wpo h SER 225 N 0.22 0.77 -0.02 5.81 4.64 -1.13 -1.77 113.55 122.06 1wpo h SER 225 Ca 0.08 -0.05 -0.16 0.00 -0.47 0.00 0.00 61.79 61.19 1wpo h SER 225 Cb 0.21 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.10 1wpo h SER 225 CO -0.00 0.60 -0.53 1.62 -0.87 0.00 0.00 176.83 177.65 1wpo h VAL 226 N 0.88 1.31 -0.25 0.95 3.04 -1.46 -3.05 116.25 117.68 1wpo h VAL 226 Ca 0.23 -1.76 -0.00 0.00 -1.01 0.00 0.00 66.70 64.15 1wpo h VAL 226 Cb -0.01 1.73 -0.01 0.00 -2.01 0.00 0.00 31.29 30.98 1wpo h VAL 226 CO -0.04 0.55 0.15 0.44 -1.01 0.00 0.00 177.57 177.66 1wpo h ASP 227 N 0.46 0.30 0.00 3.17 3.32 -1.29 -3.00 116.42 119.40 1wpo h ASP 227 Ca 0.01 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.01 1wpo h ASP 227 Cb 1.08 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.55 1wpo h ASP 227 CO 0.10 0.27 0.00 0.00 -1.72 0.00 0.00 179.24 177.89 1wpo n ALA 228 N -2.19 1.26 0.00 3.45 0.00 -0.70 -2.79 120.51 119.55 1wpo n ALA 228 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1wpo n ALA 228 Cb 0.05 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.04 1wpo n ALA 228 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1wpo n TYR 230 N 1.60 0.00 -2.65 0.00 4.02 -1.13 -4.86 117.16 114.13 1wpo n TYR 230 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.46 1wpo n TYR 230 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.30 1wpo n TYR 230 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1wpo s ILE 231 N 0.00 4.43 0.09 -0.72 1.01 -1.12 -4.96 121.20 119.94 1wpo s ILE 231 Ca 0.00 1.50 -0.33 0.00 0.00 0.00 0.00 60.65 61.83 1wpo s ILE 231 Cb 0.00 -4.46 -0.14 0.00 0.01 0.00 0.00 42.46 37.87 1wpo s ILE 231 CO 0.00 -0.64 1.52 -0.09 0.00 0.00 0.00 174.94 175.72 1wpo h ARG 232 N 8.48 -0.73 -1.74 2.79 9.65 -1.94 -3.17 114.38 127.73 1wpo h ARG 232 Ca -0.22 0.05 -0.73 0.00 -1.10 0.00 0.00 59.98 57.98 1wpo h ARG 232 Cb 1.06 0.16 -0.29 0.00 -1.39 0.00 0.00 29.97 29.51 1wpo h ARG 232 CO 1.05 -0.48 0.79 0.39 2.80 0.00 0.00 179.97 184.52 1wpo n GLU 233 N -5.29 2.84 0.33 0.20 -0.58 -1.26 -4.70 120.64 112.17 1wpo n GLU 233 Ca -0.09 -3.60 -0.15 0.00 -0.42 0.00 0.00 57.16 52.90 1wpo n GLU 233 Cb 0.40 -2.27 -0.08 0.00 -0.57 0.00 0.00 31.44 28.92 1wpo n GLU 233 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 1wpo h ARG 234 N 2.76 -0.83 -0.25 3.49 2.43 -1.92 -0.64 114.38 119.42 1wpo h ARG 234 Ca 0.54 0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.77 1wpo h ARG 234 Cb 0.29 0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 30.02 1wpo h ARG 234 CO 1.39 -0.51 0.16 -0.07 -1.51 0.00 0.00 179.97 179.43 1wpo h LEU 235 N -1.12 0.29 -0.55 3.80 3.38 -1.87 -1.49 115.31 117.75 1wpo h LEU 235 Ca -0.09 -0.02 0.08 0.00 0.09 0.00 0.00 57.88 57.94 1wpo h LEU 235 Cb 0.70 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.31 1wpo h LEU 235 CO 0.14 0.22 0.21 -0.65 0.09 0.00 0.00 178.44 178.46 1wpo h PRO 236 N 0.33 0.39 -0.49 1.13 0.11 -1.90 0.95 132.00 132.52 1wpo h PRO 236 Ca 0.09 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 66.20 1wpo h PRO 236 Cb -0.02 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 30.97 1wpo h PRO 236 CO -0.02 0.26 0.29 0.87 -0.21 0.00 0.00 178.00 179.18 1wpo h LYS 237 N 0.40 0.55 -0.77 1.05 1.57 -0.80 -0.09 116.57 118.49 1wpo h LYS 237 Ca 0.27 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.97 1wpo h LYS 237 Cb 0.30 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.45 1wpo h LYS 237 CO -0.26 0.37 0.31 -0.07 -0.57 0.00 0.00 179.45 179.22 1wpo h LEU 238 N 0.57 1.05 -0.97 2.94 -0.00 -0.56 0.15 115.31 118.50 1wpo h LEU 238 Ca 0.20 -0.16 -0.09 0.00 -0.00 0.00 0.00 57.88 57.84 1wpo h LEU 238 Cb 0.04 -0.27 -0.01 0.00 -0.00 0.00 0.00 40.66 40.41 1wpo h LEU 238 CO -0.10 0.93 -0.20 0.03 -0.00 0.00 0.00 178.44 179.10 1wpo h ARG 239 N 1.12 0.51 -0.22 1.13 3.08 -0.15 -0.42 114.38 119.44 1wpo h ARG 239 Ca 0.26 -0.18 -0.08 0.00 0.07 0.00 0.00 59.98 60.05 1wpo h ARG 239 Cb 0.20 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.21 1wpo h ARG 239 CO -0.02 0.69 -0.17 -0.92 -1.07 0.00 0.00 179.97 178.48 1wpo h TYR 240 N 0.46 0.59 -0.59 3.04 3.20 -0.49 -2.87 116.97 120.32 1wpo h TYR 240 Ca 0.07 -0.17 0.07 0.00 3.14 0.00 0.00 58.73 61.85 1wpo h TYR 240 Cb 0.61 -0.13 -0.06 0.00 1.54 0.00 0.00 36.73 38.69 1wpo h TYR 240 CO 0.02 0.82 0.28 -0.44 -1.64 0.00 0.00 178.16 177.20 1wpo h ASP 241 N 0.19 0.37 -0.45 -2.11 3.32 -0.15 -1.13 116.42 116.46 1wpo h ASP 241 Ca 0.04 0.05 0.03 0.00 0.02 0.00 0.00 57.03 57.17 1wpo h ASP 241 Cb 0.70 -0.01 -0.04 0.00 0.22 0.00 0.00 39.33 40.20 1wpo h ASP 241 CO 0.05 0.24 0.23 0.11 -1.72 0.00 0.00 179.24 178.14 1wpo h LYS 242 N 0.52 0.45 -0.38 3.56 1.57 -1.03 -2.38 116.57 118.88 1wpo h LYS 242 Ca 0.28 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 59.00 1wpo h LYS 242 Cb 0.25 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 1wpo h LYS 242 CO -0.22 0.30 0.09 1.96 -0.57 0.00 0.00 179.45 181.01 1wpo h GLN 243 N 0.46 0.60 -0.63 3.15 4.20 -1.22 -0.93 115.11 120.74 1wpo h GLN 243 Ca 0.19 -0.14 0.09 0.00 0.06 0.00 0.00 58.65 58.85 1wpo h GLN 243 Cb 0.09 -0.08 -0.07 0.00 0.30 0.00 0.00 27.48 27.72 1wpo h GLN 243 CO -0.13 0.63 0.27 1.25 -0.67 0.00 0.00 178.83 180.18 1wpo h LEU 244 N 0.46 0.31 -2.58 1.46 5.85 -0.82 -1.26 115.31 118.73 1wpo h LEU 244 Ca 0.12 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.91 1wpo h LEU 244 Cb 0.30 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.36 1wpo h LEU 244 CO 0.00 0.18 0.00 1.33 -0.34 0.00 0.00 178.44 179.61 1wpo n VAL 245 N -4.95 1.43 -1.82 1.05 0.24 -0.93 -4.93 118.33 108.42 1wpo n VAL 245 Ca 0.09 -0.94 -0.20 0.00 -2.04 0.00 0.00 64.34 61.25 1wpo n VAL 245 Cb 0.27 0.08 -0.06 0.00 -1.47 0.00 0.00 33.84 32.65 1wpo n VAL 245 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1wpo n GLY 246 N 1.03 1.24 0.22 7.63 0.00 -0.48 -4.23 105.19 110.60 1wpo n GLY 246 Ca 0.21 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.38 1wpo n GLY 246 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1wpo h VAL 247 N 0.00 0.00 0.00 1.61 2.07 -1.37 -0.34 116.25 118.22 1wpo h VAL 247 Ca -0.43 -0.37 -0.06 0.00 0.82 0.00 0.00 66.70 66.66 1wpo h VAL 247 Cb 1.33 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 32.34 1wpo h VAL 247 CO 0.60 0.00 -0.28 0.71 0.02 0.00 0.00 177.57 178.61 1wpo h THR 248 N 0.00 1.02 -0.08 2.57 1.35 -1.87 -1.87 112.91 114.03 1wpo h THR 248 Ca 0.00 -1.03 0.00 0.00 -0.55 0.00 0.00 66.41 64.83 1wpo h THR 248 Cb 0.42 1.59 0.00 0.00 -1.73 0.00 0.00 68.15 68.43 1wpo h THR 248 CO 0.00 0.28 0.00 -0.62 -0.25 0.00 0.00 175.52 174.93 1wpo n GLU 249 N -3.93 1.35 -4.04 4.72 1.02 -0.14 -4.80 120.64 114.81 1wpo n GLU 249 Ca -0.02 -0.35 -0.09 0.00 -0.02 0.00 0.00 57.16 56.69 1wpo n GLU 249 Cb 0.36 -1.35 -0.09 0.00 -0.02 0.00 0.00 31.44 30.33 1wpo n GLU 249 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1wpo s ARG 250 N -1.51 0.85 0.01 3.49 1.81 -0.70 -5.05 118.95 117.84 1wpo s ARG 250 Ca 0.06 -1.24 -0.17 0.00 -1.72 0.00 0.00 55.73 52.67 1wpo s ARG 250 Cb 0.04 0.27 -0.06 0.00 -0.45 0.00 0.00 34.95 34.76 1wpo s ARG 250 CO 0.03 -0.24 0.47 -1.21 -0.68 0.00 0.00 175.30 173.67 1wpo s GLU 251 N -3.96 4.07 0.29 3.54 2.02 -1.26 -4.96 118.70 118.43 1wpo s GLU 251 Ca 0.14 0.53 -0.20 0.00 0.02 0.00 0.00 54.97 55.46 1wpo s GLU 251 Cb 0.06 -3.25 0.04 0.00 0.10 0.00 0.00 34.13 31.08 1wpo s GLU 251 CO -0.05 0.61 0.77 -1.54 0.02 0.00 0.00 175.26 175.08 1wpo s SER 252 N -0.87 -0.17 0.00 -0.19 1.04 -1.26 -4.99 113.70 107.25 1wpo s SER 252 Ca 0.26 -0.74 0.17 0.00 0.48 0.00 0.00 55.95 56.12 1wpo s SER 252 Cb -0.17 0.73 0.83 0.00 0.10 0.00 0.00 66.02 67.50 1wpo s SER 252 CO 0.15 -1.38 1.56 -1.22 0.98 0.00 0.00 173.24 173.32 1wpo n TYR 253 N -0.49 0.10 -1.68 5.02 4.01 -1.26 -4.68 117.16 118.17 1wpo n TYR 253 Ca -0.05 -0.05 -0.45 0.00 -0.16 0.00 0.00 57.90 57.19 1wpo n TYR 253 Cb 0.59 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.59 1wpo n TYR 253 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1wpo n VAL 254 N -0.30 0.01 0.80 -0.72 0.31 -1.26 -4.77 118.33 112.41 1wpo n VAL 254 Ca 0.13 -0.00 0.11 0.00 -0.01 0.00 0.00 64.34 64.57 1wpo n VAL 254 Cb 0.16 -1.67 0.09 0.00 -0.91 0.00 0.00 33.84 31.52 1wpo n VAL 254 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1wpo n LYS 255 N 3.55 0.13 0.00 5.55 4.76 -1.26 -5.05 118.16 125.85 1wpo n LYS 255 Ca 0.17 0.00 0.15 0.00 -2.87 0.00 0.00 58.31 55.76 1wpo n LYS 255 Cb 0.31 -1.55 0.76 0.00 -1.84 0.00 0.00 35.03 32.71 1wpo n LYS 255 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03