#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d8g s HIS 8 N 0.00 0.77 0.31 -1.77 -3.43 -1.26 -5.13 115.29 104.78 3d8g s HIS 8 Ca 0.00 -0.24 -0.10 0.00 -0.80 0.00 0.00 55.06 53.92 3d8g s HIS 8 Cb 0.00 -0.48 -0.07 0.00 -1.43 0.00 0.00 32.58 30.60 3d8g s HIS 8 CO 0.00 -0.02 0.64 0.15 -2.00 0.00 0.00 174.74 173.51 3d8g s LYS 9 N -0.62 3.79 0.05 -0.38 1.02 -1.26 -4.39 119.74 117.94 3d8g s LYS 9 Ca 0.00 0.33 -0.02 0.00 0.02 0.00 0.00 55.97 56.29 3d8g s LYS 9 Cb -0.05 -2.54 -0.03 0.00 -0.52 0.00 0.00 37.83 34.69 3d8g s LYS 9 CO 0.00 0.17 0.01 -1.83 -0.92 0.00 0.00 175.35 172.79 3d8g s GLU 10 N -3.29 0.60 0.21 1.68 -1.05 -0.16 -4.97 118.70 111.71 3d8g s GLU 10 Ca 0.49 -1.05 -0.32 0.00 -0.15 0.00 0.00 54.97 53.94 3d8g s GLU 10 Cb -0.11 0.22 -0.14 0.00 -0.44 0.00 0.00 34.13 33.66 3d8g s GLU 10 CO 0.25 -0.13 1.40 -2.30 0.95 0.00 0.00 175.26 175.44 3d8g n PRO 11 N 0.37 1.91 -4.02 -4.83 -0.02 -1.26 -0.52 135.00 126.62 3d8g n PRO 11 Ca -0.16 0.68 -0.35 0.00 -2.02 0.00 0.00 63.50 61.65 3d8g n PRO 11 Cb 0.60 -2.34 -0.13 0.00 -0.02 0.00 0.00 33.50 31.61 3d8g n PRO 11 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3d8g s ALA 12 N 0.11 2.98 -0.41 3.55 0.00 0.01 -4.55 121.76 123.44 3d8g s ALA 12 Ca 0.71 -1.04 -0.17 0.00 0.00 0.00 0.00 51.96 51.46 3d8g s ALA 12 Cb -0.69 -1.77 0.02 0.00 0.00 0.00 0.00 23.12 20.67 3d8g s ALA 12 CO 0.48 -0.24 0.44 0.99 0.00 0.00 0.00 175.76 177.43 3d8g s THR 13 N 1.15 5.08 -0.03 0.00 2.01 -1.26 -4.65 115.64 117.95 3d8g s THR 13 Ca 0.03 -0.28 -0.30 0.00 0.31 0.00 0.00 61.69 61.45 3d8g s THR 13 Cb -0.14 -4.03 -0.03 0.00 0.01 0.00 0.00 72.50 68.31 3d8g s THR 13 CO 0.01 -0.40 0.99 -0.22 -0.69 0.00 0.00 174.62 174.31 3d8g s LEU 14 N 2.16 4.34 -0.18 4.42 2.96 -1.26 -0.41 118.68 130.70 3d8g s LEU 14 Ca 0.13 1.63 -0.16 0.00 -0.22 0.00 0.00 54.13 55.51 3d8g s LEU 14 Cb -0.17 -3.57 -0.11 0.00 0.50 0.00 0.00 46.19 42.84 3d8g s LEU 14 CO 0.14 -0.31 0.00 -0.38 -1.32 0.00 0.00 176.35 174.47 3d8g n ILE 15 N 4.08 1.48 -3.57 6.68 5.41 0.11 -4.81 119.36 128.74 3d8g n ILE 15 Ca 0.07 0.07 -0.11 0.00 1.00 0.00 0.00 62.75 63.78 3d8g n ILE 15 Cb 0.50 -2.20 -0.05 0.00 -0.71 0.00 0.00 39.64 37.18 3d8g n ILE 15 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 176.55 174.96 3d8g s LYS 16 N -2.33 0.64 0.53 0.38 -2.85 -0.96 -5.02 119.74 110.12 3d8g s LYS 16 Ca -0.23 0.14 -0.20 0.00 -1.00 0.00 0.00 55.97 54.69 3d8g s LYS 16 Cb 0.04 0.30 -0.06 0.00 -2.06 0.00 0.00 37.83 36.05 3d8g s LYS 16 CO 0.42 -0.20 1.10 0.00 0.10 0.00 0.00 175.35 176.77 3d8g s ALA 17 N -1.17 2.74 0.00 0.59 0.00 -1.26 -0.08 121.76 122.57 3d8g s ALA 17 Ca -0.02 0.75 -0.01 0.00 0.00 0.00 0.00 51.96 52.68 3d8g s ALA 17 Cb -0.00 -3.33 -0.00 0.00 0.00 0.00 0.00 23.12 19.79 3d8g s ALA 17 CO 0.02 -0.65 -0.01 -0.89 0.00 0.00 0.00 175.76 174.23 3d8g n ILE 18 N -1.23 0.17 -3.15 0.00 5.41 -1.01 -4.79 119.36 114.76 3d8g n ILE 18 Ca 0.11 0.18 0.00 0.00 1.00 0.00 0.00 62.75 64.04 3d8g n ILE 18 Cb 0.51 -1.25 0.00 0.00 -0.71 0.00 0.00 39.64 38.19 3d8g n ILE 18 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 3d8g n ASP 19 N -2.67 0.00 -0.35 4.38 5.75 -0.97 -5.00 116.55 117.69 3d8g n ASP 19 Ca -0.01 -0.56 0.24 0.00 -0.01 0.00 0.00 54.79 54.46 3d8g n ASP 19 Cb 0.02 0.00 0.49 0.00 -1.03 0.00 0.00 41.12 40.60 3d8g n ASP 19 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 3d8g h GLY 20 N 0.00 1.62 -0.33 6.12 0.00 -1.81 -3.02 103.07 105.65 3d8g h GLY 20 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.10 3d8g h GLY 20 CO 0.00 -0.30 -0.16 2.09 0.00 0.00 0.00 176.54 178.17 3d8g n ASP 21 N -4.81 1.12 -4.07 0.19 5.68 -1.26 -4.73 116.55 108.67 3d8g n ASP 21 Ca 0.29 -2.19 -0.16 0.00 -0.50 0.00 0.00 54.79 52.23 3d8g n ASP 21 Cb 0.96 -0.21 -0.13 0.00 -1.14 0.00 0.00 41.12 40.61 3d8g n ASP 21 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 3d8g s THR 22 N -1.12 0.72 -0.00 2.12 -4.23 -1.14 -0.88 115.64 111.11 3d8g s THR 22 Ca 0.11 -0.84 -0.05 0.00 -1.18 0.00 0.00 61.69 59.73 3d8g s THR 22 Cb 0.09 -0.70 -0.00 0.00 1.34 0.00 0.00 72.50 73.24 3d8g s THR 22 CO 0.01 -0.11 0.09 0.54 -0.54 0.00 0.00 174.62 174.61 3d8g s VAL 23 N -0.86 0.07 -0.28 2.29 0.11 -0.66 -2.28 120.40 118.78 3d8g s VAL 23 Ca -0.03 -0.57 -0.16 0.00 -2.93 0.00 0.00 61.98 58.30 3d8g s VAL 23 Cb -0.07 -0.33 -0.03 0.00 -1.53 0.00 0.00 36.38 34.42 3d8g s VAL 23 CO 0.01 -0.31 0.40 -0.75 -3.33 0.00 0.00 175.10 171.11 3d8g s LYS 24 N -1.04 3.95 0.22 1.54 2.47 0.88 -0.28 119.74 127.48 3d8g s LYS 24 Ca -0.11 0.02 0.10 0.00 -1.56 0.00 0.00 55.97 54.41 3d8g s LYS 24 Cb -0.06 -3.68 -0.04 0.00 -1.46 0.00 0.00 37.83 32.58 3d8g s LYS 24 CO 0.01 -0.34 -0.12 -0.51 0.16 0.00 0.00 175.35 174.55 3d8g s LEU 25 N 2.12 2.86 -0.49 5.43 1.43 -0.19 0.06 118.68 129.91 3d8g s LEU 25 Ca 0.16 -0.71 -0.17 0.00 -1.03 0.00 0.00 54.13 52.37 3d8g s LEU 25 Cb -0.16 -1.50 0.07 0.00 0.03 0.00 0.00 46.19 44.63 3d8g s LEU 25 CO 0.10 0.08 0.52 -0.32 0.23 0.00 0.00 176.35 176.96 3d8g s MET 26 N -3.08 3.05 -0.20 1.70 -2.45 0.45 -0.47 119.30 118.31 3d8g s MET 26 Ca 0.26 -1.12 -0.05 0.00 -1.25 0.00 0.00 55.69 53.54 3d8g s MET 26 Cb -0.08 -4.12 -0.02 0.00 1.25 0.00 0.00 34.83 31.86 3d8g s MET 26 CO 0.15 -1.14 -0.01 -0.47 1.05 0.00 0.00 175.02 174.61 3d8g s TYR 27 N 2.16 3.03 -1.69 4.11 5.04 -0.24 -4.37 117.35 125.39 3d8g s TYR 27 Ca 0.10 -0.51 -0.13 0.00 -2.44 0.00 0.00 57.07 54.09 3d8g s TYR 27 Cb -0.22 -2.08 0.12 0.00 0.35 0.00 0.00 41.96 40.13 3d8g s TYR 27 CO 0.09 -0.27 0.45 1.63 -1.34 0.00 0.00 175.55 176.11 3d8g n LYS 28 N 4.29 -1.67 -1.12 4.97 5.02 -1.26 -0.80 118.16 127.59 3d8g n LYS 28 Ca -0.17 0.21 -0.04 0.00 -2.02 0.00 0.00 58.31 56.29 3d8g n LYS 28 Cb 0.52 -4.46 -0.02 0.00 -0.02 0.00 0.00 35.03 31.04 3d8g n LYS 28 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3d8g n GLY 29 N -1.68 0.68 3.26 0.72 0.00 -1.26 -5.01 105.19 101.90 3d8g n GLY 29 Ca -0.07 -0.39 -0.33 0.00 0.00 0.00 0.00 46.02 45.22 3d8g n GLY 29 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3d8g s GLN 30 N -1.79 3.22 0.14 1.61 -1.52 0.01 -5.09 119.66 116.24 3d8g s GLN 30 Ca 0.00 -0.74 -0.31 0.00 -1.95 0.00 0.00 55.36 52.36 3d8g s GLN 30 Cb 0.00 -2.67 -0.10 0.00 -0.22 0.00 0.00 33.01 30.02 3d8g s GLN 30 CO 0.00 -0.02 1.68 -1.25 -0.25 0.00 0.00 175.29 175.45 3d8g s PRO 31 N 0.92 4.17 -0.12 2.91 0.04 -1.26 -1.08 135.00 140.59 3d8g s PRO 31 Ca -0.03 2.46 -0.06 0.00 0.04 0.00 0.00 61.00 63.41 3d8g s PRO 31 Cb -0.15 -3.34 0.05 0.00 0.04 0.00 0.00 34.50 31.10 3d8g s PRO 31 CO -0.02 -0.72 0.27 1.41 0.04 0.00 0.00 177.00 177.99 3d8g s MET 32 N 1.86 0.22 0.06 4.56 1.75 0.38 -4.94 119.30 123.19 3d8g s MET 32 Ca 0.74 0.61 -0.31 0.00 -1.25 0.00 0.00 55.69 55.49 3d8g s MET 32 Cb -0.45 -0.09 -0.06 0.00 2.84 0.00 0.00 34.83 37.08 3d8g s MET 32 CO 0.33 -0.18 1.24 0.99 -0.65 0.00 0.00 175.02 176.74 3d8g s THR 33 N 1.48 3.92 -0.15 10.11 2.01 -1.26 -1.02 115.64 130.74 3d8g s THR 33 Ca -0.08 1.37 -0.03 0.00 0.31 0.00 0.00 61.69 63.26 3d8g s THR 33 Cb -0.10 -3.88 -0.03 0.00 0.01 0.00 0.00 72.50 68.50 3d8g s THR 33 CO -0.09 0.09 -0.05 -0.36 -0.69 0.00 0.00 174.62 173.52 3d8g s PHE 34 N 1.23 2.99 -0.21 4.92 0.08 0.61 -0.48 117.98 127.13 3d8g s PHE 34 Ca 0.60 -0.33 -0.10 0.00 0.12 0.00 0.00 56.93 57.22 3d8g s PHE 34 Cb -0.30 -1.93 -0.05 0.00 -0.57 0.00 0.00 43.02 40.17 3d8g s PHE 34 CO 0.29 -0.04 0.12 0.50 -0.10 0.00 0.00 175.22 175.99 3d8g s ARG 35 N 0.30 4.12 0.11 0.44 6.06 0.17 -1.65 118.95 128.50 3d8g s ARG 35 Ca -0.04 -0.25 -0.31 0.00 -2.50 0.00 0.00 55.73 52.62 3d8g s ARG 35 Cb -0.14 -3.41 -0.09 0.00 0.06 0.00 0.00 34.95 31.37 3d8g s ARG 35 CO 0.03 0.24 1.60 -0.51 -2.50 0.00 0.00 175.30 174.16 3d8g s LEU 36 N 0.52 4.37 0.47 -0.88 1.02 -0.06 -2.96 118.68 121.16 3d8g s LEU 36 Ca 0.07 2.52 -0.23 0.00 0.02 0.00 0.00 54.13 56.52 3d8g s LEU 36 Cb -0.12 -3.58 -0.07 0.00 0.02 0.00 0.00 46.19 42.45 3d8g s LEU 36 CO -0.00 -0.85 1.19 -0.76 0.02 0.00 0.00 176.35 175.95 3d8g s LEU 37 N 1.95 3.99 0.00 1.79 1.43 -0.62 -4.02 118.68 123.20 3d8g s LEU 37 Ca 0.72 2.36 0.00 0.00 -1.03 0.00 0.00 54.13 56.18 3d8g s LEU 37 Cb -0.41 -4.25 0.00 0.00 0.03 0.00 0.00 46.19 41.56 3d8g s LEU 37 CO 0.32 -1.00 0.00 0.18 0.23 0.00 0.00 176.35 176.07 3d8g n LEU 38 N -0.56 0.61 -4.29 1.79 4.77 -1.26 -4.94 117.00 113.12 3d8g n LEU 38 Ca 0.08 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.90 3d8g n LEU 38 Cb 0.48 -1.70 -0.10 0.00 -2.33 0.00 0.00 43.42 39.77 3d8g n LEU 38 CO 0.48 -0.60 -0.35 0.68 -1.33 0.00 0.00 177.39 176.28 3d8g s VAL 39 N -1.41 0.98 -0.17 4.08 -7.23 -1.21 -1.31 120.40 114.12 3d8g s VAL 39 Ca 0.00 -2.03 -0.04 0.00 -1.81 0.00 0.00 61.98 58.10 3d8g s VAL 39 Cb 0.00 -2.18 0.07 0.00 0.56 0.00 0.00 36.38 34.83 3d8g s VAL 39 CO 0.00 -0.45 0.17 -0.62 -0.31 0.00 0.00 175.10 173.89 3d8g s ASP 40 N -3.24 1.56 0.35 4.85 2.15 0.53 -4.58 116.67 118.29 3d8g s ASP 40 Ca 0.25 -0.24 -0.10 0.00 0.43 0.00 0.00 52.55 52.89 3d8g s ASP 40 Cb 0.05 0.17 -0.07 0.00 -0.30 0.00 0.00 42.92 42.77 3d8g s ASP 40 CO 0.06 -0.32 0.69 0.42 -0.17 0.00 0.00 175.17 175.85 3d8g s THR 41 N 2.26 4.83 0.62 1.71 -4.23 -1.26 -1.74 115.64 117.83 3d8g s THR 41 Ca 0.05 0.56 -0.19 0.00 -1.18 0.00 0.00 61.69 60.93 3d8g s THR 41 Cb -0.15 -3.69 -0.03 0.00 1.34 0.00 0.00 72.50 69.97 3d8g s THR 41 CO -0.10 -0.36 1.23 -2.65 -0.54 0.00 0.00 174.62 172.20 3d8g n PRO 42 N -0.90 1.16 -1.68 3.99 -0.02 -1.26 -4.91 135.00 131.38 3d8g n PRO 42 Ca 0.02 0.45 -0.37 0.00 -2.02 0.00 0.00 63.50 61.57 3d8g n PRO 42 Cb 0.54 -2.46 0.06 0.00 -0.02 0.00 0.00 33.50 31.62 3d8g n PRO 42 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3d8g n GLU 43 N -1.55 1.01 -0.27 -0.52 -0.58 -1.26 -4.63 120.64 112.84 3d8g n GLU 43 Ca 0.15 0.40 0.23 0.00 -0.42 0.00 0.00 57.16 57.51 3d8g n GLU 43 Cb 0.47 -2.37 0.56 0.00 -0.57 0.00 0.00 31.44 29.54 3d8g n GLU 43 CO 0.00 0.00 0.00 0.35 -0.48 0.00 0.00 177.13 177.00 3d8g h PHE 50 N 0.50 0.46 -0.01 -0.32 3.57 -1.94 1.00 116.94 120.21 3d8g h PHE 50 Ca -0.50 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.02 3d8g h PHE 50 Cb 1.35 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.95 3d8g h PHE 50 CO 0.39 0.08 -0.08 0.09 -2.23 0.00 0.00 178.31 176.57 3d8g n ASN 51 N -4.49 0.71 -4.98 0.41 5.03 -1.26 -3.20 115.26 107.48 3d8g n ASN 51 Ca 0.22 -0.92 -0.20 0.00 0.87 0.00 0.00 54.58 54.54 3d8g n ASN 51 Cb 0.84 -0.02 -0.01 0.00 -1.02 0.00 0.00 39.78 39.57 3d8g n ASN 51 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 3d8g s GLU 52 N -2.27 3.25 0.25 3.52 2.02 0.35 -4.99 118.70 120.83 3d8g s GLU 52 Ca 0.34 -0.84 -0.31 0.00 0.02 0.00 0.00 54.97 54.18 3d8g s GLU 52 Cb 0.21 -2.82 -0.12 0.00 0.10 0.00 0.00 34.13 31.49 3d8g s GLU 52 CO 0.42 0.18 1.60 1.17 0.02 0.00 0.00 175.26 178.65 3d8g n LYS 53 N -1.59 2.55 -1.06 1.61 4.81 -1.26 -0.88 118.16 122.34 3d8g n LYS 53 Ca -0.04 0.91 -0.02 0.00 -0.87 0.00 0.00 58.31 58.30 3d8g n LYS 53 Cb 0.58 -2.69 -0.01 0.00 0.02 0.00 0.00 35.03 32.93 3d8g n LYS 53 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3d8g n TYR 54 N 2.69 0.00 -0.06 5.64 4.01 -1.26 -4.78 117.16 123.39 3d8g n TYR 54 Ca 0.12 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.78 3d8g n TYR 54 Cb 0.35 -0.99 -0.07 0.00 -0.31 0.00 0.00 39.34 38.32 3d8g n TYR 54 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 3d8g h GLY 55 N 0.00 0.00 1.50 2.72 0.00 -1.18 0.86 103.07 106.97 3d8g h GLY 55 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.29 3d8g h GLY 55 CO 0.07 0.00 0.33 -2.55 0.00 0.00 0.00 176.54 174.38 3d8g h PRO 56 N -1.00 0.66 -0.15 4.80 0.11 -1.73 -0.71 132.00 133.98 3d8g h PRO 56 Ca -0.02 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.01 3d8g h PRO 56 Cb 0.57 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 31.53 3d8g h PRO 56 CO -0.01 0.45 -0.06 0.93 -0.21 0.00 0.00 178.00 179.09 3d8g h GLU 57 N 0.68 0.31 -0.56 1.05 3.07 -1.91 -1.17 114.58 116.05 3d8g h GLU 57 Ca 0.18 -0.13 0.03 0.00 -0.50 0.00 0.00 59.36 58.95 3d8g h GLU 57 Cb -0.07 -0.01 -0.04 0.00 -0.84 0.00 0.00 28.75 27.79 3d8g h GLU 57 CO -0.04 0.62 0.33 0.00 -1.40 0.00 0.00 179.01 178.52 3d8g h ALA 58 N 0.68 0.73 -0.30 3.43 0.00 -0.58 -0.66 119.26 122.56 3d8g h ALA 58 Ca 0.04 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.96 3d8g h ALA 58 Cb 0.52 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3d8g h ALA 58 CO 0.02 0.03 0.16 0.77 0.00 0.00 0.00 179.25 180.23 3d8g h SER 59 N 0.64 0.24 -0.30 0.00 0.02 -1.10 -2.16 113.55 110.90 3d8g h SER 59 Ca 0.23 0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 61.12 3d8g h SER 59 Cb 0.06 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.55 3d8g h SER 59 CO -0.12 0.18 -0.05 0.00 -1.14 0.00 0.00 176.83 175.71 3d8g h ALA 60 N 1.15 1.17 0.35 3.77 0.00 -0.93 -1.47 119.26 123.30 3d8g h ALA 60 Ca 0.12 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 3d8g h ALA 60 Cb 0.03 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3d8g h ALA 60 CO -0.08 0.54 -0.17 0.35 0.00 0.00 0.00 179.25 179.89 3d8g h PHE 61 N 0.63 -0.43 -0.92 0.00 3.57 -0.88 -1.67 116.94 117.24 3d8g h PHE 61 Ca 0.12 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.63 3d8g h PHE 61 Cb 0.46 0.14 -0.05 0.00 2.79 0.00 0.00 35.95 39.29 3d8g h PHE 61 CO 0.02 -0.12 0.61 1.15 -2.23 0.00 0.00 178.31 177.74 3d8g h THR 62 N -0.75 1.22 0.32 4.41 2.02 -1.37 -0.77 112.91 118.00 3d8g h THR 62 Ca -0.05 -0.42 -0.02 0.00 0.77 0.00 0.00 66.41 66.69 3d8g h THR 62 Cb 0.51 -0.12 0.00 0.00 -1.74 0.00 0.00 68.15 66.80 3d8g h THR 62 CO 0.08 0.23 -0.15 0.50 0.37 0.00 0.00 175.52 176.54 3d8g h LYS 63 N 1.23 -0.42 -0.28 6.66 3.64 -1.23 -1.80 116.57 124.38 3d8g h LYS 63 Ca 0.34 0.03 -0.14 0.00 -1.27 0.00 0.00 60.65 59.61 3d8g h LYS 63 Cb -0.12 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 3d8g h LYS 63 CO -0.08 -0.23 -0.40 0.87 -2.27 0.00 0.00 179.45 177.34 3d8g h LYS 64 N -0.50 0.67 -0.11 1.90 1.57 -1.17 -0.34 116.57 118.58 3d8g h LYS 64 Ca -0.04 -0.34 0.00 0.00 -1.87 0.00 0.00 60.65 58.39 3d8g h LYS 64 Cb 0.37 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 3d8g h LYS 64 CO 0.07 0.95 0.07 1.98 -0.57 0.00 0.00 179.45 181.95 3d8g h MET 65 N 0.55 0.15 -0.20 3.15 4.05 -1.08 -0.20 114.93 121.36 3d8g h MET 65 Ca 0.05 -0.01 -0.11 0.00 -0.28 0.00 0.00 59.70 59.35 3d8g h MET 65 Cb 0.92 -0.03 -0.00 0.00 -0.80 0.00 0.00 31.60 31.69 3d8g h MET 65 CO 0.08 0.13 -0.30 0.28 0.23 0.00 0.00 176.91 177.34 3d8g h VAL 66 N 0.13 1.33 -0.29 -5.77 2.07 -1.26 -3.15 116.25 109.32 3d8g h VAL 66 Ca 0.04 -1.51 -0.01 0.00 0.82 0.00 0.00 66.70 66.04 3d8g h VAL 66 Cb 0.01 1.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 3d8g h VAL 66 CO -0.01 0.46 0.13 -0.33 0.02 0.00 0.00 177.57 177.85 3d8g h GLU 67 N 0.21 0.43 0.00 1.57 5.08 -1.00 -3.06 114.58 117.81 3d8g h GLU 67 Ca 0.02 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3d8g h GLU 67 Cb 0.88 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.05 3d8g h GLU 67 CO 0.07 0.42 0.00 0.09 -1.00 0.00 0.00 179.01 178.59 3d8g n ASN 68 N -4.77 0.00 -4.75 1.42 5.03 -0.09 -4.81 115.26 107.28 3d8g n ASN 68 Ca -0.02 -0.06 -0.41 0.00 0.87 0.00 0.00 54.58 54.96 3d8g n ASN 68 Cb 0.11 -0.30 -0.04 0.00 -1.02 0.00 0.00 39.78 38.54 3d8g n ASN 68 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3d8g s ALA 69 N -2.59 3.42 0.09 5.41 0.00 -1.16 -4.94 121.76 121.99 3d8g s ALA 69 Ca 0.24 0.94 -0.04 0.00 0.00 0.00 0.00 51.96 53.11 3d8g s ALA 69 Cb 0.18 -3.37 -0.22 0.00 0.00 0.00 0.00 23.12 19.72 3d8g s ALA 69 CO 0.41 -0.27 1.20 -0.22 0.00 0.00 0.00 175.76 176.88 3d8g h LYS 70 N 4.24 0.31 -4.79 0.00 3.64 -1.89 -3.44 116.57 114.64 3d8g h LYS 70 Ca -0.46 -0.45 -0.66 0.00 -1.27 0.00 0.00 60.65 57.81 3d8g h LYS 70 Cb 1.21 0.16 -0.37 0.00 -0.41 0.00 0.00 32.23 32.82 3d8g h LYS 70 CO 0.69 1.18 -0.81 0.21 -2.27 0.00 0.00 179.45 178.45 3d8g s LYS 71 N -2.86 2.22 -0.17 1.90 2.20 -1.26 -5.01 119.74 116.77 3d8g s LYS 71 Ca -0.04 -1.19 -0.05 0.00 -0.36 0.00 0.00 55.97 54.32 3d8g s LYS 71 Cb 0.08 -2.77 -0.03 0.00 -1.51 0.00 0.00 37.83 33.60 3d8g s LYS 71 CO 0.88 -0.52 -0.01 1.03 -0.36 0.00 0.00 175.35 176.37 3d8g s ARG 72 N 1.19 3.71 0.05 4.03 0.52 -1.26 -0.31 118.95 126.87 3d8g s ARG 72 Ca -0.06 -0.49 0.03 0.00 -0.52 0.00 0.00 55.73 54.69 3d8g s ARG 72 Cb -0.19 -3.01 -0.02 0.00 0.52 0.00 0.00 34.95 32.25 3d8g s ARG 72 CO -0.06 0.18 -0.09 -1.21 0.02 0.00 0.00 175.30 174.13 3d8g s GLU 73 N 0.55 0.61 -0.00 3.54 2.02 -0.55 -0.81 118.70 124.05 3d8g s GLU 73 Ca -0.01 -0.77 0.07 0.00 0.02 0.00 0.00 54.97 54.28 3d8g s GLU 73 Cb -0.14 -0.46 -0.03 0.00 0.10 0.00 0.00 34.13 33.61 3d8g s GLU 73 CO 0.02 0.09 -0.22 0.08 0.02 0.00 0.00 175.26 175.26 3d8g s VAL 74 N -1.25 2.45 -0.20 2.63 1.01 0.32 -0.84 120.40 124.51 3d8g s VAL 74 Ca -0.07 -1.08 -0.03 0.00 0.00 0.00 0.00 61.98 60.80 3d8g s VAL 74 Cb -0.09 -1.93 0.06 0.00 0.00 0.00 0.00 36.38 34.42 3d8g s VAL 74 CO 0.01 0.50 0.05 -0.70 0.00 0.00 0.00 175.10 174.96 3d8g s GLU 75 N -0.91 0.53 0.57 2.72 2.12 0.15 -0.99 118.70 122.89 3d8g s GLU 75 Ca 0.12 -0.42 -0.17 0.00 0.36 0.00 0.00 54.97 54.86 3d8g s GLU 75 Cb -0.10 -2.01 -0.05 0.00 0.26 0.00 0.00 34.13 32.23 3d8g s GLU 75 CO 0.01 -0.69 1.07 -0.06 -0.54 0.00 0.00 175.26 175.05 3d8g s PHE 76 N 1.90 2.91 0.00 5.30 0.08 -1.26 -0.48 117.98 126.43 3d8g s PHE 76 Ca 0.01 1.53 0.00 0.00 0.12 0.00 0.00 56.93 58.59 3d8g s PHE 76 Cb -0.17 -3.07 0.00 0.00 -0.57 0.00 0.00 43.02 39.21 3d8g s PHE 76 CO -0.11 -1.17 0.00 -3.47 -0.10 0.00 0.00 175.22 170.38 3d8g n ASP 77 N -1.73 0.00 0.14 1.36 -0.08 -1.26 -4.69 116.55 110.29 3d8g n ASP 77 Ca 0.09 -0.57 0.12 0.00 -1.51 0.00 0.00 54.79 52.92 3d8g n ASP 77 Cb 0.52 0.00 0.12 0.00 2.34 0.00 0.00 41.12 44.11 3d8g n ASP 77 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 3d8g h LYS 78 N 0.00 0.00 0.00 -0.67 1.57 -1.95 -3.47 116.57 112.05 3d8g h LYS 78 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3d8g h LYS 78 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3d8g h LYS 78 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.29 3d8g n GLY 79 N 1.19 1.67 3.62 3.86 0.00 -1.10 -5.02 105.19 109.40 3d8g n GLY 79 Ca 0.02 -1.29 -0.50 0.00 0.00 0.00 0.00 46.02 44.26 3d8g n GLY 79 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3d8g n GLN 80 N 0.00 1.52 0.00 1.61 7.27 -1.26 -4.91 117.38 121.61 3d8g n GLN 80 Ca 0.00 0.55 0.10 0.00 0.07 0.00 0.00 57.00 57.72 3d8g n GLN 80 Cb 0.00 -2.23 -0.06 0.00 2.41 0.00 0.00 30.24 30.36 3d8g n GLN 80 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 3d8g n ARG 81 N 2.81 0.00 -3.97 3.69 1.74 -1.26 -4.77 116.66 114.90 3d8g n ARG 81 Ca 0.18 -0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 57.16 3d8g n ARG 81 Cb 0.23 -1.50 -0.12 0.00 -1.02 0.00 0.00 32.46 30.05 3d8g n ARG 81 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3d8g s THR 82 N -3.00 0.13 0.73 0.55 -4.23 -1.26 -0.93 115.64 107.63 3d8g s THR 82 Ca 0.08 -0.75 -0.01 0.00 -1.18 0.00 0.00 61.69 59.83 3d8g s THR 82 Cb 0.16 -0.25 0.13 0.00 1.34 0.00 0.00 72.50 73.89 3d8g s THR 82 CO 0.84 -0.39 1.01 1.51 -0.54 0.00 0.00 174.62 177.05 3d8g s ASP 83 N -1.19 4.28 0.12 3.99 1.47 -0.25 -4.90 116.67 120.20 3d8g s ASP 83 Ca -0.12 -0.37 0.08 0.00 1.18 0.00 0.00 52.55 53.31 3d8g s ASP 83 Cb -0.08 0.02 0.43 0.00 -0.34 0.00 0.00 42.92 42.96 3d8g s ASP 83 CO -0.01 -1.91 1.24 2.29 0.68 0.00 0.00 175.17 177.46 3d8g n LYS 84 N -2.87 0.05 -0.33 2.11 2.85 -1.26 -1.09 118.16 117.62 3d8g n LYS 84 Ca 0.15 0.54 0.12 0.00 -1.05 0.00 0.00 58.31 58.08 3d8g n LYS 84 Cb 0.61 -1.68 0.30 0.00 -0.65 0.00 0.00 35.03 33.61 3d8g n LYS 84 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3d8g n TYR 85 N -1.77 0.87 -0.88 5.58 4.01 -1.26 -4.94 117.16 118.77 3d8g n TYR 85 Ca -0.01 -0.44 0.00 0.00 -0.16 0.00 0.00 57.90 57.30 3d8g n TYR 85 Cb 0.02 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.05 3d8g n TYR 85 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3d8g n GLY 86 N 1.64 1.19 3.74 2.72 0.00 -0.25 -5.02 105.19 109.22 3d8g n GLY 86 Ca 0.24 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.85 3d8g n GLY 86 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3d8g s ARG 87 N -0.02 4.54 0.51 1.61 0.52 -1.26 -4.78 118.95 120.07 3d8g s ARG 87 Ca 0.00 1.84 -0.23 0.00 -0.52 0.00 0.00 55.73 56.82 3d8g s ARG 87 Cb 0.00 -3.23 -0.06 0.00 0.52 0.00 0.00 34.95 32.18 3d8g s ARG 87 CO 0.00 0.01 1.39 0.20 0.02 0.00 0.00 175.30 176.93 3d8g s GLY 88 N -0.20 2.90 -0.22 -3.53 0.00 0.37 -1.09 107.32 105.55 3d8g s GLY 88 Ca 0.50 1.40 0.02 0.00 0.00 0.00 0.00 44.72 46.64 3d8g s GLY 88 CO 0.38 1.97 -0.15 1.08 0.00 0.00 0.00 173.10 176.38 3d8g s LEU 89 N -3.19 2.85 0.21 0.66 1.43 -0.11 0.41 118.68 120.93 3d8g s LEU 89 Ca 0.67 -1.06 -0.16 0.00 -1.03 0.00 0.00 54.13 52.55 3d8g s LEU 89 Cb -0.42 -1.52 0.02 0.00 0.03 0.00 0.00 46.19 44.30 3d8g s LEU 89 CO 0.52 -0.11 0.51 0.00 0.23 0.00 0.00 176.35 177.50 3d8g s ALA 90 N 1.19 -0.77 -0.00 4.21 0.00 -1.15 -4.44 121.76 120.79 3d8g s ALA 90 Ca -0.03 -0.38 -0.15 0.00 0.00 0.00 0.00 51.96 51.40 3d8g s ALA 90 Cb -0.17 0.88 -0.06 0.00 0.00 0.00 0.00 23.12 23.78 3d8g s ALA 90 CO -0.09 -0.82 0.41 0.71 0.00 0.00 0.00 175.76 175.98 3d8g s TYR 91 N -3.91 3.72 -0.10 0.00 2.02 0.37 -1.59 117.35 117.85 3d8g s TYR 91 Ca 0.12 0.99 0.02 0.00 -0.37 0.00 0.00 57.07 57.83 3d8g s TYR 91 Cb -0.01 -2.30 -0.02 0.00 -0.40 0.00 0.00 41.96 39.23 3d8g s TYR 91 CO -0.00 0.62 -0.15 0.42 -1.57 0.00 0.00 175.55 174.87 3d8g s ILE 92 N -1.00 2.93 0.02 2.71 -1.09 -1.26 -0.67 121.20 122.83 3d8g s ILE 92 Ca 0.24 -0.73 0.07 0.00 -2.23 0.00 0.00 60.65 58.00 3d8g s ILE 92 Cb -0.17 -2.19 -0.03 0.00 -1.58 0.00 0.00 42.46 38.49 3d8g s ILE 92 CO 0.13 0.55 -0.19 -0.31 -1.23 0.00 0.00 174.94 173.89 3d8g s TYR 93 N 0.03 2.54 -0.22 3.97 2.02 -0.02 -0.01 117.35 125.66 3d8g s TYR 93 Ca -0.05 -0.27 0.00 0.00 -0.37 0.00 0.00 57.07 56.38 3d8g s TYR 93 Cb -0.15 -1.49 0.06 0.00 -0.40 0.00 0.00 41.96 39.98 3d8g s TYR 93 CO 0.04 0.20 -0.04 0.00 -1.57 0.00 0.00 175.55 174.18 3d8g s ALA 94 N -0.85 1.76 -1.51 3.71 0.00 0.40 -1.49 121.76 123.79 3d8g s ALA 94 Ca 0.13 -1.18 -0.06 0.00 0.00 0.00 0.00 51.96 50.85 3d8g s ALA 94 Cb -0.10 -1.34 0.05 0.00 0.00 0.00 0.00 23.12 21.72 3d8g s ALA 94 CO 0.03 -1.11 0.51 -0.25 0.00 0.00 0.00 175.76 174.95 3d8g n ASP 95 N 4.75 -1.22 0.00 0.00 8.00 0.58 -1.37 116.55 127.29 3d8g n ASP 95 Ca -0.12 -1.02 0.00 0.00 0.71 0.00 0.00 54.79 54.36 3d8g n ASP 95 Cb 0.45 -2.88 0.00 0.00 -0.02 0.00 0.00 41.12 38.68 3d8g n ASP 95 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3d8g n GLY 96 N -1.85 1.87 3.71 0.44 0.00 -1.26 -5.01 105.19 103.09 3d8g n GLY 96 Ca -0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.48 3d8g n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d8g s LYS 97 N -0.09 4.16 -0.13 1.61 1.02 -0.47 -5.05 119.74 120.79 3d8g s LYS 97 Ca 0.00 -0.23 -0.29 0.00 0.02 0.00 0.00 55.97 55.47 3d8g s LYS 97 Cb 0.00 -3.46 -0.02 0.00 -0.52 0.00 0.00 37.83 33.84 3d8g s LYS 97 CO 0.00 0.23 1.16 1.41 -0.92 0.00 0.00 175.35 177.23 3d8g s MET 98 N 0.57 4.31 0.16 1.68 -2.45 -1.26 -0.45 119.30 121.85 3d8g s MET 98 Ca 0.08 1.57 -0.15 0.00 -1.25 0.00 0.00 55.69 55.94 3d8g s MET 98 Cb -0.12 -3.64 0.04 0.00 1.25 0.00 0.00 34.83 32.36 3d8g s MET 98 CO 0.00 -0.55 1.80 0.28 1.05 0.00 0.00 175.02 177.60 3d8g h VAL 99 N 5.26 1.14 -0.44 10.11 2.07 -0.79 -1.40 116.25 132.20 3d8g h VAL 99 Ca -0.28 -0.31 0.08 0.00 0.82 0.00 0.00 66.70 67.00 3d8g h VAL 99 Cb 1.12 0.50 -0.07 0.00 -1.52 0.00 0.00 31.29 31.33 3d8g h VAL 99 CO 0.92 0.14 0.03 0.78 0.02 0.00 0.00 177.57 179.46 3d8g h ASN 100 N 0.63 -0.12 -0.51 0.57 4.21 -1.92 -0.98 115.58 117.45 3d8g h ASN 100 Ca 0.17 0.09 -0.05 0.00 1.21 0.00 0.00 56.30 57.72 3d8g h ASN 100 Cb -0.02 0.16 -0.02 0.00 -1.12 0.00 0.00 38.32 37.32 3d8g h ASN 100 CO -0.03 -0.03 0.12 -0.08 -1.29 0.00 0.00 177.43 176.12 3d8g h GLU 101 N 0.14 0.82 -0.44 0.81 4.81 -1.87 -2.84 114.58 116.01 3d8g h GLU 101 Ca 0.22 -0.20 -0.09 0.00 -0.13 0.00 0.00 59.36 59.16 3d8g h GLU 101 Cb 0.31 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 3d8g h GLU 101 CO -0.34 0.79 -0.09 0.00 -0.73 0.00 0.00 179.01 178.64 3d8g h ALA 102 N 1.00 1.01 -0.39 2.92 0.00 -0.63 -0.67 119.26 122.50 3d8g h ALA 102 Ca 0.16 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3d8g h ALA 102 Cb 0.34 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3d8g h ALA 102 CO 0.00 0.60 0.20 -0.07 0.00 0.00 0.00 179.25 179.98 3d8g h LEU 103 N 0.71 0.49 -0.41 0.00 3.38 -1.17 -2.01 115.31 116.31 3d8g h LEU 103 Ca 0.12 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 3d8g h LEU 103 Cb 0.57 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 3d8g h LEU 103 CO 0.04 0.46 0.07 0.58 0.09 0.00 0.00 178.44 179.68 3d8g h VAL 104 N 0.49 1.24 -0.27 1.22 2.07 -1.25 0.24 116.25 119.98 3d8g h VAL 104 Ca 0.13 -0.85 -0.03 0.00 0.82 0.00 0.00 66.70 66.77 3d8g h VAL 104 Cb 0.08 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 3d8g h VAL 104 CO -0.02 0.29 0.02 -0.09 0.02 0.00 0.00 177.57 177.80 3d8g h ARG 105 N 0.52 0.40 -0.08 1.57 9.65 -1.03 -2.19 114.38 123.22 3d8g h ARG 105 Ca 0.12 -0.07 0.00 0.00 -1.10 0.00 0.00 59.98 58.94 3d8g h ARG 105 Cb 0.36 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 28.87 3d8g h ARG 105 CO 0.01 0.41 0.00 1.04 2.80 0.00 0.00 179.97 184.23 3d8g n GLN 106 N -4.34 1.61 -1.19 0.20 1.13 -0.77 -4.18 117.38 109.84 3d8g n GLN 106 Ca 0.01 -0.90 -0.05 0.00 -1.94 0.00 0.00 57.00 54.12 3d8g n GLN 106 Cb 0.20 -1.43 -0.02 0.00 0.11 0.00 0.00 30.24 29.10 3d8g n GLN 106 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3d8g n GLY 107 N 1.12 0.72 0.43 1.08 0.00 -0.82 -4.54 105.19 103.17 3d8g n GLY 107 Ca 0.18 -0.84 0.11 0.00 0.00 0.00 0.00 46.02 45.47 3d8g n GLY 107 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3d8g n LEU 108 N -0.56 1.88 -3.81 0.99 4.77 0.05 -1.66 117.00 118.65 3d8g n LEU 108 Ca -0.05 -0.73 -0.12 0.00 -0.03 0.00 0.00 56.01 55.08 3d8g n LEU 108 Cb 0.18 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.17 3d8g n LEU 108 CO 0.07 0.36 -0.08 0.00 -1.33 0.00 0.00 177.39 176.41 3d8g s ALA 109 N -2.50 -0.55 0.15 -1.18 0.00 -1.09 -4.30 121.76 112.30 3d8g s ALA 109 Ca 0.17 0.20 -0.09 0.00 0.00 0.00 0.00 51.96 52.24 3d8g s ALA 109 Cb 0.17 -0.00 -0.06 0.00 0.00 0.00 0.00 23.12 23.23 3d8g s ALA 109 CO 0.60 -0.21 0.46 0.15 0.00 0.00 0.00 175.76 176.76 3d8g s LYS 110 N -1.07 3.77 0.21 0.00 1.02 -0.71 -4.26 119.74 118.70 3d8g s LYS 110 Ca -0.11 0.18 -0.31 0.00 0.02 0.00 0.00 55.97 55.74 3d8g s LYS 110 Cb -0.06 -2.83 -0.11 0.00 -0.52 0.00 0.00 37.83 34.31 3d8g s LYS 110 CO 0.02 0.44 1.65 0.08 -0.92 0.00 0.00 175.35 176.62 3d8g s VAL 111 N -1.61 2.23 0.24 3.17 1.01 -1.26 -0.34 120.40 123.84 3d8g s VAL 111 Ca 0.40 0.17 -0.22 0.00 0.00 0.00 0.00 61.98 62.34 3d8g s VAL 111 Cb -0.13 -3.11 0.04 0.00 0.00 0.00 0.00 36.38 33.18 3d8g s VAL 111 CO 0.21 0.02 0.68 0.00 0.00 0.00 0.00 175.10 176.01 3d8g s ALA 112 N 0.93 -1.34 -1.43 5.51 0.00 -0.43 -4.80 121.76 120.20 3d8g s ALA 112 Ca 0.71 -0.06 -0.07 0.00 0.00 0.00 0.00 51.96 52.54 3d8g s ALA 112 Cb -0.47 0.86 0.04 0.00 0.00 0.00 0.00 23.12 23.55 3d8g s ALA 112 CO 0.35 -0.96 0.79 0.66 0.00 0.00 0.00 175.76 176.60 3d8g n TYR 113 N -0.44 -2.04 -2.70 0.00 4.02 -1.26 -3.35 117.16 111.40 3d8g n TYR 113 Ca -0.08 0.86 -0.42 0.00 -0.01 0.00 0.00 57.90 58.24 3d8g n TYR 113 Cb 0.61 -4.08 -0.03 0.00 -0.02 0.00 0.00 39.34 35.81 3d8g n TYR 113 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 3d8g s VAL 114 N -3.53 4.07 -0.15 -0.72 1.01 -1.26 -4.44 120.40 115.38 3d8g s VAL 114 Ca 0.31 0.27 -0.06 0.00 0.00 0.00 0.00 61.98 62.50 3d8g s VAL 114 Cb -0.16 -4.74 -0.04 0.00 0.00 0.00 0.00 36.38 31.44 3d8g s VAL 114 CO 0.83 -1.51 0.04 -0.31 0.00 0.00 0.00 175.10 174.16 3d8g s TYR 115 N 4.78 3.23 0.62 5.22 2.02 -1.26 -5.01 117.35 126.95 3d8g s TYR 115 Ca 0.32 0.09 0.34 0.00 -0.37 0.00 0.00 57.07 57.45 3d8g s TYR 115 Cb -0.11 -1.98 1.95 0.00 -0.40 0.00 0.00 41.96 41.42 3d8g s TYR 115 CO 0.16 0.25 2.21 0.87 -1.57 0.00 0.00 175.55 177.48 3d8g h LYS 116 N 6.18 0.00 -0.24 -0.62 1.57 -1.99 -0.78 116.57 120.69 3d8g h LYS 116 Ca -0.41 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.27 3d8g h LYS 116 Cb 1.18 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.48 3d8g h LYS 116 CO 0.65 0.00 -0.30 0.78 -0.57 0.00 0.00 179.45 180.01 3d8g h GLY 117 N 0.00 0.53 -5.62 3.86 0.00 -2.01 -3.38 103.07 96.46 3d8g h GLY 117 Ca 0.02 -0.46 -0.56 0.00 0.00 0.00 0.00 47.33 46.33 3d8g h GLY 117 CO -0.00 0.42 -0.81 0.70 0.00 0.00 0.00 176.54 176.85 3d8g n ASN 118 N -4.09 3.20 -0.53 0.19 3.02 -0.30 -2.73 115.26 114.02 3d8g n ASN 118 Ca -0.01 -3.42 0.06 0.00 -0.03 0.00 0.00 54.58 51.18 3d8g n ASN 118 Cb 0.44 -0.59 0.11 0.00 -0.61 0.00 0.00 39.78 39.12 3d8g n ASN 118 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 3d8g n ASN 119 N 0.11 1.47 -0.24 6.41 6.94 -1.21 -4.61 115.26 124.13 3d8g n ASN 119 Ca 0.29 -2.91 0.03 0.00 -0.02 0.00 0.00 54.58 51.97 3d8g n ASN 119 Cb 0.47 -0.39 0.16 0.00 -2.36 0.00 0.00 39.78 37.66 3d8g n ASN 119 CO 0.00 0.00 0.00 0.74 -1.03 0.00 0.00 177.26 176.97 3d8g h THR 120 N 2.84 0.68 -0.55 5.53 2.02 -1.92 -2.03 112.91 119.48 3d8g h THR 120 Ca -0.04 -0.14 -0.05 0.00 0.77 0.00 0.00 66.41 66.96 3d8g h THR 120 Cb 1.23 0.24 -0.03 0.00 -1.74 0.00 0.00 68.15 67.84 3d8g h THR 120 CO 0.02 0.07 0.06 1.41 0.37 0.00 0.00 175.52 177.45 3d8g n HIS 121 N -5.02 1.94 0.11 3.16 8.25 -1.26 -4.60 115.22 117.80 3d8g n HIS 121 Ca 0.12 -0.75 -0.12 0.00 -0.26 0.00 0.00 57.72 56.70 3d8g n HIS 121 Cb 0.37 -0.51 -0.06 0.00 1.12 0.00 0.00 29.99 30.91 3d8g n HIS 121 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 3d8g h GLU 122 N 3.26 -0.34 -0.71 -0.41 4.81 -1.74 -1.98 114.58 117.47 3d8g h GLU 122 Ca 0.06 0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.35 3d8g h GLU 122 Cb 1.91 0.08 -0.05 0.00 0.63 0.00 0.00 28.75 31.32 3d8g h GLU 122 CO 0.50 -0.23 0.43 1.96 -0.73 0.00 0.00 179.01 180.94 3d8g h GLN 123 N -0.35 0.80 -0.38 1.92 4.20 -1.83 0.33 115.11 119.80 3d8g h GLN 123 Ca 0.02 -0.05 0.06 0.00 0.06 0.00 0.00 58.65 58.74 3d8g h GLN 123 Cb 0.36 -0.18 -0.05 0.00 0.30 0.00 0.00 27.48 27.91 3d8g h GLN 123 CO -0.08 0.53 0.06 1.25 -0.67 0.00 0.00 178.83 179.92 3d8g h LEU 124 N 0.82 -0.02 -0.46 1.46 5.85 -1.85 0.03 115.31 121.15 3d8g h LEU 124 Ca 0.29 0.07 -0.17 0.00 0.84 0.00 0.00 57.88 58.91 3d8g h LEU 124 Cb 0.07 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 3d8g h LEU 124 CO -0.13 0.03 -0.65 -0.07 -0.34 0.00 0.00 178.44 177.27 3d8g h LEU 125 N 0.18 0.53 -1.01 2.25 3.38 -0.88 -2.13 115.31 117.64 3d8g h LEU 125 Ca 0.18 -0.32 -0.07 0.00 0.09 0.00 0.00 57.88 57.76 3d8g h LEU 125 Cb 0.22 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 3d8g h LEU 125 CO -0.25 1.04 -0.04 0.03 0.09 0.00 0.00 178.44 179.31 3d8g h ARG 126 N 0.33 0.67 -0.06 1.13 3.08 -0.73 0.13 114.38 118.93 3d8g h ARG 126 Ca -0.02 -0.18 0.01 0.00 0.07 0.00 0.00 59.98 59.86 3d8g h ARG 126 Cb 1.21 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 31.17 3d8g h ARG 126 CO 0.12 0.72 0.01 -0.22 -1.07 0.00 0.00 179.97 179.52 3d8g h LYS 127 N 0.63 0.04 -1.00 0.04 3.64 -0.79 -1.79 116.57 117.34 3d8g h LYS 127 Ca 0.12 -0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.52 3d8g h LYS 127 Cb 0.45 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.21 3d8g h LYS 127 CO 0.02 0.03 0.66 0.00 -2.27 0.00 0.00 179.45 177.89 3d8g h ALA 128 N 1.05 1.28 -0.51 5.00 0.00 -0.94 -2.76 119.26 122.38 3d8g h ALA 128 Ca 0.03 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 3d8g h ALA 128 Cb 0.02 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.40 3d8g h ALA 128 CO -0.04 0.63 -0.08 1.49 0.00 0.00 0.00 179.25 181.25 3d8g h GLU 129 N 1.33 0.92 -0.24 0.00 4.81 -0.60 -1.77 114.58 119.03 3d8g h GLU 129 Ca 0.37 -0.31 -0.05 0.00 -0.13 0.00 0.00 59.36 59.24 3d8g h GLU 129 Cb -0.12 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.18 3d8g h GLU 129 CO -0.09 0.96 -0.08 0.00 -0.73 0.00 0.00 179.01 179.07 3d8g h ALA 130 N 1.07 1.41 -0.12 2.92 0.00 -1.12 -0.22 119.26 123.20 3d8g h ALA 130 Ca 0.14 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 3d8g h ALA 130 Cb 0.61 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3d8g h ALA 130 CO 0.04 0.41 -0.41 0.37 0.00 0.00 0.00 179.25 179.66 3d8g h GLN 131 N 0.37 0.49 -0.86 0.00 5.75 -1.21 -1.55 115.11 118.10 3d8g h GLN 131 Ca 0.08 -0.36 0.06 0.00 -0.15 0.00 0.00 58.65 58.27 3d8g h GLN 131 Cb 0.38 0.07 -0.06 0.00 1.07 0.00 0.00 27.48 28.93 3d8g h GLN 131 CO 0.02 0.99 0.54 0.00 -2.65 0.00 0.00 178.83 177.72 3d8g h ALA 132 N 0.50 1.18 -0.13 3.38 0.00 -1.08 -1.33 119.26 121.78 3d8g h ALA 132 Ca -0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3d8g h ALA 132 Cb 1.04 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 3d8g h ALA 132 CO 0.09 0.29 0.04 0.87 0.00 0.00 0.00 179.25 180.54 3d8g h LYS 133 N 0.98 0.20 -0.57 0.00 1.57 -1.02 -0.55 116.57 117.18 3d8g h LYS 133 Ca 0.37 -0.04 0.09 0.00 -1.87 0.00 0.00 60.65 59.20 3d8g h LYS 133 Cb 0.16 -0.03 -0.07 0.00 0.08 0.00 0.00 32.23 32.37 3d8g h LYS 133 CO -0.17 0.32 0.19 -0.22 -0.57 0.00 0.00 179.45 179.00 3d8g h LYS 134 N 0.04 0.35 -0.00 3.15 3.64 -1.07 -1.53 116.57 121.14 3d8g h LYS 134 Ca 0.04 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3d8g h LYS 134 Cb 0.20 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 3d8g h LYS 134 CO -0.00 0.23 -0.01 0.39 -2.27 0.00 0.00 179.45 177.79 3d8g n GLU 135 N -5.03 0.64 -3.77 1.90 1.02 -0.52 -4.92 120.64 109.97 3d8g n GLU 135 Ca 0.07 -0.02 -0.27 0.00 -0.02 0.00 0.00 57.16 56.93 3d8g n GLU 135 Cb 0.26 -1.50 0.05 0.00 -0.02 0.00 0.00 31.44 30.22 3d8g n GLU 135 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3d8g n LYS 136 N -1.16 -6.24 -2.79 3.49 4.76 -0.32 -4.94 118.16 110.95 3d8g n LYS 136 Ca 0.18 0.68 -0.41 0.00 -2.87 0.00 0.00 58.31 55.89 3d8g n LYS 136 Cb 0.20 -5.59 -0.04 0.00 -1.84 0.00 0.00 35.03 27.76 3d8g n LYS 136 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3d8g s LEU 137 N -7.17 4.41 0.00 -0.35 1.43 -0.55 -3.14 118.68 113.31 3d8g s LEU 137 Ca 0.52 1.61 0.00 0.00 -1.03 0.00 0.00 54.13 55.23 3d8g s LEU 137 Cb -0.25 -3.47 0.00 0.00 0.03 0.00 0.00 46.19 42.50 3d8g s LEU 137 CO 0.79 -0.16 0.00 0.59 0.23 0.00 0.00 176.35 177.81 3d8g n ASN 138 N 3.45 0.00 -0.15 2.29 3.02 -1.26 -0.72 115.26 121.89 3d8g n ASN 138 Ca 0.03 0.00 0.24 0.00 -0.03 0.00 0.00 54.58 54.82 3d8g n ASN 138 Cb 0.50 0.00 0.65 0.00 -0.61 0.00 0.00 39.78 40.33 3d8g n ASN 138 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 3d8g h ILE 139 N 0.00 0.64 -0.60 2.41 2.04 -1.65 0.01 117.51 120.36 3d8g h ILE 139 Ca 0.00 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.82 3d8g h ILE 139 Cb 0.00 0.51 0.00 0.00 -0.74 0.00 0.00 36.82 36.59 3d8g h ILE 139 CO 0.00 0.02 0.00 0.79 0.00 0.00 0.00 178.15 178.96 3d8g n TRP 140 N -4.36 0.88 0.21 1.37 7.02 0.10 -4.21 117.44 118.44 3d8g n TRP 140 Ca 0.16 -0.42 0.11 0.00 -1.02 0.00 0.00 57.50 56.34 3d8g n TRP 140 Cb 0.79 -0.03 0.17 0.00 -2.42 0.00 0.00 31.31 29.81 3d8g n TRP 140 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 3d8g h SER 141 N 3.53 0.00 -0.01 -0.99 4.64 -0.93 -3.40 113.55 116.39 3d8g h SER 141 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3d8g h SER 141 Cb 0.88 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 3d8g h SER 141 CO 0.03 0.04 0.00 -0.62 -0.87 0.00 0.00 176.83 175.41