#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a7a s VAL 3 N 0.00 -0.87 -0.22 3.44 1.01 -1.26 -4.90 120.40 117.60 3a7a s VAL 3 Ca 0.00 -0.33 -0.20 0.00 0.00 0.00 0.00 61.98 61.45 3a7a s VAL 3 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 36.38 36.30 3a7a s VAL 3 CO 0.00 0.00 0.94 -2.65 0.00 0.00 0.00 175.10 173.39 3a7a n PRO 4 N 3.76 0.00 0.26 2.72 -0.02 -1.26 -4.73 135.00 135.74 3a7a n PRO 4 Ca 0.13 0.00 0.18 0.00 -2.02 0.00 0.00 63.50 61.78 3a7a n PRO 4 Cb 0.58 -0.67 0.81 0.00 -0.02 0.00 0.00 33.50 34.20 3a7a n PRO 4 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3a7a h ALA 5 N 3.92 1.00 -0.01 3.55 0.00 -1.99 -2.76 119.26 122.98 3a7a h ALA 5 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3a7a h ALA 5 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3a7a h ALA 5 CO 0.48 0.00 -0.07 -0.85 0.00 0.00 0.00 179.25 178.81 3a7a n GLU 6 N -2.88 1.23 -4.16 0.00 0.00 -1.26 -4.45 120.64 109.13 3a7a n GLU 6 Ca -0.00 -0.60 -0.31 0.00 0.00 0.00 0.00 57.16 56.25 3a7a n GLU 6 Cb 0.20 -1.49 -0.08 0.00 0.00 0.00 0.00 31.44 30.07 3a7a n GLU 6 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 3a7a s LEU 7 N -2.18 3.53 0.52 -1.84 1.43 -1.04 -4.95 118.68 114.14 3a7a s LEU 7 Ca 0.35 -0.11 -0.07 0.00 -1.03 0.00 0.00 54.13 53.28 3a7a s LEU 7 Cb 0.21 -2.20 -0.04 0.00 0.03 0.00 0.00 46.19 44.19 3a7a s LEU 7 CO 0.40 0.20 0.85 -0.54 0.23 0.00 0.00 176.35 177.49 3a7a s LYS 8 N -2.12 3.56 0.18 1.70 -0.14 -1.19 -3.75 119.74 117.97 3a7a s LYS 8 Ca 0.25 0.35 -0.01 0.00 -1.36 0.00 0.00 55.97 55.20 3a7a s LYS 8 Cb -0.12 -2.30 -0.04 0.00 -1.68 0.00 0.00 37.83 33.70 3a7a s LYS 8 CO 0.17 -0.30 0.10 0.71 -0.76 0.00 0.00 175.35 175.27 3a7a s TYR 9 N -2.85 1.06 0.39 3.18 1.51 -0.09 -1.94 117.35 118.60 3a7a s TYR 9 Ca 0.49 -1.33 0.04 0.00 -1.01 0.00 0.00 57.07 55.26 3a7a s TYR 9 Cb -0.10 -0.53 -0.03 0.00 -0.11 0.00 0.00 41.96 41.18 3a7a s TYR 9 CO 0.47 -0.60 0.13 -1.54 -1.11 0.00 0.00 175.55 172.90 3a7a s SER 10 N -3.12 2.56 0.21 2.29 1.04 -1.04 -2.82 113.70 112.83 3a7a s SER 10 Ca 0.34 -1.63 -0.07 0.00 0.48 0.00 0.00 55.95 55.07 3a7a s SER 10 Cb 0.07 0.44 0.17 0.00 0.10 0.00 0.00 66.02 66.80 3a7a s SER 10 CO 0.08 -0.90 1.72 0.11 0.98 0.00 0.00 173.24 175.24 3a7a h LYS 11 N 1.88 1.05 -0.60 4.02 1.79 -2.00 -2.92 116.57 119.79 3a7a h LYS 11 Ca -0.35 -0.26 0.00 0.00 -2.18 0.00 0.00 60.65 57.85 3a7a h LYS 11 Cb 1.27 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 31.78 3a7a h LYS 11 CO 0.57 0.96 0.00 0.39 -1.08 0.00 0.00 179.45 180.28 3a7a n GLU 12 N -4.22 1.11 -3.21 3.15 4.71 -1.26 -4.85 120.64 116.08 3a7a n GLU 12 Ca 0.04 -0.11 -0.16 0.00 -0.01 0.00 0.00 57.16 56.93 3a7a n GLU 12 Cb 0.28 -1.33 0.06 0.00 -1.01 0.00 0.00 31.44 29.44 3a7a n GLU 12 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 3a7a n HIS 13 N -0.15 -1.90 -4.15 -0.32 8.25 -1.10 -4.91 115.22 110.93 3a7a n HIS 13 Ca 0.01 0.69 -0.25 0.00 -0.26 0.00 0.00 57.72 57.92 3a7a n HIS 13 Cb 0.18 -3.86 -0.06 0.00 1.12 0.00 0.00 29.99 27.37 3a7a n HIS 13 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3a7a s GLU 14 N -5.72 2.70 -0.08 -0.41 8.01 -1.26 -2.09 118.70 119.85 3a7a s GLU 14 Ca 0.33 -1.06 0.04 0.00 0.01 0.00 0.00 54.97 54.29 3a7a s GLU 14 Cb -0.14 -2.48 -0.00 0.00 -4.31 0.00 0.00 34.13 27.19 3a7a s GLU 14 CO 0.50 0.44 -0.22 1.67 0.01 0.00 0.00 175.26 177.66 3a7a s TRP 15 N -1.93 2.29 -0.10 1.61 1.48 -0.32 -2.50 118.94 119.46 3a7a s TRP 15 Ca 0.31 -0.83 -0.02 0.00 -1.06 0.00 0.00 56.10 54.49 3a7a s TRP 15 Cb -0.09 -1.53 -0.03 0.00 -1.16 0.00 0.00 33.47 30.66 3a7a s TRP 15 CO 0.22 -0.32 -0.00 -0.51 -4.06 0.00 0.00 176.95 172.28 3a7a s LEU 16 N 0.21 3.53 -0.19 -4.66 1.43 -0.82 -2.62 118.68 115.56 3a7a s LEU 16 Ca -0.12 0.09 0.01 0.00 -1.03 0.00 0.00 54.13 53.08 3a7a s LEU 16 Cb -0.16 -1.82 0.03 0.00 0.03 0.00 0.00 46.19 44.28 3a7a s LEU 16 CO 0.06 0.33 -0.15 -0.60 0.23 0.00 0.00 176.35 176.22 3a7a s ARG 17 N -0.61 2.52 -0.32 1.70 3.52 -0.65 -3.16 118.95 121.95 3a7a s ARG 17 Ca 0.10 -0.87 -0.28 0.00 -0.13 0.00 0.00 55.73 54.55 3a7a s ARG 17 Cb -0.12 -2.50 -0.02 0.00 -1.56 0.00 0.00 34.95 30.75 3a7a s ARG 17 CO 0.02 -0.32 1.84 0.21 -0.81 0.00 0.00 175.30 176.24 3a7a s LYS 18 N 1.32 3.30 -0.00 5.12 2.47 -1.26 -2.16 119.74 128.52 3a7a s LYS 18 Ca 0.01 1.47 -0.26 0.00 -1.56 0.00 0.00 55.97 55.64 3a7a s LYS 18 Cb -0.15 -4.22 -0.04 0.00 -1.46 0.00 0.00 37.83 31.96 3a7a s LYS 18 CO -0.10 -1.90 0.80 -1.21 0.16 0.00 0.00 175.35 173.09 3a7a s GLU 19 N 5.76 4.50 0.20 4.03 0.41 -0.91 -4.95 118.70 127.75 3a7a s GLU 19 Ca 0.82 1.10 -0.09 0.00 -0.41 0.00 0.00 54.97 56.39 3a7a s GLU 19 Cb -0.23 -3.42 0.29 0.00 -1.78 0.00 0.00 34.13 29.00 3a7a s GLU 19 CO 0.33 0.13 1.19 0.00 -0.49 0.00 0.00 175.26 176.42 3a7a n ALA 20 N 3.40 0.09 0.44 5.21 0.00 -1.26 0.18 120.51 128.56 3a7a n ALA 20 Ca 0.00 0.81 0.00 0.00 0.00 0.00 0.00 53.44 54.25 3a7a n ALA 20 Cb 0.51 -0.45 0.00 0.00 0.00 0.00 0.00 19.45 19.51 3a7a n ALA 20 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3a7a n ASP 21 N -5.20 1.41 0.00 0.00 3.85 -1.26 -4.69 116.55 110.66 3a7a n ASP 21 Ca 0.11 -0.94 0.00 0.00 -0.71 0.00 0.00 54.79 53.25 3a7a n ASP 21 Cb 0.36 -0.24 0.00 0.00 -1.35 0.00 0.00 41.12 39.89 3a7a n ASP 21 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3a7a n GLY 22 N 0.80 1.29 0.00 6.12 0.00 0.13 -4.96 105.19 108.57 3a7a n GLY 22 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3a7a n GLY 22 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3a7a n THR 23 N -2.00 0.00 -3.68 2.61 -2.24 -1.18 -4.84 114.28 102.95 3a7a n THR 23 Ca 0.00 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.64 3a7a n THR 23 Cb 0.00 -1.96 -0.14 0.00 -2.10 0.00 0.00 70.33 66.13 3a7a n THR 23 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 3a7a s TYR 24 N -0.90 -0.34 -0.04 4.78 1.51 -0.40 -2.14 117.35 119.82 3a7a s TYR 24 Ca 0.00 0.84 -0.07 0.00 -1.01 0.00 0.00 57.07 56.82 3a7a s TYR 24 Cb 0.00 -0.06 -0.05 0.00 -0.11 0.00 0.00 41.96 41.74 3a7a s TYR 24 CO 0.00 -0.30 0.23 0.99 -1.11 0.00 0.00 175.55 175.36 3a7a s THR 25 N 2.08 5.35 0.05 -0.71 2.01 -0.92 0.34 115.64 123.84 3a7a s THR 25 Ca -0.01 0.23 0.04 0.00 0.31 0.00 0.00 61.69 62.26 3a7a s THR 25 Cb -0.12 -3.53 -0.02 0.00 0.01 0.00 0.00 72.50 68.84 3a7a s THR 25 CO -0.08 0.47 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.51 3a7a s VAL 26 N -1.19 0.97 0.24 3.82 1.01 0.16 -1.63 120.40 123.78 3a7a s VAL 26 Ca 0.23 -1.09 -0.14 0.00 0.00 0.00 0.00 61.98 60.98 3a7a s VAL 26 Cb -0.13 -0.92 0.05 0.00 0.00 0.00 0.00 36.38 35.38 3a7a s VAL 26 CO 0.12 -0.15 0.69 0.61 0.00 0.00 0.00 175.10 176.37 3a7a n GLY 27 N 1.63 1.03 3.78 4.51 0.00 -1.08 -0.50 105.19 114.57 3a7a n GLY 27 Ca -0.20 -1.16 -0.35 0.00 0.00 0.00 0.00 46.02 44.31 3a7a n GLY 27 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3a7a s ILE 28 N -2.25 4.84 0.46 -0.61 -4.36 -1.26 -1.17 121.20 116.84 3a7a s ILE 28 Ca 0.14 -0.17 -0.24 0.00 -0.26 0.00 0.00 60.65 60.13 3a7a s ILE 28 Cb -0.03 -3.13 -0.07 0.00 1.25 0.00 0.00 42.46 40.48 3a7a s ILE 28 CO 0.07 0.51 1.24 0.42 0.24 0.00 0.00 174.94 177.42 3a7a s THR 29 N -1.05 2.78 0.10 8.37 -4.23 -0.89 -4.64 115.64 116.09 3a7a s THR 29 Ca 0.18 0.62 -0.20 0.00 -1.18 0.00 0.00 61.69 61.11 3a7a s THR 29 Cb -0.12 -3.33 -0.04 0.00 1.34 0.00 0.00 72.50 70.35 3a7a s THR 29 CO 0.07 0.02 1.16 1.21 -0.54 0.00 0.00 174.62 176.55 3a7a n GLU 30 N -0.39 -0.28 -0.30 3.99 4.07 -1.26 0.28 120.64 126.74 3a7a n GLU 30 Ca 0.07 1.14 0.14 0.00 -0.06 0.00 0.00 57.16 58.45 3a7a n GLU 30 Cb 0.46 -1.69 0.30 0.00 -0.06 0.00 0.00 31.44 30.46 3a7a n GLU 30 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 3a7a h HIS 31 N 0.00 0.31 -0.30 4.31 2.76 -1.91 -0.87 115.15 119.44 3a7a h HIS 31 Ca 0.10 0.05 -0.04 0.00 -2.20 0.00 0.00 60.37 58.29 3a7a h HIS 31 Cb 0.26 0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.22 3a7a h HIS 31 CO -0.83 -0.26 0.04 0.00 -1.30 0.00 0.00 177.93 175.58 3a7a h ALA 32 N 1.82 0.40 0.00 5.26 0.00 -0.49 -2.65 119.26 123.61 3a7a h ALA 32 Ca 0.57 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.28 3a7a h ALA 32 Cb 1.19 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3a7a h ALA 32 CO -0.70 0.11 0.00 -0.56 0.00 0.00 0.00 179.25 178.09 3a7a h GLN 33 N 0.33 0.00 0.14 0.00 -0.00 -0.39 -1.83 115.11 113.36 3a7a h GLN 33 Ca 0.09 0.00 -0.30 0.00 -0.00 0.00 0.00 58.65 58.44 3a7a h GLN 33 Cb 0.36 0.00 0.03 0.00 -0.00 0.00 0.00 27.48 27.87 3a7a h GLN 33 CO 0.01 0.00 -1.27 0.93 -0.00 0.00 0.00 178.83 178.50 3a7a h GLU 34 N 0.00 0.57 -0.20 0.06 5.08 -1.07 -3.13 114.58 115.89 3a7a h GLU 34 Ca 0.00 -0.79 -0.05 0.00 -1.00 0.00 0.00 59.36 57.51 3a7a h GLU 34 Cb 0.51 0.27 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 3a7a h GLU 34 CO 0.00 1.36 -0.09 1.25 -1.00 0.00 0.00 179.01 180.53 3a7a h LEU 35 N 0.24 0.42 0.00 1.33 6.46 -1.12 -3.35 115.31 119.29 3a7a h LEU 35 Ca -0.19 -0.40 0.00 0.00 -0.12 0.00 0.00 57.88 57.17 3a7a h LEU 35 Cb 1.95 -0.11 0.00 0.00 -0.73 0.00 0.00 40.66 41.76 3a7a h LEU 35 CO 0.24 0.73 0.00 0.18 -0.62 0.00 0.00 178.44 178.96 3a7a n LEU 36 N -4.58 0.00 0.00 2.25 4.77 -0.72 -5.04 117.00 113.67 3a7a n LEU 36 Ca -0.05 0.58 0.00 0.00 -0.03 0.00 0.00 56.01 56.51 3a7a n LEU 36 Cb 0.31 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 3a7a n LEU 36 CO 0.39 -0.08 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 3a7a n GLY 37 N -0.70 1.84 3.55 -0.72 0.00 -1.18 -4.47 105.19 103.51 3a7a n GLY 37 Ca 0.00 -1.93 -0.58 0.00 0.00 0.00 0.00 46.02 43.51 3a7a n GLY 37 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3a7a n ASP 38 N 0.00 1.79 -4.73 1.61 8.00 -1.26 -4.71 116.55 117.25 3a7a n ASP 38 Ca 0.00 0.84 -0.41 0.00 0.71 0.00 0.00 54.79 55.93 3a7a n ASP 38 Cb 0.00 -1.08 -0.04 0.00 -0.02 0.00 0.00 41.12 39.99 3a7a n ASP 38 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 3a7a s MET 39 N 4.67 4.52 -0.01 -1.24 1.75 -1.26 -1.95 119.30 125.78 3a7a s MET 39 Ca 1.07 1.79 0.01 0.00 -1.25 0.00 0.00 55.69 57.31 3a7a s MET 39 Cb -1.18 -3.28 -0.02 0.00 2.84 0.00 0.00 34.83 33.19 3a7a s MET 39 CO 0.64 -0.05 0.02 0.28 -0.65 0.00 0.00 175.02 175.26 3a7a n VAL 40 N 2.71 0.03 -3.64 10.11 0.31 -0.77 -3.96 118.33 123.12 3a7a n VAL 40 Ca 0.04 -0.04 -0.07 0.00 -0.01 0.00 0.00 64.34 64.26 3a7a n VAL 40 Cb 0.46 0.01 -0.07 0.00 -0.91 0.00 0.00 33.84 33.33 3a7a n VAL 40 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 3a7a s PHE 41 N -2.08 -0.80 -0.25 3.52 5.36 -0.92 -4.83 117.98 117.98 3a7a s PHE 41 Ca -0.01 1.70 -0.03 0.00 -0.96 0.00 0.00 56.93 57.63 3a7a s PHE 41 Cb 0.01 0.45 0.01 0.00 -0.34 0.00 0.00 43.02 43.15 3a7a s PHE 41 CO 0.06 -0.39 -0.04 0.08 -1.46 0.00 0.00 175.22 173.47 3a7a s VAL 42 N 1.11 3.13 -0.72 3.12 1.01 -1.26 -0.66 120.40 126.14 3a7a s VAL 42 Ca -0.06 -0.84 -0.26 0.00 0.00 0.00 0.00 61.98 60.82 3a7a s VAL 42 Cb -0.05 -2.55 0.04 0.00 0.00 0.00 0.00 36.38 33.82 3a7a s VAL 42 CO -0.13 0.25 1.23 -0.62 0.00 0.00 0.00 175.10 175.83 3a7a s ASP 43 N 1.39 6.17 0.40 3.32 2.15 0.31 -4.83 116.67 125.57 3a7a s ASP 43 Ca 0.02 -0.52 -0.23 0.00 0.43 0.00 0.00 52.55 52.25 3a7a s ASP 43 Cb -0.16 -2.54 -0.10 0.00 -0.30 0.00 0.00 42.92 39.83 3a7a s ASP 43 CO -0.03 -1.76 1.00 -0.76 -0.17 0.00 0.00 175.17 173.44 3a7a s LEU 44 N 5.44 4.11 0.76 -1.34 1.43 -1.26 -2.46 118.68 125.37 3a7a s LEU 44 Ca 0.33 1.90 -0.11 0.00 -1.03 0.00 0.00 54.13 55.23 3a7a s LEU 44 Cb -0.09 -4.26 0.05 0.00 0.03 0.00 0.00 46.19 41.92 3a7a s LEU 44 CO 0.15 -0.39 1.09 -2.16 0.23 0.00 0.00 176.35 175.26 3a7a s PRO 45 N -2.61 2.34 0.21 1.29 0.04 -1.20 -4.95 135.00 130.11 3a7a s PRO 45 Ca 0.58 1.12 -0.32 0.00 0.04 0.00 0.00 61.00 62.42 3a7a s PRO 45 Cb -0.18 -1.91 -0.13 0.00 0.04 0.00 0.00 34.50 32.33 3a7a s PRO 45 CO 0.23 -1.57 1.66 -1.91 0.04 0.00 0.00 177.00 175.45 3a7a n GLU 46 N -3.47 2.58 -2.03 4.56 4.07 -1.26 -4.90 120.64 120.19 3a7a n GLU 46 Ca 0.09 0.93 -0.43 0.00 -0.06 0.00 0.00 57.16 57.69 3a7a n GLU 46 Cb 0.53 -2.74 -0.03 0.00 -0.06 0.00 0.00 31.44 29.14 3a7a n GLU 46 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 3a7a s VAL 47 N 0.94 3.58 0.00 6.31 1.01 -1.26 -3.23 120.40 127.76 3a7a s VAL 47 Ca 0.75 0.66 0.00 0.00 0.00 0.00 0.00 61.98 63.39 3a7a s VAL 47 Cb -0.56 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.24 3a7a s VAL 47 CO 0.36 -0.23 0.00 0.61 0.00 0.00 0.00 175.10 175.84 3a7a n GLY 48 N 4.70 0.79 3.09 4.51 0.00 -0.41 -5.07 105.19 112.79 3a7a n GLY 48 Ca 0.20 -0.39 -0.23 0.00 0.00 0.00 0.00 46.02 45.60 3a7a n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a7a s ALA 49 N -2.78 1.18 -0.46 4.61 0.00 -1.20 -4.88 121.76 118.24 3a7a s ALA 49 Ca 0.00 -0.56 -0.27 0.00 0.00 0.00 0.00 51.96 51.14 3a7a s ALA 49 Cb 0.00 -0.36 0.03 0.00 0.00 0.00 0.00 23.12 22.79 3a7a s ALA 49 CO 0.00 0.25 0.99 0.99 0.00 0.00 0.00 175.76 177.99 3a7a s THR 50 N -0.10 4.39 0.29 0.00 2.01 -1.26 -0.52 115.64 120.46 3a7a s THR 50 Ca 0.01 0.91 0.09 0.00 0.31 0.00 0.00 61.69 63.01 3a7a s THR 50 Cb -0.08 -4.48 -0.04 0.00 0.01 0.00 0.00 72.50 67.90 3a7a s THR 50 CO 0.00 -0.88 0.02 0.68 -0.69 0.00 0.00 174.62 173.75 3a7a s VAL 51 N 3.96 3.18 0.17 3.82 -7.23 -0.14 -4.99 120.40 119.18 3a7a s VAL 51 Ca 0.40 -1.91 0.10 0.00 -1.81 0.00 0.00 61.98 58.77 3a7a s VAL 51 Cb -0.09 -2.83 -0.04 0.00 0.56 0.00 0.00 36.38 33.97 3a7a s VAL 51 CO 0.28 -0.31 -0.18 -0.44 -0.31 0.00 0.00 175.10 174.14 3a7a s SER 52 N -3.71 3.79 0.27 4.85 0.01 -1.26 -0.96 113.70 116.70 3a7a s SER 52 Ca 0.33 -0.70 -0.30 0.00 1.31 0.00 0.00 55.95 56.59 3a7a s SER 52 Cb -0.05 -0.47 -0.10 0.00 0.21 0.00 0.00 66.02 65.61 3a7a s SER 52 CO 0.20 0.13 1.45 0.00 0.41 0.00 0.00 173.24 175.43 3a7a s ALA 53 N -1.53 3.63 0.00 1.44 0.00 -1.26 -1.44 121.76 122.60 3a7a s ALA 53 Ca 0.21 1.38 0.00 0.00 0.00 0.00 0.00 51.96 53.55 3a7a s ALA 53 Cb -0.09 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.47 3a7a s ALA 53 CO 0.11 -0.79 0.00 0.41 0.00 0.00 0.00 175.76 175.49 3a7a n GLY 54 N 1.91 1.74 3.71 0.00 0.00 0.54 -4.91 105.19 108.18 3a7a n GLY 54 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 3a7a n GLY 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3a7a s ASP 55 N -3.20 7.31 -0.01 1.61 1.11 -0.52 -4.81 116.67 118.16 3a7a s ASP 55 Ca 0.00 1.60 -0.30 0.00 0.18 0.00 0.00 52.55 54.03 3a7a s ASP 55 Cb 0.00 -2.55 -0.07 0.00 1.07 0.00 0.00 42.92 41.37 3a7a s ASP 55 CO 0.00 -0.29 1.71 1.51 1.18 0.00 0.00 175.17 179.28 3a7a s ASP 56 N 1.01 6.62 0.00 0.27 -4.77 -1.26 -1.57 116.67 116.98 3a7a s ASP 56 Ca 0.50 2.36 0.00 0.00 -3.30 0.00 0.00 52.55 52.11 3a7a s ASP 56 Cb -0.20 -2.54 0.00 0.00 -1.09 0.00 0.00 42.92 39.09 3a7a s ASP 56 CO 0.25 -0.94 0.56 0.00 0.70 0.00 0.00 175.17 175.74 3a7a s ALA 58 N -0.29 -1.87 -0.13 0.00 0.00 -1.13 -3.25 121.76 115.09 3a7a s ALA 58 Ca 0.00 1.40 0.01 0.00 0.00 0.00 0.00 51.96 53.36 3a7a s ALA 58 Cb 0.00 -0.31 0.02 0.00 0.00 0.00 0.00 23.12 22.83 3a7a s ALA 58 CO 0.00 -0.40 -0.14 0.08 0.00 0.00 0.00 175.76 175.30 3a7a s VAL 59 N -1.56 1.50 -0.24 0.00 1.01 -1.03 -1.45 120.40 118.65 3a7a s VAL 59 Ca -0.03 -0.61 -0.16 0.00 0.00 0.00 0.00 61.98 61.19 3a7a s VAL 59 Cb -0.00 -1.40 -0.04 0.00 0.00 0.00 0.00 36.38 34.94 3a7a s VAL 59 CO 0.01 0.45 0.40 0.00 0.00 0.00 0.00 175.10 175.96 3a7a s ALA 60 N 1.31 3.57 -0.44 5.51 0.00 0.53 -0.53 121.76 131.71 3a7a s ALA 60 Ca 0.01 -0.66 -0.09 0.00 0.00 0.00 0.00 51.96 51.21 3a7a s ALA 60 Cb -0.14 -2.70 0.10 0.00 0.00 0.00 0.00 23.12 20.38 3a7a s ALA 60 CO -0.07 -0.50 0.30 -2.00 0.00 0.00 0.00 175.76 173.49 3a7a s GLU 61 N 1.75 2.57 0.14 0.00 2.12 0.17 0.12 118.70 125.58 3a7a s GLU 61 Ca 0.18 -1.59 0.04 0.00 0.36 0.00 0.00 54.97 53.95 3a7a s GLU 61 Cb -0.15 -3.86 -0.04 0.00 0.26 0.00 0.00 34.13 30.34 3a7a s GLU 61 CO 0.09 -1.06 0.18 -1.54 -0.54 0.00 0.00 175.26 172.39 3a7a s SER 62 N 2.39 5.85 0.57 -1.70 1.04 0.22 -1.85 113.70 120.22 3a7a s SER 62 Ca 0.04 0.02 0.23 0.00 0.48 0.00 0.00 55.95 56.72 3a7a s SER 62 Cb -0.24 -1.64 0.79 0.00 0.10 0.00 0.00 66.02 65.03 3a7a s SER 62 CO 0.01 0.08 1.19 1.33 0.98 0.00 0.00 173.24 176.84 3a7a n VAL 63 N -0.26 0.00 -0.01 5.02 0.24 -0.82 0.72 118.33 123.21 3a7a n VAL 63 Ca -0.08 1.16 -0.08 0.00 -2.04 0.00 0.00 64.34 63.31 3a7a n VAL 63 Cb 0.54 -2.09 -0.13 0.00 -1.47 0.00 0.00 33.84 30.68 3a7a n VAL 63 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 3a7a h LYS 64 N 0.00 0.00 0.00 7.34 3.64 -1.84 -3.50 116.57 122.21 3a7a h LYS 64 Ca 0.43 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.81 3a7a h LYS 64 Cb 2.69 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 34.51 3a7a h LYS 64 CO -0.00 0.49 0.00 0.00 -2.27 0.00 0.00 179.45 177.67 3a7a n ALA 65 N -2.53 0.00 -2.97 5.00 0.00 0.22 -5.08 120.51 115.17 3a7a n ALA 65 Ca -0.15 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 52.85 3a7a n ALA 65 Cb 1.02 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.43 3a7a n ALA 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3a7a s ALA 66 N -2.00 3.25 0.06 0.00 0.00 -1.26 -0.61 121.76 121.20 3a7a s ALA 66 Ca 0.00 -2.04 -0.08 0.00 0.00 0.00 0.00 51.96 49.85 3a7a s ALA 66 Cb 0.00 -3.73 -0.05 0.00 0.00 0.00 0.00 23.12 19.34 3a7a s ALA 66 CO 0.00 -2.61 0.34 -1.12 0.00 0.00 0.00 175.76 172.37 3a7a s SER 67 N 3.66 6.55 0.23 0.00 0.01 0.34 -4.90 113.70 119.58 3a7a s SER 67 Ca 0.18 0.66 -0.23 0.00 1.31 0.00 0.00 55.95 57.87 3a7a s SER 67 Cb -0.19 -2.12 -0.09 0.00 0.21 0.00 0.00 66.02 63.83 3a7a s SER 67 CO 0.08 0.18 0.79 -1.81 0.41 0.00 0.00 173.24 172.89 3a7a s ASP 68 N -1.86 7.22 -0.10 2.44 1.01 -1.26 -0.35 116.67 123.77 3a7a s ASP 68 Ca 0.32 1.58 0.00 0.00 0.71 0.00 0.00 52.55 55.16 3a7a s ASP 68 Cb -0.13 -2.48 0.02 0.00 1.01 0.00 0.00 42.92 41.34 3a7a s ASP 68 CO 0.19 0.06 -0.08 -0.63 0.21 0.00 0.00 175.17 174.91 3a7a s ILE 69 N -1.44 1.00 0.12 0.77 1.01 -0.53 -4.87 121.20 117.26 3a7a s ILE 69 Ca 0.43 -0.30 0.04 0.00 0.00 0.00 0.00 60.65 60.81 3a7a s ILE 69 Cb -0.19 -1.00 -0.04 0.00 0.01 0.00 0.00 42.46 41.24 3a7a s ILE 69 CO 0.23 0.35 0.12 -0.31 0.00 0.00 0.00 174.94 175.34 3a7a s TYR 70 N 1.47 3.20 -0.24 3.97 2.02 -1.26 -2.12 117.35 124.40 3a7a s TYR 70 Ca 0.00 0.04 -0.24 0.00 -0.37 0.00 0.00 57.07 56.51 3a7a s TYR 70 Cb -0.13 -1.58 -0.01 0.00 -0.40 0.00 0.00 41.96 39.84 3a7a s TYR 70 CO -0.05 0.52 0.78 0.00 -1.57 0.00 0.00 175.55 175.23 3a7a s ALA 71 N -1.58 3.64 0.26 3.71 0.00 -0.61 -4.89 121.76 122.29 3a7a s ALA 71 Ca 0.31 -0.20 -0.02 0.00 0.00 0.00 0.00 51.96 52.05 3a7a s ALA 71 Cb -0.11 -3.23 0.35 0.00 0.00 0.00 0.00 23.12 20.13 3a7a s ALA 71 CO 0.23 -0.89 1.78 -1.35 0.00 0.00 0.00 175.76 175.53 3a7a h PRO 72 N 7.72 0.83 -5.10 0.00 0.11 -1.90 0.15 132.00 133.80 3a7a h PRO 72 Ca -0.24 -0.20 -0.52 0.00 0.11 0.00 0.00 66.00 65.15 3a7a h PRO 72 Cb 1.10 -0.11 -0.31 0.00 0.11 0.00 0.00 31.00 31.79 3a7a h PRO 72 CO 0.85 0.79 -0.82 0.14 -0.21 0.00 0.00 178.00 178.75 3a7a s VAL 73 N -5.10 1.22 0.95 3.15 -7.23 -1.26 -4.43 120.40 107.70 3a7a s VAL 73 Ca -0.10 -0.61 -0.10 0.00 -1.81 0.00 0.00 61.98 59.36 3a7a s VAL 73 Cb 0.15 -1.06 0.16 0.00 0.56 0.00 0.00 36.38 36.20 3a7a s VAL 73 CO 0.81 0.36 1.13 -0.44 -0.31 0.00 0.00 175.10 176.65 3a7a s SER 74 N 0.05 2.64 0.00 4.85 0.01 -1.26 -4.46 113.70 115.53 3a7a s SER 74 Ca -0.03 2.12 0.00 0.00 1.31 0.00 0.00 55.95 59.36 3a7a s SER 74 Cb -0.10 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.59 3a7a s SER 74 CO 0.01 -3.27 0.00 0.61 0.41 0.00 0.00 173.24 171.00 3a7a n GLY 75 N 0.32 0.49 3.69 3.44 0.00 -0.13 -2.51 105.19 110.48 3a7a n GLY 75 Ca 0.11 -1.68 -0.37 0.00 0.00 0.00 0.00 46.02 44.08 3a7a n GLY 75 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3a7a s GLU 76 N -2.00 4.20 -0.58 1.61 2.56 -0.82 -0.97 118.70 122.70 3a7a s GLU 76 Ca 0.00 0.14 -0.27 0.00 0.00 0.00 0.00 54.97 54.85 3a7a s GLU 76 Cb 0.00 -3.50 -0.02 0.00 2.00 0.00 0.00 34.13 32.61 3a7a s GLU 76 CO 0.00 0.06 1.89 0.42 -0.56 0.00 0.00 175.26 177.07 3a7a s ILE 77 N 1.01 3.35 0.00 -3.70 -1.09 0.32 -1.57 121.20 119.52 3a7a s ILE 77 Ca 0.18 0.22 0.00 0.00 -2.23 0.00 0.00 60.65 58.81 3a7a s ILE 77 Cb -0.14 -3.86 0.00 0.00 -1.58 0.00 0.00 42.46 36.88 3a7a s ILE 77 CO 0.07 -0.81 0.35 0.52 -1.23 0.00 0.00 174.94 173.84 3a7a n VAL 78 N 7.28 0.00 -4.44 2.92 0.31 -1.06 -1.29 118.33 122.05 3a7a n VAL 78 Ca 0.22 0.79 -0.21 0.00 -0.01 0.00 0.00 64.34 65.13 3a7a n VAL 78 Cb 0.52 -1.68 -0.10 0.00 -0.91 0.00 0.00 33.84 31.66 3a7a n VAL 78 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3a7a s ALA 79 N -3.04 2.30 0.01 3.52 0.00 -1.25 -4.42 121.76 118.88 3a7a s ALA 79 Ca 0.00 -2.01 0.02 0.00 0.00 0.00 0.00 51.96 49.97 3a7a s ALA 79 Cb 0.00 0.72 -0.01 0.00 0.00 0.00 0.00 23.12 23.83 3a7a s ALA 79 CO 0.00 -0.33 -0.06 0.08 0.00 0.00 0.00 175.76 175.45 3a7a s VAL 80 N -3.35 0.49 -1.47 0.00 1.01 -1.26 -1.70 120.40 114.12 3a7a s VAL 80 Ca 0.36 -0.48 -0.12 0.00 0.00 0.00 0.00 61.98 61.75 3a7a s VAL 80 Cb 0.08 -0.46 0.03 0.00 0.00 0.00 0.00 36.38 36.04 3a7a s VAL 80 CO 0.15 -0.01 2.38 -3.20 0.00 0.00 0.00 175.10 174.43 3a7a n ASN 81 N 2.53 5.62 -0.93 3.32 4.05 -0.43 -4.75 115.26 124.67 3a7a n ASN 81 Ca -0.16 -2.83 0.00 0.00 0.45 0.00 0.00 54.58 52.04 3a7a n ASN 81 Cb 0.57 -1.59 0.00 0.00 1.23 0.00 0.00 39.78 39.99 3a7a n ASN 81 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 177.26 173.31 3a7a n ASP 82 N 4.81 0.72 0.03 1.20 3.85 -1.26 -0.06 116.55 125.84 3a7a n ASP 82 Ca 0.58 -0.53 0.06 0.00 -0.71 0.00 0.00 54.79 54.18 3a7a n ASP 82 Cb 0.33 -0.13 -0.09 0.00 -1.35 0.00 0.00 41.12 39.88 3a7a n ASP 82 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3a7a n ALA 83 N 0.80 2.31 0.11 2.12 0.00 -1.26 -4.14 120.51 120.44 3a7a n ALA 83 Ca 0.00 -0.52 -0.04 0.00 0.00 0.00 0.00 53.44 52.88 3a7a n ALA 83 Cb 0.12 -0.87 0.12 0.00 0.00 0.00 0.00 19.45 18.82 3a7a n ALA 83 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3a7a h LEU 84 N 0.00 0.11 -0.68 0.00 3.38 -0.77 -2.40 115.31 114.96 3a7a h LEU 84 Ca -0.11 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.79 3a7a h LEU 84 Cb 1.31 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.03 3a7a h LEU 84 CO 0.02 0.74 0.00 -1.20 0.09 0.00 0.00 178.44 178.09 3a7a n SER 85 N -3.78 0.13 0.00 -0.43 7.64 -1.26 -1.89 113.62 114.03 3a7a n SER 85 Ca -0.02 -0.38 0.00 0.00 1.01 0.00 0.00 58.87 59.48 3a7a n SER 85 Cb 0.66 -0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.79 3a7a n SER 85 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3a7a n ASP 86 N 0.11 0.00 -2.95 6.43 8.00 -1.14 -4.97 116.55 122.03 3a7a n ASP 86 Ca 0.00 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.34 3a7a n ASP 86 Cb 0.03 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.12 3a7a n ASP 86 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3a7a n SER 87 N -0.61 1.63 0.33 -2.24 7.64 -0.86 -4.93 113.62 114.58 3a7a n SER 87 Ca 0.00 -3.02 0.12 0.00 1.01 0.00 0.00 58.87 56.98 3a7a n SER 87 Cb 0.00 -0.57 0.63 0.00 -1.01 0.00 0.00 64.21 63.25 3a7a n SER 87 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 3a7a h PRO 88 N 2.97 0.00 0.00 1.43 0.13 -1.64 0.30 132.00 135.19 3a7a h PRO 88 Ca 0.05 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.17 3a7a h PRO 88 Cb 0.99 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.12 3a7a h PRO 88 CO 0.55 0.00 -0.03 0.93 -0.23 0.00 0.00 178.00 179.23 3a7a h GLU 89 N 0.00 0.00 -0.59 0.86 3.07 -1.89 -1.89 114.58 114.14 3a7a h GLU 89 Ca 0.00 0.00 0.17 0.00 -0.50 0.00 0.00 59.36 59.03 3a7a h GLU 89 Cb 0.99 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.88 3a7a h GLU 89 CO -0.00 0.03 0.46 -0.07 -1.40 0.00 0.00 179.01 178.03 3a7a h LEU 90 N 0.00 0.00 -1.33 1.33 3.38 -0.76 0.40 115.31 118.33 3a7a h LEU 90 Ca -0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 3a7a h LEU 90 Cb 0.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3a7a h LEU 90 CO 0.00 0.00 -0.32 0.58 0.09 0.00 0.00 178.44 178.79 3a7a h VAL 91 N 0.00 1.24 0.06 1.22 2.07 -1.55 0.17 116.25 119.46 3a7a h VAL 91 Ca 0.28 -1.12 -0.12 0.00 0.82 0.00 0.00 66.70 66.56 3a7a h VAL 91 Cb 1.20 1.59 0.00 0.00 -1.52 0.00 0.00 31.29 32.56 3a7a h VAL 91 CO -0.00 0.32 -0.57 0.78 0.02 0.00 0.00 177.57 178.12 3a7a h ASN 92 N 0.02 0.20 -0.11 0.57 -0.26 -0.42 -3.26 115.58 112.32 3a7a h ASN 92 Ca 0.00 -0.92 -0.09 0.00 -0.56 0.00 0.00 56.30 54.73 3a7a h ASN 92 Cb 0.58 -0.07 0.00 0.00 -1.06 0.00 0.00 38.32 37.77 3a7a h ASN 92 CO 0.04 1.26 -0.29 0.77 -1.06 0.00 0.00 177.43 178.15 3a7a h SER 93 N -0.71 0.44 -2.14 5.81 4.64 -1.21 -3.39 113.55 117.01 3a7a h SER 93 Ca -0.12 -0.59 -0.55 0.00 -0.47 0.00 0.00 61.79 60.06 3a7a h SER 93 Cb 1.34 -0.13 -0.41 0.00 -0.31 0.00 0.00 62.40 62.89 3a7a h SER 93 CO 0.04 0.96 -0.88 -0.62 -0.87 0.00 0.00 176.83 175.45 3a7a n GLU 94 N -4.42 2.03 -0.02 4.77 1.02 0.60 -4.92 120.64 119.70 3a7a n GLU 94 Ca -0.07 -4.12 0.23 0.00 -0.02 0.00 0.00 57.16 53.18 3a7a n GLU 94 Cb 0.47 -1.92 0.72 0.00 -0.02 0.00 0.00 31.44 30.69 3a7a n GLU 94 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 3a7a h PRO 95 N 3.32 0.00 0.00 3.49 0.13 -1.65 0.35 132.00 137.64 3a7a h PRO 95 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3a7a h PRO 95 Cb 0.73 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 3a7a h PRO 95 CO 0.67 0.00 -1.52 0.66 -0.23 0.00 0.00 178.00 177.57 3a7a n TYR 96 N -4.06 0.00 0.00 1.56 4.01 -1.26 -4.26 117.16 113.15 3a7a n TYR 96 Ca 0.12 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.86 3a7a n TYR 96 Cb 0.73 -0.28 0.00 0.00 -0.31 0.00 0.00 39.34 39.47 3a7a n TYR 96 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3a7a n ALA 97 N -1.91 0.00 0.50 -0.72 0.00 -0.31 -4.82 120.51 113.25 3a7a n ALA 97 Ca -0.02 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.55 3a7a n ALA 97 Cb 0.36 0.00 0.33 0.00 0.00 0.00 0.00 19.45 20.13 3a7a n ALA 97 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3a7a h GLY 98 N 0.00 0.00 -2.95 0.00 0.00 -1.82 -3.31 103.07 95.00 3a7a h GLY 98 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.16 3a7a h GLY 98 CO 0.00 0.00 0.22 0.61 0.00 0.00 0.00 176.54 177.37 3a7a n GLY 99 N 1.24 3.11 3.74 4.60 0.00 0.11 -4.84 105.19 113.15 3a7a n GLY 99 Ca 0.05 -0.49 -0.41 0.00 0.00 0.00 0.00 46.02 45.17 3a7a n GLY 99 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3a7a s TRP 100 N -1.02 3.79 -0.11 1.61 1.48 -1.25 -4.55 118.94 118.89 3a7a s TRP 100 Ca 0.17 1.67 -0.04 0.00 -1.06 0.00 0.00 56.10 56.84 3a7a s TRP 100 Cb 0.14 -2.95 -0.01 0.00 -1.16 0.00 0.00 33.47 29.49 3a7a s TRP 100 CO 0.01 0.25 -0.08 0.82 -4.06 0.00 0.00 176.95 173.89 3a7a h ILE 101 N 4.04 0.00 -3.71 0.66 2.04 -1.14 -3.40 117.51 116.01 3a7a h ILE 101 Ca -0.43 -0.94 -0.09 0.00 1.00 0.00 0.00 64.86 64.40 3a7a h ILE 101 Cb 1.21 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 37.20 3a7a h ILE 101 CO 0.71 0.00 -0.13 0.72 0.00 0.00 0.00 178.15 179.46 3a7a s PHE 102 N -1.81 0.46 0.41 1.37 -0.71 -1.14 -1.31 117.98 115.26 3a7a s PHE 102 Ca -0.06 -0.81 0.07 0.00 -1.04 0.00 0.00 56.93 55.08 3a7a s PHE 102 Cb 0.01 0.16 -0.07 0.00 -1.21 0.00 0.00 43.02 41.91 3a7a s PHE 102 CO 0.09 -1.02 0.07 0.15 -1.34 0.00 0.00 175.22 173.17 3a7a s LYS 103 N -3.84 2.06 0.10 1.99 1.02 -0.69 0.38 119.74 120.76 3a7a s LYS 103 Ca 0.24 -2.03 -0.26 0.00 0.02 0.00 0.00 55.97 53.94 3a7a s LYS 103 Cb -0.01 -1.76 0.08 0.00 -0.52 0.00 0.00 37.83 35.62 3a7a s LYS 103 CO 0.11 -0.08 0.87 -1.50 -0.92 0.00 0.00 175.35 173.83 3a7a s ILE 104 N -2.68 0.00 -0.21 2.17 2.07 0.15 -2.58 121.20 120.12 3a7a s ILE 104 Ca 0.36 -0.33 -0.04 0.00 -1.41 0.00 0.00 60.65 59.23 3a7a s ILE 104 Cb 0.08 -1.47 -0.01 0.00 0.13 0.00 0.00 42.46 41.19 3a7a s ILE 104 CO 0.19 0.00 -0.03 -0.75 -1.91 0.00 0.00 174.94 172.45 3a7a s LYS 105 N -3.31 3.46 -0.91 3.50 2.20 -0.61 -1.28 119.74 122.79 3a7a s LYS 105 Ca 0.08 -0.59 -0.24 0.00 -0.36 0.00 0.00 55.97 54.85 3a7a s LYS 105 Cb -0.01 -3.04 0.00 0.00 -1.51 0.00 0.00 37.83 33.27 3a7a s LYS 105 CO -0.04 -0.13 1.66 0.00 -0.36 0.00 0.00 175.35 176.48 3a7a s ALA 106 N 1.34 2.27 0.14 3.13 0.00 -1.26 -1.94 121.76 125.43 3a7a s ALA 106 Ca 0.04 -1.75 -0.28 0.00 0.00 0.00 0.00 51.96 49.97 3a7a s ALA 106 Cb -0.14 -4.49 -0.04 0.00 0.00 0.00 0.00 23.12 18.44 3a7a s ALA 106 CO -0.01 -4.07 1.58 0.66 0.00 0.00 0.00 175.76 173.92 3a7a h SER 107 N 10.83 -1.30 -3.72 0.00 4.64 -1.84 -3.35 113.55 118.81 3a7a h SER 107 Ca 0.08 0.18 -0.69 0.00 -0.47 0.00 0.00 61.79 60.89 3a7a h SER 107 Cb 1.02 0.54 -0.32 0.00 -0.31 0.00 0.00 62.40 63.34 3a7a h SER 107 CO 1.31 -0.41 -0.66 -0.62 -0.87 0.00 0.00 176.83 175.58 3a7a s ASP 108 N -4.92 5.04 0.00 4.97 2.15 -1.26 -4.98 116.67 117.66 3a7a s ASP 108 Ca -0.15 -1.29 0.12 0.00 0.43 0.00 0.00 52.55 51.65 3a7a s ASP 108 Cb 0.10 -1.76 0.35 0.00 -0.30 0.00 0.00 42.92 41.30 3a7a s ASP 108 CO 0.65 -0.30 1.28 -0.62 -0.17 0.00 0.00 175.17 176.01 3a7a n GLU 109 N 4.67 1.83 0.00 4.34 1.02 -1.26 -3.55 120.64 127.69 3a7a n GLU 109 Ca -0.12 -1.29 0.10 0.00 -0.02 0.00 0.00 57.16 55.83 3a7a n GLU 109 Cb 0.44 -1.29 0.55 0.00 -0.02 0.00 0.00 31.44 31.11 3a7a n GLU 109 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3a7a n SER 110 N 0.54 0.00 0.11 1.62 3.41 -1.26 -2.78 113.62 115.27 3a7a n SER 110 Ca 0.12 -0.26 -0.19 0.00 -0.26 0.00 0.00 58.87 58.28 3a7a n SER 110 Cb 0.31 -0.17 -0.15 0.00 -0.26 0.00 0.00 64.21 63.94 3a7a n SER 110 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3a7a h GLU 111 N 0.00 0.36 -0.68 4.33 5.08 -1.97 -3.28 114.58 118.43 3a7a h GLU 111 Ca 0.00 -0.61 0.11 0.00 -1.00 0.00 0.00 59.36 57.86 3a7a h GLU 111 Cb 0.11 0.23 -0.08 0.00 0.50 0.00 0.00 28.75 29.51 3a7a h GLU 111 CO 0.00 1.28 0.27 -0.07 -1.00 0.00 0.00 179.01 179.48 3a7a h LEU 112 N 0.10 0.27 -0.89 1.33 -0.00 -1.81 -1.84 115.31 112.47 3a7a h LEU 112 Ca -0.20 0.09 0.25 0.00 -0.00 0.00 0.00 57.88 58.01 3a7a h LEU 112 Cb 2.05 0.06 -0.14 0.00 -0.00 0.00 0.00 40.66 42.63 3a7a h LEU 112 CO 0.22 0.14 0.25 -0.33 -0.00 0.00 0.00 178.44 178.72 3a7a h GLU 113 N 0.44 0.20 -2.07 1.13 4.39 -1.70 -2.44 114.58 114.53 3a7a h GLU 113 Ca 0.35 -0.01 -0.77 0.00 0.34 0.00 0.00 59.36 59.28 3a7a h GLU 113 Cb 0.47 -0.04 -0.28 0.00 -0.10 0.00 0.00 28.75 28.79 3a7a h GLU 113 CO -0.34 0.13 0.89 0.43 -1.16 0.00 0.00 179.01 178.96 3a7a n SER 114 N -5.23 7.20 -1.81 1.42 7.64 -0.69 -4.95 113.62 117.20 3a7a n SER 114 Ca 0.22 -3.78 -0.01 0.00 1.01 0.00 0.00 58.87 56.32 3a7a n SER 114 Cb 0.72 -1.05 -0.00 0.00 -1.01 0.00 0.00 64.21 62.87 3a7a n SER 114 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3a7a n LEU 115 N -0.36 0.00 -4.39 -3.43 4.77 -0.92 -5.04 117.00 107.63 3a7a n LEU 115 Ca 0.50 -0.13 -0.32 0.00 -0.03 0.00 0.00 56.01 56.03 3a7a n LEU 115 Cb 0.27 0.03 -0.15 0.00 -2.33 0.00 0.00 43.42 41.25 3a7a n LEU 115 CO 0.50 -0.02 -0.51 -0.76 -1.33 0.00 0.00 177.39 175.27 3a7a s LEU 116 N 0.00 2.42 0.00 2.23 1.02 -1.13 -5.03 118.68 118.19 3a7a s LEU 116 Ca 0.00 -0.34 -0.04 0.00 0.02 0.00 0.00 54.13 53.77 3a7a s LEU 116 Cb 0.00 -1.46 0.07 0.00 0.02 0.00 0.00 46.19 44.82 3a7a s LEU 116 CO 0.00 0.31 0.45 -0.90 0.02 0.00 0.00 176.35 176.23 3a7a n ASP 117 N 2.52 0.15 0.09 2.29 3.85 -1.26 -0.92 116.55 123.27 3a7a n ASP 117 Ca -0.17 -1.23 -0.04 0.00 -0.71 0.00 0.00 54.79 52.64 3a7a n ASP 117 Cb 0.52 -0.33 -0.02 0.00 -1.35 0.00 0.00 41.12 39.94 3a7a n ASP 117 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3a7a h ALA 118 N -1.57 -1.00 -0.26 2.12 0.00 -1.78 -2.80 119.26 113.97 3a7a h ALA 118 Ca -0.14 -0.05 0.08 0.00 0.00 0.00 0.00 54.91 54.79 3a7a h ALA 118 Cb 0.43 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3a7a h ALA 118 CO 0.11 -0.99 0.40 1.79 0.00 0.00 0.00 179.25 180.57 3a7a h THR 119 N -0.23 0.25 -0.00 0.00 1.35 -1.92 0.90 112.91 113.26 3a7a h THR 119 Ca -0.02 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.84 3a7a h THR 119 Cb 0.18 0.66 0.00 0.00 -1.73 0.00 0.00 68.15 67.26 3a7a h THR 119 CO 0.03 0.00 -0.01 0.00 -0.25 0.00 0.00 175.52 175.29 3a7a n ALA 120 N -2.19 2.53 -0.09 6.62 0.00 -1.08 -3.47 120.51 122.83 3a7a n ALA 120 Ca 0.04 -0.16 -0.20 0.00 0.00 0.00 0.00 53.44 53.12 3a7a n ALA 120 Cb 0.53 -1.48 -0.12 0.00 0.00 0.00 0.00 19.45 18.38 3a7a n ALA 120 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 3a7a h TYR 121 N 0.05 0.01 -0.90 0.00 3.20 0.11 -3.27 116.97 116.17 3a7a h TYR 121 Ca 0.00 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 61.94 3a7a h TYR 121 Cb 0.27 -0.00 -0.06 0.00 1.54 0.00 0.00 36.73 38.47 3a7a h TYR 121 CO 0.00 1.36 0.58 0.93 -1.64 0.00 0.00 178.16 179.39 3a7a h GLU 122 N -0.98 0.94 -0.14 1.82 3.07 -1.65 0.22 114.58 117.86 3a7a h GLU 122 Ca -0.25 -0.06 0.04 0.00 -0.50 0.00 0.00 59.36 58.59 3a7a h GLU 122 Cb 1.23 -0.21 -0.01 0.00 -0.84 0.00 0.00 28.75 28.92 3a7a h GLU 122 CO -0.15 0.62 0.12 0.00 -1.40 0.00 0.00 179.01 178.21 3a7a h ALA 123 N 1.53 1.93 0.00 3.43 0.00 -1.70 0.33 119.26 124.79 3a7a h ALA 123 Ca 0.40 -0.00 -0.22 0.00 0.00 0.00 0.00 54.91 55.09 3a7a h ALA 123 Cb 0.28 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 3a7a h ALA 123 CO -0.16 -0.19 -1.36 1.25 0.00 0.00 0.00 179.25 178.79 3a7a h LEU 124 N 0.00 0.00 -0.60 0.00 5.85 -0.73 -3.37 115.31 116.45 3a7a h LEU 124 Ca 0.06 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.64 3a7a h LEU 124 Cb 0.30 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 3a7a h LEU 124 CO -0.00 0.82 -0.52 -0.07 -0.34 0.00 0.00 178.44 178.33 3a7a h LEU 125 N 0.00 0.53 -0.35 2.25 3.38 0.12 -0.03 115.31 121.21 3a7a h LEU 125 Ca -0.17 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.53 3a7a h LEU 125 Cb 1.77 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 42.37 3a7a h LEU 125 CO 0.08 0.96 0.00 1.21 0.09 0.00 0.00 178.44 180.77 3a7a n GLU 126 N -3.96 0.86 0.10 1.13 2.13 -0.68 -3.84 120.64 116.37 3a7a n GLU 126 Ca -0.03 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.79 3a7a n GLU 126 Cb 0.58 -1.15 0.00 0.00 0.27 0.00 0.00 31.44 31.14 3a7a n GLU 126 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 3a7a n ASP 127 N -0.30 0.17 -0.55 4.31 9.92 -1.12 -5.12 116.55 123.85 3a7a n ASP 127 Ca 0.00 0.33 0.14 0.00 -0.53 0.00 0.00 54.79 54.73 3a7a n ASP 127 Cb 0.08 0.16 0.46 0.00 -0.64 0.00 0.00 41.12 41.18 3a7a n ASP 127 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54