#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d85 s ILE 2 N 0.00 4.84 -0.21 0.53 1.01 -1.26 -5.01 121.20 121.10 3d85 s ILE 2 Ca 0.00 2.05 -0.12 0.00 0.00 0.00 0.00 60.65 62.58 3d85 s ILE 2 Cb 0.00 -4.32 -0.05 0.00 0.01 0.00 0.00 42.46 38.11 3d85 s ILE 2 CO 0.00 0.11 0.24 -0.69 0.00 0.00 0.00 174.94 174.60 3d85 s VAL 3 N 1.35 5.32 -0.27 2.92 1.01 -1.26 -4.76 120.40 124.71 3d85 s VAL 3 Ca 0.51 0.38 -0.10 0.00 0.00 0.00 0.00 61.98 62.76 3d85 s VAL 3 Cb -0.20 -3.58 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 3d85 s VAL 3 CO 0.25 0.34 0.15 -0.04 0.00 0.00 0.00 175.10 175.80 3d85 s MET 4 N 0.92 3.88 -0.16 2.72 1.00 -1.26 -1.21 119.30 125.19 3d85 s MET 4 Ca 0.12 -0.36 -0.03 0.00 0.00 0.00 0.00 55.69 55.42 3d85 s MET 4 Cb -0.13 -3.55 -0.02 0.00 0.00 0.00 0.00 34.83 31.12 3d85 s MET 4 CO 0.04 -0.16 -0.05 0.99 0.00 0.00 0.00 175.02 175.85 3d85 s THR 5 N 1.65 3.73 0.08 2.05 2.01 0.11 -4.18 115.64 121.08 3d85 s THR 5 Ca 0.07 -0.41 0.06 0.00 0.31 0.00 0.00 61.69 61.72 3d85 s THR 5 Cb -0.16 -2.63 -0.04 0.00 0.01 0.00 0.00 72.50 69.68 3d85 s THR 5 CO 0.08 0.49 -0.10 -1.10 -0.69 0.00 0.00 174.62 173.30 3d85 s GLN 6 N 0.50 2.21 -0.08 4.92 -0.21 -1.26 -0.08 119.66 125.65 3d85 s GLN 6 Ca -0.04 -0.96 -0.17 0.00 0.02 0.00 0.00 55.36 54.21 3d85 s GLN 6 Cb -0.14 -2.33 0.04 0.00 1.00 0.00 0.00 33.01 31.57 3d85 s GLN 6 CO 0.03 0.53 0.40 -1.54 -2.12 0.00 0.00 175.29 172.59 3d85 s SER 7 N -1.97 -0.36 0.74 5.90 1.04 -0.92 -4.59 113.70 113.54 3d85 s SER 7 Ca 0.20 0.49 -0.09 0.00 0.48 0.00 0.00 55.95 57.03 3d85 s SER 7 Cb -0.11 0.58 0.06 0.00 0.10 0.00 0.00 66.02 66.65 3d85 s SER 7 CO 0.12 -0.34 1.07 -2.16 0.98 0.00 0.00 173.24 172.91 3d85 s PRO 8 N -0.64 2.16 0.23 4.02 0.04 -1.26 -1.80 135.00 137.74 3d85 s PRO 8 Ca -0.07 -0.09 -0.01 0.00 0.04 0.00 0.00 61.00 60.87 3d85 s PRO 8 Cb -0.04 -2.09 0.25 0.00 0.04 0.00 0.00 34.50 32.67 3d85 s PRO 8 CO 0.03 -1.35 1.62 0.00 0.04 0.00 0.00 177.00 177.35 3d85 h ALA 9 N -0.76 0.90 -3.16 8.56 0.00 -1.84 -3.41 119.26 119.56 3d85 h ALA 9 Ca -0.45 -0.42 -0.27 0.00 0.00 0.00 0.00 54.91 53.77 3d85 h ALA 9 Cb 1.32 -0.11 -0.21 0.00 0.00 0.00 0.00 17.79 18.78 3d85 h ALA 9 CO 0.63 0.63 -0.73 0.99 0.00 0.00 0.00 179.25 180.76 3d85 s THR 10 N -4.32 0.54 -0.06 0.00 2.01 -1.26 -0.86 115.64 111.68 3d85 s THR 10 Ca -0.07 -1.08 -0.03 0.00 0.31 0.00 0.00 61.69 60.81 3d85 s THR 10 Cb 0.13 -0.61 0.03 0.00 0.01 0.00 0.00 72.50 72.05 3d85 s THR 10 CO 0.82 -0.39 0.14 -0.22 -0.69 0.00 0.00 174.62 174.29 3d85 s LEU 11 N -1.59 0.95 -0.15 4.42 2.96 -0.62 -4.91 118.68 119.73 3d85 s LEU 11 Ca -0.10 0.29 0.02 0.00 -0.22 0.00 0.00 54.13 54.12 3d85 s LEU 11 Cb -0.10 0.40 0.01 0.00 0.50 0.00 0.00 46.19 47.00 3d85 s LEU 11 CO 0.00 -0.12 -0.21 -0.55 -1.32 0.00 0.00 176.35 174.16 3d85 s SER 12 N 0.84 3.08 0.08 3.68 0.15 -1.26 -0.47 113.70 119.81 3d85 s SER 12 Ca -0.06 -0.61 0.04 0.00 0.70 0.00 0.00 55.95 56.01 3d85 s SER 12 Cb -0.08 -1.44 -0.03 0.00 -1.71 0.00 0.00 66.02 62.76 3d85 s SER 12 CO -0.04 0.04 -0.10 0.68 1.20 0.00 0.00 173.24 175.02 3d85 s VAL 13 N 1.02 0.89 -0.05 4.45 -7.23 -0.11 -4.90 120.40 114.47 3d85 s VAL 13 Ca -0.02 -1.51 -0.18 0.00 -1.81 0.00 0.00 61.98 58.46 3d85 s VAL 13 Cb -0.14 -1.21 -0.05 0.00 0.56 0.00 0.00 36.38 35.54 3d85 s VAL 13 CO -0.06 -0.50 0.48 -0.89 -0.31 0.00 0.00 175.10 173.83 3d85 s THR 14 N -2.15 5.06 0.54 5.32 2.01 -1.26 0.64 115.64 125.79 3d85 s THR 14 Ca 0.02 0.99 -0.22 0.00 0.31 0.00 0.00 61.69 62.79 3d85 s THR 14 Cb -0.05 -3.81 -0.05 0.00 0.01 0.00 0.00 72.50 68.60 3d85 s THR 14 CO 0.00 0.43 1.31 -2.65 -0.69 0.00 0.00 174.62 173.02 3d85 n PRO 15 N 2.85 1.63 0.00 4.92 -0.02 -1.26 -1.64 135.00 141.48 3d85 n PRO 15 Ca -0.09 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 3d85 n PRO 15 Cb 0.52 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 3d85 n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3d85 n GLY 16 N 0.82 3.23 3.80 -1.23 0.00 0.28 -4.94 105.19 107.14 3d85 n GLY 16 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 3d85 n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3d85 s ASP 17 N -0.21 4.97 0.10 1.61 -0.00 -0.65 -4.42 116.67 118.07 3d85 s ASP 17 Ca 0.00 1.63 -0.13 0.00 -0.00 0.00 0.00 52.55 54.05 3d85 s ASP 17 Cb 0.00 -2.44 -0.06 0.00 -0.00 0.00 0.00 42.92 40.42 3d85 s ASP 17 CO 0.00 -1.71 0.48 -0.60 -0.00 0.00 0.00 175.17 173.35 3d85 s ARG 18 N -5.01 3.92 0.02 8.23 3.52 -1.21 -0.38 118.95 128.04 3d85 s ARG 18 Ca 0.59 0.41 0.04 0.00 -0.13 0.00 0.00 55.73 56.64 3d85 s ARG 18 Cb -0.15 -3.03 -0.02 0.00 -1.56 0.00 0.00 34.95 30.20 3d85 s ARG 18 CO 0.55 0.55 -0.12 0.08 -0.81 0.00 0.00 175.30 175.56 3d85 s VAL 19 N -1.35 0.94 -0.09 7.11 1.01 -0.27 -4.96 120.40 122.79 3d85 s VAL 19 Ca 0.33 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.56 3d85 s VAL 19 Cb -0.15 -0.84 0.02 0.00 0.00 0.00 0.00 36.38 35.41 3d85 s VAL 19 CO 0.18 0.08 -0.09 -0.44 0.00 0.00 0.00 175.10 174.82 3d85 s SER 20 N -0.77 1.93 -0.08 3.32 0.01 -1.26 -0.66 113.70 116.19 3d85 s SER 20 Ca 0.02 -0.29 0.03 0.00 1.31 0.00 0.00 55.95 57.02 3d85 s SER 20 Cb -0.06 -0.81 -0.02 0.00 0.21 0.00 0.00 66.02 65.34 3d85 s SER 20 CO 0.00 -0.05 -0.17 -0.76 0.41 0.00 0.00 173.24 172.67 3d85 s LEU 21 N 1.24 2.53 0.11 2.44 1.43 0.07 -4.88 118.68 121.61 3d85 s LEU 21 Ca -0.04 -0.34 0.03 0.00 -1.03 0.00 0.00 54.13 52.75 3d85 s LEU 21 Cb -0.14 -1.52 -0.04 0.00 0.03 0.00 0.00 46.19 44.52 3d85 s LEU 21 CO -0.03 0.25 0.15 -0.44 0.23 0.00 0.00 176.35 176.51 3d85 s SER 22 N -0.18 5.81 -0.11 2.29 0.01 -0.75 -1.07 113.70 119.70 3d85 s SER 22 Ca -0.01 0.04 -0.06 0.00 1.31 0.00 0.00 55.95 57.23 3d85 s SER 22 Cb -0.13 -1.63 0.05 0.00 0.21 0.00 0.00 66.02 64.52 3d85 s SER 22 CO 0.03 0.13 0.27 0.00 0.41 0.00 0.00 173.24 174.08 3d85 s ARG 24 N 1.32 1.54 0.01 0.00 0.52 0.88 -0.53 118.95 122.69 3d85 s ARG 24 Ca -0.09 -0.69 -0.02 0.00 -0.52 0.00 0.00 55.73 54.41 3d85 s ARG 24 Cb -0.10 -1.50 -0.04 0.00 0.52 0.00 0.00 34.95 33.83 3d85 s ARG 24 CO -0.09 0.41 0.17 0.00 0.02 0.00 0.00 175.30 175.81 3d85 s ALA 25 N -0.46 3.91 -0.89 2.13 0.00 -0.16 0.08 121.76 126.37 3d85 s ALA 25 Ca 0.07 -0.80 0.21 0.00 0.00 0.00 0.00 51.96 51.45 3d85 s ALA 25 Cb -0.07 -1.82 0.88 0.00 0.00 0.00 0.00 23.12 22.10 3d85 s ALA 25 CO -0.01 0.75 1.67 -1.13 0.00 0.00 0.00 175.76 177.05 3d85 n SER 26 N 0.85 0.19 -3.85 0.00 3.41 -0.35 -4.72 113.62 109.15 3d85 n SER 26 Ca -0.10 0.53 -0.10 0.00 -0.26 0.00 0.00 58.87 58.94 3d85 n SER 26 Cb 0.52 -0.58 -0.08 0.00 -0.26 0.00 0.00 64.21 63.81 3d85 n SER 26 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3d85 s GLN 27 N -3.06 0.72 0.23 4.33 -0.21 -1.26 -4.95 119.66 115.45 3d85 s GLN 27 Ca 0.09 -0.71 -0.30 0.00 0.02 0.00 0.00 55.36 54.46 3d85 s GLN 27 Cb 0.13 0.29 -0.10 0.00 1.00 0.00 0.00 33.01 34.33 3d85 s GLN 27 CO 0.40 -0.21 1.42 0.45 -2.12 0.00 0.00 175.29 175.22 3d85 s SER 28 N -2.25 6.71 -0.08 5.90 0.15 -1.26 -4.73 113.70 118.13 3d85 s SER 28 Ca -0.03 2.59 0.12 0.00 0.70 0.00 0.00 55.95 59.33 3d85 s SER 28 Cb 0.00 -2.62 0.20 0.00 -1.71 0.00 0.00 66.02 61.90 3d85 s SER 28 CO -0.05 -0.67 1.10 2.30 1.20 0.00 0.00 173.24 177.12 3d85 n ILE 29 N 2.57 1.12 0.00 6.45 -5.35 -0.14 -4.99 119.36 119.03 3d85 n ILE 29 Ca 0.07 -1.44 0.00 0.00 -0.27 0.00 0.00 62.75 61.11 3d85 n ILE 29 Cb 0.41 0.09 0.00 0.00 -1.74 0.00 0.00 39.64 38.40 3d85 n ILE 29 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 3d85 n SER 30 N -0.79 0.00 -1.18 7.28 2.88 -1.25 -0.88 113.62 119.69 3d85 n SER 30 Ca 0.10 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.62 3d85 n SER 30 Cb 0.69 0.00 0.22 0.00 -0.75 0.00 0.00 64.21 64.37 3d85 n SER 30 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 3d85 n ASP 31 N 4.23 3.13 -3.97 -3.46 3.85 -1.26 0.59 116.55 119.65 3d85 n ASP 31 Ca 0.00 -3.49 -0.43 0.00 -0.71 0.00 0.00 54.79 50.17 3d85 n ASP 31 Cb 0.00 -0.62 0.00 0.00 -1.35 0.00 0.00 41.12 39.15 3d85 n ASP 31 CO 0.00 0.00 0.00 -1.22 -1.01 0.00 0.00 177.20 174.97 3d85 n TYR 32 N -0.89 3.17 -3.73 2.11 4.01 -0.05 -3.14 117.16 118.63 3d85 n TYR 32 Ca 0.32 -2.86 -0.15 0.00 -0.16 0.00 0.00 57.90 55.04 3d85 n TYR 32 Cb 1.05 -1.88 -0.15 0.00 -0.31 0.00 0.00 39.34 38.05 3d85 n TYR 32 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 3d85 s LEU 33 N -0.30 0.56 0.20 7.72 1.98 -1.26 -1.15 118.68 126.43 3d85 s LEU 33 Ca 0.39 0.26 0.11 0.00 -2.89 0.00 0.00 54.13 51.99 3d85 s LEU 33 Cb 0.07 0.25 -0.04 0.00 0.66 0.00 0.00 46.19 47.12 3d85 s LEU 33 CO 0.02 -0.17 -0.21 -1.00 -1.89 0.00 0.00 176.35 173.09 3d85 s HIS 34 N 1.47 2.36 0.05 5.38 3.76 -0.58 0.89 115.29 128.62 3d85 s HIS 34 Ca -0.06 -0.33 0.09 0.00 -0.15 0.00 0.00 55.06 54.61 3d85 s HIS 34 Cb -0.12 -1.15 -0.03 0.00 1.11 0.00 0.00 32.58 32.39 3d85 s HIS 34 CO -0.05 0.52 -0.25 -1.58 -0.85 0.00 0.00 174.74 172.53 3d85 s TRP 35 N -1.75 2.20 0.13 1.40 0.52 -0.49 -0.41 118.94 120.52 3d85 s TRP 35 Ca 0.22 -0.40 0.02 0.00 0.02 0.00 0.00 56.10 55.96 3d85 s TRP 35 Cb -0.08 -1.31 -0.04 0.00 -1.15 0.00 0.00 33.47 30.89 3d85 s TRP 35 CO 0.11 0.12 -0.05 0.71 0.02 0.00 0.00 176.95 177.86 3d85 s TYR 36 N -0.81 1.04 -0.02 -1.98 1.51 0.31 -0.56 117.35 116.84 3d85 s TYR 36 Ca 0.11 -0.91 0.06 0.00 -1.01 0.00 0.00 57.07 55.31 3d85 s TYR 36 Cb -0.10 -0.58 -0.01 0.00 -0.11 0.00 0.00 41.96 41.16 3d85 s TYR 36 CO 0.02 -0.13 -0.20 0.50 -1.11 0.00 0.00 175.55 174.63 3d85 s ARG 37 N -3.84 1.68 -0.17 -0.62 3.52 -0.39 -1.06 118.95 118.07 3d85 s ARG 37 Ca 0.16 -0.73 0.01 0.00 -0.13 0.00 0.00 55.73 55.04 3d85 s ARG 37 Cb 0.05 -1.61 0.03 0.00 -1.56 0.00 0.00 34.95 31.86 3d85 s ARG 37 CO -0.02 0.43 -0.12 -1.14 -0.81 0.00 0.00 175.30 173.64 3d85 s GLN 38 N -0.44 2.18 0.39 5.12 0.74 0.13 -0.50 119.66 127.28 3d85 s GLN 38 Ca 0.07 -0.68 0.00 0.00 0.05 0.00 0.00 55.36 54.80 3d85 s GLN 38 Cb -0.08 -2.24 -0.02 0.00 1.10 0.00 0.00 33.01 31.76 3d85 s GLN 38 CO -0.01 -0.32 0.61 0.15 -0.55 0.00 0.00 175.29 175.17 3d85 s LYS 39 N 1.45 3.34 0.12 1.67 1.02 -1.26 -1.59 119.74 124.48 3d85 s LYS 39 Ca 0.02 -0.36 -0.36 0.00 0.02 0.00 0.00 55.97 55.30 3d85 s LYS 39 Cb -0.14 -2.61 -0.16 0.00 -0.52 0.00 0.00 37.83 34.40 3d85 s LYS 39 CO -0.10 -0.03 1.40 0.43 -0.92 0.00 0.00 175.35 176.13 3d85 n SER 40 N -1.92 2.05 -0.38 2.83 7.64 -1.26 -1.89 113.62 120.69 3d85 n SER 40 Ca -0.02 1.11 -0.05 0.00 1.01 0.00 0.00 58.87 60.92 3d85 n SER 40 Cb 0.57 -1.26 -0.02 0.00 -1.01 0.00 0.00 64.21 62.48 3d85 n SER 40 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 3d85 n HIS 41 N 2.69 0.00 -4.55 1.43 8.25 -1.26 -5.00 115.22 116.78 3d85 n HIS 41 Ca 0.18 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.38 3d85 n HIS 41 Cb 0.22 -1.57 -0.10 0.00 1.12 0.00 0.00 29.99 29.66 3d85 n HIS 41 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3d85 s GLU 42 N -1.91 1.85 0.53 -0.41 2.02 -0.79 -5.14 118.70 114.85 3d85 s GLU 42 Ca 0.00 -2.05 -0.05 0.00 0.02 0.00 0.00 54.97 52.89 3d85 s GLU 42 Cb 0.00 -1.26 -0.01 0.00 0.10 0.00 0.00 34.13 32.96 3d85 s GLU 42 CO 0.00 -0.15 0.83 -1.54 0.02 0.00 0.00 175.26 174.42 3d85 s SER 43 N -3.62 5.86 0.42 -0.19 1.04 -1.26 -4.65 113.70 111.30 3d85 s SER 43 Ca 0.33 0.73 -0.26 0.00 0.48 0.00 0.00 55.95 57.24 3d85 s SER 43 Cb 0.09 -1.87 -0.09 0.00 0.10 0.00 0.00 66.02 64.25 3d85 s SER 43 CO 0.16 -0.85 1.36 -2.84 0.98 0.00 0.00 173.24 172.06 3d85 s PRO 44 N -4.85 3.86 -0.18 4.02 0.02 -1.26 -4.61 135.00 132.00 3d85 s PRO 44 Ca 0.51 2.29 -0.01 0.00 0.02 0.00 0.00 61.00 63.81 3d85 s PRO 44 Cb -0.10 -2.73 0.00 0.00 0.02 0.00 0.00 34.50 31.69 3d85 s PRO 44 CO 0.44 -0.63 -0.13 0.50 -0.33 0.00 0.00 177.00 176.85 3d85 s ARG 45 N -2.32 3.22 0.16 5.54 3.52 0.34 -4.93 118.95 124.48 3d85 s ARG 45 Ca 0.58 -0.73 -0.32 0.00 -0.13 0.00 0.00 55.73 55.14 3d85 s ARG 45 Cb -0.41 -2.71 -0.10 0.00 -1.56 0.00 0.00 34.95 30.17 3d85 s ARG 45 CO 0.53 -0.08 1.58 -1.17 -0.81 0.00 0.00 175.30 175.36 3d85 s LEU 46 N 1.06 4.37 -0.14 -0.88 2.96 -1.26 -1.26 118.68 123.53 3d85 s LEU 46 Ca -0.00 2.63 -0.01 0.00 -0.22 0.00 0.00 54.13 56.52 3d85 s LEU 46 Cb -0.15 -3.59 -0.08 0.00 0.50 0.00 0.00 46.19 42.87 3d85 s LEU 46 CO -0.03 -0.84 -0.14 0.18 -1.32 0.00 0.00 176.35 174.20 3d85 n LEU 47 N 4.08 2.57 -3.86 -0.68 4.77 0.28 -4.91 117.00 119.25 3d85 n LEU 47 Ca 0.14 -0.02 -0.14 0.00 -0.03 0.00 0.00 56.01 55.96 3d85 n LEU 47 Cb 0.38 -0.47 -0.15 0.00 -2.33 0.00 0.00 43.42 40.86 3d85 n LEU 47 CO 0.62 0.64 -0.37 -0.63 -1.33 0.00 0.00 177.39 176.32 3d85 s ILE 48 N -2.27 0.08 0.18 -0.08 -1.09 -1.17 -4.06 121.20 112.79 3d85 s ILE 48 Ca -0.19 0.02 0.11 0.00 -2.23 0.00 0.00 60.65 58.36 3d85 s ILE 48 Cb 0.05 -0.12 -0.04 0.00 -1.58 0.00 0.00 42.46 40.77 3d85 s ILE 48 CO 0.30 0.06 -0.23 -1.59 -1.23 0.00 0.00 174.94 172.25 3d85 s LYS 49 N 0.36 1.55 -1.40 2.79 -2.85 -0.30 -1.39 119.74 118.50 3d85 s LYS 49 Ca -0.03 -1.45 -0.00 0.00 -1.00 0.00 0.00 55.97 53.48 3d85 s LYS 49 Cb -0.05 -1.90 0.00 0.00 -2.06 0.00 0.00 37.83 33.82 3d85 s LYS 49 CO -0.01 0.42 0.45 0.66 0.10 0.00 0.00 175.35 176.97 3d85 n TYR 50 N 0.40 -1.67 0.00 1.78 4.02 -0.88 -1.06 117.16 119.74 3d85 n TYR 50 Ca -0.14 0.76 0.00 0.00 -0.01 0.00 0.00 57.90 58.51 3d85 n TYR 50 Cb 0.55 -3.79 0.00 0.00 -0.02 0.00 0.00 39.34 36.08 3d85 n TYR 50 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3d85 n ALA 51 N -4.39 0.00 -0.99 -0.72 0.00 0.26 -3.88 120.51 110.79 3d85 n ALA 51 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.14 3d85 n ALA 51 Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.13 3d85 n ALA 51 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3d85 n SER 52 N 1.59 0.00 -4.74 0.00 3.41 -1.20 -2.75 113.62 109.94 3d85 n SER 52 Ca 0.00 -0.97 -0.40 0.00 -0.26 0.00 0.00 58.87 57.24 3d85 n SER 52 Cb 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 3d85 n SER 52 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3d85 s GLN 53 N 0.00 4.51 0.57 4.33 -0.21 -0.23 -4.58 119.66 124.05 3d85 s GLN 53 Ca 0.00 1.09 -0.17 0.00 0.02 0.00 0.00 55.36 56.30 3d85 s GLN 53 Cb 0.00 -3.37 -0.05 0.00 1.00 0.00 0.00 33.01 30.59 3d85 s GLN 53 CO 0.00 0.25 1.07 -1.12 -2.12 0.00 0.00 175.29 173.36 3d85 s SER 54 N 0.06 5.84 -0.12 5.90 0.01 -1.26 -1.15 113.70 122.98 3d85 s SER 54 Ca 0.40 1.90 0.01 0.00 1.31 0.00 0.00 55.95 59.57 3d85 s SER 54 Cb -0.20 -2.55 -0.01 0.00 0.21 0.00 0.00 66.02 63.47 3d85 s SER 54 CO 0.23 -1.13 -0.17 -0.63 0.41 0.00 0.00 173.24 171.96 3d85 s ILE 55 N -2.26 2.72 0.17 1.44 -1.09 -1.26 -4.82 121.20 116.11 3d85 s ILE 55 Ca 0.66 -0.78 -0.34 0.00 -2.23 0.00 0.00 60.65 57.96 3d85 s ILE 55 Cb -0.17 -2.12 -0.14 0.00 -1.58 0.00 0.00 42.46 38.45 3d85 s ILE 55 CO 0.32 0.54 1.59 -0.24 -1.23 0.00 0.00 174.94 175.91 3d85 n SER 56 N 3.54 3.16 0.00 3.58 2.88 -1.26 -1.95 113.62 123.56 3d85 n SER 56 Ca -0.18 1.08 0.00 0.00 -1.33 0.00 0.00 58.87 58.44 3d85 n SER 56 Cb 0.53 -1.44 0.00 0.00 -0.75 0.00 0.00 64.21 62.55 3d85 n SER 56 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3d85 n GLY 57 N 3.43 0.81 3.86 0.46 0.00 -1.26 -5.06 105.19 107.44 3d85 n GLY 57 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 3d85 n GLY 57 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3d85 s ILE 58 N -2.42 5.26 0.45 -0.61 -1.09 -0.82 -5.05 121.20 116.92 3d85 s ILE 58 Ca 0.00 0.53 -0.24 0.00 -2.23 0.00 0.00 60.65 58.70 3d85 s ILE 58 Cb 0.00 -3.56 -0.09 0.00 -1.58 0.00 0.00 42.46 37.23 3d85 s ILE 58 CO 0.00 0.59 1.27 -2.65 -1.23 0.00 0.00 174.94 172.92 3d85 n PRO 59 N 1.87 1.84 0.07 2.79 -0.02 -1.26 -4.86 135.00 135.43 3d85 n PRO 59 Ca -0.17 0.66 0.07 0.00 -2.02 0.00 0.00 63.50 62.05 3d85 n PRO 59 Cb 0.54 -2.40 0.34 0.00 -0.02 0.00 0.00 33.50 31.95 3d85 n PRO 59 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3d85 n SER 60 N -0.04 0.29 -0.19 2.55 3.41 -1.26 -1.82 113.62 116.56 3d85 n SER 60 Ca 0.08 0.60 0.20 0.00 -0.26 0.00 0.00 58.87 59.48 3d85 n SER 60 Cb 0.41 -0.65 0.56 0.00 -0.26 0.00 0.00 64.21 64.27 3d85 n SER 60 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3d85 h ARG 61 N 0.00 0.30 -5.91 4.33 3.08 -1.95 -3.42 114.38 110.82 3d85 h ARG 61 Ca 0.00 -0.02 -0.57 0.00 0.07 0.00 0.00 59.98 59.46 3d85 h ARG 61 Cb 0.17 -0.07 -0.07 0.00 0.08 0.00 0.00 29.97 30.09 3d85 h ARG 61 CO 0.00 0.20 -0.08 -0.06 -1.07 0.00 0.00 179.97 178.96 3d85 s PHE 62 N -5.32 3.60 0.08 3.04 0.08 -0.75 -0.09 117.98 118.61 3d85 s PHE 62 Ca -0.07 1.04 -0.09 0.00 0.12 0.00 0.00 56.93 57.92 3d85 s PHE 62 Cb 0.22 -2.57 0.00 0.00 -0.57 0.00 0.00 43.02 40.10 3d85 s PHE 62 CO 0.77 0.26 0.20 -1.54 -0.10 0.00 0.00 175.22 174.82 3d85 s SER 63 N 0.21 0.07 0.16 1.36 1.04 -0.81 -5.00 113.70 110.74 3d85 s SER 63 Ca 0.29 -0.55 0.04 0.00 0.48 0.00 0.00 55.95 56.21 3d85 s SER 63 Cb -0.17 0.33 -0.05 0.00 0.10 0.00 0.00 66.02 66.24 3d85 s SER 63 CO 0.14 -0.69 -0.08 -0.83 0.98 0.00 0.00 173.24 172.76 3d85 s GLY 64 N -2.64 1.17 0.28 7.32 0.00 -1.26 -0.67 107.32 111.52 3d85 s GLY 64 Ca 0.02 -1.55 -0.19 0.00 0.00 0.00 0.00 44.72 43.00 3d85 s GLY 64 CO -0.09 -1.61 0.67 -1.35 0.00 0.00 0.00 173.10 170.73 3d85 s SER 65 N -3.20 -0.20 0.00 1.64 1.04 -0.35 -4.29 113.70 108.35 3d85 s SER 65 Ca 0.19 -0.72 0.00 0.00 0.48 0.00 0.00 55.95 55.90 3d85 s SER 65 Cb 0.03 0.71 0.00 0.00 0.10 0.00 0.00 66.02 66.86 3d85 s SER 65 CO 0.02 -1.33 0.00 0.61 0.98 0.00 0.00 173.24 173.52 3d85 n GLY 66 N -0.45 2.40 3.64 7.32 0.00 -1.26 -1.20 105.19 115.64 3d85 n GLY 66 Ca -0.04 -1.99 -0.09 0.00 0.00 0.00 0.00 46.02 43.91 3d85 n GLY 66 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3d85 s SER 67 N 0.00 -0.43 0.00 1.61 0.15 -1.23 -4.86 113.70 108.94 3d85 s SER 67 Ca 0.00 0.82 0.00 0.00 0.70 0.00 0.00 55.95 57.47 3d85 s SER 67 Cb 0.00 0.85 0.00 0.00 -1.71 0.00 0.00 66.02 65.16 3d85 s SER 67 CO 0.00 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 174.91 3d85 n GLY 68 N 2.23 1.02 0.00 9.45 0.00 0.20 -4.40 105.19 113.69 3d85 n GLY 68 Ca -0.12 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.22 3d85 n GLY 68 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3d85 n SER 69 N 1.21 2.40 -4.09 1.61 7.64 -1.26 -0.96 113.62 120.16 3d85 n SER 69 Ca 0.00 -0.24 -0.29 0.00 1.01 0.00 0.00 58.87 59.35 3d85 n SER 69 Cb 0.00 0.97 -0.17 0.00 -1.01 0.00 0.00 64.21 64.00 3d85 n SER 69 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 3d85 s ASP 70 N -1.45 2.55 0.11 6.43 1.01 -1.26 -0.99 116.67 123.08 3d85 s ASP 70 Ca 0.00 -0.46 0.04 0.00 0.71 0.00 0.00 52.55 52.84 3d85 s ASP 70 Cb 0.00 -1.16 -0.04 0.00 1.01 0.00 0.00 42.92 42.74 3d85 s ASP 70 CO 0.00 0.04 -0.10 -0.36 0.21 0.00 0.00 175.17 174.96 3d85 s PHE 71 N 0.86 1.13 -0.01 4.23 0.08 0.31 -3.53 117.98 121.04 3d85 s PHE 71 Ca -0.09 -0.66 0.00 0.00 0.12 0.00 0.00 56.93 56.30 3d85 s PHE 71 Cb -0.15 -0.61 0.01 0.00 -0.57 0.00 0.00 43.02 41.70 3d85 s PHE 71 CO 0.00 0.02 0.01 0.99 -0.10 0.00 0.00 175.22 176.14 3d85 s THR 72 N -2.56 -0.01 -0.18 0.64 2.01 -0.34 -1.68 115.64 113.51 3d85 s THR 72 Ca 0.08 0.06 -0.05 0.00 0.31 0.00 0.00 61.69 62.09 3d85 s THR 72 Cb -0.02 -0.03 -0.03 0.00 0.01 0.00 0.00 72.50 72.43 3d85 s THR 72 CO 0.00 0.03 0.00 -0.22 -0.69 0.00 0.00 174.62 173.74 3d85 s LEU 73 N 0.32 3.36 -0.05 4.42 2.96 -0.23 -1.21 118.68 128.25 3d85 s LEU 73 Ca -0.03 -0.12 0.04 0.00 -0.22 0.00 0.00 54.13 53.80 3d85 s LEU 73 Cb -0.04 -1.84 -0.02 0.00 0.50 0.00 0.00 46.19 44.79 3d85 s LEU 73 CO -0.01 0.12 -0.17 -0.44 -1.32 0.00 0.00 176.35 174.53 3d85 s SER 74 N 0.67 3.82 -0.28 3.68 0.01 0.15 -0.75 113.70 121.00 3d85 s SER 74 Ca -0.00 -0.26 -0.03 0.00 1.31 0.00 0.00 55.95 56.98 3d85 s SER 74 Cb -0.14 -0.76 0.03 0.00 0.21 0.00 0.00 66.02 65.36 3d85 s SER 74 CO 0.02 0.34 -0.01 -0.63 0.41 0.00 0.00 173.24 173.36 3d85 s ILE 75 N -0.67 3.09 0.07 1.44 1.01 0.16 -1.93 121.20 124.37 3d85 s ILE 75 Ca 0.10 -1.12 -0.26 0.00 0.00 0.00 0.00 60.65 59.38 3d85 s ILE 75 Cb -0.11 -2.66 -0.12 0.00 0.01 0.00 0.00 42.46 39.59 3d85 s ILE 75 CO 0.00 0.06 1.40 -1.13 0.00 0.00 0.00 174.94 175.27 3d85 h ASN 76 N 8.04 -1.09 -3.00 3.58 -1.24 -0.79 -0.71 115.58 120.38 3d85 h ASN 76 Ca -0.28 0.10 -0.57 0.00 0.71 0.00 0.00 56.30 56.26 3d85 h ASN 76 Cb 1.09 0.38 -0.40 0.00 0.73 0.00 0.00 38.32 40.12 3d85 h ASN 76 CO 0.56 -0.45 -0.77 -0.55 -1.29 0.00 0.00 177.43 174.93 3d85 s SER 77 N -3.90 3.69 0.28 1.15 0.15 -1.25 -3.30 113.70 110.52 3d85 s SER 77 Ca -0.12 -1.72 -0.29 0.00 0.70 0.00 0.00 55.95 54.52 3d85 s SER 77 Cb 0.04 -0.66 -0.14 0.00 -1.71 0.00 0.00 66.02 63.55 3d85 s SER 77 CO 0.44 -0.39 1.09 0.52 1.20 0.00 0.00 173.24 176.10 3d85 n VAL 78 N 4.72 1.82 -4.47 4.45 0.31 0.49 -4.59 118.33 121.05 3d85 n VAL 78 Ca -0.00 -0.45 -0.25 0.00 -0.01 0.00 0.00 64.34 63.63 3d85 n VAL 78 Cb 0.40 -1.09 -0.10 0.00 -0.91 0.00 0.00 33.84 32.14 3d85 n VAL 78 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 3d85 s GLU 79 N -1.41 1.82 0.32 5.55 2.02 -1.26 -0.56 118.70 125.19 3d85 s GLU 79 Ca 0.60 -1.82 0.04 0.00 0.02 0.00 0.00 54.97 53.81 3d85 s GLU 79 Cb -0.69 -1.79 0.65 0.00 0.10 0.00 0.00 34.13 32.40 3d85 s GLU 79 CO 0.59 0.23 1.90 -1.35 0.02 0.00 0.00 175.26 176.65 3d85 h PRO 80 N 2.09 0.86 0.00 0.39 0.11 -1.91 -0.89 132.00 132.65 3d85 h PRO 80 Ca -0.41 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3d85 h PRO 80 Cb 1.25 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3d85 h PRO 80 CO 0.65 0.57 0.00 -0.85 -0.21 0.00 0.00 178.00 178.16 3d85 n GLU 81 N -4.52 0.39 0.00 1.05 0.28 -1.10 -2.62 120.64 114.12 3d85 n GLU 81 Ca 0.15 0.04 0.14 0.00 -0.16 0.00 0.00 57.16 57.33 3d85 n GLU 81 Cb 0.29 -1.50 0.66 0.00 1.43 0.00 0.00 31.44 32.32 3d85 n GLU 81 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 3d85 n ASP 82 N -1.08 0.38 -4.78 -1.84 10.43 -0.34 -4.90 116.55 114.42 3d85 n ASP 82 Ca 0.10 -0.56 -0.41 0.00 2.57 0.00 0.00 54.79 56.49 3d85 n ASP 82 Cb 0.07 -0.10 0.00 0.00 1.84 0.00 0.00 41.12 42.93 3d85 n ASP 82 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 3d85 s VAL 83 N -2.44 2.05 -5.00 2.53 0.11 -1.08 -4.89 120.40 111.69 3d85 s VAL 83 Ca 0.31 0.05 0.00 0.00 -2.93 0.00 0.00 61.98 59.41 3d85 s VAL 83 Cb 0.20 -3.03 0.00 0.00 -1.53 0.00 0.00 36.38 32.02 3d85 s VAL 83 CO 0.46 0.01 0.00 0.61 -3.33 0.00 0.00 175.10 172.85 3d85 n GLY 84 N 0.48 -0.63 3.59 6.54 0.00 -1.14 -4.80 105.19 109.23 3d85 n GLY 84 Ca 0.02 -1.58 -0.34 0.00 0.00 0.00 0.00 46.02 44.12 3d85 n GLY 84 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3d85 s VAL 85 N -2.11 4.36 -0.19 1.61 1.01 -0.62 -0.28 120.40 124.18 3d85 s VAL 85 Ca 0.00 -0.19 -0.06 0.00 0.00 0.00 0.00 61.98 61.73 3d85 s VAL 85 Cb 0.00 -2.93 -0.03 0.00 0.00 0.00 0.00 36.38 33.42 3d85 s VAL 85 CO 0.00 0.50 0.03 -0.31 0.00 0.00 0.00 175.10 175.31 3d85 s TYR 86 N 0.18 3.14 0.07 5.22 1.51 -0.07 0.22 117.35 127.62 3d85 s TYR 86 Ca 0.01 -0.16 0.10 0.00 -1.01 0.00 0.00 57.07 56.01 3d85 s TYR 86 Cb -0.13 -2.07 -0.03 0.00 -0.11 0.00 0.00 41.96 39.62 3d85 s TYR 86 CO 0.02 -0.02 -0.26 0.71 -1.11 0.00 0.00 175.55 174.89 3d85 s TYR 87 N 0.62 2.28 0.28 2.71 1.51 -0.22 -1.03 117.35 123.49 3d85 s TYR 87 Ca 0.01 -0.40 0.07 0.00 -1.01 0.00 0.00 57.07 55.74 3d85 s TYR 87 Cb -0.14 -1.33 -0.03 0.00 -0.11 0.00 0.00 41.96 40.36 3d85 s TYR 87 CO 0.02 0.19 0.21 0.00 -1.11 0.00 0.00 175.55 174.86 3d85 s GLN 89 N -3.88 0.23 -0.32 0.00 0.74 0.45 -1.25 119.66 115.62 3d85 s GLN 89 Ca 0.35 0.41 -0.29 0.00 0.05 0.00 0.00 55.36 55.89 3d85 s GLN 89 Cb -0.07 -0.00 -0.00 0.00 1.10 0.00 0.00 33.01 34.04 3d85 s GLN 89 CO 0.25 -0.10 1.45 1.21 -0.55 0.00 0.00 175.29 177.56 3d85 s ASN 90 N 0.69 6.42 -0.17 6.67 2.47 0.09 -1.53 114.94 129.59 3d85 s ASN 90 Ca -0.05 1.18 0.16 0.00 0.42 0.00 0.00 52.86 54.57 3d85 s ASN 90 Cb -0.06 -2.54 0.61 0.00 -1.45 0.00 0.00 41.25 37.81 3d85 s ASN 90 CO -0.04 -1.30 1.52 0.61 -3.72 0.00 0.00 177.10 174.17 3d85 n GLY 91 N 4.75 3.49 0.14 1.21 0.00 -0.30 -3.62 105.19 110.85 3d85 n GLY 91 Ca 0.17 -0.92 -0.29 0.00 0.00 0.00 0.00 46.02 44.98 3d85 n GLY 91 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3d85 n HIS 92 N 0.09 0.13 -3.82 1.61 -0.00 -1.21 -4.88 115.22 107.14 3d85 n HIS 92 Ca 0.23 0.05 -0.10 0.00 -0.00 0.00 0.00 57.72 57.90 3d85 n HIS 92 Cb 0.93 -1.01 -0.06 0.00 -0.00 0.00 0.00 29.99 29.85 3d85 n HIS 92 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 3d85 s SER 93 N -7.42 -0.08 0.34 0.26 1.04 -1.26 -5.12 113.70 101.46 3d85 s SER 93 Ca -0.38 -0.62 -0.27 0.00 0.48 0.00 0.00 55.95 55.17 3d85 s SER 93 Cb 0.14 0.46 -0.09 0.00 0.10 0.00 0.00 66.02 66.63 3d85 s SER 93 CO 0.50 -0.90 1.07 -0.36 0.98 0.00 0.00 173.24 174.53 3d85 s PHE 94 N -3.89 3.45 0.45 5.02 2.99 -1.26 -3.63 117.98 121.10 3d85 s PHE 94 Ca 0.10 1.69 -0.20 0.00 0.00 0.00 0.00 56.93 58.51 3d85 s PHE 94 Cb 0.02 -3.19 -0.10 0.00 0.00 0.00 0.00 43.02 39.75 3d85 s PHE 94 CO -0.05 -0.53 0.96 -1.25 -0.00 0.00 0.00 175.22 174.35 3d85 s PRO 95 N -1.95 4.16 0.46 0.24 0.04 -1.26 -4.88 135.00 131.81 3d85 s PRO 95 Ca 0.51 1.12 -0.24 0.00 0.04 0.00 0.00 61.00 62.42 3d85 s PRO 95 Cb -0.27 -2.17 -0.07 0.00 0.04 0.00 0.00 34.50 32.03 3d85 s PRO 95 CO 0.34 -0.09 1.28 -0.06 0.04 0.00 0.00 177.00 178.51 3d85 s PHE 96 N -2.22 2.70 0.04 0.56 0.40 -1.24 -4.71 117.98 113.51 3d85 s PHE 96 Ca 0.62 1.44 0.01 0.00 -0.60 0.00 0.00 56.93 58.39 3d85 s PHE 96 Cb -0.10 -3.62 -0.03 0.00 0.51 0.00 0.00 43.02 39.79 3d85 s PHE 96 CO 0.16 -2.13 -0.05 0.95 0.70 0.00 0.00 175.22 174.86 3d85 s THR 97 N -1.35 0.30 0.20 0.64 -4.23 -1.24 -5.00 115.64 104.95 3d85 s THR 97 Ca 0.62 -1.17 0.11 0.00 -1.18 0.00 0.00 61.69 60.07 3d85 s THR 97 Cb -0.36 -0.66 -0.04 0.00 1.34 0.00 0.00 72.50 72.78 3d85 s THR 97 CO 0.45 -0.57 -0.21 -0.36 -0.54 0.00 0.00 174.62 173.39 3d85 s PHE 98 N -1.96 2.37 0.78 3.99 0.40 -1.26 -0.73 117.98 121.57 3d85 s PHE 98 Ca -0.09 -0.33 -0.11 0.00 -0.60 0.00 0.00 56.93 55.80 3d85 s PHE 98 Cb -0.06 -1.16 0.07 0.00 0.51 0.00 0.00 43.02 42.38 3d85 s PHE 98 CO -0.02 0.52 1.14 0.20 0.70 0.00 0.00 175.22 177.76 3d85 s GLY 99 N -2.75 1.61 0.00 4.36 0.00 -0.38 -4.58 107.32 105.57 3d85 s GLY 99 Ca 0.22 -0.68 0.26 0.00 0.00 0.00 0.00 44.72 44.53 3d85 s GLY 99 CO 0.11 -0.21 1.91 -1.14 0.00 0.00 0.00 173.10 173.77 3d85 n SER 100 N -3.22 0.00 0.00 1.64 3.41 -1.26 -4.72 113.62 109.47 3d85 n SER 100 Ca 0.08 -0.29 0.00 0.00 -0.26 0.00 0.00 58.87 58.40 3d85 n SER 100 Cb 0.61 -0.21 0.00 0.00 -0.26 0.00 0.00 64.21 64.35 3d85 n SER 100 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3d85 n GLY 101 N 0.87 0.19 3.03 5.00 0.00 -1.26 -5.00 105.19 108.01 3d85 n GLY 101 Ca 0.15 -1.60 -0.29 0.00 0.00 0.00 0.00 46.02 44.27 3d85 n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3d85 s THR 102 N -2.87 1.52 -0.19 2.61 2.01 -0.20 -4.69 115.64 113.83 3d85 s THR 102 Ca 0.00 -0.62 -0.22 0.00 0.31 0.00 0.00 61.69 61.16 3d85 s THR 102 Cb 0.00 -1.41 -0.02 0.00 0.01 0.00 0.00 72.50 71.07 3d85 s THR 102 CO 0.00 0.45 0.70 -0.75 -0.69 0.00 0.00 174.62 174.33 3d85 s LYS 103 N 1.30 4.23 -0.26 4.92 2.20 -0.04 -0.89 119.74 131.20 3d85 s LYS 103 Ca 0.00 0.75 -0.11 0.00 -0.36 0.00 0.00 55.97 56.25 3d85 s LYS 103 Cb -0.14 -3.58 -0.05 0.00 -1.51 0.00 0.00 37.83 32.55 3d85 s LYS 103 CO -0.07 -0.28 0.20 -1.17 -0.36 0.00 0.00 175.35 173.67 3d85 s LEU 104 N 2.03 4.06 0.04 5.43 0.20 0.61 -1.59 118.68 129.45 3d85 s LEU 104 Ca 0.32 0.08 0.06 0.00 0.69 0.00 0.00 54.13 55.28 3d85 s LEU 104 Cb -0.16 -2.15 -0.03 0.00 -0.43 0.00 0.00 46.19 43.41 3d85 s LEU 104 CO 0.11 -0.02 -0.14 -1.61 -0.29 0.00 0.00 176.35 174.40 3d85 s GLU 105 N 1.49 2.20 -0.11 1.98 2.02 0.38 -2.89 118.70 123.77 3d85 s GLU 105 Ca 0.08 -0.91 -0.06 0.00 0.02 0.00 0.00 54.97 54.10 3d85 s GLU 105 Cb -0.15 -2.28 -0.04 0.00 0.10 0.00 0.00 34.13 31.76 3d85 s GLU 105 CO 0.08 0.55 0.11 0.42 0.02 0.00 0.00 175.26 176.44 3d85 s ILE 106 N -0.96 5.23 0.09 -1.63 -1.09 -1.26 -0.93 121.20 120.65 3d85 s ILE 106 Ca 0.16 0.10 -0.10 0.00 -2.23 0.00 0.00 60.65 58.58 3d85 s ILE 106 Cb -0.11 -3.26 -0.06 0.00 -1.58 0.00 0.00 42.46 37.45 3d85 s ILE 106 CO 0.06 0.62 0.43 -0.54 -1.23 0.00 0.00 174.94 174.28 3d85 s LYS 107 N -0.99 3.79 0.33 2.79 1.02 0.21 -4.81 119.74 122.08 3d85 s LYS 107 Ca 0.15 0.22 -0.02 0.00 0.02 0.00 0.00 55.97 56.34 3d85 s LYS 107 Cb -0.12 -2.98 -0.00 0.00 -0.52 0.00 0.00 37.83 34.22 3d85 s LYS 107 CO 0.04 0.54 0.45 -0.98 -0.92 0.00 0.00 175.35 174.48 3d85 s ARG 108 N -1.96 1.86 0.71 1.68 1.70 -1.26 -4.27 118.95 117.42 3d85 s ARG 108 Ca 0.34 -1.75 -0.11 0.00 -0.47 0.00 0.00 55.73 53.74 3d85 s ARG 108 Cb -0.14 0.43 0.02 0.00 -0.57 0.00 0.00 34.95 34.69 3d85 s ARG 108 CO 0.18 -0.76 1.07 0.95 -1.08 0.00 0.00 175.30 175.66 3d85 s THR 109 N -3.16 3.81 0.28 4.99 -4.23 -1.26 -4.97 115.64 111.11 3d85 s THR 109 Ca 0.31 0.61 -0.30 0.00 -1.18 0.00 0.00 61.69 61.13 3d85 s THR 109 Cb 0.00 -3.26 -0.11 0.00 1.34 0.00 0.00 72.50 70.47 3d85 s THR 109 CO 0.20 -0.75 1.57 -0.69 -0.54 0.00 0.00 174.62 174.40 3d85 s VAL 110 N -2.96 2.18 -0.07 2.29 1.01 -1.26 -4.77 120.40 116.81 3d85 s VAL 110 Ca 0.59 0.15 -0.01 0.00 0.00 0.00 0.00 61.98 62.71 3d85 s VAL 110 Cb -0.15 -3.09 0.03 0.00 0.00 0.00 0.00 36.38 33.16 3d85 s VAL 110 CO 0.54 0.02 0.00 0.00 0.00 0.00 0.00 175.10 175.67 3d85 s ALA 111 N -0.01 0.65 0.42 5.51 0.00 0.69 -4.93 121.76 124.10 3d85 s ALA 111 Ca 0.62 -0.09 -0.24 0.00 0.00 0.00 0.00 51.96 52.26 3d85 s ALA 111 Cb -0.47 -0.71 -0.08 0.00 0.00 0.00 0.00 23.12 21.86 3d85 s ALA 111 CO 0.47 -0.43 1.09 0.00 0.00 0.00 0.00 175.76 176.89 3d85 s ALA 112 N 1.91 3.05 0.57 0.00 0.00 -1.26 -0.84 121.76 125.17 3d85 s ALA 112 Ca 0.04 0.78 -0.18 0.00 0.00 0.00 0.00 51.96 52.60 3d85 s ALA 112 Cb -0.12 -3.31 -0.05 0.00 0.00 0.00 0.00 23.12 19.64 3d85 s ALA 112 CO -0.05 -0.37 1.09 -1.25 0.00 0.00 0.00 175.76 175.18 3d85 s PRO 113 N -2.58 3.33 -0.11 0.00 0.04 -1.26 -4.69 135.00 129.72 3d85 s PRO 113 Ca 0.60 1.42 -0.18 0.00 0.04 0.00 0.00 61.00 62.88 3d85 s PRO 113 Cb -0.24 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.24 3d85 s PRO 113 CO 0.30 -0.83 0.46 -1.12 0.04 0.00 0.00 177.00 175.84 3d85 s SER 114 N -2.21 6.68 -0.09 6.66 0.01 -0.84 -4.84 113.70 119.06 3d85 s SER 114 Ca 0.68 0.80 -0.00 0.00 1.31 0.00 0.00 55.95 58.74 3d85 s SER 114 Cb -0.20 -2.28 -0.03 0.00 0.21 0.00 0.00 66.02 63.73 3d85 s SER 114 CO 0.31 0.03 -0.07 -0.69 0.41 0.00 0.00 173.24 173.23 3d85 s VAL 115 N 0.48 3.62 0.02 3.43 1.01 -1.26 -0.57 120.40 127.13 3d85 s VAL 115 Ca 0.25 -0.49 0.03 0.00 0.00 0.00 0.00 61.98 61.76 3d85 s VAL 115 Cb -0.15 -2.50 -0.02 0.00 0.00 0.00 0.00 36.38 33.71 3d85 s VAL 115 CO 0.10 0.56 -0.09 -0.36 0.00 0.00 0.00 175.10 175.32 3d85 s PHE 116 N -0.39 0.75 0.05 5.22 0.40 -0.45 -4.98 117.98 118.59 3d85 s PHE 116 Ca 0.05 -0.30 0.09 0.00 -0.60 0.00 0.00 56.93 56.17 3d85 s PHE 116 Cb -0.12 -0.46 -0.03 0.00 0.51 0.00 0.00 43.02 42.92 3d85 s PHE 116 CO 0.02 -0.02 -0.24 -1.50 0.70 0.00 0.00 175.22 174.18 3d85 s ILE 117 N -0.73 1.94 -0.07 0.64 2.07 -1.26 -0.17 121.20 123.62 3d85 s ILE 117 Ca -0.02 -1.34 0.01 0.00 -1.41 0.00 0.00 60.65 57.89 3d85 s ILE 117 Cb -0.06 -1.67 0.02 0.00 0.13 0.00 0.00 42.46 40.88 3d85 s ILE 117 CO 0.00 0.27 -0.06 -0.36 -1.91 0.00 0.00 174.94 172.88 3d85 s PHE 118 N -0.83 1.04 0.82 3.50 0.40 0.78 -5.00 117.98 118.70 3d85 s PHE 118 Ca 0.10 -0.38 -0.11 0.00 -0.60 0.00 0.00 56.93 55.94 3d85 s PHE 118 Cb -0.09 -0.89 0.08 0.00 0.51 0.00 0.00 43.02 42.62 3d85 s PHE 118 CO 0.02 -0.30 1.09 -2.14 0.70 0.00 0.00 175.22 174.60 3d85 s PRO 119 N 1.18 1.92 0.73 0.24 0.02 -1.26 -1.70 135.00 136.12 3d85 s PRO 119 Ca -0.06 0.84 -0.12 0.00 0.02 0.00 0.00 61.00 61.67 3d85 s PRO 119 Cb -0.14 -1.88 0.03 0.00 0.02 0.00 0.00 34.50 32.53 3d85 s PRO 119 CO -0.02 -1.79 1.10 -1.25 -0.33 0.00 0.00 177.00 174.72 3d85 s PRO 120 N -5.02 2.49 0.49 5.54 0.04 -1.21 -4.81 135.00 132.52 3d85 s PRO 120 Ca 0.61 1.24 -0.13 0.00 0.04 0.00 0.00 61.00 62.77 3d85 s PRO 120 Cb -0.16 -1.92 -0.07 0.00 0.04 0.00 0.00 34.50 32.39 3d85 s PRO 120 CO 0.56 -1.47 0.90 -1.54 0.04 0.00 0.00 177.00 175.49 3d85 s SER 121 N -3.10 6.51 0.35 6.66 1.04 -1.26 -4.96 113.70 118.94 3d85 s SER 121 Ca 0.63 1.35 0.05 0.00 0.48 0.00 0.00 55.95 58.46 3d85 s SER 121 Cb -0.18 -2.42 0.66 0.00 0.10 0.00 0.00 66.02 64.18 3d85 s SER 121 CO 0.50 -0.56 1.93 0.44 0.98 0.00 0.00 173.24 176.53 3d85 h ASP 122 N 0.81 0.52 -0.76 7.02 3.45 -2.00 -2.05 116.42 123.41 3d85 h ASP 122 Ca -0.47 -0.07 -0.03 0.00 0.43 0.00 0.00 57.03 56.89 3d85 h ASP 122 Cb 1.19 -0.13 -0.04 0.00 -0.56 0.00 0.00 39.33 39.79 3d85 h ASP 122 CO 0.62 0.51 0.36 -0.08 -1.57 0.00 0.00 179.24 179.08 3d85 h GLU 123 N 0.56 1.12 -0.29 3.56 4.81 -2.00 -2.60 114.58 119.75 3d85 h GLU 123 Ca 0.13 -0.17 -0.10 0.00 -0.13 0.00 0.00 59.36 59.09 3d85 h GLU 123 Cb 0.19 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 3d85 h GLU 123 CO -0.01 0.87 -0.23 0.37 -0.73 0.00 0.00 179.01 179.29 3d85 h GLN 124 N 1.11 0.66 -0.80 1.92 4.15 -1.74 -3.11 115.11 117.29 3d85 h GLN 124 Ca 0.27 -0.33 0.13 0.00 0.77 0.00 0.00 58.65 59.49 3d85 h GLN 124 Cb 0.14 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 27.77 3d85 h GLN 124 CO -0.03 0.93 0.53 -0.07 -1.93 0.00 0.00 178.83 178.25 3d85 h LEU 125 N 0.40 0.53 -2.07 -2.39 3.38 -1.03 0.89 115.31 115.02 3d85 h LEU 125 Ca 0.05 0.03 0.09 0.00 0.09 0.00 0.00 57.88 58.14 3d85 h LEU 125 Cb 0.78 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 3d85 h LEU 125 CO 0.06 0.28 0.25 0.11 0.09 0.00 0.00 178.44 179.23 3d85 h LYS 126 N 0.57 0.00 -0.00 1.13 1.57 -1.40 -1.48 116.57 116.95 3d85 h LYS 126 Ca 0.39 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.17 3d85 h LYS 126 Cb 0.71 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.02 3d85 h LYS 126 CO -0.15 0.00 -0.17 -1.13 -0.57 0.00 0.00 179.45 177.43 3d85 n SER 127 N -4.21 0.32 0.00 0.86 3.41 0.31 -4.92 113.62 109.39 3d85 n SER 127 Ca 0.04 -0.15 0.00 0.00 -0.26 0.00 0.00 58.87 58.50 3d85 n SER 127 Cb 0.41 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.23 3d85 n SER 127 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3d85 n GLY 128 N 1.40 0.65 3.13 5.00 0.00 -0.56 -5.07 105.19 109.75 3d85 n GLY 128 Ca 0.10 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.96 3d85 n GLY 128 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3d85 s THR 129 N -2.00 0.86 -0.11 2.61 2.01 -1.25 -1.39 115.64 116.37 3d85 s THR 129 Ca 0.00 -1.24 0.00 0.00 0.31 0.00 0.00 61.69 60.77 3d85 s THR 129 Cb 0.00 -0.90 0.02 0.00 0.01 0.00 0.00 72.50 71.63 3d85 s THR 129 CO 0.00 -0.31 -0.09 0.00 -0.69 0.00 0.00 174.62 173.53 3d85 s ALA 130 N -1.40 1.40 -0.22 7.40 0.00 -0.13 -3.47 121.76 125.34 3d85 s ALA 130 Ca -0.05 -0.58 -0.06 0.00 0.00 0.00 0.00 51.96 51.27 3d85 s ALA 130 Cb -0.10 -0.89 -0.03 0.00 0.00 0.00 0.00 23.12 22.11 3d85 s ALA 130 CO 0.01 -0.34 0.04 -1.12 0.00 0.00 0.00 175.76 174.35 3d85 s SER 131 N 1.54 5.10 -0.17 0.00 0.01 -1.26 -1.43 113.70 117.50 3d85 s SER 131 Ca 0.02 -0.15 -0.05 0.00 1.31 0.00 0.00 55.95 57.08 3d85 s SER 131 Cb -0.13 -1.89 -0.03 0.00 0.21 0.00 0.00 66.02 64.18 3d85 s SER 131 CO -0.07 0.05 0.01 -0.69 0.41 0.00 0.00 173.24 172.95 3d85 s VAL 132 N 1.11 4.32 -0.09 3.43 1.01 0.34 -3.34 120.40 127.18 3d85 s VAL 132 Ca 0.03 -0.20 0.02 0.00 0.00 0.00 0.00 61.98 61.83 3d85 s VAL 132 Cb -0.14 -2.92 -0.02 0.00 0.00 0.00 0.00 36.38 33.30 3d85 s VAL 132 CO 0.02 0.48 -0.13 -0.69 0.00 0.00 0.00 175.10 174.78 3d85 s VAL 133 N 0.34 3.10 -0.16 2.92 1.01 -0.69 -0.81 120.40 126.11 3d85 s VAL 133 Ca -0.01 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.30 3d85 s VAL 133 Cb -0.13 -2.26 -0.00 0.00 0.00 0.00 0.00 36.38 33.99 3d85 s VAL 133 CO 0.02 0.56 -0.16 0.00 0.00 0.00 0.00 175.10 175.52 3d85 s LEU 135 N 0.86 3.25 -0.27 0.00 2.96 0.76 -0.24 118.68 126.00 3d85 s LEU 135 Ca -0.05 -0.13 -0.03 0.00 -0.22 0.00 0.00 54.13 53.71 3d85 s LEU 135 Cb -0.15 -1.78 0.03 0.00 0.50 0.00 0.00 46.19 44.78 3d85 s LEU 135 CO -0.01 0.17 -0.02 -0.76 -1.32 0.00 0.00 176.35 174.41 3d85 s LEU 136 N 0.35 3.43 -0.13 -0.68 1.02 0.25 -1.33 118.68 121.59 3d85 s LEU 136 Ca -0.04 -0.89 -0.03 0.00 0.02 0.00 0.00 54.13 53.19 3d85 s LEU 136 Cb -0.14 -1.72 -0.03 0.00 0.02 0.00 0.00 46.19 44.32 3d85 s LEU 136 CO 0.03 -0.16 -0.03 0.21 0.02 0.00 0.00 176.35 176.42 3d85 s ASN 137 N 1.35 4.89 -0.72 2.29 2.47 0.27 -1.11 114.94 124.37 3d85 s ASN 137 Ca -0.00 -0.04 -0.05 0.00 0.42 0.00 0.00 52.86 53.19 3d85 s ASN 137 Cb -0.17 -1.61 0.01 0.00 -1.45 0.00 0.00 41.25 38.02 3d85 s ASN 137 CO -0.02 0.25 0.65 0.59 -3.72 0.00 0.00 177.10 174.84 3d85 n ASN 138 N 3.00 -6.36 -4.38 -4.21 3.02 -0.94 -1.99 115.26 103.40 3d85 n ASN 138 Ca -0.18 -0.41 -0.19 0.00 -0.03 0.00 0.00 54.58 53.77 3d85 n ASN 138 Cb 0.53 -3.45 -0.10 0.00 -0.61 0.00 0.00 39.78 36.14 3d85 n ASN 138 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 3d85 s PHE 139 N -2.82 1.78 -0.22 3.10 -0.12 -0.05 -4.66 117.98 114.99 3d85 s PHE 139 Ca 0.06 -0.66 -0.14 0.00 -0.05 0.00 0.00 56.93 56.13 3d85 s PHE 139 Cb -0.01 -0.93 0.07 0.00 -0.63 0.00 0.00 43.02 41.51 3d85 s PHE 139 CO 0.83 0.28 0.56 -0.47 -0.05 0.00 0.00 175.22 176.36 3d85 s TYR 140 N -3.04 -0.80 0.98 3.49 6.14 -0.02 -0.85 117.35 123.24 3d85 s TYR 140 Ca 0.26 1.69 -0.16 0.00 0.64 0.00 0.00 57.07 59.50 3d85 s TYR 140 Cb 0.02 0.42 0.20 0.00 0.42 0.00 0.00 41.96 43.01 3d85 s TYR 140 CO 0.09 -0.41 1.27 -1.25 0.64 0.00 0.00 175.55 175.89 3d85 s PRO 141 N 1.32 0.52 0.39 4.97 0.04 -1.26 -0.22 135.00 140.75 3d85 s PRO 141 Ca -0.08 -0.28 0.08 0.00 0.04 0.00 0.00 61.00 60.75 3d85 s PRO 141 Cb -0.06 -1.82 0.81 0.00 0.04 0.00 0.00 34.50 33.46 3d85 s PRO 141 CO -0.14 -2.51 1.98 -0.09 0.04 0.00 0.00 177.00 176.28 3d85 h ARG 142 N -1.72 0.40 -6.64 4.56 2.43 -1.98 -3.44 114.38 107.99 3d85 h ARG 142 Ca -0.45 -0.06 -0.52 0.00 -0.81 0.00 0.00 59.98 58.14 3d85 h ARG 142 Cb 1.26 -0.07 0.05 0.00 -0.42 0.00 0.00 29.97 30.78 3d85 h ARG 142 CO 0.41 0.38 0.86 -1.21 -1.51 0.00 0.00 179.97 178.90 3d85 s GLU 143 N -5.09 4.22 -0.06 0.20 8.01 -1.26 -5.00 118.70 119.73 3d85 s GLU 143 Ca -0.07 2.36 -0.26 0.00 0.01 0.00 0.00 54.97 57.01 3d85 s GLU 143 Cb 0.16 -3.14 0.06 0.00 -4.31 0.00 0.00 34.13 26.90 3d85 s GLU 143 CO 0.73 -0.57 0.57 0.00 0.01 0.00 0.00 175.26 176.01 3d85 s ALA 144 N 0.88 -1.48 -0.12 5.21 0.00 -1.26 -4.53 121.76 120.46 3d85 s ALA 144 Ca 0.68 1.08 0.01 0.00 0.00 0.00 0.00 51.96 53.73 3d85 s ALA 144 Cb -0.43 -0.07 -0.01 0.00 0.00 0.00 0.00 23.12 22.61 3d85 s ALA 144 CO 0.34 -0.33 -0.16 0.21 0.00 0.00 0.00 175.76 175.82 3d85 s LYS 145 N -1.10 3.27 -0.11 0.00 2.20 -0.61 -5.00 119.74 118.40 3d85 s LYS 145 Ca -0.11 -0.74 0.02 0.00 -0.36 0.00 0.00 55.97 54.78 3d85 s LYS 145 Cb -0.02 -2.53 0.02 0.00 -1.51 0.00 0.00 37.83 33.79 3d85 s LYS 145 CO 0.08 0.22 -0.14 0.08 -0.36 0.00 0.00 175.35 175.22 3d85 s VAL 146 N 0.31 1.44 0.07 4.02 1.01 -1.26 -1.40 120.40 124.59 3d85 s VAL 146 Ca -0.13 -0.60 0.09 0.00 0.00 0.00 0.00 61.98 61.34 3d85 s VAL 146 Cb -0.16 -1.32 -0.03 0.00 0.00 0.00 0.00 36.38 34.86 3d85 s VAL 146 CO 0.06 0.43 -0.26 -1.10 0.00 0.00 0.00 175.10 174.24 3d85 s GLN 147 N 1.01 1.60 0.01 2.72 -0.21 -0.12 -4.94 119.66 119.74 3d85 s GLN 147 Ca -0.06 -1.16 0.02 0.00 0.02 0.00 0.00 55.36 54.18 3d85 s GLN 147 Cb -0.15 -1.86 -0.04 0.00 1.00 0.00 0.00 33.01 31.96 3d85 s GLN 147 CO -0.02 0.47 -0.00 -1.58 -2.12 0.00 0.00 175.29 172.04 3d85 s TRP 148 N -0.89 3.06 -0.05 0.91 0.52 -1.26 -0.41 118.94 120.82 3d85 s TRP 148 Ca 0.12 0.07 0.02 0.00 0.02 0.00 0.00 56.10 56.32 3d85 s TRP 148 Cb -0.10 -1.65 0.01 0.00 -1.15 0.00 0.00 33.47 30.58 3d85 s TRP 148 CO 0.03 0.46 -0.09 0.15 0.02 0.00 0.00 176.95 177.52 3d85 s LYS 149 N -1.63 1.24 -0.20 4.98 1.02 0.10 -0.65 119.74 124.61 3d85 s LYS 149 Ca 0.20 -0.29 -0.02 0.00 0.02 0.00 0.00 55.97 55.89 3d85 s LYS 149 Cb -0.12 -1.10 0.00 0.00 -0.52 0.00 0.00 37.83 36.10 3d85 s LYS 149 CO 0.11 0.01 -0.11 0.08 -0.92 0.00 0.00 175.35 174.53 3d85 s VAL 150 N 0.63 2.89 -1.42 3.17 1.01 -0.72 -1.07 120.40 124.90 3d85 s VAL 150 Ca -0.11 -0.66 -0.02 0.00 0.00 0.00 0.00 61.98 61.18 3d85 s VAL 150 Cb -0.14 -2.28 0.02 0.00 0.00 0.00 0.00 36.38 33.98 3d85 s VAL 150 CO 0.02 0.47 0.54 0.47 0.00 0.00 0.00 175.10 176.60 3d85 n ASP 151 N 4.59 -0.98 0.00 3.32 8.00 0.80 -0.92 116.55 131.36 3d85 n ASP 151 Ca -0.19 -0.95 0.00 0.00 0.71 0.00 0.00 54.79 54.35 3d85 n ASP 151 Cb 0.51 -3.29 0.00 0.00 -0.02 0.00 0.00 41.12 38.32 3d85 n ASP 151 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3d85 n ASN 152 N -2.97 -3.23 -4.70 -2.24 3.02 -1.26 -4.98 115.26 98.89 3d85 n ASN 152 Ca -0.26 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 53.93 3d85 n ASN 152 Cb 0.66 -2.71 -0.08 0.00 -0.61 0.00 0.00 39.78 37.03 3d85 n ASN 152 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3d85 s ALA 153 N -1.24 3.64 0.20 5.41 0.00 -0.10 -5.03 121.76 124.65 3d85 s ALA 153 Ca 0.00 -0.74 -0.31 0.00 0.00 0.00 0.00 51.96 50.91 3d85 s ALA 153 Cb 0.00 -2.28 -0.10 0.00 0.00 0.00 0.00 23.12 20.74 3d85 s ALA 153 CO 0.00 -0.01 1.57 -1.17 0.00 0.00 0.00 175.76 176.15 3d85 s LEU 154 N 0.70 4.37 0.34 0.00 2.96 -1.26 -1.75 118.68 124.04 3d85 s LEU 154 Ca 0.09 2.70 -0.01 0.00 -0.22 0.00 0.00 54.13 56.68 3d85 s LEU 154 Cb -0.12 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 42.92 3d85 s LEU 154 CO 0.02 -0.84 0.57 -1.10 -1.32 0.00 0.00 176.35 173.68 3d85 s GLN 155 N 0.73 3.53 -0.17 1.98 -1.52 0.18 -4.95 119.66 119.44 3d85 s GLN 155 Ca 0.68 -0.20 -0.13 0.00 -1.95 0.00 0.00 55.36 53.76 3d85 s GLN 155 Cb -0.45 -2.64 0.05 0.00 -0.22 0.00 0.00 33.01 29.75 3d85 s GLN 155 CO 0.35 0.14 0.43 0.45 -0.25 0.00 0.00 175.29 176.41 3d85 s SER 156 N -3.79 -0.48 0.00 5.90 0.15 -1.26 -4.68 113.70 109.54 3d85 s SER 156 Ca 0.42 0.88 0.00 0.00 0.70 0.00 0.00 55.95 57.95 3d85 s SER 156 Cb -0.10 0.85 0.00 0.00 -1.71 0.00 0.00 66.02 65.06 3d85 s SER 156 CO 0.35 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 175.24 3d85 n GLY 157 N 3.33 1.72 0.67 9.45 0.00 -1.26 -4.87 105.19 114.22 3d85 n GLY 157 Ca -0.17 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.90 3d85 n GLY 157 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3d85 n ASN 158 N 0.00 2.40 -4.04 1.61 0.23 -1.26 -5.02 115.26 109.18 3d85 n ASN 158 Ca 0.00 -3.54 -0.09 0.00 -0.53 0.00 0.00 54.58 50.43 3d85 n ASN 158 Cb 0.00 -0.54 -0.11 0.00 -2.08 0.00 0.00 39.78 37.06 3d85 n ASN 158 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 3d85 s SER 159 N -2.76 0.44 -0.00 0.53 1.04 -1.26 -0.81 113.70 110.88 3d85 s SER 159 Ca 0.39 -0.73 -0.02 0.00 0.48 0.00 0.00 55.95 56.07 3d85 s SER 159 Cb 0.35 0.13 -0.00 0.00 0.10 0.00 0.00 66.02 66.60 3d85 s SER 159 CO -0.00 -0.42 0.04 -1.10 0.98 0.00 0.00 173.24 172.73 3d85 s GLN 160 N -2.57 0.21 0.10 4.02 -0.21 -0.72 -4.96 119.66 115.53 3d85 s GLN 160 Ca -0.05 -0.24 0.08 0.00 0.02 0.00 0.00 55.36 55.17 3d85 s GLN 160 Cb -0.02 0.08 -0.04 0.00 1.00 0.00 0.00 33.01 34.03 3d85 s GLN 160 CO -0.05 -0.04 -0.13 -1.21 -2.12 0.00 0.00 175.29 171.74 3d85 s GLU 161 N -0.71 2.01 -0.01 2.91 2.02 -1.26 -1.12 118.70 122.54 3d85 s GLU 161 Ca -0.08 -1.07 0.01 0.00 0.02 0.00 0.00 54.97 53.86 3d85 s GLU 161 Cb -0.05 -2.23 -0.00 0.00 0.10 0.00 0.00 34.13 31.95 3d85 s GLU 161 CO -0.00 0.50 -0.05 -1.12 0.02 0.00 0.00 175.26 174.62 3d85 s SER 162 N -2.11 0.58 -0.00 -0.19 0.01 -0.31 -4.98 113.70 106.70 3d85 s SER 162 Ca 0.19 -0.09 0.06 0.00 1.31 0.00 0.00 55.95 57.43 3d85 s SER 162 Cb -0.11 -0.09 -0.02 0.00 0.21 0.00 0.00 66.02 66.01 3d85 s SER 162 CO 0.12 0.05 -0.20 0.54 0.41 0.00 0.00 173.24 174.15 3d85 s VAL 163 N -0.00 1.60 0.85 3.43 0.11 -1.26 -0.66 120.40 124.46 3d85 s VAL 163 Ca 0.01 -0.94 -0.12 0.00 -2.93 0.00 0.00 61.98 57.99 3d85 s VAL 163 Cb -0.03 -1.35 0.10 0.00 -1.53 0.00 0.00 36.38 33.57 3d85 s VAL 163 CO -0.00 0.39 1.14 0.42 -3.33 0.00 0.00 175.10 173.71 3d85 s THR 164 N -0.55 2.33 0.64 5.04 -4.23 -0.17 -5.00 115.64 113.70 3d85 s THR 164 Ca 0.08 0.11 -0.11 0.00 -1.18 0.00 0.00 61.69 60.58 3d85 s THR 164 Cb -0.08 -2.93 -0.03 0.00 1.34 0.00 0.00 72.50 70.80 3d85 s THR 164 CO -0.00 -0.14 1.04 -1.61 -0.54 0.00 0.00 174.62 173.37 3d85 s GLU 165 N -5.33 3.42 0.20 3.99 0.41 -1.26 -4.68 118.70 115.45 3d85 s GLU 165 Ca 0.62 0.79 -0.32 0.00 -0.41 0.00 0.00 54.97 55.65 3d85 s GLU 165 Cb -0.14 -2.06 -0.13 0.00 -1.78 0.00 0.00 34.13 30.03 3d85 s GLU 165 CO 0.52 -0.71 1.62 0.94 -0.49 0.00 0.00 175.26 177.14 3d85 n GLN 166 N -2.85 2.44 -1.99 1.61 7.27 -1.26 -4.79 117.38 117.82 3d85 n GLN 166 Ca 0.06 0.88 -0.41 0.00 0.07 0.00 0.00 57.00 57.60 3d85 n GLN 166 Cb 0.54 -2.67 -0.01 0.00 2.41 0.00 0.00 30.24 30.51 3d85 n GLN 166 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 3d85 s ASP 167 N 0.89 6.60 0.29 1.69 2.15 0.67 -4.90 116.67 124.06 3d85 s ASP 167 Ca 0.74 2.83 0.13 0.00 0.43 0.00 0.00 52.55 56.68 3d85 s ASP 167 Cb -0.59 -2.66 0.37 0.00 -0.30 0.00 0.00 42.92 39.75 3d85 s ASP 167 CO 0.38 -0.67 1.60 0.28 -0.17 0.00 0.00 175.17 176.60 3d85 h SER 168 N 3.25 0.00 0.00 -0.34 0.02 -1.90 -1.87 113.55 112.70 3d85 h SER 168 Ca -0.50 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.24 3d85 h SER 168 Cb 1.23 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.74 3d85 h SER 168 CO 0.65 0.58 -1.19 0.50 -1.14 0.00 0.00 176.83 176.23 3d85 h LYS 169 N 0.00 0.00 -0.08 3.45 3.64 -1.91 -2.92 116.57 118.75 3d85 h LYS 169 Ca -0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3d85 h LYS 169 Cb 1.13 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 3d85 h LYS 169 CO 0.08 0.91 0.00 -0.40 -2.27 0.00 0.00 179.45 177.77 3d85 n ASP 170 N -4.45 2.50 -1.25 4.20 3.85 -1.26 -4.90 116.55 115.25 3d85 n ASP 170 Ca -0.30 -1.73 -0.16 0.00 -0.71 0.00 0.00 54.79 51.89 3d85 n ASP 170 Cb 0.64 -0.04 -0.07 0.00 -1.35 0.00 0.00 41.12 40.31 3d85 n ASP 170 CO 0.00 0.00 0.00 -1.20 -1.01 0.00 0.00 177.20 174.99 3d85 n SER 171 N 0.95 -5.51 -4.98 -1.12 7.64 -0.70 -4.95 113.62 104.95 3d85 n SER 171 Ca 0.11 0.40 -0.19 0.00 1.01 0.00 0.00 58.87 60.20 3d85 n SER 171 Cb 0.43 -4.44 0.04 0.00 -1.01 0.00 0.00 64.21 59.23 3d85 n SER 171 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3d85 s THR 172 N -2.42 2.56 0.27 0.44 -4.23 -1.26 -4.61 115.64 106.38 3d85 s THR 172 Ca 0.00 -0.91 0.11 0.00 -1.18 0.00 0.00 61.69 59.71 3d85 s THR 172 Cb 0.00 -2.65 -0.05 0.00 1.34 0.00 0.00 72.50 71.14 3d85 s THR 172 CO 0.00 0.00 -0.17 -0.31 -0.54 0.00 0.00 174.62 173.60 3d85 s TYR 173 N -2.61 2.17 0.09 3.99 1.51 -0.03 -0.24 117.35 122.24 3d85 s TYR 173 Ca 0.59 -0.41 0.05 0.00 -1.01 0.00 0.00 57.07 56.29 3d85 s TYR 173 Cb -0.08 -1.00 -0.03 0.00 -0.11 0.00 0.00 41.96 40.74 3d85 s TYR 173 CO 0.37 0.61 -0.13 -1.12 -1.11 0.00 0.00 175.55 174.17 3d85 s SER 174 N -3.48 1.71 -0.00 2.29 0.01 -1.26 -0.87 113.70 112.10 3d85 s SER 174 Ca 0.29 -0.69 -0.00 0.00 1.31 0.00 0.00 55.95 56.85 3d85 s SER 174 Cb -0.03 -0.04 -0.00 0.00 0.21 0.00 0.00 66.02 66.16 3d85 s SER 174 CO 0.13 -0.12 0.01 -0.22 0.41 0.00 0.00 173.24 173.45 3d85 s LEU 175 N -2.02 1.98 -0.03 2.44 0.20 -0.27 -1.00 118.68 119.97 3d85 s LEU 175 Ca 0.02 -0.02 0.04 0.00 0.69 0.00 0.00 54.13 54.86 3d85 s LEU 175 Cb -0.08 0.04 -0.03 0.00 -0.43 0.00 0.00 46.19 45.70 3d85 s LEU 175 CO 0.02 -0.03 -0.15 -0.94 -0.29 0.00 0.00 176.35 174.96 3d85 s SER 176 N -0.11 3.96 -0.11 3.68 1.04 0.16 -0.58 113.70 121.74 3d85 s SER 176 Ca -0.01 -0.24 0.02 0.00 0.48 0.00 0.00 55.95 56.20 3d85 s SER 176 Cb -0.01 -0.79 0.01 0.00 0.10 0.00 0.00 66.02 65.33 3d85 s SER 176 CO -0.00 0.33 -0.18 -0.55 0.98 0.00 0.00 173.24 173.82 3d85 s SER 177 N -0.83 2.58 -0.18 7.02 0.15 0.67 -1.16 113.70 121.95 3d85 s SER 177 Ca 0.12 -0.46 0.00 0.00 0.70 0.00 0.00 55.95 56.31 3d85 s SER 177 Cb -0.11 -1.17 0.01 0.00 -1.71 0.00 0.00 66.02 63.04 3d85 s SER 177 CO 0.01 0.06 -0.18 -0.89 1.20 0.00 0.00 173.24 173.44 3d85 s THR 178 N 0.79 2.31 -0.22 6.45 2.01 -0.27 -0.37 115.64 126.33 3d85 s THR 178 Ca -0.10 -0.87 -0.15 0.00 0.31 0.00 0.00 61.69 60.88 3d85 s THR 178 Cb -0.16 -1.98 -0.04 0.00 0.01 0.00 0.00 72.50 70.34 3d85 s THR 178 CO 0.01 0.52 0.36 -0.22 -0.69 0.00 0.00 174.62 174.61 3d85 s LEU 179 N 1.19 4.13 -0.17 4.42 2.96 0.01 -1.75 118.68 129.47 3d85 s LEU 179 Ca 0.02 0.41 -0.02 0.00 -0.22 0.00 0.00 54.13 54.33 3d85 s LEU 179 Cb -0.14 -2.44 -0.01 0.00 0.50 0.00 0.00 46.19 44.10 3d85 s LEU 179 CO -0.09 -0.08 -0.09 -0.89 -1.32 0.00 0.00 176.35 173.88 3d85 s THR 180 N 1.43 3.18 0.21 3.68 2.01 0.01 -0.51 115.64 125.65 3d85 s THR 180 Ca 0.17 -0.59 0.03 0.00 0.31 0.00 0.00 61.69 61.61 3d85 s THR 180 Cb -0.15 -2.39 -0.05 0.00 0.01 0.00 0.00 72.50 69.93 3d85 s THR 180 CO 0.08 0.48 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.72 3d85 s LEU 181 N 0.87 2.19 0.70 4.42 1.43 -0.51 -4.86 118.68 122.92 3d85 s LEU 181 Ca -0.02 -1.19 -0.12 0.00 -1.03 0.00 0.00 54.13 51.77 3d85 s LEU 181 Cb -0.15 -0.22 0.02 0.00 0.03 0.00 0.00 46.19 45.87 3d85 s LEU 181 CO 0.00 -0.51 1.07 -0.94 0.23 0.00 0.00 176.35 176.20 3d85 s SER 182 N -3.26 5.14 0.30 2.29 1.04 -1.26 -0.96 113.70 116.99 3d85 s SER 182 Ca 0.26 1.74 -0.02 0.00 0.48 0.00 0.00 55.95 58.42 3d85 s SER 182 Cb 0.05 -2.51 0.45 0.00 0.10 0.00 0.00 66.02 64.11 3d85 s SER 182 CO 0.07 -1.60 1.96 0.50 0.98 0.00 0.00 173.24 175.14 3d85 h LYS 183 N -0.61 1.05 -0.30 4.02 3.64 -1.50 -0.62 116.57 122.25 3d85 h LYS 183 Ca -0.44 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 58.84 3d85 h LYS 183 Cb 1.22 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.80 3d85 h LYS 183 CO 0.55 0.71 0.10 0.00 -2.27 0.00 0.00 179.45 178.54 3d85 h ALA 184 N 1.48 0.39 -0.35 5.00 0.00 -1.92 0.54 119.26 124.40 3d85 h ALA 184 Ca 0.29 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 3d85 h ALA 184 Cb -0.09 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3d85 h ALA 184 CO -0.06 0.02 0.02 -0.44 0.00 0.00 0.00 179.25 178.79 3d85 h ASP 185 N 0.33 0.59 -0.44 0.00 3.45 -1.88 -2.34 116.42 116.14 3d85 h ASP 185 Ca 0.10 -0.29 0.07 0.00 0.43 0.00 0.00 57.03 57.34 3d85 h ASP 185 Cb 0.22 -0.16 -0.06 0.00 -0.56 0.00 0.00 39.33 38.78 3d85 h ASP 185 CO -0.00 0.74 0.08 0.22 -1.57 0.00 0.00 179.24 178.70 3d85 h TYR 186 N 0.43 0.12 0.00 4.55 3.20 -0.89 -2.24 116.97 122.15 3d85 h TYR 186 Ca 0.10 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.99 3d85 h TYR 186 Cb 0.42 0.01 -0.00 0.00 1.54 0.00 0.00 36.73 38.70 3d85 h TYR 186 CO 0.03 -0.00 -0.03 0.93 -1.64 0.00 0.00 178.16 177.44 3d85 h GLU 187 N 0.21 0.00 0.00 1.82 5.08 -0.68 -2.92 114.58 118.08 3d85 h GLU 187 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 3d85 h GLU 187 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 3d85 h GLU 187 CO -0.29 0.03 -0.13 0.87 -1.00 0.00 0.00 179.01 178.49 3d85 h LYS 188 N 0.00 0.00 -5.98 2.33 1.57 -0.85 -3.47 116.57 110.17 3d85 h LYS 188 Ca -0.00 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 58.17 3d85 h LYS 188 Cb 0.30 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 32.48 3d85 h LYS 188 CO 0.00 0.00 -0.68 -1.01 -0.57 0.00 0.00 179.45 177.20 3d85 s HIS 189 N -3.17 2.42 -0.08 -1.35 3.76 -1.11 -5.08 115.29 110.69 3d85 s HIS 189 Ca 0.08 -0.47 -0.01 0.00 -0.15 0.00 0.00 55.06 54.51 3d85 s HIS 189 Cb 0.09 -1.35 -0.04 0.00 1.11 0.00 0.00 32.58 32.39 3d85 s HIS 189 CO 0.65 0.58 -0.08 1.17 -0.85 0.00 0.00 174.74 176.22 3d85 n LYS 190 N -0.80 0.18 -3.78 1.40 4.81 -1.26 -4.70 118.16 114.00 3d85 n LYS 190 Ca -0.05 0.05 -0.36 0.00 -0.87 0.00 0.00 58.31 57.08 3d85 n LYS 190 Cb 0.63 -1.02 -0.10 0.00 0.02 0.00 0.00 35.03 34.56 3d85 n LYS 190 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3d85 s VAL 191 N -2.15 4.95 -0.14 3.15 1.01 -1.26 0.77 120.40 126.73 3d85 s VAL 191 Ca -0.10 0.04 0.02 0.00 0.00 0.00 0.00 61.98 61.93 3d85 s VAL 191 Cb 0.03 -3.29 0.02 0.00 0.00 0.00 0.00 36.38 33.13 3d85 s VAL 191 CO 0.16 0.37 -0.19 -0.31 0.00 0.00 0.00 175.10 175.13 3d85 s TYR 192 N 1.03 2.47 0.01 5.22 2.02 -0.28 -0.14 117.35 127.69 3d85 s TYR 192 Ca 0.06 -1.32 0.00 0.00 -0.37 0.00 0.00 57.07 55.44 3d85 s TYR 192 Cb -0.14 -1.73 -0.01 0.00 -0.40 0.00 0.00 41.96 39.69 3d85 s TYR 192 CO 0.04 -0.64 -0.02 0.00 -1.57 0.00 0.00 175.55 173.35 3d85 s ALA 193 N 1.08 0.09 -0.06 3.71 0.00 -0.23 -1.17 121.76 125.17 3d85 s ALA 193 Ca -0.02 -0.34 0.06 0.00 0.00 0.00 0.00 51.96 51.65 3d85 s ALA 193 Cb -0.14 0.08 -0.01 0.00 0.00 0.00 0.00 23.12 23.05 3d85 s ALA 193 CO -0.06 -0.09 -0.25 0.00 0.00 0.00 0.00 175.76 175.37 3d85 s GLU 195 N -0.10 3.19 -0.09 0.00 2.12 0.45 -1.33 118.70 122.93 3d85 s GLU 195 Ca -0.05 -0.75 0.02 0.00 0.36 0.00 0.00 54.97 54.54 3d85 s GLU 195 Cb -0.14 -2.65 -0.02 0.00 0.26 0.00 0.00 34.13 31.58 3d85 s GLU 195 CO 0.04 -0.05 -0.14 0.08 -0.54 0.00 0.00 175.26 174.65 3d85 s VAL 196 N 0.96 2.99 0.04 3.70 1.01 0.10 -0.94 120.40 128.26 3d85 s VAL 196 Ca -0.02 -0.72 0.07 0.00 0.00 0.00 0.00 61.98 61.31 3d85 s VAL 196 Cb -0.15 -2.21 -0.02 0.00 0.00 0.00 0.00 36.38 34.00 3d85 s VAL 196 CO -0.03 0.56 -0.21 0.42 0.00 0.00 0.00 175.10 175.84 3d85 s THR 197 N -0.15 1.69 -0.01 3.92 -4.23 -0.49 -1.06 115.64 115.30 3d85 s THR 197 Ca -0.01 -1.18 -0.29 0.00 -1.18 0.00 0.00 61.69 59.03 3d85 s THR 197 Cb -0.14 -1.46 0.07 0.00 1.34 0.00 0.00 72.50 72.32 3d85 s THR 197 CO 0.03 0.23 0.68 -2.28 -0.54 0.00 0.00 174.62 172.75 3d85 s HIS 198 N -0.78 -0.62 0.51 3.99 2.46 -1.26 -1.57 115.29 118.03 3d85 s HIS 198 Ca 0.08 0.93 0.31 0.00 0.47 0.00 0.00 55.06 56.85 3d85 s HIS 198 Cb -0.09 0.44 1.44 0.00 -0.13 0.00 0.00 32.58 34.25 3d85 s HIS 198 CO 0.02 -0.64 1.82 0.37 -2.47 0.00 0.00 174.74 173.83 3d85 h GLN 199 N 2.77 0.08 -0.01 2.88 4.15 -1.93 -0.25 115.11 122.79 3d85 h GLN 199 Ca -0.28 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.14 3d85 h GLN 199 Cb 1.18 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.85 3d85 h GLN 199 CO 0.38 0.05 -0.05 0.41 -1.93 0.00 0.00 178.83 177.69 3d85 n GLY 200 N -1.69 -0.24 3.50 2.39 0.00 -1.26 -4.84 105.19 103.04 3d85 n GLY 200 Ca 0.23 -0.41 -0.34 0.00 0.00 0.00 0.00 46.02 45.51 3d85 n GLY 200 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3d85 s LEU 201 N -2.12 3.23 0.36 0.99 1.43 -0.11 -4.57 118.68 117.89 3d85 s LEU 201 Ca 0.36 -0.13 0.22 0.00 -1.03 0.00 0.00 54.13 53.55 3d85 s LEU 201 Cb 0.21 -1.77 0.23 0.00 0.03 0.00 0.00 46.19 44.88 3d85 s LEU 201 CO 0.38 0.18 1.44 0.77 0.23 0.00 0.00 176.35 179.35 3d85 h SER 202 N 6.62 0.00 -4.82 2.29 4.64 -1.88 -3.43 113.55 116.97 3d85 h SER 202 Ca -0.32 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 60.83 3d85 h SER 202 Cb 1.19 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 63.06 3d85 h SER 202 CO 0.62 0.04 -0.68 -0.44 -0.87 0.00 0.00 176.83 175.51 3d85 s SER 203 N -6.01 0.19 0.52 4.97 0.01 -1.26 -5.14 113.70 106.98 3d85 s SER 203 Ca 0.05 -0.40 -0.22 0.00 1.31 0.00 0.00 55.95 56.69 3d85 s SER 203 Cb 0.06 0.10 -0.06 0.00 0.21 0.00 0.00 66.02 66.33 3d85 s SER 203 CO 0.71 -0.27 1.19 -2.65 0.41 0.00 0.00 173.24 172.62 3d85 n PRO 204 N 1.77 1.46 -4.38 12.44 -0.02 -1.26 -4.97 135.00 140.04 3d85 n PRO 204 Ca -0.22 0.54 -0.34 0.00 -2.02 0.00 0.00 63.50 61.46 3d85 n PRO 204 Cb 0.56 -2.36 -0.12 0.00 -0.02 0.00 0.00 33.50 31.56 3d85 n PRO 204 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3d85 s VAL 205 N -1.33 3.93 -0.12 -1.45 1.01 -0.22 -4.89 120.40 117.32 3d85 s VAL 205 Ca 0.70 -0.34 0.01 0.00 0.00 0.00 0.00 61.98 62.35 3d85 s VAL 205 Cb -0.45 -2.72 -0.01 0.00 0.00 0.00 0.00 36.38 33.20 3d85 s VAL 205 CO 0.51 0.49 -0.18 -0.89 0.00 0.00 0.00 175.10 175.04 3d85 s THR 206 N 0.37 2.61 -0.05 3.92 2.01 -1.26 0.00 115.64 123.24 3d85 s THR 206 Ca -0.04 -0.82 0.03 0.00 0.31 0.00 0.00 61.69 61.18 3d85 s THR 206 Cb -0.14 -2.06 -0.03 0.00 0.01 0.00 0.00 72.50 70.28 3d85 s THR 206 CO 0.03 0.54 -0.14 -0.54 -0.69 0.00 0.00 174.62 173.82 3d85 s LYS 207 N 0.43 2.55 0.20 4.92 -0.14 -0.44 -4.97 119.74 122.28 3d85 s LYS 207 Ca -0.13 -0.69 -0.12 0.00 -1.36 0.00 0.00 55.97 53.68 3d85 s LYS 207 Cb -0.17 -2.40 0.00 0.00 -1.68 0.00 0.00 37.83 33.58 3d85 s LYS 207 CO 0.06 0.61 0.40 -1.54 -0.76 0.00 0.00 175.35 174.12 3d85 s SER 208 N -0.69 -0.07 0.08 2.83 1.04 -1.26 -1.44 113.70 114.19 3d85 s SER 208 Ca 0.11 -0.82 -0.13 0.00 0.48 0.00 0.00 55.95 55.59 3d85 s SER 208 Cb -0.11 0.52 0.02 0.00 0.10 0.00 0.00 66.02 66.55 3d85 s SER 208 CO 0.01 -1.01 0.30 0.72 0.98 0.00 0.00 173.24 174.24 3d85 s PHE 209 N -3.97 -0.06 -0.15 5.02 -0.12 -0.32 -5.00 117.98 113.39 3d85 s PHE 209 Ca 0.18 -0.23 -0.05 0.00 -0.05 0.00 0.00 56.93 56.78 3d85 s PHE 209 Cb 0.01 0.10 -0.04 0.00 -0.63 0.00 0.00 43.02 42.47 3d85 s PHE 209 CO 0.03 -0.58 0.04 -0.80 -0.05 0.00 0.00 175.22 173.85 3d85 s ASN 210 N -2.56 5.47 0.25 1.98 0.01 -1.26 -1.12 114.94 117.71 3d85 s ASN 210 Ca 0.01 0.10 -0.31 0.00 -0.71 0.00 0.00 52.86 51.95 3d85 s ASN 210 Cb 0.02 -1.82 -0.13 0.00 0.41 0.00 0.00 41.25 39.73 3d85 s ASN 210 CO -0.09 0.25 1.44 -1.14 -1.51 0.00 0.00 177.10 176.05 3d85 n ARG 211 N 3.01 2.14 -3.33 -0.60 0.63 0.23 -3.45 116.66 115.30 3d85 n ARG 211 Ca -0.18 0.76 -0.18 0.00 -0.92 0.00 0.00 57.85 57.33 3d85 n ARG 211 Cb 0.53 -2.44 0.01 0.00 0.45 0.00 0.00 32.46 31.01 3d85 n ARG 211 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3d85 n GLY 212 N 2.16 -0.93 0.00 5.14 0.00 -1.26 -5.01 105.19 105.30 3d85 n GLY 212 Ca 0.11 0.86 0.00 0.00 0.00 0.00 0.00 46.02 47.00 3d85 n GLY 212 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11