#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bdm s ASP 1 N 0.00 4.77 -0.35 6.12 1.01 -1.26 -4.94 116.67 122.02 3bdm s ASP 1 Ca 0.00 -0.00 -0.13 0.00 0.71 0.00 0.00 52.55 53.13 3bdm s ASP 1 Cb 0.00 -0.63 -0.01 0.00 1.01 0.00 0.00 42.92 43.29 3bdm s ASP 1 CO 0.00 -1.55 0.24 -0.63 0.21 0.00 0.00 175.17 173.43 3bdm s ILE 2 N -3.05 5.13 -0.29 0.77 -1.09 -1.26 -4.72 121.20 116.69 3bdm s ILE 2 Ca 0.62 -0.37 0.00 0.00 -2.23 0.00 0.00 60.65 58.66 3bdm s ILE 2 Cb -0.09 -3.69 0.09 0.00 -1.58 0.00 0.00 42.46 37.19 3bdm s ILE 2 CO 0.42 -0.07 0.06 -0.63 -1.23 0.00 0.00 174.94 173.49 3bdm s ILE 3 N 1.69 1.19 0.15 2.92 -1.09 -1.26 -1.01 121.20 123.79 3bdm s ILE 3 Ca 0.05 -1.46 0.10 0.00 -2.23 0.00 0.00 60.65 57.12 3bdm s ILE 3 Cb -0.18 -1.81 -0.04 0.00 -1.58 0.00 0.00 42.46 38.85 3bdm s ILE 3 CO 0.10 -0.53 -0.21 -0.76 -1.23 0.00 0.00 174.94 172.31 3bdm s LEU 4 N 1.48 2.56 -0.14 2.97 1.43 -0.16 -1.97 118.68 124.85 3bdm s LEU 4 Ca 0.07 -0.70 -0.08 0.00 -1.03 0.00 0.00 54.13 52.39 3bdm s LEU 4 Cb -0.18 -1.37 0.05 0.00 0.03 0.00 0.00 46.19 44.73 3bdm s LEU 4 CO -0.18 0.15 0.34 -0.83 0.23 0.00 0.00 176.35 176.07 3bdm s GLY 5 N -2.35 -0.25 -0.03 -3.19 0.00 0.45 -1.66 107.32 100.28 3bdm s GLY 5 Ca 0.18 1.28 0.01 0.00 0.00 0.00 0.00 44.72 46.19 3bdm s GLY 5 CO 0.10 1.45 -0.03 -1.50 0.00 0.00 0.00 173.10 173.12 3bdm s ILE 6 N 1.25 0.36 -0.31 0.90 2.07 0.17 -0.15 121.20 125.49 3bdm s ILE 6 Ca -0.09 -0.04 -0.09 0.00 -1.41 0.00 0.00 60.65 59.02 3bdm s ILE 6 Cb -0.09 -0.40 -0.00 0.00 0.13 0.00 0.00 42.46 42.10 3bdm s ILE 6 CO -0.10 0.17 0.14 -0.60 -1.91 0.00 0.00 174.94 172.64 3bdm s ARG 7 N 0.81 3.27 0.00 3.50 3.52 0.33 0.45 118.95 130.84 3bdm s ARG 7 Ca -0.09 -0.76 0.00 0.00 -0.13 0.00 0.00 55.73 54.75 3bdm s ARG 7 Cb -0.13 -3.52 0.00 0.00 -1.56 0.00 0.00 34.95 29.74 3bdm s ARG 7 CO -0.01 -0.43 0.00 1.33 -0.81 0.00 0.00 175.30 175.39 3bdm n VAL 8 N 4.96 0.00 0.17 7.11 0.24 -0.26 -4.82 118.33 125.71 3bdm n VAL 8 Ca -0.14 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.02 3bdm n VAL 8 Cb 0.49 -0.29 -0.08 0.00 -1.47 0.00 0.00 33.84 32.49 3bdm n VAL 8 CO 0.00 0.00 0.00 -0.61 -2.14 0.00 0.00 176.83 174.08 3bdm h GLN 9 N 0.00 -0.37 -0.03 7.34 5.75 -1.14 -3.37 115.11 123.28 3bdm h GLN 9 Ca 0.00 0.03 -0.11 0.00 -0.15 0.00 0.00 58.65 58.41 3bdm h GLN 9 Cb 0.00 0.08 -0.23 0.00 1.07 0.00 0.00 27.48 28.41 3bdm h GLN 9 CO 0.00 -0.15 -0.81 -0.25 -2.65 0.00 0.00 178.83 174.97 3bdm n ASP 10 N -5.20 1.41 -3.66 -0.69 8.00 -1.26 -4.65 116.55 110.50 3bdm n ASP 10 Ca -0.10 -2.84 -0.01 0.00 0.71 0.00 0.00 54.79 52.55 3bdm n ASP 10 Cb 0.21 -0.40 -0.01 0.00 -0.02 0.00 0.00 41.12 40.90 3bdm n ASP 10 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3bdm s SER 11 N -2.61 -0.13 -0.05 -2.24 1.04 -1.26 -4.45 113.70 104.00 3bdm s SER 11 Ca 0.36 -0.22 0.05 0.00 0.48 0.00 0.00 55.95 56.62 3bdm s SER 11 Cb 0.38 0.29 -0.01 0.00 0.10 0.00 0.00 66.02 66.79 3bdm s SER 11 CO -0.12 -0.54 -0.20 -0.69 0.98 0.00 0.00 173.24 172.67 3bdm s VAL 12 N -2.78 1.70 -0.11 5.02 1.01 -0.42 -1.11 120.40 123.71 3bdm s VAL 12 Ca 0.13 -0.86 0.01 0.00 0.00 0.00 0.00 61.98 61.25 3bdm s VAL 12 Cb 0.02 -1.45 -0.02 0.00 0.00 0.00 0.00 36.38 34.93 3bdm s VAL 12 CO -0.02 0.48 -0.13 -0.63 0.00 0.00 0.00 175.10 174.80 3bdm s ILE 13 N -0.03 3.08 -0.15 2.22 1.01 0.17 -1.28 121.20 126.22 3bdm s ILE 13 Ca -0.04 -0.67 0.02 0.00 0.00 0.00 0.00 60.65 59.96 3bdm s ILE 13 Cb -0.13 -2.27 0.02 0.00 0.01 0.00 0.00 42.46 40.09 3bdm s ILE 13 CO 0.03 0.54 -0.19 -0.76 0.00 0.00 0.00 174.94 174.56 3bdm s LEU 14 N 0.09 1.97 -0.12 2.97 1.43 -0.56 -0.66 118.68 123.81 3bdm s LEU 14 Ca -0.06 -0.57 -0.02 0.00 -1.03 0.00 0.00 54.13 52.46 3bdm s LEU 14 Cb -0.15 -1.35 -0.03 0.00 0.03 0.00 0.00 46.19 44.70 3bdm s LEU 14 CO 0.04 0.02 -0.05 0.00 0.23 0.00 0.00 176.35 176.59 3bdm s ALA 15 N 1.11 2.99 -0.09 4.21 0.00 -0.67 -1.63 121.76 127.68 3bdm s ALA 15 Ca -0.01 -0.85 -0.04 0.00 0.00 0.00 0.00 51.96 51.06 3bdm s ALA 15 Cb -0.14 -1.41 0.05 0.00 0.00 0.00 0.00 23.12 21.62 3bdm s ALA 15 CO -0.07 0.38 0.19 -1.12 0.00 0.00 0.00 175.76 175.14 3bdm s SER 16 N -0.17 0.30 0.33 0.00 0.01 -0.54 -0.99 113.70 112.64 3bdm s SER 16 Ca 0.03 0.39 -0.26 0.00 1.31 0.00 0.00 55.95 57.42 3bdm s SER 16 Cb -0.13 0.34 -0.14 0.00 0.21 0.00 0.00 66.02 66.31 3bdm s SER 16 CO 0.03 -0.21 0.82 -1.54 0.41 0.00 0.00 173.24 172.75 3bdm n SER 17 N 4.86 0.35 -0.24 2.44 3.41 -0.18 -1.36 113.62 122.90 3bdm n SER 17 Ca -0.14 1.08 0.11 0.00 -0.26 0.00 0.00 58.87 59.67 3bdm n SER 17 Cb 0.51 -1.20 0.12 0.00 -0.26 0.00 0.00 64.21 63.37 3bdm n SER 17 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3bdm n LYS 18 N 0.66 0.65 -2.88 4.33 5.02 -0.30 -4.69 118.16 120.94 3bdm n LYS 18 Ca 0.11 -0.48 -0.34 0.00 -2.02 0.00 0.00 58.31 55.58 3bdm n LYS 18 Cb 0.34 -1.49 -0.07 0.00 -0.02 0.00 0.00 35.03 33.79 3bdm n LYS 18 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3bdm s ALA 19 N -2.68 3.14 -0.31 7.82 0.00 -0.66 -1.09 121.76 127.98 3bdm s ALA 19 Ca 0.17 0.35 -0.02 0.00 0.00 0.00 0.00 51.96 52.45 3bdm s ALA 19 Cb 0.18 -3.07 0.11 0.00 0.00 0.00 0.00 23.12 20.34 3bdm s ALA 19 CO 0.64 0.18 0.15 0.08 0.00 0.00 0.00 175.76 176.82 3bdm s VAL 20 N -1.99 0.16 -0.05 0.00 1.01 -0.17 -4.90 120.40 114.46 3bdm s VAL 20 Ca 0.57 -1.15 -0.03 0.00 0.00 0.00 0.00 61.98 61.38 3bdm s VAL 20 Cb -0.12 -1.14 -0.04 0.00 0.00 0.00 0.00 36.38 35.09 3bdm s VAL 20 CO 0.16 -0.80 0.10 -0.89 0.00 0.00 0.00 175.10 173.68 3bdm s THR 21 N 1.71 5.01 -0.38 3.92 2.01 -1.26 -0.59 115.64 126.07 3bdm s THR 21 Ca 0.12 -0.17 0.01 0.00 0.31 0.00 0.00 61.69 61.95 3bdm s THR 21 Cb -0.18 -3.24 0.12 0.00 0.01 0.00 0.00 72.50 69.21 3bdm s THR 21 CO -0.25 0.46 0.18 -0.13 -0.69 0.00 0.00 174.62 174.19 3bdm s ARG 22 N -1.46 0.92 5.60 4.92 1.81 -0.12 -4.91 118.95 125.71 3bdm s ARG 22 Ca 0.20 -1.53 0.00 0.00 -1.72 0.00 0.00 55.73 52.69 3bdm s ARG 22 Cb -0.12 -1.98 0.00 0.00 -0.45 0.00 0.00 34.95 32.40 3bdm s ARG 22 CO 0.10 -1.11 0.00 0.41 -0.68 0.00 0.00 175.30 174.02 3bdm n GLY 23 N 4.11 1.67 0.07 -3.53 0.00 -1.26 -3.09 105.19 103.16 3bdm n GLY 23 Ca 0.05 -0.14 0.11 0.00 0.00 0.00 0.00 46.02 46.05 3bdm n GLY 23 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3bdm n ILE 24 N 0.00 0.36 -5.01 -0.61 3.06 -1.26 -4.93 119.36 110.96 3bdm n ILE 24 Ca 0.00 -0.48 -0.32 0.00 -2.50 0.00 0.00 62.75 59.45 3bdm n ILE 24 Cb 0.00 -0.14 -0.14 0.00 0.54 0.00 0.00 39.64 39.90 3bdm n ILE 24 CO 0.00 0.00 0.00 -0.44 -2.50 0.00 0.00 176.55 173.61 3bdm s SER 25 N -4.84 3.72 -0.68 9.51 0.01 -1.18 -5.07 113.70 115.17 3bdm s SER 25 Ca -0.02 -0.29 -0.23 0.00 1.31 0.00 0.00 55.95 56.72 3bdm s SER 25 Cb 0.12 -0.78 0.07 0.00 0.21 0.00 0.00 66.02 65.64 3bdm s SER 25 CO 0.83 0.32 1.01 -0.69 0.41 0.00 0.00 173.24 175.11 3bdm s VAL 26 N -0.59 4.28 0.19 3.43 1.01 -1.26 -0.94 120.40 126.51 3bdm s VAL 26 Ca 0.08 -0.35 0.24 0.00 0.00 0.00 0.00 61.98 61.95 3bdm s VAL 26 Cb -0.11 -4.72 0.24 0.00 0.00 0.00 0.00 36.38 31.79 3bdm s VAL 26 CO 0.01 -1.51 1.86 -0.07 0.00 0.00 0.00 175.10 175.39 3bdm h LEU 27 N 11.49 0.00 -7.23 3.92 3.38 -1.20 -3.46 115.31 122.20 3bdm h LEU 27 Ca -0.26 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.62 3bdm h LEU 27 Cb 1.07 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.61 3bdm h LEU 27 CO 1.19 0.22 -0.07 -0.75 0.09 0.00 0.00 178.44 179.12 3bdm s LYS 28 N -3.74 0.76 0.00 1.13 2.20 -1.11 -4.99 119.74 113.99 3bdm s LYS 28 Ca -0.00 0.33 0.00 0.00 -0.36 0.00 0.00 55.97 55.93 3bdm s LYS 28 Cb 0.11 0.36 0.00 0.00 -1.51 0.00 0.00 37.83 36.78 3bdm s LYS 28 CO 0.63 -0.18 0.82 -0.40 -0.36 0.00 0.00 175.35 175.86 3bdm n ASP 29 N 1.81 1.59 -2.54 1.43 3.85 -1.25 -1.00 116.55 120.44 3bdm n ASP 29 Ca -0.17 -1.66 -0.15 0.00 -0.71 0.00 0.00 54.79 52.10 3bdm n ASP 29 Cb 0.56 0.00 0.02 0.00 -1.35 0.00 0.00 41.12 40.36 3bdm n ASP 29 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65 3bdm n SER 30 N -0.33 2.98 -4.78 -1.12 3.41 -1.06 -4.50 113.62 108.22 3bdm n SER 30 Ca 0.00 -3.05 -0.37 0.00 -0.26 0.00 0.00 58.87 55.18 3bdm n SER 30 Cb 0.19 -0.47 -0.06 0.00 -0.26 0.00 0.00 64.21 63.61 3bdm n SER 30 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3bdm s ASP 31 N -3.44 6.65 -0.65 4.04 -1.08 -0.25 -5.04 116.67 116.90 3bdm s ASP 31 Ca 0.37 0.77 -0.12 0.00 -0.52 0.00 0.00 52.55 53.05 3bdm s ASP 31 Cb 0.41 -2.23 0.17 0.00 -1.46 0.00 0.00 42.92 39.81 3bdm s ASP 31 CO -0.05 0.19 0.56 -0.62 0.52 0.00 0.00 175.17 175.78 3bdm s ASP 32 N -0.25 6.17 -0.61 -0.34 3.68 -1.26 -4.35 116.67 119.72 3bdm s ASP 32 Ca 0.22 -2.32 -0.07 0.00 2.13 0.00 0.00 52.55 52.51 3bdm s ASP 32 Cb -0.15 -2.12 -0.20 0.00 -1.45 0.00 0.00 42.92 39.01 3bdm s ASP 32 CO 0.09 -0.64 3.33 0.29 0.13 0.00 0.00 175.17 178.37 3bdm n LYS 33 N 4.43 2.60 -3.75 4.34 5.02 -1.26 -4.83 118.16 124.71 3bdm n LYS 33 Ca 0.01 -1.43 -0.10 0.00 -2.02 0.00 0.00 58.31 54.77 3bdm n LYS 33 Cb 0.43 -2.29 -0.06 0.00 -0.02 0.00 0.00 35.03 33.08 3bdm n LYS 33 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 3bdm s THR 34 N 1.48 0.10 -0.03 -0.18 -1.32 -1.26 -1.99 115.64 112.44 3bdm s THR 34 Ca 0.67 -0.79 -0.03 0.00 -1.21 0.00 0.00 61.69 60.33 3bdm s THR 34 Cb 0.26 -1.13 0.01 0.00 -1.51 0.00 0.00 72.50 70.14 3bdm s THR 34 CO -0.02 -0.44 0.09 -0.13 -2.21 0.00 0.00 174.62 171.91 3bdm s ARG 35 N -3.31 0.09 -0.14 7.08 1.81 -0.30 -5.00 118.95 119.18 3bdm s ARG 35 Ca 0.00 0.15 -0.20 0.00 -1.72 0.00 0.00 55.73 53.96 3bdm s ARG 35 Cb 0.02 0.00 -0.03 0.00 -0.45 0.00 0.00 34.95 34.49 3bdm s ARG 35 CO -0.08 -0.04 0.58 -1.14 -0.68 0.00 0.00 175.30 173.94 3bdm s GLN 36 N 0.23 4.31 -0.08 3.54 0.74 -1.26 -1.02 119.66 126.12 3bdm s GLN 36 Ca -0.02 0.60 0.15 0.00 0.05 0.00 0.00 55.36 56.15 3bdm s GLN 36 Cb -0.03 -3.49 -0.23 0.00 1.10 0.00 0.00 33.01 30.36 3bdm s GLN 36 CO -0.01 -0.01 0.50 1.28 -0.55 0.00 0.00 175.29 176.50 3bdm n LEU 37 N 4.20 0.59 -3.68 3.68 4.77 0.43 -4.93 117.00 122.06 3bdm n LEU 37 Ca -0.04 0.28 -0.08 0.00 -0.03 0.00 0.00 56.01 56.14 3bdm n LEU 37 Cb 0.51 0.26 -0.02 0.00 -2.33 0.00 0.00 43.42 41.84 3bdm n LEU 37 CO 0.44 0.39 0.52 -0.94 -1.33 0.00 0.00 177.39 176.47 3bdm s SER 38 N -5.85 -0.34 0.55 -1.43 1.04 -1.12 -4.26 113.70 102.30 3bdm s SER 38 Ca -0.06 -0.34 0.41 0.00 0.48 0.00 0.00 55.95 56.44 3bdm s SER 38 Cb 0.08 0.61 1.60 0.00 0.10 0.00 0.00 66.02 68.41 3bdm s SER 38 CO 0.83 -1.09 1.71 1.55 0.98 0.00 0.00 173.24 177.23 3bdm h PRO 39 N 2.00 0.00 0.00 4.02 0.13 -2.00 -1.59 132.00 134.56 3bdm h PRO 39 Ca -0.24 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.87 3bdm h PRO 39 Cb 1.26 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.36 3bdm h PRO 39 CO 0.28 0.00 -0.34 0.72 -0.23 0.00 0.00 178.00 178.43 3bdm n HIS 40 N -4.06 0.00 -3.67 1.56 8.25 -1.26 -3.68 115.22 112.35 3bdm n HIS 40 Ca 0.32 -1.09 -0.19 0.00 -0.26 0.00 0.00 57.72 56.50 3bdm n HIS 40 Cb 1.51 -0.18 -0.17 0.00 1.12 0.00 0.00 29.99 32.27 3bdm n HIS 40 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3bdm s THR 41 N -2.55 -0.15 0.01 1.59 2.01 -0.60 -0.71 115.64 115.25 3bdm s THR 41 Ca 0.32 0.40 0.09 0.00 0.31 0.00 0.00 61.69 62.81 3bdm s THR 41 Cb 0.30 -0.18 -0.02 0.00 0.01 0.00 0.00 72.50 72.60 3bdm s THR 41 CO -0.03 0.17 -0.26 -0.22 -0.69 0.00 0.00 174.62 173.59 3bdm s LEU 42 N 2.16 2.14 -0.10 4.42 2.96 0.50 -0.42 118.68 130.35 3bdm s LEU 42 Ca 0.04 -0.52 -0.00 0.00 -0.22 0.00 0.00 54.13 53.42 3bdm s LEU 42 Cb -0.12 -1.32 0.02 0.00 0.50 0.00 0.00 46.19 45.27 3bdm s LEU 42 CO -0.04 0.29 -0.06 -0.32 -1.32 0.00 0.00 176.35 174.90 3bdm s MET 43 N -0.96 1.25 0.12 1.98 -2.45 -0.19 -0.40 119.30 118.64 3bdm s MET 43 Ca 0.11 -0.16 -0.04 0.00 -1.25 0.00 0.00 55.69 54.36 3bdm s MET 43 Cb -0.10 -1.37 -0.05 0.00 1.25 0.00 0.00 34.83 34.56 3bdm s MET 43 CO 0.01 -0.25 0.34 -1.54 1.05 0.00 0.00 175.02 174.63 3bdm s SER 44 N 1.67 6.47 0.03 1.11 1.04 -0.06 -1.15 113.70 122.82 3bdm s SER 44 Ca 0.03 0.53 -0.12 0.00 0.48 0.00 0.00 55.95 56.87 3bdm s SER 44 Cb -0.13 -2.07 0.01 0.00 0.10 0.00 0.00 66.02 63.94 3bdm s SER 44 CO -0.06 0.09 0.25 0.72 0.98 0.00 0.00 173.24 175.21 3bdm s PHE 45 N -1.61 -0.03 -0.17 5.02 -0.12 -0.84 -0.73 117.98 119.49 3bdm s PHE 45 Ca 0.39 -0.11 -0.21 0.00 -0.05 0.00 0.00 56.93 56.95 3bdm s PHE 45 Cb -0.12 0.03 0.05 0.00 -0.63 0.00 0.00 43.02 42.35 3bdm s PHE 45 CO 0.25 -0.44 0.56 0.00 -0.05 0.00 0.00 175.22 175.54 3bdm s ALA 46 N -2.35 -1.40 0.00 1.99 0.00 -0.42 -4.82 121.76 114.76 3bdm s ALA 46 Ca -0.07 1.46 0.00 0.00 0.00 0.00 0.00 51.96 53.35 3bdm s ALA 46 Cb -0.02 -0.72 0.00 0.00 0.00 0.00 0.00 23.12 22.38 3bdm s ALA 46 CO -0.02 -0.28 0.00 0.41 0.00 0.00 0.00 175.76 175.86 3bdm n GLY 47 N 2.39 -0.60 3.76 0.00 0.00 -1.26 -0.60 105.19 108.88 3bdm n GLY 47 Ca -0.15 -0.44 -0.38 0.00 0.00 0.00 0.00 46.02 45.05 3bdm n GLY 47 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3bdm s GLU 48 N -1.58 3.33 0.24 1.61 2.56 0.38 -4.87 118.70 120.38 3bdm s GLU 48 Ca 0.00 2.06 -0.13 0.00 0.00 0.00 0.00 54.97 56.91 3bdm s GLU 48 Cb 0.00 -2.29 0.33 0.00 2.00 0.00 0.00 34.13 34.17 3bdm s GLU 48 CO 0.00 -0.98 1.57 0.00 -0.56 0.00 0.00 175.26 175.29 3bdm h ALA 49 N 1.62 0.41 0.00 6.30 0.00 -2.01 -2.55 119.26 123.04 3bdm h ALA 49 Ca -0.50 0.31 -0.28 0.00 0.00 0.00 0.00 54.91 54.44 3bdm h ALA 49 Cb 1.28 0.77 -0.04 0.00 0.00 0.00 0.00 17.79 19.80 3bdm h ALA 49 CO 0.58 -0.48 -1.52 0.41 0.00 0.00 0.00 179.25 178.24 3bdm n GLY 50 N -1.53 -0.76 0.34 0.00 0.00 -1.26 -4.44 105.19 97.53 3bdm n GLY 50 Ca 0.12 0.06 0.11 0.00 0.00 0.00 0.00 46.02 46.31 3bdm n GLY 50 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3bdm h ASP 51 N -0.96 -0.58 -0.39 1.61 5.19 -1.91 -2.75 116.42 116.63 3bdm h ASP 51 Ca -0.42 0.27 0.04 0.00 -0.62 0.00 0.00 57.03 56.31 3bdm h ASP 51 Cb 1.39 0.50 -0.06 0.00 0.18 0.00 0.00 39.33 41.34 3bdm h ASP 51 CO -0.24 -0.32 -0.37 0.00 -3.12 0.00 0.00 179.24 175.19 3bdm h THR 52 N 0.02 0.00 -0.05 0.35 1.03 -1.67 0.94 112.91 113.53 3bdm h THR 52 Ca 0.54 0.00 -0.03 0.00 -0.01 0.00 0.00 66.41 66.91 3bdm h THR 52 Cb 1.02 0.00 -0.00 0.00 -1.07 0.00 0.00 68.15 68.10 3bdm h THR 52 CO -0.91 0.00 -0.08 0.58 -0.01 0.00 0.00 175.52 175.10 3bdm h VAL 53 N -0.17 1.40 -0.98 0.00 2.07 -1.76 -2.86 116.25 113.95 3bdm h VAL 53 Ca 0.07 -1.32 0.20 0.00 0.82 0.00 0.00 66.70 66.47 3bdm h VAL 53 Cb 0.34 2.16 -0.09 0.00 -1.52 0.00 0.00 31.29 32.18 3bdm h VAL 53 CO -0.46 0.36 0.62 1.56 0.02 0.00 0.00 177.57 179.67 3bdm h GLN 54 N -0.33 0.61 0.08 1.57 1.08 -1.35 -0.44 115.11 116.33 3bdm h GLN 54 Ca 0.01 -0.04 -0.00 0.00 -1.45 0.00 0.00 58.65 57.16 3bdm h GLN 54 Cb 0.63 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 27.92 3bdm h GLN 54 CO 0.02 0.40 -0.04 0.35 -0.95 0.00 0.00 178.83 178.61 3bdm h PHE 55 N 0.63 -0.10 -0.24 2.96 3.04 -0.82 -2.37 116.94 120.03 3bdm h PHE 55 Ca 0.55 -0.00 0.06 0.00 3.98 0.00 0.00 57.97 62.56 3bdm h PHE 55 Cb 1.04 0.03 -0.06 0.00 2.56 0.00 0.00 35.95 39.53 3bdm h PHE 55 CO -0.00 0.41 -0.16 0.00 -2.02 0.00 0.00 178.31 176.54 3bdm h ALA 56 N 0.08 0.01 -0.73 2.41 0.00 -1.15 0.93 119.26 120.81 3bdm h ALA 56 Ca -0.01 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3bdm h ALA 56 Cb 0.56 0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 3bdm h ALA 56 CO 0.02 -0.58 0.40 0.93 0.00 0.00 0.00 179.25 180.03 3bdm h GLU 57 N -0.15 1.02 -0.15 0.00 5.08 -1.20 0.20 114.58 119.38 3bdm h GLU 57 Ca 0.13 -0.12 0.02 0.00 -1.00 0.00 0.00 59.36 58.39 3bdm h GLU 57 Cb 0.35 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 3bdm h GLU 57 CO -0.33 0.76 0.01 -0.92 -1.00 0.00 0.00 179.01 177.54 3bdm h TYR 58 N 1.01 0.02 -0.60 4.33 3.20 -0.81 0.19 116.97 124.31 3bdm h TYR 58 Ca 0.26 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.12 3bdm h TYR 58 Cb 0.04 0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.29 3bdm h TYR 58 CO -0.00 -0.00 0.29 0.82 -1.64 0.00 0.00 178.16 177.62 3bdm h ILE 59 N 0.07 1.20 0.84 1.81 1.08 -0.33 -2.40 117.51 119.77 3bdm h ILE 59 Ca 0.07 -0.54 -0.04 0.00 -0.39 0.00 0.00 64.86 63.95 3bdm h ILE 59 Cb 0.07 0.43 0.01 0.00 -3.07 0.00 0.00 36.82 34.26 3bdm h ILE 59 CO -0.11 0.23 -0.40 -0.61 -0.69 0.00 0.00 178.15 176.57 3bdm h GLN 60 N 0.84 -1.09 -0.86 2.37 4.15 0.40 -2.01 115.11 118.91 3bdm h GLN 60 Ca 0.21 0.07 0.22 0.00 0.77 0.00 0.00 58.65 59.92 3bdm h GLN 60 Cb 0.08 0.25 -0.15 0.00 0.21 0.00 0.00 27.48 27.87 3bdm h GLN 60 CO -0.03 -0.72 0.08 0.00 -1.93 0.00 0.00 178.83 176.22 3bdm h ALA 61 N -1.45 1.04 -0.64 3.38 0.00 -0.53 0.32 119.26 121.38 3bdm h ALA 61 Ca -0.12 0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 3bdm h ALA 61 Cb 0.86 0.44 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 3bdm h ALA 61 CO 0.19 -0.48 0.09 -0.91 0.00 0.00 0.00 179.25 178.14 3bdm h ASN 62 N 0.11 1.02 0.34 0.00 4.21 -1.31 -1.19 115.58 118.76 3bdm h ASN 62 Ca 0.51 -0.27 -0.14 0.00 1.21 0.00 0.00 56.30 57.61 3bdm h ASN 62 Cb 0.98 -0.27 -0.01 0.00 -1.12 0.00 0.00 38.32 37.90 3bdm h ASN 62 CO -0.74 1.03 -0.57 0.40 -1.29 0.00 0.00 177.43 176.26 3bdm h ILE 63 N 0.97 1.37 -0.47 2.81 2.04 -0.25 -1.70 117.51 122.28 3bdm h ILE 63 Ca 0.19 -1.90 -0.12 0.00 1.00 0.00 0.00 64.86 64.03 3bdm h ILE 63 Cb 0.45 1.94 -0.02 0.00 -0.74 0.00 0.00 36.82 38.46 3bdm h ILE 63 CO 0.01 0.56 -0.18 1.56 0.00 0.00 0.00 178.15 180.11 3bdm h GLN 64 N 0.18 0.93 -0.62 2.37 4.20 -0.88 -1.85 115.11 119.43 3bdm h GLN 64 Ca -0.00 -0.37 -0.02 0.00 0.06 0.00 0.00 58.65 58.32 3bdm h GLN 64 Cb 1.06 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.76 3bdm h GLN 64 CO 0.09 1.02 0.32 1.25 -0.67 0.00 0.00 178.83 180.84 3bdm h LEU 65 N 0.81 0.80 -0.78 1.46 5.85 -0.97 -1.06 115.31 121.42 3bdm h LEU 65 Ca 0.12 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 3bdm h LEU 65 Cb 0.72 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.51 3bdm h LEU 65 CO 0.06 0.69 0.44 0.22 -0.34 0.00 0.00 178.44 179.50 3bdm h TYR 66 N 0.85 1.05 0.06 1.25 3.20 -1.08 0.08 116.97 122.38 3bdm h TYR 66 Ca 0.22 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.07 3bdm h TYR 66 Cb 0.09 -0.34 -0.01 0.00 1.54 0.00 0.00 36.73 38.01 3bdm h TYR 66 CO -0.00 0.73 -0.07 0.77 -1.64 0.00 0.00 178.16 177.95 3bdm h SER 67 N 1.07 -0.18 -0.00 -2.11 0.02 -0.70 0.14 113.55 111.78 3bdm h SER 67 Ca 0.27 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.24 3bdm h SER 67 Cb 0.02 0.07 -0.00 0.00 0.14 0.00 0.00 62.40 62.62 3bdm h SER 67 CO -0.05 -0.11 0.00 0.40 -1.14 0.00 0.00 176.83 175.94 3bdm h ILE 68 N -0.15 1.02 -0.68 3.27 1.08 -1.00 1.77 117.51 122.82 3bdm h ILE 68 Ca 0.01 -0.07 -0.03 0.00 -0.39 0.00 0.00 64.86 64.38 3bdm h ILE 68 Cb 0.15 1.06 -0.03 0.00 -3.07 0.00 0.00 36.82 34.93 3bdm h ILE 68 CO -0.03 0.02 0.31 -0.09 -0.69 0.00 0.00 178.15 177.67 3bdm h ARG 69 N -0.02 0.98 -0.00 2.37 2.43 -0.84 -3.07 114.38 116.21 3bdm h ARG 69 Ca 0.00 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.03 3bdm h ARG 69 Cb 0.03 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.40 3bdm h ARG 69 CO -0.00 0.77 -0.76 0.39 -1.51 0.00 0.00 179.97 178.86 3bdm n GLU 70 N -4.33 0.87 -3.91 0.20 4.71 0.46 -4.98 120.64 113.66 3bdm n GLU 70 Ca 0.06 -0.30 -0.28 0.00 -0.01 0.00 0.00 57.16 56.63 3bdm n GLU 70 Cb 0.15 -1.41 -0.01 0.00 -1.01 0.00 0.00 31.44 29.16 3bdm n GLU 70 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 3bdm n ASP 71 N -1.01 -1.69 -3.53 1.62 4.64 0.60 -4.94 116.55 112.24 3bdm n ASP 71 Ca 0.05 -1.04 -0.15 0.00 -1.38 0.00 0.00 54.79 52.27 3bdm n ASP 71 Cb 0.34 -2.97 -0.05 0.00 -1.04 0.00 0.00 41.12 37.39 3bdm n ASP 71 CO 0.00 0.00 0.00 -0.47 -0.82 0.00 0.00 177.20 175.91 3bdm s TYR 72 N -3.83 -0.54 -0.29 -0.67 5.04 -1.09 -5.05 117.35 110.92 3bdm s TYR 72 Ca 0.15 0.89 -0.08 0.00 -2.44 0.00 0.00 57.07 55.58 3bdm s TYR 72 Cb -0.06 0.44 -0.01 0.00 0.35 0.00 0.00 41.96 42.68 3bdm s TYR 72 CO 0.89 -0.53 0.11 -2.00 -1.34 0.00 0.00 175.55 172.68 3bdm s GLU 73 N -1.37 3.36 0.32 4.97 2.12 -1.26 -4.11 118.70 122.73 3bdm s GLU 73 Ca -0.07 -0.69 -0.29 0.00 0.36 0.00 0.00 54.97 54.29 3bdm s GLU 73 Cb -0.00 -3.45 -0.12 0.00 0.26 0.00 0.00 34.13 30.82 3bdm s GLU 73 CO 0.05 -0.36 1.39 1.28 -0.54 0.00 0.00 175.26 177.09 3bdm n LEU 74 N 4.94 3.77 -4.72 2.70 4.77 -1.26 -4.95 117.00 122.25 3bdm n LEU 74 Ca -0.15 1.19 -0.33 0.00 -0.03 0.00 0.00 56.01 56.69 3bdm n LEU 74 Cb 0.49 -1.51 0.11 0.00 -2.33 0.00 0.00 43.42 40.18 3bdm n LEU 74 CO 0.32 -0.28 0.77 -0.94 -1.33 0.00 0.00 177.39 175.93 3bdm s SER 75 N -0.03 3.99 0.13 -1.43 1.04 -1.26 -4.74 113.70 111.40 3bdm s SER 75 Ca 0.59 2.28 -0.22 0.00 0.48 0.00 0.00 55.95 59.07 3bdm s SER 75 Cb -0.56 -2.58 -0.03 0.00 0.10 0.00 0.00 66.02 62.95 3bdm s SER 75 CO 0.58 -2.40 1.67 -0.65 0.98 0.00 0.00 173.24 173.42 3bdm h PRO 76 N -0.66 -0.19 -0.74 4.02 0.11 -1.92 -0.59 132.00 132.04 3bdm h PRO 76 Ca -0.46 0.01 0.16 0.00 0.11 0.00 0.00 66.00 65.82 3bdm h PRO 76 Cb 1.28 0.04 -0.13 0.00 0.11 0.00 0.00 31.00 32.30 3bdm h PRO 76 CO 0.48 -0.12 -0.10 0.37 -0.21 0.00 0.00 178.00 178.42 3bdm h GLN 77 N -0.19 0.04 -0.38 1.05 -0.00 -1.97 0.40 115.11 114.06 3bdm h GLN 77 Ca 0.08 -0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.70 3bdm h GLN 77 Cb 0.31 -0.01 -0.02 0.00 0.00 0.00 0.00 27.48 27.77 3bdm h GLN 77 CO -0.22 0.03 0.11 0.00 0.00 0.00 0.00 178.83 178.74 3bdm h ALA 78 N 1.72 0.49 -0.71 3.38 0.00 -1.73 -1.36 119.26 121.04 3bdm h ALA 78 Ca 0.38 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 3bdm h ALA 78 Cb 0.62 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 3bdm h ALA 78 CO -0.71 0.15 0.40 0.28 0.00 0.00 0.00 179.25 179.37 3bdm h VAL 79 N 0.46 1.21 0.00 0.00 2.07 0.61 -1.24 116.25 119.35 3bdm h VAL 79 Ca 0.12 -0.50 -0.07 0.00 0.82 0.00 0.00 66.70 67.08 3bdm h VAL 79 Cb 0.28 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 3bdm h VAL 79 CO -0.00 0.23 -0.31 0.77 0.02 0.00 0.00 177.57 178.28 3bdm h SER 80 N 0.98 0.00 0.71 0.57 4.64 -0.01 -2.01 113.55 118.43 3bdm h SER 80 Ca 0.25 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.36 3bdm h SER 80 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 3bdm h SER 80 CO -0.04 0.31 -0.95 0.28 -0.87 0.00 0.00 176.83 175.56 3bdm h SER 81 N 0.00 0.19 -0.12 4.97 0.02 -0.17 -1.49 113.55 116.95 3bdm h SER 81 Ca -0.00 -0.17 -0.15 0.00 -0.84 0.00 0.00 61.79 60.62 3bdm h SER 81 Cb 0.81 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.28 3bdm h SER 81 CO 0.04 1.03 -0.47 0.15 -1.14 0.00 0.00 176.83 176.44 3bdm h PHE 82 N 0.06 0.83 -0.16 3.45 3.04 -0.99 -2.27 116.94 120.91 3bdm h PHE 82 Ca -0.05 -0.27 -0.14 0.00 3.98 0.00 0.00 57.97 61.49 3bdm h PHE 82 Cb 1.62 -0.17 0.00 0.00 2.56 0.00 0.00 35.95 39.97 3bdm h PHE 82 CO 0.02 1.02 -0.46 0.28 -2.02 0.00 0.00 178.31 177.16 3bdm h VAL 83 N 0.54 1.34 -0.80 1.41 2.07 -1.31 -1.71 116.25 117.78 3bdm h VAL 83 Ca 0.03 -1.71 0.02 0.00 0.82 0.00 0.00 66.70 65.86 3bdm h VAL 83 Cb 1.02 1.98 -0.04 0.00 -1.52 0.00 0.00 31.29 32.72 3bdm h VAL 83 CO 0.10 0.53 0.53 -0.09 0.02 0.00 0.00 177.57 178.65 3bdm h ARG 84 N 0.26 1.02 -0.35 1.57 2.43 -1.25 -1.62 114.38 116.44 3bdm h ARG 84 Ca -0.01 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.06 3bdm h ARG 84 Cb 1.07 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 30.38 3bdm h ARG 84 CO 0.10 0.68 0.08 0.37 -1.51 0.00 0.00 179.97 179.69 3bdm h GLN 85 N 1.05 0.55 -0.93 0.20 4.15 -1.25 -0.39 115.11 118.50 3bdm h GLN 85 Ca 0.30 -0.13 0.03 0.00 0.77 0.00 0.00 58.65 59.62 3bdm h GLN 85 Cb -0.07 -0.07 -0.05 0.00 0.21 0.00 0.00 27.48 27.50 3bdm h GLN 85 CO -0.07 0.61 0.61 0.93 -1.93 0.00 0.00 178.83 178.98 3bdm h GLU 86 N 0.41 1.15 -0.08 1.69 4.39 -0.55 -2.05 114.58 119.54 3bdm h GLU 86 Ca 0.11 -0.07 -0.23 0.00 0.34 0.00 0.00 59.36 59.50 3bdm h GLU 86 Cb 0.30 -0.26 0.01 0.00 -0.10 0.00 0.00 28.75 28.70 3bdm h GLU 86 CO 0.00 0.76 -0.88 -0.07 -1.16 0.00 0.00 179.01 177.67 3bdm h LEU 87 N 1.19 0.85 -2.32 1.33 3.38 -1.10 -2.06 115.31 116.58 3bdm h LEU 87 Ca 0.37 -0.61 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 3bdm h LEU 87 Cb -0.01 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.48 3bdm h LEU 87 CO -0.11 1.40 -0.03 0.00 0.09 0.00 0.00 178.44 179.79 3bdm h ALA 88 N 0.56 1.47 0.05 1.53 0.00 -0.69 0.22 119.26 122.39 3bdm h ALA 88 Ca -0.08 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 3bdm h ALA 88 Cb 1.51 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.31 3bdm h ALA 88 CO 0.17 0.04 -0.42 0.87 0.00 0.00 0.00 179.25 179.91 3bdm h LYS 89 N 0.00 0.20 -0.81 0.00 1.57 -1.24 -3.32 116.57 112.98 3bdm h LYS 89 Ca -0.00 -0.28 0.07 0.00 -1.87 0.00 0.00 60.65 58.56 3bdm h LYS 89 Cb 0.09 0.10 -0.06 0.00 0.08 0.00 0.00 32.23 32.43 3bdm h LYS 89 CO 0.00 1.07 0.48 1.03 -0.57 0.00 0.00 179.45 181.47 3bdm h SER 90 N -0.53 0.74 -0.76 0.86 0.87 -0.51 -2.73 113.55 111.50 3bdm h SER 90 Ca -0.07 0.02 0.11 0.00 -1.23 0.00 0.00 61.79 60.63 3bdm h SER 90 Cb 1.25 -0.13 -0.05 0.00 -0.44 0.00 0.00 62.40 63.04 3bdm h SER 90 CO 0.08 0.47 0.50 -0.29 -0.53 0.00 0.00 176.83 177.06 3bdm h ILE 90 N 0.87 0.89 -0.51 2.23 6.09 -0.72 -1.14 117.51 125.23 3bdm h ILE 90 Ca 0.36 -0.20 0.00 0.00 -1.37 0.00 0.00 64.86 63.65 3bdm h ILE 90 Cb 0.21 0.25 0.00 0.00 0.47 0.00 0.00 36.82 37.74 3bdm h ILE 90 CO -0.19 0.11 0.00 0.54 -3.07 0.00 0.00 178.15 175.54 3bdm n ARG 90 N -4.50 3.74 -2.18 2.19 1.74 -1.05 -4.85 116.66 111.75 3bdm n ARG 90 Ca 0.13 -2.86 -0.22 0.00 -0.77 0.00 0.00 57.85 54.13 3bdm n ARG 90 Cb 0.39 -1.90 0.13 0.00 -1.02 0.00 0.00 32.46 30.06 3bdm n ARG 90 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3bdm n SER 91 N 0.59 0.89 0.29 0.55 3.41 -0.43 -5.03 113.62 113.89 3bdm n SER 91 Ca 0.24 -1.85 -0.12 0.00 -0.26 0.00 0.00 58.87 56.87 3bdm n SER 91 Cb 0.91 -0.67 -0.06 0.00 -0.26 0.00 0.00 64.21 64.13 3bdm n SER 91 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 3bdm h ARG 92 N 0.00 -0.74 -4.39 4.33 2.43 -1.93 -3.38 114.38 110.71 3bdm h ARG 92 Ca -0.32 0.05 -0.65 0.00 -0.81 0.00 0.00 59.98 58.24 3bdm h ARG 92 Cb 1.09 0.17 -0.40 0.00 -0.42 0.00 0.00 29.97 30.40 3bdm h ARG 92 CO 0.31 -0.49 -0.70 0.50 -1.51 0.00 0.00 179.97 178.07 3bdm s ARG 93 N -4.75 1.59 0.70 0.20 3.52 -1.26 -5.11 118.95 113.84 3bdm s ARG 93 Ca -0.12 -2.04 -0.16 0.00 -0.13 0.00 0.00 55.73 53.29 3bdm s ARG 93 Cb 0.01 -3.22 0.02 0.00 -1.56 0.00 0.00 34.95 30.20 3bdm s ARG 93 CO 0.35 -0.98 1.21 -2.14 -0.81 0.00 0.00 175.30 172.93 3bdm s PRO 94 N 0.64 2.32 -0.13 5.12 0.02 -1.26 -5.00 135.00 136.71 3bdm s PRO 94 Ca 0.12 1.76 -0.27 0.00 0.02 0.00 0.00 61.00 62.63 3bdm s PRO 94 Cb -0.21 -1.85 -0.02 0.00 0.02 0.00 0.00 34.50 32.44 3bdm s PRO 94 CO -0.06 -1.70 0.90 0.71 -0.33 0.00 0.00 177.00 176.52 3bdm s TYR 95 N -1.92 3.48 -0.96 6.54 2.02 -1.26 -4.98 117.35 120.26 3bdm s TYR 95 Ca 0.75 1.41 -0.07 0.00 -0.37 0.00 0.00 57.07 58.79 3bdm s TYR 95 Cb -0.29 -3.07 0.24 0.00 -0.40 0.00 0.00 41.96 38.44 3bdm s TYR 95 CO 0.43 -0.20 0.90 -0.65 -1.57 0.00 0.00 175.55 174.47 3bdm s GLN 96 N 1.94 3.71 -0.01 -0.62 -0.21 -1.26 -4.77 119.66 118.44 3bdm s GLN 96 Ca 0.43 -3.06 -0.00 0.00 0.02 0.00 0.00 55.36 52.75 3bdm s GLN 96 Cb -0.17 -4.30 0.01 0.00 1.00 0.00 0.00 33.01 29.55 3bdm s GLN 96 CO 0.16 -1.25 0.02 0.08 -2.12 0.00 0.00 175.29 172.17 3bdm s VAL 97 N -0.95 -0.02 -0.01 1.09 1.01 -1.26 -0.47 120.40 119.79 3bdm s VAL 97 Ca 0.26 0.09 0.05 0.00 0.00 0.00 0.00 61.98 62.38 3bdm s VAL 97 Cb -0.10 -0.04 -0.03 0.00 0.00 0.00 0.00 36.38 36.21 3bdm s VAL 97 CO -0.09 0.04 -0.14 0.20 0.00 0.00 0.00 175.10 175.10 3bdm s ASN 98 N 0.43 4.06 0.04 3.32 0.01 0.23 -2.03 114.94 121.00 3bdm s ASN 98 Ca -0.04 -0.26 -0.01 0.00 -0.71 0.00 0.00 52.86 51.84 3bdm s ASN 98 Cb -0.05 -0.81 -0.03 0.00 0.41 0.00 0.00 41.25 40.77 3bdm s ASN 98 CO -0.01 0.30 -0.03 0.68 -1.51 0.00 0.00 177.10 176.53 3bdm s VAL 99 N -0.85 0.18 -0.11 1.60 -7.23 0.27 -1.30 120.40 112.96 3bdm s VAL 99 Ca 0.14 -1.52 0.03 0.00 -1.81 0.00 0.00 61.98 58.82 3bdm s VAL 99 Cb -0.11 -1.12 -0.00 0.00 0.56 0.00 0.00 36.38 35.72 3bdm s VAL 99 CO 0.03 -0.84 -0.22 -0.76 -0.31 0.00 0.00 175.10 173.01 3bdm s LEU 100 N -2.45 2.17 -0.18 1.32 1.43 0.09 -1.25 118.68 119.81 3bdm s LEU 100 Ca -0.00 -0.54 -0.01 0.00 -1.03 0.00 0.00 54.13 52.55 3bdm s LEU 100 Cb 0.02 -1.44 0.00 0.00 0.03 0.00 0.00 46.19 44.81 3bdm s LEU 100 CO -0.07 0.15 -0.14 -0.63 0.23 0.00 0.00 176.35 175.89 3bdm s ILE 101 N 0.42 2.63 -0.10 -0.59 1.01 0.15 -0.88 121.20 123.84 3bdm s ILE 101 Ca -0.16 -0.76 0.02 0.00 0.00 0.00 0.00 60.65 59.75 3bdm s ILE 101 Cb -0.17 -2.13 0.01 0.00 0.01 0.00 0.00 42.46 40.18 3bdm s ILE 101 CO 0.07 0.50 -0.15 -0.83 0.00 0.00 0.00 174.94 174.53 3bdm s GLY 102 N 1.17 1.02 0.19 6.18 0.00 0.46 0.52 107.32 116.86 3bdm s GLY 102 Ca 0.01 -0.70 -0.13 0.00 0.00 0.00 0.00 44.72 43.91 3bdm s GLY 102 CO -0.06 0.21 0.41 -0.32 0.00 0.00 0.00 173.10 173.34 3bdm s GLY 103 N 0.94 0.29 -0.26 0.20 0.00 -0.56 -0.37 107.32 107.55 3bdm s GLY 103 Ca -0.08 -0.65 -0.04 0.00 0.00 0.00 0.00 44.72 43.95 3bdm s GLY 103 CO -0.01 -0.59 0.01 -0.47 0.00 0.00 0.00 173.10 172.04 3bdm s TYR 104 N -3.95 3.08 0.00 1.90 6.14 0.11 -0.21 117.35 124.42 3bdm s TYR 104 Ca 0.15 -1.13 0.00 0.00 0.64 0.00 0.00 57.07 56.73 3bdm s TYR 104 Cb 0.01 -2.16 0.00 0.00 0.42 0.00 0.00 41.96 40.23 3bdm s TYR 104 CO 0.01 -0.61 0.00 -3.47 0.64 0.00 0.00 175.55 172.12 3bdm n ASP 105 N 4.79 0.00 0.00 4.32 4.64 -0.06 -4.85 116.55 125.38 3bdm n ASP 105 Ca -0.16 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.25 3bdm n ASP 105 Cb 0.48 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.56 3bdm n ASP 105 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 3bdm n LYS 10 N 0.00 0.00 -3.43 -0.67 5.02 -1.26 -3.00 118.16 114.82 3bdm n LYS 10 Ca 0.00 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.11 3bdm n LYS 10 Cb 0.00 -2.08 0.07 0.00 -0.02 0.00 0.00 35.03 33.00 3bdm n LYS 10 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3bdm n ASN 106 N 0.00 -3.36 -3.83 4.39 3.02 -1.26 -5.03 115.26 109.19 3bdm n ASN 106 Ca 0.00 -0.69 -0.12 0.00 -0.03 0.00 0.00 54.58 53.74 3bdm n ASN 106 Cb 0.00 -4.93 -0.09 0.00 -0.61 0.00 0.00 39.78 34.14 3bdm n ASN 106 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3bdm s LYS 107 N -5.20 0.56 0.27 3.52 1.02 -1.16 -5.07 119.74 113.67 3bdm s LYS 107 Ca 0.15 -0.32 -0.11 0.00 0.02 0.00 0.00 55.97 55.71 3bdm s LYS 107 Cb -0.02 0.24 -0.07 0.00 -0.52 0.00 0.00 37.83 37.45 3bdm s LYS 107 CO 0.75 -0.14 0.61 -1.25 -0.92 0.00 0.00 175.35 174.40 3bdm s PRO 108 N -1.37 3.84 0.00 -1.68 0.04 -1.26 -0.88 135.00 133.69 3bdm s PRO 108 Ca -0.14 0.37 0.01 0.00 0.04 0.00 0.00 61.00 61.27 3bdm s PRO 108 Cb -0.07 -2.57 -0.01 0.00 0.04 0.00 0.00 34.50 31.90 3bdm s PRO 108 CO 0.03 0.24 -0.03 -1.21 0.04 0.00 0.00 177.00 176.07 3bdm s GLU 109 N -3.01 0.23 -0.07 4.56 2.02 0.70 -4.94 118.70 118.20 3bdm s GLU 109 Ca 0.49 -0.19 0.04 0.00 0.02 0.00 0.00 54.97 55.33 3bdm s GLU 109 Cb -0.11 -0.16 0.00 0.00 0.10 0.00 0.00 34.13 33.96 3bdm s GLU 109 CO 0.22 0.04 -0.20 -1.17 0.02 0.00 0.00 175.26 174.17 3bdm s LEU 110 N -0.32 1.93 -0.03 1.80 2.96 -1.26 -1.50 118.68 122.26 3bdm s LEU 110 Ca -0.02 -0.44 0.05 0.00 -0.22 0.00 0.00 54.13 53.50 3bdm s LEU 110 Cb -0.03 -1.16 -0.01 0.00 0.50 0.00 0.00 46.19 45.50 3bdm s LEU 110 CO -0.00 0.14 -0.17 -0.31 -1.32 0.00 0.00 176.35 174.69 3bdm s TYR 111 N 0.30 1.60 -0.17 5.38 2.02 0.19 -2.46 117.35 124.21 3bdm s TYR 111 Ca -0.13 -0.40 -0.00 0.00 -0.37 0.00 0.00 57.07 56.17 3bdm s TYR 111 Cb -0.16 -1.07 0.00 0.00 -0.40 0.00 0.00 41.96 40.34 3bdm s TYR 111 CO 0.06 -0.11 -0.15 -1.14 -1.57 0.00 0.00 175.55 172.64 3bdm s GLN 112 N -0.11 3.18 -0.04 -0.62 0.74 -0.24 0.34 119.66 122.91 3bdm s GLN 112 Ca -0.00 -0.75 0.01 0.00 0.05 0.00 0.00 55.36 54.67 3bdm s GLN 112 Cb -0.10 -2.67 0.02 0.00 1.10 0.00 0.00 33.01 31.36 3bdm s GLN 112 CO 0.01 -0.08 -0.06 0.42 -0.55 0.00 0.00 175.29 175.03 3bdm s ILE 113 N 1.05 0.62 0.33 -2.34 1.01 -0.38 -1.62 121.20 119.86 3bdm s ILE 113 Ca -0.01 -0.19 0.07 0.00 0.00 0.00 0.00 60.65 60.52 3bdm s ILE 113 Cb -0.15 -0.62 -0.02 0.00 0.01 0.00 0.00 42.46 41.69 3bdm s ILE 113 CO -0.04 0.23 0.37 1.51 0.00 0.00 0.00 174.94 177.02 3bdm s ASP 114 N 0.74 5.65 0.63 3.58 3.84 -0.75 -0.57 116.67 129.80 3bdm s ASP 114 Ca -0.11 -0.32 0.21 0.00 -0.00 0.00 0.00 52.55 52.33 3bdm s ASP 114 Cb -0.14 -1.15 1.16 0.00 -1.38 0.00 0.00 42.92 41.42 3bdm s ASP 114 CO 0.01 -0.36 1.64 0.10 -0.00 0.00 0.00 175.17 176.56 3bdm h TYR 115 N 1.10 0.00 0.00 2.11 -0.00 -1.71 0.31 116.97 118.77 3bdm h TYR 115 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.27 3bdm h TYR 115 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.98 3bdm h TYR 115 CO 0.48 0.00 0.00 -0.07 -0.00 0.00 0.00 178.16 178.57 3bdm h LEU 116 N 0.00 0.00 0.00 0.10 3.38 -1.87 -3.40 115.31 113.52 3bdm h LEU 116 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3bdm h LEU 116 Cb 0.98 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.73 3bdm h LEU 116 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 3bdm n GLY 117 N 0.98 1.17 3.65 0.83 0.00 0.11 -4.28 105.19 107.65 3bdm n GLY 117 Ca 0.04 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 3bdm n GLY 117 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3bdm s THR 118 N -2.00 4.82 -0.03 2.61 2.01 -1.23 -4.80 115.64 117.01 3bdm s THR 118 Ca 0.00 1.63 0.07 0.00 0.31 0.00 0.00 61.69 63.70 3bdm s THR 118 Cb 0.00 -4.14 -0.02 0.00 0.01 0.00 0.00 72.50 68.35 3bdm s THR 118 CO 0.00 -0.08 -0.24 -0.75 -0.69 0.00 0.00 174.62 172.86 3bdm s LYS 119 N 2.84 2.12 -0.07 4.92 2.20 -1.26 -1.82 119.74 128.68 3bdm s LYS 119 Ca 0.36 -0.87 -0.13 0.00 -0.36 0.00 0.00 55.97 54.97 3bdm s LYS 119 Cb -0.15 -1.97 0.03 0.00 -1.51 0.00 0.00 37.83 34.22 3bdm s LYS 119 CO 0.07 0.48 0.32 0.54 -0.36 0.00 0.00 175.35 176.40 3bdm s VAL 120 N -0.44 0.03 -0.19 4.02 0.11 -0.64 -5.00 120.40 118.28 3bdm s VAL 120 Ca 0.06 -0.25 -0.10 0.00 -2.93 0.00 0.00 61.98 58.76 3bdm s VAL 120 Cb -0.11 -0.54 -0.05 0.00 -1.53 0.00 0.00 36.38 34.15 3bdm s VAL 120 CO 0.00 -0.14 0.14 -0.70 -3.33 0.00 0.00 175.10 171.07 3bdm s GLU 121 N -0.60 4.14 0.05 1.54 -6.30 -1.26 -1.08 118.70 115.18 3bdm s GLU 121 Ca -0.07 -0.20 -0.04 0.00 -2.50 0.00 0.00 54.97 52.16 3bdm s GLU 121 Cb -0.04 -3.40 -0.02 0.00 0.00 0.00 0.00 34.13 30.67 3bdm s GLU 121 CO 0.02 0.33 0.06 -0.51 0.02 0.00 0.00 175.26 175.18 3bdm s LEU 122 N 0.26 2.01 0.20 2.70 1.43 -1.03 -5.01 118.68 119.24 3bdm s LEU 122 Ca 0.09 -0.70 -0.06 0.00 -1.03 0.00 0.00 54.13 52.43 3bdm s LEU 122 Cb -0.11 0.48 0.14 0.00 0.03 0.00 0.00 46.19 46.73 3bdm s LEU 122 CO -0.01 -0.55 1.62 -0.65 0.23 0.00 0.00 176.35 176.99 3bdm h PRO 123 N 3.46 0.87 -2.53 1.29 0.11 -1.90 -3.38 132.00 129.93 3bdm h PRO 123 Ca -0.33 -0.34 -0.09 0.00 0.11 0.00 0.00 66.00 65.35 3bdm h PRO 123 Cb 1.17 -0.05 -0.21 0.00 0.11 0.00 0.00 31.00 32.03 3bdm h PRO 123 CO 0.55 0.98 -0.07 1.52 -0.21 0.00 0.00 178.00 180.77 3bdm s TYR 124 N -4.72 -0.46 0.30 0.65 1.13 -1.26 0.12 117.35 113.12 3bdm s TYR 124 Ca -0.10 0.90 -0.16 0.00 -1.41 0.00 0.00 57.07 56.30 3bdm s TYR 124 Cb 0.13 0.23 0.02 0.00 -1.10 0.00 0.00 41.96 41.24 3bdm s TYR 124 CO 0.85 -0.42 0.65 0.20 -2.51 0.00 0.00 175.55 174.31 3bdm s GLY 125 N -0.77 0.29 0.13 5.49 0.00 0.79 -4.98 107.32 108.27 3bdm s GLY 125 Ca -0.08 -0.64 -0.24 0.00 0.00 0.00 0.00 44.72 43.75 3bdm s GLY 125 CO 0.05 -0.35 0.64 0.00 0.00 0.00 0.00 173.10 173.43 3bdm s ALA 126 N -3.58 -1.63 0.24 3.20 0.00 -1.26 -0.41 121.76 118.32 3bdm s ALA 126 Ca 0.17 0.59 0.11 0.00 0.00 0.00 0.00 51.96 52.83 3bdm s ALA 126 Cb -0.04 0.78 -0.05 0.00 0.00 0.00 0.00 23.12 23.82 3bdm s ALA 126 CO 0.09 -0.74 -0.15 -1.01 0.00 0.00 0.00 175.76 173.95 3bdm s HIS 127 N -3.53 2.43 0.00 0.00 3.76 -0.83 -4.71 115.29 112.41 3bdm s HIS 127 Ca 0.01 -0.30 0.00 0.00 -0.15 0.00 0.00 55.06 54.62 3bdm s HIS 127 Cb -0.01 -1.11 0.00 0.00 1.11 0.00 0.00 32.58 32.57 3bdm s HIS 127 CO -0.11 0.62 0.00 0.41 -0.85 0.00 0.00 174.74 174.80 3bdm n GLY 128 N -0.37 -1.14 0.20 -2.22 0.00 -1.26 -3.97 105.19 96.43 3bdm n GLY 128 Ca -0.08 -1.24 0.09 0.00 0.00 0.00 0.00 46.02 44.79 3bdm n GLY 128 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3bdm h TYR 129 N 0.00 0.00 -0.98 1.61 0.05 -1.92 -3.33 116.97 112.39 3bdm h TYR 129 Ca 0.00 0.00 0.25 0.00 0.05 0.00 0.00 58.73 59.03 3bdm h TYR 129 Cb 0.00 0.00 -0.18 0.00 1.01 0.00 0.00 36.73 37.56 3bdm h TYR 129 CO 0.00 0.23 -0.06 0.43 -1.05 0.00 0.00 178.16 177.71 3bdm n SER 130 N -3.21 -0.19 -0.35 3.88 7.64 -1.25 0.60 113.62 120.74 3bdm n SER 130 Ca 0.02 1.67 0.16 0.00 1.01 0.00 0.00 58.87 61.73 3bdm n SER 130 Cb 0.56 -0.58 0.36 0.00 -1.01 0.00 0.00 64.21 63.55 3bdm n SER 130 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 3bdm h GLY 131 N 0.00 1.84 0.25 0.23 0.00 -1.79 -1.79 103.07 101.81 3bdm h GLY 131 Ca 0.56 -0.33 0.22 0.00 0.00 0.00 0.00 47.33 47.78 3bdm h GLY 131 CO -0.95 -0.16 0.61 0.74 0.00 0.00 0.00 176.54 176.78 3bdm h PHE 132 N 0.65 0.43 0.00 5.60 0.04 -0.11 -0.79 116.94 122.76 3bdm h PHE 132 Ca 0.62 0.01 0.00 0.00 2.80 0.00 0.00 57.97 61.40 3bdm h PHE 132 Cb 1.10 -0.13 0.00 0.00 2.20 0.00 0.00 35.95 39.12 3bdm h PHE 132 CO -0.01 0.10 -1.51 0.66 -0.60 0.00 0.00 178.31 176.96 3bdm n TYR 133 N -4.47 0.00 -0.03 -0.55 4.01 -0.72 -4.68 117.16 110.73 3bdm n TYR 133 Ca 0.20 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.89 3bdm n TYR 133 Cb 0.77 -0.28 -0.13 0.00 -0.31 0.00 0.00 39.34 39.39 3bdm n TYR 133 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 3bdm n THR 134 N -1.90 1.23 -0.04 -0.72 -2.24 -0.94 -4.21 114.28 105.44 3bdm n THR 134 Ca -0.02 -0.75 0.03 0.00 -2.27 0.00 0.00 64.05 61.04 3bdm n THR 134 Cb 0.35 -0.64 0.38 0.00 -2.10 0.00 0.00 70.33 68.31 3bdm n THR 134 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 3bdm h PHE 135 N 0.00 0.61 -0.03 4.78 0.04 -1.40 -1.34 116.94 119.61 3bdm h PHE 135 Ca -0.30 0.01 -0.20 0.00 2.80 0.00 0.00 57.97 60.28 3bdm h PHE 135 Cb 1.83 -0.20 -0.00 0.00 2.20 0.00 0.00 35.95 39.78 3bdm h PHE 135 CO 0.00 0.40 -0.85 0.66 -0.60 0.00 0.00 178.31 177.92 3bdm h SER 136 N 0.65 0.47 0.56 2.17 4.64 -1.81 0.28 113.55 120.50 3bdm h SER 136 Ca 0.17 -0.35 -0.03 0.00 -0.47 0.00 0.00 61.79 61.12 3bdm h SER 136 Cb -0.04 -0.14 0.01 0.00 -0.31 0.00 0.00 62.40 61.92 3bdm h SER 136 CO -0.03 1.12 -0.27 -0.07 -0.87 0.00 0.00 176.83 176.71 3bdm h LEU 137 N 0.23 -0.63 -0.95 5.97 3.38 -1.57 -1.88 115.31 119.85 3bdm h LEU 137 Ca -0.05 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 3bdm h LEU 137 Cb 1.46 0.16 -0.02 0.00 0.09 0.00 0.00 40.66 42.36 3bdm h LEU 137 CO 0.14 -0.45 -0.07 -0.07 0.09 0.00 0.00 178.44 178.09 3bdm h LEU 138 N -0.75 0.67 -2.17 1.67 3.38 -1.28 0.12 115.31 116.95 3bdm h LEU 138 Ca -0.08 -0.17 0.03 0.00 0.09 0.00 0.00 57.88 57.75 3bdm h LEU 138 Cb 0.57 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 3bdm h LEU 138 CO 0.13 0.78 0.10 0.44 0.09 0.00 0.00 178.44 179.98 3bdm h ASP 139 N 0.64 0.00 0.00 -0.43 3.32 -0.24 -0.42 116.42 119.29 3bdm h ASP 139 Ca 0.12 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 3bdm h ASP 139 Cb 0.50 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.05 3bdm h ASP 139 CO 0.03 0.00 -0.40 -0.74 -1.72 0.00 0.00 179.24 176.41 3bdm h HIS 140 N 0.00 0.00 -0.44 4.55 2.76 -0.47 -3.41 115.15 118.14 3bdm h HIS 140 Ca 0.06 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.23 3bdm h HIS 140 Cb 0.26 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.22 3bdm h HIS 140 CO 0.00 0.08 0.00 0.72 -1.30 0.00 0.00 177.93 177.43 3bdm n HIS 141 N -4.65 1.00 -3.66 5.26 8.25 0.34 -4.96 115.22 116.80 3bdm n HIS 141 Ca -0.06 -0.40 -0.37 0.00 -0.26 0.00 0.00 57.72 56.62 3bdm n HIS 141 Cb 0.22 -0.18 -0.06 0.00 1.12 0.00 0.00 29.99 31.09 3bdm n HIS 141 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 3bdm s TYR 142 N -1.73 3.64 -0.02 4.41 5.04 -0.17 -4.98 117.35 123.54 3bdm s TYR 142 Ca 0.34 0.76 0.00 0.00 -2.44 0.00 0.00 57.07 55.73 3bdm s TYR 142 Cb 0.22 -2.16 0.02 0.00 0.35 0.00 0.00 41.96 40.40 3bdm s TYR 142 CO 0.17 0.63 0.02 1.03 -1.34 0.00 0.00 175.55 176.06 3bdm s ARG 143 N -0.86 0.02 0.55 4.97 1.81 -1.26 -5.01 118.95 119.17 3bdm s ARG 143 Ca 0.19 0.14 0.24 0.00 -1.72 0.00 0.00 55.73 54.58 3bdm s ARG 143 Cb -0.14 -0.25 1.45 0.00 -0.45 0.00 0.00 34.95 35.56 3bdm s ARG 143 CO 0.08 -0.13 2.07 -1.35 -0.68 0.00 0.00 175.30 175.29 3bdm h PRO 144 N 7.09 0.00 -0.41 3.54 0.11 -1.95 -2.43 132.00 137.94 3bdm h PRO 144 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3bdm h PRO 144 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3bdm h PRO 144 CO 0.48 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.87 3bdm n ASP 145 N -4.24 2.83 -4.60 -2.05 3.85 -1.26 -2.97 116.55 108.10 3bdm n ASP 145 Ca 0.04 -1.93 -0.36 0.00 -0.71 0.00 0.00 54.79 51.83 3bdm n ASP 145 Cb 0.38 -0.27 0.08 0.00 -1.35 0.00 0.00 41.12 39.96 3bdm n ASP 145 CO 0.00 0.00 0.00 0.23 -1.01 0.00 0.00 177.20 176.42 3bdm n MET 146 N 1.06 0.50 -2.52 0.11 2.81 -0.92 -4.62 117.12 113.54 3bdm n MET 146 Ca 0.18 0.23 -0.23 0.00 -1.81 0.00 0.00 57.70 56.07 3bdm n MET 146 Cb 0.48 -2.18 0.04 0.00 -0.71 0.00 0.00 33.22 30.85 3bdm n MET 146 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 3bdm s THR 147 N -1.81 2.62 0.40 2.03 -4.23 -1.26 -1.46 115.64 111.93 3bdm s THR 147 Ca 0.73 -0.53 0.07 0.00 -1.18 0.00 0.00 61.69 60.78 3bdm s THR 147 Cb -0.35 -3.03 0.27 0.00 1.34 0.00 0.00 72.50 70.74 3bdm s THR 147 CO 0.51 -0.02 2.03 0.74 -0.54 0.00 0.00 174.62 177.34 3bdm h THR 148 N -0.12 1.09 -0.10 3.99 2.02 -1.96 0.27 112.91 118.09 3bdm h THR 148 Ca -0.43 -0.21 -0.03 0.00 0.77 0.00 0.00 66.41 66.51 3bdm h THR 148 Cb 1.30 0.41 -0.00 0.00 -1.74 0.00 0.00 68.15 68.12 3bdm h THR 148 CO 0.55 0.11 -0.03 -0.08 0.37 0.00 0.00 175.52 176.44 3bdm h GLU 149 N 0.62 0.21 -0.64 6.66 4.57 -1.99 0.12 114.58 124.14 3bdm h GLU 149 Ca 0.20 -0.08 0.04 0.00 -1.18 0.00 0.00 59.36 58.33 3bdm h GLU 149 Cb 0.03 -0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 28.56 3bdm h GLU 149 CO -0.05 0.53 0.38 0.93 -1.18 0.00 0.00 179.01 179.63 3bdm h GLU 150 N -0.13 0.72 -0.50 1.92 5.08 -1.71 -1.90 114.58 118.06 3bdm h GLU 150 Ca 0.03 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 3bdm h GLU 150 Cb 0.46 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 3bdm h GLU 150 CO 0.01 0.48 0.24 0.78 -1.00 0.00 0.00 179.01 179.52 3bdm h GLY 151 N 0.74 0.77 2.00 -3.84 0.00 -0.32 -1.46 103.07 100.97 3bdm h GLY 151 Ca 0.27 -0.38 -0.01 0.00 0.00 0.00 0.00 47.33 47.21 3bdm h GLY 151 CO -0.12 0.36 -0.03 1.41 0.00 0.00 0.00 176.54 178.16 3bdm h LEU 152 N 0.67 0.00 0.09 3.11 3.38 -0.04 -1.20 115.31 121.32 3bdm h LEU 152 Ca 0.17 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.02 3bdm h LEU 152 Cb 0.11 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.88 3bdm h LEU 152 CO -0.02 0.03 -0.54 0.44 0.09 0.00 0.00 178.44 178.43 3bdm h ASP 153 N 0.00 0.30 -0.93 -0.43 3.45 -0.62 -2.51 116.42 115.68 3bdm h ASP 153 Ca -0.00 -0.97 0.18 0.00 0.43 0.00 0.00 57.03 56.67 3bdm h ASP 153 Cb 0.10 -0.10 -0.08 0.00 -0.56 0.00 0.00 39.33 38.69 3bdm h ASP 153 CO 0.00 1.26 0.60 0.25 -1.57 0.00 0.00 179.24 179.78 3bdm h LEU 154 N -0.59 0.61 0.17 1.55 5.85 -0.70 0.43 115.31 122.62 3bdm h LEU 154 Ca -0.10 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 3bdm h LEU 154 Cb 1.42 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.39 3bdm h LEU 154 CO 0.10 0.26 -0.08 0.25 -0.34 0.00 0.00 178.44 178.63 3bdm h LEU 155 N 0.62 -0.19 -1.48 2.25 6.46 -1.25 -2.12 115.31 119.60 3bdm h LEU 155 Ca 0.50 -0.20 0.17 0.00 -0.12 0.00 0.00 57.88 58.22 3bdm h LEU 155 Cb 0.93 0.05 -0.06 0.00 -0.73 0.00 0.00 40.66 40.85 3bdm h LEU 155 CO -0.25 0.10 0.55 0.50 -0.62 0.00 0.00 178.44 178.73 3bdm h LYS 156 N -0.49 0.47 -0.20 1.25 3.64 -0.61 0.21 116.57 120.83 3bdm h LYS 156 Ca -0.02 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3bdm h LYS 156 Cb 0.38 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 3bdm h LYS 156 CO 0.04 0.31 0.12 1.25 -2.27 0.00 0.00 179.45 178.90 3bdm h LEU 157 N 0.48 0.25 0.05 5.20 5.85 -0.61 -1.47 115.31 125.06 3bdm h LEU 157 Ca 0.43 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 59.08 3bdm h LEU 157 Cb 0.93 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.90 3bdm h LEU 157 CO -0.16 0.24 -0.02 0.00 -0.34 0.00 0.00 178.44 178.15 3bdm h VAL 159 N -0.20 0.74 -0.08 0.00 2.07 -0.78 -0.83 116.25 117.17 3bdm h VAL 159 Ca -0.01 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.43 3bdm h VAL 159 Cb 0.18 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 3bdm h VAL 159 CO 0.01 0.00 -0.29 1.56 0.02 0.00 0.00 177.57 178.87 3bdm h GLN 160 N 0.00 0.34 -0.94 1.57 4.20 -0.77 -2.04 115.11 117.46 3bdm h GLN 160 Ca 0.14 -0.25 -0.00 0.00 0.06 0.00 0.00 58.65 58.59 3bdm h GLN 160 Cb 0.60 0.05 -0.05 0.00 0.30 0.00 0.00 27.48 28.38 3bdm h GLN 160 CO -0.00 0.88 0.57 1.49 -0.67 0.00 0.00 178.83 181.11 3bdm h GLU 161 N -0.14 1.27 -0.45 1.46 4.57 -0.80 -1.68 114.58 118.81 3bdm h GLU 161 Ca -0.01 -0.11 -0.06 0.00 -1.18 0.00 0.00 59.36 57.99 3bdm h GLU 161 Cb 0.92 -0.27 -0.02 0.00 -0.16 0.00 0.00 28.75 29.22 3bdm h GLU 161 CO 0.06 0.88 0.02 -0.07 -1.18 0.00 0.00 179.01 178.72 3bdm h LEU 162 N 1.29 0.68 -0.49 1.64 3.38 -1.14 -0.43 115.31 120.24 3bdm h LEU 162 Ca 0.34 -0.15 -0.09 0.00 0.09 0.00 0.00 57.88 58.07 3bdm h LEU 162 Cb -0.07 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 3bdm h LEU 162 CO -0.06 0.74 -0.42 -0.33 0.09 0.00 0.00 178.44 178.45 3bdm h GLU 163 N 0.68 0.00 0.04 1.13 5.08 -0.89 -1.75 114.58 118.87 3bdm h GLU 163 Ca 0.14 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3bdm h GLU 163 Cb 0.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.64 3bdm h GLU 163 CO 0.01 0.42 -0.02 -0.22 -1.00 0.00 0.00 179.01 178.21 3bdm h LYS 164 N 0.00 -0.05 0.00 2.33 3.64 -0.73 -3.40 116.57 118.37 3bdm h LYS 164 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3bdm h LYS 164 Cb 1.13 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 3bdm h LYS 164 CO 0.06 0.61 -1.22 0.54 -2.27 0.00 0.00 179.45 177.16 3bdm n ARG 165 N -4.75 0.30 -2.99 1.90 5.12 -0.22 -4.95 116.66 111.07 3bdm n ARG 165 Ca -0.08 -0.04 -0.40 0.00 -1.93 0.00 0.00 57.85 55.40 3bdm n ARG 165 Cb 0.33 -1.56 -0.05 0.00 -1.16 0.00 0.00 32.46 30.03 3bdm n ARG 165 CO 0.00 0.00 0.00 -1.64 -1.93 0.00 0.00 177.63 174.06 3bdm s MET 166 N -3.22 4.47 0.18 5.56 -1.94 -0.66 -4.97 119.30 118.72 3bdm s MET 166 Ca 0.02 1.02 -0.16 0.00 -1.71 0.00 0.00 55.69 54.86 3bdm s MET 166 Cb 0.15 -3.40 0.14 0.00 2.01 0.00 0.00 34.83 33.73 3bdm s MET 166 CO 0.84 0.18 1.66 -1.35 -0.01 0.00 0.00 175.02 176.34 3bdm h PRO 167 N 6.17 0.02 -7.05 2.03 0.11 -1.92 -3.44 132.00 127.92 3bdm h PRO 167 Ca -0.43 -0.00 -0.44 0.00 0.11 0.00 0.00 66.00 65.24 3bdm h PRO 167 Cb 1.20 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 3bdm h PRO 167 CO 0.73 0.01 0.33 -1.64 -0.21 0.00 0.00 178.00 177.22 3bdm s MET 168 N -6.21 4.22 -0.55 1.05 -1.94 -1.26 -5.02 119.30 109.58 3bdm s MET 168 Ca -0.14 1.10 -0.18 0.00 -1.71 0.00 0.00 55.69 54.76 3bdm s MET 168 Cb 0.16 -2.19 0.09 0.00 2.01 0.00 0.00 34.83 34.90 3bdm s MET 168 CO 0.72 -0.02 0.63 0.34 -0.01 0.00 0.00 175.02 176.68 3bdm s ASP 169 N -2.19 6.19 0.00 3.03 2.15 -1.26 -4.91 116.67 119.68 3bdm s ASP 169 Ca 0.62 -1.31 0.12 0.00 0.43 0.00 0.00 52.55 52.41 3bdm s ASP 169 Cb -0.09 -2.28 0.38 0.00 -0.30 0.00 0.00 42.92 40.63 3bdm s ASP 169 CO 0.13 -0.98 1.30 2.22 -0.17 0.00 0.00 175.17 177.67 3bdm n PHE 170 N 6.07 0.44 -3.33 -5.34 1.16 -1.26 -4.90 117.46 110.31 3bdm n PHE 170 Ca -0.09 -0.22 -0.24 0.00 -1.87 0.00 0.00 57.45 55.03 3bdm n PHE 170 Cb 0.43 0.00 0.04 0.00 -1.61 0.00 0.00 39.48 38.34 3bdm n PHE 170 CO 0.00 0.00 0.00 1.63 -1.87 0.00 0.00 176.76 176.52 3bdm n LYS 171 N 0.52 -5.30 -0.35 3.97 4.76 -1.26 -1.65 118.16 118.85 3bdm n LYS 171 Ca 0.13 0.77 0.05 0.00 -2.87 0.00 0.00 58.31 56.38 3bdm n LYS 171 Cb 0.31 -5.64 -0.01 0.00 -1.84 0.00 0.00 35.03 27.84 3bdm n LYS 171 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3bdm n GLY 172 N -1.58 -2.18 3.42 0.72 0.00 -1.26 -4.32 105.19 100.00 3bdm n GLY 172 Ca -0.05 -1.45 -0.21 0.00 0.00 0.00 0.00 46.02 44.31 3bdm n GLY 172 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3bdm s VAL 173 N -1.29 1.77 -0.14 1.61 -7.23 -1.26 -1.16 120.40 112.70 3bdm s VAL 173 Ca 0.00 -2.17 -0.01 0.00 -1.81 0.00 0.00 61.98 57.99 3bdm s VAL 173 Cb 0.00 -2.37 -0.02 0.00 0.56 0.00 0.00 36.38 34.55 3bdm s VAL 173 CO 0.00 -0.36 -0.10 -0.63 -0.31 0.00 0.00 175.10 173.70 3bdm s ILE 174 N -2.94 3.37 0.14 -0.62 1.01 -0.47 -4.87 121.20 116.82 3bdm s ILE 174 Ca 0.28 -0.55 0.06 0.00 0.00 0.00 0.00 60.65 60.45 3bdm s ILE 174 Cb 0.02 -2.44 -0.04 0.00 0.01 0.00 0.00 42.46 40.01 3bdm s ILE 174 CO 0.11 0.51 -0.01 -0.69 0.00 0.00 0.00 174.94 174.86 3bdm s VAL 175 N 0.33 3.76 -0.05 2.92 1.01 -1.26 -1.47 120.40 125.64 3bdm s VAL 175 Ca -0.08 -1.27 -0.10 0.00 0.00 0.00 0.00 61.98 60.54 3bdm s VAL 175 Cb -0.15 -2.84 0.02 0.00 0.00 0.00 0.00 36.38 33.40 3bdm s VAL 175 CO 0.05 -0.01 0.23 -0.54 0.00 0.00 0.00 175.10 174.83 3bdm s LYS 176 N -2.64 0.42 -0.01 2.72 1.02 -0.65 -2.53 119.74 118.08 3bdm s LYS 176 Ca 0.26 0.04 0.06 0.00 0.02 0.00 0.00 55.97 56.34 3bdm s LYS 176 Cb -0.10 0.19 -0.03 0.00 -0.52 0.00 0.00 37.83 37.37 3bdm s LYS 176 CO 0.18 -0.09 -0.17 0.42 -0.92 0.00 0.00 175.35 174.76 3bdm s ILE 177 N -0.58 2.81 -0.09 2.17 -1.09 0.63 -1.49 121.20 123.56 3bdm s ILE 177 Ca -0.07 -0.97 0.02 0.00 -2.23 0.00 0.00 60.65 57.40 3bdm s ILE 177 Cb -0.04 -2.12 0.01 0.00 -1.58 0.00 0.00 42.46 38.74 3bdm s ILE 177 CO 0.02 0.48 -0.14 -0.69 -1.23 0.00 0.00 174.94 173.38 3bdm s VAL 178 N -0.80 1.34 0.07 2.92 1.01 -0.40 -1.72 120.40 122.82 3bdm s VAL 178 Ca 0.13 -0.56 -0.02 0.00 0.00 0.00 0.00 61.98 61.53 3bdm s VAL 178 Cb -0.10 -1.23 0.01 0.00 0.00 0.00 0.00 36.38 35.05 3bdm s VAL 178 CO 0.02 0.41 0.12 -0.90 0.00 0.00 0.00 175.10 174.75 3bdm n ASP 179 N 4.11 -0.35 -0.28 3.32 5.68 -0.14 -1.30 116.55 127.59 3bdm n ASP 179 Ca -0.20 -1.34 0.30 0.00 -0.50 0.00 0.00 54.79 53.06 3bdm n ASP 179 Cb 0.51 0.61 0.69 0.00 -1.14 0.00 0.00 41.12 41.79 3bdm n ASP 179 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 3bdm h LYS 180 N 0.00 0.09 -0.02 0.11 2.10 -1.92 0.32 116.57 117.25 3bdm h LYS 180 Ca -0.06 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.59 3bdm h LYS 180 Cb 0.23 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.54 3bdm h LYS 180 CO 0.08 0.06 -0.04 -0.25 -2.00 0.00 0.00 179.45 177.30 3bdm n ASP 181 N -4.31 1.84 0.00 7.07 8.00 -1.26 -5.06 116.55 122.83 3bdm n ASP 181 Ca 0.23 -1.56 0.00 0.00 0.71 0.00 0.00 54.79 54.17 3bdm n ASP 181 Cb 1.07 0.03 0.00 0.00 -0.02 0.00 0.00 41.12 42.20 3bdm n ASP 181 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3bdm n GLY 183 N 1.24 0.24 3.24 0.44 0.00 0.11 -5.01 105.19 105.46 3bdm n GLY 183 Ca 0.17 -2.07 -0.33 0.00 0.00 0.00 0.00 46.02 43.79 3bdm n GLY 183 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3bdm s ILE 184 N 0.00 2.56 0.05 -0.61 1.01 -1.24 -0.97 121.20 122.00 3bdm s ILE 184 Ca 0.00 -0.80 0.02 0.00 0.00 0.00 0.00 60.65 59.86 3bdm s ILE 184 Cb 0.00 -2.08 -0.03 0.00 0.01 0.00 0.00 42.46 40.37 3bdm s ILE 184 CO 0.00 0.52 -0.07 0.00 0.00 0.00 0.00 174.94 175.39 3bdm s ARG 185 N 0.86 0.55 -0.13 2.79 1.70 -0.70 -4.99 118.95 119.03 3bdm s ARG 185 Ca -0.05 -0.84 -0.05 0.00 -0.47 0.00 0.00 55.73 54.32 3bdm s ARG 185 Cb -0.15 -0.22 -0.04 0.00 -0.57 0.00 0.00 34.95 33.97 3bdm s ARG 185 CO -0.01 0.02 0.04 -1.14 -1.08 0.00 0.00 175.30 173.14 3bdm s GLN 186 N -1.97 3.44 -1.18 3.89 0.74 -1.26 -0.27 119.66 123.05 3bdm s GLN 186 Ca -0.07 -0.35 -0.17 0.00 0.05 0.00 0.00 55.36 54.82 3bdm s GLN 186 Cb -0.07 -3.01 0.11 0.00 1.10 0.00 0.00 33.01 31.14 3bdm s GLN 186 CO -0.01 0.55 1.51 0.08 -0.55 0.00 0.00 175.29 176.87 3bdm s VAL 187 N -0.42 4.49 -2.00 1.34 1.01 -1.05 -4.84 120.40 118.94 3bdm s VAL 187 Ca 0.09 -1.97 0.03 0.00 0.00 0.00 0.00 61.98 60.14 3bdm s VAL 187 Cb -0.12 -5.02 0.10 0.00 0.00 0.00 0.00 36.38 31.33 3bdm s VAL 187 CO 0.02 -1.80 0.54 -0.90 0.00 0.00 0.00 175.10 172.96 3bdm n ASP 188 N 7.25 0.00 -3.43 3.32 3.85 -1.26 -3.77 116.55 122.50 3bdm n ASP 188 Ca 0.39 -0.36 -0.26 0.00 -0.71 0.00 0.00 54.79 53.85 3bdm n ASP 188 Cb 0.46 0.00 -0.09 0.00 -1.35 0.00 0.00 41.12 40.14 3bdm n ASP 188 CO 0.00 0.00 0.00 -0.90 -1.01 0.00 0.00 177.20 175.29 3bdm n ASP 189 N -0.73 1.23 0.00 -1.12 5.75 -1.26 -4.77 116.55 115.65 3bdm n ASP 189 Ca 0.03 -2.84 0.00 0.00 -0.01 0.00 0.00 54.79 51.96 3bdm n ASP 189 Cb 0.01 -0.64 0.00 0.00 -1.03 0.00 0.00 41.12 39.46 3bdm n ASP 189 CO 0.00 0.00 0.00 0.33 -0.11 0.00 0.00 177.20 177.42 3bdm n PHE 190 N 1.84 0.00 0.43 2.11 -0.00 -1.25 -4.13 117.46 116.46 3bdm n PHE 190 Ca 0.25 0.00 0.02 0.00 -0.00 0.00 0.00 57.45 57.72 3bdm n PHE 190 Cb 0.46 0.00 0.11 0.00 -0.00 0.00 0.00 39.48 40.05 3bdm n PHE 190 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 3bdm n GLN 191 N -0.69 0.22 0.00 -4.13 3.00 -1.26 -3.00 117.38 111.51 3bdm n GLN 191 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3bdm n GLN 191 Cb 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 30.24 28.97 3bdm n GLN 191 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3bdm n ALA 192 N -0.77 0.00 0.89 -1.58 0.00 -1.26 -5.19 120.51 112.60 3bdm n ALA 192 Ca 0.03 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.58 3bdm n ALA 192 Cb 0.01 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.55 3bdm n ALA 192 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44