#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xs5 s ASP 6 N 0.00 6.35 0.59 4.39 1.01 -1.26 -4.95 116.67 122.81 1xs5 s ASP 6 Ca 0.00 3.00 -0.18 0.00 0.71 0.00 0.00 52.55 56.08 1xs5 s ASP 6 Cb 0.00 -2.65 -0.03 0.00 1.01 0.00 0.00 42.92 41.25 1xs5 s ASP 6 CO 0.00 -0.90 1.15 -1.61 0.21 0.00 0.00 175.17 174.02 1xs5 s GLU 7 N -1.19 3.07 -0.03 8.23 2.02 -1.26 -4.72 118.70 124.82 1xs5 s GLU 7 Ca 0.59 1.62 0.03 0.00 0.02 0.00 0.00 54.97 57.23 1xs5 s GLU 7 Cb -0.47 -1.96 -0.03 0.00 0.10 0.00 0.00 34.13 31.76 1xs5 s GLU 7 CO 0.55 -1.08 -0.11 0.99 0.02 0.00 0.00 175.26 175.63 1xs5 s THR 8 N -1.87 3.34 -0.03 3.63 2.01 -1.26 -1.40 115.64 120.06 1xs5 s THR 8 Ca 0.73 -0.72 0.03 0.00 0.31 0.00 0.00 61.69 62.04 1xs5 s THR 8 Cb -0.25 -2.37 0.00 0.00 0.01 0.00 0.00 72.50 69.89 1xs5 s THR 8 CO 0.33 0.52 -0.13 0.68 -0.69 0.00 0.00 174.62 175.33 1xs5 s VAL 9 N -0.84 1.07 0.00 3.82 -7.23 -0.71 -4.97 120.40 111.55 1xs5 s VAL 9 Ca 0.13 -0.52 -0.14 0.00 -1.81 0.00 0.00 61.98 59.64 1xs5 s VAL 9 Cb -0.11 -0.93 -0.06 0.00 0.56 0.00 0.00 36.38 35.84 1xs5 s VAL 9 CO 0.03 0.32 0.40 -0.83 -0.31 0.00 0.00 175.10 174.71 1xs5 s GLY 10 N 0.12 2.47 -0.12 2.32 0.00 -1.26 -0.98 107.32 109.87 1xs5 s GLY 10 Ca -0.03 -0.24 0.00 0.00 0.00 0.00 0.00 44.72 44.45 1xs5 s GLY 10 CO 0.01 0.12 -0.10 0.54 0.00 0.00 0.00 173.10 173.67 1xs5 s VAL 11 N -1.10 1.17 0.20 1.40 0.11 -0.20 -1.57 120.40 120.42 1xs5 s VAL 11 Ca 0.24 -0.39 -0.30 0.00 -2.93 0.00 0.00 61.98 58.60 1xs5 s VAL 11 Cb -0.16 -1.15 -0.08 0.00 -1.53 0.00 0.00 36.38 33.46 1xs5 s VAL 11 CO 0.13 0.39 0.99 -0.83 -3.33 0.00 0.00 175.10 172.45 1xs5 s GLY 12 N 1.54 3.04 0.08 6.54 0.00 0.09 -1.27 107.32 117.34 1xs5 s GLY 12 Ca 0.03 0.68 0.02 0.00 0.00 0.00 0.00 44.72 45.44 1xs5 s GLY 12 CO -0.07 1.37 -0.06 0.54 0.00 0.00 0.00 173.10 174.87 1xs5 s VAL 13 N -0.74 0.59 -0.18 1.40 0.11 0.09 -0.61 120.40 121.06 1xs5 s VAL 13 Ca 0.44 -1.68 -0.01 0.00 -2.93 0.00 0.00 61.98 57.80 1xs5 s VAL 13 Cb -0.27 -1.36 -0.11 0.00 -1.53 0.00 0.00 36.38 33.12 1xs5 s VAL 13 CO 0.33 -0.75 -0.18 -0.11 -3.33 0.00 0.00 175.10 171.06 1xs5 n LEU 14 N 0.40 2.57 0.00 2.54 7.94 -1.26 -1.24 117.00 127.95 1xs5 n LEU 14 Ca -0.15 -0.01 0.00 0.00 -1.11 0.00 0.00 56.01 54.74 1xs5 n LEU 14 Cb 0.59 -0.60 0.00 0.00 0.53 0.00 0.00 43.42 43.94 1xs5 n LEU 14 CO 0.27 0.70 0.24 -1.54 -1.11 0.00 0.00 177.39 175.95 1xs5 n SER 15 N -3.23 -0.34 -4.78 1.96 3.41 -1.26 -4.75 113.62 104.63 1xs5 n SER 15 Ca -0.33 -1.12 -0.33 0.00 -0.26 0.00 0.00 58.87 56.83 1xs5 n SER 15 Cb 0.82 0.53 0.02 0.00 -0.26 0.00 0.00 64.21 65.32 1xs5 n SER 15 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1xs5 s GLU 16 N -2.01 3.12 0.00 4.33 0.41 -1.26 -1.83 118.70 121.46 1xs5 s GLU 16 Ca 0.07 1.35 0.28 0.00 -0.41 0.00 0.00 54.97 56.25 1xs5 s GLU 16 Cb -0.00 -2.00 0.98 0.00 -1.78 0.00 0.00 34.13 31.33 1xs5 s GLU 16 CO 0.00 -0.99 1.72 -0.35 -0.49 0.00 0.00 175.26 175.15 1xs5 n PRO 17 N -2.05 0.32 -0.13 0.39 -0.04 -1.26 -4.72 135.00 127.51 1xs5 n PRO 17 Ca 0.10 -0.12 0.06 0.00 -0.04 0.00 0.00 63.50 63.49 1xs5 n PRO 17 Cb 0.52 -1.50 0.37 0.00 -0.04 0.00 0.00 33.50 32.85 1xs5 n PRO 17 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1xs5 h HIS 18 N 0.30 0.70 -0.18 0.54 3.86 -1.79 -2.59 115.15 115.98 1xs5 h HIS 18 Ca 0.00 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.22 1xs5 h HIS 18 Cb 0.45 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.68 1xs5 h HIS 18 CO 0.00 0.39 0.08 0.00 0.86 0.00 0.00 177.93 179.27 1xs5 h ALA 19 N 1.64 0.23 -0.93 2.45 0.00 -1.69 -0.15 119.26 120.81 1xs5 h ALA 19 Ca 0.26 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1xs5 h ALA 19 Cb 0.15 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1xs5 h ALA 19 CO -0.08 -0.21 0.54 -0.09 0.00 0.00 0.00 179.25 179.42 1xs5 h ARG 20 N 0.15 1.27 -0.48 0.00 9.65 -1.77 -1.83 114.38 121.38 1xs5 h ARG 20 Ca 0.06 -0.13 -0.06 0.00 -1.10 0.00 0.00 59.98 58.75 1xs5 h ARG 20 Cb 0.13 -0.26 -0.02 0.00 -1.39 0.00 0.00 29.97 28.43 1xs5 h ARG 20 CO -0.01 0.90 0.05 -0.07 2.80 0.00 0.00 179.97 183.64 1xs5 h LEU 21 N 1.29 0.72 -1.17 3.80 4.07 -1.13 -1.95 115.31 120.93 1xs5 h LEU 21 Ca 0.33 -0.15 -0.08 0.00 0.08 0.00 0.00 57.88 58.06 1xs5 h LEU 21 Cb -0.03 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 41.51 1xs5 h LEU 21 CO -0.06 0.76 -0.39 -0.07 -1.08 0.00 0.00 178.44 177.60 1xs5 h LEU 22 N 0.72 0.00 -0.80 1.67 3.38 -0.60 -0.94 115.31 118.74 1xs5 h LEU 22 Ca 0.15 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.00 1xs5 h LEU 22 Cb 0.38 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1xs5 h LEU 22 CO 0.01 0.39 -0.48 -0.33 0.09 0.00 0.00 178.44 178.11 1xs5 h GLU 23 N 0.00 0.28 -0.21 1.13 4.39 -0.63 0.22 114.58 119.76 1xs5 h GLU 23 Ca -0.00 -0.16 -0.19 0.00 0.34 0.00 0.00 59.36 59.35 1xs5 h GLU 23 Cb 0.75 0.01 0.01 0.00 -0.10 0.00 0.00 28.75 29.42 1xs5 h GLU 23 CO 0.05 0.71 -0.62 0.82 -1.16 0.00 0.00 179.01 178.80 1xs5 h ILE 24 N 0.22 1.29 -0.47 3.13 2.04 -0.91 -2.81 117.51 120.00 1xs5 h ILE 24 Ca 0.01 -1.82 -0.06 0.00 1.00 0.00 0.00 64.86 63.99 1xs5 h ILE 24 Cb 0.94 1.84 -0.02 0.00 -0.74 0.00 0.00 36.82 38.83 1xs5 h ILE 24 CO 0.08 0.58 0.06 0.00 0.00 0.00 0.00 178.15 178.87 1xs5 h ALA 25 N 0.60 1.23 -0.20 1.87 0.00 -0.94 -2.40 119.26 119.42 1xs5 h ALA 25 Ca -0.02 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1xs5 h ALA 25 Cb 1.25 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1xs5 h ALA 25 CO 0.13 0.52 0.10 -0.22 0.00 0.00 0.00 179.25 179.78 1xs5 h LYS 26 N 0.70 0.29 -0.61 0.00 3.64 -0.48 -0.94 116.57 119.16 1xs5 h LYS 26 Ca 0.15 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.50 1xs5 h LYS 26 Cb 0.34 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.08 1xs5 h LYS 26 CO 0.01 0.32 0.39 0.93 -2.27 0.00 0.00 179.45 178.82 1xs5 h GLU 27 N 0.20 0.75 -0.52 1.90 5.08 -1.29 -2.55 114.58 118.15 1xs5 h GLU 27 Ca 0.07 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.32 1xs5 h GLU 27 Cb 0.12 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 1xs5 h GLU 27 CO -0.01 0.50 0.07 0.93 -1.00 0.00 0.00 179.01 179.50 1xs5 h GLU 28 N 0.78 0.86 0.00 2.33 4.39 -1.10 -2.89 114.58 118.95 1xs5 h GLU 28 Ca 0.24 -0.24 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1xs5 h GLU 28 Cb -0.02 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.53 1xs5 h GLU 28 CO -0.08 0.85 0.00 1.33 -1.16 0.00 0.00 179.01 179.95 1xs5 n VAL 29 N -4.38 0.33 0.22 3.13 0.24 -0.39 -2.43 118.33 115.05 1xs5 n VAL 29 Ca 0.01 -0.08 0.06 0.00 -2.04 0.00 0.00 64.34 62.30 1xs5 n VAL 29 Cb 0.27 -0.60 0.54 0.00 -1.47 0.00 0.00 33.84 32.58 1xs5 n VAL 29 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 1xs5 h LYS 30 N 0.00 0.03 0.00 7.34 1.63 -1.23 0.54 116.57 124.89 1xs5 h LYS 30 Ca 0.00 -0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.79 1xs5 h LYS 30 Cb 0.56 -0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 32.19 1xs5 h LYS 30 CO 0.00 0.13 -0.04 0.87 -3.45 0.00 0.00 179.45 176.96 1xs5 h LYS 31 N 0.03 0.00 -0.53 1.90 1.57 -1.57 0.36 116.57 118.33 1xs5 h LYS 31 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1xs5 h LYS 31 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1xs5 h LYS 31 CO 0.01 0.04 0.00 1.04 -0.57 0.00 0.00 179.45 179.97 1xs5 n GLN 32 N -3.37 3.88 -3.36 3.15 6.02 0.08 -4.92 117.38 118.86 1xs5 n GLN 32 Ca -0.02 -2.91 -0.19 0.00 -0.01 0.00 0.00 57.00 53.88 1xs5 n GLN 32 Cb 0.17 -1.95 0.07 0.00 1.02 0.00 0.00 30.24 29.55 1xs5 n GLN 32 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1xs5 n HIS 33 N 0.62 -2.27 -4.81 1.08 8.25 0.13 -5.00 115.22 113.21 1xs5 n HIS 33 Ca 0.25 0.82 -0.33 0.00 -0.26 0.00 0.00 57.72 58.20 1xs5 n HIS 33 Cb 0.95 -4.36 -0.16 0.00 1.12 0.00 0.00 29.99 27.55 1xs5 n HIS 33 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1xs5 s ILE 34 N -3.27 2.45 -0.39 1.59 1.01 -0.60 -3.98 121.20 118.01 1xs5 s ILE 34 Ca 0.40 -0.86 -0.13 0.00 0.00 0.00 0.00 60.65 60.06 1xs5 s ILE 34 Cb -0.17 -2.00 0.02 0.00 0.01 0.00 0.00 42.46 40.32 1xs5 s ILE 34 CO 0.60 0.54 0.25 -0.70 0.00 0.00 0.00 174.94 175.63 1xs5 s GLU 35 N 0.58 2.89 -0.30 2.79 2.12 -0.49 -3.15 118.70 123.14 1xs5 s GLU 35 Ca -0.11 -1.06 -0.23 0.00 0.36 0.00 0.00 54.97 53.94 1xs5 s GLU 35 Cb -0.16 -3.85 -0.00 0.00 0.26 0.00 0.00 34.13 30.37 1xs5 s GLU 35 CO 0.03 -0.73 0.74 -1.17 -0.54 0.00 0.00 175.26 173.60 1xs5 s LEU 36 N 1.61 4.10 -0.28 2.70 2.96 -1.26 -1.74 118.68 126.77 1xs5 s LEU 36 Ca 0.03 0.64 -0.13 0.00 -0.22 0.00 0.00 54.13 54.45 1xs5 s LEU 36 Cb -0.19 -3.01 -0.04 0.00 0.50 0.00 0.00 46.19 43.45 1xs5 s LEU 36 CO 0.08 -0.56 0.28 -0.60 -1.32 0.00 0.00 176.35 174.24 1xs5 s ARG 37 N 2.83 3.95 -0.34 1.98 3.52 -0.15 -4.95 118.95 125.79 1xs5 s ARG 37 Ca 0.30 -0.16 -0.19 0.00 -0.13 0.00 0.00 55.73 55.55 1xs5 s ARG 37 Cb -0.14 -3.67 -0.00 0.00 -1.56 0.00 0.00 34.95 29.57 1xs5 s ARG 37 CO 0.12 -0.25 0.54 0.42 -0.81 0.00 0.00 175.30 175.32 1xs5 s ILE 38 N 1.91 4.99 -0.25 4.11 1.01 -1.26 -1.03 121.20 130.68 1xs5 s ILE 38 Ca 0.11 0.44 -0.08 0.00 0.00 0.00 0.00 60.65 61.12 1xs5 s ILE 38 Cb -0.16 -3.98 -0.03 0.00 0.01 0.00 0.00 42.46 38.30 1xs5 s ILE 38 CO 0.11 -0.21 0.09 -0.69 0.00 0.00 0.00 174.94 174.23 1xs5 s VAL 39 N 2.46 4.52 -0.20 2.92 1.01 -0.39 -4.96 120.40 125.75 1xs5 s VAL 39 Ca 0.20 -0.10 -0.16 0.00 0.00 0.00 0.00 61.98 61.92 1xs5 s VAL 39 Cb -0.15 -3.11 -0.04 0.00 0.00 0.00 0.00 36.38 33.08 1xs5 s VAL 39 CO 0.13 0.34 0.41 -1.61 0.00 0.00 0.00 175.10 174.37 1xs5 s GLU 40 N 1.48 4.17 0.41 2.72 2.02 -1.26 -0.73 118.70 127.51 1xs5 s GLU 40 Ca 0.06 0.22 0.07 0.00 0.02 0.00 0.00 54.97 55.34 1xs5 s GLU 40 Cb -0.15 -3.54 -0.06 0.00 0.10 0.00 0.00 34.13 30.48 1xs5 s GLU 40 CO 0.05 -0.05 0.14 -0.06 0.02 0.00 0.00 175.26 175.35 1xs5 s PHE 41 N 1.35 2.59 -0.32 1.61 0.40 -0.37 -4.96 117.98 118.28 1xs5 s PHE 41 Ca 0.19 -0.60 0.04 0.00 -0.60 0.00 0.00 56.93 55.97 1xs5 s PHE 41 Cb -0.15 -1.91 -0.02 0.00 0.51 0.00 0.00 43.02 41.46 1xs5 s PHE 41 CO 0.08 0.25 0.33 0.25 0.70 0.00 0.00 175.22 176.83 1xs5 n THR 42 N -1.17 0.00 -3.77 0.64 -2.24 -1.26 -4.54 114.28 101.94 1xs5 n THR 42 Ca -0.02 -0.43 -0.11 0.00 -2.27 0.00 0.00 64.05 61.22 1xs5 n THR 42 Cb 0.65 1.03 -0.07 0.00 -2.10 0.00 0.00 70.33 69.84 1xs5 n THR 42 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1xs5 s ASN 43 N -1.06 -0.08 0.17 3.42 2.20 -1.26 -5.06 114.94 113.27 1xs5 s ASN 43 Ca 0.03 -0.30 -0.15 0.00 -0.94 0.00 0.00 52.86 51.50 1xs5 s ASN 43 Cb 0.03 0.36 0.10 0.00 -2.00 0.00 0.00 41.25 39.74 1xs5 s ASN 43 CO 0.13 -0.65 1.76 1.88 -2.94 0.00 0.00 177.10 177.28 1xs5 h TYR 44 N 3.07 0.32 -0.44 1.54 0.05 -2.01 -2.94 116.97 116.56 1xs5 h TYR 44 Ca -0.32 0.02 -0.07 0.00 0.05 0.00 0.00 58.73 58.41 1xs5 h TYR 44 Cb 1.20 -0.08 -0.02 0.00 1.01 0.00 0.00 36.73 38.85 1xs5 h TYR 44 CO 0.44 0.14 -0.00 0.28 -1.05 0.00 0.00 178.16 177.97 1xs5 h VAL 45 N 0.37 1.26 -0.63 -2.88 2.07 -2.00 -2.90 116.25 111.53 1xs5 h VAL 45 Ca 0.19 -1.04 0.02 0.00 0.82 0.00 0.00 66.70 66.70 1xs5 h VAL 45 Cb 0.15 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.95 1xs5 h VAL 45 CO -0.17 0.36 0.42 0.00 0.02 0.00 0.00 177.57 178.19 1xs5 h ALA 46 N 0.90 1.62 -0.41 1.67 0.00 -1.97 -0.21 119.26 120.86 1xs5 h ALA 46 Ca 0.12 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1xs5 h ALA 46 Cb 0.50 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1xs5 h ALA 46 CO 0.02 0.33 0.02 -0.07 0.00 0.00 0.00 179.25 179.55 1xs5 h LEU 47 N 0.79 0.70 -0.27 0.00 3.38 -1.34 -1.64 115.31 116.92 1xs5 h LEU 47 Ca 0.25 -0.29 -0.21 0.00 0.09 0.00 0.00 57.88 57.71 1xs5 h LEU 47 Cb 0.01 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.58 1xs5 h LEU 47 CO -0.06 0.82 -0.82 0.78 0.09 0.00 0.00 178.44 179.24 1xs5 h ASN 48 N 0.55 0.58 0.17 -0.43 2.35 -1.25 -3.01 115.58 114.54 1xs5 h ASN 48 Ca 0.12 -0.41 -0.07 0.00 -0.55 0.00 0.00 56.30 55.39 1xs5 h ASN 48 Cb 0.45 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.64 1xs5 h ASN 48 CO 0.02 1.18 -0.25 -0.33 -1.65 0.00 0.00 177.43 176.40 1xs5 h GLU 49 N 0.30 0.14 -0.19 0.81 5.08 -1.04 -1.26 114.58 118.43 1xs5 h GLU 49 Ca -0.05 -0.04 -0.15 0.00 -1.00 0.00 0.00 59.36 58.11 1xs5 h GLU 49 Cb 1.43 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.66 1xs5 h GLU 49 CO 0.15 0.39 -0.52 0.00 -1.00 0.00 0.00 179.01 178.02 1xs5 h ALA 50 N 1.62 0.74 -0.35 3.43 0.00 -1.26 -0.22 119.26 123.22 1xs5 h ALA 50 Ca 0.02 -0.50 -0.11 0.00 0.00 0.00 0.00 54.91 54.32 1xs5 h ALA 50 Cb 0.52 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1xs5 h ALA 50 CO 0.04 0.68 -0.23 0.28 0.00 0.00 0.00 179.25 180.02 1xs5 h VAL 51 N 0.41 1.29 -0.93 0.00 2.07 -1.35 -0.55 116.25 117.18 1xs5 h VAL 51 Ca 0.01 -1.37 -0.01 0.00 0.82 0.00 0.00 66.70 66.15 1xs5 h VAL 51 Cb 1.06 1.41 -0.04 0.00 -1.52 0.00 0.00 31.29 32.19 1xs5 h VAL 51 CO 0.10 0.45 0.55 0.24 0.02 0.00 0.00 177.57 178.92 1xs5 h MET 52 N 0.56 1.28 0.00 1.57 2.07 -0.88 -1.97 114.93 117.56 1xs5 h MET 52 Ca 0.07 -0.13 0.00 0.00 -2.07 0.00 0.00 59.70 57.57 1xs5 h MET 52 Cb 0.79 -0.26 0.00 0.00 -1.87 0.00 0.00 31.60 30.26 1xs5 h MET 52 CO 0.06 0.91 0.00 0.00 1.07 0.00 0.00 176.91 178.95 1xs5 h ARG 53 N 1.30 0.00 0.00 1.72 3.08 -1.02 -3.47 114.38 115.98 1xs5 h ARG 53 Ca 0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.38 1xs5 h ARG 53 Cb -0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.02 1xs5 h ARG 53 CO -0.06 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.25 1xs5 n GLY 54 N 0.53 0.78 0.17 0.04 0.00 -0.74 -4.96 105.19 101.00 1xs5 n GLY 54 Ca 0.02 -0.09 0.01 0.00 0.00 0.00 0.00 46.02 45.96 1xs5 n GLY 54 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1xs5 h ASP 55 N 0.00 0.00 -4.31 1.61 3.32 -1.38 -3.44 116.42 112.23 1xs5 h ASP 55 Ca 0.00 -0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.70 1xs5 h ASP 55 Cb 0.00 -0.00 -0.18 0.00 0.22 0.00 0.00 39.33 39.37 1xs5 h ASP 55 CO 0.00 0.47 -0.74 0.27 -1.72 0.00 0.00 179.24 177.52 1xs5 s ILE 56 N -3.96 1.05 0.06 0.35 -4.36 -1.19 -4.86 121.20 108.30 1xs5 s ILE 56 Ca -0.02 -1.62 0.08 0.00 -0.26 0.00 0.00 60.65 58.84 1xs5 s ILE 56 Cb 0.14 -1.36 -0.22 0.00 1.25 0.00 0.00 42.46 42.27 1xs5 s ILE 56 CO 0.74 -0.49 1.07 0.25 0.24 0.00 0.00 174.94 176.75 1xs5 h LEU 57 N 3.64 0.02 -8.18 0.37 5.85 -1.57 -3.40 115.31 112.03 1xs5 h LEU 57 Ca -0.38 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.29 1xs5 h LEU 57 Cb 1.19 -0.01 -0.08 0.00 0.37 0.00 0.00 40.66 42.14 1xs5 h LEU 57 CO 0.51 1.02 -0.02 0.00 -0.34 0.00 0.00 178.44 179.60 1xs5 s MET 58 N -2.67 1.64 0.06 1.25 0.23 -1.07 -4.44 119.30 114.30 1xs5 s MET 58 Ca -0.01 -1.21 -0.03 0.00 -1.03 0.00 0.00 55.69 53.40 1xs5 s MET 58 Cb 0.09 0.51 -0.03 0.00 -1.53 0.00 0.00 34.83 33.87 1xs5 s MET 58 CO 0.82 -0.71 0.04 0.54 -2.03 0.00 0.00 175.02 173.69 1xs5 s ASN 59 N -3.00 0.37 -0.34 -1.18 2.20 -0.51 -0.73 114.94 111.75 1xs5 s ASN 59 Ca 0.20 -0.89 -0.00 0.00 -0.94 0.00 0.00 52.86 51.23 1xs5 s ASN 59 Cb -0.02 0.24 0.14 0.00 -2.00 0.00 0.00 41.25 39.61 1xs5 s ASN 59 CO 0.09 -0.63 0.24 0.12 -2.94 0.00 0.00 177.10 173.97 1xs5 s PHE 60 N -3.86 0.33 0.00 1.54 5.36 0.21 -1.40 117.98 120.16 1xs5 s PHE 60 Ca 0.06 -1.20 0.00 0.00 -0.96 0.00 0.00 56.93 54.83 1xs5 s PHE 60 Cb 0.07 -0.76 0.00 0.00 -0.34 0.00 0.00 43.02 41.98 1xs5 s PHE 60 CO -0.10 -0.87 0.00 1.97 -1.46 0.00 0.00 175.22 174.76 1xs5 n PHE 61 N 4.41 0.00 -4.45 10.12 -1.74 -1.26 -4.48 117.46 120.07 1xs5 n PHE 61 Ca 0.07 0.00 -0.22 0.00 -0.56 0.00 0.00 57.45 56.74 1xs5 n PHE 61 Cb 0.40 0.02 -0.09 0.00 1.52 0.00 0.00 39.48 41.33 1xs5 n PHE 61 CO 0.00 0.00 0.00 1.14 -0.56 0.00 0.00 176.76 177.34 1xs5 s GLN 62 N 0.00 1.75 0.45 3.97 -2.07 -1.26 -5.00 119.66 117.49 1xs5 s GLN 62 Ca 0.00 -2.02 0.07 0.00 -1.82 0.00 0.00 55.36 51.59 1xs5 s GLN 62 Cb 0.00 -0.56 -0.01 0.00 -1.09 0.00 0.00 33.01 31.36 1xs5 s GLN 62 CO 0.00 -0.38 0.40 -3.38 -1.32 0.00 0.00 175.29 170.61 1xs5 s HIS 63 N -3.36 2.46 0.22 9.60 -3.43 -1.26 -0.95 115.29 118.57 1xs5 s HIS 63 Ca 0.31 -0.56 -0.09 0.00 -0.80 0.00 0.00 55.06 53.91 1xs5 s HIS 63 Cb 0.05 -2.13 0.18 0.00 -1.43 0.00 0.00 32.58 29.25 1xs5 s HIS 63 CO 0.15 -0.23 1.87 0.28 -2.00 0.00 0.00 174.74 174.81 1xs5 h VAL 64 N 0.94 1.22 -0.64 -5.38 2.07 -1.84 -2.47 116.25 110.16 1xs5 h VAL 64 Ca -0.40 -0.46 0.03 0.00 0.82 0.00 0.00 66.70 66.69 1xs5 h VAL 64 Cb 1.27 0.05 -0.04 0.00 -1.52 0.00 0.00 31.29 31.06 1xs5 h VAL 64 CO 0.57 0.23 0.42 -0.65 0.02 0.00 0.00 177.57 178.16 1xs5 h PRO 65 N 1.12 0.74 -0.30 1.57 0.11 -1.94 0.14 132.00 133.45 1xs5 h PRO 65 Ca 0.30 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 66.30 1xs5 h PRO 65 Cb -0.07 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 30.86 1xs5 h PRO 65 CO -0.06 0.49 -0.04 1.25 -0.21 0.00 0.00 178.00 179.43 1xs5 h HIS 66 N 0.76 0.63 -0.60 0.65 -0.00 -1.85 -0.96 115.15 113.78 1xs5 h HIS 66 Ca 0.25 -0.13 0.00 0.00 -0.00 0.00 0.00 60.37 60.50 1xs5 h HIS 66 Cb 0.07 -0.16 -0.03 0.00 -0.00 0.00 0.00 27.41 27.29 1xs5 h HIS 66 CO -0.00 0.73 0.39 1.98 -0.00 0.00 0.00 177.93 181.03 1xs5 h MET 67 N 0.35 0.80 -0.56 5.26 -1.53 -0.98 -1.00 114.93 117.28 1xs5 h MET 67 Ca 0.08 -0.06 -0.02 0.00 -3.44 0.00 0.00 59.70 56.27 1xs5 h MET 67 Cb 0.51 -0.18 -0.03 0.00 -0.55 0.00 0.00 31.60 31.36 1xs5 h MET 67 CO 0.02 0.55 0.28 1.96 0.14 0.00 0.00 176.91 179.87 1xs5 h GLN 68 N 0.82 0.79 -0.40 0.39 4.20 -0.60 0.71 115.11 121.02 1xs5 h GLN 68 Ca 0.22 -0.11 0.03 0.00 0.06 0.00 0.00 58.65 58.85 1xs5 h GLN 68 Cb -0.07 -0.15 -0.04 0.00 0.30 0.00 0.00 27.48 27.53 1xs5 h GLN 68 CO -0.04 0.63 0.19 0.37 -0.67 0.00 0.00 178.83 179.31 1xs5 h GLN 69 N 0.75 0.37 -0.37 1.46 -0.00 -0.79 -1.30 115.11 115.23 1xs5 h GLN 69 Ca 0.19 -0.02 -0.00 0.00 -0.00 0.00 0.00 58.65 58.82 1xs5 h GLN 69 Cb 0.09 -0.08 -0.02 0.00 0.00 0.00 0.00 27.48 27.47 1xs5 h GLN 69 CO -0.03 0.25 0.22 0.35 0.00 0.00 0.00 178.83 179.62 1xs5 h PHE 70 N 0.39 0.50 -0.73 3.99 3.57 -0.58 -0.77 116.94 123.31 1xs5 h PHE 70 Ca 0.17 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.75 1xs5 h PHE 70 Cb 0.09 -0.16 -0.07 0.00 2.79 0.00 0.00 35.95 38.60 1xs5 h PHE 70 CO -0.11 0.37 0.39 -0.91 -2.23 0.00 0.00 178.31 175.82 1xs5 h ASN 71 N 0.49 0.54 -0.24 0.41 2.35 -0.46 0.11 115.58 118.78 1xs5 h ASN 71 Ca 0.13 0.05 -0.07 0.00 -0.55 0.00 0.00 56.30 55.86 1xs5 h ASN 71 Cb 0.02 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 1xs5 h ASN 71 CO -0.02 0.32 -0.11 1.56 -1.65 0.00 0.00 177.43 177.53 1xs5 h GLN 72 N 0.68 0.50 0.03 0.81 4.20 -0.91 -1.18 115.11 119.24 1xs5 h GLN 72 Ca 0.35 -0.22 -0.22 0.00 0.06 0.00 0.00 58.65 58.62 1xs5 h GLN 72 Cb 0.32 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 1xs5 h GLN 72 CO -0.24 0.77 -0.99 1.49 -0.67 0.00 0.00 178.83 179.19 1xs5 h GLU 73 N 0.23 0.19 -0.20 1.46 4.81 -0.95 -3.34 114.58 116.77 1xs5 h GLU 73 Ca 0.05 -0.25 -0.02 0.00 -0.13 0.00 0.00 59.36 59.02 1xs5 h GLU 73 Cb 0.61 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.06 1xs5 h GLU 73 CO 0.03 1.03 -0.01 0.72 -0.73 0.00 0.00 179.01 180.05 1xs5 n HIS 74 N -3.58 0.71 -3.88 0.92 8.25 0.35 -4.97 115.22 113.02 1xs5 n HIS 74 Ca -0.04 -0.98 -0.27 0.00 -0.26 0.00 0.00 57.72 56.17 1xs5 n HIS 74 Cb 0.88 -0.29 0.01 0.00 1.12 0.00 0.00 29.99 31.72 1xs5 n HIS 74 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1xs5 n ASN 75 N -0.81 -2.57 -4.93 0.41 4.13 -0.83 -4.94 115.26 105.72 1xs5 n ASN 75 Ca 0.21 -0.86 -0.25 0.00 1.68 0.00 0.00 54.58 55.36 1xs5 n ASN 75 Cb 0.84 -3.67 0.03 0.00 -1.54 0.00 0.00 39.78 35.44 1xs5 n ASN 75 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 1xs5 s GLY 76 N -3.87 1.60 -0.24 7.41 0.00 -0.51 -5.03 107.32 106.69 1xs5 s GLY 76 Ca 0.32 -0.84 0.15 0.00 0.00 0.00 0.00 44.72 44.35 1xs5 s GLY 76 CO 0.85 -0.60 1.16 1.34 0.00 0.00 0.00 173.10 175.85 1xs5 n ASP 77 N -2.41 3.02 -4.83 1.64 2.03 -1.26 -4.69 116.55 110.05 1xs5 n ASP 77 Ca 0.04 -2.99 -0.33 0.00 0.52 0.00 0.00 54.79 52.02 1xs5 n ASP 77 Cb 0.58 -0.41 -0.07 0.00 -0.72 0.00 0.00 41.12 40.50 1xs5 n ASP 77 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1xs5 s LEU 78 N -3.31 3.99 0.02 -2.67 1.43 -1.26 -0.37 118.68 116.51 1xs5 s LEU 78 Ca 0.39 1.59 -0.01 0.00 -1.03 0.00 0.00 54.13 55.07 1xs5 s LEU 78 Cb 0.37 -4.39 -0.02 0.00 0.03 0.00 0.00 46.19 42.19 1xs5 s LEU 78 CO -0.02 -0.30 -0.01 0.68 0.23 0.00 0.00 176.35 176.93 1xs5 s VAL 79 N -2.10 0.11 0.10 -1.59 -7.23 -0.31 -4.81 120.40 104.58 1xs5 s VAL 79 Ca 0.59 -0.91 -0.23 0.00 -1.81 0.00 0.00 61.98 59.62 1xs5 s VAL 79 Cb -0.10 -0.32 -0.07 0.00 0.56 0.00 0.00 36.38 36.46 1xs5 s VAL 79 CO 0.15 -0.50 0.69 -0.55 -0.31 0.00 0.00 175.10 174.58 1xs5 s SER 80 N -1.50 7.22 0.00 4.85 0.15 -1.26 -1.64 113.70 121.52 1xs5 s SER 80 Ca -0.15 1.45 0.18 0.00 0.70 0.00 0.00 55.95 58.13 1xs5 s SER 80 Cb -0.09 -2.44 0.10 0.00 -1.71 0.00 0.00 66.02 61.88 1xs5 s SER 80 CO -0.01 0.19 1.04 1.33 1.20 0.00 0.00 173.24 176.98 1xs5 n VAL 81 N 1.96 0.00 0.00 4.45 0.24 -0.42 -4.97 118.33 119.59 1xs5 n VAL 81 Ca -0.07 -0.44 0.00 0.00 -2.04 0.00 0.00 64.34 61.79 1xs5 n VAL 81 Cb 0.50 1.33 0.00 0.00 -1.47 0.00 0.00 33.84 34.20 1xs5 n VAL 81 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xs5 n GLY 82 N 1.11 3.16 3.74 7.63 0.00 -1.26 -4.98 105.19 114.60 1xs5 n GLY 82 Ca 0.10 -0.36 -0.40 0.00 0.00 0.00 0.00 46.02 45.36 1xs5 n GLY 82 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1xs5 s ASN 83 N 0.00 7.56 -0.08 1.61 0.01 -1.26 -2.32 114.94 120.45 1xs5 s ASN 83 Ca 0.00 1.93 -0.05 0.00 -0.71 0.00 0.00 52.86 54.03 1xs5 s ASN 83 Cb 0.00 -2.60 -0.04 0.00 0.41 0.00 0.00 41.25 39.02 1xs5 s ASN 83 CO 0.00 0.05 -0.12 0.52 -1.51 0.00 0.00 177.10 176.04 1xs5 n VAL 84 N 1.93 0.56 -3.87 1.60 0.31 -0.18 -4.80 118.33 113.88 1xs5 n VAL 84 Ca -0.00 -0.09 -0.09 0.00 -0.01 0.00 0.00 64.34 64.15 1xs5 n VAL 84 Cb 0.47 -1.64 -0.04 0.00 -0.91 0.00 0.00 33.84 31.73 1xs5 n VAL 84 CO 0.00 0.00 0.00 -1.38 -1.32 0.00 0.00 176.83 174.13 1xs5 s HIS 85 N -2.17 0.04 -0.02 3.52 -3.43 -1.20 -1.71 115.29 110.32 1xs5 s HIS 85 Ca -0.12 -0.43 0.08 0.00 -0.80 0.00 0.00 55.06 53.79 1xs5 s HIS 85 Cb 0.05 0.41 -0.02 0.00 -1.43 0.00 0.00 32.58 31.58 1xs5 s HIS 85 CO 0.16 -1.04 -0.26 0.14 -2.00 0.00 0.00 174.74 171.74 1xs5 s VAL 86 N -3.94 2.03 -0.36 -5.38 -7.23 0.16 -0.23 120.40 105.43 1xs5 s VAL 86 Ca 0.15 -1.09 0.01 0.00 -1.81 0.00 0.00 61.98 59.24 1xs5 s VAL 86 Cb -0.02 -1.68 0.11 0.00 0.56 0.00 0.00 36.38 35.34 1xs5 s VAL 86 CO 0.05 0.57 0.14 -1.61 -0.31 0.00 0.00 175.10 173.93 1xs5 s GLU 87 N -0.58 1.12 0.27 4.82 2.02 -1.26 -1.61 118.70 123.48 1xs5 s GLU 87 Ca 0.09 -1.60 -0.31 0.00 0.02 0.00 0.00 54.97 53.17 1xs5 s GLU 87 Cb -0.10 -2.43 -0.12 0.00 0.10 0.00 0.00 34.13 31.57 1xs5 s GLU 87 CO -0.01 -1.03 1.49 -2.30 0.02 0.00 0.00 175.26 173.43 1xs5 n PRO 88 N 4.25 2.36 -3.04 0.39 -0.02 -1.24 -4.47 135.00 133.22 1xs5 n PRO 88 Ca 0.03 0.84 -0.39 0.00 -2.02 0.00 0.00 63.50 61.95 1xs5 n PRO 88 Cb 0.39 -2.55 -0.06 0.00 -0.02 0.00 0.00 33.50 31.26 1xs5 n PRO 88 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1xs5 s LEU 89 N -0.22 4.51 0.05 2.45 2.96 -1.26 -4.17 118.68 123.01 1xs5 s LEU 89 Ca 0.66 1.47 -0.01 0.00 -0.22 0.00 0.00 54.13 56.03 1xs5 s LEU 89 Cb -0.57 -3.18 -0.04 0.00 0.50 0.00 0.00 46.19 42.90 1xs5 s LEU 89 CO 0.50 0.13 -0.03 0.00 -1.32 0.00 0.00 176.35 175.63 1xs5 s ALA 90 N -0.63 0.46 -0.14 5.97 0.00 -1.25 -1.43 121.76 124.75 1xs5 s ALA 90 Ca 0.35 -1.12 -0.18 0.00 0.00 0.00 0.00 51.96 51.02 1xs5 s ALA 90 Cb -0.21 0.25 -0.04 0.00 0.00 0.00 0.00 23.12 23.12 1xs5 s ALA 90 CO 0.23 -0.34 0.45 -1.17 0.00 0.00 0.00 175.76 174.94 1xs5 s LEU 91 N -2.71 4.25 0.28 0.00 2.96 -0.20 -1.87 118.68 121.40 1xs5 s LEU 91 Ca 0.04 0.74 0.11 0.00 -0.22 0.00 0.00 54.13 54.80 1xs5 s LEU 91 Cb 0.05 -2.65 -0.05 0.00 0.50 0.00 0.00 46.19 44.05 1xs5 s LEU 91 CO -0.09 -0.01 -0.17 -0.31 -1.32 0.00 0.00 176.35 174.45 1xs5 s TYR 92 N 0.75 2.22 -0.04 5.38 2.02 0.63 -0.83 117.35 127.49 1xs5 s TYR 92 Ca 0.24 -0.41 -0.05 0.00 -0.37 0.00 0.00 57.07 56.49 1xs5 s TYR 92 Cb -0.15 -1.04 0.01 0.00 -0.40 0.00 0.00 41.96 40.38 1xs5 s TYR 92 CO 0.09 0.63 0.13 0.45 -1.57 0.00 0.00 175.55 175.28 1xs5 s SER 93 N -3.50 -0.10 0.49 2.29 0.15 -1.26 -0.99 113.70 110.78 1xs5 s SER 93 Ca 0.29 0.17 0.28 0.00 0.70 0.00 0.00 55.95 57.40 1xs5 s SER 93 Cb -0.03 0.25 1.06 0.00 -1.71 0.00 0.00 66.02 65.59 1xs5 s SER 93 CO 0.14 -0.10 1.87 0.08 1.20 0.00 0.00 173.24 176.43 1xs5 h ARG 94 N 5.64 0.00 0.00 5.44 0.11 -1.80 -3.40 114.38 120.37 1xs5 h ARG 94 Ca -0.26 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.82 1xs5 h ARG 94 Cb 1.20 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.28 1xs5 h ARG 94 CO 0.42 0.09 -0.17 -2.37 0.10 0.00 0.00 179.97 178.04 1xs5 n THR 95 N -3.21 0.00 -2.15 0.08 5.66 -1.26 -5.09 114.28 108.32 1xs5 n THR 95 Ca 0.01 0.00 -0.40 0.00 -3.05 0.00 0.00 64.05 60.61 1xs5 n THR 95 Cb 0.39 -0.23 -0.02 0.00 -1.55 0.00 0.00 70.33 68.92 1xs5 n THR 95 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 175.07 171.71 1xs5 s TYR 96 N -1.38 2.99 -1.39 1.09 2.02 -1.26 -4.94 117.35 114.49 1xs5 s TYR 96 Ca 0.00 1.46 0.11 0.00 -0.37 0.00 0.00 57.07 58.27 1xs5 s TYR 96 Cb 0.00 -3.60 0.11 0.00 -0.40 0.00 0.00 41.96 38.07 1xs5 s TYR 96 CO 0.00 -1.77 0.90 0.54 -1.57 0.00 0.00 175.55 173.64 1xs5 n ARG 97 N 0.42 0.78 -3.75 -0.62 1.74 -1.26 -4.58 116.66 109.40 1xs5 n ARG 97 Ca 0.02 -1.26 -0.13 0.00 -0.77 0.00 0.00 57.85 55.72 1xs5 n ARG 97 Cb 0.44 -1.22 -0.11 0.00 -1.02 0.00 0.00 32.46 30.55 1xs5 n ARG 97 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1xs5 s HIS 98 N -0.96 -0.40 0.48 -1.55 2.46 -1.26 -4.98 115.29 109.09 1xs5 s HIS 98 Ca 0.14 0.97 0.23 0.00 0.47 0.00 0.00 55.06 56.88 1xs5 s HIS 98 Cb 0.10 0.14 1.28 0.00 -0.13 0.00 0.00 32.58 33.96 1xs5 s HIS 98 CO 0.14 -0.20 1.91 -0.24 -2.47 0.00 0.00 174.74 173.89 1xs5 h VAL 99 N 4.69 0.68 -0.00 0.89 3.04 -1.94 0.15 116.25 123.75 1xs5 h VAL 99 Ca -0.28 -0.06 0.00 0.00 -1.01 0.00 0.00 66.70 65.35 1xs5 h VAL 99 Cb 1.18 0.48 0.00 0.00 -2.01 0.00 0.00 31.29 30.94 1xs5 h VAL 99 CO 0.29 0.03 -0.04 -1.54 -1.01 0.00 0.00 177.57 175.30 1xs5 n SER 100 N -4.40 0.13 0.20 3.17 3.41 -1.26 -3.28 113.62 111.59 1xs5 n SER 100 Ca 0.16 -0.24 0.08 0.00 -0.26 0.00 0.00 58.87 58.60 1xs5 n SER 100 Cb 0.72 -0.22 0.38 0.00 -0.26 0.00 0.00 64.21 64.83 1xs5 n SER 100 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1xs5 h ASP 101 N 0.14 0.00 -2.37 4.04 3.32 -1.12 -3.45 116.42 116.98 1xs5 h ASP 101 Ca 0.00 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.51 1xs5 h ASP 101 Cb 0.31 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.87 1xs5 h ASP 101 CO 0.00 0.30 1.25 -0.36 -1.72 0.00 0.00 179.24 178.71 1xs5 s PHE 102 N -3.59 1.41 0.75 4.55 0.40 -1.21 -4.98 117.98 115.31 1xs5 s PHE 102 Ca 0.01 -0.16 -0.11 0.00 -0.60 0.00 0.00 56.93 56.06 1xs5 s PHE 102 Cb 0.10 -4.14 0.04 0.00 0.51 0.00 0.00 43.02 39.54 1xs5 s PHE 102 CO 0.66 -4.95 1.08 -1.25 0.70 0.00 0.00 175.22 171.46 1xs5 s PRO 103 N 4.70 2.49 0.64 0.24 0.04 -1.26 -4.94 135.00 136.90 1xs5 s PRO 103 Ca 0.87 0.84 -0.18 0.00 0.04 0.00 0.00 61.00 62.57 1xs5 s PRO 103 Cb -0.39 -1.95 -0.02 0.00 0.04 0.00 0.00 34.50 32.19 1xs5 s PRO 103 CO 0.38 -1.39 1.25 0.00 0.04 0.00 0.00 177.00 177.29 1xs5 n ALA 104 N -3.31 1.05 -0.21 8.56 0.00 -1.26 -1.68 120.51 123.66 1xs5 n ALA 104 Ca 0.07 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1xs5 n ALA 104 Cb 0.55 -2.30 0.00 0.00 0.00 0.00 0.00 19.45 17.70 1xs5 n ALA 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xs5 n GLY 105 N 0.97 2.47 3.57 0.00 0.00 0.98 -5.00 105.19 108.17 1xs5 n GLY 105 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1xs5 n GLY 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xs5 n ALA 106 N 0.25 -0.34 -2.60 4.61 0.00 -0.68 -4.36 120.51 117.39 1xs5 n ALA 106 Ca 0.00 0.23 -0.38 0.00 0.00 0.00 0.00 53.44 53.29 1xs5 n ALA 106 Cb 0.00 -1.99 -0.10 0.00 0.00 0.00 0.00 19.45 17.36 1xs5 n ALA 106 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1xs5 s VAL 107 N -1.29 5.28 -0.17 0.00 1.01 -1.26 -0.82 120.40 123.14 1xs5 s VAL 107 Ca 0.63 0.28 0.01 0.00 0.00 0.00 0.00 61.98 62.89 1xs5 s VAL 107 Cb -0.59 -3.57 0.01 0.00 0.00 0.00 0.00 36.38 32.22 1xs5 s VAL 107 CO 0.57 0.23 -0.17 -0.63 0.00 0.00 0.00 175.10 175.10 1xs5 s ILE 108 N 1.82 2.35 0.04 2.22 1.01 0.59 -1.63 121.20 127.60 1xs5 s ILE 108 Ca 0.09 -0.86 -0.18 0.00 0.00 0.00 0.00 60.65 59.71 1xs5 s ILE 108 Cb -0.16 -1.99 -0.06 0.00 0.01 0.00 0.00 42.46 40.26 1xs5 s ILE 108 CO 0.11 0.52 0.51 0.00 0.00 0.00 0.00 174.94 176.08 1xs5 s ALA 109 N 1.13 3.62 0.20 9.38 0.00 -0.72 -0.66 121.76 134.71 1xs5 s ALA 109 Ca 0.01 -0.06 0.01 0.00 0.00 0.00 0.00 51.96 51.92 1xs5 s ALA 109 Cb -0.14 -2.55 -0.05 0.00 0.00 0.00 0.00 23.12 20.39 1xs5 s ALA 109 CO -0.07 0.41 0.05 0.96 0.00 0.00 0.00 175.76 177.11 1xs5 s ILE 110 N -1.03 0.52 0.64 0.00 -4.36 0.26 -1.21 121.20 116.03 1xs5 s ILE 110 Ca 0.27 -1.98 -0.18 0.00 -0.26 0.00 0.00 60.65 58.50 1xs5 s ILE 110 Cb -0.18 -2.32 -0.01 0.00 1.25 0.00 0.00 42.46 41.19 1xs5 s ILE 110 CO 0.17 -0.27 1.28 -2.84 0.24 0.00 0.00 174.94 173.51 1xs5 s PRO 111 N -3.99 2.62 0.00 0.37 0.02 -1.26 -0.53 135.00 132.23 1xs5 s PRO 111 Ca 0.30 2.02 0.16 0.00 0.02 0.00 0.00 61.00 63.50 1xs5 s PRO 111 Cb 0.07 -1.86 0.31 0.00 0.02 0.00 0.00 34.50 33.04 1xs5 s PRO 111 CO 0.08 -1.53 1.22 0.27 -0.33 0.00 0.00 177.00 176.71 1xs5 n ASN 112 N -1.86 2.94 -4.75 2.53 6.94 -0.60 -4.13 115.26 116.32 1xs5 n ASN 112 Ca 0.15 -1.86 -0.37 0.00 -0.02 0.00 0.00 54.58 52.48 1xs5 n ASN 112 Cb 0.48 -0.19 -0.06 0.00 -2.36 0.00 0.00 39.78 37.65 1xs5 n ASN 112 CO 0.00 0.00 0.00 1.51 -1.03 0.00 0.00 177.26 177.74 1xs5 s ASP 113 N -1.18 6.58 0.28 0.53 -4.77 -1.26 -4.93 116.67 111.92 1xs5 s ASP 113 Ca 0.28 0.68 0.02 0.00 -3.30 0.00 0.00 52.55 50.23 1xs5 s ASP 113 Cb 0.16 -2.23 0.66 0.00 -1.09 0.00 0.00 42.92 40.43 1xs5 s ASP 113 CO 0.22 0.11 1.71 0.77 0.70 0.00 0.00 175.17 178.68 1xs5 h SER 114 N 6.34 0.36 0.00 2.11 4.64 -1.90 0.51 113.55 125.61 1xs5 h SER 114 Ca -0.43 0.14 -0.10 0.00 -0.47 0.00 0.00 61.79 60.93 1xs5 h SER 114 Cb 1.18 0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 63.36 1xs5 h SER 114 CO 0.73 0.05 -0.30 0.77 -0.87 0.00 0.00 176.83 177.21 1xs5 h SER 115 N 0.45 0.45 1.41 4.97 4.64 -1.86 -1.39 113.55 122.22 1xs5 h SER 115 Ca 0.52 -0.16 -0.05 0.00 -0.47 0.00 0.00 61.79 61.63 1xs5 h SER 115 Cb 0.93 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.89 1xs5 h SER 115 CO -0.48 0.74 -0.60 0.78 -0.87 0.00 0.00 176.83 176.39 1xs5 h ASN 116 N 0.39 0.00 -0.15 4.97 2.35 -1.67 -2.73 115.58 118.74 1xs5 h ASN 116 Ca 0.05 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.75 1xs5 h ASN 116 Cb 0.72 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.09 1xs5 h ASN 116 CO 0.06 0.21 -0.09 -0.08 -1.65 0.00 0.00 177.43 175.88 1xs5 h GLU 117 N 0.00 0.32 -0.56 0.81 4.81 -0.72 -1.07 114.58 118.17 1xs5 h GLU 117 Ca -0.03 -0.15 0.01 0.00 -0.13 0.00 0.00 59.36 59.07 1xs5 h GLU 117 Cb 1.18 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.53 1xs5 h GLU 117 CO 0.02 0.66 0.37 0.00 -0.73 0.00 0.00 179.01 179.33 1xs5 h ALA 118 N 0.65 0.72 -0.62 2.92 0.00 -1.00 -0.05 119.26 121.88 1xs5 h ALA 118 Ca 0.03 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.95 1xs5 h ALA 118 Cb 0.57 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 1xs5 h ALA 118 CO 0.02 0.13 0.36 -0.09 0.00 0.00 0.00 179.25 179.67 1xs5 h ARG 119 N 0.75 0.66 -0.43 0.00 2.43 -1.42 -0.83 114.38 115.53 1xs5 h ARG 119 Ca 0.21 -0.04 -0.13 0.00 -0.81 0.00 0.00 59.98 59.21 1xs5 h ARG 119 Cb -0.07 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.32 1xs5 h ARG 119 CO -0.06 0.44 -0.25 0.00 -1.51 0.00 0.00 179.97 178.59 1xs5 h ALA 120 N 1.30 0.75 -0.62 2.80 0.00 -0.84 -2.01 119.26 120.64 1xs5 h ALA 120 Ca 0.27 -0.40 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 1xs5 h ALA 120 Cb 0.11 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1xs5 h ALA 120 CO -0.14 0.66 0.16 -0.07 0.00 0.00 0.00 179.25 179.86 1xs5 h LEU 121 N 0.77 0.91 -1.00 0.00 3.38 -0.60 -1.50 115.31 117.27 1xs5 h LEU 121 Ca 0.10 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 1xs5 h LEU 121 Cb 0.80 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 1xs5 h LEU 121 CO 0.07 0.88 -0.29 0.03 0.09 0.00 0.00 178.44 179.22 1xs5 h ARG 122 N 0.93 0.00 -0.05 1.13 3.08 -1.00 0.80 114.38 119.27 1xs5 h ARG 122 Ca 0.20 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.24 1xs5 h ARG 122 Cb 0.32 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.37 1xs5 h ARG 122 CO -0.00 0.29 -0.03 1.25 -1.07 0.00 0.00 179.97 180.41 1xs5 h LEU 123 N 0.00 0.10 -1.13 3.04 6.46 -0.82 -1.67 115.31 121.29 1xs5 h LEU 123 Ca -0.00 -0.44 -0.05 0.00 -0.12 0.00 0.00 57.88 57.26 1xs5 h LEU 123 Cb 0.82 -0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.71 1xs5 h LEU 123 CO 0.04 0.52 0.02 -0.07 -0.62 0.00 0.00 178.44 178.33 1xs5 h LEU 124 N -0.31 0.60 -0.23 2.25 3.38 -1.05 -1.72 115.31 118.23 1xs5 h LEU 124 Ca 0.01 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 1xs5 h LEU 124 Cb 0.48 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1xs5 h LEU 124 CO 0.01 0.65 0.09 -0.08 0.09 0.00 0.00 178.44 179.20 1xs5 h GLU 125 N 0.61 0.34 -0.46 1.13 4.81 -0.80 -1.52 114.58 118.69 1xs5 h GLU 125 Ca 0.13 -0.06 0.05 0.00 -0.13 0.00 0.00 59.36 59.35 1xs5 h GLU 125 Cb 0.35 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.65 1xs5 h GLU 125 CO 0.01 0.39 0.31 0.00 -0.73 0.00 0.00 179.01 178.99 1xs5 h ALA 126 N 0.93 1.89 -0.02 2.92 0.00 -0.93 -0.15 119.26 123.90 1xs5 h ALA 126 Ca 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1xs5 h ALA 126 Cb 0.18 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1xs5 h ALA 126 CO -0.01 0.03 0.00 0.00 0.00 0.00 0.00 179.25 179.28 1xs5 n ALA 127 N -2.50 2.63 -0.64 0.00 0.00 -0.68 -4.93 120.51 114.39 1xs5 n ALA 127 Ca 0.06 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.22 1xs5 n ALA 127 Cb 0.22 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.31 1xs5 n ALA 127 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xs5 n GLY 128 N 1.01 0.68 0.09 0.00 0.00 -0.07 -4.97 105.19 101.93 1xs5 n GLY 128 Ca 0.20 -0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.09 1xs5 n GLY 128 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1xs5 h PHE 129 N 0.00 0.32 -3.83 1.61 0.04 -1.47 -3.41 116.94 110.20 1xs5 h PHE 129 Ca 0.00 -0.23 -0.11 0.00 2.80 0.00 0.00 57.97 60.43 1xs5 h PHE 129 Cb 0.00 -0.01 -0.10 0.00 2.20 0.00 0.00 35.95 38.04 1xs5 h PHE 129 CO 0.00 1.19 -0.19 0.96 -0.60 0.00 0.00 178.31 179.66 1xs5 s ILE 130 N -2.67 0.00 -0.07 -0.55 -4.36 -1.25 -1.48 121.20 110.81 1xs5 s ILE 130 Ca -0.03 -1.51 0.02 0.00 -0.26 0.00 0.00 60.65 58.87 1xs5 s ILE 130 Cb 0.08 -2.31 0.02 0.00 1.25 0.00 0.00 42.46 41.49 1xs5 s ILE 130 CO 0.86 0.00 -0.11 -0.60 0.24 0.00 0.00 174.94 175.33 1xs5 s ARG 131 N -3.89 1.59 0.18 0.37 3.52 -0.11 -4.29 118.95 116.32 1xs5 s ARG 131 Ca 0.26 -0.36 -0.14 0.00 -0.13 0.00 0.00 55.73 55.36 1xs5 s ARG 131 Cb 0.00 -1.39 -0.07 0.00 -1.56 0.00 0.00 34.95 31.93 1xs5 s ARG 131 CO 0.11 -0.04 0.58 -1.64 -0.81 0.00 0.00 175.30 173.50 1xs5 s MET 132 N 0.89 3.99 0.63 5.12 -1.94 -1.26 0.52 119.30 127.25 1xs5 s MET 132 Ca -0.11 0.52 -0.18 0.00 -1.71 0.00 0.00 55.69 54.21 1xs5 s MET 132 Cb -0.15 -2.85 -0.02 0.00 2.01 0.00 0.00 34.83 33.81 1xs5 s MET 132 CO 0.01 0.43 1.23 -2.13 -0.01 0.00 0.00 175.02 174.55 1xs5 n ARG 133 N 0.59 1.11 -0.15 2.03 0.63 0.18 -4.66 116.66 116.38 1xs5 n ARG 133 Ca -0.04 0.43 -0.08 0.00 -0.92 0.00 0.00 57.85 57.25 1xs5 n ARG 133 Cb 0.52 -2.47 0.01 0.00 0.45 0.00 0.00 32.46 30.97 1xs5 n ARG 133 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1xs5 h ALA 134 N 0.57 0.58 -0.73 5.13 0.00 -1.97 -3.08 119.26 119.76 1xs5 h ALA 134 Ca -0.50 -0.08 -0.41 0.00 0.00 0.00 0.00 54.91 53.92 1xs5 h ALA 134 Cb 1.34 -0.18 -0.22 0.00 0.00 0.00 0.00 17.79 18.73 1xs5 h ALA 134 CO 0.53 0.09 0.52 0.41 0.00 0.00 0.00 179.25 180.80 1xs5 n GLY 135 N -1.05 4.07 0.24 0.00 0.00 -1.26 -4.67 105.19 102.53 1xs5 n GLY 135 Ca 0.01 -0.99 -0.01 0.00 0.00 0.00 0.00 46.02 45.03 1xs5 n GLY 135 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1xs5 h SER 136 N 0.94 0.45 -4.18 1.61 0.02 -1.92 -3.49 113.55 106.97 1xs5 h SER 136 Ca 0.47 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.46 1xs5 h SER 136 Cb 2.07 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 64.57 1xs5 h SER 136 CO 0.89 0.28 0.00 0.61 -1.14 0.00 0.00 176.83 177.47 1xs5 n GLY 137 N -1.28 -2.64 0.26 -3.77 0.00 -1.26 -3.89 105.19 92.61 1xs5 n GLY 137 Ca 0.08 -1.64 0.14 0.00 0.00 0.00 0.00 46.02 44.60 1xs5 n GLY 137 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1xs5 h LEU 138 N 0.00 0.00 -3.39 0.99 5.85 -1.98 -3.12 115.31 113.65 1xs5 h LEU 138 Ca 0.00 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.54 1xs5 h LEU 138 Cb 0.00 0.00 -0.11 0.00 0.37 0.00 0.00 40.66 40.92 1xs5 h LEU 138 CO 0.00 0.11 0.00 0.49 -0.34 0.00 0.00 178.44 178.70 1xs5 n PHE 139 N -3.40 1.24 -1.64 1.25 3.72 -1.26 -4.53 117.46 112.85 1xs5 n PHE 139 Ca -0.01 -1.49 -0.39 0.00 -0.05 0.00 0.00 57.45 55.51 1xs5 n PHE 139 Cb 0.29 -0.50 0.03 0.00 -0.94 0.00 0.00 39.48 38.36 1xs5 n PHE 139 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1xs5 n ALA 140 N -1.01 0.52 -4.06 4.37 0.00 -1.18 -4.78 120.51 114.37 1xs5 n ALA 140 Ca 0.33 0.13 -0.14 0.00 0.00 0.00 0.00 53.44 53.77 1xs5 n ALA 140 Cb 1.07 -2.15 -0.03 0.00 0.00 0.00 0.00 19.45 18.33 1xs5 n ALA 140 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1xs5 n THR 141 N -1.00 0.00 0.22 0.00 -2.24 -1.26 -2.60 114.28 107.40 1xs5 n THR 141 Ca 0.11 -1.14 0.16 0.00 -2.27 0.00 0.00 64.05 60.91 1xs5 n THR 141 Cb 0.43 0.36 0.83 0.00 -2.10 0.00 0.00 70.33 69.85 1xs5 n THR 141 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 1xs5 h VAL 142 N 1.27 0.53 0.00 2.28 -1.51 -1.96 0.41 116.25 117.27 1xs5 h VAL 142 Ca -0.17 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.30 1xs5 h VAL 142 Cb 0.59 0.87 0.00 0.00 -2.13 0.00 0.00 31.29 30.62 1xs5 h VAL 142 CO 0.27 0.00 0.00 1.05 -1.23 0.00 0.00 177.57 177.66 1xs5 h GLU 143 N 0.00 0.00 -0.11 5.19 4.11 -2.01 -2.32 114.58 119.43 1xs5 h GLU 143 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.50 1xs5 h GLU 143 Cb 0.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1xs5 h GLU 143 CO -0.00 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 178.83 1xs5 n ASP 144 N -3.01 1.35 -4.64 3.06 8.00 0.13 -4.87 116.55 116.57 1xs5 n ASP 144 Ca -0.00 -1.61 -0.43 0.00 0.71 0.00 0.00 54.79 53.46 1xs5 n ASP 144 Cb 0.23 -0.07 -0.02 0.00 -0.02 0.00 0.00 41.12 41.24 1xs5 n ASP 144 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1xs5 s VAL 145 N -1.86 4.16 -0.11 2.53 1.01 -0.88 -0.65 120.40 124.61 1xs5 s VAL 145 Ca 0.33 1.34 0.15 0.00 0.00 0.00 0.00 61.98 63.81 1xs5 s VAL 145 Cb 0.17 -4.06 -0.10 0.00 0.00 0.00 0.00 36.38 32.39 1xs5 s VAL 145 CO 0.27 -0.34 1.00 -0.61 0.00 0.00 0.00 175.10 175.42 1xs5 h GLN 146 N 9.00 0.00 -2.95 2.72 4.15 -0.20 -3.46 115.11 124.38 1xs5 h GLN 146 Ca -0.27 0.00 -0.14 0.00 0.77 0.00 0.00 58.65 59.01 1xs5 h GLN 146 Cb 1.10 0.00 -0.24 0.00 0.21 0.00 0.00 27.48 28.55 1xs5 h GLN 146 CO 1.01 0.40 -0.32 -1.14 -1.93 0.00 0.00 178.83 176.85 1xs5 s GLN 147 N -2.90 0.43 -0.65 1.69 0.74 -0.72 -4.97 119.66 113.28 1xs5 s GLN 147 Ca -0.01 0.36 0.01 0.00 0.05 0.00 0.00 55.36 55.77 1xs5 s GLN 147 Cb 0.08 0.21 0.16 0.00 1.10 0.00 0.00 33.01 34.56 1xs5 s GLN 147 CO 0.80 -0.07 0.45 1.21 -0.55 0.00 0.00 175.29 177.13 1xs5 s ASN 148 N -0.06 4.97 0.18 6.67 3.84 -1.26 -0.93 114.94 128.34 1xs5 s ASN 148 Ca -0.02 -3.27 -0.12 0.00 0.21 0.00 0.00 52.86 49.66 1xs5 s ASN 148 Cb -0.03 -1.75 0.08 0.00 -0.55 0.00 0.00 41.25 39.00 1xs5 s ASN 148 CO 0.01 -0.23 1.76 0.58 -2.79 0.00 0.00 177.10 176.43 1xs5 h VAL 149 N 4.96 1.21 -0.65 -5.21 2.07 -1.55 -3.04 116.25 114.03 1xs5 h VAL 149 Ca 0.03 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 66.95 1xs5 h VAL 149 Cb 0.87 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 1xs5 h VAL 149 CO 0.73 0.24 0.00 0.54 0.02 0.00 0.00 177.57 179.10 1xs5 n ARG 150 N -4.52 2.51 -3.53 1.57 5.12 -0.96 -4.98 116.66 111.87 1xs5 n ARG 150 Ca 0.04 -2.34 -0.22 0.00 -1.93 0.00 0.00 57.85 53.39 1xs5 n ARG 150 Cb 0.12 -1.51 0.03 0.00 -1.16 0.00 0.00 32.46 29.95 1xs5 n ARG 150 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1xs5 n ASN 151 N 1.41 -5.92 -4.64 0.55 3.02 -1.15 -4.18 115.26 104.34 1xs5 n ASN 151 Ca 0.22 -0.77 -0.31 0.00 -0.03 0.00 0.00 54.58 53.69 1xs5 n ASN 151 Cb 0.55 -3.65 -0.09 0.00 -0.61 0.00 0.00 39.78 35.98 1xs5 n ASN 151 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1xs5 s VAL 152 N -3.26 3.77 -0.26 2.41 1.01 -1.26 0.33 120.40 123.13 1xs5 s VAL 152 Ca 0.28 -1.00 -0.10 0.00 0.00 0.00 0.00 61.98 61.16 1xs5 s VAL 152 Cb -0.09 -2.75 -0.05 0.00 0.00 0.00 0.00 36.38 33.49 1xs5 s VAL 152 CO 0.83 0.19 0.16 -0.69 0.00 0.00 0.00 175.10 175.59 1xs5 s VAL 153 N -1.21 5.15 -0.29 2.92 1.01 -0.00 -4.95 120.40 123.02 1xs5 s VAL 153 Ca 0.22 0.11 -0.12 0.00 0.00 0.00 0.00 61.98 62.19 1xs5 s VAL 153 Cb -0.11 -3.43 -0.04 0.00 0.00 0.00 0.00 36.38 32.80 1xs5 s VAL 153 CO 0.14 0.29 0.25 -0.76 0.00 0.00 0.00 175.10 175.02 1xs5 s LEU 154 N 1.54 4.15 -0.20 3.92 1.43 -1.26 -0.30 118.68 127.96 1xs5 s LEU 154 Ca 0.07 -0.05 -0.05 0.00 -1.03 0.00 0.00 54.13 53.07 1xs5 s LEU 154 Cb -0.15 -2.20 -0.02 0.00 0.03 0.00 0.00 46.19 43.85 1xs5 s LEU 154 CO 0.08 -0.13 -0.01 -1.10 0.23 0.00 0.00 176.35 175.42 1xs5 s GLN 155 N 1.83 3.56 0.04 1.70 -0.21 0.16 -4.97 119.66 121.78 1xs5 s GLN 155 Ca 0.09 -0.55 -0.30 0.00 0.02 0.00 0.00 55.36 54.63 1xs5 s GLN 155 Cb -0.16 -3.05 -0.04 0.00 1.00 0.00 0.00 33.01 30.75 1xs5 s GLN 155 CO 0.11 -0.02 0.95 -1.21 -2.12 0.00 0.00 175.29 173.00 1xs5 s GLU 156 N 1.07 4.60 -0.00 2.91 2.02 -1.26 -0.57 118.70 127.47 1xs5 s GLU 156 Ca 0.02 1.40 -0.02 0.00 0.02 0.00 0.00 54.97 56.38 1xs5 s GLU 156 Cb -0.14 -3.42 -0.00 0.00 0.10 0.00 0.00 34.13 30.66 1xs5 s GLU 156 CO 0.01 0.07 0.04 0.08 0.02 0.00 0.00 175.26 175.48 1xs5 s VAL 157 N 0.58 0.05 0.18 2.63 1.01 0.31 -4.86 120.40 120.30 1xs5 s VAL 157 Ca 0.49 -0.45 -0.33 0.00 0.00 0.00 0.00 61.98 61.69 1xs5 s VAL 157 Cb -0.22 -0.21 -0.14 0.00 0.00 0.00 0.00 36.38 35.81 1xs5 s VAL 157 CO 0.28 -0.25 1.58 -0.62 0.00 0.00 0.00 175.10 176.09 1xs5 n GLU 158 N 2.24 2.22 -0.26 2.72 1.02 -1.26 -1.56 120.64 125.76 1xs5 n GLU 158 Ca -0.18 0.80 0.05 0.00 -0.02 0.00 0.00 57.16 57.81 1xs5 n GLU 158 Cb 0.57 -2.57 0.16 0.00 -0.02 0.00 0.00 31.44 29.59 1xs5 n GLU 158 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 1xs5 h SER 159 N 5.85 -0.30 0.08 1.62 0.02 -1.94 0.79 113.55 119.67 1xs5 h SER 159 Ca -0.45 0.19 -0.00 0.00 -0.84 0.00 0.00 61.79 60.69 1xs5 h SER 159 Cb 1.25 0.33 -0.00 0.00 0.14 0.00 0.00 62.40 64.12 1xs5 h SER 159 CO 0.88 -0.17 -0.00 0.00 -1.14 0.00 0.00 176.83 176.41 1xs5 h ALA 160 N 1.70 1.01 -0.02 3.77 0.00 -1.99 -2.32 119.26 121.40 1xs5 h ALA 160 Ca 0.41 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.32 1xs5 h ALA 160 Cb 0.73 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1xs5 h ALA 160 CO -0.65 0.00 -0.06 1.28 0.00 0.00 0.00 179.25 179.82 1xs5 n LEU 161 N -3.10 2.49 -0.32 0.00 4.77 0.26 -4.39 117.00 116.71 1xs5 n LEU 161 Ca -0.03 -0.84 -0.04 0.00 -0.03 0.00 0.00 56.01 55.08 1xs5 n LEU 161 Cb 0.09 -0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.26 1xs5 n LEU 161 CO 0.21 0.42 1.19 0.25 -1.33 0.00 0.00 177.39 178.13 1xs5 h LEU 162 N 3.81 1.03 -1.31 2.23 5.85 -1.35 -0.93 115.31 124.64 1xs5 h LEU 162 Ca 0.00 -0.07 -0.07 0.00 0.84 0.00 0.00 57.88 58.58 1xs5 h LEU 162 Cb 0.85 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 1xs5 h LEU 162 CO 0.00 0.80 -0.34 -0.65 -0.34 0.00 0.00 178.44 177.91 1xs5 h PRO 163 N 1.18 0.00 0.00 5.25 0.11 -1.79 -1.82 132.00 134.93 1xs5 h PRO 163 Ca 0.31 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 66.30 1xs5 h PRO 163 Cb -0.04 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.05 1xs5 h PRO 163 CO -0.06 0.34 -0.56 -0.09 -0.21 0.00 0.00 178.00 177.43 1xs5 h ARG 164 N 0.00 0.00 -0.02 1.05 2.43 -1.44 -3.05 114.38 113.34 1xs5 h ARG 164 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1xs5 h ARG 164 Cb 0.63 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.18 1xs5 h ARG 164 CO 0.04 0.56 -0.12 1.33 -1.51 0.00 0.00 179.97 180.27 1xs5 n VAL 165 N -3.75 0.00 -0.30 0.20 0.24 -0.92 -4.53 118.33 109.27 1xs5 n VAL 165 Ca -0.01 -0.41 0.07 0.00 -2.04 0.00 0.00 64.34 61.95 1xs5 n VAL 165 Cb 0.59 1.30 0.22 0.00 -1.47 0.00 0.00 33.84 34.48 1xs5 n VAL 165 CO 0.00 0.00 0.00 0.15 -2.14 0.00 0.00 176.83 174.84 1xs5 h PHE 166 N 3.84 0.82 0.00 6.34 3.57 -1.22 -0.05 116.94 130.24 1xs5 h PHE 166 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1xs5 h PHE 166 Cb 0.88 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.38 1xs5 h PHE 166 CO 0.00 0.23 0.00 -0.25 -2.23 0.00 0.00 178.31 176.06 1xs5 n ASP 167 N -4.83 0.00 -0.20 0.41 8.00 -1.26 -3.14 116.55 115.53 1xs5 n ASP 167 Ca 0.17 -0.99 0.02 0.00 0.71 0.00 0.00 54.79 54.70 1xs5 n ASP 167 Cb 0.41 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.54 1xs5 n ASP 167 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xs5 n GLN 168 N -0.94 0.60 -4.45 -1.24 3.00 -0.05 -5.03 117.38 109.27 1xs5 n GLN 168 Ca 0.19 -1.05 -0.22 0.00 -0.01 0.00 0.00 57.00 55.91 1xs5 n GLN 168 Cb 0.09 -1.09 -0.11 0.00 0.00 0.00 0.00 30.24 29.13 1xs5 n GLN 168 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.06 177.20 1xs5 s VAL 169 N -0.56 1.45 0.18 5.09 -7.23 -1.12 -5.06 120.40 113.16 1xs5 s VAL 169 Ca 0.06 -2.05 0.01 0.00 -1.81 0.00 0.00 61.98 58.20 1xs5 s VAL 169 Cb 0.04 -2.66 -0.12 0.00 0.56 0.00 0.00 36.38 34.20 1xs5 s VAL 169 CO 0.06 -0.13 1.43 0.44 -0.31 0.00 0.00 175.10 176.58 1xs5 h ASP 170 N 2.16 0.35 -5.04 4.85 3.32 -1.60 -3.42 116.42 117.03 1xs5 h ASP 170 Ca -0.41 -0.25 0.04 0.00 0.02 0.00 0.00 57.03 56.44 1xs5 h ASP 170 Cb 1.24 -0.10 -0.05 0.00 0.22 0.00 0.00 39.33 40.63 1xs5 h ASP 170 CO 0.70 1.00 0.18 -0.83 -1.72 0.00 0.00 179.24 178.56 1xs5 s GLY 171 N -4.40 0.05 -0.20 2.75 0.00 -0.90 -4.02 107.32 100.60 1xs5 s GLY 171 Ca -0.04 -0.44 -0.19 0.00 0.00 0.00 0.00 44.72 44.05 1xs5 s GLY 171 CO 0.83 -0.20 0.55 0.00 0.00 0.00 0.00 173.10 174.28 1xs5 s ALA 172 N -3.79 -1.36 -0.41 3.20 0.00 -0.16 -1.76 121.76 117.47 1xs5 s ALA 172 Ca 0.13 1.54 -0.17 0.00 0.00 0.00 0.00 51.96 53.46 1xs5 s ALA 172 Cb -0.05 -0.89 0.02 0.00 0.00 0.00 0.00 23.12 22.20 1xs5 s ALA 172 CO 0.08 -0.26 0.45 0.08 0.00 0.00 0.00 175.76 176.10 1xs5 s VAL 173 N 0.26 5.07 -0.12 0.00 1.01 -0.35 -0.27 120.40 126.00 1xs5 s VAL 173 Ca -0.00 -0.28 0.02 0.00 0.00 0.00 0.00 61.98 61.72 1xs5 s VAL 173 Cb -0.04 -4.03 -0.01 0.00 0.00 0.00 0.00 36.38 32.30 1xs5 s VAL 173 CO 0.01 -0.41 -0.18 -0.63 0.00 0.00 0.00 175.10 173.89 1xs5 s ILE 174 N 2.18 2.57 0.48 2.22 1.01 -0.78 -4.27 121.20 124.62 1xs5 s ILE 174 Ca 0.13 -0.83 -0.22 0.00 0.00 0.00 0.00 60.65 59.73 1xs5 s ILE 174 Cb -0.17 -2.05 -0.09 0.00 0.01 0.00 0.00 42.46 40.17 1xs5 s ILE 174 CO 0.14 0.54 1.00 0.59 0.00 0.00 0.00 174.94 177.20 1xs5 n ASN 175 N 3.66 1.13 -0.25 3.58 4.13 -1.26 -3.90 115.26 122.35 1xs5 n ASN 175 Ca -0.19 0.96 0.02 0.00 1.68 0.00 0.00 54.58 57.05 1xs5 n ASN 175 Cb 0.53 -1.37 0.14 0.00 -1.54 0.00 0.00 39.78 37.54 1xs5 n ASN 175 CO 0.00 0.00 0.00 1.23 0.28 0.00 0.00 177.26 178.77 1xs5 h GLY 176 N 1.22 1.11 0.92 7.41 0.00 -1.78 -0.10 103.07 111.84 1xs5 h GLY 176 Ca -0.46 -0.24 0.02 0.00 0.00 0.00 0.00 47.33 46.64 1xs5 h GLY 176 CO 0.55 0.08 0.30 3.45 0.00 0.00 0.00 176.54 180.91 1xs5 h ASN 177 N 0.65 0.49 0.50 0.19 -1.07 -1.90 0.12 115.58 114.57 1xs5 h ASN 177 Ca 0.36 -0.00 -0.14 0.00 0.07 0.00 0.00 56.30 56.58 1xs5 h ASN 177 Cb 0.36 -0.11 -0.02 0.00 -2.07 0.00 0.00 38.32 36.49 1xs5 h ASN 177 CO -0.26 0.35 -0.64 1.88 0.07 0.00 0.00 177.43 178.83 1xs5 h TYR 178 N 0.60 0.17 -0.00 4.14 0.05 -1.66 -1.95 116.97 118.30 1xs5 h TYR 178 Ca 0.19 -0.07 -0.00 0.00 0.05 0.00 0.00 58.73 58.90 1xs5 h TYR 178 Cb -0.01 -0.03 -0.00 0.00 1.01 0.00 0.00 36.73 37.70 1xs5 h TYR 178 CO -0.06 0.73 -0.00 0.00 -1.05 0.00 0.00 178.16 177.78 1xs5 h ALA 179 N 1.25 0.01 -1.01 3.88 0.00 -0.58 -2.61 119.26 120.21 1xs5 h ALA 179 Ca -0.01 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.77 1xs5 h ALA 179 Cb 1.15 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.88 1xs5 h ALA 179 CO 0.09 -0.33 0.66 0.82 0.00 0.00 0.00 179.25 180.49 1xs5 h ILE 180 N -0.31 1.21 0.00 0.00 2.04 -0.90 0.78 117.51 120.32 1xs5 h ILE 180 Ca 0.00 -0.45 -0.02 0.00 1.00 0.00 0.00 64.86 65.39 1xs5 h ILE 180 Cb 0.32 -0.22 -0.00 0.00 -0.74 0.00 0.00 36.82 36.18 1xs5 h ILE 180 CO 0.00 0.24 -0.10 0.24 0.00 0.00 0.00 178.15 178.53 1xs5 h MET 181 N 1.31 0.00 -0.69 2.37 2.86 -1.29 -2.26 114.93 117.23 1xs5 h MET 181 Ca 0.39 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.03 1xs5 h MET 181 Cb -0.06 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.60 1xs5 h MET 181 CO -0.11 0.10 0.00 0.00 1.06 0.00 0.00 176.91 177.96 1xs5 n ALA 182 N -2.28 2.83 -1.04 6.32 0.00 -0.09 -4.96 120.51 121.29 1xs5 n ALA 182 Ca -0.02 -1.49 -0.01 0.00 0.00 0.00 0.00 53.44 51.91 1xs5 n ALA 182 Cb 0.22 -0.99 -0.01 0.00 0.00 0.00 0.00 19.45 18.67 1xs5 n ALA 182 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xs5 n GLY 183 N 1.35 0.50 3.59 0.00 0.00 -0.83 -5.04 105.19 104.74 1xs5 n GLY 183 Ca 0.26 -0.97 -0.34 0.00 0.00 0.00 0.00 46.02 44.97 1xs5 n GLY 183 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xs5 s LEU 184 N -0.33 3.47 -0.14 0.99 1.43 0.07 -4.98 118.68 119.20 1xs5 s LEU 184 Ca 0.00 0.00 -0.01 0.00 -1.03 0.00 0.00 54.13 53.09 1xs5 s LEU 184 Cb 0.00 -1.83 -0.02 0.00 0.03 0.00 0.00 46.19 44.37 1xs5 s LEU 184 CO 0.00 0.24 -0.10 -0.55 0.23 0.00 0.00 176.35 176.17 1xs5 s SER 185 N -0.05 4.28 0.48 2.29 0.15 -1.26 -3.06 113.70 116.53 1xs5 s SER 185 Ca 0.03 -0.26 0.13 0.00 0.70 0.00 0.00 55.95 56.56 1xs5 s SER 185 Cb -0.13 -1.66 1.12 0.00 -1.71 0.00 0.00 66.02 63.64 1xs5 s SER 185 CO 0.02 0.17 2.10 0.00 1.20 0.00 0.00 173.24 176.73 1xs5 h ALA 186 N 6.67 1.87 0.07 5.45 0.00 -1.94 0.30 119.26 131.68 1xs5 h ALA 186 Ca -0.28 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.45 1xs5 h ALA 186 Cb 1.21 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1xs5 h ALA 186 CO 0.58 0.11 -0.73 -0.09 0.00 0.00 0.00 179.25 179.12 1xs5 h ARG 187 N 0.14 0.15 -0.03 0.00 2.43 -1.91 -2.69 114.38 112.47 1xs5 h ARG 187 Ca 0.04 -0.25 -0.25 0.00 -0.81 0.00 0.00 59.98 58.71 1xs5 h ARG 187 Cb 0.04 0.09 0.02 0.00 -0.42 0.00 0.00 29.97 29.70 1xs5 h ARG 187 CO -0.00 1.12 -0.97 -0.09 -1.51 0.00 0.00 179.97 178.52 1xs5 h ARG 188 N -0.66 0.67 0.00 0.20 2.43 -1.90 -3.38 114.38 111.73 1xs5 h ARG 188 Ca -0.16 -0.67 -0.00 0.00 -0.81 0.00 0.00 59.98 58.34 1xs5 h ARG 188 Cb 1.40 0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 31.13 1xs5 h ARG 188 CO 0.03 1.27 -1.61 -0.25 -1.51 0.00 0.00 179.97 177.90 1xs5 n ASP 189 N -3.85 1.98 -4.75 -3.80 8.00 0.10 -4.99 116.55 109.24 1xs5 n ASP 189 Ca -0.09 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 55.03 1xs5 n ASP 189 Cb 0.84 1.59 0.03 0.00 -0.02 0.00 0.00 41.12 43.57 1xs5 n ASP 189 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1xs5 s GLY 190 N -3.54 2.82 -0.02 0.44 0.00 -0.96 -4.68 107.32 101.39 1xs5 s GLY 190 Ca -0.05 1.14 0.14 0.00 0.00 0.00 0.00 44.72 45.96 1xs5 s GLY 190 CO 0.55 1.60 0.36 1.04 0.00 0.00 0.00 173.10 176.64 1xs5 n LEU 191 N -1.23 0.10 -3.58 0.66 4.77 -0.01 -4.92 117.00 112.79 1xs5 n LEU 191 Ca 0.12 -0.08 -0.16 0.00 -0.03 0.00 0.00 56.01 55.86 1xs5 n LEU 191 Cb 0.47 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.50 1xs5 n LEU 191 CO 0.48 0.02 0.43 0.00 -1.33 0.00 0.00 177.39 177.00 1xs5 s ALA 192 N -2.89 -1.78 0.16 -1.18 0.00 -1.25 -4.52 121.76 110.30 1xs5 s ALA 192 Ca -0.04 1.72 0.10 0.00 0.00 0.00 0.00 51.96 53.75 1xs5 s ALA 192 Cb 0.09 -0.68 -0.04 0.00 0.00 0.00 0.00 23.12 22.50 1xs5 s ALA 192 CO 0.59 -0.35 -0.23 0.08 0.00 0.00 0.00 175.76 175.85 1xs5 s VAL 193 N -0.30 2.14 0.64 0.00 1.01 -1.26 -1.03 120.40 121.60 1xs5 s VAL 193 Ca -0.05 -1.90 -0.18 0.00 0.00 0.00 0.00 61.98 59.86 1xs5 s VAL 193 Cb -0.03 -1.97 -0.01 0.00 0.00 0.00 0.00 36.38 34.37 1xs5 s VAL 193 CO 0.05 -0.12 1.26 -1.83 0.00 0.00 0.00 175.10 174.47 1xs5 s GLU 194 N -2.49 2.63 0.44 2.72 -1.05 -0.51 -4.93 118.70 115.52 1xs5 s GLU 194 Ca 0.17 1.97 0.25 0.00 -0.15 0.00 0.00 54.97 57.20 1xs5 s GLU 194 Cb -0.08 -1.87 0.89 0.00 -0.44 0.00 0.00 34.13 32.63 1xs5 s GLU 194 CO 0.08 -1.51 1.81 -1.00 0.95 0.00 0.00 175.26 175.59 1xs5 h PRO 195 N 0.57 0.00 -1.69 -4.83 0.13 -1.91 -3.39 132.00 120.89 1xs5 h PRO 195 Ca -0.51 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.12 1xs5 h PRO 195 Cb 1.32 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 32.10 1xs5 h PRO 195 CO 0.53 0.20 -1.01 -3.47 -0.23 0.00 0.00 178.00 174.02 1xs5 n ASP 196 N -3.33 -0.31 0.22 1.44 2.03 -1.26 -4.96 116.55 110.38 1xs5 n ASP 196 Ca 0.00 -2.79 0.07 0.00 0.52 0.00 0.00 54.79 52.60 1xs5 n ASP 196 Cb 0.44 -0.25 0.60 0.00 -0.72 0.00 0.00 41.12 41.18 1xs5 n ASP 196 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1xs5 h ALA 197 N 4.00 1.94 0.00 -1.67 0.00 -1.97 -2.47 119.26 119.08 1xs5 h ALA 197 Ca 0.04 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1xs5 h ALA 197 Cb 0.90 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 1xs5 h ALA 197 CO 0.44 0.05 -0.16 0.66 0.00 0.00 0.00 179.25 180.24 1xs5 h SER 198 N 0.08 0.00 0.52 0.00 4.64 -1.97 -1.02 113.55 115.80 1xs5 h SER 198 Ca 0.02 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.33 1xs5 h SER 198 Cb 0.02 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1xs5 h SER 198 CO -0.00 0.16 -0.07 0.00 -0.87 0.00 0.00 176.83 176.05 1xs5 h ALA 199 N 1.84 1.12 -0.74 5.18 0.00 -1.87 -2.75 119.26 122.04 1xs5 h ALA 199 Ca -0.00 -0.06 -0.37 0.00 0.00 0.00 0.00 54.91 54.47 1xs5 h ALA 199 Cb 0.31 -0.01 -0.22 0.00 0.00 0.00 0.00 17.79 17.87 1xs5 h ALA 199 CO 0.02 0.09 0.36 0.66 0.00 0.00 0.00 179.25 180.38 1xs5 n TYR 200 N -3.35 2.31 -1.72 0.00 4.01 -0.39 -4.70 117.16 113.32 1xs5 n TYR 200 Ca -0.01 -1.71 -0.42 0.00 -0.16 0.00 0.00 57.90 55.60 1xs5 n TYR 200 Cb 0.24 -0.76 -0.01 0.00 -0.31 0.00 0.00 39.34 38.50 1xs5 n TYR 200 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1xs5 n ALA 201 N -1.07 1.67 -2.01 -0.72 0.00 -1.04 -4.69 120.51 112.66 1xs5 n ALA 201 Ca 0.49 0.36 -0.40 0.00 0.00 0.00 0.00 53.44 53.89 1xs5 n ALA 201 Cb 1.42 -2.31 -0.06 0.00 0.00 0.00 0.00 19.45 18.50 1xs5 n ALA 201 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1xs5 s ASN 202 N -0.22 7.44 0.22 0.00 0.02 0.67 -3.90 114.94 119.16 1xs5 s ASN 202 Ca 0.55 1.70 0.08 0.00 -1.02 0.00 0.00 52.86 54.17 1xs5 s ASN 202 Cb -0.54 -2.53 -0.05 0.00 0.02 0.00 0.00 41.25 38.16 1xs5 s ASN 202 CO 0.62 0.15 -0.15 0.68 0.02 0.00 0.00 177.10 178.42 1xs5 s VAL 203 N -0.91 1.81 -0.13 1.60 -7.23 -0.13 -1.01 120.40 114.41 1xs5 s VAL 203 Ca 0.38 -2.23 -0.20 0.00 -1.81 0.00 0.00 61.98 58.12 1xs5 s VAL 203 Cb -0.23 -2.09 -0.04 0.00 0.56 0.00 0.00 36.38 34.58 1xs5 s VAL 203 CO 0.27 -0.56 0.58 -0.22 -0.31 0.00 0.00 175.10 174.87 1xs5 s LEU 204 N -3.34 4.24 -0.02 1.32 2.96 -0.98 -4.28 118.68 118.58 1xs5 s LEU 204 Ca 0.24 0.92 0.08 0.00 -0.22 0.00 0.00 54.13 55.14 1xs5 s LEU 204 Cb -0.01 -2.86 -0.02 0.00 0.50 0.00 0.00 46.19 43.80 1xs5 s LEU 204 CO 0.08 -0.12 -0.25 -0.69 -1.32 0.00 0.00 176.35 174.05 1xs5 s VAL 205 N 1.08 2.01 0.27 1.68 1.01 -0.49 -1.30 120.40 124.65 1xs5 s VAL 205 Ca 0.30 -1.09 0.03 0.00 0.00 0.00 0.00 61.98 61.21 1xs5 s VAL 205 Cb -0.16 -1.67 -0.04 0.00 0.00 0.00 0.00 36.38 34.52 1xs5 s VAL 205 CO 0.12 0.56 0.18 0.68 0.00 0.00 0.00 175.10 176.64 1xs5 s VAL 206 N -0.60 0.12 0.36 2.92 -7.23 -0.65 -1.42 120.40 113.90 1xs5 s VAL 206 Ca 0.10 -2.00 -0.25 0.00 -1.81 0.00 0.00 61.98 58.02 1xs5 s VAL 206 Cb -0.10 -2.51 -0.09 0.00 0.56 0.00 0.00 36.38 34.24 1xs5 s VAL 206 CO -0.01 0.00 1.02 -0.75 -0.31 0.00 0.00 175.10 175.05 1xs5 s LYS 207 N -3.86 4.36 0.22 4.82 2.20 -1.26 -1.16 119.74 125.06 1xs5 s LYS 207 Ca 0.38 1.48 -0.32 0.00 -0.36 0.00 0.00 55.97 57.16 1xs5 s LYS 207 Cb 0.05 -2.70 -0.12 0.00 -1.51 0.00 0.00 37.83 33.55 1xs5 s LYS 207 CO 0.18 0.04 1.65 -2.13 -0.36 0.00 0.00 175.35 174.72 1xs5 n ARG 208 N 0.28 2.60 0.00 4.03 0.63 0.50 -1.52 116.66 123.17 1xs5 n ARG 208 Ca 0.03 0.93 0.00 0.00 -0.92 0.00 0.00 57.85 57.90 1xs5 n ARG 208 Cb 0.49 -2.74 0.00 0.00 0.45 0.00 0.00 32.46 30.66 1xs5 n ARG 208 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1xs5 n GLY 209 N 3.32 2.07 0.50 5.14 0.00 -1.26 -4.92 105.19 110.03 1xs5 n GLY 209 Ca 0.14 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.21 1xs5 n GLY 209 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xs5 n ASN 210 N 0.00 2.37 -0.25 1.61 3.02 -0.58 -4.72 115.26 116.72 1xs5 n ASN 210 Ca 0.00 -1.73 0.11 0.00 -0.03 0.00 0.00 54.58 52.93 1xs5 n ASN 210 Cb 0.00 -0.11 0.38 0.00 -0.61 0.00 0.00 39.78 39.44 1xs5 n ASN 210 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1xs5 h GLU 211 N 1.90 0.67 -0.00 3.52 3.07 -1.92 -1.61 114.58 120.21 1xs5 h GLU 211 Ca 0.00 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 1xs5 h GLU 211 Cb 0.57 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 28.33 1xs5 h GLU 211 CO 0.00 0.45 -0.29 0.00 -1.40 0.00 0.00 179.01 177.77 1xs5 n ALA 212 N -2.44 3.09 -1.55 3.43 0.00 -1.26 -4.56 120.51 117.22 1xs5 n ALA 212 Ca 0.16 -0.30 -0.55 0.00 0.00 0.00 0.00 53.44 52.75 1xs5 n ALA 212 Cb 0.43 -1.23 -0.07 0.00 0.00 0.00 0.00 19.45 18.58 1xs5 n ALA 212 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1xs5 n ASP 213 N -1.25 0.82 0.21 0.00 -0.08 -0.61 -4.76 116.55 110.90 1xs5 n ASP 213 Ca 0.09 1.14 0.05 0.00 -1.51 0.00 0.00 54.79 54.55 1xs5 n ASP 213 Cb 0.33 -1.06 0.47 0.00 2.34 0.00 0.00 41.12 43.19 1xs5 n ASP 213 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1xs5 h ALA 214 N 3.75 1.55 -0.18 -1.67 0.00 -1.91 -1.08 119.26 119.72 1xs5 h ALA 214 Ca -0.49 -0.23 -0.22 0.00 0.00 0.00 0.00 54.91 53.98 1xs5 h ALA 214 Cb 1.38 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 19.14 1xs5 h ALA 214 CO 0.71 0.31 -0.74 0.00 0.00 0.00 0.00 179.25 179.53 1xs5 h ARG 215 N 0.00 0.81 0.06 0.00 -0.00 -1.97 -2.10 114.38 111.18 1xs5 h ARG 215 Ca -0.00 -0.63 -0.00 0.00 -0.50 0.00 0.00 59.98 58.84 1xs5 h ARG 215 Cb 0.45 0.12 0.00 0.00 0.00 0.00 0.00 29.97 30.54 1xs5 h ARG 215 CO 0.03 1.24 -0.03 0.28 0.00 0.00 0.00 179.97 181.50 1xs5 h VAL 216 N 0.56 1.01 -0.60 2.04 2.07 -1.81 -1.51 116.25 118.01 1xs5 h VAL 216 Ca -0.04 -0.24 0.07 0.00 0.82 0.00 0.00 66.70 67.31 1xs5 h VAL 216 Cb 1.37 1.17 -0.04 0.00 -1.52 0.00 0.00 31.29 32.27 1xs5 h VAL 216 CO 0.15 0.06 0.40 1.56 0.02 0.00 0.00 177.57 179.76 1xs5 h GLN 217 N -0.19 0.54 -0.16 1.57 1.08 -1.19 -0.34 115.11 116.42 1xs5 h GLN 217 Ca -0.01 -0.03 -0.14 0.00 -1.45 0.00 0.00 58.65 57.02 1xs5 h GLN 217 Cb 0.16 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 27.46 1xs5 h GLN 217 CO 0.01 0.36 -0.49 0.00 -0.95 0.00 0.00 178.83 177.76 1xs5 h ALA 218 N 1.68 0.85 -0.32 3.87 0.00 -0.88 -1.17 119.26 123.29 1xs5 h ALA 218 Ca 0.26 -0.48 -0.11 0.00 0.00 0.00 0.00 54.91 54.59 1xs5 h ALA 218 Cb 0.32 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1xs5 h ALA 218 CO -0.08 0.67 -0.22 0.28 0.00 0.00 0.00 179.25 179.90 1xs5 h VAL 219 N 0.34 1.29 -0.53 0.00 2.07 -0.37 -1.84 116.25 117.21 1xs5 h VAL 219 Ca 0.02 -1.37 0.02 0.00 0.82 0.00 0.00 66.70 66.19 1xs5 h VAL 219 Cb 0.99 1.48 -0.03 0.00 -1.52 0.00 0.00 31.29 32.21 1xs5 h VAL 219 CO 0.09 0.44 0.33 0.25 0.02 0.00 0.00 177.57 178.70 1xs5 h LEU 220 N 0.47 0.55 -1.07 2.57 5.85 -0.90 0.71 115.31 123.49 1xs5 h LEU 220 Ca 0.06 -0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 1xs5 h LEU 220 Cb 0.78 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.66 1xs5 h LEU 220 CO 0.06 0.39 0.19 0.03 -0.34 0.00 0.00 178.44 178.78 1xs5 h ARG 221 N 0.67 0.86 -0.15 1.25 3.08 -1.13 -1.15 114.38 117.81 1xs5 h ARG 221 Ca 0.21 -0.15 -0.16 0.00 0.07 0.00 0.00 59.98 59.95 1xs5 h ARG 221 Cb -0.02 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.89 1xs5 h ARG 221 CO -0.08 0.73 -0.59 0.00 -1.07 0.00 0.00 179.97 178.97 1xs5 h ALA 222 N 1.37 0.71 0.00 0.04 0.00 -0.62 -1.87 119.26 118.90 1xs5 h ALA 222 Ca 0.19 -0.53 -0.11 0.00 0.00 0.00 0.00 54.91 54.46 1xs5 h ALA 222 Cb 0.22 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1xs5 h ALA 222 CO -0.01 0.70 -0.53 -0.07 0.00 0.00 0.00 179.25 179.34 1xs5 h LEU 223 N 0.36 0.00 -2.47 0.00 3.38 -0.19 -3.00 115.31 113.39 1xs5 h LEU 223 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xs5 h LEU 223 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1xs5 h LEU 223 CO 0.11 0.53 0.00 0.00 0.09 0.00 0.00 178.44 179.17 1xs5 s GLY 225 N -1.07 1.65 0.32 0.00 0.00 -0.71 -4.84 107.32 102.67 1xs5 s GLY 225 Ca 0.45 -0.82 0.07 0.00 0.00 0.00 0.00 44.72 44.41 1xs5 s GLY 225 CO 0.31 -0.38 1.82 -1.33 0.00 0.00 0.00 173.10 173.53 1xs5 h GLY 226 N -0.80 1.51 1.26 0.20 0.00 -1.89 -0.35 103.07 103.01 1xs5 h GLY 226 Ca -0.45 -0.35 -0.11 0.00 0.00 0.00 0.00 47.33 46.43 1xs5 h GLY 226 CO 0.62 0.04 -0.15 -0.09 0.00 0.00 0.00 176.54 176.97 1xs5 h ARG 227 N 0.77 0.86 -0.10 4.80 2.43 -1.93 0.59 114.38 121.80 1xs5 h ARG 227 Ca 0.51 -0.32 -0.09 0.00 -0.81 0.00 0.00 59.98 59.28 1xs5 h ARG 227 Cb 0.78 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.27 1xs5 h ARG 227 CO -0.28 0.95 -0.27 0.28 -1.51 0.00 0.00 179.97 179.13 1xs5 h VAL 228 N 0.77 1.40 -1.00 0.20 2.07 -1.58 -0.88 116.25 117.23 1xs5 h VAL 228 Ca 0.12 -1.61 0.10 0.00 0.82 0.00 0.00 66.70 66.13 1xs5 h VAL 228 Cb 0.67 2.19 -0.08 0.00 -1.52 0.00 0.00 31.29 32.55 1xs5 h VAL 228 CO 0.05 0.47 0.64 0.03 0.02 0.00 0.00 177.57 178.77 1xs5 h ARG 229 N -0.10 1.03 -0.21 1.57 3.08 -1.02 0.37 114.38 119.11 1xs5 h ARG 229 Ca -0.01 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 59.94 1xs5 h ARG 229 Cb 0.89 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.70 1xs5 h ARG 229 CO 0.06 0.68 -0.02 1.15 -1.07 0.00 0.00 179.97 180.77 1xs5 h THR 230 N 1.06 1.27 -0.58 2.04 2.02 -0.82 -2.33 112.91 115.56 1xs5 h THR 230 Ca 0.47 -0.95 0.04 0.00 0.77 0.00 0.00 66.41 66.74 1xs5 h THR 230 Cb 0.36 1.48 -0.04 0.00 -1.74 0.00 0.00 68.15 68.20 1xs5 h THR 230 CO -0.22 0.29 0.33 0.22 0.37 0.00 0.00 175.52 176.51 1xs5 h TYR 231 N 0.13 0.60 0.28 3.16 3.20 0.01 -2.40 116.97 121.96 1xs5 h TYR 231 Ca 0.06 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.93 1xs5 h TYR 231 Cb 0.45 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.53 1xs5 h TYR 231 CO 0.04 0.31 -0.14 -0.07 -1.64 0.00 0.00 178.16 176.67 1xs5 h LEU 232 N 0.63 -0.32 -1.54 2.82 3.38 -0.89 -0.90 115.31 118.48 1xs5 h LEU 232 Ca 0.25 -0.12 0.15 0.00 0.09 0.00 0.00 57.88 58.25 1xs5 h LEU 232 Cb 0.11 0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.89 1xs5 h LEU 232 CO -0.14 -0.06 0.52 0.11 0.09 0.00 0.00 178.44 178.95 1xs5 h LYS 233 N -0.58 0.44 0.12 1.13 1.57 -1.39 -0.32 116.57 117.53 1xs5 h LYS 233 Ca -0.04 -0.03 -0.29 0.00 -1.87 0.00 0.00 60.65 58.43 1xs5 h LYS 233 Cb 0.42 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.63 1xs5 h LYS 233 CO 0.06 0.29 -1.40 0.93 -0.57 0.00 0.00 179.45 178.77 1xs5 h GLU 234 N 0.45 0.25 0.00 3.15 5.08 -1.26 -3.36 114.58 118.88 1xs5 h GLU 234 Ca 0.38 -0.42 -0.18 0.00 -1.00 0.00 0.00 59.36 58.14 1xs5 h GLU 234 Cb 0.84 0.16 -0.03 0.00 0.50 0.00 0.00 28.75 30.22 1xs5 h GLU 234 CO -0.13 1.14 -1.11 -0.09 -1.00 0.00 0.00 179.01 177.83 1xs5 h ARG 235 N 0.07 0.00 -2.95 2.33 2.43 -0.71 -3.40 114.38 112.15 1xs5 h ARG 235 Ca -0.19 0.00 -0.61 0.00 -0.81 0.00 0.00 59.98 58.36 1xs5 h ARG 235 Cb 1.99 0.00 -0.41 0.00 -0.42 0.00 0.00 29.97 31.13 1xs5 h ARG 235 CO 0.18 0.52 -0.64 0.66 -1.51 0.00 0.00 179.97 179.18 1xs5 n TYR 236 N -3.10 2.56 0.45 2.20 4.01 -0.17 -4.92 117.16 118.19 1xs5 n TYR 236 Ca -0.05 -4.15 0.10 0.00 -0.16 0.00 0.00 57.90 53.64 1xs5 n TYR 236 Cb 0.86 -0.48 0.41 0.00 -0.31 0.00 0.00 39.34 39.83 1xs5 n TYR 236 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1xs5 n LYS 237 N 2.09 0.11 -0.04 -0.72 5.02 -1.26 -1.50 118.16 121.86 1xs5 n LYS 237 Ca 0.22 0.34 0.12 0.00 -2.02 0.00 0.00 58.31 56.97 1xs5 n LYS 237 Cb 0.37 -1.71 0.31 0.00 -0.02 0.00 0.00 35.03 33.98 1xs5 n LYS 237 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xs5 n GLY 238 N 0.03 0.64 2.06 0.72 0.00 -1.26 -4.91 105.19 102.47 1xs5 n GLY 238 Ca 0.03 -0.57 -0.02 0.00 0.00 0.00 0.00 46.02 45.45 1xs5 n GLY 238 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xs5 n GLY 239 N 1.28 0.45 0.34 -0.02 0.00 -0.56 -4.69 105.19 102.00 1xs5 n GLY 239 Ca 0.17 -0.91 0.01 0.00 0.00 0.00 0.00 46.02 45.28 1xs5 n GLY 239 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1xs5 h GLU 240 N 0.00 0.94 -3.84 1.61 3.07 -1.91 -3.38 114.58 111.06 1xs5 h GLU 240 Ca -0.05 -0.06 -0.44 0.00 -0.50 0.00 0.00 59.36 58.31 1xs5 h GLU 240 Cb 0.48 -0.21 -0.37 0.00 -0.84 0.00 0.00 28.75 27.81 1xs5 h GLU 240 CO 0.07 0.63 -0.77 0.08 -1.40 0.00 0.00 179.01 177.61 1xs5 s VAL 241 N -5.78 0.49 0.01 3.13 1.01 -1.26 -3.71 120.40 114.29 1xs5 s VAL 241 Ca -0.11 0.02 0.01 0.00 0.00 0.00 0.00 61.98 61.90 1xs5 s VAL 241 Cb 0.18 -0.60 -0.01 0.00 0.00 0.00 0.00 36.38 35.94 1xs5 s VAL 241 CO 0.78 0.27 -0.03 0.00 0.00 0.00 0.00 175.10 176.11 1xs5 s ALA 242 N 1.71 0.23 0.35 5.51 0.00 -0.63 -4.69 121.76 124.24 1xs5 s ALA 242 Ca 0.01 -0.36 -0.27 0.00 0.00 0.00 0.00 51.96 51.35 1xs5 s ALA 242 Cb -0.13 0.03 -0.12 0.00 0.00 0.00 0.00 23.12 22.90 1xs5 s ALA 242 CO -0.04 -0.03 1.07 -2.30 0.00 0.00 0.00 175.76 174.46 1xs5 n PRO 243 N 2.34 1.53 0.00 0.00 -0.02 -1.26 -0.67 135.00 136.92 1xs5 n PRO 243 Ca -0.18 0.54 0.15 0.00 -2.02 0.00 0.00 63.50 62.00 1xs5 n PRO 243 Cb 0.57 -2.03 0.73 0.00 -0.02 0.00 0.00 33.50 32.75 1xs5 n PRO 243 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48