#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 2.83 -0.21 6.12 1.01 -1.26 -4.97 116.67 120.19 3dy3 s ASP 1 Ca 0.00 0.46 -0.08 0.00 0.71 0.00 0.00 52.55 53.64 3dy3 s ASP 1 Cb 0.00 -0.64 -0.04 0.00 1.01 0.00 0.00 42.92 43.25 3dy3 s ASP 1 CO 0.00 -2.93 0.09 -0.63 0.21 0.00 0.00 175.17 171.91 3dy3 s ILE 2 N -3.62 4.87 -0.26 0.77 1.01 -1.26 -4.86 121.20 117.85 3dy3 s ILE 2 Ca 0.71 0.00 -0.02 0.00 0.00 0.00 0.00 60.65 61.35 3dy3 s ILE 2 Cb -0.07 -3.23 0.08 0.00 0.01 0.00 0.00 42.46 39.26 3dy3 s ILE 2 CO 0.53 0.41 0.07 -0.63 0.00 0.00 0.00 174.94 175.32 3dy3 s ILE 3 N 0.78 0.66 0.15 2.92 -1.09 -1.26 -1.61 121.20 121.74 3dy3 s ILE 3 Ca 0.05 -1.02 0.09 0.00 -2.23 0.00 0.00 60.65 57.54 3dy3 s ILE 3 Cb -0.13 -1.36 -0.04 0.00 -1.58 0.00 0.00 42.46 39.34 3dy3 s ILE 3 CO 0.02 -0.50 -0.17 -0.76 -1.23 0.00 0.00 174.94 172.30 3dy3 s LEU 4 N 1.75 2.71 -0.16 2.97 1.43 -0.20 -2.62 118.68 124.56 3dy3 s LEU 4 Ca 0.05 -0.63 -0.14 0.00 -1.03 0.00 0.00 54.13 52.39 3dy3 s LEU 4 Cb -0.17 -1.49 0.05 0.00 0.03 0.00 0.00 46.19 44.60 3dy3 s LEU 4 CO -0.20 0.15 0.43 -0.83 0.23 0.00 0.00 176.35 176.12 3dy3 s GLY 5 N -2.43 -0.33 -0.07 -3.19 0.00 -0.37 -1.54 107.32 99.39 3dy3 s GLY 5 Ca 0.20 1.29 -0.03 0.00 0.00 0.00 0.00 44.72 46.18 3dy3 s GLY 5 CO 0.11 1.19 0.15 -1.50 0.00 0.00 0.00 173.10 173.05 3dy3 s ILE 6 N 0.49 -0.11 -0.34 0.90 2.07 -0.03 -0.83 121.20 123.34 3dy3 s ILE 6 Ca -0.02 0.23 -0.13 0.00 -1.41 0.00 0.00 60.65 59.32 3dy3 s ILE 6 Cb -0.04 -0.25 -0.01 0.00 0.13 0.00 0.00 42.46 42.29 3dy3 s ILE 6 CO -0.02 0.09 0.23 -0.60 -1.91 0.00 0.00 174.94 172.73 3dy3 s ARG 7 N 1.47 3.42 0.00 3.50 3.52 0.41 -0.35 118.95 130.91 3dy3 s ARG 7 Ca -0.06 -0.69 0.00 0.00 -0.13 0.00 0.00 55.73 54.85 3dy3 s ARG 7 Cb -0.12 -3.79 0.00 0.00 -1.56 0.00 0.00 34.95 29.48 3dy3 s ARG 7 CO -0.06 -0.47 0.00 1.33 -0.81 0.00 0.00 175.30 175.29 3dy3 n VAL 8 N 5.09 0.00 0.17 7.11 0.24 -0.17 -4.83 118.33 125.94 3dy3 n VAL 8 Ca -0.13 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.03 3dy3 n VAL 8 Cb 0.49 -0.29 -0.08 0.00 -1.47 0.00 0.00 33.84 32.49 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 -0.40 -0.10 7.34 5.75 -1.12 -3.38 115.11 123.20 3dy3 h GLN 9 Ca 0.00 0.03 -0.13 0.00 -0.15 0.00 0.00 58.65 58.40 3dy3 h GLN 9 Cb 0.00 0.09 -0.20 0.00 1.07 0.00 0.00 27.48 28.44 3dy3 h GLN 9 CO 0.00 -0.14 -0.76 -0.25 -2.65 0.00 0.00 178.83 175.03 3dy3 n ASP 10 N -5.18 1.77 -3.61 -0.69 8.00 -1.26 -4.60 116.55 110.97 3dy3 n ASP 10 Ca -0.10 -3.11 0.01 0.00 0.71 0.00 0.00 54.79 52.30 3dy3 n ASP 10 Cb 0.24 -0.43 -0.01 0.00 -0.02 0.00 0.00 41.12 40.90 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 -2.89 -0.06 -0.04 -2.24 1.04 -1.26 -4.41 113.70 103.84 3dy3 s SER 11 Ca 0.37 -0.11 0.06 0.00 0.48 0.00 0.00 55.95 56.74 3dy3 s SER 11 Cb 0.38 0.15 -0.01 0.00 0.10 0.00 0.00 66.02 66.64 3dy3 s SER 11 CO -0.09 -0.28 -0.21 -0.69 0.98 0.00 0.00 173.24 172.95 3dy3 s VAL 12 N -2.40 1.70 -0.12 5.02 1.01 -0.51 -1.00 120.40 124.11 3dy3 s VAL 12 Ca 0.14 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.23 3dy3 s VAL 12 Cb 0.04 -1.44 -0.02 0.00 0.00 0.00 0.00 36.38 34.97 3dy3 s VAL 12 CO -0.04 0.48 -0.13 -0.63 0.00 0.00 0.00 175.10 174.78 3dy3 s ILE 13 N -0.21 3.04 -0.11 2.22 1.01 0.52 -1.52 121.20 126.15 3dy3 s ILE 13 Ca 0.00 -0.67 0.03 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 0.53 -0.23 -0.76 0.00 0.00 0.00 174.94 174.50 3dy3 s LEU 14 N 0.23 2.15 -0.10 2.97 1.43 -0.49 -0.85 118.68 124.01 3dy3 s LEU 14 Ca -0.09 -0.55 0.04 0.00 -1.03 0.00 0.00 54.13 52.50 3dy3 s LEU 14 Cb -0.15 -1.44 -0.00 0.00 0.03 0.00 0.00 46.19 44.63 3dy3 s LEU 14 CO 0.05 0.14 -0.23 0.00 0.23 0.00 0.00 176.35 176.55 3dy3 s ALA 15 N 0.46 2.23 -0.04 4.21 0.00 -0.59 -1.01 121.76 127.02 3dy3 s ALA 15 Ca -0.15 -0.97 -0.00 0.00 0.00 0.00 0.00 51.96 50.84 3dy3 s ALA 15 Cb -0.17 -0.85 0.03 0.00 0.00 0.00 0.00 23.12 22.12 3dy3 s ALA 15 CO 0.06 0.30 0.01 -1.12 0.00 0.00 0.00 175.76 175.01 3dy3 s SER 16 N 0.29 0.64 0.53 0.00 0.01 -0.76 -1.03 113.70 113.38 3dy3 s SER 16 Ca -0.17 -0.02 -0.21 0.00 1.31 0.00 0.00 55.95 56.87 3dy3 s SER 16 Cb -0.17 -0.23 -0.07 0.00 0.21 0.00 0.00 66.02 65.76 3dy3 s SER 16 CO 0.08 -0.13 1.04 -1.54 0.41 0.00 0.00 173.24 173.10 3dy3 n SER 17 N 4.40 1.24 0.01 2.44 3.41 -0.64 -1.04 113.62 123.44 3dy3 n SER 17 Ca -0.21 0.91 0.11 0.00 -0.26 0.00 0.00 58.87 59.42 3dy3 n SER 17 Cb 0.50 -1.41 -0.01 0.00 -0.26 0.00 0.00 64.21 63.04 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 -0.59 0.17 -2.44 4.33 5.02 0.04 -4.64 118.16 120.05 3dy3 n LYS 18 Ca 0.11 -0.02 -0.39 0.00 -2.02 0.00 0.00 58.31 55.99 3dy3 n LYS 18 Cb 0.44 -1.54 -0.04 0.00 -0.02 0.00 0.00 35.03 33.88 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 -3.12 3.32 -0.32 7.82 0.00 -0.80 -1.10 121.76 127.57 3dy3 s ALA 19 Ca 0.05 0.89 0.00 0.00 0.00 0.00 0.00 51.96 52.91 3dy3 s ALA 19 Cb 0.15 -3.33 0.10 0.00 0.00 0.00 0.00 23.12 20.04 3dy3 s ALA 19 CO 0.82 -0.24 0.09 0.08 0.00 0.00 0.00 175.76 176.51 3dy3 s VAL 20 N -1.28 1.10 -0.14 0.00 1.01 -0.48 -4.91 120.40 115.70 3dy3 s VAL 20 Ca 0.49 -1.57 -0.06 0.00 0.00 0.00 0.00 61.98 60.84 3dy3 s VAL 20 Cb -0.30 -1.83 -0.04 0.00 0.00 0.00 0.00 36.38 34.21 3dy3 s VAL 20 CO 0.39 -0.67 0.10 -0.89 0.00 0.00 0.00 175.10 174.03 3dy3 s THR 21 N 1.49 5.13 -0.47 3.92 2.01 -1.26 -0.17 115.64 126.28 3dy3 s THR 21 Ca 0.10 0.07 0.03 0.00 0.31 0.00 0.00 61.69 62.20 3dy3 s THR 21 Cb -0.18 -3.25 0.14 0.00 0.01 0.00 0.00 72.50 69.23 3dy3 s THR 21 CO -0.22 0.56 0.28 -0.13 -0.69 0.00 0.00 174.62 174.42 3dy3 s ARG 22 N -0.55 1.43 5.18 4.92 1.81 0.45 -4.91 118.95 127.28 3dy3 s ARG 22 Ca 0.11 -2.20 0.00 0.00 -1.72 0.00 0.00 55.73 51.92 3dy3 s ARG 22 Cb -0.12 -2.44 0.00 0.00 -0.45 0.00 0.00 34.95 31.94 3dy3 s ARG 22 CO 0.02 -1.19 0.00 0.41 -0.68 0.00 0.00 175.30 173.86 3dy3 n GLY 23 N 3.28 1.64 0.11 -3.53 0.00 -1.26 -3.14 105.19 102.30 3dy3 n GLY 23 Ca 0.11 -0.05 0.10 0.00 0.00 0.00 0.00 46.02 46.18 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 0.70 -4.69 -0.61 3.06 -1.26 -4.94 119.36 111.62 3dy3 n ILE 24 Ca 0.00 -0.57 -0.31 0.00 -2.50 0.00 0.00 62.75 59.38 3dy3 n ILE 24 Cb 0.00 -0.39 -0.13 0.00 0.54 0.00 0.00 39.64 39.66 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 -5.42 3.66 -0.50 9.51 0.01 -1.19 -5.08 113.70 114.69 3dy3 s SER 25 Ca -0.01 -0.48 -0.20 0.00 1.31 0.00 0.00 55.95 56.57 3dy3 s SER 25 Cb 0.09 -0.53 0.05 0.00 0.21 0.00 0.00 66.02 65.84 3dy3 s SER 25 CO 0.79 0.25 0.68 -0.69 0.41 0.00 0.00 173.24 174.68 3dy3 s VAL 26 N -0.91 4.79 0.22 3.43 1.01 -1.26 -0.41 120.40 127.26 3dy3 s VAL 26 Ca 0.14 -0.27 0.05 0.00 0.00 0.00 0.00 61.98 61.91 3dy3 s VAL 26 Cb -0.10 -4.32 -0.08 0.00 0.00 0.00 0.00 36.38 31.88 3dy3 s VAL 26 CO 0.05 -0.82 1.50 -0.07 0.00 0.00 0.00 175.10 175.76 3dy3 h LEU 27 N 9.91 0.20 -7.79 3.92 3.38 -0.91 -3.47 115.31 120.54 3dy3 h LEU 27 Ca -0.27 -0.13 -0.09 0.00 0.09 0.00 0.00 57.88 57.48 3dy3 h LEU 27 Cb 1.09 -0.06 -0.14 0.00 0.09 0.00 0.00 40.66 41.64 3dy3 h LEU 27 CO 0.97 0.84 -0.37 -0.75 0.09 0.00 0.00 178.44 179.22 3dy3 s LYS 28 N -3.52 0.82 -0.02 1.13 2.20 -1.09 -5.00 119.74 114.27 3dy3 s LYS 28 Ca -0.03 -0.91 0.03 0.00 -0.36 0.00 0.00 55.97 54.70 3dy3 s LYS 28 Cb 0.11 0.34 0.04 0.00 -1.51 0.00 0.00 37.83 36.81 3dy3 s LYS 28 CO 0.80 -0.26 0.96 -0.40 -0.36 0.00 0.00 175.35 176.09 3dy3 n ASP 29 N 0.05 0.35 -2.80 1.43 3.85 -1.25 -1.38 116.55 116.79 3dy3 n ASP 29 Ca -0.16 -2.03 -0.02 0.00 -0.71 0.00 0.00 54.79 51.88 3dy3 n ASP 29 Cb 0.62 -0.20 0.05 0.00 -1.35 0.00 0.00 41.12 40.24 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 -0.20 1.40 -4.70 -1.12 3.41 -1.09 -4.58 113.62 106.73 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 0.66 -0.43 -0.05 0.00 -0.26 0.00 0.00 64.21 64.13 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 -3.56 6.84 -0.65 4.04 -1.08 -0.26 -5.01 116.67 116.98 3dy3 s ASP 31 Ca 0.26 1.01 -0.18 0.00 -0.52 0.00 0.00 52.55 53.12 3dy3 s ASP 31 Cb 0.35 -2.37 0.12 0.00 -1.46 0.00 0.00 42.92 39.56 3dy3 s ASP 31 CO -0.03 -0.16 0.74 -0.62 0.52 0.00 0.00 175.17 175.61 3dy3 s ASP 32 N 0.92 6.29 -0.75 -0.34 3.68 -1.26 -4.30 116.67 120.91 3dy3 s ASP 32 Ca 0.33 -1.66 -0.08 0.00 2.13 0.00 0.00 52.55 53.27 3dy3 s ASP 32 Cb -0.17 -2.29 -0.17 0.00 -1.45 0.00 0.00 42.92 38.84 3dy3 s ASP 32 CO 0.14 -1.03 3.28 0.29 0.13 0.00 0.00 175.17 177.98 3dy3 n LYS 33 N 6.02 2.82 -3.67 4.34 5.02 -1.26 -4.85 118.16 126.57 3dy3 n LYS 33 Ca -0.04 -1.63 -0.13 0.00 -2.02 0.00 0.00 58.31 54.49 3dy3 n LYS 33 Cb 0.43 -2.36 -0.07 0.00 -0.02 0.00 0.00 35.03 33.01 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 1.32 0.05 0.02 -0.18 -1.32 -1.26 -2.03 115.64 112.25 3dy3 s THR 34 Ca 0.68 -0.43 0.03 0.00 -1.21 0.00 0.00 61.69 60.76 3dy3 s THR 34 Cb 0.26 -0.90 -0.02 0.00 -1.51 0.00 0.00 72.50 70.34 3dy3 s THR 34 CO -0.04 -0.24 -0.09 -0.13 -2.21 0.00 0.00 174.62 171.92 3dy3 s ARG 35 N -2.18 0.62 -0.32 7.08 1.81 -0.49 -5.00 118.95 120.46 3dy3 s ARG 35 Ca -0.07 -0.54 -0.18 0.00 -1.72 0.00 0.00 55.73 53.22 3dy3 s ARG 35 Cb -0.01 -0.53 -0.01 0.00 -0.45 0.00 0.00 34.95 33.94 3dy3 s ARG 35 CO -0.00 0.13 0.51 -1.14 -0.68 0.00 0.00 175.30 174.11 3dy3 s GLN 36 N -0.88 3.79 0.10 3.54 0.74 -1.26 -1.30 119.66 124.38 3dy3 s GLN 36 Ca -0.02 0.01 0.04 0.00 0.05 0.00 0.00 55.36 55.44 3dy3 s GLN 36 Cb -0.06 -3.75 -0.23 0.00 1.10 0.00 0.00 33.01 30.07 3dy3 s GLN 36 CO 0.00 -0.53 1.21 -0.07 -0.55 0.00 0.00 175.29 175.35 3dy3 h LEU 37 N 8.97 0.11 -7.10 3.68 3.38 -1.46 -3.48 115.31 119.41 3dy3 h LEU 37 Ca -0.28 -0.12 0.08 0.00 0.09 0.00 0.00 57.88 57.64 3dy3 h LEU 37 Cb 1.13 -0.04 -0.13 0.00 0.09 0.00 0.00 40.66 41.72 3dy3 h LEU 37 CO 0.75 1.09 0.40 -0.94 0.09 0.00 0.00 178.44 179.83 3dy3 s SER 38 N -6.79 -0.40 0.45 -0.43 1.04 -1.08 -4.26 113.70 102.23 3dy3 s SER 38 Ca -0.01 -0.06 0.35 0.00 0.48 0.00 0.00 55.95 56.71 3dy3 s SER 38 Cb 0.09 0.47 1.49 0.00 0.10 0.00 0.00 66.02 68.18 3dy3 s SER 38 CO 0.84 -0.78 1.50 -0.81 0.98 0.00 0.00 173.24 174.97 3dy3 n PRO 39 N -0.32 -0.03 -0.20 4.02 -0.04 -1.26 -0.63 135.00 136.55 3dy3 n PRO 39 Ca -0.11 1.17 0.08 0.00 -0.04 0.00 0.00 63.50 64.60 3dy3 n PRO 39 Cb 0.63 -2.39 0.17 0.00 -0.04 0.00 0.00 33.50 31.86 3dy3 n PRO 39 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3dy3 n HIS 40 N -4.46 0.35 -3.93 0.54 8.25 -1.26 -3.64 115.22 111.07 3dy3 n HIS 40 Ca 0.40 -0.87 -0.20 0.00 -0.26 0.00 0.00 57.72 56.79 3dy3 n HIS 40 Cb 1.61 -0.19 -0.17 0.00 1.12 0.00 0.00 29.99 32.37 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 -2.54 0.32 0.00 1.59 2.01 0.20 -1.36 115.64 115.86 3dy3 s THR 41 Ca 0.32 0.06 0.06 0.00 0.31 0.00 0.00 61.69 62.44 3dy3 s THR 41 Cb 0.26 -0.43 -0.02 0.00 0.01 0.00 0.00 72.50 72.33 3dy3 s THR 41 CO 0.05 0.21 -0.20 -0.22 -0.69 0.00 0.00 174.62 173.77 3dy3 s LEU 42 N 1.36 2.08 -0.09 4.42 2.96 0.44 -1.06 118.68 128.78 3dy3 s LEU 42 Ca -0.05 -0.41 0.02 0.00 -0.22 0.00 0.00 54.13 53.47 3dy3 s LEU 42 Cb -0.13 -1.01 0.02 0.00 0.50 0.00 0.00 46.19 45.57 3dy3 s LEU 42 CO -0.02 0.22 -0.13 -0.32 -1.32 0.00 0.00 176.35 174.77 3dy3 s MET 43 N -0.70 1.91 0.25 1.98 -2.45 -0.42 -0.34 119.30 119.54 3dy3 s MET 43 Ca 0.08 -0.45 0.05 0.00 -1.25 0.00 0.00 55.69 54.11 3dy3 s MET 43 Cb -0.08 -1.66 -0.03 0.00 1.25 0.00 0.00 34.83 34.31 3dy3 s MET 43 CO 0.00 -0.06 0.37 -1.54 1.05 0.00 0.00 175.02 174.84 3dy3 s SER 44 N 0.99 6.26 0.10 1.11 1.04 -0.05 -1.40 113.70 121.75 3dy3 s SER 44 Ca -0.08 0.03 -0.21 0.00 0.48 0.00 0.00 55.95 56.17 3dy3 s SER 44 Cb -0.15 -1.76 0.06 0.00 0.10 0.00 0.00 66.02 64.27 3dy3 s SER 44 CO -0.01 -0.12 0.53 0.72 0.98 0.00 0.00 173.24 175.34 3dy3 s PHE 45 N -2.01 -0.42 0.03 5.02 -0.12 -0.86 -1.80 117.98 117.81 3dy3 s PHE 45 Ca 0.36 0.30 -0.23 0.00 -0.05 0.00 0.00 56.93 57.31 3dy3 s PHE 45 Cb -0.09 0.40 0.05 0.00 -0.63 0.00 0.00 43.02 42.76 3dy3 s PHE 45 CO 0.29 -0.73 0.52 0.00 -0.05 0.00 0.00 175.22 175.25 3dy3 s ALA 46 N -3.21 -1.34 0.00 1.99 0.00 -0.64 -4.87 121.76 113.69 3dy3 s ALA 46 Ca -0.01 0.66 0.00 0.00 0.00 0.00 0.00 51.96 52.60 3dy3 s ALA 46 Cb -0.00 0.32 0.00 0.00 0.00 0.00 0.00 23.12 23.44 3dy3 s ALA 46 CO -0.08 -0.47 0.00 0.41 0.00 0.00 0.00 175.76 175.62 3dy3 n GLY 47 N 0.52 0.37 3.63 0.00 0.00 -1.26 -0.87 105.19 107.58 3dy3 n GLY 47 Ca -0.19 -1.36 -0.42 0.00 0.00 0.00 0.00 46.02 44.06 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 1.51 -0.05 1.61 4.07 0.96 -4.85 120.64 123.89 3dy3 n GLU 48 Ca 0.00 0.54 -0.02 0.00 -0.06 0.00 0.00 57.16 57.62 3dy3 n GLU 48 Cb 0.00 -2.08 -0.01 0.00 -0.06 0.00 0.00 31.44 29.28 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 1.79 -0.17 0.08 4.31 0.00 -2.00 -2.63 119.26 120.63 3dy3 h ALA 49 Ca -0.44 0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.31 3dy3 h ALA 49 Cb 1.33 0.96 0.02 0.00 0.00 0.00 0.00 17.79 20.09 3dy3 h ALA 49 CO 0.58 -0.23 -0.72 0.78 0.00 0.00 0.00 179.25 179.67 3dy3 h GLY 50 N -0.02 0.39 -0.41 0.00 0.00 -1.98 -3.36 103.07 97.69 3dy3 h GLY 50 Ca 0.02 -0.84 0.26 0.00 0.00 0.00 0.00 47.33 46.76 3dy3 h GLY 50 CO -0.12 0.74 0.37 -0.55 0.00 0.00 0.00 176.54 176.98 3dy3 h ASP 51 N -0.25 0.23 -0.15 0.19 3.32 -1.92 -2.69 116.42 115.15 3dy3 h ASP 51 Ca -0.11 0.19 0.02 0.00 0.02 0.00 0.00 57.03 57.14 3dy3 h ASP 51 Cb 1.49 0.20 -0.03 0.00 0.22 0.00 0.00 39.33 41.21 3dy3 h ASP 51 CO 0.14 -0.11 -0.22 0.74 -1.72 0.00 0.00 179.24 178.07 3dy3 h THR 52 N 0.29 0.00 -0.24 0.35 2.02 -1.62 0.17 112.91 113.89 3dy3 h THR 52 Ca 0.61 0.00 -0.18 0.00 0.77 0.00 0.00 66.41 67.60 3dy3 h THR 52 Cb 1.26 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 67.67 3dy3 h THR 52 CO -0.61 0.00 -0.59 0.58 0.37 0.00 0.00 175.52 175.27 3dy3 h VAL 53 N -0.16 1.29 -0.86 3.16 2.07 -1.78 -2.26 116.25 117.70 3dy3 h VAL 53 Ca 0.03 -1.80 0.10 0.00 0.82 0.00 0.00 66.70 65.85 3dy3 h VAL 53 Cb 0.24 1.73 -0.08 0.00 -1.52 0.00 0.00 31.29 31.66 3dy3 h VAL 53 CO -0.23 0.58 0.51 1.56 0.02 0.00 0.00 177.57 180.00 3dy3 h GLN 54 N 0.58 0.82 -0.04 1.57 1.08 -1.30 0.41 115.11 118.22 3dy3 h GLN 54 Ca 0.00 -0.05 -0.02 0.00 -1.45 0.00 0.00 58.65 57.14 3dy3 h GLN 54 Cb 1.18 -0.18 -0.00 0.00 -0.05 0.00 0.00 27.48 28.43 3dy3 h GLN 54 CO 0.12 0.54 -0.04 0.35 -0.95 0.00 0.00 178.83 178.86 3dy3 h PHE 55 N 0.84 0.11 -0.40 2.96 3.04 -0.57 -2.28 116.94 120.64 3dy3 h PHE 55 Ca 0.42 -0.03 0.05 0.00 3.98 0.00 0.00 57.97 62.38 3dy3 h PHE 55 Cb 0.38 -0.02 -0.04 0.00 2.56 0.00 0.00 35.95 38.82 3dy3 h PHE 55 CO -0.05 0.55 0.15 0.00 -2.02 0.00 0.00 178.31 176.94 3dy3 h ALA 56 N 0.55 0.48 -0.28 2.41 0.00 -0.93 -0.64 119.26 120.84 3dy3 h ALA 56 Ca 0.01 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 3dy3 h ALA 56 Cb 0.52 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3dy3 h ALA 56 CO 0.01 -0.23 -0.21 0.93 0.00 0.00 0.00 179.25 179.75 3dy3 h GLU 57 N 0.32 0.52 -0.58 0.00 5.08 -0.98 -0.48 114.58 118.46 3dy3 h GLU 57 Ca 0.18 -0.18 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 3dy3 h GLU 57 Cb 0.16 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 3dy3 h GLU 57 CO -0.18 0.70 0.15 -0.92 -1.00 0.00 0.00 179.01 177.76 3dy3 h TYR 58 N 0.47 0.97 -0.24 4.33 3.20 -0.89 -0.19 116.97 124.62 3dy3 h TYR 58 Ca 0.07 -0.11 -0.04 0.00 3.14 0.00 0.00 58.73 61.79 3dy3 h TYR 58 Cb 0.62 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.61 3dy3 h TYR 58 CO 0.02 0.83 -0.00 0.82 -1.64 0.00 0.00 178.16 178.19 3dy3 h ILE 59 N 0.84 1.26 0.06 1.81 1.08 -0.78 -2.57 117.51 119.20 3dy3 h ILE 59 Ca 0.18 -0.90 0.03 0.00 -0.39 0.00 0.00 64.86 63.78 3dy3 h ILE 59 Cb 0.34 1.38 -0.04 0.00 -3.07 0.00 0.00 36.82 35.42 3dy3 h ILE 59 CO 0.00 0.28 -0.29 -0.61 -0.69 0.00 0.00 178.15 176.84 3dy3 h GLN 60 N 0.19 -0.46 -0.82 2.37 4.15 -0.88 -0.90 115.11 118.76 3dy3 h GLN 60 Ca 0.07 0.03 0.17 0.00 0.77 0.00 0.00 58.65 59.68 3dy3 h GLN 60 Cb 0.41 0.10 -0.10 0.00 0.21 0.00 0.00 27.48 28.10 3dy3 h GLN 60 CO 0.01 -0.31 0.36 0.00 -1.93 0.00 0.00 178.83 176.97 3dy3 h ALA 61 N 0.25 1.22 -0.45 3.38 0.00 -1.01 -0.45 119.26 122.21 3dy3 h ALA 61 Ca 0.05 0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.96 3dy3 h ALA 61 Cb 0.53 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3dy3 h ALA 61 CO -0.21 -0.21 -0.17 -0.91 0.00 0.00 0.00 179.25 177.75 3dy3 h ASN 62 N 0.48 0.94 0.03 0.00 4.21 -0.91 -1.67 115.58 118.67 3dy3 h ASN 62 Ca 0.47 -0.39 -0.11 0.00 1.21 0.00 0.00 56.30 57.48 3dy3 h ASN 62 Cb 0.76 -0.26 -0.01 0.00 -1.12 0.00 0.00 38.32 37.69 3dy3 h ASN 62 CO -0.43 1.11 -0.33 0.40 -1.29 0.00 0.00 177.43 176.89 3dy3 h ILE 63 N 0.76 1.29 -0.46 2.81 1.08 -0.37 -1.42 117.51 121.19 3dy3 h ILE 63 Ca 0.11 -1.41 -0.09 0.00 -0.39 0.00 0.00 64.86 63.08 3dy3 h ILE 63 Cb 0.74 1.50 -0.02 0.00 -3.07 0.00 0.00 36.82 35.96 3dy3 h ILE 63 CO 0.06 0.44 -0.08 1.56 -0.69 0.00 0.00 178.15 179.43 3dy3 h GLN 64 N 0.37 0.81 -0.25 2.37 4.20 -0.97 -1.20 115.11 120.45 3dy3 h GLN 64 Ca 0.04 -0.26 -0.03 0.00 0.06 0.00 0.00 58.65 58.47 3dy3 h GLN 64 Cb 0.77 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.46 3dy3 h GLN 64 CO 0.06 0.87 0.06 1.25 -0.67 0.00 0.00 178.83 180.39 3dy3 h LEU 65 N 0.74 0.38 -0.62 1.46 5.85 -0.91 -2.22 115.31 119.98 3dy3 h LEU 65 Ca 0.13 -0.24 0.04 0.00 0.84 0.00 0.00 57.88 58.65 3dy3 h LEU 65 Cb 0.56 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.45 3dy3 h LEU 65 CO 0.03 0.52 0.36 0.22 -0.34 0.00 0.00 178.44 179.24 3dy3 h TYR 66 N 0.23 0.68 -0.23 1.25 3.20 -1.00 -1.44 116.97 119.65 3dy3 h TYR 66 Ca 0.08 0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.01 3dy3 h TYR 66 Cb 0.29 -0.21 -0.04 0.00 1.54 0.00 0.00 36.73 38.31 3dy3 h TYR 66 CO 0.01 0.36 0.00 0.77 -1.64 0.00 0.00 178.16 177.67 3dy3 h SER 67 N 0.70 -0.08 -0.19 -2.11 0.02 -1.02 -0.73 113.55 110.14 3dy3 h SER 67 Ca 0.26 0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 61.24 3dy3 h SER 67 Cb 0.09 0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 3dy3 h SER 67 CO -0.14 -0.01 0.03 0.40 -1.14 0.00 0.00 176.83 175.97 3dy3 h ILE 68 N 0.08 1.23 -0.78 3.27 2.04 -1.03 1.23 117.51 123.55 3dy3 h ILE 68 Ca 0.11 -0.75 0.04 0.00 1.00 0.00 0.00 64.86 65.26 3dy3 h ILE 68 Cb 0.14 1.36 -0.05 0.00 -0.74 0.00 0.00 36.82 37.53 3dy3 h ILE 68 CO -0.18 0.23 0.49 -0.09 0.00 0.00 0.00 178.15 178.60 3dy3 h ARG 69 N 0.10 0.92 -0.01 2.37 2.43 -1.11 -2.92 114.38 116.15 3dy3 h ARG 69 Ca 0.06 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3dy3 h ARG 69 Cb 0.32 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 3dy3 h ARG 69 CO 0.00 0.61 -0.60 0.39 -1.51 0.00 0.00 179.97 178.86 3dy3 n GLU 70 N -4.62 0.75 -3.85 0.20 4.71 -0.29 -4.97 120.64 112.57 3dy3 n GLU 70 Ca 0.09 -0.60 -0.29 0.00 -0.01 0.00 0.00 57.16 56.35 3dy3 n GLU 70 Cb 0.10 -1.49 0.01 0.00 -1.01 0.00 0.00 31.44 29.05 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 -0.60 -2.51 -3.48 1.62 4.64 0.42 -4.95 116.55 111.69 3dy3 n ASP 71 Ca 0.08 -1.03 -0.15 0.00 -1.38 0.00 0.00 54.79 52.31 3dy3 n ASP 71 Cb 0.41 -3.09 -0.04 0.00 -1.04 0.00 0.00 41.12 37.36 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 -0.58 -0.32 -0.67 5.04 -0.99 -5.05 117.35 111.05 3dy3 s TYR 72 Ca 0.22 0.72 -0.07 0.00 -2.44 0.00 0.00 57.07 55.50 3dy3 s TYR 72 Cb -0.09 0.48 0.02 0.00 0.35 0.00 0.00 41.96 42.73 3dy3 s TYR 72 CO 0.88 -0.69 0.10 -2.00 -1.34 0.00 0.00 175.55 172.50 3dy3 s GLU 73 N -2.36 2.90 0.45 4.97 2.12 -1.26 -4.09 118.70 121.44 3dy3 s GLU 73 Ca -0.05 -0.99 -0.24 0.00 0.36 0.00 0.00 54.97 54.05 3dy3 s GLU 73 Cb -0.00 -3.43 -0.09 0.00 0.26 0.00 0.00 34.13 30.86 3dy3 s GLU 73 CO -0.01 -0.54 1.16 1.28 -0.54 0.00 0.00 175.26 176.61 3dy3 n LEU 74 N 4.86 3.69 -4.67 2.70 4.77 -1.26 -4.94 117.00 122.14 3dy3 n LEU 74 Ca -0.14 1.04 -0.31 0.00 -0.03 0.00 0.00 56.01 56.58 3dy3 n LEU 74 Cb 0.47 -1.45 0.16 0.00 -2.33 0.00 0.00 43.42 40.27 3dy3 n LEU 74 CO 0.32 -1.04 0.67 -0.94 -1.33 0.00 0.00 177.39 175.07 3dy3 s SER 75 N -0.72 2.99 0.23 -1.43 1.04 -1.26 -4.74 113.70 109.81 3dy3 s SER 75 Ca 0.64 2.07 -0.08 0.00 0.48 0.00 0.00 55.95 59.06 3dy3 s SER 75 Cb -0.50 -2.53 0.21 0.00 0.10 0.00 0.00 66.02 63.29 3dy3 s SER 75 CO 0.55 -3.04 1.90 -0.65 0.98 0.00 0.00 173.24 172.99 3dy3 h PRO 76 N -1.82 1.15 -0.71 4.02 0.11 -1.92 -1.06 132.00 131.77 3dy3 h PRO 76 Ca -0.45 -0.07 0.03 0.00 0.11 0.00 0.00 66.00 65.62 3dy3 h PRO 76 Cb 1.27 -0.26 -0.04 0.00 0.11 0.00 0.00 31.00 32.08 3dy3 h PRO 76 CO 0.44 0.76 0.45 0.37 -0.21 0.00 0.00 178.00 179.81 3dy3 h GLN 77 N 1.19 0.86 -0.47 1.05 -0.00 -1.98 0.11 115.11 115.86 3dy3 h GLN 77 Ca 0.32 -0.05 -0.08 0.00 -0.00 0.00 0.00 58.65 58.84 3dy3 h GLN 77 Cb -0.14 -0.19 -0.02 0.00 0.00 0.00 0.00 27.48 27.13 3dy3 h GLN 77 CO -0.07 0.57 -0.00 0.00 0.00 0.00 0.00 178.83 179.33 3dy3 h ALA 78 N 1.30 0.64 -0.73 3.38 0.00 -1.76 -1.29 119.26 120.79 3dy3 h ALA 78 Ca 0.28 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 3dy3 h ALA 78 Cb 0.00 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 3dy3 h ALA 78 CO -0.10 0.44 0.28 0.28 0.00 0.00 0.00 179.25 180.15 3dy3 h VAL 79 N 0.69 1.25 -0.16 0.00 2.07 -0.66 -1.67 116.25 117.77 3dy3 h VAL 79 Ca 0.13 -0.81 -0.10 0.00 0.82 0.00 0.00 66.70 66.75 3dy3 h VAL 79 Cb 0.51 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 3dy3 h VAL 79 CO 0.02 0.33 -0.32 0.77 0.02 0.00 0.00 177.57 178.39 3dy3 h SER 80 N 1.06 0.33 -0.41 0.57 4.64 -0.54 -1.80 113.55 117.38 3dy3 h SER 80 Ca 0.24 -0.12 -0.14 0.00 -0.47 0.00 0.00 61.79 61.30 3dy3 h SER 80 Cb 0.23 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.22 3dy3 h SER 80 CO -0.02 0.64 -0.29 0.28 -0.87 0.00 0.00 176.83 176.57 3dy3 h SER 81 N 0.28 0.99 -0.42 4.97 0.02 -0.85 -0.86 113.55 117.67 3dy3 h SER 81 Ca 0.04 -0.40 -0.01 0.00 -0.84 0.00 0.00 61.79 60.57 3dy3 h SER 81 Cb 0.71 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.95 3dy3 h SER 81 CO 0.05 1.20 0.22 0.15 -1.14 0.00 0.00 176.83 177.30 3dy3 h PHE 82 N 0.80 0.60 -0.66 3.45 3.04 -1.00 -1.58 116.94 121.58 3dy3 h PHE 82 Ca 0.09 -0.02 -0.06 0.00 3.98 0.00 0.00 57.97 61.96 3dy3 h PHE 82 Cb 0.87 -0.19 -0.03 0.00 2.56 0.00 0.00 35.95 39.16 3dy3 h PHE 82 CO 0.05 0.48 0.19 0.28 -2.02 0.00 0.00 178.31 177.29 3dy3 h VAL 83 N 0.55 1.25 -0.18 1.41 2.07 -1.16 -1.81 116.25 118.37 3dy3 h VAL 83 Ca 0.15 -0.88 -0.01 0.00 0.82 0.00 0.00 66.70 66.77 3dy3 h VAL 83 Cb 0.09 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 3dy3 h VAL 83 CO -0.02 0.34 0.06 -0.09 0.02 0.00 0.00 177.57 177.88 3dy3 h ARG 84 N 0.98 0.28 -0.66 1.57 2.43 -0.84 -1.79 114.38 116.35 3dy3 h ARG 84 Ca 0.21 -0.06 0.10 0.00 -0.81 0.00 0.00 59.98 59.42 3dy3 h ARG 84 Cb 0.31 -0.04 -0.07 0.00 -0.42 0.00 0.00 29.97 29.74 3dy3 h ARG 84 CO -0.00 0.38 0.28 0.37 -1.51 0.00 0.00 179.97 179.49 3dy3 h GLN 85 N 0.12 0.46 -0.60 0.20 4.15 -1.02 0.17 115.11 118.59 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 0.22 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 27.78 3dy3 h GLN 85 CO -0.00 0.31 0.34 0.93 -1.93 0.00 0.00 178.83 178.47 3dy3 h GLU 86 N 0.48 0.83 -0.24 1.69 4.39 -1.06 -2.05 114.58 118.61 3dy3 h GLU 86 Ca 0.34 -0.09 -0.13 0.00 0.34 0.00 0.00 59.36 59.82 3dy3 h GLU 86 Cb 0.41 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 3dy3 h GLU 86 CO -0.31 0.62 -0.38 -0.07 -1.16 0.00 0.00 179.01 177.71 3dy3 h LEU 87 N 0.81 0.57 -1.37 1.33 3.38 -0.41 -2.21 115.31 117.41 3dy3 h LEU 87 Ca 0.21 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 3dy3 h LEU 87 Cb 0.02 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 3dy3 h LEU 87 CO -0.04 0.90 0.09 0.00 0.09 0.00 0.00 178.44 179.48 3dy3 h ALA 88 N 1.13 1.50 0.29 1.53 0.00 -0.41 -2.10 119.26 121.21 3dy3 h ALA 88 Ca 0.04 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3dy3 h ALA 88 Cb 0.87 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3dy3 h ALA 88 CO 0.07 0.37 -0.14 0.87 0.00 0.00 0.00 179.25 180.43 3dy3 h LYS 89 N 0.51 -0.38 -1.00 0.00 1.57 -1.06 -3.14 116.57 113.06 3dy3 h LYS 89 Ca 0.12 0.03 0.34 0.00 -1.87 0.00 0.00 60.65 59.27 3dy3 h LYS 89 Cb 0.19 0.09 -0.16 0.00 0.08 0.00 0.00 32.23 32.42 3dy3 h LYS 89 CO -0.00 -0.05 0.55 1.03 -0.57 0.00 0.00 179.45 180.41 3dy3 h SER 90 N -0.77 0.46 -0.06 0.86 0.87 -1.04 -0.67 113.55 113.20 3dy3 h SER 90 Ca -0.04 0.21 0.02 0.00 -1.23 0.00 0.00 61.79 60.75 3dy3 h SER 90 Cb 0.50 0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 62.63 3dy3 h SER 90 CO 0.07 -0.21 0.05 -0.29 -0.53 0.00 0.00 176.83 175.92 3dy3 h ILE 90 N 0.24 0.79 -0.23 2.23 6.09 -1.34 -2.01 117.51 123.28 3dy3 h ILE 90 Ca 0.76 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 64.25 3dy3 h ILE 90 Cb 1.80 0.96 0.00 0.00 0.47 0.00 0.00 36.82 40.05 3dy3 h ILE 90 CO -0.65 0.00 0.00 0.54 -3.07 0.00 0.00 178.15 174.97 3dy3 n ARG 90 N -4.25 2.76 -2.48 2.19 1.74 -0.27 -4.88 116.66 111.47 3dy3 n ARG 90 Ca -0.01 -2.82 -0.25 0.00 -0.77 0.00 0.00 57.85 54.00 3dy3 n ARG 90 Cb 0.15 -1.81 0.14 0.00 -1.02 0.00 0.00 32.46 29.92 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 3.94 0.17 0.55 1.04 -0.75 -5.01 113.70 111.61 3dy3 s SER 91 Ca 0.41 -0.35 -0.12 0.00 0.48 0.00 0.00 55.95 56.38 3dy3 s SER 91 Cb 0.34 0.12 0.07 0.00 0.10 0.00 0.00 66.02 66.65 3dy3 s SER 91 CO 0.08 -2.15 1.73 -0.09 0.98 0.00 0.00 173.24 173.79 3dy3 h ARG 92 N -0.82 0.88 -2.54 4.02 2.43 -1.94 -3.38 114.38 113.03 3dy3 h ARG 92 Ca -0.37 -0.15 -0.52 0.00 -0.81 0.00 0.00 59.98 58.13 3dy3 h ARG 92 Cb 1.25 -0.15 -0.38 0.00 -0.42 0.00 0.00 29.97 30.28 3dy3 h ARG 92 CO 0.37 0.75 -0.79 0.50 -1.51 0.00 0.00 179.97 179.28 3dy3 s ARG 93 N -5.58 0.43 0.34 0.20 3.52 -1.26 -5.14 118.95 111.45 3dy3 s ARG 93 Ca -0.13 -0.93 -0.29 0.00 -0.13 0.00 0.00 55.73 54.25 3dy3 s ARG 93 Cb 0.13 -1.14 -0.12 0.00 -1.56 0.00 0.00 34.95 32.27 3dy3 s ARG 93 CO 0.79 -1.14 1.49 -2.30 -0.81 0.00 0.00 175.30 173.34 3dy3 n PRO 94 N 4.54 2.57 -2.19 5.12 -0.02 -1.25 -4.97 135.00 138.81 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 -0.66 2.48 -1.14 6.00 2.02 -1.26 -4.93 117.35 119.86 3dy3 s TYR 95 Ca 0.58 0.61 -0.10 0.00 -0.37 0.00 0.00 57.07 57.79 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 -2.83 1.23 1.04 -1.57 0.00 0.00 175.55 173.99 3dy3 n GLN 96 N 6.45 3.56 -4.26 -0.62 6.02 -1.26 -4.85 117.38 122.43 3dy3 n GLN 96 Ca 0.15 -4.31 -0.18 0.00 -0.01 0.00 0.00 57.00 52.65 3dy3 n GLN 96 Cb 0.44 -2.67 -0.15 0.00 1.02 0.00 0.00 30.24 28.88 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 -0.69 0.58 -0.06 5.09 1.01 -1.26 -0.03 120.40 125.05 3dy3 s VAL 97 Ca 0.34 -0.27 0.05 0.00 0.00 0.00 0.00 61.98 62.10 3dy3 s VAL 97 Cb -0.07 -0.52 -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 0.00 175.10 175.23 3dy3 s ASN 98 N 0.14 3.49 0.10 3.32 0.01 -0.05 -2.00 114.94 119.95 3dy3 s ASN 98 Ca -0.02 -0.38 0.02 0.00 -0.71 0.00 0.00 52.86 51.77 3dy3 s ASN 98 Cb -0.06 -0.86 -0.04 0.00 0.41 0.00 0.00 41.25 40.69 3dy3 s ASN 98 CO -0.00 0.28 -0.06 0.68 -1.51 0.00 0.00 177.10 176.49 3dy3 s VAL 99 N -0.34 0.67 -0.07 1.60 -7.23 0.31 -1.63 120.40 113.71 3dy3 s VAL 99 Ca 0.02 -1.93 0.04 0.00 -1.81 0.00 0.00 61.98 58.30 3dy3 s VAL 99 Cb -0.12 -1.69 0.00 0.00 0.56 0.00 0.00 36.38 35.13 3dy3 s VAL 99 CO 0.02 -0.87 -0.19 -0.76 -0.31 0.00 0.00 175.10 172.99 3dy3 s LEU 100 N -3.04 1.93 -0.20 1.32 1.43 -0.75 -1.34 118.68 118.02 3dy3 s LEU 100 Ca 0.12 -0.43 -0.01 0.00 -1.03 0.00 0.00 54.13 52.78 3dy3 s LEU 100 Cb 0.05 -1.14 0.01 0.00 0.03 0.00 0.00 46.19 45.15 3dy3 s LEU 100 CO -0.05 0.14 -0.13 -0.63 0.23 0.00 0.00 176.35 175.91 3dy3 s ILE 101 N 0.27 2.57 -0.19 -0.59 1.01 0.17 -0.88 121.20 123.57 3dy3 s ILE 101 Ca -0.12 -0.83 -0.02 0.00 0.00 0.00 0.00 60.65 59.69 3dy3 s ILE 101 Cb -0.15 -2.15 -0.01 0.00 0.01 0.00 0.00 42.46 40.16 3dy3 s ILE 101 CO 0.05 0.45 -0.09 -0.83 0.00 0.00 0.00 174.94 174.52 3dy3 s GLY 102 N 1.35 1.56 0.10 6.18 0.00 0.54 0.04 107.32 117.10 3dy3 s GLY 102 Ca 0.04 -1.08 -0.09 0.00 0.00 0.00 0.00 44.72 43.59 3dy3 s GLY 102 CO -0.09 0.21 0.21 -0.32 0.00 0.00 0.00 173.10 173.12 3dy3 s GLY 103 N 1.09 0.13 -0.23 0.20 0.00 -0.35 -0.42 107.32 107.74 3dy3 s GLY 103 Ca 0.01 -0.64 -0.00 0.00 0.00 0.00 0.00 44.72 44.09 3dy3 s GLY 103 CO -0.02 -0.79 -0.11 -0.47 0.00 0.00 0.00 173.10 171.71 3dy3 s TYR 104 N -3.87 3.02 0.00 1.90 6.14 -0.46 0.14 117.35 124.21 3dy3 s TYR 104 Ca 0.07 -1.70 0.00 0.00 0.64 0.00 0.00 57.07 56.08 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 -0.10 -0.77 0.00 -3.47 0.64 0.00 0.00 175.55 171.85 3dy3 n ASP 105 N 4.62 0.00 0.00 4.32 4.64 -0.44 -4.84 116.55 124.84 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 -3.02 118.16 114.90 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 -2.22 0.07 0.00 -0.02 0.00 0.00 35.03 32.86 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 -3.60 -3.93 4.39 3.02 -1.26 -5.02 115.26 108.86 3dy3 n ASN 106 Ca 0.00 -0.51 -0.10 0.00 -0.03 0.00 0.00 54.58 53.94 3dy3 n ASN 106 Cb 0.00 -4.48 -0.11 0.00 -0.61 0.00 0.00 39.78 34.57 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 -5.58 0.27 0.28 3.52 1.02 -1.17 -5.07 119.74 113.01 3dy3 s LYS 107 Ca 0.21 -0.39 -0.15 0.00 0.02 0.00 0.00 55.97 55.67 3dy3 s LYS 107 Cb -0.09 0.10 -0.08 0.00 -0.52 0.00 0.00 37.83 37.24 3dy3 s LYS 107 CO 0.63 -0.05 0.68 -1.25 -0.92 0.00 0.00 175.35 174.45 3dy3 s PRO 108 N -1.04 4.00 -0.00 -1.68 0.04 -1.26 -1.33 135.00 133.72 3dy3 s PRO 108 Ca -0.11 0.61 0.00 0.00 0.04 0.00 0.00 61.00 61.54 3dy3 s PRO 108 Cb -0.07 -2.58 0.00 0.00 0.04 0.00 0.00 34.50 31.89 3dy3 s PRO 108 CO -0.00 0.25 -0.00 -1.21 0.04 0.00 0.00 177.00 176.07 3dy3 s GLU 109 N -2.72 0.04 -0.13 4.56 2.02 0.12 -4.95 118.70 117.65 3dy3 s GLU 109 Ca 0.50 -0.00 0.03 0.00 0.02 0.00 0.00 54.97 55.52 3dy3 s GLU 109 Cb -0.12 -0.06 0.01 0.00 0.10 0.00 0.00 34.13 34.06 3dy3 s GLU 109 CO 0.19 -0.00 -0.22 -1.17 0.02 0.00 0.00 175.26 174.07 3dy3 s LEU 110 N 0.08 2.10 -0.08 1.80 2.96 -1.26 -1.22 118.68 123.06 3dy3 s LEU 110 Ca -0.01 -0.59 0.05 0.00 -0.22 0.00 0.00 54.13 53.36 3dy3 s LEU 110 Cb -0.01 -1.43 -0.00 0.00 0.50 0.00 0.00 46.19 45.24 3dy3 s LEU 110 CO -0.00 0.10 -0.23 -0.31 -1.32 0.00 0.00 176.35 174.58 3dy3 s TYR 111 N 0.69 2.41 -0.16 5.38 2.02 0.11 -1.97 117.35 125.83 3dy3 s TYR 111 Ca -0.10 -0.88 -0.02 0.00 -0.37 0.00 0.00 57.07 55.70 3dy3 s TYR 111 Cb -0.16 -1.61 -0.01 0.00 -0.40 0.00 0.00 41.96 39.78 3dy3 s TYR 111 CO 0.01 -0.33 -0.10 -1.14 -1.57 0.00 0.00 175.55 172.42 3dy3 s GLN 112 N 0.18 3.42 -0.03 -0.62 0.74 -0.29 0.43 119.66 123.48 3dy3 s GLN 112 Ca -0.13 -0.65 -0.00 0.00 0.05 0.00 0.00 55.36 54.63 3dy3 s GLN 112 Cb -0.16 -2.77 0.03 0.00 1.10 0.00 0.00 33.01 31.21 3dy3 s GLN 112 CO 0.07 0.10 0.02 0.42 -0.55 0.00 0.00 175.29 175.34 3dy3 s ILE 113 N 0.67 0.10 0.60 -2.34 1.01 -0.45 -1.33 121.20 119.45 3dy3 s ILE 113 Ca -0.05 0.18 0.04 0.00 0.00 0.00 0.00 60.65 60.81 3dy3 s ILE 113 Cb -0.15 -0.24 0.08 0.00 0.01 0.00 0.00 42.46 42.15 3dy3 s ILE 113 CO 0.02 0.15 0.83 1.51 0.00 0.00 0.00 174.94 177.45 3dy3 s ASP 114 N 1.35 4.95 0.37 3.58 3.84 -0.93 -0.53 116.67 129.31 3dy3 s ASP 114 Ca -0.05 -0.42 0.21 0.00 -0.00 0.00 0.00 52.55 52.29 3dy3 s ASP 114 Cb -0.13 -0.22 1.17 0.00 -1.38 0.00 0.00 42.92 42.35 3dy3 s ASP 114 CO -0.03 -1.40 1.62 0.10 -0.00 0.00 0.00 175.17 175.47 3dy3 h TYR 115 N -0.03 0.00 -0.00 2.11 -0.00 -1.73 0.27 116.97 117.59 3dy3 h TYR 115 Ca -0.36 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.37 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 0.19 0.00 -0.37 1.28 -0.00 0.00 0.00 178.16 179.26 3dy3 n LEU 116 N -2.30 0.45 0.00 0.10 4.77 -1.26 -4.60 117.00 114.16 3dy3 n LEU 116 Ca -0.01 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 3dy3 n LEU 116 Cb 0.15 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 3dy3 n LEU 116 CO 0.10 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 176.87 3dy3 n GLY 117 N 1.48 1.04 3.53 -0.72 0.00 0.09 -4.26 105.19 106.34 3dy3 n GLY 117 Ca 0.07 -0.50 -0.43 0.00 0.00 0.00 0.00 46.02 45.16 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 4.59 -0.08 2.61 2.01 -1.24 -4.82 115.64 116.70 3dy3 s THR 118 Ca 0.00 0.34 0.00 0.00 0.31 0.00 0.00 61.69 62.34 3dy3 s THR 118 Cb 0.00 -4.38 -0.03 0.00 0.01 0.00 0.00 72.50 68.10 3dy3 s THR 118 CO 0.00 -0.84 -0.06 -0.75 -0.69 0.00 0.00 174.62 172.29 3dy3 s LYS 119 N 3.44 2.89 -0.09 4.92 2.20 -1.26 -2.18 119.74 129.66 3dy3 s LYS 119 Ca 0.29 -0.53 -0.13 0.00 -0.36 0.00 0.00 55.97 55.24 3dy3 s LYS 119 Cb -0.13 -2.65 0.03 0.00 -1.51 0.00 0.00 37.83 33.58 3dy3 s LYS 119 CO 0.21 0.61 0.35 0.54 -0.36 0.00 0.00 175.35 176.70 3dy3 s VAL 120 N -0.66 0.02 -0.12 4.02 0.11 -0.44 -5.01 120.40 118.32 3dy3 s VAL 120 Ca 0.10 -0.16 -0.11 0.00 -2.93 0.00 0.00 61.98 58.88 3dy3 s VAL 120 Cb -0.11 -0.55 -0.05 0.00 -1.53 0.00 0.00 36.38 34.14 3dy3 s VAL 120 CO 0.02 -0.09 0.23 -0.70 -3.33 0.00 0.00 175.10 171.23 3dy3 s GLU 121 N -0.34 3.86 0.11 1.54 2.12 -1.26 -1.14 118.70 123.58 3dy3 s GLU 121 Ca -0.05 0.03 -0.06 0.00 0.36 0.00 0.00 54.97 55.25 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 0.55 0.16 -0.51 -0.54 0.00 0.00 175.26 174.94 3dy3 s LEU 122 N -0.45 1.53 0.14 2.70 1.43 -0.83 -5.00 118.68 118.20 3dy3 s LEU 122 Ca 0.16 -0.85 -0.09 0.00 -1.03 0.00 0.00 54.13 52.32 3dy3 s LEU 122 Cb -0.13 0.83 -0.03 0.00 0.03 0.00 0.00 46.19 46.89 3dy3 s LEU 122 CO 0.05 -0.75 1.43 -0.65 0.23 0.00 0.00 176.35 176.66 3dy3 h PRO 123 N 2.78 0.79 -2.21 1.29 0.11 -1.90 -3.38 132.00 129.49 3dy3 h PRO 123 Ca -0.34 -0.50 -0.07 0.00 0.11 0.00 0.00 66.00 65.20 3dy3 h PRO 123 Cb 1.20 0.06 -0.19 0.00 0.11 0.00 0.00 31.00 32.18 3dy3 h PRO 123 CO 0.56 1.13 0.11 1.52 -0.21 0.00 0.00 178.00 181.11 3dy3 s TYR 124 N -4.07 -0.57 0.34 0.65 1.13 -1.26 0.15 117.35 113.71 3dy3 s TYR 124 Ca -0.10 0.96 -0.18 0.00 -1.41 0.00 0.00 57.07 56.35 3dy3 s TYR 124 Cb 0.10 0.36 0.04 0.00 -1.10 0.00 0.00 41.96 41.36 3dy3 s TYR 124 CO 0.88 -0.58 0.74 0.20 -2.51 0.00 0.00 175.55 174.29 3dy3 s GLY 125 N -1.25 0.21 0.08 5.49 0.00 -0.01 -4.98 107.32 106.85 3dy3 s GLY 125 Ca -0.11 -0.59 -0.26 0.00 0.00 0.00 0.00 44.72 43.76 3dy3 s GLY 125 CO 0.08 -0.24 0.70 0.00 0.00 0.00 0.00 173.10 173.64 3dy3 s ALA 126 N -3.05 -1.69 0.22 3.20 0.00 -1.26 -1.24 121.76 117.94 3dy3 s ALA 126 Ca 0.14 0.77 0.08 0.00 0.00 0.00 0.00 51.96 52.96 3dy3 s ALA 126 Cb -0.05 0.59 -0.04 0.00 0.00 0.00 0.00 23.12 23.62 3dy3 s ALA 126 CO 0.10 -0.68 -0.00 -1.01 0.00 0.00 0.00 175.76 174.17 3dy3 s HIS 127 N -3.15 2.77 0.00 0.00 3.76 -1.08 -4.74 115.29 112.85 3dy3 s HIS 127 Ca 0.00 -0.18 0.00 0.00 -0.15 0.00 0.00 55.06 54.73 3dy3 s HIS 127 Cb -0.01 -1.29 0.00 0.00 1.11 0.00 0.00 32.58 32.39 3dy3 s HIS 127 CO -0.08 0.56 0.00 0.41 -0.85 0.00 0.00 174.74 174.78 3dy3 n GLY 128 N -0.49 0.59 0.07 -2.22 0.00 -1.26 -3.64 105.19 98.24 3dy3 n GLY 128 Ca -0.08 -0.88 0.12 0.00 0.00 0.00 0.00 46.02 45.17 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 12.17 0.58 -0.32 1.61 4.01 -1.26 -4.42 117.16 129.53 3dy3 n TYR 129 Ca 0.00 0.17 0.22 0.00 -0.16 0.00 0.00 57.90 58.13 3dy3 n TYR 129 Cb 0.00 -0.69 0.43 0.00 -0.31 0.00 0.00 39.34 38.77 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 0.16 -0.29 7.72 0.02 -1.89 0.32 113.55 119.60 3dy3 h SER 130 Ca 0.00 0.23 -0.02 0.00 -0.84 0.00 0.00 61.79 61.16 3dy3 h SER 130 Cb 0.85 0.27 -0.02 0.00 0.14 0.00 0.00 62.40 63.64 3dy3 h SER 130 CO 0.00 -0.27 0.13 1.23 -1.14 0.00 0.00 176.83 176.78 3dy3 h GLY 131 N 0.15 0.51 1.17 -3.77 0.00 -1.81 -2.59 103.07 96.73 3dy3 h GLY 131 Ca 0.70 -0.23 0.12 0.00 0.00 0.00 0.00 47.33 47.92 3dy3 h GLY 131 CO -0.72 0.22 0.30 0.74 0.00 0.00 0.00 176.54 177.08 3dy3 h PHE 132 N 0.47 0.00 0.00 5.60 0.04 -0.65 0.18 116.94 122.59 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 0.11 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.21 3dy3 h PHE 132 CO 0.00 0.00 -2.13 0.66 -0.60 0.00 0.00 178.31 176.25 3dy3 n TYR 133 N -4.33 0.00 -0.06 -0.55 4.01 -1.06 -4.70 117.16 110.46 3dy3 n TYR 133 Ca 0.07 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.68 3dy3 n TYR 133 Cb 0.49 -0.77 -0.14 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 -2.54 1.56 -0.34 -0.72 -2.24 -1.00 -4.54 114.28 104.45 3dy3 n THR 134 Ca -0.23 -0.75 0.10 0.00 -2.27 0.00 0.00 64.05 60.90 3dy3 n THR 134 Cb 0.95 -1.08 0.28 0.00 -2.10 0.00 0.00 70.33 68.38 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 1.02 -0.55 4.78 0.04 -0.89 -0.64 116.94 120.72 3dy3 h PHE 135 Ca -0.44 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.36 3dy3 h PHE 135 Cb 2.07 -0.31 -0.03 0.00 2.20 0.00 0.00 35.95 39.88 3dy3 h PHE 135 CO 0.02 0.28 0.36 0.66 -0.60 0.00 0.00 178.31 179.02 3dy3 h SER 136 N 0.79 0.64 0.04 2.17 4.64 -1.80 0.34 113.55 120.38 3dy3 h SER 136 Ca 0.53 -0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.83 3dy3 h SER 136 Cb 0.75 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 3dy3 h SER 136 CO -0.35 0.47 -0.02 -0.07 -0.87 0.00 0.00 176.83 176.00 3dy3 h LEU 137 N 0.75 -0.04 -0.19 5.97 3.38 -1.39 -3.01 115.31 120.78 3dy3 h LEU 137 Ca 0.20 -0.42 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 3dy3 h LEU 137 Cb -0.07 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3dy3 h LEU 137 CO -0.04 0.41 0.09 -0.07 0.09 0.00 0.00 178.44 178.92 3dy3 h LEU 138 N -0.51 0.25 -1.84 1.67 3.38 -1.05 -0.51 115.31 116.70 3dy3 h LEU 138 Ca -0.01 -0.12 0.23 0.00 0.09 0.00 0.00 57.88 58.07 3dy3 h LEU 138 Cb 0.46 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 3dy3 h LEU 138 CO 0.01 0.30 0.59 0.44 0.09 0.00 0.00 178.44 179.87 3dy3 h ASP 139 N 0.18 0.13 0.00 -0.43 3.32 -0.40 0.13 116.42 119.36 3dy3 h ASP 139 Ca 0.07 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.13 3dy3 h ASP 139 Cb 0.12 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.66 3dy3 h ASP 139 CO -0.01 0.05 -0.02 -0.74 -1.72 0.00 0.00 179.24 176.80 3dy3 h HIS 140 N 0.13 0.00 0.00 4.55 2.76 -1.25 -3.41 115.15 117.93 3dy3 h HIS 140 Ca 0.42 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.59 3dy3 h HIS 140 Cb 1.44 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.40 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 -0.80 0.00 -3.38 5.26 3.86 -0.96 -3.48 115.15 115.65 3dy3 h HIS 141 Ca 0.00 0.00 -0.55 0.00 -1.16 0.00 0.00 60.37 58.66 3dy3 h HIS 141 Cb 0.02 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 0.78 0.98 0.86 0.00 0.00 177.93 180.55 3dy3 n TYR 142 N -2.82 2.75 -3.79 2.45 9.36 0.45 -5.01 117.16 120.55 3dy3 n TYR 142 Ca 0.02 0.35 -0.14 0.00 3.32 0.00 0.00 57.90 61.45 3dy3 n TYR 142 Cb 0.54 -2.55 -0.15 0.00 -0.63 0.00 0.00 39.34 36.55 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 -1.05 0.00 0.40 2.98 1.81 -1.26 -4.99 118.95 116.85 3dy3 s ARG 143 Ca 0.61 0.19 0.15 0.00 -1.72 0.00 0.00 55.73 54.96 3dy3 s ARG 143 Cb -0.52 -0.18 1.00 0.00 -0.45 0.00 0.00 34.95 34.81 3dy3 s ARG 143 CO 0.54 -0.13 1.87 -1.35 -0.68 0.00 0.00 175.30 175.54 3dy3 h PRO 144 N 7.02 0.48 -0.39 3.54 0.11 -1.95 -1.46 132.00 139.35 3dy3 h PRO 144 Ca -0.41 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3dy3 h PRO 144 Cb 1.14 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3dy3 h PRO 144 CO 0.47 0.31 0.00 -0.40 -0.21 0.00 0.00 178.00 178.18 3dy3 n ASP 145 N -4.53 1.89 -4.60 -2.05 3.85 -1.26 -3.07 116.55 106.79 3dy3 n ASP 145 Ca 0.18 -2.05 -0.34 0.00 -0.71 0.00 0.00 54.79 51.87 3dy3 n ASP 145 Cb 0.61 -0.26 0.11 0.00 -1.35 0.00 0.00 41.12 40.23 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 0.41 0.15 -3.75 0.11 2.81 -0.55 -4.65 117.12 111.64 3dy3 n MET 146 Ca 0.11 0.11 -0.23 0.00 -1.81 0.00 0.00 57.70 55.88 3dy3 n MET 146 Cb 0.32 -2.20 -0.02 0.00 -0.71 0.00 0.00 33.22 30.61 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 -2.11 5.21 0.50 2.03 -4.23 -1.26 -1.30 115.64 114.49 3dy3 s THR 147 Ca 0.69 -0.71 0.23 0.00 -1.18 0.00 0.00 61.69 60.72 3dy3 s THR 147 Cb -0.29 -3.83 0.39 0.00 1.34 0.00 0.00 72.50 70.11 3dy3 s THR 147 CO 0.55 -0.35 1.97 0.74 -0.54 0.00 0.00 174.62 176.99 3dy3 h THR 148 N 1.15 0.74 -0.11 3.99 2.02 -1.96 0.20 112.91 118.95 3dy3 h THR 148 Ca -0.50 -0.04 -0.18 0.00 0.77 0.00 0.00 66.41 66.45 3dy3 h THR 148 Cb 1.22 0.61 0.01 0.00 -1.74 0.00 0.00 68.15 68.24 3dy3 h THR 148 CO 0.63 0.02 -0.64 -0.08 0.37 0.00 0.00 175.52 175.82 3dy3 h GLU 149 N 0.12 0.63 -0.68 6.66 4.57 -1.99 -1.64 114.58 122.25 3dy3 h GLU 149 Ca 0.30 -0.53 -0.04 0.00 -1.18 0.00 0.00 59.36 57.91 3dy3 h GLU 149 Cb 1.01 0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 29.68 3dy3 h GLU 149 CO -0.04 1.15 0.28 0.93 -1.18 0.00 0.00 179.01 180.16 3dy3 h GLU 150 N 0.28 1.01 0.64 1.92 5.08 -1.40 -1.63 114.58 120.48 3dy3 h GLU 150 Ca -0.05 -0.18 -0.03 0.00 -1.00 0.00 0.00 59.36 58.11 3dy3 h GLU 150 Cb 1.29 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 3dy3 h GLU 150 CO 0.13 0.83 -0.45 0.78 -1.00 0.00 0.00 179.01 179.30 3dy3 h GLY 151 N 0.96 -1.24 -0.15 -3.84 0.00 -0.66 0.46 103.07 98.60 3dy3 h GLY 151 Ca 0.23 0.53 0.29 0.00 0.00 0.00 0.00 47.33 48.37 3dy3 h GLY 151 CO -0.02 -0.40 0.80 1.41 0.00 0.00 0.00 176.54 178.32 3dy3 h LEU 152 N -1.04 0.00 0.03 3.11 3.38 -1.11 0.27 115.31 119.94 3dy3 h LEU 152 Ca -0.08 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.75 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 0.05 0.00 -0.54 0.44 0.09 0.00 0.00 178.44 178.48 3dy3 h ASP 153 N 0.00 0.42 0.05 -0.43 3.45 -0.30 -1.57 116.42 118.04 3dy3 h ASP 153 Ca 0.47 -0.82 -0.04 0.00 0.43 0.00 0.00 57.03 57.07 3dy3 h ASP 153 Cb 2.06 -0.13 -0.01 0.00 -0.56 0.00 0.00 39.33 40.69 3dy3 h ASP 153 CO -0.00 1.19 -0.13 0.25 -1.57 0.00 0.00 179.24 178.98 3dy3 h LEU 154 N -0.30 0.16 -0.09 1.55 5.85 0.14 -1.36 115.31 121.26 3dy3 h LEU 154 Ca -0.08 -0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.58 3dy3 h LEU 154 Cb 1.30 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 42.28 3dy3 h LEU 154 CO 0.10 0.31 -0.09 0.25 -0.34 0.00 0.00 178.44 178.68 3dy3 h LEU 155 N 0.17 0.23 -1.44 2.25 6.46 -0.62 -1.95 115.31 120.41 3dy3 h LEU 155 Ca 0.04 -0.48 0.11 0.00 -0.12 0.00 0.00 57.88 57.42 3dy3 h LEU 155 Cb 0.33 -0.07 -0.05 0.00 -0.73 0.00 0.00 40.66 40.14 3dy3 h LEU 155 CO 0.02 0.67 0.50 0.50 -0.62 0.00 0.00 178.44 179.50 3dy3 h LYS 156 N -0.19 0.59 -0.47 1.25 3.64 -0.87 0.12 116.57 120.64 3dy3 h LYS 156 Ca 0.01 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.33 3dy3 h LYS 156 Cb 0.60 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.26 3dy3 h LYS 156 CO 0.02 0.39 0.19 1.25 -2.27 0.00 0.00 179.45 179.03 3dy3 h LEU 157 N 0.61 0.64 -0.06 5.20 5.85 -0.94 -2.22 115.31 124.39 3dy3 h LEU 157 Ca 0.36 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.91 3dy3 h LEU 157 Cb 0.56 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.42 3dy3 h LEU 157 CO -0.13 0.63 0.02 0.00 -0.34 0.00 0.00 178.44 178.62 3dy3 h VAL 159 N -0.10 0.89 -0.34 0.00 2.07 -0.86 -1.46 116.25 116.46 3dy3 h VAL 159 Ca 0.02 -0.07 -0.15 0.00 0.82 0.00 0.00 66.70 67.32 3dy3 h VAL 159 Cb 0.21 0.66 -0.00 0.00 -1.52 0.00 0.00 31.29 30.64 3dy3 h VAL 159 CO -0.00 0.04 -0.38 1.56 0.02 0.00 0.00 177.57 178.81 3dy3 h GLN 160 N 0.21 0.85 -0.55 1.57 4.20 -1.17 -1.08 115.11 119.14 3dy3 h GLN 160 Ca 0.20 -0.47 -0.05 0.00 0.06 0.00 0.00 58.65 58.39 3dy3 h GLN 160 Cb 0.51 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.28 3dy3 h GLN 160 CO -0.03 1.11 0.13 1.49 -0.67 0.00 0.00 178.83 180.85 3dy3 h GLU 161 N 0.64 0.84 -0.21 1.46 4.57 -1.03 -0.61 114.58 120.24 3dy3 h GLU 161 Ca 0.05 -0.17 -0.11 0.00 -1.18 0.00 0.00 59.36 57.94 3dy3 h GLU 161 Cb 0.97 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 29.42 3dy3 h GLU 161 CO 0.09 0.76 -0.36 -0.07 -1.18 0.00 0.00 179.01 178.25 3dy3 h LEU 162 N 0.81 0.46 -0.62 1.64 3.38 -1.10 -1.24 115.31 118.64 3dy3 h LEU 162 Ca 0.18 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 3dy3 h LEU 162 Cb 0.30 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 3dy3 h LEU 162 CO -0.00 0.79 -0.10 -0.33 0.09 0.00 0.00 178.44 178.88 3dy3 h GLU 163 N 0.38 0.00 0.00 1.13 5.08 -0.42 -2.22 114.58 118.53 3dy3 h GLU 163 Ca 0.04 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.32 3dy3 h GLU 163 Cb 0.81 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 3dy3 h GLU 163 CO 0.07 0.10 -0.50 -0.22 -1.00 0.00 0.00 179.01 177.46 3dy3 h LYS 164 N 0.00 0.00 0.00 2.33 3.64 -0.73 -3.42 116.57 118.40 3dy3 h LYS 164 Ca -0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 3dy3 h LYS 164 Cb 0.86 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.68 3dy3 h LYS 164 CO 0.01 0.71 -1.37 0.54 -2.27 0.00 0.00 179.45 177.08 3dy3 n ARG 165 N -4.58 0.63 -2.83 1.90 5.12 -0.51 -4.92 116.66 111.47 3dy3 n ARG 165 Ca -0.16 0.02 -0.41 0.00 -1.93 0.00 0.00 57.85 55.37 3dy3 n ARG 165 Cb 0.44 -1.72 -0.04 0.00 -1.16 0.00 0.00 32.46 29.99 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 -3.40 4.46 0.54 5.56 1.75 -0.83 -4.96 119.30 122.42 3dy3 s MET 166 Ca -0.03 1.19 0.26 0.00 -1.25 0.00 0.00 55.69 55.86 3dy3 s MET 166 Cb 0.11 -3.49 1.42 0.00 2.84 0.00 0.00 34.83 35.71 3dy3 s MET 166 CO 0.83 -0.11 1.99 -1.35 -0.65 0.00 0.00 175.02 175.74 3dy3 h PRO 167 N 6.92 0.00 -6.00 4.11 0.11 -1.91 -3.44 132.00 131.79 3dy3 h PRO 167 Ca -0.37 0.00 -0.58 0.00 0.11 0.00 0.00 66.00 65.16 3dy3 h PRO 167 Cb 1.19 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 3dy3 h PRO 167 CO 0.78 0.00 -0.46 -1.64 -0.21 0.00 0.00 178.00 176.47 3dy3 s MET 168 N -4.97 3.46 -0.76 1.05 -1.94 -1.26 -5.05 119.30 109.83 3dy3 s MET 168 Ca -0.05 -0.48 -0.19 0.00 -1.71 0.00 0.00 55.69 53.26 3dy3 s MET 168 Cb 0.19 -2.98 0.12 0.00 2.01 0.00 0.00 34.83 34.17 3dy3 s MET 168 CO 0.71 0.55 0.92 0.34 -0.01 0.00 0.00 175.02 177.53 3dy3 s ASP 169 N -2.85 6.41 -0.00 3.03 -1.08 -1.26 -4.89 116.67 116.02 3dy3 s ASP 169 Ca 0.35 -1.70 0.03 0.00 -0.52 0.00 0.00 52.55 50.71 3dy3 s ASP 169 Cb -0.12 -2.35 0.08 0.00 -1.46 0.00 0.00 42.92 39.07 3dy3 s ASP 169 CO 0.28 -1.11 1.05 2.22 0.52 0.00 0.00 175.17 178.13 3dy3 n PHE 170 N 6.44 0.12 -3.59 -5.34 1.16 -1.26 -4.89 117.46 110.11 3dy3 n PHE 170 Ca 0.06 -0.06 -0.27 0.00 -1.87 0.00 0.00 57.45 55.32 3dy3 n PHE 170 Cb 0.46 -0.01 0.02 0.00 -1.61 0.00 0.00 39.48 38.34 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 -0.23 -4.71 -0.47 3.97 4.76 -1.26 -1.90 118.16 118.32 3dy3 n LYS 171 Ca 0.03 0.61 0.06 0.00 -2.87 0.00 0.00 58.31 56.14 3dy3 n LYS 171 Cb 0.08 -5.44 -0.02 0.00 -1.84 0.00 0.00 35.03 27.82 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 -1.49 -1.53 3.41 0.72 0.00 -1.26 -4.32 105.19 100.71 3dy3 n GLY 172 Ca -0.00 -1.41 -0.21 0.00 0.00 0.00 0.00 46.02 44.40 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 -1.49 2.10 -0.18 1.61 -7.23 -1.26 -0.78 120.40 113.18 3dy3 s VAL 173 Ca 0.00 -2.31 -0.04 0.00 -1.81 0.00 0.00 61.98 57.82 3dy3 s VAL 173 Cb 0.00 -2.18 -0.02 0.00 0.56 0.00 0.00 36.38 34.74 3dy3 s VAL 173 CO 0.00 -0.50 -0.02 -0.63 -0.31 0.00 0.00 175.10 173.64 3dy3 s ILE 174 N -2.74 3.87 -0.04 -0.62 1.01 -0.21 -4.87 121.20 117.59 3dy3 s ILE 174 Ca 0.26 -0.35 -0.01 0.00 0.00 0.00 0.00 60.65 60.55 3dy3 s ILE 174 Cb -0.03 -2.72 -0.04 0.00 0.01 0.00 0.00 42.46 39.69 3dy3 s ILE 174 CO 0.11 0.46 0.03 -0.69 0.00 0.00 0.00 174.94 174.85 3dy3 s VAL 175 N 0.68 4.41 0.02 2.92 1.01 -1.26 -1.83 120.40 126.34 3dy3 s VAL 175 Ca -0.01 -0.37 0.00 0.00 0.00 0.00 0.00 61.98 61.60 3dy3 s VAL 175 Cb -0.14 -2.93 -0.01 0.00 0.00 0.00 0.00 36.38 33.29 3dy3 s VAL 175 CO 0.02 0.48 -0.03 -0.54 0.00 0.00 0.00 175.10 175.03 3dy3 s LYS 176 N -1.28 0.26 -0.03 2.72 1.02 -0.18 -1.91 119.74 120.34 3dy3 s LYS 176 Ca 0.17 -0.46 0.07 0.00 0.02 0.00 0.00 55.97 55.77 3dy3 s LYS 176 Cb -0.12 0.02 -0.02 0.00 -0.52 0.00 0.00 37.83 37.20 3dy3 s LYS 176 CO 0.07 -0.02 -0.24 0.42 -0.92 0.00 0.00 175.35 174.66 3dy3 s ILE 177 N -1.04 1.93 -0.16 2.17 1.01 0.76 -1.40 121.20 124.48 3dy3 s ILE 177 Ca -0.11 -1.03 0.01 0.00 0.00 0.00 0.00 60.65 59.53 3dy3 s ILE 177 Cb -0.07 -1.62 0.02 0.00 0.01 0.00 0.00 42.46 40.80 3dy3 s ILE 177 CO -0.01 0.54 -0.19 -0.69 0.00 0.00 0.00 174.94 174.60 3dy3 s VAL 178 N -0.40 1.91 0.04 2.92 1.01 -0.58 -1.11 120.40 124.19 3dy3 s VAL 178 Ca 0.04 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.16 3dy3 s VAL 178 Cb -0.11 -1.73 -0.00 0.00 0.00 0.00 0.00 36.38 34.54 3dy3 s VAL 178 CO 0.01 0.52 0.04 -0.90 0.00 0.00 0.00 175.10 174.77 3dy3 n ASP 179 N 4.45 -0.12 -0.06 3.32 5.68 -0.29 -1.42 116.55 128.12 3dy3 n ASP 179 Ca -0.20 -1.21 0.23 0.00 -0.50 0.00 0.00 54.79 53.12 3dy3 n ASP 179 Cb 0.51 0.23 0.70 0.00 -1.14 0.00 0.00 41.12 41.42 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 -0.02 0.11 2.10 -1.93 -0.17 116.57 116.66 3dy3 h LYS 180 Ca -0.03 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.62 3dy3 h LYS 180 Cb 0.12 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.45 3dy3 h LYS 180 CO 0.04 0.00 -0.01 -0.25 -2.00 0.00 0.00 179.45 177.23 3dy3 n ASP 181 N -4.32 1.69 0.00 7.07 8.00 -1.26 -5.05 116.55 122.67 3dy3 n ASP 181 Ca 0.13 -1.55 0.00 0.00 0.71 0.00 0.00 54.79 54.08 3dy3 n ASP 181 Cb 0.74 0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.84 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 1.20 0.29 3.40 0.44 0.00 -0.08 -5.03 105.19 105.42 3dy3 n GLY 183 Ca 0.18 -2.04 -0.33 0.00 0.00 0.00 0.00 46.02 43.84 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 -0.24 3.01 0.00 -0.61 1.01 -1.24 -1.13 121.20 122.00 3dy3 s ILE 184 Ca 0.00 -0.70 -0.06 0.00 0.00 0.00 0.00 60.65 59.90 3dy3 s ILE 184 Cb 0.00 -2.23 -0.00 0.00 0.01 0.00 0.00 42.46 40.23 3dy3 s ILE 184 CO 0.00 0.55 0.10 0.00 0.00 0.00 0.00 174.94 175.59 3dy3 s ARG 185 N 0.01 0.43 -0.19 2.79 1.70 -0.27 -4.98 118.95 118.44 3dy3 s ARG 185 Ca -0.04 -0.41 -0.08 0.00 -0.47 0.00 0.00 55.73 54.73 3dy3 s ARG 185 Cb -0.14 0.17 -0.04 0.00 -0.57 0.00 0.00 34.95 34.37 3dy3 s ARG 185 CO 0.04 -0.10 0.07 -1.14 -1.08 0.00 0.00 175.30 173.09 3dy3 s GLN 186 N -1.32 3.98 -1.48 3.89 0.74 -1.26 -0.17 119.66 124.04 3dy3 s GLN 186 Ca -0.14 -0.34 -0.13 0.00 0.05 0.00 0.00 55.36 54.80 3dy3 s GLN 186 Cb -0.08 -3.23 0.03 0.00 1.10 0.00 0.00 33.01 30.83 3dy3 s GLN 186 CO 0.01 0.26 2.33 0.28 -0.55 0.00 0.00 175.29 177.62 3dy3 n VAL 187 N 3.58 3.68 0.00 1.34 0.31 -0.80 -4.80 118.33 121.64 3dy3 n VAL 187 Ca -0.16 -3.04 0.00 0.00 -0.01 0.00 0.00 64.34 61.12 3dy3 n VAL 187 Cb 0.52 -2.59 0.00 0.00 -0.91 0.00 0.00 33.84 30.86 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 5.47 0.00 -3.56 4.52 3.85 -1.26 -3.29 116.55 122.28 3dy3 n ASP 188 Ca 0.56 0.05 -0.27 0.00 -0.71 0.00 0.00 54.79 54.42 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 -0.84 2.18 0.00 -1.12 5.75 -1.26 -4.75 116.55 116.51 3dy3 n ASP 189 Ca 0.00 -3.05 0.00 0.00 -0.01 0.00 0.00 54.79 51.73 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 1.70 0.00 0.61 2.11 -0.00 -1.21 -4.23 117.46 116.44 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 0.24 0.00 -0.00 0.00 0.00 39.48 40.14 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 -0.68 0.31 0.00 -4.13 3.00 -1.26 -3.37 117.38 111.25 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 0.88 -1.58 0.00 -1.26 -5.20 120.51 112.44 3dy3 n ALA 192 Ca 0.06 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.60 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