#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ipw h LEU 2 N 0.00 0.00 -1.95 1.04 3.38 -1.93 -2.10 115.31 113.75 1ipw h LEU 2 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1ipw h LEU 2 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1ipw h LEU 2 CO 0.00 0.12 -0.03 -0.07 0.09 0.00 0.00 178.44 178.54 1ipw h LEU 3 N 0.00 0.00 -1.69 1.67 3.38 -1.92 -2.63 115.31 114.12 1ipw h LEU 3 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ipw h LEU 3 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1ipw h LEU 3 CO 0.02 0.03 0.00 0.59 0.09 0.00 0.00 178.44 179.17 1ipw n ASN 4 N -3.19 2.61 -4.73 -0.43 3.02 -0.79 -4.92 115.26 106.83 1ipw n ASN 4 Ca -0.01 -1.86 -0.42 0.00 -0.03 0.00 0.00 54.58 52.27 1ipw n ASN 4 Cb 0.24 -0.04 -0.03 0.00 -0.61 0.00 0.00 39.78 39.33 1ipw n ASN 4 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1ipw s VAL 5 N -1.91 3.30 0.83 2.41 1.01 -1.00 -5.00 120.40 120.04 1ipw s VAL 5 Ca 0.32 1.03 -0.11 0.00 0.00 0.00 0.00 61.98 63.21 1ipw s VAL 5 Cb 0.20 -3.66 0.09 0.00 0.00 0.00 0.00 36.38 33.02 1ipw s VAL 5 CO 0.31 0.13 1.09 -2.16 0.00 0.00 0.00 175.10 174.47 1ipw s PRO 6 N 0.23 1.82 0.34 2.72 0.04 -1.26 -4.70 135.00 134.19 1ipw s PRO 6 Ca 0.58 0.74 0.07 0.00 0.04 0.00 0.00 61.00 62.44 1ipw s PRO 6 Cb -0.36 -1.88 0.63 0.00 0.04 0.00 0.00 34.50 32.93 1ipw s PRO 6 CO 0.36 -1.83 1.83 0.00 0.04 0.00 0.00 177.00 177.39 1ipw h ALA 7 N -1.25 1.33 0.00 8.56 0.00 -1.89 -3.42 119.26 122.59 1ipw h ALA 7 Ca -0.48 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.15 1ipw h ALA 7 Cb 1.27 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1ipw h ALA 7 CO 0.57 0.45 0.00 0.41 0.00 0.00 0.00 179.25 180.68 1ipw n GLY 8 N -0.62 0.11 0.17 0.00 0.00 -1.26 -1.63 105.19 101.96 1ipw n GLY 8 Ca -0.01 -1.04 -0.21 0.00 0.00 0.00 0.00 46.02 44.77 1ipw n GLY 8 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ipw h LYS 9 N 0.00 0.60 -1.81 1.61 1.79 -1.37 -3.43 116.57 113.97 1ipw h LYS 9 Ca 0.00 -0.72 -0.31 0.00 -2.18 0.00 0.00 60.65 57.44 1ipw h LYS 9 Cb 0.00 0.22 -0.29 0.00 -1.58 0.00 0.00 32.23 30.58 1ipw h LYS 9 CO 0.00 1.31 -0.64 0.34 -1.08 0.00 0.00 179.45 179.38 1ipw s ASP 10 N -7.24 0.76 0.32 0.86 2.15 0.12 -5.00 116.67 108.64 1ipw s ASP 10 Ca -0.10 -1.29 -0.29 0.00 0.43 0.00 0.00 52.55 51.30 1ipw s ASP 10 Cb 0.05 0.80 -0.11 0.00 -0.30 0.00 0.00 42.92 43.37 1ipw s ASP 10 CO 0.90 -0.27 1.42 -0.76 -0.17 0.00 0.00 175.17 176.29 1ipw s LEU 11 N 1.67 4.38 0.00 -1.34 1.43 -1.25 0.14 118.68 123.71 1ipw s LEU 11 Ca 0.15 2.82 0.23 0.00 -1.03 0.00 0.00 54.13 56.30 1ipw s LEU 11 Cb -0.13 -3.65 0.51 0.00 0.03 0.00 0.00 46.19 42.95 1ipw s LEU 11 CO -0.09 -0.71 1.45 -0.81 0.23 0.00 0.00 176.35 176.42 1ipw n PRO 12 N 1.14 2.60 -0.02 1.29 -0.04 -1.26 -4.86 135.00 133.84 1ipw n PRO 12 Ca 0.02 -2.44 -0.16 0.00 -0.04 0.00 0.00 63.50 60.88 1ipw n PRO 12 Cb 0.40 -1.53 -0.09 0.00 -0.04 0.00 0.00 33.50 32.24 1ipw n PRO 12 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1ipw h GLU 13 N 4.33 0.42 -4.57 0.54 4.39 -1.69 -3.40 114.58 114.60 1ipw h GLU 13 Ca 0.00 -0.37 -0.65 0.00 0.34 0.00 0.00 59.36 58.69 1ipw h GLU 13 Cb 0.98 0.08 -0.39 0.00 -0.10 0.00 0.00 28.75 29.33 1ipw h GLU 13 CO 0.00 1.01 -0.76 0.34 -1.16 0.00 0.00 179.01 178.44 1ipw s ASP 14 N -6.58 4.40 0.33 1.42 2.15 0.12 -4.25 116.67 114.26 1ipw s ASP 14 Ca -0.13 -1.66 0.07 0.00 0.43 0.00 0.00 52.55 51.25 1ipw s ASP 14 Cb 0.04 -1.44 -0.06 0.00 -0.30 0.00 0.00 42.92 41.16 1ipw s ASP 14 CO 0.80 -0.29 -0.02 0.27 -0.17 0.00 0.00 175.17 175.76 1ipw s ILE 15 N 1.14 1.71 -0.07 4.11 -4.36 -0.50 -0.71 121.20 122.52 1ipw s ILE 15 Ca 0.01 -2.08 0.04 0.00 -0.26 0.00 0.00 60.65 58.36 1ipw s ILE 15 Cb -0.19 -2.68 -0.02 0.00 1.25 0.00 0.00 42.46 40.83 1ipw s ILE 15 CO -0.08 -0.15 -0.19 -0.31 0.24 0.00 0.00 174.94 174.44 1ipw s TYR 16 N -2.95 2.60 -0.17 1.37 2.02 -0.65 -0.72 117.35 118.86 1ipw s TYR 16 Ca 0.33 -0.56 -0.01 0.00 -0.37 0.00 0.00 57.07 56.46 1ipw s TYR 16 Cb 0.06 -1.67 -0.00 0.00 -0.40 0.00 0.00 41.96 39.95 1ipw s TYR 16 CO 0.15 -0.11 -0.13 0.08 -1.57 0.00 0.00 175.55 173.96 1ipw s VAL 17 N -0.18 2.79 -0.38 0.71 1.01 0.38 -4.37 120.40 120.35 1ipw s VAL 17 Ca -0.02 -0.72 -0.25 0.00 0.00 0.00 0.00 61.98 61.00 1ipw s VAL 17 Cb -0.14 -2.20 0.02 0.00 0.00 0.00 0.00 36.38 34.06 1ipw s VAL 17 CO 0.03 0.50 0.86 -0.69 0.00 0.00 0.00 175.10 175.81 1ipw s VAL 18 N 0.96 4.63 0.08 2.92 1.01 0.57 -0.83 120.40 129.74 1ipw s VAL 18 Ca -0.02 0.97 -0.30 0.00 0.00 0.00 0.00 61.98 62.62 1ipw s VAL 18 Cb -0.15 -4.30 -0.05 0.00 0.00 0.00 0.00 36.38 31.88 1ipw s VAL 18 CO -0.02 -0.55 1.04 -0.63 0.00 0.00 0.00 175.10 174.94 1ipw s ILE 19 N 3.36 4.41 -0.07 2.22 -1.09 0.60 -1.41 121.20 129.23 1ipw s ILE 19 Ca 0.35 1.87 0.03 0.00 -2.23 0.00 0.00 60.65 60.66 1ipw s ILE 19 Cb -0.12 -4.19 -0.06 0.00 -1.58 0.00 0.00 42.46 36.51 1ipw s ILE 19 CO 0.19 0.22 -0.03 -0.62 -1.23 0.00 0.00 174.94 173.48 1ipw n GLU 20 N 3.29 1.45 -4.05 2.79 1.02 0.70 0.10 120.64 125.94 1ipw n GLU 20 Ca 0.05 0.02 -0.28 0.00 -0.02 0.00 0.00 57.16 56.93 1ipw n GLU 20 Cb 0.49 -1.15 -0.17 0.00 -0.02 0.00 0.00 31.44 30.59 1ipw n GLU 20 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1ipw s ILE 21 N -2.14 1.24 0.77 -3.67 1.01 -0.16 -4.51 121.20 113.74 1ipw s ILE 21 Ca -0.07 -0.44 -0.11 0.00 0.00 0.00 0.00 60.65 60.03 1ipw s ILE 21 Cb 0.02 -1.20 0.05 0.00 0.01 0.00 0.00 42.46 41.34 1ipw s ILE 21 CO 0.20 0.40 1.08 -2.84 0.00 0.00 0.00 174.94 173.78 1ipw s PRO 22 N 1.48 2.30 0.55 2.79 0.02 -1.26 0.30 135.00 141.18 1ipw s PRO 22 Ca 0.02 1.05 -0.18 0.00 0.02 0.00 0.00 61.00 61.92 1ipw s PRO 22 Cb -0.13 -1.91 -0.06 0.00 0.02 0.00 0.00 34.50 32.42 1ipw s PRO 22 CO -0.07 -1.58 1.07 0.00 -0.33 0.00 0.00 177.00 176.09 1ipw s ALA 23 N -2.95 2.75 -1.22 -1.55 0.00 -1.26 -4.05 121.76 113.48 1ipw s ALA 23 Ca 0.61 0.57 -0.26 0.00 0.00 0.00 0.00 51.96 52.88 1ipw s ALA 23 Cb -0.16 -3.27 0.02 0.00 0.00 0.00 0.00 23.12 19.71 1ipw s ALA 23 CO 0.56 -0.66 0.67 -1.71 0.00 0.00 0.00 175.76 174.61 1ipw n ASN 24 N -1.53 -4.03 -4.62 0.00 5.15 -0.56 -4.75 115.26 104.92 1ipw n ASN 24 Ca 0.10 -1.18 -0.32 0.00 -0.60 0.00 0.00 54.58 52.57 1ipw n ASN 24 Cb 0.52 -2.36 -0.07 0.00 -0.53 0.00 0.00 39.78 37.34 1ipw n ASN 24 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ipw s ALA 25 N -3.58 3.99 0.56 5.20 0.00 -1.26 -5.05 121.76 121.62 1ipw s ALA 25 Ca 0.43 -0.32 -0.20 0.00 0.00 0.00 0.00 51.96 51.86 1ipw s ALA 25 Cb -0.20 0.17 -0.04 0.00 0.00 0.00 0.00 23.12 23.05 1ipw s ALA 25 CO 0.93 -0.08 1.27 -0.51 0.00 0.00 0.00 175.76 177.37 1ipw s ASP 26 N -3.84 5.26 -0.70 0.00 1.01 -1.26 -4.78 116.67 112.36 1ipw s ASP 26 Ca 0.06 2.55 -0.10 0.00 0.71 0.00 0.00 52.55 55.77 1ipw s ASP 26 Cb 0.01 -2.62 -0.08 0.00 1.01 0.00 0.00 42.92 41.24 1ipw s ASP 26 CO 0.04 -1.55 1.87 -0.81 0.21 0.00 0.00 175.17 174.93 1ipw n PRO 27 N -1.27 1.54 -4.41 8.23 -0.04 -1.26 -4.81 135.00 132.98 1ipw n PRO 27 Ca 0.12 -1.38 -0.33 0.00 -0.04 0.00 0.00 63.50 61.86 1ipw n PRO 27 Cb 0.47 -2.49 -0.15 0.00 -0.04 0.00 0.00 33.50 31.29 1ipw n PRO 27 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1ipw s ILE 28 N 4.19 2.83 -0.46 0.52 1.01 -1.26 -1.19 121.20 126.83 1ipw s ILE 28 Ca 0.39 -0.71 -0.17 0.00 0.00 0.00 0.00 60.65 60.16 1ipw s ILE 28 Cb 0.10 -2.22 0.05 0.00 0.01 0.00 0.00 42.46 40.40 1ipw s ILE 28 CO 0.02 0.50 0.47 -0.75 0.00 0.00 0.00 174.94 175.18 1ipw s LYS 29 N 0.90 3.06 0.37 2.79 2.20 0.65 -4.94 119.74 124.78 1ipw s LYS 29 Ca -0.03 -0.99 0.04 0.00 -0.36 0.00 0.00 55.97 54.63 1ipw s LYS 29 Cb -0.15 -4.05 -0.01 0.00 -1.51 0.00 0.00 37.83 32.11 1ipw s LYS 29 CO -0.01 -1.00 0.54 0.71 -0.36 0.00 0.00 175.35 175.24 1ipw s TYR 30 N 2.10 3.19 -0.23 4.03 2.02 -1.26 0.97 117.35 128.16 1ipw s TYR 30 Ca 0.10 -0.02 -0.20 0.00 -0.37 0.00 0.00 57.07 56.58 1ipw s TYR 30 Cb -0.20 -2.09 0.06 0.00 -0.40 0.00 0.00 41.96 39.33 1ipw s TYR 30 CO 0.11 -0.12 0.61 -1.83 -1.57 0.00 0.00 175.55 172.75 1ipw s GLU 31 N -4.32 0.70 -0.31 -0.62 -1.05 0.11 -4.72 118.70 108.50 1ipw s GLU 31 Ca 0.45 0.86 -0.29 0.00 -0.15 0.00 0.00 54.97 55.85 1ipw s GLU 31 Cb -0.10 0.32 0.01 0.00 -0.44 0.00 0.00 34.13 33.92 1ipw s GLU 31 CO 0.34 -0.09 1.24 0.42 0.95 0.00 0.00 175.26 178.12 1ipw s ILE 32 N 0.43 4.23 -0.06 1.83 -1.09 -1.26 -0.15 121.20 125.12 1ipw s ILE 32 Ca -0.01 1.39 -0.29 0.00 -2.23 0.00 0.00 60.65 59.51 1ipw s ILE 32 Cb -0.04 -4.23 -0.07 0.00 -1.58 0.00 0.00 42.46 36.54 1ipw s ILE 32 CO -0.01 -0.49 1.96 -0.62 -1.23 0.00 0.00 174.94 174.55 1ipw s ASP 33 N 2.50 6.22 0.62 3.58 2.15 0.17 -4.85 116.67 127.07 1ipw s ASP 33 Ca 0.53 2.32 0.33 0.00 0.43 0.00 0.00 52.55 56.16 1ipw s ASP 33 Cb -0.15 -2.53 1.88 0.00 -0.30 0.00 0.00 42.92 41.83 1ipw s ASP 33 CO 0.22 -1.28 2.18 0.11 -0.17 0.00 0.00 175.17 176.22 1ipw h LYS 34 N 11.58 0.00 0.18 4.34 6.56 -1.93 0.90 116.57 138.20 1ipw h LYS 34 Ca -0.45 0.00 -0.31 0.00 -1.06 0.00 0.00 60.65 58.83 1ipw h LYS 34 Cb 1.22 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 32.90 1ipw h LYS 34 CO 0.95 0.00 -1.49 0.93 -2.06 0.00 0.00 179.45 177.78 1ipw h GLU 35 N 0.00 0.38 0.00 3.15 4.39 -1.97 -3.39 114.58 117.15 1ipw h GLU 35 Ca 0.04 -0.65 -0.29 0.00 0.34 0.00 0.00 59.36 58.80 1ipw h GLU 35 Cb 0.29 0.24 -0.06 0.00 -0.10 0.00 0.00 28.75 29.13 1ipw h GLU 35 CO -0.00 1.31 -2.29 -1.13 -1.16 0.00 0.00 179.01 175.74 1ipw n SER 36 N -3.77 0.08 0.00 1.42 3.41 -1.11 -4.98 113.62 108.68 1ipw n SER 36 Ca -0.22 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.39 1ipw n SER 36 Cb 1.01 1.19 0.00 0.00 -0.26 0.00 0.00 64.21 66.15 1ipw n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ipw n GLY 37 N 1.67 0.58 3.89 5.00 0.00 0.31 -4.94 105.19 111.71 1ipw n GLY 37 Ca -0.27 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.46 1ipw n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ipw s ALA 38 N -2.07 3.46 -0.40 4.61 0.00 -1.24 -4.61 121.76 121.51 1ipw s ALA 38 Ca 0.00 -0.39 -0.28 0.00 0.00 0.00 0.00 51.96 51.29 1ipw s ALA 38 Cb 0.00 -2.53 0.02 0.00 0.00 0.00 0.00 23.12 20.61 1ipw s ALA 38 CO 0.00 0.02 1.04 -1.17 0.00 0.00 0.00 175.76 175.65 1ipw s LEU 39 N -3.90 3.86 0.09 0.00 2.96 -1.26 0.46 118.68 120.89 1ipw s LEU 39 Ca 0.48 0.64 0.03 0.00 -0.22 0.00 0.00 54.13 55.05 1ipw s LEU 39 Cb -0.10 -3.43 -0.04 0.00 0.50 0.00 0.00 46.19 43.12 1ipw s LEU 39 CO 0.33 -1.01 0.13 -0.36 -1.32 0.00 0.00 176.35 174.12 1ipw s PHE 40 N 3.87 3.28 -0.29 5.38 0.40 0.78 -4.93 117.98 126.47 1ipw s PHE 40 Ca 0.43 0.11 -0.25 0.00 -0.60 0.00 0.00 56.93 56.62 1ipw s PHE 40 Cb -0.10 -1.64 0.00 0.00 0.51 0.00 0.00 43.02 41.79 1ipw s PHE 40 CO 0.23 0.54 0.85 0.08 0.70 0.00 0.00 175.22 177.62 1ipw s VAL 41 N -1.49 4.75 -0.09 -0.44 1.01 -1.26 -0.71 120.40 122.17 1ipw s VAL 41 Ca 0.31 1.37 -0.24 0.00 0.00 0.00 0.00 61.98 63.42 1ipw s VAL 41 Cb -0.12 -4.19 -0.29 0.00 0.00 0.00 0.00 36.38 31.78 1ipw s VAL 41 CO 0.24 -0.26 0.81 -0.78 0.00 0.00 0.00 175.10 175.11 1ipw h ASP 42 N 8.01 0.28 -4.21 3.32 3.58 0.32 -3.47 116.42 124.25 1ipw h ASP 42 Ca -0.23 -0.95 0.26 0.00 0.42 0.00 0.00 57.03 56.52 1ipw h ASP 42 Cb 1.09 -0.09 -0.19 0.00 1.72 0.00 0.00 39.33 41.86 1ipw h ASP 42 CO 0.91 1.27 0.82 0.00 -2.88 0.00 0.00 179.24 179.36 1ipw s ARG 43 N -2.35 0.29 -0.40 0.28 1.70 -0.90 -5.01 118.95 112.55 1ipw s ARG 43 Ca -0.16 -0.10 -0.18 0.00 -0.47 0.00 0.00 55.73 54.81 1ipw s ARG 43 Cb -0.00 0.13 0.01 0.00 -0.57 0.00 0.00 34.95 34.53 1ipw s ARG 43 CO 0.77 -0.13 0.50 -0.06 -1.08 0.00 0.00 175.30 175.31 1ipw s PHE 44 N -2.37 3.15 0.30 5.89 0.08 -1.26 -0.25 117.98 123.52 1ipw s PHE 44 Ca 0.09 -0.15 -0.29 0.00 0.12 0.00 0.00 56.93 56.71 1ipw s PHE 44 Cb -0.01 -3.00 -0.13 0.00 -0.57 0.00 0.00 43.02 39.31 1ipw s PHE 44 CO -0.04 -0.69 1.26 -1.33 -0.10 0.00 0.00 175.22 174.31 1ipw n MET 45 N 5.79 1.92 0.08 0.44 2.81 -0.33 -4.92 117.12 122.90 1ipw n MET 45 Ca -0.05 0.68 0.12 0.00 -1.81 0.00 0.00 57.70 56.63 1ipw n MET 45 Cb 0.48 -2.23 0.13 0.00 -0.71 0.00 0.00 33.22 30.89 1ipw n MET 45 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1ipw h SER 46 N 2.86 0.00 -2.76 7.83 4.64 -1.88 -3.47 113.55 120.77 1ipw h SER 46 Ca -0.44 -0.15 -0.47 0.00 -0.47 0.00 0.00 61.79 60.26 1ipw h SER 46 Cb 1.29 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.40 1ipw h SER 46 CO 0.66 0.08 -0.15 0.42 -0.87 0.00 0.00 176.83 176.96 1ipw s THR 47 N -3.21 4.68 -1.22 2.95 -4.23 -1.26 -4.95 115.64 108.39 1ipw s THR 47 Ca 0.05 -0.48 -0.06 0.00 -1.18 0.00 0.00 61.69 60.03 1ipw s THR 47 Cb 0.12 -3.71 0.20 0.00 1.34 0.00 0.00 72.50 70.45 1ipw s THR 47 CO 0.73 -0.48 1.99 0.00 -0.54 0.00 0.00 174.62 176.33 1ipw n ALA 48 N -1.90 6.00 -2.28 3.99 0.00 -1.26 -4.91 120.51 120.14 1ipw n ALA 48 Ca -0.02 -4.37 -0.15 0.00 0.00 0.00 0.00 53.44 48.90 1ipw n ALA 48 Cb 0.57 -2.66 -0.10 0.00 0.00 0.00 0.00 19.45 17.26 1ipw n ALA 48 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1ipw s MET 49 N -1.55 1.17 -0.01 0.00 -1.94 -1.26 -5.16 119.30 110.56 1ipw s MET 49 Ca 0.43 -1.53 -0.04 0.00 -1.71 0.00 0.00 55.69 52.84 1ipw s MET 49 Cb 0.14 -0.67 -0.00 0.00 2.01 0.00 0.00 34.83 36.31 1ipw s MET 49 CO -0.04 0.03 0.07 -0.59 -0.01 0.00 0.00 175.02 174.49 1ipw s PHE 50 N -3.32 0.05 0.17 -0.03 -0.12 -1.26 -4.55 117.98 108.93 1ipw s PHE 50 Ca 0.21 -0.11 -0.32 0.00 -0.05 0.00 0.00 56.93 56.66 1ipw s PHE 50 Cb 0.03 -0.06 -0.11 0.00 -0.63 0.00 0.00 43.02 42.25 1ipw s PHE 50 CO 0.04 -0.17 1.78 0.71 -0.05 0.00 0.00 175.22 177.52 1ipw s TYR 51 N -0.89 2.57 -0.93 3.49 1.51 -1.26 -4.83 117.35 117.02 1ipw s TYR 51 Ca -0.10 0.17 0.21 0.00 -1.01 0.00 0.00 57.07 56.34 1ipw s TYR 51 Cb -0.06 -4.17 0.87 0.00 -0.11 0.00 0.00 41.96 38.50 1ipw s TYR 51 CO 0.00 -4.60 1.66 -2.30 -1.11 0.00 0.00 175.55 169.21 1ipw n PRO 52 N 4.70 0.04 -4.13 -1.71 -0.02 -1.26 -1.49 135.00 131.13 1ipw n PRO 52 Ca 0.17 0.18 -0.10 0.00 -2.02 0.00 0.00 63.50 61.73 1ipw n PRO 52 Cb 0.36 -1.56 -0.09 0.00 -0.02 0.00 0.00 33.50 32.19 1ipw n PRO 52 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ipw s ASN 54 N -3.06 6.85 -0.04 0.00 0.01 -1.05 -4.05 114.94 113.60 1ipw s ASN 54 Ca 0.26 2.43 0.05 0.00 -0.71 0.00 0.00 52.86 54.89 1ipw s ASN 54 Cb 0.07 -2.63 -0.01 0.00 0.41 0.00 0.00 41.25 39.09 1ipw s ASN 54 CO 0.04 -0.45 -0.21 -0.47 -1.51 0.00 0.00 177.10 174.49 1ipw s TYR 55 N -1.25 2.05 0.00 2.20 5.04 0.15 -0.06 117.35 125.47 1ipw s TYR 55 Ca 0.50 -0.57 0.00 0.00 -2.44 0.00 0.00 57.07 54.57 1ipw s TYR 55 Cb -0.34 -1.35 0.00 0.00 0.35 0.00 0.00 41.96 40.62 1ipw s TYR 55 CO 0.44 -0.17 0.00 0.41 -1.34 0.00 0.00 175.55 174.89 1ipw n GLY 56 N 2.97 2.38 3.52 8.97 0.00 0.07 -0.21 105.19 122.89 1ipw n GLY 56 Ca -0.17 -0.34 -0.10 0.00 0.00 0.00 0.00 46.02 45.41 1ipw n GLY 56 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ipw s TYR 57 N -0.86 0.56 -0.22 1.61 1.13 -0.50 -0.54 117.35 118.53 1ipw s TYR 57 Ca 0.00 -0.89 -0.11 0.00 -1.41 0.00 0.00 57.07 54.66 1ipw s TYR 57 Cb 0.00 0.06 -0.05 0.00 -1.10 0.00 0.00 41.96 40.87 1ipw s TYR 57 CO 0.00 -0.97 0.20 0.42 -2.51 0.00 0.00 175.55 172.69 1ipw s ILE 58 N -3.91 5.35 0.75 -3.49 1.01 -0.86 -0.32 121.20 119.74 1ipw s ILE 58 Ca 0.26 0.29 -0.11 0.00 0.00 0.00 0.00 60.65 61.08 1ipw s ILE 58 Cb 0.00 -3.53 0.04 0.00 0.01 0.00 0.00 42.46 38.98 1ipw s ILE 58 CO 0.11 0.36 1.08 0.21 0.00 0.00 0.00 174.94 176.70 1ipw s ASN 59 N 0.80 4.86 -1.54 3.58 2.47 -1.26 -3.83 114.94 120.02 1ipw s ASN 59 Ca 0.10 1.53 -0.05 0.00 0.42 0.00 0.00 52.86 54.86 1ipw s ASN 59 Cb -0.13 -2.33 0.01 0.00 -1.45 0.00 0.00 41.25 37.35 1ipw s ASN 59 CO 0.03 -1.76 0.67 1.41 -3.72 0.00 0.00 177.10 173.73 1ipw n HIS 60 N -3.33 -2.06 -4.14 0.43 8.25 -1.26 -4.00 115.22 109.11 1ipw n HIS 60 Ca 0.08 0.57 -0.16 0.00 -0.26 0.00 0.00 57.72 57.95 1ipw n HIS 60 Cb 0.54 -4.57 -0.12 0.00 1.12 0.00 0.00 29.99 26.97 1ipw n HIS 60 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1ipw s THR 61 N -3.20 0.93 -0.17 1.59 -4.23 -1.25 -4.51 115.64 104.80 1ipw s THR 61 Ca 0.33 -1.32 -0.05 0.00 -1.18 0.00 0.00 61.69 59.47 1ipw s THR 61 Cb -0.15 -1.01 0.06 0.00 1.34 0.00 0.00 72.50 72.74 1ipw s THR 61 CO 0.41 -0.34 0.09 -0.22 -0.54 0.00 0.00 174.62 174.03 1ipw s LEU 62 N -1.85 0.31 0.00 4.79 2.96 -0.01 -3.67 118.68 121.20 1ipw s LEU 62 Ca -0.02 -0.56 0.00 0.00 -0.22 0.00 0.00 54.13 53.33 1ipw s LEU 62 Cb -0.08 -0.21 0.00 0.00 0.50 0.00 0.00 46.19 46.40 1ipw s LEU 62 CO 0.01 -0.34 0.00 -1.54 -1.32 0.00 0.00 176.35 173.16 1ipw n SER 63 N 5.28 0.00 0.07 3.68 3.41 0.32 -4.47 113.62 121.90 1ipw n SER 63 Ca -0.07 -0.27 -0.16 0.00 -0.26 0.00 0.00 58.87 58.11 1ipw n SER 63 Cb 0.49 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.30 1ipw n SER 63 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1ipw h LEU 64 N 0.00 0.37 0.00 1.04 3.38 -1.97 -3.12 115.31 115.01 1ipw h LEU 64 Ca 0.00 -0.50 0.00 0.00 0.09 0.00 0.00 57.88 57.47 1ipw h LEU 64 Cb 0.00 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.63 1ipw h LEU 64 CO 0.00 1.41 0.00 -0.90 0.09 0.00 0.00 178.44 179.04 1ipw n ASP 65 N -3.45 0.00 0.00 -0.43 5.68 -1.26 -4.87 116.55 112.22 1ipw n ASP 65 Ca -0.15 0.15 0.00 0.00 -0.50 0.00 0.00 54.79 54.30 1ipw n ASP 65 Cb 1.04 -0.35 0.00 0.00 -1.14 0.00 0.00 41.12 40.67 1ipw n ASP 65 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ipw n GLY 66 N 0.34 2.54 0.14 6.12 0.00 -1.18 -5.05 105.19 108.10 1ipw n GLY 66 Ca 0.08 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.09 1ipw n GLY 66 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ipw n ASP 67 N 0.00 0.06 -4.90 1.61 8.00 -1.26 -4.56 116.55 115.50 1ipw n ASP 67 Ca 0.00 -1.05 -0.29 0.00 0.71 0.00 0.00 54.79 54.16 1ipw n ASP 67 Cb 0.00 -0.02 0.07 0.00 -0.02 0.00 0.00 41.12 41.15 1ipw n ASP 67 CO 0.00 0.00 0.00 -2.84 -0.39 0.00 0.00 177.20 173.97 1ipw s PRO 68 N -2.29 2.38 -0.04 -0.24 0.02 -1.24 0.12 135.00 133.70 1ipw s PRO 68 Ca 0.02 0.20 -0.30 0.00 0.02 0.00 0.00 61.00 60.94 1ipw s PRO 68 Cb -0.00 -2.02 -0.07 0.00 0.02 0.00 0.00 34.50 32.43 1ipw s PRO 68 CO 0.01 -1.30 1.86 0.08 -0.33 0.00 0.00 177.00 177.32 1ipw s VAL 69 N -3.43 3.27 -0.07 3.83 1.01 -1.26 -4.64 120.40 119.11 1ipw s VAL 69 Ca 0.60 0.32 -0.17 0.00 0.00 0.00 0.00 61.98 62.73 1ipw s VAL 69 Cb -0.11 -3.23 -0.05 0.00 0.00 0.00 0.00 36.38 32.99 1ipw s VAL 69 CO 0.49 -0.05 0.45 1.51 0.00 0.00 0.00 175.10 177.50 1ipw s ASP 70 N 4.46 6.73 -0.01 3.32 1.47 -1.26 -2.02 116.67 129.36 1ipw s ASP 70 Ca 0.83 0.87 0.07 0.00 1.18 0.00 0.00 52.55 55.50 1ipw s ASP 70 Cb -0.37 -2.27 -0.02 0.00 -0.34 0.00 0.00 42.92 39.92 1ipw s ASP 70 CO 0.36 0.14 -0.22 -0.69 0.68 0.00 0.00 175.17 175.43 1ipw s VAL 71 N -0.07 1.74 -0.13 2.11 1.01 0.30 -1.28 120.40 124.08 1ipw s VAL 71 Ca 0.25 -0.98 -0.04 0.00 0.00 0.00 0.00 61.98 61.21 1ipw s VAL 71 Cb -0.16 -1.45 -0.03 0.00 0.00 0.00 0.00 36.38 34.74 1ipw s VAL 71 CO 0.11 0.46 0.02 -0.76 0.00 0.00 0.00 175.10 174.93 1ipw s LEU 72 N -0.60 3.61 -0.22 3.92 1.43 -0.67 -0.75 118.68 125.40 1ipw s LEU 72 Ca 0.08 0.08 -0.02 0.00 -1.03 0.00 0.00 54.13 53.24 1ipw s LEU 72 Cb -0.09 -1.86 0.07 0.00 0.03 0.00 0.00 46.19 44.34 1ipw s LEU 72 CO -0.00 0.28 0.05 -0.69 0.23 0.00 0.00 176.35 176.21 1ipw s VAL 73 N -0.28 0.58 0.31 -1.59 1.01 0.91 -1.32 120.40 120.01 1ipw s VAL 73 Ca 0.07 -0.72 -0.29 0.00 0.00 0.00 0.00 61.98 61.04 1ipw s VAL 73 Cb -0.12 -1.15 -0.10 0.00 0.00 0.00 0.00 36.38 35.01 1ipw s VAL 73 CO 0.02 -0.31 1.14 -2.16 0.00 0.00 0.00 175.10 173.80 1ipw s PRO 74 N 1.82 4.50 0.08 2.72 0.04 -1.25 -2.52 135.00 140.39 1ipw s PRO 74 Ca 0.01 1.87 -0.04 0.00 0.04 0.00 0.00 61.00 62.89 1ipw s PRO 74 Cb -0.17 -3.08 -0.03 0.00 0.04 0.00 0.00 34.50 31.26 1ipw s PRO 74 CO -0.12 0.06 0.06 0.95 0.04 0.00 0.00 177.00 177.99 1ipw s THR 75 N -1.21 0.17 0.24 1.26 -4.23 -1.26 -4.34 115.64 106.26 1ipw s THR 75 Ca 0.47 -1.63 -0.05 0.00 -1.18 0.00 0.00 61.69 59.31 1ipw s THR 75 Cb -0.33 -1.58 0.13 0.00 1.34 0.00 0.00 72.50 72.07 1ipw s THR 75 CO 0.42 -0.77 1.76 -0.65 -0.54 0.00 0.00 174.62 174.85 1ipw h PRO 76 N 2.95 0.98 -5.88 3.99 0.11 -2.03 -3.44 132.00 128.69 1ipw h PRO 76 Ca -0.34 -0.23 -0.52 0.00 0.11 0.00 0.00 66.00 65.02 1ipw h PRO 76 Cb 1.17 -0.13 -0.23 0.00 0.11 0.00 0.00 31.00 31.92 1ipw h PRO 76 CO 0.61 0.88 -0.82 0.71 -0.21 0.00 0.00 178.00 179.17 1ipw s TYR 77 N -5.22 1.61 0.44 0.65 2.02 -1.26 -5.12 117.35 110.47 1ipw s TYR 77 Ca -0.11 -0.41 -0.25 0.00 -0.37 0.00 0.00 57.07 55.94 1ipw s TYR 77 Cb 0.15 -0.91 -0.09 0.00 -0.40 0.00 0.00 41.96 40.71 1ipw s TYR 77 CO 0.83 0.13 1.28 -2.30 -1.57 0.00 0.00 175.55 173.91 1ipw n PRO 78 N 1.41 1.89 -3.48 -1.71 -0.02 -1.26 -4.97 135.00 126.86 1ipw n PRO 78 Ca -0.19 0.68 -0.20 0.00 -2.02 0.00 0.00 63.50 61.76 1ipw n PRO 78 Cb 0.54 -2.41 -0.01 0.00 -0.02 0.00 0.00 33.50 31.60 1ipw n PRO 78 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1ipw s LEU 79 N -1.92 3.99 0.13 2.45 1.43 -1.26 -4.96 118.68 118.55 1ipw s LEU 79 Ca 0.62 -0.02 -0.30 0.00 -1.03 0.00 0.00 54.13 53.41 1ipw s LEU 79 Cb -0.49 -2.88 -0.06 0.00 0.03 0.00 0.00 46.19 42.79 1ipw s LEU 79 CO 0.57 -0.40 0.96 -1.58 0.23 0.00 0.00 176.35 176.13 1ipw s GLN 80 N -4.21 4.72 0.43 1.70 2.00 -1.26 -4.41 119.66 118.63 1ipw s GLN 80 Ca 0.43 1.46 -0.26 0.00 -2.00 0.00 0.00 55.36 54.99 1ipw s GLN 80 Cb -0.09 -3.36 -0.09 0.00 0.80 0.00 0.00 33.01 30.26 1ipw s GLN 80 CO 0.32 0.26 1.46 -2.30 -0.50 0.00 0.00 175.29 174.53 1ipw n PRO 81 N 2.59 2.40 -0.89 1.67 -0.02 -1.26 -1.43 135.00 138.06 1ipw n PRO 81 Ca 0.02 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.35 1ipw n PRO 81 Cb 0.49 -2.65 0.00 0.00 -0.02 0.00 0.00 33.50 31.31 1ipw n PRO 81 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ipw n GLY 82 N 0.53 0.79 3.93 -1.23 0.00 0.28 -4.98 105.19 104.51 1ipw n GLY 82 Ca 0.04 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 1ipw n GLY 82 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ipw s SER 83 N -2.60 6.29 -0.12 1.61 1.04 -0.51 -4.81 113.70 114.60 1ipw s SER 83 Ca 0.00 0.60 0.02 0.00 0.48 0.00 0.00 55.95 57.05 1ipw s SER 83 Cb 0.00 -2.10 -0.01 0.00 0.10 0.00 0.00 66.02 64.01 1ipw s SER 83 CO 0.00 -0.38 -0.19 -0.69 0.98 0.00 0.00 173.24 172.97 1ipw s VAL 84 N -2.43 2.52 -0.03 5.02 1.01 -1.26 -0.29 120.40 124.93 1ipw s VAL 84 Ca 0.42 -0.85 0.07 0.00 0.00 0.00 0.00 61.98 61.62 1ipw s VAL 84 Cb -0.10 -2.01 -0.01 0.00 0.00 0.00 0.00 36.38 34.25 1ipw s VAL 84 CO 0.38 0.54 -0.23 -0.51 0.00 0.00 0.00 175.10 175.29 1ipw s ILE 85 N 0.36 1.80 -0.20 2.22 2.07 -0.01 -4.92 121.20 122.53 1ipw s ILE 85 Ca -0.15 -0.96 -0.26 0.00 -1.41 0.00 0.00 60.65 57.87 1ipw s ILE 85 Cb -0.17 -1.51 -0.01 0.00 0.13 0.00 0.00 42.46 40.91 1ipw s ILE 85 CO 0.07 0.51 0.86 -0.60 -1.91 0.00 0.00 174.94 173.87 1ipw s ARG 86 N -0.40 4.25 0.26 3.50 3.52 -1.26 -0.47 118.95 128.34 1ipw s ARG 86 Ca 0.05 1.04 0.02 0.00 -0.13 0.00 0.00 55.73 56.72 1ipw s ARG 86 Cb -0.10 -3.61 -0.04 0.00 -1.56 0.00 0.00 34.95 29.65 1ipw s ARG 86 CO 0.00 -0.44 0.19 0.00 -0.81 0.00 0.00 175.30 174.24 1ipw s ARG 88 N -3.87 1.53 0.43 0.00 1.70 -0.67 -1.41 118.95 116.66 1ipw s ARG 88 Ca 0.39 -0.33 -0.26 0.00 -0.47 0.00 0.00 55.73 55.07 1ipw s ARG 88 Cb 0.05 -1.35 -0.08 0.00 -0.57 0.00 0.00 34.95 32.99 1ipw s ARG 88 CO 0.18 -0.05 1.37 -1.25 -1.08 0.00 0.00 175.30 174.48 1ipw s PRO 89 N 0.92 3.82 0.00 3.89 0.04 -1.26 -2.14 135.00 140.26 1ipw s PRO 89 Ca -0.10 2.31 0.00 0.00 0.04 0.00 0.00 61.00 63.25 1ipw s PRO 89 Cb -0.15 -2.70 0.00 0.00 0.04 0.00 0.00 34.50 31.69 1ipw s PRO 89 CO 0.01 -0.67 0.06 1.33 0.04 0.00 0.00 177.00 177.77 1ipw n VAL 90 N -0.04 0.00 0.00 -0.36 0.24 0.15 -4.85 118.33 113.47 1ipw n VAL 90 Ca 0.04 -0.08 0.00 0.00 -2.04 0.00 0.00 64.34 62.26 1ipw n VAL 90 Cb 0.42 1.63 0.00 0.00 -1.47 0.00 0.00 33.84 34.42 1ipw n VAL 90 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ipw n GLY 91 N 0.04 -0.10 3.18 7.63 0.00 -1.17 0.04 105.19 114.80 1ipw n GLY 91 Ca 0.00 -0.95 -0.11 0.00 0.00 0.00 0.00 46.02 44.96 1ipw n GLY 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ipw s VAL 92 N -2.00 -0.03 -0.34 1.61 0.11 -0.53 -1.06 120.40 118.16 1ipw s VAL 92 Ca 0.00 0.11 -0.18 0.00 -2.93 0.00 0.00 61.98 58.98 1ipw s VAL 92 Cb 0.00 -0.51 -0.00 0.00 -1.53 0.00 0.00 36.38 34.33 1ipw s VAL 92 CO 0.00 0.05 0.53 -0.22 -3.33 0.00 0.00 175.10 172.13 1ipw s LEU 93 N 1.30 4.31 -0.09 2.54 2.96 -0.01 -0.15 118.68 129.54 1ipw s LEU 93 Ca -0.09 0.05 -0.13 0.00 -0.22 0.00 0.00 54.13 53.74 1ipw s LEU 93 Cb -0.09 -2.62 -0.05 0.00 0.50 0.00 0.00 46.19 43.93 1ipw s LEU 93 CO -0.11 -0.48 0.30 -0.54 -1.32 0.00 0.00 176.35 174.21 1ipw s LYS 94 N 2.43 3.92 0.28 1.98 -0.14 0.12 -1.50 119.74 126.84 1ipw s LYS 94 Ca 0.20 0.16 -0.10 0.00 -1.36 0.00 0.00 55.97 54.87 1ipw s LYS 94 Cb -0.15 -3.29 0.00 0.00 -1.68 0.00 0.00 37.83 32.71 1ipw s LYS 94 CO 0.13 0.54 0.49 0.00 -0.76 0.00 0.00 175.35 175.75 1ipw s MET 95 N -0.49 1.68 -0.06 1.68 0.23 0.12 -0.35 119.30 122.11 1ipw s MET 95 Ca 0.19 -1.41 0.03 0.00 -1.03 0.00 0.00 55.69 53.47 1ipw s MET 95 Cb -0.14 0.47 0.01 0.00 -1.53 0.00 0.00 34.83 33.64 1ipw s MET 95 CO 0.08 -0.70 -0.13 0.99 -2.03 0.00 0.00 175.02 173.23 1ipw s THR 96 N -3.65 1.16 0.00 3.16 2.01 -0.13 0.53 115.64 118.72 1ipw s THR 96 Ca 0.25 -0.51 0.00 0.00 0.31 0.00 0.00 61.69 61.73 1ipw s THR 96 Cb -0.01 -1.04 0.00 0.00 0.01 0.00 0.00 72.50 71.46 1ipw s THR 96 CO 0.12 0.36 0.00 -0.90 -0.69 0.00 0.00 174.62 173.51 1ipw n ASP 97 N 3.64 4.46 -4.85 3.53 5.75 -1.26 0.53 116.55 128.35 1ipw n ASP 97 Ca -0.22 0.00 -0.34 0.00 -0.01 0.00 0.00 54.79 54.23 1ipw n ASP 97 Cb 0.52 0.60 -0.06 0.00 -1.03 0.00 0.00 41.12 41.15 1ipw n ASP 97 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 1ipw s GLU 101 N -1.86 3.96 0.02 0.11 2.12 -1.26 -4.85 118.70 116.94 1ipw s GLU 101 Ca 0.00 0.50 -0.08 0.00 0.36 0.00 0.00 54.97 55.75 1ipw s GLU 101 Cb 0.00 -2.76 -0.00 0.00 0.26 0.00 0.00 34.13 31.63 1ipw s GLU 101 CO 0.00 0.37 0.15 0.34 -0.54 0.00 0.00 175.26 175.57 1ipw s ASP 102 N -2.00 0.06 -0.04 -1.70 2.15 0.19 -4.90 116.67 110.44 1ipw s ASP 102 Ca 0.44 -0.33 0.02 0.00 0.43 0.00 0.00 52.55 53.11 1ipw s ASP 102 Cb -0.13 0.23 0.01 0.00 -0.30 0.00 0.00 42.92 42.73 1ipw s ASP 102 CO 0.20 -0.46 -0.07 0.00 -0.17 0.00 0.00 175.17 174.67 1ipw s ALA 103 N -2.00 0.75 -0.22 3.66 0.00 -1.26 -0.71 121.76 121.99 1ipw s ALA 103 Ca -0.10 -0.19 -0.00 0.00 0.00 0.00 0.00 51.96 51.67 1ipw s ALA 103 Cb -0.04 -0.36 0.02 0.00 0.00 0.00 0.00 23.12 22.74 1ipw s ALA 103 CO -0.01 0.07 -0.13 0.15 0.00 0.00 0.00 175.76 175.84 1ipw s LYS 104 N 0.54 2.91 0.63 0.00 -0.14 -0.56 -4.49 119.74 118.63 1ipw s LYS 104 Ca -0.08 -0.91 -0.09 0.00 -1.36 0.00 0.00 55.97 53.54 1ipw s LYS 104 Cb -0.11 -2.79 -0.00 0.00 -1.68 0.00 0.00 37.83 33.24 1ipw s LYS 104 CO 0.01 -0.31 0.99 -0.51 -0.76 0.00 0.00 175.35 174.77 1ipw s LEU 105 N 1.30 3.13 -0.14 3.17 1.43 -0.40 -0.83 118.68 126.34 1ipw s LEU 105 Ca 0.02 1.01 0.01 0.00 -1.03 0.00 0.00 54.13 54.14 1ipw s LEU 105 Cb -0.15 -3.87 0.02 0.00 0.03 0.00 0.00 46.19 42.22 1ipw s LEU 105 CO -0.08 -1.10 -0.17 -0.69 0.23 0.00 0.00 176.35 174.53 1ipw s VAL 106 N -3.15 1.76 0.06 -1.59 1.01 -0.22 -1.67 120.40 116.59 1ipw s VAL 106 Ca 0.55 -0.77 0.07 0.00 0.00 0.00 0.00 61.98 61.83 1ipw s VAL 106 Cb -0.11 -1.60 -0.03 0.00 0.00 0.00 0.00 36.38 34.64 1ipw s VAL 106 CO 0.49 0.49 -0.20 0.00 0.00 0.00 0.00 175.10 175.89 1ipw s ALA 107 N 1.17 1.66 0.18 5.51 0.00 -0.44 -0.67 121.76 129.17 1ipw s ALA 107 Ca -0.01 -1.08 0.10 0.00 0.00 0.00 0.00 51.96 50.97 1ipw s ALA 107 Cb -0.14 -0.28 -0.04 0.00 0.00 0.00 0.00 23.12 22.66 1ipw s ALA 107 CO -0.07 0.35 -0.17 0.14 0.00 0.00 0.00 175.76 176.01 1ipw s VAL 108 N -0.93 2.79 0.26 0.00 -7.23 -0.91 -3.76 120.40 110.61 1ipw s VAL 108 Ca 0.06 -1.79 -0.29 0.00 -1.81 0.00 0.00 61.98 58.15 1ipw s VAL 108 Cb -0.09 -2.35 -0.15 0.00 0.56 0.00 0.00 36.38 34.35 1ipw s VAL 108 CO 0.02 -0.08 0.94 -2.65 -0.31 0.00 0.00 175.10 173.03 1ipw n PRO 109 N 0.25 1.09 -1.97 4.82 -0.02 -1.26 -1.67 135.00 136.24 1ipw n PRO 109 Ca -0.12 0.38 -0.37 0.00 -2.02 0.00 0.00 63.50 61.37 1ipw n PRO 109 Cb 0.55 -1.71 0.03 0.00 -0.02 0.00 0.00 33.50 32.35 1ipw n PRO 109 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1ipw s HIS 110 N -0.94 2.47 0.56 6.00 2.46 0.14 -4.68 115.29 121.30 1ipw s HIS 110 Ca 0.61 1.46 0.28 0.00 0.47 0.00 0.00 55.06 57.88 1ipw s HIS 110 Cb -0.76 -3.60 1.48 0.00 -0.13 0.00 0.00 32.58 29.57 1ipw s HIS 110 CO 0.58 -2.34 1.95 0.77 -2.47 0.00 0.00 174.74 173.23 1ipw h SER 111 N 1.45 0.00 0.87 9.88 0.02 -1.89 0.21 113.55 124.09 1ipw h SER 111 Ca -0.50 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.36 1ipw h SER 111 Cb 1.29 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.81 1ipw h SER 111 CO 0.57 0.00 -0.39 0.50 -1.14 0.00 0.00 176.83 176.37 1ipw h LYS 112 N 0.00 0.00 0.00 3.45 3.64 -1.95 -3.16 116.57 118.55 1ipw h LYS 112 Ca 0.24 0.00 -0.26 0.00 -1.27 0.00 0.00 60.65 59.36 1ipw h LYS 112 Cb 1.14 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.92 1ipw h LYS 112 CO -0.00 0.39 -1.47 -0.07 -2.27 0.00 0.00 179.45 176.03 1ipw h LEU 113 N 0.00 0.00 -7.00 5.20 3.38 -0.93 -3.48 115.31 112.48 1ipw h LEU 113 Ca -0.00 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 1ipw h LEU 113 Cb 0.93 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 41.46 1ipw h LEU 113 CO 0.05 0.98 0.39 -0.55 0.09 0.00 0.00 178.44 179.41 1ipw s SER 114 N -6.28 -0.50 0.00 -0.43 0.15 -1.04 -5.03 113.70 100.57 1ipw s SER 114 Ca -0.03 0.59 0.22 0.00 0.70 0.00 0.00 55.95 57.44 1ipw s SER 114 Cb 0.09 0.48 -0.09 0.00 -1.71 0.00 0.00 66.02 64.78 1ipw s SER 114 CO 0.82 -0.43 1.02 0.29 1.20 0.00 0.00 173.24 176.14 1ipw n LYS 115 N 0.97 0.66 0.00 5.44 4.76 -1.26 -3.85 118.16 124.88 1ipw n LYS 115 Ca -0.14 -0.55 0.00 0.00 -2.87 0.00 0.00 58.31 54.76 1ipw n LYS 115 Cb 0.57 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 32.27 1ipw n LYS 115 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1ipw n GLU 116 N -0.69 0.00 0.00 1.97 1.02 -1.26 -2.03 120.64 119.65 1ipw n GLU 116 Ca 0.07 0.37 0.00 0.00 -0.02 0.00 0.00 57.16 57.58 1ipw n GLU 116 Cb 0.41 -1.51 0.00 0.00 -0.02 0.00 0.00 31.44 30.32 1ipw n GLU 116 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1ipw n TYR 117 N -1.37 0.00 -0.34 -0.32 4.02 -1.26 -4.76 117.16 113.13 1ipw n TYR 117 Ca 0.00 -0.03 0.20 0.00 -0.01 0.00 0.00 57.90 58.06 1ipw n TYR 117 Cb 0.01 -0.00 0.42 0.00 -0.02 0.00 0.00 39.34 39.74 1ipw n TYR 117 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 176.86 175.41 1ipw h ASP 118 N 0.00 0.54 0.37 7.72 5.19 -1.69 0.17 116.42 128.73 1ipw h ASP 118 Ca 0.00 0.17 0.00 0.00 -0.62 0.00 0.00 57.03 56.58 1ipw h ASP 118 Cb 0.13 0.10 0.00 0.00 0.18 0.00 0.00 39.33 39.74 1ipw h ASP 118 CO 0.00 -0.03 0.00 0.00 -3.12 0.00 0.00 179.24 176.09 1ipw n HIS 119 N -4.99 0.00 -3.26 4.55 1.44 -1.26 -4.40 115.22 107.30 1ipw n HIS 119 Ca 0.29 0.00 -0.46 0.00 -2.01 0.00 0.00 57.72 55.54 1ipw n HIS 119 Cb 0.85 -0.40 -0.04 0.00 0.12 0.00 0.00 29.99 30.53 1ipw n HIS 119 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1ipw s ILE 120 N -2.80 5.25 -0.15 0.61 1.01 0.60 -4.81 121.20 120.91 1ipw s ILE 120 Ca 0.10 -1.76 0.18 0.00 0.00 0.00 0.00 60.65 59.17 1ipw s ILE 120 Cb 0.09 -4.44 -0.25 0.00 0.01 0.00 0.00 42.46 37.86 1ipw s ILE 120 CO 0.23 -1.02 0.24 0.29 0.00 0.00 0.00 174.94 174.69 1ipw n LYS 121 N 5.08 0.68 -4.17 2.79 4.76 -1.26 -4.99 118.16 121.04 1ipw n LYS 121 Ca -0.01 0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 55.32 1ipw n LYS 121 Cb 0.43 -1.56 -0.10 0.00 -1.84 0.00 0.00 35.03 31.96 1ipw n LYS 121 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1ipw s ASP 122 N -5.40 0.20 0.47 4.39 -1.08 -1.26 -4.74 116.67 109.26 1ipw s ASP 122 Ca -0.09 -1.30 0.31 0.00 -0.52 0.00 0.00 52.55 50.95 1ipw s ASP 122 Cb 0.08 0.35 1.40 0.00 -1.46 0.00 0.00 42.92 43.29 1ipw s ASP 122 CO 0.84 -0.81 1.74 1.62 0.52 0.00 0.00 175.17 179.08 1ipw h VAL 123 N 2.70 0.35 0.00 1.11 3.04 -0.67 0.39 116.25 123.17 1ipw h VAL 123 Ca -0.35 -0.05 0.00 0.00 -1.01 0.00 0.00 66.70 65.29 1ipw h VAL 123 Cb 1.23 0.19 0.00 0.00 -2.01 0.00 0.00 31.29 30.70 1ipw h VAL 123 CO 0.55 0.03 0.00 0.78 -1.01 0.00 0.00 177.57 177.91 1ipw h ASN 124 N 0.15 0.00 1.07 3.17 2.35 -1.94 -2.93 115.58 117.44 1ipw h ASN 124 Ca 0.66 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.41 1ipw h ASN 124 Cb 2.22 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.59 1ipw h ASN 124 CO -0.19 0.00 -0.27 0.47 -1.65 0.00 0.00 177.43 175.80 1ipw n ASP 125 N -2.91 0.59 -4.75 5.81 8.00 0.14 -4.88 116.55 118.55 1ipw n ASP 125 Ca 0.02 0.31 -0.41 0.00 0.71 0.00 0.00 54.79 55.42 1ipw n ASP 125 Cb 0.36 -0.30 -0.03 0.00 -0.02 0.00 0.00 41.12 41.12 1ipw n ASP 125 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1ipw s LEU 126 N -3.96 4.48 0.09 0.64 1.43 -1.11 -4.85 118.68 115.39 1ipw s LEU 126 Ca 0.10 2.37 -0.35 0.00 -1.03 0.00 0.00 54.13 55.21 1ipw s LEU 126 Cb 0.15 -3.62 -0.15 0.00 0.03 0.00 0.00 46.19 42.60 1ipw s LEU 126 CO 0.64 -0.34 1.56 -2.65 0.23 0.00 0.00 176.35 175.78 1ipw n PRO 127 N 1.70 1.81 -0.19 1.29 -0.02 -1.26 -4.84 135.00 133.49 1ipw n PRO 127 Ca 0.02 0.66 0.14 0.00 -2.02 0.00 0.00 63.50 62.29 1ipw n PRO 127 Cb 0.44 -2.39 0.46 0.00 -0.02 0.00 0.00 33.50 31.99 1ipw n PRO 127 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1ipw h GLU 128 N 5.99 0.49 0.26 -0.52 4.22 -1.93 -1.69 114.58 121.40 1ipw h GLU 128 Ca -0.46 -0.03 -0.01 0.00 0.08 0.00 0.00 59.36 58.94 1ipw h GLU 128 Cb 1.28 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1ipw h GLU 128 CO 0.87 0.33 -0.12 1.25 -2.18 0.00 0.00 179.01 179.15 1ipw h LEU 129 N 0.51 -0.29 -0.74 1.64 5.85 -1.99 -0.91 115.31 119.39 1ipw h LEU 129 Ca 0.39 -0.12 0.13 0.00 0.84 0.00 0.00 57.88 59.11 1ipw h LEU 129 Cb 0.77 0.08 -0.09 0.00 0.37 0.00 0.00 40.66 41.79 1ipw h LEU 129 CO -0.14 -0.04 0.31 0.25 -0.34 0.00 0.00 178.44 178.47 1ipw h LEU 130 N -0.54 0.31 -0.59 2.25 5.85 -1.70 0.33 115.31 121.22 1ipw h LEU 130 Ca -0.04 0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 1ipw h LEU 130 Cb 0.40 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.46 1ipw h LEU 130 CO 0.06 0.14 0.25 0.11 -0.34 0.00 0.00 178.44 178.66 1ipw h LYS 131 N 0.47 0.87 -0.72 1.25 1.57 -1.25 -0.54 116.57 118.22 1ipw h LYS 131 Ca 0.39 -0.15 -0.02 0.00 -1.87 0.00 0.00 60.65 59.00 1ipw h LYS 131 Cb 0.56 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.69 1ipw h LYS 131 CO -0.37 0.73 0.36 0.00 -0.57 0.00 0.00 179.45 179.60 1ipw h ALA 132 N 1.10 1.27 -0.11 3.86 0.00 0.92 -1.50 119.26 124.80 1ipw h ALA 132 Ca 0.20 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1ipw h ALA 132 Cb 0.17 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1ipw h ALA 132 CO -0.02 0.57 -0.08 1.96 0.00 0.00 0.00 179.25 181.68 1ipw h GLN 133 N 1.02 0.25 -0.11 0.00 4.20 -0.32 -1.47 115.11 118.68 1ipw h GLN 133 Ca 0.25 -0.12 0.04 0.00 0.06 0.00 0.00 58.65 58.88 1ipw h GLN 133 Cb 0.08 -0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.82 1ipw h GLN 133 CO -0.03 0.63 -0.14 0.82 -0.67 0.00 0.00 178.83 179.43 1ipw h ILE 134 N -0.13 0.62 0.17 2.54 2.04 -0.85 0.04 117.51 121.96 1ipw h ILE 134 Ca 0.02 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.90 1ipw h ILE 134 Cb 0.56 0.62 -0.04 0.00 -0.74 0.00 0.00 36.82 37.23 1ipw h ILE 134 CO 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 178.15 177.79 1ipw h ALA 135 N 0.86 -0.69 -0.99 1.87 0.00 -1.29 -0.11 119.26 118.91 1ipw h ALA 135 Ca 0.08 -0.08 0.10 0.00 0.00 0.00 0.00 54.91 55.02 1ipw h ALA 135 Cb 0.30 0.61 -0.08 0.00 0.00 0.00 0.00 17.79 18.63 1ipw h ALA 135 CO -0.21 -0.95 0.63 1.25 0.00 0.00 0.00 179.25 179.97 1ipw h HIS 136 N -0.64 1.14 0.14 0.00 -0.00 -1.13 0.35 115.15 114.99 1ipw h HIS 136 Ca 0.01 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.41 1ipw h HIS 136 Cb 0.65 -0.36 0.00 0.00 -0.00 0.00 0.00 27.41 27.70 1ipw h HIS 136 CO -0.31 0.50 -0.07 0.35 -0.00 0.00 0.00 177.93 178.40 1ipw h PHE 137 N 1.03 -0.17 0.00 5.26 3.57 -0.43 -0.84 116.94 125.35 1ipw h PHE 137 Ca 0.47 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.93 1ipw h PHE 137 Cb 0.40 0.06 -0.00 0.00 2.79 0.00 0.00 35.95 39.19 1ipw h PHE 137 CO -0.00 0.11 -0.17 0.74 -2.23 0.00 0.00 178.31 176.76 1ipw h PHE 138 N -0.45 0.00 0.00 0.41 0.04 -0.48 0.22 116.94 116.68 1ipw h PHE 138 Ca -0.02 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.67 1ipw h PHE 138 Cb 0.36 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.49 1ipw h PHE 138 CO 0.01 0.17 -0.36 1.49 -0.60 0.00 0.00 178.31 179.01 1ipw h GLU 139 N 0.00 0.00 0.00 1.51 4.81 -0.05 -3.39 114.58 117.46 1ipw h GLU 139 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1ipw h GLU 139 Cb 0.34 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.72 1ipw h GLU 139 CO 0.02 0.36 -0.27 0.72 -0.73 0.00 0.00 179.01 179.12 1ipw n HIS 140 N -3.27 0.00 0.06 0.92 8.25 -0.35 -4.69 115.22 116.15 1ipw n HIS 140 Ca 0.02 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.60 1ipw n HIS 140 Cb 0.62 0.00 0.60 0.00 1.12 0.00 0.00 29.99 32.33 1ipw n HIS 140 CO 0.00 0.00 0.00 0.10 0.64 0.00 0.00 176.34 177.08 1ipw h TYR 141 N 0.00 0.16 -0.49 4.41 -0.00 -0.80 -2.10 116.97 118.14 1ipw h TYR 141 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 1ipw h TYR 141 Cb 0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 36.73 36.68 1ipw h TYR 141 CO 0.00 0.08 0.00 1.63 -0.00 0.00 0.00 178.16 179.87 1ipw n LYS 142 N -4.46 3.01 -0.21 0.10 5.02 -1.26 -4.35 118.16 116.00 1ipw n LYS 142 Ca 0.05 -2.14 0.12 0.00 -2.02 0.00 0.00 58.31 54.32 1ipw n LYS 142 Cb 0.34 -1.72 0.41 0.00 -0.02 0.00 0.00 35.03 34.04 1ipw n LYS 142 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 1ipw h ASP 143 N 3.10 0.57 -0.56 4.39 3.32 -1.66 -1.97 116.42 123.61 1ipw h ASP 143 Ca 0.00 0.02 -0.26 0.00 0.02 0.00 0.00 57.03 56.81 1ipw h ASP 143 Cb 1.13 -0.09 -0.16 0.00 0.22 0.00 0.00 39.33 40.43 1ipw h ASP 143 CO 0.17 0.32 0.34 0.18 -1.72 0.00 0.00 179.24 178.52 1ipw n LEU 144 N -4.51 5.03 0.00 1.55 4.77 -1.26 -5.13 117.00 117.45 1ipw n LEU 144 Ca 0.15 -2.64 0.00 0.00 -0.03 0.00 0.00 56.01 53.48 1ipw n LEU 144 Cb 0.42 -0.69 0.00 0.00 -2.33 0.00 0.00 43.42 40.82 1ipw n LEU 144 CO 0.32 0.78 0.00 -0.62 -1.33 0.00 0.00 177.39 176.53 1ipw n GLU 145 N -0.36 0.00 -1.61 3.23 1.02 -0.74 -4.93 120.64 117.25 1ipw n GLU 145 Ca 0.33 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.47 1ipw n GLU 145 Cb 1.15 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.57 1ipw n GLU 145 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1ipw n LYS 148 N 0.00 -3.60 -3.93 3.49 4.76 -1.26 -5.06 118.16 112.56 1ipw n LYS 148 Ca 0.00 2.74 -0.09 0.00 -2.87 0.00 0.00 58.31 58.08 1ipw n LYS 148 Cb 0.00 -2.90 -0.07 0.00 -1.84 0.00 0.00 35.03 30.22 1ipw n LYS 148 CO 0.00 0.00 0.00 1.67 -1.37 0.00 0.00 177.40 177.70 1ipw s TRP 149 N -0.35 0.32 0.06 2.13 1.48 -1.26 -4.72 118.94 116.60 1ipw s TRP 149 Ca 0.00 -0.71 0.00 0.00 -1.06 0.00 0.00 56.10 54.34 1ipw s TRP 149 Cb 0.00 -0.07 -0.04 0.00 -1.16 0.00 0.00 33.47 32.21 1ipw s TRP 149 CO 0.00 -0.66 -0.05 0.08 -4.06 0.00 0.00 176.95 172.27 1ipw s VAL 150 N -3.93 0.40 -0.27 -0.66 1.01 -1.26 -4.30 120.40 111.38 1ipw s VAL 150 Ca 0.13 -1.64 -0.03 0.00 0.00 0.00 0.00 61.98 60.44 1ipw s VAL 150 Cb 0.04 -1.29 0.11 0.00 0.00 0.00 0.00 36.38 35.24 1ipw s VAL 150 CO -0.04 -0.82 0.20 -0.75 0.00 0.00 0.00 175.10 173.69 1ipw s LYS 151 N -3.28 0.23 0.04 2.72 2.47 0.19 -4.88 119.74 117.23 1ipw s LYS 151 Ca 0.03 -0.28 -0.30 0.00 -1.56 0.00 0.00 55.97 53.86 1ipw s LYS 151 Cb 0.03 -1.03 -0.08 0.00 -1.46 0.00 0.00 37.83 35.29 1ipw s LYS 151 CO -0.06 -0.96 1.69 0.08 0.16 0.00 0.00 175.35 176.26 1ipw s VAL 152 N 2.22 3.14 -0.23 4.02 1.01 -1.26 -0.95 120.40 128.36 1ipw s VAL 152 Ca 0.08 0.48 -0.00 0.00 0.00 0.00 0.00 61.98 62.54 1ipw s VAL 152 Cb -0.15 -3.31 -0.19 0.00 0.00 0.00 0.00 36.38 32.73 1ipw s VAL 152 CO -0.31 -0.01 -0.08 -0.62 0.00 0.00 0.00 175.10 174.07 1ipw n GLU 153 N 6.11 0.68 0.00 2.72 1.02 0.53 -4.94 120.64 126.75 1ipw n GLU 153 Ca 0.17 0.18 0.00 0.00 -0.02 0.00 0.00 57.16 57.48 1ipw n GLU 153 Cb 0.41 -1.57 0.00 0.00 -0.02 0.00 0.00 31.44 30.26 1ipw n GLU 153 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ipw n GLY 154 N 2.19 1.93 3.92 0.62 0.00 -0.73 -4.98 105.19 108.14 1ipw n GLY 154 Ca -0.43 -1.08 -0.27 0.00 0.00 0.00 0.00 46.02 44.25 1ipw n GLY 154 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1ipw s TRP 155 N -2.00 3.49 0.07 1.61 0.52 -1.26 0.15 118.94 121.52 1ipw s TRP 155 Ca 0.00 0.50 0.00 0.00 0.02 0.00 0.00 56.10 56.63 1ipw s TRP 155 Cb 0.00 -2.01 -0.04 0.00 -1.15 0.00 0.00 33.47 30.27 1ipw s TRP 155 CO 0.00 0.15 -0.05 -1.21 0.02 0.00 0.00 176.95 175.87 1ipw s GLU 156 N -3.87 0.71 1.00 4.98 2.02 0.79 -4.91 118.70 119.42 1ipw s GLU 156 Ca 0.42 -1.26 -0.16 0.00 0.02 0.00 0.00 54.97 53.99 1ipw s GLU 156 Cb -0.10 0.01 0.20 0.00 0.10 0.00 0.00 34.13 34.34 1ipw s GLU 156 CO 0.33 -0.06 1.23 0.54 0.02 0.00 0.00 175.26 177.32 1ipw s ASN 157 N -2.93 2.71 0.27 -0.19 2.20 -1.26 -1.45 114.94 114.29 1ipw s ASN 157 Ca 0.09 0.50 -0.00 0.00 -0.94 0.00 0.00 52.86 52.50 1ipw s ASN 157 Cb 0.06 -0.70 0.54 0.00 -2.00 0.00 0.00 41.25 39.15 1ipw s ASN 157 CO -0.07 -3.00 1.79 0.00 -2.94 0.00 0.00 177.10 172.88 1ipw h ALA 158 N -1.82 1.38 -0.18 3.54 0.00 -1.86 -0.37 119.26 119.95 1ipw h ALA 158 Ca -0.45 0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.52 1ipw h ALA 158 Cb 1.27 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1ipw h ALA 158 CO 0.43 0.04 0.10 0.93 0.00 0.00 0.00 179.25 180.75 1ipw h GLU 159 N 0.78 0.21 -0.24 0.00 4.39 -1.93 0.74 114.58 118.54 1ipw h GLU 159 Ca 0.48 -0.01 -0.08 0.00 0.34 0.00 0.00 59.36 60.08 1ipw h GLU 159 Cb 0.58 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.17 1ipw h GLU 159 CO -0.31 0.14 -0.22 0.00 -1.16 0.00 0.00 179.01 177.46 1ipw h ALA 160 N 1.08 1.19 -0.38 3.43 0.00 -1.66 0.14 119.26 123.06 1ipw h ALA 160 Ca 0.07 -0.31 -0.11 0.00 0.00 0.00 0.00 54.91 54.55 1ipw h ALA 160 Cb -0.01 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1ipw h ALA 160 CO -0.03 0.52 -0.20 0.00 0.00 0.00 0.00 179.25 179.54 1ipw h ALA 161 N 1.38 0.54 -0.43 0.00 0.00 -0.29 -2.12 119.26 118.35 1ipw h ALA 161 Ca 0.06 -0.37 -0.10 0.00 0.00 0.00 0.00 54.91 54.51 1ipw h ALA 161 Cb 0.60 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1ipw h ALA 161 CO 0.04 0.49 -0.13 0.87 0.00 0.00 0.00 179.25 180.52 1ipw h LYS 162 N 0.61 0.79 -0.85 0.00 1.57 0.84 -2.61 116.57 116.91 1ipw h LYS 162 Ca 0.08 -0.27 -0.03 0.00 -1.87 0.00 0.00 60.65 58.56 1ipw h LYS 162 Cb 0.75 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.96 1ipw h LYS 162 CO 0.06 0.88 0.41 0.00 -0.57 0.00 0.00 179.45 180.23 1ipw h ALA 163 N 1.14 1.12 -0.69 3.86 0.00 -0.54 -1.55 119.26 122.60 1ipw h ALA 163 Ca 0.12 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1ipw h ALA 163 Cb 0.62 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1ipw h ALA 163 CO 0.04 0.67 0.24 1.49 0.00 0.00 0.00 179.25 181.69 1ipw h GLU 164 N 1.21 1.05 -0.20 0.00 4.57 -1.12 -1.07 114.58 119.04 1ipw h GLU 164 Ca 0.29 -0.20 -0.03 0.00 -1.18 0.00 0.00 59.36 58.24 1ipw h GLU 164 Cb 0.11 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.53 1ipw h GLU 164 CO -0.04 0.88 0.01 0.82 -1.18 0.00 0.00 179.01 179.51 1ipw h ILE 165 N 1.02 1.24 -0.17 2.32 2.04 -1.01 -1.76 117.51 121.19 1ipw h ILE 165 Ca 0.23 -0.83 -0.01 0.00 1.00 0.00 0.00 64.86 65.25 1ipw h ILE 165 Cb 0.25 1.40 -0.01 0.00 -0.74 0.00 0.00 36.82 37.73 1ipw h ILE 165 CO -0.01 0.25 0.07 0.58 0.00 0.00 0.00 178.15 179.04 1ipw h VAL 166 N 0.11 1.16 -0.68 1.67 2.07 -1.16 -0.27 116.25 119.15 1ipw h VAL 166 Ca 0.06 -0.47 0.04 0.00 0.82 0.00 0.00 66.70 67.15 1ipw h VAL 166 Cb 0.37 1.15 -0.05 0.00 -1.52 0.00 0.00 31.29 31.23 1ipw h VAL 166 CO 0.01 0.15 0.41 0.00 0.02 0.00 0.00 177.57 178.15 1ipw h ALA 167 N 0.91 0.90 0.00 1.67 0.00 -1.22 -0.65 119.26 120.88 1ipw h ALA 167 Ca 0.06 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 1ipw h ALA 167 Cb 0.17 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1ipw h ALA 167 CO -0.00 0.14 -0.63 0.77 0.00 0.00 0.00 179.25 179.53 1ipw h SER 168 N 0.78 0.00 0.01 0.00 0.02 -1.07 0.06 113.55 113.35 1ipw h SER 168 Ca 0.29 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.24 1ipw h SER 168 Cb 0.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.63 1ipw h SER 168 CO -0.14 0.63 -0.01 0.15 -1.14 0.00 0.00 176.83 176.32 1ipw h PHE 169 N 0.00 -0.02 -0.89 3.45 3.57 -0.80 0.25 116.94 122.51 1ipw h PHE 169 Ca -0.01 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.52 1ipw h PHE 169 Cb 1.22 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.91 1ipw h PHE 169 CO 0.00 0.70 0.58 0.93 -2.23 0.00 0.00 178.31 178.29 1ipw h GLU 170 N -0.76 1.12 0.00 1.11 4.39 -1.12 -0.25 114.58 119.07 1ipw h GLU 170 Ca -0.00 -0.07 -0.03 0.00 0.34 0.00 0.00 59.36 59.61 1ipw h GLU 170 Cb 0.72 -0.25 -0.00 0.00 -0.10 0.00 0.00 28.75 29.11 1ipw h GLU 170 CO 0.00 0.74 -0.12 -0.09 -1.16 0.00 0.00 179.01 178.38 1ipw h ARG 171 N 1.15 0.00 0.00 2.33 2.43 -1.01 -2.13 114.38 117.16 1ipw h ARG 171 Ca 0.34 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.38 1ipw h ARG 171 Cb -0.06 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.47 1ipw h ARG 171 CO -0.10 0.12 -0.62 0.00 -1.51 0.00 0.00 179.97 177.86 1ipw h ALA 172 N 1.88 0.66 0.00 2.80 0.00 -0.11 -3.45 119.26 121.04 1ipw h ALA 172 Ca -0.00 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1ipw h ALA 172 Cb 0.37 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1ipw h ALA 172 CO 0.02 0.78 0.00 1.63 0.00 0.00 0.00 179.25 181.68