#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dy3 s ASP 1 N 0.00 2.89 -0.22 6.12 1.01 -1.26 -4.97 116.67 120.25 3dy3 s ASP 1 Ca 0.00 0.44 -0.08 0.00 0.71 0.00 0.00 52.55 53.61 3dy3 s ASP 1 Cb 0.00 -0.60 -0.04 0.00 1.01 0.00 0.00 42.92 43.29 3dy3 s ASP 1 CO 0.00 -2.89 0.10 -0.63 0.21 0.00 0.00 175.17 171.96 3dy3 s ILE 2 N -3.66 4.89 -0.27 0.77 1.01 -1.26 -4.86 121.20 117.83 3dy3 s ILE 2 Ca 0.71 0.01 -0.02 0.00 0.00 0.00 0.00 60.65 61.36 3dy3 s ILE 2 Cb -0.06 -3.25 0.09 0.00 0.01 0.00 0.00 42.46 39.24 3dy3 s ILE 2 CO 0.53 0.40 0.08 -0.63 0.00 0.00 0.00 174.94 175.32 3dy3 s ILE 3 N 0.85 0.64 0.12 2.92 -1.09 -1.26 -1.45 121.20 121.94 3dy3 s ILE 3 Ca 0.05 -1.04 0.09 0.00 -2.23 0.00 0.00 60.65 57.52 3dy3 s ILE 3 Cb -0.13 -1.37 -0.04 0.00 -1.58 0.00 0.00 42.46 39.33 3dy3 s ILE 3 CO 0.03 -0.53 -0.18 -0.76 -1.23 0.00 0.00 174.94 172.27 3dy3 s LEU 4 N 1.76 2.71 -0.15 2.97 1.43 -0.21 -2.46 118.68 124.73 3dy3 s LEU 4 Ca 0.06 -0.57 -0.13 0.00 -1.03 0.00 0.00 54.13 52.46 3dy3 s LEU 4 Cb -0.17 -1.54 0.04 0.00 0.03 0.00 0.00 46.19 44.55 3dy3 s LEU 4 CO -0.21 0.17 0.40 -0.83 0.23 0.00 0.00 176.35 176.10 3dy3 s GLY 5 N -2.22 -0.30 -0.08 -3.19 0.00 -0.20 -1.44 107.32 99.90 3dy3 s GLY 5 Ca 0.19 1.17 -0.03 0.00 0.00 0.00 0.00 44.72 46.04 3dy3 s GLY 5 CO 0.11 1.06 0.16 -1.50 0.00 0.00 0.00 173.10 172.93 3dy3 s ILE 6 N 0.38 -0.12 -0.37 0.90 2.07 -0.01 -0.64 121.20 123.40 3dy3 s ILE 6 Ca -0.01 0.23 -0.14 0.00 -1.41 0.00 0.00 60.65 59.32 3dy3 s ILE 6 Cb -0.04 -0.28 -0.00 0.00 0.13 0.00 0.00 42.46 42.27 3dy3 s ILE 6 CO -0.01 0.09 0.27 -0.60 -1.91 0.00 0.00 174.94 172.78 3dy3 s ARG 7 N 1.53 3.31 0.00 3.50 3.52 0.46 -0.26 118.95 131.01 3dy3 s ARG 7 Ca -0.06 -0.76 0.00 0.00 -0.13 0.00 0.00 55.73 54.78 3dy3 s ARG 7 Cb -0.12 -3.87 0.00 0.00 -1.56 0.00 0.00 34.95 29.40 3dy3 s ARG 7 CO -0.06 -0.56 0.00 1.33 -0.81 0.00 0.00 175.30 175.20 3dy3 n VAL 8 N 5.14 0.00 0.16 7.11 0.24 -0.24 -4.83 118.33 125.91 3dy3 n VAL 8 Ca -0.12 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.04 3dy3 n VAL 8 Cb 0.49 -0.27 -0.08 0.00 -1.47 0.00 0.00 33.84 32.51 3dy3 n VAL 8 CO 0.00 0.00 0.00 -0.61 -2.14 0.00 0.00 176.83 174.08 3dy3 h GLN 9 N 0.00 -0.39 -0.19 7.34 5.75 -1.18 -3.38 115.11 123.06 3dy3 h GLN 9 Ca 0.00 0.03 -0.18 0.00 -0.15 0.00 0.00 58.65 58.34 3dy3 h GLN 9 Cb 0.00 0.09 -0.25 0.00 1.07 0.00 0.00 27.48 28.39 3dy3 h GLN 9 CO 0.00 -0.11 -0.80 -0.25 -2.65 0.00 0.00 178.83 175.02 3dy3 n ASP 10 N -5.16 2.04 -3.61 -0.69 8.00 -1.26 -4.60 116.55 111.26 3dy3 n ASP 10 Ca -0.10 -3.05 0.01 0.00 0.71 0.00 0.00 54.79 52.36 3dy3 n ASP 10 Cb 0.24 -0.42 -0.01 0.00 -0.02 0.00 0.00 41.12 40.92 3dy3 n ASP 10 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3dy3 s SER 11 N -3.01 -0.06 -0.04 -2.24 1.04 -1.26 -4.41 113.70 103.73 3dy3 s SER 11 Ca 0.38 -0.10 0.06 0.00 0.48 0.00 0.00 55.95 56.76 3dy3 s SER 11 Cb 0.38 0.14 -0.01 0.00 0.10 0.00 0.00 66.02 66.62 3dy3 s SER 11 CO -0.08 -0.25 -0.22 -0.69 0.98 0.00 0.00 173.24 172.98 3dy3 s VAL 12 N -2.37 1.77 -0.12 5.02 1.01 -0.51 -1.07 120.40 124.13 3dy3 s VAL 12 Ca 0.14 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.20 3dy3 s VAL 12 Cb 0.04 -1.49 -0.02 0.00 0.00 0.00 0.00 36.38 34.92 3dy3 s VAL 12 CO -0.04 0.50 -0.13 -0.63 0.00 0.00 0.00 175.10 174.79 3dy3 s ILE 13 N -0.23 3.03 -0.11 2.22 1.01 0.65 -1.47 121.20 126.30 3dy3 s ILE 13 Ca 0.01 -0.68 0.04 0.00 0.00 0.00 0.00 60.65 60.01 3dy3 s ILE 13 Cb -0.11 -2.26 0.00 0.00 0.01 0.00 0.00 42.46 40.10 3dy3 s ILE 13 CO 0.02 0.54 -0.24 -0.76 0.00 0.00 0.00 174.94 174.49 3dy3 s LEU 14 N 0.18 2.10 -0.09 2.97 1.43 -0.43 -0.83 118.68 124.00 3dy3 s LEU 14 Ca -0.08 -0.57 0.05 0.00 -1.03 0.00 0.00 54.13 52.50 3dy3 s LEU 14 Cb -0.15 -1.42 -0.00 0.00 0.03 0.00 0.00 46.19 44.65 3dy3 s LEU 14 CO 0.05 0.15 -0.24 0.00 0.23 0.00 0.00 176.35 176.54 3dy3 s ALA 15 N 0.40 2.17 -0.03 4.21 0.00 -0.52 -0.95 121.76 127.05 3dy3 s ALA 15 Ca -0.17 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 50.80 3dy3 s ALA 15 Cb -0.18 -0.78 0.03 0.00 0.00 0.00 0.00 23.12 22.20 3dy3 s ALA 15 CO 0.08 0.32 0.01 -1.12 0.00 0.00 0.00 175.76 175.05 3dy3 s SER 16 N 0.21 0.43 0.55 0.00 0.01 -0.69 -1.05 113.70 113.16 3dy3 s SER 16 Ca -0.15 -0.01 -0.21 0.00 1.31 0.00 0.00 55.95 56.89 3dy3 s SER 16 Cb -0.17 -0.20 -0.06 0.00 0.21 0.00 0.00 66.02 65.81 3dy3 s SER 16 CO 0.08 -0.11 1.13 -1.54 0.41 0.00 0.00 173.24 173.20 3dy3 n SER 17 N 4.23 1.62 0.00 2.44 3.41 -0.53 -0.84 113.62 123.95 3dy3 n SER 17 Ca -0.25 0.91 0.11 0.00 -0.26 0.00 0.00 58.87 59.38 3dy3 n SER 17 Cb 0.50 -1.46 -0.03 0.00 -0.26 0.00 0.00 64.21 62.96 3dy3 n SER 17 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3dy3 n LYS 18 N -0.84 0.09 -2.52 4.33 5.02 -0.14 -4.63 118.16 119.47 3dy3 n LYS 18 Ca 0.12 -0.01 -0.40 0.00 -2.02 0.00 0.00 58.31 56.00 3dy3 n LYS 18 Cb 0.45 -1.51 -0.04 0.00 -0.02 0.00 0.00 35.03 33.90 3dy3 n LYS 18 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3dy3 s ALA 19 N -3.07 3.34 -0.32 7.82 0.00 -0.82 -1.14 121.76 127.57 3dy3 s ALA 19 Ca 0.07 0.83 0.00 0.00 0.00 0.00 0.00 51.96 52.86 3dy3 s ALA 19 Cb 0.16 -3.30 0.10 0.00 0.00 0.00 0.00 23.12 20.08 3dy3 s ALA 19 CO 0.83 -0.13 0.09 0.08 0.00 0.00 0.00 175.76 176.63 3dy3 s VAL 20 N -1.26 1.19 -0.14 0.00 1.01 -0.43 -4.92 120.40 115.85 3dy3 s VAL 20 Ca 0.47 -1.62 -0.06 0.00 0.00 0.00 0.00 61.98 60.76 3dy3 s VAL 20 Cb -0.29 -1.90 -0.04 0.00 0.00 0.00 0.00 36.38 34.15 3dy3 s VAL 20 CO 0.37 -0.66 0.09 -0.89 0.00 0.00 0.00 175.10 174.01 3dy3 s THR 21 N 1.45 5.03 -0.49 3.92 2.01 -1.26 -0.20 115.64 126.10 3dy3 s THR 21 Ca 0.10 0.04 0.03 0.00 0.31 0.00 0.00 61.69 62.17 3dy3 s THR 21 Cb -0.18 -3.21 0.14 0.00 0.01 0.00 0.00 72.50 69.27 3dy3 s THR 21 CO -0.21 0.55 0.29 -0.13 -0.69 0.00 0.00 174.62 174.43 3dy3 s ARG 22 N -0.45 1.52 5.05 4.92 1.81 0.50 -4.91 118.95 127.38 3dy3 s ARG 22 Ca 0.10 -2.29 0.00 0.00 -1.72 0.00 0.00 55.73 51.82 3dy3 s ARG 22 Cb -0.12 -2.54 0.00 0.00 -0.45 0.00 0.00 34.95 31.84 3dy3 s ARG 22 CO 0.02 -1.19 0.00 0.41 -0.68 0.00 0.00 175.30 173.85 3dy3 n GLY 23 N 3.19 1.66 0.11 -3.53 0.00 -1.26 -3.12 105.19 102.24 3dy3 n GLY 23 Ca 0.12 -0.04 0.10 0.00 0.00 0.00 0.00 46.02 46.20 3dy3 n GLY 23 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3dy3 n ILE 24 N 0.00 0.66 -4.70 -0.61 3.06 -1.26 -4.94 119.36 111.57 3dy3 n ILE 24 Ca 0.00 -0.56 -0.30 0.00 -2.50 0.00 0.00 62.75 59.38 3dy3 n ILE 24 Cb 0.00 -0.37 -0.13 0.00 0.54 0.00 0.00 39.64 39.68 3dy3 n ILE 24 CO 0.00 0.00 0.00 -0.44 -2.50 0.00 0.00 176.55 173.61 3dy3 s SER 25 N -5.37 3.61 -0.50 9.51 0.01 -1.18 -5.08 113.70 114.70 3dy3 s SER 25 Ca -0.01 -0.49 -0.20 0.00 1.31 0.00 0.00 55.95 56.55 3dy3 s SER 25 Cb 0.10 -0.50 0.05 0.00 0.21 0.00 0.00 66.02 65.87 3dy3 s SER 25 CO 0.80 0.25 0.67 -0.69 0.41 0.00 0.00 173.24 174.68 3dy3 s VAL 26 N -0.91 4.79 0.20 3.43 1.01 -1.26 -0.37 120.40 127.29 3dy3 s VAL 26 Ca 0.14 -0.25 0.03 0.00 0.00 0.00 0.00 61.98 61.91 3dy3 s VAL 26 Cb -0.10 -4.31 -0.10 0.00 0.00 0.00 0.00 36.38 31.86 3dy3 s VAL 26 CO 0.05 -0.80 1.46 -0.07 0.00 0.00 0.00 175.10 175.73 3dy3 h LEU 27 N 9.89 0.26 -7.85 3.92 3.38 -0.94 -3.47 115.31 120.49 3dy3 h LEU 27 Ca -0.27 -0.18 -0.10 0.00 0.09 0.00 0.00 57.88 57.42 3dy3 h LEU 27 Cb 1.09 -0.08 -0.15 0.00 0.09 0.00 0.00 40.66 41.61 3dy3 h LEU 27 CO 0.97 0.92 -0.43 -0.75 0.09 0.00 0.00 178.44 179.24 3dy3 s LYS 28 N -3.45 0.76 -0.02 1.13 2.20 -1.08 -5.00 119.74 114.27 3dy3 s LYS 28 Ca -0.03 -0.89 0.03 0.00 -0.36 0.00 0.00 55.97 54.71 3dy3 s LYS 28 Cb 0.11 0.30 0.04 0.00 -1.51 0.00 0.00 37.83 36.77 3dy3 s LYS 28 CO 0.81 -0.22 0.94 -0.40 -0.36 0.00 0.00 175.35 176.13 3dy3 n ASP 29 N 0.21 0.38 -2.80 1.43 3.85 -1.25 -1.32 116.55 117.04 3dy3 n ASP 29 Ca -0.16 -1.99 -0.02 0.00 -0.71 0.00 0.00 54.79 51.91 3dy3 n ASP 29 Cb 0.61 -0.19 0.05 0.00 -1.35 0.00 0.00 41.12 40.23 3dy3 n ASP 29 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65 3dy3 n SER 30 N -0.21 1.46 -4.69 -1.12 3.41 -1.06 -4.57 113.62 106.83 3dy3 n SER 30 Ca 0.02 -2.15 -0.40 0.00 -0.26 0.00 0.00 58.87 56.09 3dy3 n SER 30 Cb 0.65 -0.46 -0.05 0.00 -0.26 0.00 0.00 64.21 64.09 3dy3 n SER 30 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3dy3 s ASP 31 N -3.62 6.80 -0.68 4.04 -1.08 -0.29 -5.01 116.67 116.83 3dy3 s ASP 31 Ca 0.27 0.97 -0.19 0.00 -0.52 0.00 0.00 52.55 53.08 3dy3 s ASP 31 Cb 0.35 -2.36 0.12 0.00 -1.46 0.00 0.00 42.92 39.57 3dy3 s ASP 31 CO -0.03 -0.17 0.80 -0.62 0.52 0.00 0.00 175.17 175.67 3dy3 s ASP 32 N 0.94 6.32 -0.68 -0.34 3.68 -1.26 -4.28 116.67 121.05 3dy3 s ASP 32 Ca 0.32 -1.66 -0.08 0.00 2.13 0.00 0.00 52.55 53.26 3dy3 s ASP 32 Cb -0.16 -2.31 -0.19 0.00 -1.45 0.00 0.00 42.92 38.80 3dy3 s ASP 32 CO 0.13 -1.07 3.35 0.29 0.13 0.00 0.00 175.17 178.00 3dy3 n LYS 33 N 6.18 2.72 -3.69 4.34 5.02 -1.26 -4.84 118.16 126.62 3dy3 n LYS 33 Ca -0.01 -1.51 -0.13 0.00 -2.02 0.00 0.00 58.31 54.64 3dy3 n LYS 33 Cb 0.44 -2.34 -0.07 0.00 -0.02 0.00 0.00 35.03 33.05 3dy3 n LYS 33 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 3dy3 s THR 34 N 1.47 0.06 0.03 -0.18 -1.32 -1.26 -1.95 115.64 112.48 3dy3 s THR 34 Ca 0.68 -0.49 0.03 0.00 -1.21 0.00 0.00 61.69 60.70 3dy3 s THR 34 Cb 0.26 -0.91 -0.02 0.00 -1.51 0.00 0.00 72.50 70.32 3dy3 s THR 34 CO -0.03 -0.27 -0.09 -0.13 -2.21 0.00 0.00 174.62 171.89 3dy3 s ARG 35 N -2.33 0.64 -0.34 7.08 1.81 -0.31 -5.00 118.95 120.50 3dy3 s ARG 35 Ca -0.06 -0.59 -0.17 0.00 -1.72 0.00 0.00 55.73 53.19 3dy3 s ARG 35 Cb -0.01 -0.55 -0.01 0.00 -0.45 0.00 0.00 34.95 33.93 3dy3 s ARG 35 CO -0.01 0.13 0.48 -1.14 -0.68 0.00 0.00 175.30 174.08 3dy3 s GLN 36 N -0.99 3.63 0.12 3.54 0.74 -1.26 -1.24 119.66 124.21 3dy3 s GLN 36 Ca -0.03 -0.19 0.04 0.00 0.05 0.00 0.00 55.36 55.23 3dy3 s GLN 36 Cb -0.07 -3.80 -0.17 0.00 1.10 0.00 0.00 33.01 30.07 3dy3 s GLN 36 CO 0.00 -0.61 1.28 -0.07 -0.55 0.00 0.00 175.29 175.35 3dy3 h LEU 37 N 9.01 0.14 -7.17 3.68 3.38 -1.53 -3.48 115.31 119.34 3dy3 h LEU 37 Ca -0.28 -0.14 0.07 0.00 0.09 0.00 0.00 57.88 57.62 3dy3 h LEU 37 Cb 1.13 -0.04 -0.12 0.00 0.09 0.00 0.00 40.66 41.71 3dy3 h LEU 37 CO 0.75 1.07 0.38 -0.94 0.09 0.00 0.00 178.44 179.79 3dy3 s SER 38 N -6.85 -0.40 0.49 -0.43 1.04 -1.09 -4.23 113.70 102.22 3dy3 s SER 38 Ca -0.01 -0.10 0.39 0.00 0.48 0.00 0.00 55.95 56.71 3dy3 s SER 38 Cb 0.09 0.50 1.58 0.00 0.10 0.00 0.00 66.02 68.30 3dy3 s SER 38 CO 0.83 -0.83 1.59 1.55 0.98 0.00 0.00 173.24 177.36 3dy3 h PRO 39 N 2.00 0.01 -0.09 4.02 0.13 -2.01 0.31 132.00 136.37 3dy3 h PRO 39 Ca -0.26 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 3dy3 h PRO 39 Cb 1.26 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 3dy3 h PRO 39 CO 0.32 0.01 0.00 0.72 -0.23 0.00 0.00 178.00 178.82 3dy3 n HIS 40 N -4.43 0.29 -3.97 1.56 8.25 -1.26 -3.69 115.22 111.98 3dy3 n HIS 40 Ca 0.41 -0.86 -0.21 0.00 -0.26 0.00 0.00 57.72 56.80 3dy3 n HIS 40 Cb 1.72 -0.17 -0.17 0.00 1.12 0.00 0.00 29.99 32.49 3dy3 n HIS 40 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3dy3 s THR 41 N -2.48 0.41 -0.00 1.59 2.01 0.10 -1.29 115.64 115.98 3dy3 s THR 41 Ca 0.30 0.01 0.07 0.00 0.31 0.00 0.00 61.69 62.37 3dy3 s THR 41 Cb 0.25 -0.50 -0.02 0.00 0.01 0.00 0.00 72.50 72.24 3dy3 s THR 41 CO 0.05 0.23 -0.21 -0.22 -0.69 0.00 0.00 174.62 173.78 3dy3 s LEU 42 N 1.35 2.07 -0.09 4.42 2.96 0.35 -1.23 118.68 128.52 3dy3 s LEU 42 Ca -0.04 -0.41 0.02 0.00 -0.22 0.00 0.00 54.13 53.48 3dy3 s LEU 42 Cb -0.13 -1.05 0.01 0.00 0.50 0.00 0.00 46.19 45.52 3dy3 s LEU 42 CO -0.02 0.23 -0.14 -0.32 -1.32 0.00 0.00 176.35 174.78 3dy3 s MET 43 N -0.64 1.94 0.23 1.98 -2.45 -0.37 -0.31 119.30 119.67 3dy3 s MET 43 Ca 0.08 -0.47 0.05 0.00 -1.25 0.00 0.00 55.69 54.10 3dy3 s MET 43 Cb -0.08 -1.63 -0.03 0.00 1.25 0.00 0.00 34.83 34.33 3dy3 s MET 43 CO -0.00 -0.02 0.29 -1.54 1.05 0.00 0.00 175.02 174.80 3dy3 s SER 44 N 0.84 6.03 0.09 1.11 1.04 -0.03 -1.16 113.70 121.62 3dy3 s SER 44 Ca -0.11 -0.03 -0.21 0.00 0.48 0.00 0.00 55.95 56.08 3dy3 s SER 44 Cb -0.15 -1.70 0.05 0.00 0.10 0.00 0.00 66.02 64.32 3dy3 s SER 44 CO 0.01 -0.04 0.51 0.72 0.98 0.00 0.00 173.24 175.42 3dy3 s PHE 45 N -1.99 -0.40 0.04 5.02 -0.12 -0.82 -1.69 117.98 118.02 3dy3 s PHE 45 Ca 0.33 0.30 -0.21 0.00 -0.05 0.00 0.00 56.93 57.31 3dy3 s PHE 45 Cb -0.09 0.37 0.05 0.00 -0.63 0.00 0.00 43.02 42.71 3dy3 s PHE 45 CO 0.27 -0.70 0.48 0.00 -0.05 0.00 0.00 175.22 175.22 3dy3 s ALA 46 N -3.04 -1.20 0.00 1.99 0.00 -0.56 -4.87 121.76 114.08 3dy3 s ALA 46 Ca -0.02 0.50 0.00 0.00 0.00 0.00 0.00 51.96 52.44 3dy3 s ALA 46 Cb -0.00 0.35 0.00 0.00 0.00 0.00 0.00 23.12 23.47 3dy3 s ALA 46 CO -0.07 -0.48 0.00 0.41 0.00 0.00 0.00 175.76 175.63 3dy3 n GLY 47 N 0.48 0.37 3.62 0.00 0.00 -1.26 -0.62 105.19 107.78 3dy3 n GLY 47 Ca -0.18 -1.36 -0.43 0.00 0.00 0.00 0.00 46.02 44.05 3dy3 n GLY 47 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3dy3 n GLU 48 N 0.00 1.48 -0.09 1.61 4.07 0.95 -4.85 120.64 123.81 3dy3 n GLU 48 Ca 0.00 0.53 -0.04 0.00 -0.06 0.00 0.00 57.16 57.59 3dy3 n GLU 48 Cb 0.00 -2.02 -0.03 0.00 -0.06 0.00 0.00 31.44 29.33 3dy3 n GLU 48 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3dy3 h ALA 49 N 1.85 -0.26 0.15 4.31 0.00 -2.00 -2.63 119.26 120.69 3dy3 h ALA 49 Ca -0.43 0.02 -0.23 0.00 0.00 0.00 0.00 54.91 54.27 3dy3 h ALA 49 Cb 1.33 1.01 0.03 0.00 0.00 0.00 0.00 17.79 20.15 3dy3 h ALA 49 CO 0.59 -0.37 -0.99 0.78 0.00 0.00 0.00 179.25 179.26 3dy3 h GLY 50 N -0.04 0.45 -0.26 0.00 0.00 -1.98 -3.36 103.07 97.88 3dy3 h GLY 50 Ca 0.04 -1.10 0.23 0.00 0.00 0.00 0.00 47.33 46.50 3dy3 h GLY 50 CO -0.24 0.96 0.39 -0.55 0.00 0.00 0.00 176.54 177.11 3dy3 h ASP 51 N -0.17 0.31 -0.11 0.19 3.32 -1.92 -2.78 116.42 115.27 3dy3 h ASP 51 Ca -0.17 0.16 0.01 0.00 0.02 0.00 0.00 57.03 57.06 3dy3 h ASP 51 Cb 1.76 0.15 -0.02 0.00 0.22 0.00 0.00 39.33 41.44 3dy3 h ASP 51 CO 0.19 -0.03 -0.13 0.74 -1.72 0.00 0.00 179.24 178.28 3dy3 h THR 52 N 0.37 0.00 -0.29 0.35 2.02 -1.62 0.16 112.91 113.91 3dy3 h THR 52 Ca 0.58 0.00 -0.15 0.00 0.77 0.00 0.00 66.41 67.60 3dy3 h THR 52 Cb 1.13 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 3dy3 h THR 52 CO -0.55 0.00 -0.44 0.58 0.37 0.00 0.00 175.52 175.48 3dy3 h VAL 53 N -0.09 1.29 -0.84 3.16 2.07 -1.78 -2.29 116.25 117.77 3dy3 h VAL 53 Ca 0.02 -1.63 0.07 0.00 0.82 0.00 0.00 66.70 65.99 3dy3 h VAL 53 Cb 0.14 1.54 -0.07 0.00 -1.52 0.00 0.00 31.29 31.38 3dy3 h VAL 53 CO -0.15 0.52 0.50 1.56 0.02 0.00 0.00 177.57 180.03 3dy3 h GLN 54 N 0.59 0.86 -0.05 1.57 1.08 -1.31 0.52 115.11 118.37 3dy3 h GLN 54 Ca 0.04 -0.05 -0.02 0.00 -1.45 0.00 0.00 58.65 57.17 3dy3 h GLN 54 Cb 0.99 -0.19 -0.00 0.00 -0.05 0.00 0.00 27.48 28.23 3dy3 h GLN 54 CO 0.09 0.57 -0.04 0.35 -0.95 0.00 0.00 178.83 178.86 3dy3 h PHE 55 N 0.89 0.12 -0.28 2.96 3.04 -0.57 -2.20 116.94 120.91 3dy3 h PHE 55 Ca 0.38 -0.03 0.04 0.00 3.98 0.00 0.00 57.97 62.34 3dy3 h PHE 55 Cb 0.25 -0.03 -0.04 0.00 2.56 0.00 0.00 35.95 38.69 3dy3 h PHE 55 CO -0.04 0.54 0.02 0.00 -2.02 0.00 0.00 178.31 176.81 3dy3 h ALA 56 N 0.57 0.26 -0.30 2.41 0.00 -0.99 -0.46 119.26 120.74 3dy3 h ALA 56 Ca 0.01 0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 3dy3 h ALA 56 Cb 0.51 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 3dy3 h ALA 56 CO 0.01 -0.39 -0.12 0.93 0.00 0.00 0.00 179.25 179.68 3dy3 h GLU 57 N 0.11 0.51 -0.57 0.00 5.08 -0.95 -0.32 114.58 118.44 3dy3 h GLU 57 Ca 0.13 -0.15 -0.06 0.00 -1.00 0.00 0.00 59.36 58.28 3dy3 h GLU 57 Cb 0.16 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 3dy3 h GLU 57 CO -0.20 0.63 0.12 -0.92 -1.00 0.00 0.00 179.01 177.63 3dy3 h TYR 58 N 0.47 0.99 -0.20 4.33 3.20 -0.82 -0.20 116.97 124.74 3dy3 h TYR 58 Ca 0.09 -0.13 -0.03 0.00 3.14 0.00 0.00 58.73 61.80 3dy3 h TYR 58 Cb 0.49 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.48 3dy3 h TYR 58 CO 0.02 0.86 0.01 0.82 -1.64 0.00 0.00 178.16 178.22 3dy3 h ILE 59 N 0.83 1.25 0.06 1.81 1.08 -0.68 -2.60 117.51 119.26 3dy3 h ILE 59 Ca 0.18 -0.85 0.03 0.00 -0.39 0.00 0.00 64.86 63.82 3dy3 h ILE 59 Cb 0.38 1.42 -0.05 0.00 -3.07 0.00 0.00 36.82 35.51 3dy3 h ILE 59 CO 0.01 0.26 -0.34 -0.61 -0.69 0.00 0.00 178.15 176.77 3dy3 h GLN 60 N 0.11 -0.52 -0.80 2.37 4.15 -0.83 -0.93 115.11 118.66 3dy3 h GLN 60 Ca 0.06 0.04 0.17 0.00 0.77 0.00 0.00 58.65 59.68 3dy3 h GLN 60 Cb 0.38 0.12 -0.11 0.00 0.21 0.00 0.00 27.48 28.08 3dy3 h GLN 60 CO 0.01 -0.34 0.31 0.00 -1.93 0.00 0.00 178.83 176.87 3dy3 h ALA 61 N 0.11 1.15 -0.49 3.38 0.00 -1.02 -0.35 119.26 122.05 3dy3 h ALA 61 Ca 0.04 0.14 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 3dy3 h ALA 61 Cb 0.59 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 3dy3 h ALA 61 CO -0.24 -0.26 -0.07 -0.91 0.00 0.00 0.00 179.25 177.77 3dy3 h ASN 62 N 0.41 0.90 -0.25 0.00 4.21 -0.92 -1.59 115.58 118.33 3dy3 h ASN 62 Ca 0.46 -0.34 -0.11 0.00 1.21 0.00 0.00 56.30 57.52 3dy3 h ASN 62 Cb 0.76 -0.24 -0.01 0.00 -1.12 0.00 0.00 38.32 37.70 3dy3 h ASN 62 CO -0.46 1.03 -0.23 0.40 -1.29 0.00 0.00 177.43 176.88 3dy3 h ILE 63 N 0.76 1.27 -0.47 2.81 1.08 -0.40 -1.21 117.51 121.35 3dy3 h ILE 63 Ca 0.13 -1.33 -0.06 0.00 -0.39 0.00 0.00 64.86 63.21 3dy3 h ILE 63 Cb 0.61 1.23 -0.02 0.00 -3.07 0.00 0.00 36.82 35.57 3dy3 h ILE 63 CO 0.04 0.44 0.04 1.56 -0.69 0.00 0.00 178.15 179.54 3dy3 h GLN 64 N 0.64 0.75 -0.25 2.37 4.20 -0.96 -0.96 115.11 120.89 3dy3 h GLN 64 Ca 0.09 -0.18 -0.03 0.00 0.06 0.00 0.00 58.65 58.59 3dy3 h GLN 64 Cb 0.72 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.39 3dy3 h GLN 64 CO 0.06 0.73 0.03 1.25 -0.67 0.00 0.00 178.83 180.23 3dy3 h LEU 65 N 0.71 0.41 -0.69 1.46 5.85 -0.86 -2.22 115.31 119.98 3dy3 h LEU 65 Ca 0.15 -0.28 0.03 0.00 0.84 0.00 0.00 57.88 58.63 3dy3 h LEU 65 Cb 0.37 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.25 3dy3 h LEU 65 CO 0.01 0.59 0.42 0.22 -0.34 0.00 0.00 178.44 179.34 3dy3 h TYR 66 N 0.23 0.79 -0.07 1.25 3.20 -0.87 -1.40 116.97 120.10 3dy3 h TYR 66 Ca 0.08 0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.00 3dy3 h TYR 66 Cb 0.36 -0.26 -0.03 0.00 1.54 0.00 0.00 36.73 38.34 3dy3 h TYR 66 CO 0.03 0.44 -0.11 0.77 -1.64 0.00 0.00 178.16 177.65 3dy3 h SER 67 N 0.82 -0.32 -0.26 -2.11 0.02 -1.01 -0.73 113.55 109.97 3dy3 h SER 67 Ca 0.28 0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 61.27 3dy3 h SER 67 Cb 0.04 0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 3dy3 h SER 67 CO -0.12 -0.15 0.09 0.40 -1.14 0.00 0.00 176.83 175.91 3dy3 h ILE 68 N -0.15 1.19 -0.80 3.27 2.04 -1.09 1.17 117.51 123.14 3dy3 h ILE 68 Ca 0.06 -0.59 0.02 0.00 1.00 0.00 0.00 64.86 65.35 3dy3 h ILE 68 Cb 0.24 1.09 -0.05 0.00 -0.74 0.00 0.00 36.82 37.36 3dy3 h ILE 68 CO -0.15 0.20 0.52 -0.09 0.00 0.00 0.00 178.15 178.62 3dy3 h ARG 69 N 0.26 1.00 -0.01 2.37 2.43 -1.10 -2.91 114.38 116.41 3dy3 h ARG 69 Ca 0.08 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 3dy3 h ARG 69 Cb 0.22 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 3dy3 h ARG 69 CO -0.00 0.66 -0.56 0.39 -1.51 0.00 0.00 179.97 178.95 3dy3 n GLU 70 N -4.57 0.88 -3.88 0.20 4.71 -0.29 -4.97 120.64 112.72 3dy3 n GLU 70 Ca 0.09 -0.70 -0.31 0.00 -0.01 0.00 0.00 57.16 56.23 3dy3 n GLU 70 Cb 0.06 -1.49 0.01 0.00 -1.01 0.00 0.00 31.44 29.01 3dy3 n GLU 70 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 3dy3 n ASP 71 N -0.44 -2.61 -3.48 1.62 4.64 0.40 -4.94 116.55 111.72 3dy3 n ASP 71 Ca 0.08 -1.06 -0.14 0.00 -1.38 0.00 0.00 54.79 52.29 3dy3 n ASP 71 Cb 0.42 -2.95 -0.04 0.00 -1.04 0.00 0.00 41.12 37.51 3dy3 n ASP 71 CO 0.00 0.00 0.00 -0.47 -0.82 0.00 0.00 177.20 175.91 3dy3 s TYR 72 N -3.74 -0.56 -0.31 -0.67 5.04 -1.02 -5.05 117.35 111.04 3dy3 s TYR 72 Ca 0.24 0.70 -0.07 0.00 -2.44 0.00 0.00 57.07 55.51 3dy3 s TYR 72 Cb -0.10 0.48 0.02 0.00 0.35 0.00 0.00 41.96 42.71 3dy3 s TYR 72 CO 0.89 -0.67 0.09 -2.00 -1.34 0.00 0.00 175.55 172.52 3dy3 s GLU 73 N -2.33 2.90 0.47 4.97 2.12 -1.26 -4.11 118.70 121.46 3dy3 s GLU 73 Ca -0.04 -0.99 -0.23 0.00 0.36 0.00 0.00 54.97 54.07 3dy3 s GLU 73 Cb -0.01 -3.41 -0.08 0.00 0.26 0.00 0.00 34.13 30.89 3dy3 s GLU 73 CO -0.01 -0.53 1.14 1.28 -0.54 0.00 0.00 175.26 176.59 3dy3 n LEU 74 N 4.85 3.67 -4.70 2.70 4.77 -1.26 -4.94 117.00 122.09 3dy3 n LEU 74 Ca -0.14 1.01 -0.31 0.00 -0.03 0.00 0.00 56.01 56.54 3dy3 n LEU 74 Cb 0.47 -1.44 0.15 0.00 -2.33 0.00 0.00 43.42 40.26 3dy3 n LEU 74 CO 0.32 -1.15 0.69 -0.94 -1.33 0.00 0.00 177.39 174.97 3dy3 s SER 75 N -0.78 3.33 0.22 -1.43 1.04 -1.26 -4.74 113.70 110.08 3dy3 s SER 75 Ca 0.66 2.10 -0.09 0.00 0.48 0.00 0.00 55.95 59.10 3dy3 s SER 75 Cb -0.50 -2.56 0.21 0.00 0.10 0.00 0.00 66.02 63.28 3dy3 s SER 75 CO 0.54 -2.83 1.86 -0.65 0.98 0.00 0.00 173.24 173.15 3dy3 h PRO 76 N -1.66 0.91 -0.73 4.02 0.11 -1.92 -0.75 132.00 131.98 3dy3 h PRO 76 Ca -0.43 -0.05 0.04 0.00 0.11 0.00 0.00 66.00 65.66 3dy3 h PRO 76 Cb 1.26 -0.21 -0.05 0.00 0.11 0.00 0.00 31.00 32.12 3dy3 h PRO 76 CO 0.44 0.60 0.45 0.37 -0.21 0.00 0.00 178.00 179.65 3dy3 h GLN 77 N 0.94 0.84 -0.46 1.05 -0.00 -1.98 0.87 115.11 116.37 3dy3 h GLN 77 Ca 0.30 -0.05 -0.07 0.00 -0.00 0.00 0.00 58.65 58.83 3dy3 h GLN 77 Cb 0.00 -0.19 -0.02 0.00 0.00 0.00 0.00 27.48 27.28 3dy3 h GLN 77 CO -0.11 0.55 0.01 0.00 0.00 0.00 0.00 178.83 179.28 3dy3 h ALA 78 N 1.32 0.62 -0.75 3.38 0.00 -1.73 -1.22 119.26 120.88 3dy3 h ALA 78 Ca 0.30 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 3dy3 h ALA 78 Cb 0.06 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3dy3 h ALA 78 CO -0.13 0.41 0.32 0.28 0.00 0.00 0.00 179.25 180.13 3dy3 h VAL 79 N 0.65 1.25 -0.07 0.00 2.07 -0.61 -1.82 116.25 117.73 3dy3 h VAL 79 Ca 0.13 -0.76 -0.09 0.00 0.82 0.00 0.00 66.70 66.80 3dy3 h VAL 79 Cb 0.49 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 3dy3 h VAL 79 CO 0.02 0.31 -0.38 0.77 0.02 0.00 0.00 177.57 178.31 3dy3 h SER 80 N 1.07 0.14 -0.26 0.57 4.64 -0.59 -1.81 113.55 117.31 3dy3 h SER 80 Ca 0.25 -0.05 -0.18 0.00 -0.47 0.00 0.00 61.79 61.34 3dy3 h SER 80 Cb 0.18 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 62.23 3dy3 h SER 80 CO -0.02 0.52 -0.51 0.28 -0.87 0.00 0.00 176.83 176.23 3dy3 h SER 81 N 0.12 0.93 -0.39 4.97 0.02 -0.79 -1.27 113.55 117.14 3dy3 h SER 81 Ca 0.01 -0.48 -0.01 0.00 -0.84 0.00 0.00 61.79 60.48 3dy3 h SER 81 Cb 0.73 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.99 3dy3 h SER 81 CO 0.05 1.26 0.20 0.15 -1.14 0.00 0.00 176.83 177.36 3dy3 h PHE 82 N 0.66 0.54 -0.53 3.45 3.04 -1.08 -1.44 116.94 121.57 3dy3 h PHE 82 Ca 0.03 -0.02 -0.06 0.00 3.98 0.00 0.00 57.97 61.90 3dy3 h PHE 82 Cb 1.10 -0.17 -0.02 0.00 2.56 0.00 0.00 35.95 39.42 3dy3 h PHE 82 CO 0.07 0.43 0.10 0.28 -2.02 0.00 0.00 178.31 177.16 3dy3 h VAL 83 N 0.49 1.23 -0.19 1.41 2.07 -1.21 -1.86 116.25 118.19 3dy3 h VAL 83 Ca 0.13 -0.86 -0.02 0.00 0.82 0.00 0.00 66.70 66.77 3dy3 h VAL 83 Cb 0.07 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 3dy3 h VAL 83 CO -0.02 0.32 0.02 -0.09 0.02 0.00 0.00 177.57 177.82 3dy3 h ARG 84 N 0.79 0.32 -0.65 1.57 2.43 -0.91 -2.00 114.38 115.93 3dy3 h ARG 84 Ca 0.17 -0.09 0.10 0.00 -0.81 0.00 0.00 59.98 59.35 3dy3 h ARG 84 Cb 0.33 -0.04 -0.07 0.00 -0.42 0.00 0.00 29.97 29.77 3dy3 h ARG 84 CO 0.00 0.49 0.28 0.37 -1.51 0.00 0.00 179.97 179.60 3dy3 h GLN 85 N 0.10 0.47 -0.46 0.20 4.15 -1.01 0.18 115.11 118.75 3dy3 h GLN 85 Ca 0.06 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.44 3dy3 h GLN 85 Cb 0.33 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 27.89 3dy3 h GLN 85 CO 0.01 0.31 0.26 0.93 -1.93 0.00 0.00 178.83 178.41 3dy3 h GLU 86 N 0.48 0.63 -0.29 1.69 4.39 -1.14 -2.05 114.58 118.29 3dy3 h GLU 86 Ca 0.33 -0.07 -0.11 0.00 0.34 0.00 0.00 59.36 59.85 3dy3 h GLU 86 Cb 0.38 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 3dy3 h GLU 86 CO -0.29 0.48 -0.28 -0.07 -1.16 0.00 0.00 179.01 177.68 3dy3 h LEU 87 N 0.60 0.59 -1.50 1.33 3.38 -0.60 -2.18 115.31 116.93 3dy3 h LEU 87 Ca 0.16 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 3dy3 h LEU 87 Cb 0.03 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 3dy3 h LEU 87 CO -0.03 0.85 0.00 0.00 0.09 0.00 0.00 178.44 179.36 3dy3 h ALA 88 N 1.19 1.60 0.27 1.53 0.00 -0.33 -2.22 119.26 121.31 3dy3 h ALA 88 Ca 0.07 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3dy3 h ALA 88 Cb 0.75 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3dy3 h ALA 88 CO 0.06 0.30 -0.13 0.87 0.00 0.00 0.00 179.25 180.35 3dy3 h LYS 89 N 0.32 -0.35 -1.11 0.00 1.57 -1.04 -3.17 116.57 112.79 3dy3 h LYS 89 Ca 0.08 0.02 0.36 0.00 -1.87 0.00 0.00 60.65 59.24 3dy3 h LYS 89 Cb 0.21 0.08 -0.14 0.00 0.08 0.00 0.00 32.23 32.46 3dy3 h LYS 89 CO 0.00 -0.00 0.67 1.03 -0.57 0.00 0.00 179.45 180.58 3dy3 h SER 90 N -0.81 0.40 0.08 0.86 0.87 -1.04 -0.46 113.55 113.45 3dy3 h SER 90 Ca -0.04 0.17 -0.01 0.00 -1.23 0.00 0.00 61.79 60.68 3dy3 h SER 90 Cb 0.51 0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 62.60 3dy3 h SER 90 CO 0.06 -0.16 -0.05 -0.29 -0.53 0.00 0.00 176.83 175.86 3dy3 h ILE 90 N 0.22 0.80 -0.23 2.23 6.09 -1.38 -2.29 117.51 122.95 3dy3 h ILE 90 Ca 0.76 -0.18 0.00 0.00 -1.37 0.00 0.00 64.86 64.07 3dy3 h ILE 90 Cb 2.01 1.10 0.00 0.00 0.47 0.00 0.00 36.82 40.40 3dy3 h ILE 90 CO -0.53 0.05 0.00 0.54 -3.07 0.00 0.00 178.15 175.14 3dy3 n ARG 90 N -4.14 2.74 -2.44 2.19 1.74 -0.19 -4.88 116.66 111.67 3dy3 n ARG 90 Ca -0.03 -2.81 -0.25 0.00 -0.77 0.00 0.00 57.85 53.99 3dy3 n ARG 90 Cb 0.13 -1.80 0.14 0.00 -1.02 0.00 0.00 32.46 29.91 3dy3 n ARG 90 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3dy3 s SER 91 N -2.03 3.86 0.17 0.55 1.04 -0.86 -5.01 113.70 111.41 3dy3 s SER 91 Ca 0.41 -0.31 -0.12 0.00 0.48 0.00 0.00 55.95 56.40 3dy3 s SER 91 Cb 0.33 0.11 0.06 0.00 0.10 0.00 0.00 66.02 66.63 3dy3 s SER 91 CO 0.08 -2.21 1.72 -0.09 0.98 0.00 0.00 173.24 173.72 3dy3 h ARG 92 N -0.89 0.86 -2.58 4.02 2.43 -1.94 -3.38 114.38 112.90 3dy3 h ARG 92 Ca -0.37 -0.16 -0.54 0.00 -0.81 0.00 0.00 59.98 58.10 3dy3 h ARG 92 Cb 1.25 -0.14 -0.38 0.00 -0.42 0.00 0.00 29.97 30.28 3dy3 h ARG 92 CO 0.36 0.75 -0.80 0.50 -1.51 0.00 0.00 179.97 179.27 3dy3 s ARG 93 N -5.53 0.42 0.33 0.20 3.52 -1.26 -5.14 118.95 111.50 3dy3 s ARG 93 Ca -0.13 -0.97 -0.29 0.00 -0.13 0.00 0.00 55.73 54.21 3dy3 s ARG 93 Cb 0.13 -1.17 -0.12 0.00 -1.56 0.00 0.00 34.95 32.22 3dy3 s ARG 93 CO 0.79 -1.14 1.50 -2.30 -0.81 0.00 0.00 175.30 173.34 3dy3 n PRO 94 N 4.52 2.57 -2.18 5.12 -0.02 -1.25 -4.97 135.00 138.79 3dy3 n PRO 94 Ca 0.05 0.91 -0.42 0.00 -2.02 0.00 0.00 63.50 62.02 3dy3 n PRO 94 Cb 0.40 -2.63 -0.03 0.00 -0.02 0.00 0.00 33.50 31.22 3dy3 n PRO 94 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 3dy3 s TYR 95 N -0.61 2.50 -1.14 6.00 2.02 -1.26 -4.93 117.35 119.93 3dy3 s TYR 95 Ca 0.59 0.61 -0.10 0.00 -0.37 0.00 0.00 57.07 57.80 3dy3 s TYR 95 Cb -0.51 -3.73 0.25 0.00 -0.40 0.00 0.00 41.96 37.58 3dy3 s TYR 95 CO 0.57 -2.84 1.24 1.04 -1.57 0.00 0.00 175.55 173.98 3dy3 n GLN 96 N 6.35 3.57 -4.26 -0.62 6.02 -1.26 -4.85 117.38 122.33 3dy3 n GLN 96 Ca 0.15 -4.30 -0.18 0.00 -0.01 0.00 0.00 57.00 52.66 3dy3 n GLN 96 Cb 0.43 -2.67 -0.15 0.00 1.02 0.00 0.00 30.24 28.87 3dy3 n GLN 96 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3dy3 s VAL 97 N -0.67 0.58 -0.06 5.09 1.01 -1.26 -0.04 120.40 125.05 3dy3 s VAL 97 Ca 0.34 -0.26 0.04 0.00 0.00 0.00 0.00 61.98 62.10 3dy3 s VAL 97 Cb -0.07 -0.53 -0.02 0.00 0.00 0.00 0.00 36.38 35.77 3dy3 s VAL 97 CO -0.05 0.19 -0.20 0.20 0.00 0.00 0.00 175.10 175.24 3dy3 s ASN 98 N 0.18 3.52 0.09 3.32 0.01 0.21 -1.93 114.94 120.33 3dy3 s ASN 98 Ca -0.02 -0.38 0.02 0.00 -0.71 0.00 0.00 52.86 51.76 3dy3 s ASN 98 Cb -0.07 -0.94 -0.04 0.00 0.41 0.00 0.00 41.25 40.61 3dy3 s ASN 98 CO -0.00 0.27 -0.06 0.68 -1.51 0.00 0.00 177.10 176.47 3dy3 s VAL 99 N -0.28 0.62 -0.08 1.60 -7.23 0.43 -1.49 120.40 113.98 3dy3 s VAL 99 Ca 0.01 -1.80 0.04 0.00 -1.81 0.00 0.00 61.98 58.41 3dy3 s VAL 99 Cb -0.13 -1.52 0.00 0.00 0.56 0.00 0.00 36.38 35.30 3dy3 s VAL 99 CO 0.03 -0.82 -0.20 -0.76 -0.31 0.00 0.00 175.10 173.04 3dy3 s LEU 100 N -2.83 1.95 -0.21 1.32 1.43 -0.68 -1.23 118.68 118.43 3dy3 s LEU 100 Ca 0.08 -0.46 -0.01 0.00 -1.03 0.00 0.00 54.13 52.71 3dy3 s LEU 100 Cb 0.03 -1.21 0.01 0.00 0.03 0.00 0.00 46.19 45.06 3dy3 s LEU 100 CO -0.05 0.13 -0.12 -0.63 0.23 0.00 0.00 176.35 175.92 3dy3 s ILE 101 N 0.35 2.65 -0.21 -0.59 1.01 0.18 -0.85 121.20 123.74 3dy3 s ILE 101 Ca -0.15 -0.85 -0.03 0.00 0.00 0.00 0.00 60.65 59.63 3dy3 s ILE 101 Cb -0.16 -2.22 -0.00 0.00 0.01 0.00 0.00 42.46 40.09 3dy3 s ILE 101 CO 0.06 0.41 -0.08 -0.83 0.00 0.00 0.00 174.94 174.50 3dy3 s GLY 102 N 1.35 1.57 0.11 6.18 0.00 0.58 0.00 107.32 117.10 3dy3 s GLY 102 Ca 0.04 -1.15 -0.08 0.00 0.00 0.00 0.00 44.72 43.53 3dy3 s GLY 102 CO -0.08 0.35 0.18 -0.32 0.00 0.00 0.00 173.10 173.23 3dy3 s GLY 103 N 1.34 0.27 -0.23 0.20 0.00 -0.45 -0.49 107.32 107.96 3dy3 s GLY 103 Ca 0.04 -0.79 -0.00 0.00 0.00 0.00 0.00 44.72 43.97 3dy3 s GLY 103 CO -0.04 -0.89 -0.11 -0.47 0.00 0.00 0.00 173.10 171.59 3dy3 s TYR 104 N -3.90 3.02 0.00 1.90 6.14 -0.41 0.01 117.35 124.10 3dy3 s TYR 104 Ca 0.09 -1.68 0.00 0.00 0.64 0.00 0.00 57.07 56.12 3dy3 s TYR 104 Cb 0.05 -2.00 0.00 0.00 0.42 0.00 0.00 41.96 40.43 3dy3 s TYR 104 CO -0.08 -0.77 0.00 -3.47 0.64 0.00 0.00 175.55 171.88 3dy3 n ASP 105 N 4.62 0.00 0.00 4.32 4.64 -0.53 -4.84 116.55 124.76 3dy3 n ASP 105 Ca -0.17 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.24 3dy3 n ASP 105 Cb 0.47 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.55 3dy3 n ASP 105 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 3dy3 n LYS 10 N 0.00 0.00 -3.33 -0.67 5.02 -1.26 -3.07 118.16 114.85 3dy3 n LYS 10 Ca 0.00 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.12 3dy3 n LYS 10 Cb 0.00 -2.27 0.08 0.00 -0.02 0.00 0.00 35.03 32.81 3dy3 n LYS 10 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3dy3 n ASN 106 N 0.00 -3.54 -3.92 4.39 3.02 -1.26 -5.03 115.26 108.93 3dy3 n ASN 106 Ca 0.00 -0.51 -0.10 0.00 -0.03 0.00 0.00 54.58 53.93 3dy3 n ASN 106 Cb 0.00 -4.51 -0.12 0.00 -0.61 0.00 0.00 39.78 34.54 3dy3 n ASN 106 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3dy3 s LYS 107 N -5.57 0.25 0.29 3.52 1.02 -1.17 -5.07 119.74 113.01 3dy3 s LYS 107 Ca 0.20 -0.34 -0.15 0.00 0.02 0.00 0.00 55.97 55.70 3dy3 s LYS 107 Cb -0.09 0.10 -0.09 0.00 -0.52 0.00 0.00 37.83 37.23 3dy3 s LYS 107 CO 0.64 -0.05 0.70 -1.25 -0.92 0.00 0.00 175.35 174.47 3dy3 s PRO 108 N -0.94 4.02 -0.00 -1.68 0.04 -1.26 -1.46 135.00 133.72 3dy3 s PRO 108 Ca -0.10 0.65 0.00 0.00 0.04 0.00 0.00 61.00 61.58 3dy3 s PRO 108 Cb -0.06 -2.55 0.00 0.00 0.04 0.00 0.00 34.50 31.93 3dy3 s PRO 108 CO -0.00 0.23 -0.00 -1.21 0.04 0.00 0.00 177.00 176.05 3dy3 s GLU 109 N -2.77 0.04 -0.13 4.56 2.02 0.10 -4.95 118.70 117.58 3dy3 s GLU 109 Ca 0.51 -0.01 0.03 0.00 0.02 0.00 0.00 54.97 55.51 3dy3 s GLU 109 Cb -0.11 -0.04 0.01 0.00 0.10 0.00 0.00 34.13 34.08 3dy3 s GLU 109 CO 0.18 0.01 -0.22 -1.17 0.02 0.00 0.00 175.26 174.09 3dy3 s LEU 110 N 0.00 2.06 -0.08 1.80 2.96 -1.26 -1.34 118.68 122.83 3dy3 s LEU 110 Ca 0.00 -0.58 0.05 0.00 -0.22 0.00 0.00 54.13 53.38 3dy3 s LEU 110 Cb -0.00 -1.40 -0.00 0.00 0.50 0.00 0.00 46.19 45.28 3dy3 s LEU 110 CO -0.00 0.08 -0.24 -0.31 -1.32 0.00 0.00 176.35 174.56 3dy3 s TYR 111 N 0.77 2.49 -0.17 5.38 2.02 0.10 -1.88 117.35 126.07 3dy3 s TYR 111 Ca -0.09 -0.93 -0.02 0.00 -0.37 0.00 0.00 57.07 55.67 3dy3 s TYR 111 Cb -0.16 -1.66 -0.01 0.00 -0.40 0.00 0.00 41.96 39.73 3dy3 s TYR 111 CO -0.00 -0.35 -0.09 -1.14 -1.57 0.00 0.00 175.55 172.39 3dy3 s GLN 112 N 0.17 3.39 -0.04 -0.62 0.74 -0.31 0.48 119.66 123.48 3dy3 s GLN 112 Ca -0.14 -0.65 0.00 0.00 0.05 0.00 0.00 55.36 54.62 3dy3 s GLN 112 Cb -0.16 -2.79 0.03 0.00 1.10 0.00 0.00 33.01 31.18 3dy3 s GLN 112 CO 0.07 0.05 0.00 0.42 -0.55 0.00 0.00 175.29 175.28 3dy3 s ILE 113 N 0.80 0.22 0.55 -2.34 1.01 -0.37 -1.31 121.20 119.76 3dy3 s ILE 113 Ca -0.03 0.10 0.05 0.00 0.00 0.00 0.00 60.65 60.76 3dy3 s ILE 113 Cb -0.15 -0.33 0.06 0.00 0.01 0.00 0.00 42.46 42.05 3dy3 s ILE 113 CO 0.01 0.17 0.77 1.51 0.00 0.00 0.00 174.94 177.40 3dy3 s ASP 114 N 1.25 5.16 0.37 3.58 3.84 -0.90 -0.43 116.67 129.54 3dy3 s ASP 114 Ca -0.07 -0.38 0.20 0.00 -0.00 0.00 0.00 52.55 52.31 3dy3 s ASP 114 Cb -0.13 -0.39 1.09 0.00 -1.38 0.00 0.00 42.92 42.11 3dy3 s ASP 114 CO -0.02 -1.23 1.57 0.10 -0.00 0.00 0.00 175.17 175.59 3dy3 h TYR 115 N 0.13 0.00 -0.00 2.11 -0.00 -1.72 0.10 116.97 117.59 3dy3 h TYR 115 Ca -0.38 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.35 3dy3 h TYR 115 Cb 1.28 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.01 3dy3 h TYR 115 CO 0.28 0.00 -0.30 1.28 -0.00 0.00 0.00 178.16 179.42 3dy3 n LEU 116 N -2.27 0.63 0.00 0.10 4.77 -1.26 -4.61 117.00 114.36 3dy3 n LEU 116 Ca -0.01 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 3dy3 n LEU 116 Cb 0.19 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 3dy3 n LEU 116 CO 0.09 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 176.89 3dy3 n GLY 117 N 1.41 0.86 3.54 -0.72 0.00 0.36 -4.31 105.19 106.32 3dy3 n GLY 117 Ca 0.10 -0.62 -0.43 0.00 0.00 0.00 0.00 46.02 45.07 3dy3 n GLY 117 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dy3 s THR 118 N -2.00 4.62 -0.08 2.61 2.01 -1.24 -4.81 115.64 116.75 3dy3 s THR 118 Ca 0.00 0.39 0.01 0.00 0.31 0.00 0.00 61.69 62.39 3dy3 s THR 118 Cb 0.00 -4.35 -0.03 0.00 0.01 0.00 0.00 72.50 68.14 3dy3 s THR 118 CO 0.00 -0.77 -0.09 -0.75 -0.69 0.00 0.00 174.62 172.32 3dy3 s LYS 119 N 3.35 2.87 -0.08 4.92 2.20 -1.26 -2.11 119.74 129.63 3dy3 s LYS 119 Ca 0.30 -0.59 -0.12 0.00 -0.36 0.00 0.00 55.97 55.19 3dy3 s LYS 119 Cb -0.12 -2.58 0.03 0.00 -1.51 0.00 0.00 37.83 33.64 3dy3 s LYS 119 CO 0.22 0.56 0.31 0.54 -0.36 0.00 0.00 175.35 176.61 3dy3 s VAL 120 N -0.53 0.02 -0.12 4.02 0.11 -0.43 -5.01 120.40 118.46 3dy3 s VAL 120 Ca 0.08 -0.19 -0.10 0.00 -2.93 0.00 0.00 61.98 58.83 3dy3 s VAL 120 Cb -0.12 -0.50 -0.05 0.00 -1.53 0.00 0.00 36.38 34.19 3dy3 s VAL 120 CO 0.02 -0.10 0.22 -0.70 -3.33 0.00 0.00 175.10 171.20 3dy3 s GLU 121 N -0.40 3.84 0.10 1.54 2.12 -1.26 -1.16 118.70 123.48 3dy3 s GLU 121 Ca -0.05 -0.01 -0.06 0.00 0.36 0.00 0.00 54.97 55.21 3dy3 s GLU 121 Cb -0.03 -3.29 -0.02 0.00 0.26 0.00 0.00 34.13 31.05 3dy3 s GLU 121 CO 0.02 0.56 0.15 -0.51 -0.54 0.00 0.00 175.26 174.93 3dy3 s LEU 122 N -0.45 1.59 0.18 2.70 1.43 -0.79 -5.00 118.68 118.35 3dy3 s LEU 122 Ca 0.15 -0.83 -0.05 0.00 -1.03 0.00 0.00 54.13 52.38 3dy3 s LEU 122 Cb -0.13 0.81 0.09 0.00 0.03 0.00 0.00 46.19 46.99 3dy3 s LEU 122 CO 0.04 -0.74 1.50 -0.65 0.23 0.00 0.00 176.35 176.74 3dy3 h PRO 123 N 2.80 0.63 -2.03 1.29 0.11 -1.90 -3.38 132.00 129.53 3dy3 h PRO 123 Ca -0.34 -0.38 -0.05 0.00 0.11 0.00 0.00 66.00 65.34 3dy3 h PRO 123 Cb 1.19 0.04 -0.19 0.00 0.11 0.00 0.00 31.00 32.15 3dy3 h PRO 123 CO 0.57 1.00 0.20 1.52 -0.21 0.00 0.00 178.00 181.08 3dy3 s TYR 124 N -4.08 -0.64 0.31 0.65 1.13 -1.26 0.17 117.35 113.63 3dy3 s TYR 124 Ca -0.08 1.08 -0.19 0.00 -1.41 0.00 0.00 57.07 56.47 3dy3 s TYR 124 Cb 0.11 0.42 0.04 0.00 -1.10 0.00 0.00 41.96 41.43 3dy3 s TYR 124 CO 0.85 -0.61 0.79 0.20 -2.51 0.00 0.00 175.55 174.26 3dy3 s GLY 125 N -1.26 0.12 0.11 5.49 0.00 0.18 -4.98 107.32 106.99 3dy3 s GLY 125 Ca -0.10 -0.48 -0.25 0.00 0.00 0.00 0.00 44.72 43.89 3dy3 s GLY 125 CO 0.09 -0.04 0.66 0.00 0.00 0.00 0.00 173.10 173.81 3dy3 s ALA 126 N -3.04 -1.65 0.19 3.20 0.00 -1.26 -1.04 121.76 118.16 3dy3 s ALA 126 Ca 0.14 0.65 0.08 0.00 0.00 0.00 0.00 51.96 52.82 3dy3 s ALA 126 Cb -0.05 0.73 -0.04 0.00 0.00 0.00 0.00 23.12 23.76 3dy3 s ALA 126 CO 0.09 -0.73 -0.04 -1.01 0.00 0.00 0.00 175.76 174.07 3dy3 s HIS 127 N -3.46 2.75 0.00 0.00 3.76 -1.03 -4.74 115.29 112.57 3dy3 s HIS 127 Ca 0.01 -0.18 0.00 0.00 -0.15 0.00 0.00 55.06 54.74 3dy3 s HIS 127 Cb -0.01 -1.32 0.00 0.00 1.11 0.00 0.00 32.58 32.36 3dy3 s HIS 127 CO -0.11 0.53 0.00 0.41 -0.85 0.00 0.00 174.74 174.72 3dy3 n GLY 128 N -0.15 0.33 0.05 -2.22 0.00 -1.26 -3.66 105.19 98.28 3dy3 n GLY 128 Ca -0.10 -0.93 0.11 0.00 0.00 0.00 0.00 46.02 45.11 3dy3 n GLY 128 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3dy3 n TYR 129 N 12.00 0.42 -0.32 1.61 4.01 -1.26 -4.43 117.16 129.19 3dy3 n TYR 129 Ca 0.00 0.12 0.21 0.00 -0.16 0.00 0.00 57.90 58.07 3dy3 n TYR 129 Cb 0.00 -0.57 0.42 0.00 -0.31 0.00 0.00 39.34 38.88 3dy3 n TYR 129 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 3dy3 h SER 130 N 0.00 0.21 -0.30 7.72 0.02 -1.89 0.29 113.55 119.60 3dy3 h SER 130 Ca 0.00 0.21 -0.02 0.00 -0.84 0.00 0.00 61.79 61.15 3dy3 h SER 130 Cb 0.79 0.24 -0.02 0.00 0.14 0.00 0.00 62.40 63.56 3dy3 h SER 130 CO 0.00 -0.22 0.14 1.23 -1.14 0.00 0.00 176.83 176.85 3dy3 h GLY 131 N 0.20 0.51 1.18 -3.77 0.00 -1.81 -2.58 103.07 96.79 3dy3 h GLY 131 Ca 0.68 -0.23 0.12 0.00 0.00 0.00 0.00 47.33 47.90 3dy3 h GLY 131 CO -0.68 0.22 0.30 0.74 0.00 0.00 0.00 176.54 177.11 3dy3 h PHE 132 N 0.48 0.00 0.00 5.60 0.04 -0.72 0.11 116.94 122.45 3dy3 h PHE 132 Ca 0.12 0.00 -0.25 0.00 2.80 0.00 0.00 57.97 60.64 3dy3 h PHE 132 Cb 0.09 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.19 3dy3 h PHE 132 CO 0.00 0.00 -2.12 0.66 -0.60 0.00 0.00 178.31 176.26 3dy3 n TYR 133 N -4.32 0.00 -0.07 -0.55 4.01 -1.05 -4.71 117.16 110.47 3dy3 n TYR 133 Ca 0.07 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.69 3dy3 n TYR 133 Cb 0.49 -0.76 -0.15 0.00 -0.31 0.00 0.00 39.34 38.61 3dy3 n TYR 133 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 3dy3 n THR 134 N -2.53 1.52 -0.35 -0.72 -2.24 -1.00 -4.55 114.28 104.41 3dy3 n THR 134 Ca -0.23 -0.77 0.09 0.00 -2.27 0.00 0.00 64.05 60.87 3dy3 n THR 134 Cb 0.94 -0.94 0.27 0.00 -2.10 0.00 0.00 70.33 68.50 3dy3 n THR 134 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 3dy3 h PHE 135 N 0.01 1.05 -0.56 4.78 0.04 -1.03 -0.97 116.94 120.26 3dy3 h PHE 135 Ca -0.46 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.35 3dy3 h PHE 135 Cb 2.10 -0.32 -0.03 0.00 2.20 0.00 0.00 35.95 39.90 3dy3 h PHE 135 CO 0.01 0.32 0.36 0.66 -0.60 0.00 0.00 178.31 179.06 3dy3 h SER 136 N 0.84 0.65 0.03 2.17 4.64 -1.80 0.31 113.55 120.39 3dy3 h SER 136 Ca 0.52 -0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.82 3dy3 h SER 136 Cb 0.68 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 3dy3 h SER 136 CO -0.33 0.49 -0.02 -0.07 -0.87 0.00 0.00 176.83 176.03 3dy3 h LEU 137 N 0.77 -0.04 -0.19 5.97 3.38 -1.46 -3.00 115.31 120.74 3dy3 h LEU 137 Ca 0.20 -0.41 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 3dy3 h LEU 137 Cb -0.06 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 3dy3 h LEU 137 CO -0.04 0.40 0.09 -0.07 0.09 0.00 0.00 178.44 178.90 3dy3 h LEU 138 N -0.48 0.25 -1.84 1.67 3.38 -1.06 -0.55 115.31 116.68 3dy3 h LEU 138 Ca -0.00 -0.14 0.24 0.00 0.09 0.00 0.00 57.88 58.06 3dy3 h LEU 138 Cb 0.45 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.09 3dy3 h LEU 138 CO 0.01 0.32 0.61 0.44 0.09 0.00 0.00 178.44 179.91 3dy3 h ASP 139 N 0.17 0.13 0.00 -0.43 3.32 -0.48 0.15 116.42 119.28 3dy3 h ASP 139 Ca 0.06 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.13 3dy3 h ASP 139 Cb 0.14 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.68 3dy3 h ASP 139 CO -0.01 0.05 -0.03 -0.74 -1.72 0.00 0.00 179.24 176.79 3dy3 h HIS 140 N 0.13 0.00 0.00 4.55 2.76 -1.26 -3.41 115.15 117.92 3dy3 h HIS 140 Ca 0.43 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.60 3dy3 h HIS 140 Cb 1.51 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.47 3dy3 h HIS 140 CO -0.00 0.00 -0.55 0.45 -1.30 0.00 0.00 177.93 176.53 3dy3 h HIS 141 N -0.77 0.00 -3.40 5.26 3.86 -0.97 -3.47 115.15 115.66 3dy3 h HIS 141 Ca 0.00 0.00 -0.54 0.00 -1.16 0.00 0.00 60.37 58.67 3dy3 h HIS 141 Cb 0.03 0.00 0.09 0.00 1.06 0.00 0.00 27.41 28.59 3dy3 h HIS 141 CO -0.01 0.00 0.86 0.98 0.86 0.00 0.00 177.93 180.61 3dy3 n TYR 142 N -2.71 2.88 -3.77 2.45 9.36 0.52 -5.01 117.16 120.87 3dy3 n TYR 142 Ca 0.02 0.30 -0.15 0.00 3.32 0.00 0.00 57.90 61.39 3dy3 n TYR 142 Cb 0.52 -2.58 -0.16 0.00 -0.63 0.00 0.00 39.34 36.49 3dy3 n TYR 142 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 3dy3 s ARG 143 N -0.83 -0.01 0.40 2.98 1.81 -1.26 -4.99 118.95 117.05 3dy3 s ARG 143 Ca 0.62 0.21 0.17 0.00 -1.72 0.00 0.00 55.73 55.01 3dy3 s ARG 143 Cb -0.49 -0.22 1.06 0.00 -0.45 0.00 0.00 34.95 34.85 3dy3 s ARG 143 CO 0.52 -0.16 1.82 -1.35 -0.68 0.00 0.00 175.30 175.45 3dy3 h PRO 144 N 7.20 0.42 -0.43 3.54 0.11 -1.95 -0.90 132.00 140.01 3dy3 h PRO 144 Ca -0.44 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3dy3 h PRO 144 Cb 1.13 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.14 3dy3 h PRO 144 CO 0.47 0.28 0.00 -0.40 -0.21 0.00 0.00 178.00 178.14 3dy3 n ASP 145 N -4.57 2.02 -4.59 -2.05 3.85 -1.26 -3.12 116.55 106.83 3dy3 n ASP 145 Ca 0.22 -2.08 -0.34 0.00 -0.71 0.00 0.00 54.79 51.88 3dy3 n ASP 145 Cb 0.76 -0.29 0.12 0.00 -1.35 0.00 0.00 41.12 40.35 3dy3 n ASP 145 CO 0.00 0.00 0.00 0.23 -1.01 0.00 0.00 177.20 176.42 3dy3 n MET 146 N 0.42 0.08 -3.81 0.11 2.81 -0.34 -4.66 117.12 111.72 3dy3 n MET 146 Ca 0.11 0.09 -0.23 0.00 -1.81 0.00 0.00 57.70 55.87 3dy3 n MET 146 Cb 0.35 -2.20 -0.02 0.00 -0.71 0.00 0.00 33.22 30.64 3dy3 n MET 146 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 3dy3 s THR 147 N -2.16 5.23 0.47 2.03 -4.23 -1.26 -1.43 115.64 114.28 3dy3 s THR 147 Ca 0.68 -0.78 0.20 0.00 -1.18 0.00 0.00 61.69 60.61 3dy3 s THR 147 Cb -0.28 -3.83 0.38 0.00 1.34 0.00 0.00 72.50 70.10 3dy3 s THR 147 CO 0.56 -0.34 1.94 0.74 -0.54 0.00 0.00 174.62 176.98 3dy3 h THR 148 N 1.17 0.75 -0.16 3.99 2.02 -1.96 0.19 112.91 118.91 3dy3 h THR 148 Ca -0.51 -0.09 -0.21 0.00 0.77 0.00 0.00 66.41 66.38 3dy3 h THR 148 Cb 1.22 0.47 0.01 0.00 -1.74 0.00 0.00 68.15 68.11 3dy3 h THR 148 CO 0.63 0.05 -0.70 -0.08 0.37 0.00 0.00 175.52 175.78 3dy3 h GLU 149 N 0.25 0.76 -0.62 6.66 4.57 -1.99 -1.59 114.58 122.62 3dy3 h GLU 149 Ca 0.35 -0.60 -0.06 0.00 -1.18 0.00 0.00 59.36 57.86 3dy3 h GLU 149 Cb 1.00 0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 29.68 3dy3 h GLU 149 CO -0.08 1.22 0.16 0.93 -1.18 0.00 0.00 179.01 180.06 3dy3 h GLU 150 N 0.48 1.00 0.67 1.92 5.08 -1.40 -1.79 114.58 120.53 3dy3 h GLU 150 Ca -0.04 -0.24 -0.03 0.00 -1.00 0.00 0.00 59.36 58.05 3dy3 h GLU 150 Cb 1.33 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 3dy3 h GLU 150 CO 0.15 0.90 -0.44 0.78 -1.00 0.00 0.00 179.01 179.40 3dy3 h GLY 151 N 0.91 -1.23 -0.37 -3.84 0.00 -0.66 0.33 103.07 98.21 3dy3 h GLY 151 Ca 0.20 0.51 0.33 0.00 0.00 0.00 0.00 47.33 48.37 3dy3 h GLY 151 CO 0.00 -0.41 0.87 1.41 0.00 0.00 0.00 176.54 178.41 3dy3 h LEU 152 N -1.04 0.00 0.00 3.11 3.38 -1.15 0.27 115.31 119.88 3dy3 h LEU 152 Ca -0.09 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.77 3dy3 h LEU 152 Cb 0.85 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.61 3dy3 h LEU 152 CO 0.07 0.00 -0.43 0.44 0.09 0.00 0.00 178.44 178.61 3dy3 h ASP 153 N 0.00 0.37 0.09 -0.43 3.45 -0.42 -1.45 116.42 118.04 3dy3 h ASP 153 Ca 0.54 -0.77 -0.04 0.00 0.43 0.00 0.00 57.03 57.18 3dy3 h ASP 153 Cb 2.26 -0.11 -0.01 0.00 -0.56 0.00 0.00 39.33 40.91 3dy3 h ASP 153 CO -0.01 1.10 -0.14 0.25 -1.57 0.00 0.00 179.24 178.87 3dy3 h LEU 154 N -0.31 0.11 -0.07 1.55 5.85 0.15 -1.23 115.31 121.35 3dy3 h LEU 154 Ca -0.05 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.61 3dy3 h LEU 154 Cb 1.17 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 42.17 3dy3 h LEU 154 CO 0.08 0.27 -0.09 0.25 -0.34 0.00 0.00 178.44 178.62 3dy3 h LEU 155 N 0.12 0.20 -1.53 2.25 6.46 -0.61 -2.01 115.31 120.19 3dy3 h LEU 155 Ca 0.02 -0.51 0.12 0.00 -0.12 0.00 0.00 57.88 57.40 3dy3 h LEU 155 Cb 0.33 -0.06 -0.05 0.00 -0.73 0.00 0.00 40.66 40.15 3dy3 h LEU 155 CO 0.02 0.66 0.48 0.50 -0.62 0.00 0.00 178.44 179.48 3dy3 h LYS 156 N -0.26 0.48 -0.51 1.25 3.64 -0.75 0.15 116.57 120.56 3dy3 h LYS 156 Ca 0.01 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.31 3dy3 h LYS 156 Cb 0.61 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.30 3dy3 h LYS 156 CO 0.02 0.32 0.13 1.25 -2.27 0.00 0.00 179.45 178.90 3dy3 h LEU 157 N 0.49 0.76 -0.12 5.20 5.85 -0.92 -2.26 115.31 124.31 3dy3 h LEU 157 Ca 0.34 -0.22 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 3dy3 h LEU 157 Cb 0.66 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.49 3dy3 h LEU 157 CO -0.11 0.78 0.01 0.00 -0.34 0.00 0.00 178.44 178.78 3dy3 h VAL 159 N -0.04 0.92 -0.35 0.00 2.07 -0.87 -1.51 116.25 116.48 3dy3 h VAL 159 Ca 0.04 -0.10 -0.14 0.00 0.82 0.00 0.00 66.70 67.32 3dy3 h VAL 159 Cb 0.31 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 3dy3 h VAL 159 CO 0.00 0.05 -0.33 1.56 0.02 0.00 0.00 177.57 178.87 3dy3 h GLN 160 N 0.29 0.84 -0.62 1.57 4.20 -1.22 -0.89 115.11 119.27 3dy3 h GLN 160 Ca 0.20 -0.44 -0.04 0.00 0.06 0.00 0.00 58.65 58.43 3dy3 h GLN 160 Cb 0.42 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.19 3dy3 h GLN 160 CO -0.04 1.08 0.21 1.49 -0.67 0.00 0.00 178.83 180.89 3dy3 h GLU 161 N 0.63 0.94 -0.22 1.46 4.57 -1.06 -0.70 114.58 120.19 3dy3 h GLU 161 Ca 0.06 -0.17 -0.11 0.00 -1.18 0.00 0.00 59.36 57.95 3dy3 h GLU 161 Cb 0.92 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 29.34 3dy3 h GLU 161 CO 0.08 0.79 -0.34 -0.07 -1.18 0.00 0.00 179.01 178.30 3dy3 h LEU 162 N 0.91 0.49 -0.68 1.64 3.38 -1.12 -1.27 115.31 118.66 3dy3 h LEU 162 Ca 0.21 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 3dy3 h LEU 162 Cb 0.24 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 3dy3 h LEU 162 CO -0.01 0.79 -0.02 -0.33 0.09 0.00 0.00 178.44 178.96 3dy3 h GLU 163 N 0.40 0.00 0.00 1.13 5.08 -0.36 -2.35 114.58 118.48 3dy3 h GLU 163 Ca 0.05 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.32 3dy3 h GLU 163 Cb 0.79 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 3dy3 h GLU 163 CO 0.06 0.02 -0.59 -0.22 -1.00 0.00 0.00 179.01 177.28 3dy3 h LYS 164 N 0.00 0.00 0.00 2.33 3.64 -0.72 -3.42 116.57 118.40 3dy3 h LYS 164 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3dy3 h LYS 164 Cb 0.79 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.61 3dy3 h LYS 164 CO 0.00 0.66 -1.25 0.54 -2.27 0.00 0.00 179.45 177.14 3dy3 n ARG 165 N -4.57 0.58 -2.90 1.90 5.12 -0.52 -4.93 116.66 111.35 3dy3 n ARG 165 Ca -0.17 0.03 -0.41 0.00 -1.93 0.00 0.00 57.85 55.37 3dy3 n ARG 165 Cb 0.45 -1.72 -0.04 0.00 -1.16 0.00 0.00 32.46 29.98 3dy3 n ARG 165 CO 0.00 0.00 0.00 1.41 -1.93 0.00 0.00 177.63 177.11 3dy3 s MET 166 N -3.38 4.47 0.53 5.56 1.75 -0.88 -4.96 119.30 122.39 3dy3 s MET 166 Ca -0.02 1.10 0.24 0.00 -1.25 0.00 0.00 55.69 55.77 3dy3 s MET 166 Cb 0.11 -3.46 1.40 0.00 2.84 0.00 0.00 34.83 35.71 3dy3 s MET 166 CO 0.82 -0.02 2.02 -1.35 -0.65 0.00 0.00 175.02 175.85 3dy3 h PRO 167 N 6.82 0.00 -5.96 4.11 0.11 -1.91 -3.44 132.00 131.73 3dy3 h PRO 167 Ca -0.40 0.00 -0.60 0.00 0.11 0.00 0.00 66.00 65.11 3dy3 h PRO 167 Cb 1.20 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.27 3dy3 h PRO 167 CO 0.76 0.00 -0.48 -1.64 -0.21 0.00 0.00 178.00 176.43 3dy3 s MET 168 N -4.99 3.45 -0.78 1.05 -1.94 -1.26 -5.05 119.30 109.78 3dy3 s MET 168 Ca -0.05 -0.46 -0.19 0.00 -1.71 0.00 0.00 55.69 53.28 3dy3 s MET 168 Cb 0.19 -3.01 0.12 0.00 2.01 0.00 0.00 34.83 34.14 3dy3 s MET 168 CO 0.71 0.58 0.95 0.34 -0.01 0.00 0.00 175.02 177.59 3dy3 s ASP 169 N -2.69 6.44 -0.00 3.03 -1.08 -1.26 -4.89 116.67 116.21 3dy3 s ASP 169 Ca 0.35 -1.74 0.02 0.00 -0.52 0.00 0.00 52.55 50.66 3dy3 s ASP 169 Cb -0.12 -2.36 0.05 0.00 -1.46 0.00 0.00 42.92 39.03 3dy3 s ASP 169 CO 0.28 -1.11 0.99 2.22 0.52 0.00 0.00 175.17 178.07 3dy3 n PHE 170 N 6.48 0.08 -3.41 -5.34 1.16 -1.26 -4.89 117.46 110.29 3dy3 n PHE 170 Ca 0.09 -0.04 -0.25 0.00 -1.87 0.00 0.00 57.45 55.38 3dy3 n PHE 170 Cb 0.46 -0.01 0.01 0.00 -1.61 0.00 0.00 39.48 38.33 3dy3 n PHE 170 CO 0.00 0.00 0.00 1.63 -1.87 0.00 0.00 176.76 176.52 3dy3 n LYS 171 N -0.29 -4.10 -0.33 3.97 4.76 -1.26 -1.95 118.16 118.96 3dy3 n LYS 171 Ca 0.02 0.58 0.04 0.00 -2.87 0.00 0.00 58.31 56.09 3dy3 n LYS 171 Cb 0.08 -5.36 -0.01 0.00 -1.84 0.00 0.00 35.03 27.90 3dy3 n LYS 171 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3dy3 n GLY 172 N -1.35 -2.18 3.40 0.72 0.00 -1.26 -4.35 105.19 100.17 3dy3 n GLY 172 Ca -0.02 -1.45 -0.21 0.00 0.00 0.00 0.00 46.02 44.34 3dy3 n GLY 172 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3dy3 s VAL 173 N -1.25 2.03 -0.16 1.61 -7.23 -1.26 -0.96 120.40 113.17 3dy3 s VAL 173 Ca 0.00 -2.29 -0.03 0.00 -1.81 0.00 0.00 61.98 57.85 3dy3 s VAL 173 Cb 0.00 -2.16 -0.02 0.00 0.56 0.00 0.00 36.38 34.75 3dy3 s VAL 173 CO 0.00 -0.51 -0.04 -0.63 -0.31 0.00 0.00 175.10 173.61 3dy3 s ILE 174 N -2.79 3.77 -0.03 -0.62 1.01 -0.02 -4.87 121.20 117.65 3dy3 s ILE 174 Ca 0.26 -0.40 0.00 0.00 0.00 0.00 0.00 60.65 60.51 3dy3 s ILE 174 Cb -0.02 -2.66 -0.03 0.00 0.01 0.00 0.00 42.46 39.76 3dy3 s ILE 174 CO 0.10 0.48 0.00 -0.69 0.00 0.00 0.00 174.94 174.84 3dy3 s VAL 175 N 0.54 4.22 0.02 2.92 1.01 -1.26 -1.70 120.40 126.14 3dy3 s VAL 175 Ca -0.03 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.48 3dy3 s VAL 175 Cb -0.14 -2.84 -0.02 0.00 0.00 0.00 0.00 36.38 33.38 3dy3 s VAL 175 CO 0.03 0.46 -0.03 -0.54 0.00 0.00 0.00 175.10 175.02 3dy3 s LYS 176 N -1.31 0.27 -0.03 2.72 1.02 -0.12 -1.80 119.74 120.49 3dy3 s LYS 176 Ca 0.17 -0.48 0.07 0.00 0.02 0.00 0.00 55.97 55.75 3dy3 s LYS 176 Cb -0.11 0.02 -0.01 0.00 -0.52 0.00 0.00 37.83 37.20 3dy3 s LYS 176 CO 0.07 -0.02 -0.23 0.42 -0.92 0.00 0.00 175.35 174.67 3dy3 s ILE 177 N -1.07 1.85 -0.16 2.17 1.01 0.78 -1.32 121.20 124.47 3dy3 s ILE 177 Ca -0.11 -0.98 0.01 0.00 0.00 0.00 0.00 60.65 59.57 3dy3 s ILE 177 Cb -0.07 -1.55 0.02 0.00 0.01 0.00 0.00 42.46 40.86 3dy3 s ILE 177 CO -0.01 0.52 -0.19 -0.69 0.00 0.00 0.00 174.94 174.58 3dy3 s VAL 178 N -0.36 1.91 0.00 2.92 1.01 -0.54 -1.10 120.40 124.24 3dy3 s VAL 178 Ca 0.04 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.15 3dy3 s VAL 178 Cb -0.11 -1.73 -0.00 0.00 0.00 0.00 0.00 36.38 34.55 3dy3 s VAL 178 CO 0.01 0.52 0.00 -0.90 0.00 0.00 0.00 175.10 174.73 3dy3 n ASP 179 N 4.45 -0.01 -0.00 3.32 5.68 -0.25 -1.42 116.55 128.31 3dy3 n ASP 179 Ca -0.20 -1.03 0.21 0.00 -0.50 0.00 0.00 54.79 53.28 3dy3 n ASP 179 Cb 0.51 0.03 0.71 0.00 -1.14 0.00 0.00 41.12 41.22 3dy3 n ASP 179 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 3dy3 h LYS 180 N 0.00 0.00 -0.06 0.11 2.10 -1.93 -0.64 116.57 116.15 3dy3 h LYS 180 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3dy3 h LYS 180 Cb 0.01 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.34 3dy3 h LYS 180 CO 0.00 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.20 3dy3 n ASP 181 N -4.26 1.93 0.00 7.07 8.00 -1.26 -5.06 116.55 122.97 3dy3 n ASP 181 Ca 0.10 -1.66 0.00 0.00 0.71 0.00 0.00 54.79 53.94 3dy3 n ASP 181 Cb 0.64 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.71 3dy3 n ASP 181 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3dy3 n GLY 183 N 1.22 0.32 3.36 0.44 0.00 -0.25 -5.03 105.19 105.26 3dy3 n GLY 183 Ca 0.18 -2.04 -0.32 0.00 0.00 0.00 0.00 46.02 43.83 3dy3 n GLY 183 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dy3 s ILE 184 N -0.33 2.73 0.00 -0.61 1.01 -1.24 -1.09 121.20 121.67 3dy3 s ILE 184 Ca 0.00 -0.81 -0.06 0.00 0.00 0.00 0.00 60.65 59.78 3dy3 s ILE 184 Cb 0.00 -2.08 -0.00 0.00 0.01 0.00 0.00 42.46 40.39 3dy3 s ILE 184 CO 0.00 0.56 0.12 0.00 0.00 0.00 0.00 174.94 175.62 3dy3 s ARG 185 N -0.07 0.46 -0.18 2.79 1.70 -0.26 -4.98 118.95 118.41 3dy3 s ARG 185 Ca -0.04 -0.42 -0.07 0.00 -0.47 0.00 0.00 55.73 54.74 3dy3 s ARG 185 Cb -0.14 0.19 -0.04 0.00 -0.57 0.00 0.00 34.95 34.39 3dy3 s ARG 185 CO 0.04 -0.11 0.06 -1.14 -1.08 0.00 0.00 175.30 173.07 3dy3 s GLN 186 N -1.38 3.96 -1.47 3.89 0.74 -1.26 -0.16 119.66 123.99 3dy3 s GLN 186 Ca -0.15 -0.35 -0.13 0.00 0.05 0.00 0.00 55.36 54.78 3dy3 s GLN 186 Cb -0.08 -3.19 0.03 0.00 1.10 0.00 0.00 33.01 30.87 3dy3 s GLN 186 CO 0.01 0.28 2.31 0.28 -0.55 0.00 0.00 175.29 177.62 3dy3 n VAL 187 N 3.52 3.70 0.00 1.34 0.31 -0.75 -4.80 118.33 121.65 3dy3 n VAL 187 Ca -0.17 -3.10 0.00 0.00 -0.01 0.00 0.00 64.34 61.07 3dy3 n VAL 187 Cb 0.52 -2.58 0.00 0.00 -0.91 0.00 0.00 33.84 30.87 3dy3 n VAL 187 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 3dy3 n ASP 188 N 5.43 0.00 -3.56 4.52 3.85 -1.26 -3.28 116.55 122.25 3dy3 n ASP 188 Ca 0.55 0.05 -0.27 0.00 -0.71 0.00 0.00 54.79 54.41 3dy3 n ASP 188 Cb 0.36 -0.05 -0.10 0.00 -1.35 0.00 0.00 41.12 39.98 3dy3 n ASP 188 CO 0.00 0.00 0.00 -0.90 -1.01 0.00 0.00 177.20 175.29 3dy3 n ASP 189 N -0.83 2.13 0.00 -1.12 5.75 -1.26 -4.75 116.55 116.48 3dy3 n ASP 189 Ca 0.00 -3.04 0.00 0.00 -0.01 0.00 0.00 54.79 51.74 3dy3 n ASP 189 Cb 0.07 -0.68 0.00 0.00 -1.03 0.00 0.00 41.12 39.49 3dy3 n ASP 189 CO 0.00 0.00 0.00 0.33 -0.11 0.00 0.00 177.20 177.42 3dy3 n PHE 190 N 1.72 0.00 0.65 2.11 -0.00 -1.21 -4.23 117.46 116.51 3dy3 n PHE 190 Ca 0.25 0.00 0.04 0.00 -0.00 0.00 0.00 57.45 57.74 3dy3 n PHE 190 Cb 0.42 0.00 0.25 0.00 -0.00 0.00 0.00 39.48 40.15 3dy3 n PHE 190 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 3dy3 n GLN 191 N -0.66 0.32 0.00 -4.13 3.00 -1.26 -3.40 117.38 111.25 3dy3 n GLN 191 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3dy3 n GLN 191 Cb 0.01 -1.41 0.00 0.00 0.00 0.00 0.00 30.24 28.84 3dy3 n GLN 191 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3dy3 n ALA 192 N -0.91 0.00 0.90 -1.58 0.00 -1.26 -5.20 120.51 112.46 3dy3 n ALA 192 Ca 0.06 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.61 3dy3 n ALA 192 Cb 0.03 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.57 3dy3 n ALA 192 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44