#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b8u n THR 4 N 0.00 0.07 -2.28 0.58 -1.04 -1.26 -4.36 114.28 105.98 1b8u n THR 4 Ca 0.00 -0.06 -0.40 0.00 -2.04 0.00 0.00 64.05 61.55 1b8u n THR 4 Cb 0.00 -0.80 -0.03 0.00 -1.82 0.00 0.00 70.33 67.68 1b8u n THR 4 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1b8u s PRO 5 N 5.37 4.38 0.32 -2.82 0.04 -1.26 -4.70 135.00 136.32 1b8u s PRO 5 Ca 1.14 1.98 -0.08 0.00 0.04 0.00 0.00 61.00 64.08 1b8u s PRO 5 Cb -1.33 -3.01 -0.06 0.00 0.04 0.00 0.00 34.50 30.14 1b8u s PRO 5 CO 0.65 -0.08 0.62 -1.64 0.04 0.00 0.00 177.00 176.59 1b8u s MET 6 N -1.80 3.71 -0.40 4.56 -1.94 -0.88 -4.85 119.30 117.69 1b8u s MET 6 Ca 0.49 0.20 -0.13 0.00 -1.71 0.00 0.00 55.69 54.54 1b8u s MET 6 Cb -0.35 -2.56 0.03 0.00 2.01 0.00 0.00 34.83 33.96 1b8u s MET 6 CO 0.45 0.15 0.27 1.03 -0.01 0.00 0.00 175.02 176.92 1b8u s ARG 7 N -3.52 2.90 -0.41 2.03 0.52 -1.26 -1.03 118.95 118.18 1b8u s ARG 7 Ca 0.47 -1.09 -0.15 0.00 -0.52 0.00 0.00 55.73 54.44 1b8u s ARG 7 Cb -0.11 -3.90 0.02 0.00 0.52 0.00 0.00 34.95 31.49 1b8u s ARG 7 CO 0.29 -0.77 0.30 0.08 0.02 0.00 0.00 175.30 175.22 1b8u s VAL 8 N 1.62 5.26 -0.12 3.52 1.01 0.75 -0.94 120.40 131.50 1b8u s VAL 8 Ca 0.04 -0.65 -0.19 0.00 0.00 0.00 0.00 61.98 61.18 1b8u s VAL 8 Cb -0.20 -3.92 -0.04 0.00 0.00 0.00 0.00 36.38 32.22 1b8u s VAL 8 CO 0.08 -0.30 0.50 0.00 0.00 0.00 0.00 175.10 175.38 1b8u s ALA 9 N 1.68 3.47 -0.06 5.51 0.00 -0.60 -1.14 121.76 130.62 1b8u s ALA 9 Ca 0.05 -0.18 0.02 0.00 0.00 0.00 0.00 51.96 51.85 1b8u s ALA 9 Cb -0.19 -2.69 0.01 0.00 0.00 0.00 0.00 23.12 20.26 1b8u s ALA 9 CO 0.10 -0.04 -0.11 0.08 0.00 0.00 0.00 175.76 175.79 1b8u s VAL 10 N 0.72 1.00 0.35 0.00 1.01 -0.86 -1.32 120.40 121.30 1b8u s VAL 10 Ca 0.27 -0.41 -0.06 0.00 0.00 0.00 0.00 61.98 61.77 1b8u s VAL 10 Cb -0.15 -0.93 -0.05 0.00 0.00 0.00 0.00 36.38 35.24 1b8u s VAL 10 CO 0.11 0.32 0.65 -0.89 0.00 0.00 0.00 175.10 175.29 1b8u s THR 11 N 0.67 4.94 -2.01 3.92 2.01 -0.37 -1.51 115.64 123.28 1b8u s THR 11 Ca -0.13 0.22 0.00 0.00 0.31 0.00 0.00 61.69 62.09 1b8u s THR 11 Cb -0.15 -3.76 0.00 0.00 0.01 0.00 0.00 72.50 68.60 1b8u s THR 11 CO 0.03 -0.46 0.00 0.61 -0.69 0.00 0.00 174.62 174.11 1b8u n GLY 12 N -1.25 0.79 0.62 4.40 0.00 0.61 -3.46 105.19 106.89 1b8u n GLY 12 Ca -0.00 -0.01 0.45 0.00 0.00 0.00 0.00 46.02 46.46 1b8u n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b8u h ALA 13 N 0.48 3.44 -0.00 4.61 0.00 -1.69 0.41 119.26 126.51 1b8u h ALA 13 Ca -0.46 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1b8u h ALA 13 Cb 1.37 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.29 1b8u h ALA 13 CO 0.61 -1.94 -0.06 0.00 0.00 0.00 0.00 179.25 177.86 1b8u n ALA 14 N -2.81 2.70 -1.93 0.00 0.00 -1.26 -4.49 120.51 112.71 1b8u n ALA 14 Ca 0.37 -0.27 -0.17 0.00 0.00 0.00 0.00 53.44 53.36 1b8u n ALA 14 Cb 1.66 -1.36 0.14 0.00 0.00 0.00 0.00 19.45 19.90 1b8u n ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1b8u n GLY 15 N 1.20 -0.89 0.20 0.00 0.00 0.14 -4.88 105.19 100.97 1b8u n GLY 15 Ca 0.17 -1.78 -0.14 0.00 0.00 0.00 0.00 46.02 44.27 1b8u n GLY 15 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1b8u h GLN 16 N 0.00 -0.42 -0.58 1.61 1.08 -1.91 -2.44 115.11 112.45 1b8u h GLN 16 Ca -0.32 0.03 0.11 0.00 -1.45 0.00 0.00 58.65 57.03 1b8u h GLN 16 Cb 0.94 0.10 -0.09 0.00 -0.05 0.00 0.00 27.48 28.37 1b8u h GLN 16 CO 0.25 -0.15 0.03 0.82 -0.95 0.00 0.00 178.83 178.84 1b8u h ILE 17 N -0.67 0.56 -0.51 2.54 2.04 -1.92 -1.89 117.51 117.66 1b8u h ILE 17 Ca -0.04 -0.05 -0.03 0.00 1.00 0.00 0.00 64.86 65.73 1b8u h ILE 17 Cb 0.47 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 36.93 1b8u h ILE 17 CO 0.07 0.03 0.20 0.00 0.00 0.00 0.00 178.15 178.45 1b8u h TYR 19 N 0.73 0.00 0.04 0.00 3.20 -0.83 0.44 116.97 120.56 1b8u h TYR 19 Ca 0.18 0.00 -0.35 0.00 3.14 0.00 0.00 58.73 61.70 1b8u h TYR 19 Cb 0.16 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.38 1b8u h TYR 19 CO 0.01 0.00 -2.07 0.43 -1.64 0.00 0.00 178.16 174.89 1b8u n SER 20 N -4.32 1.31 0.04 -2.11 7.64 -0.91 -4.55 113.62 110.71 1b8u n SER 20 Ca -0.01 0.17 -0.12 0.00 1.01 0.00 0.00 58.87 59.93 1b8u n SER 20 Cb 0.19 -0.18 -0.09 0.00 -1.01 0.00 0.00 64.21 63.12 1b8u n SER 20 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1b8u h LEU 21 N 0.02 -0.13 -0.97 -3.43 5.85 0.58 -3.37 115.31 113.86 1b8u h LEU 21 Ca -0.43 -0.39 0.14 0.00 0.84 0.00 0.00 57.88 58.03 1b8u h LEU 21 Cb 2.04 0.03 -0.09 0.00 0.37 0.00 0.00 40.66 43.02 1b8u h LEU 21 CO 0.04 0.37 0.59 -0.07 -0.34 0.00 0.00 178.44 179.03 1b8u h LEU 22 N -0.69 0.83 -0.93 2.25 3.38 -0.40 -2.38 115.31 117.37 1b8u h LEU 22 Ca -0.02 0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 1b8u h LEU 22 Cb 0.52 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1b8u h LEU 22 CO 0.03 0.40 -0.24 -0.26 0.09 0.00 0.00 178.44 178.46 1b8u h PHE 23 N 0.88 0.00 0.00 1.13 -1.00 -1.79 -2.14 116.94 114.03 1b8u h PHE 23 Ca 0.50 0.00 -0.10 0.00 2.81 0.00 0.00 57.97 61.18 1b8u h PHE 23 Cb 0.58 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.12 1b8u h PHE 23 CO -0.02 0.24 -1.11 0.00 -1.61 0.00 0.00 178.31 175.81 1b8u h ARG 24 N 0.00 0.00 0.01 1.51 3.08 -1.64 -2.28 114.38 115.06 1b8u h ARG 24 Ca -0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1b8u h ARG 24 Cb 0.83 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.88 1b8u h ARG 24 CO 0.03 0.22 -0.00 0.82 -1.07 0.00 0.00 179.97 179.97 1b8u h ILE 25 N 0.00 1.48 -0.52 2.04 2.04 -1.33 0.77 117.51 121.99 1b8u h ILE 25 Ca -0.09 -1.52 0.02 0.00 1.00 0.00 0.00 64.86 64.28 1b8u h ILE 25 Cb 1.37 2.51 -0.03 0.00 -0.74 0.00 0.00 36.82 39.93 1b8u h ILE 25 CO 0.03 0.39 0.34 0.00 0.00 0.00 0.00 178.15 178.92 1b8u h ALA 26 N 0.31 1.70 0.00 1.87 0.00 -1.49 -0.20 119.26 121.45 1b8u h ALA 26 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1b8u h ALA 26 Cb 0.65 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1b8u h ALA 26 CO 0.00 0.25 0.00 -1.71 0.00 0.00 0.00 179.25 177.79 1b8u n ASN 27 N -4.47 0.68 0.00 0.00 4.05 -0.86 -4.10 115.26 110.56 1b8u n ASN 27 Ca 0.05 0.65 0.00 0.00 0.45 0.00 0.00 54.58 55.73 1b8u n ASN 27 Cb 0.10 -0.80 0.00 0.00 1.23 0.00 0.00 39.78 40.32 1b8u n ASN 27 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1b8u n GLY 28 N 0.23 0.88 0.22 8.20 0.00 -0.09 -4.90 105.19 109.74 1b8u n GLY 28 Ca 0.03 -0.04 0.08 0.00 0.00 0.00 0.00 46.02 46.10 1b8u n GLY 28 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1b8u h ASP 29 N 0.00 0.00 0.49 1.61 3.32 -1.01 -2.73 116.42 118.10 1b8u h ASP 29 Ca 0.00 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.78 1b8u h ASP 29 Cb 0.00 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.50 1b8u h ASP 29 CO 0.00 0.24 -1.70 0.80 -1.72 0.00 0.00 179.24 176.86 1b8u n MET 30 N -3.69 0.63 -0.14 3.56 1.56 -1.25 -4.56 117.12 113.23 1b8u n MET 30 Ca -0.01 0.26 0.02 0.00 -0.27 0.00 0.00 57.70 57.70 1b8u n MET 30 Cb 0.36 -1.78 0.03 0.00 2.15 0.00 0.00 33.22 33.98 1b8u n MET 30 CO 0.00 0.00 0.00 1.28 -0.73 0.00 0.00 175.97 176.52 1b8u n LEU 31 N -2.99 1.00 0.00 -0.89 4.77 -1.25 -3.24 117.00 114.40 1b8u n LEU 31 Ca -0.16 -1.42 0.00 0.00 -0.03 0.00 0.00 56.01 54.40 1b8u n LEU 31 Cb 1.01 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 42.01 1b8u n LEU 31 CO 0.44 0.34 0.00 0.61 -1.33 0.00 0.00 177.39 177.45 1b8u n GLY 32 N -0.44 2.50 0.13 -0.72 0.00 -1.03 -4.65 105.19 100.98 1b8u n GLY 32 Ca 0.03 -1.82 0.13 0.00 0.00 0.00 0.00 46.02 44.36 1b8u n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1b8u h LYS 33 N 0.00 0.00 -0.68 1.61 1.79 -1.91 -3.15 116.57 114.23 1b8u h LYS 33 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1b8u h LYS 33 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1b8u h LYS 33 CO 0.00 0.00 0.00 -0.40 -1.08 0.00 0.00 179.45 177.97 1b8u n ASP 34 N -2.39 4.35 -4.13 0.86 5.75 -1.26 -4.88 116.55 114.85 1b8u n ASP 34 Ca 0.05 -2.23 -0.34 0.00 -0.01 0.00 0.00 54.79 52.25 1b8u n ASP 34 Cb 0.41 -0.53 -0.14 0.00 -1.03 0.00 0.00 41.12 39.83 1b8u n ASP 34 CO 0.00 0.00 0.00 -1.58 -0.11 0.00 0.00 177.20 175.51 1b8u s GLN 35 N -1.43 2.21 0.67 0.11 2.00 -1.19 -4.01 119.66 118.02 1b8u s GLN 35 Ca 0.50 -1.46 -0.15 0.00 -2.00 0.00 0.00 55.36 52.25 1b8u s GLN 35 Cb 0.29 -3.22 0.01 0.00 0.80 0.00 0.00 33.01 30.88 1b8u s GLN 35 CO 0.29 -0.74 1.12 -2.14 -0.50 0.00 0.00 175.29 173.32 1b8u s PRO 36 N 1.17 2.69 0.04 1.67 0.02 -1.26 -4.87 135.00 134.46 1b8u s PRO 36 Ca -0.01 1.43 0.03 0.00 0.02 0.00 0.00 61.00 62.46 1b8u s PRO 36 Cb -0.20 -1.93 -0.02 0.00 0.02 0.00 0.00 34.50 32.36 1b8u s PRO 36 CO -0.03 -1.34 -0.09 0.14 -0.33 0.00 0.00 177.00 175.35 1b8u s VAL 37 N -2.32 0.71 -0.29 3.83 -7.23 0.11 -2.08 120.40 113.13 1b8u s VAL 37 Ca 0.68 -0.92 -0.03 0.00 -1.81 0.00 0.00 61.98 59.90 1b8u s VAL 37 Cb -0.21 -0.70 0.04 0.00 0.56 0.00 0.00 36.38 36.07 1b8u s VAL 37 CO 0.42 -0.18 0.01 -0.63 -0.31 0.00 0.00 175.10 174.42 1b8u s ILE 38 N -1.00 3.16 0.05 -0.62 1.01 -0.20 -0.90 121.20 122.71 1b8u s ILE 38 Ca -0.04 -1.22 -0.22 0.00 0.00 0.00 0.00 60.65 59.17 1b8u s ILE 38 Cb -0.08 -2.75 -0.06 0.00 0.01 0.00 0.00 42.46 39.58 1b8u s ILE 38 CO 0.01 -0.04 0.66 -0.76 0.00 0.00 0.00 174.94 174.81 1b8u s LEU 39 N 1.31 4.48 -0.38 2.97 1.43 -0.57 -0.18 118.68 127.75 1b8u s LEU 39 Ca -0.03 1.33 0.02 0.00 -1.03 0.00 0.00 54.13 54.42 1b8u s LEU 39 Cb -0.19 -3.05 0.12 0.00 0.03 0.00 0.00 46.19 43.10 1b8u s LEU 39 CO -0.01 0.14 0.15 -1.10 0.23 0.00 0.00 176.35 175.77 1b8u s GLN 40 N -0.55 1.17 0.11 1.70 -0.21 -0.29 -1.79 119.66 119.80 1b8u s GLN 40 Ca 0.33 -1.69 -0.25 0.00 0.02 0.00 0.00 55.36 53.77 1b8u s GLN 40 Cb -0.20 -2.46 -0.07 0.00 1.00 0.00 0.00 33.01 31.28 1b8u s GLN 40 CO 0.20 -1.05 0.75 -0.51 -2.12 0.00 0.00 175.29 172.56 1b8u s LEU 41 N 0.87 4.54 -0.08 2.90 1.43 0.38 -2.04 118.68 126.68 1b8u s LEU 41 Ca 0.13 1.53 0.03 0.00 -1.03 0.00 0.00 54.13 54.79 1b8u s LEU 41 Cb -0.21 -3.23 0.01 0.00 0.03 0.00 0.00 46.19 42.79 1b8u s LEU 41 CO -0.11 0.15 -0.15 -0.22 0.23 0.00 0.00 176.35 176.25 1b8u s LEU 42 N -0.74 1.75 0.21 1.79 2.96 -0.57 0.78 118.68 124.86 1b8u s LEU 42 Ca 0.36 -0.37 0.01 0.00 -0.22 0.00 0.00 54.13 53.90 1b8u s LEU 42 Cb -0.22 -0.99 -0.05 0.00 0.50 0.00 0.00 46.19 45.43 1b8u s LEU 42 CO 0.24 0.06 0.07 -1.61 -1.32 0.00 0.00 176.35 173.79 1b8u s GLU 43 N 0.64 1.24 0.73 1.98 0.41 -1.19 -0.29 118.70 122.21 1b8u s GLU 43 Ca -0.14 -1.64 -0.15 0.00 -0.41 0.00 0.00 54.97 52.63 1b8u s GLU 43 Cb -0.16 -0.12 0.04 0.00 -1.78 0.00 0.00 34.13 32.11 1b8u s GLU 43 CO 0.04 -0.26 1.18 0.96 -0.49 0.00 0.00 175.26 176.69 1b8u s ILE 44 N -3.83 2.55 -1.76 -1.63 -4.36 -1.26 -4.41 121.20 106.50 1b8u s ILE 44 Ca 0.33 0.26 0.11 0.00 -0.26 0.00 0.00 60.65 61.08 1b8u s ILE 44 Cb 0.07 -2.78 0.26 0.00 1.25 0.00 0.00 42.46 41.27 1b8u s ILE 44 CO 0.09 -0.16 1.16 -0.81 0.24 0.00 0.00 174.94 175.46 1b8u n PRO 45 N -2.76 0.27 -1.90 0.37 -0.04 -1.26 -4.33 135.00 125.35 1b8u n PRO 45 Ca 0.12 0.08 -0.39 0.00 -0.04 0.00 0.00 63.50 63.27 1b8u n PRO 45 Cb 0.51 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.48 1b8u n PRO 45 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1b8u s ASN 46 N -2.24 5.83 0.28 3.54 0.01 -1.26 -4.84 114.94 116.26 1b8u s ASN 46 Ca 0.14 2.75 -0.03 0.00 -0.71 0.00 0.00 52.86 55.01 1b8u s ASN 46 Cb 0.07 -2.64 0.39 0.00 0.41 0.00 0.00 41.25 39.49 1b8u s ASN 46 CO 0.14 -1.19 1.95 1.05 -1.51 0.00 0.00 177.10 177.54 1b8u h GLU 47 N 2.12 1.16 -0.05 -0.60 4.11 -1.99 -1.14 114.58 118.19 1b8u h GLU 47 Ca -0.50 -0.07 -0.09 0.00 0.07 0.00 0.00 59.36 58.76 1b8u h GLU 47 Cb 1.27 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 30.25 1b8u h GLU 47 CO 0.60 0.77 -0.39 -0.22 0.07 0.00 0.00 179.01 179.83 1b8u h LYS 48 N 1.19 0.10 0.02 1.06 3.64 -1.96 0.20 116.57 120.82 1b8u h LYS 48 Ca 0.33 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.67 1b8u h LYS 48 Cb -0.11 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.71 1b8u h LYS 48 CO -0.08 0.48 -0.01 0.00 -2.27 0.00 0.00 179.45 177.57 1b8u h ALA 49 N 1.52 -0.02 -0.43 5.00 0.00 -1.73 -2.61 119.26 120.98 1b8u h ALA 49 Ca 0.01 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.51 1b8u h ALA 49 Cb 0.74 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 1b8u h ALA 49 CO 0.06 -0.14 0.02 1.96 0.00 0.00 0.00 179.25 181.15 1b8u h GLN 50 N -0.76 0.69 0.05 0.00 1.08 -1.23 0.63 115.11 115.57 1b8u h GLN 50 Ca -0.00 -0.16 -0.00 0.00 -1.45 0.00 0.00 58.65 57.03 1b8u h GLN 50 Cb 0.71 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 28.05 1b8u h GLN 50 CO 0.00 0.69 -0.03 0.87 -0.95 0.00 0.00 178.83 179.42 1b8u h LYS 51 N 0.65 -0.07 -0.94 1.46 1.57 -1.02 0.13 116.57 118.35 1b8u h LYS 51 Ca 0.14 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.95 1b8u h LYS 51 Cb 0.37 0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.64 1b8u h LYS 51 CO 0.01 0.02 0.61 0.00 -0.57 0.00 0.00 179.45 179.52 1b8u h ALA 52 N 0.80 1.23 0.00 3.86 0.00 -1.18 -0.36 119.26 123.61 1b8u h ALA 52 Ca -0.01 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1b8u h ALA 52 Cb 0.12 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 1b8u h ALA 52 CO 0.01 0.50 -0.12 1.25 0.00 0.00 0.00 179.25 180.89 1b8u h LEU 53 N 1.20 0.00 -0.05 0.00 5.85 -0.25 -1.36 115.31 120.69 1b8u h LEU 53 Ca 0.37 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 59.02 1b8u h LEU 53 Cb -0.02 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.01 1b8u h LEU 53 CO -0.11 0.12 -0.24 -0.61 -0.34 0.00 0.00 178.44 177.26 1b8u h GLN 54 N 0.00 0.25 -0.96 1.25 5.75 0.89 -2.82 115.11 119.47 1b8u h GLN 54 Ca -0.00 -0.20 0.02 0.00 -0.15 0.00 0.00 58.65 58.31 1b8u h GLN 54 Cb 0.31 0.04 -0.05 0.00 1.07 0.00 0.00 27.48 28.85 1b8u h GLN 54 CO 0.02 0.85 0.63 0.78 -2.65 0.00 0.00 178.83 178.46 1b8u h GLY 55 N -0.29 1.37 1.06 2.39 0.00 -0.56 -1.13 103.07 105.90 1b8u h GLY 55 Ca -0.01 -0.50 -0.06 0.00 0.00 0.00 0.00 47.33 46.76 1b8u h GLY 55 CO 0.05 0.47 0.24 -2.08 0.00 0.00 0.00 176.54 175.22 1b8u h VAL 56 N 1.28 1.26 -0.59 4.60 2.07 -1.32 -1.23 116.25 122.32 1b8u h VAL 56 Ca 0.36 -0.91 -0.07 0.00 0.82 0.00 0.00 66.70 66.91 1b8u h VAL 56 Cb -0.11 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 30.06 1b8u h VAL 56 CO -0.09 0.36 0.11 0.24 0.02 0.00 0.00 177.57 178.21 1b8u h MET 57 N 1.12 0.95 -0.52 1.57 2.07 -1.15 -0.22 114.93 118.74 1b8u h MET 57 Ca 0.24 -0.22 -0.03 0.00 -2.07 0.00 0.00 59.70 57.62 1b8u h MET 57 Cb 0.30 -0.13 -0.03 0.00 -1.87 0.00 0.00 31.60 29.88 1b8u h MET 57 CO -0.01 0.87 0.20 0.52 1.07 0.00 0.00 176.91 179.56 1b8u h MET 58 N 0.90 0.76 -0.22 1.72 2.86 -0.66 -2.20 114.93 118.08 1b8u h MET 58 Ca 0.19 -0.11 -0.18 0.00 -2.06 0.00 0.00 59.70 57.53 1b8u h MET 58 Cb 0.37 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 31.90 1b8u h MET 58 CO 0.01 0.63 -0.57 0.93 1.06 0.00 0.00 176.91 178.97 1b8u h GLU 59 N 0.75 0.78 -0.72 1.72 5.08 -0.65 -2.26 114.58 119.28 1b8u h GLU 59 Ca 0.18 -0.54 -0.01 0.00 -1.00 0.00 0.00 59.36 57.98 1b8u h GLU 59 Cb 0.17 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 1b8u h GLU 59 CO -0.02 1.17 0.40 0.82 -1.00 0.00 0.00 179.01 180.38 1b8u h ILE 60 N 0.52 1.21 -0.52 3.13 2.04 -0.76 -2.06 117.51 121.07 1b8u h ILE 60 Ca -0.01 -0.51 -0.12 0.00 1.00 0.00 0.00 64.86 65.22 1b8u h ILE 60 Cb 1.19 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 37.48 1b8u h ILE 60 CO 0.12 0.23 -0.16 0.44 0.00 0.00 0.00 178.15 178.78 1b8u h ASP 61 N 1.00 1.04 0.01 1.72 3.32 -1.39 -2.94 116.42 119.18 1b8u h ASP 61 Ca 0.26 -0.37 0.00 0.00 0.02 0.00 0.00 57.03 56.93 1b8u h ASP 61 Cb 0.01 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.27 1b8u h ASP 61 CO -0.04 1.17 0.00 0.47 -1.72 0.00 0.00 179.24 179.12 1b8u n ASP 62 N -4.13 0.00 -0.21 6.45 8.00 -0.78 -1.16 116.55 124.72 1b8u n ASP 62 Ca 0.01 -0.06 0.09 0.00 0.71 0.00 0.00 54.79 55.54 1b8u n ASP 62 Cb 0.43 -0.04 -0.05 0.00 -0.02 0.00 0.00 41.12 41.44 1b8u n ASP 62 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1b8u n ALA 64 N -0.75 -1.95 -2.12 0.00 0.00 -0.31 -4.90 120.51 110.49 1b8u n ALA 64 Ca 0.06 -0.20 -0.43 0.00 0.00 0.00 0.00 53.44 52.87 1b8u n ALA 64 Cb 0.34 -1.86 -0.03 0.00 0.00 0.00 0.00 19.45 17.90 1b8u n ALA 64 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1b8u s PHE 65 N -3.80 2.11 0.05 0.00 0.08 -1.26 -4.90 117.98 110.26 1b8u s PHE 65 Ca 0.06 0.56 0.32 0.00 0.12 0.00 0.00 56.93 58.00 1b8u s PHE 65 Cb -0.03 -4.00 1.51 0.00 -0.57 0.00 0.00 43.02 39.93 1b8u s PHE 65 CO 0.86 -2.88 1.96 -1.00 -0.10 0.00 0.00 175.22 174.07 1b8u h PRO 66 N 10.82 0.00 0.00 0.24 0.13 -1.90 -2.85 132.00 138.44 1b8u h PRO 66 Ca -0.33 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.79 1b8u h PRO 66 Cb 1.15 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 1b8u h PRO 66 CO 1.01 0.00 -0.66 -0.07 -0.23 0.00 0.00 178.00 178.05 1b8u h LEU 67 N 0.00 0.00 -8.24 1.56 3.38 -1.91 -3.44 115.31 106.66 1b8u h LEU 67 Ca 0.00 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.61 1b8u h LEU 67 Cb 0.27 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.96 1b8u h LEU 67 CO 0.00 0.04 0.90 -0.22 0.09 0.00 0.00 178.44 179.25 1b8u s LEU 68 N -5.71 3.22 0.00 1.67 2.96 -1.08 -0.71 118.68 119.03 1b8u s LEU 68 Ca 0.02 -0.68 0.22 0.00 -0.22 0.00 0.00 54.13 53.46 1b8u s LEU 68 Cb 0.08 -2.56 1.30 0.00 0.50 0.00 0.00 46.19 45.51 1b8u s LEU 68 CO 0.75 -2.53 1.83 0.00 -1.32 0.00 0.00 176.35 175.08 1b8u n ALA 69 N 13.11 2.62 0.00 5.97 0.00 -0.08 -4.91 120.51 137.22 1b8u n ALA 69 Ca 0.37 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1b8u n ALA 69 Cb 0.48 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.58 1b8u n ALA 69 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1b8u n GLY 70 N 0.83 2.07 3.47 0.00 0.00 -1.21 -4.91 105.19 105.43 1b8u n GLY 70 Ca 0.16 -0.78 0.01 0.00 0.00 0.00 0.00 46.02 45.41 1b8u n GLY 70 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1b8u s MET 71 N -2.00 0.38 0.07 1.61 0.00 -1.25 -1.51 119.30 116.61 1b8u s MET 71 Ca 0.00 0.96 0.06 0.00 0.00 0.00 0.00 55.69 56.71 1b8u s MET 71 Cb 0.00 0.58 -0.03 0.00 0.00 0.00 0.00 34.83 35.38 1b8u s MET 71 CO 0.00 -0.14 -0.15 0.95 0.00 0.00 0.00 175.02 175.68 1b8u s THR 72 N 2.60 1.23 -0.08 10.11 -4.23 -0.74 -4.99 115.64 119.53 1b8u s THR 72 Ca -0.03 -1.29 -0.03 0.00 -1.18 0.00 0.00 61.69 59.16 1b8u s THR 72 Cb -0.08 -1.15 -0.04 0.00 1.34 0.00 0.00 72.50 72.57 1b8u s THR 72 CO -0.18 -0.14 0.06 0.00 -0.54 0.00 0.00 174.62 173.82 1b8u s ALA 73 N -1.16 3.52 0.28 3.99 0.00 -1.26 -0.47 121.76 126.66 1b8u s ALA 73 Ca 0.00 -0.76 0.03 0.00 0.00 0.00 0.00 51.96 51.24 1b8u s ALA 73 Cb -0.10 -1.65 -0.06 0.00 0.00 0.00 0.00 23.12 21.31 1b8u s ALA 73 CO 0.02 0.61 0.03 -1.01 0.00 0.00 0.00 175.76 175.42 1b8u s HIS 74 N -0.98 1.76 0.00 0.00 3.76 0.23 -4.92 115.29 115.14 1b8u s HIS 74 Ca 0.15 -0.96 0.00 0.00 -0.15 0.00 0.00 55.06 54.10 1b8u s HIS 74 Cb -0.12 -1.08 0.00 0.00 1.11 0.00 0.00 32.58 32.50 1b8u s HIS 74 CO 0.05 -0.04 0.05 0.00 -0.85 0.00 0.00 174.74 173.94 1b8u n ALA 75 N -0.55 0.70 -3.35 -1.40 0.00 -1.26 -3.20 120.51 111.45 1b8u n ALA 75 Ca -0.03 -0.05 -0.30 0.00 0.00 0.00 0.00 53.44 53.06 1b8u n ALA 75 Cb 0.65 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.94 1b8u n ALA 75 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1b8u s ASP 76 N -0.22 2.69 0.34 0.00 2.15 -1.26 -4.42 116.67 115.95 1b8u s ASP 76 Ca 0.00 -0.48 0.07 0.00 0.43 0.00 0.00 52.55 52.57 1b8u s ASP 76 Cb 0.00 -1.23 0.63 0.00 -0.30 0.00 0.00 42.92 42.01 1b8u s ASP 76 CO 0.00 0.11 1.83 1.55 -0.17 0.00 0.00 175.17 178.49 1b8u h PRO 77 N 6.87 0.29 -0.59 4.34 0.13 -1.95 -1.09 132.00 140.00 1b8u h PRO 77 Ca -0.24 -0.09 0.08 0.00 -0.87 0.00 0.00 66.00 64.88 1b8u h PRO 77 Cb 1.22 -0.03 -0.04 0.00 0.13 0.00 0.00 31.00 32.28 1b8u h PRO 77 CO 0.48 0.50 0.39 1.98 -0.23 0.00 0.00 178.00 181.12 1b8u h MET 78 N 0.27 0.46 0.05 0.86 4.05 -1.93 0.74 114.93 119.43 1b8u h MET 78 Ca 0.05 -0.03 -0.36 0.00 -0.28 0.00 0.00 59.70 59.08 1b8u h MET 78 Cb 0.53 -0.10 -0.04 0.00 -0.80 0.00 0.00 31.60 31.18 1b8u h MET 78 CO 0.04 0.30 -2.12 0.25 0.23 0.00 0.00 176.91 175.60 1b8u n THR 79 N -4.47 1.63 0.26 -0.77 -2.24 -1.11 -4.19 114.28 103.38 1b8u n THR 79 Ca 0.09 -0.68 0.12 0.00 -2.27 0.00 0.00 64.05 61.31 1b8u n THR 79 Cb 0.31 -1.38 0.69 0.00 -2.10 0.00 0.00 70.33 67.85 1b8u n THR 79 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1b8u h ALA 80 N 0.32 1.24 -0.01 6.98 0.00 -0.84 -2.75 119.26 124.21 1b8u h ALA 80 Ca -0.46 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1b8u h ALA 80 Cb 2.02 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.79 1b8u h ALA 80 CO 0.03 0.17 -0.33 1.19 0.00 0.00 0.00 179.25 180.31 1b8u n PHE 81 N -3.59 0.00 -1.70 0.00 3.72 0.22 -4.72 117.46 111.39 1b8u n PHE 81 Ca -0.01 0.00 -0.55 0.00 -0.05 0.00 0.00 57.45 56.83 1b8u n PHE 81 Cb 0.27 -0.15 -0.07 0.00 -0.94 0.00 0.00 39.48 38.59 1b8u n PHE 81 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 1b8u n LYS 82 N -0.86 1.41 -3.09 -1.08 0.00 -1.04 -1.82 118.16 111.68 1b8u n LYS 82 Ca 0.10 0.51 -0.20 0.00 0.00 0.00 0.00 58.31 58.73 1b8u n LYS 82 Cb 0.35 -2.25 -0.00 0.00 0.00 0.00 0.00 35.03 33.12 1b8u n LYS 82 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1b8u n ASP 83 N 5.89 -3.97 -4.71 3.14 8.00 -0.48 -4.93 116.55 119.49 1b8u n ASP 83 Ca 0.26 -0.22 -0.42 0.00 0.71 0.00 0.00 54.79 55.12 1b8u n ASP 83 Cb 0.17 -3.30 -0.03 0.00 -0.02 0.00 0.00 41.12 37.94 1b8u n ASP 83 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1b8u s ALA 84 N -2.86 3.32 -0.02 2.24 0.00 -0.76 -4.59 121.76 119.09 1b8u s ALA 84 Ca 0.28 0.76 0.11 0.00 0.00 0.00 0.00 51.96 53.11 1b8u s ALA 84 Cb -0.15 -3.41 -0.23 0.00 0.00 0.00 0.00 23.12 19.33 1b8u s ALA 84 CO 0.35 -0.37 0.77 -0.44 0.00 0.00 0.00 175.76 176.06 1b8u h ASP 85 N 6.80 0.02 -4.13 0.00 3.32 -1.40 -1.94 116.42 119.10 1b8u h ASP 85 Ca -0.41 -0.04 -0.27 0.00 0.02 0.00 0.00 57.03 56.33 1b8u h ASP 85 Cb 1.22 -0.01 -0.26 0.00 0.22 0.00 0.00 39.33 40.50 1b8u h ASP 85 CO 0.79 1.03 -0.73 -0.69 -1.72 0.00 0.00 179.24 177.92 1b8u s VAL 86 N -2.62 0.26 -0.08 -1.35 1.01 -1.17 -0.93 120.40 115.52 1b8u s VAL 86 Ca -0.04 -0.38 -0.01 0.00 0.00 0.00 0.00 61.98 61.54 1b8u s VAL 86 Cb 0.08 -0.27 0.03 0.00 0.00 0.00 0.00 36.38 36.22 1b8u s VAL 86 CO 0.82 -0.08 -0.01 0.00 0.00 0.00 0.00 175.10 175.83 1b8u s ALA 87 N -0.47 0.79 -0.37 5.51 0.00 0.82 -1.55 121.76 126.49 1b8u s ALA 87 Ca -0.03 -0.20 -0.12 0.00 0.00 0.00 0.00 51.96 51.61 1b8u s ALA 87 Cb -0.04 -0.78 0.02 0.00 0.00 0.00 0.00 23.12 22.32 1b8u s ALA 87 CO -0.00 -0.48 0.22 -0.51 0.00 0.00 0.00 175.76 174.98 1b8u s LEU 88 N 1.94 4.73 -0.96 0.00 1.02 -0.44 -1.19 118.68 123.78 1b8u s LEU 88 Ca 0.05 -0.93 -0.15 0.00 0.02 0.00 0.00 54.13 53.11 1b8u s LEU 88 Cb -0.12 -2.05 0.18 0.00 0.02 0.00 0.00 46.19 44.22 1b8u s LEU 88 CO -0.06 -0.38 1.05 -0.76 0.02 0.00 0.00 176.35 176.23 1b8u s LEU 89 N 1.58 5.78 -0.07 1.79 1.02 0.20 -1.24 118.68 127.75 1b8u s LEU 89 Ca 0.03 -2.59 0.14 0.00 0.02 0.00 0.00 54.13 51.73 1b8u s LEU 89 Cb -0.19 -2.31 -0.23 0.00 0.02 0.00 0.00 46.19 43.48 1b8u s LEU 89 CO 0.07 -0.76 0.55 0.52 0.02 0.00 0.00 176.35 176.75 1b8u n VAL 90 N 4.52 1.52 -2.47 -1.59 0.31 -1.25 -0.66 118.33 118.71 1b8u n VAL 90 Ca 0.23 -0.80 -0.41 0.00 -0.01 0.00 0.00 64.34 63.34 1b8u n VAL 90 Cb 0.46 -0.89 -0.04 0.00 -0.91 0.00 0.00 33.84 32.47 1b8u n VAL 90 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1b8u s GLY 91 N -5.16 2.78 0.11 2.92 0.00 -1.22 -3.30 107.32 103.45 1b8u s GLY 91 Ca -0.06 0.85 -0.24 0.00 0.00 0.00 0.00 44.72 45.28 1b8u s GLY 91 CO 0.83 1.73 0.59 0.00 0.00 0.00 0.00 173.10 176.24 1b8u s ALA 92 N -0.12 -1.55 -0.15 3.20 0.00 -1.26 -4.69 121.76 117.18 1b8u s ALA 92 Ca 0.51 0.59 -0.29 0.00 0.00 0.00 0.00 51.96 52.76 1b8u s ALA 92 Cb -0.30 0.69 -0.01 0.00 0.00 0.00 0.00 23.12 23.50 1b8u s ALA 92 CO 0.35 -0.67 1.15 0.50 0.00 0.00 0.00 175.76 177.09 1b8u s ARG 93 N -3.23 4.29 0.43 0.00 6.06 -1.26 -4.98 118.95 120.25 1b8u s ARG 93 Ca -0.01 1.54 -0.23 0.00 -2.50 0.00 0.00 55.73 54.52 1b8u s ARG 93 Cb -0.01 -3.66 -0.08 0.00 0.06 0.00 0.00 34.95 31.27 1b8u s ARG 93 CO -0.08 -0.58 1.09 -1.25 -2.50 0.00 0.00 175.30 171.98 1b8u s PRO 94 N 2.94 4.00 -0.93 5.12 0.04 -1.26 -4.86 135.00 140.05 1b8u s PRO 94 Ca 0.51 1.59 -0.24 0.00 0.04 0.00 0.00 61.00 62.89 1b8u s PRO 94 Cb -0.20 -2.46 0.03 0.00 0.04 0.00 0.00 34.50 31.91 1b8u s PRO 94 CO 0.14 -0.30 1.52 0.50 0.04 0.00 0.00 177.00 178.90 1b8u s ARG 95 N -2.62 3.29 0.59 4.56 3.52 -1.26 -4.98 118.95 122.05 1b8u s ARG 95 Ca 0.60 -0.73 -0.10 0.00 -0.13 0.00 0.00 55.73 55.37 1b8u s ARG 95 Cb -0.24 -5.05 0.14 0.00 -1.56 0.00 0.00 34.95 28.25 1b8u s ARG 95 CO 0.29 -2.42 0.69 0.41 -0.81 0.00 0.00 175.30 173.46 1b8u n GLY 96 N 6.55 -1.81 3.68 8.12 0.00 -1.26 -4.88 105.19 115.59 1b8u n GLY 96 Ca 0.28 -1.61 -0.43 0.00 0.00 0.00 0.00 46.02 44.26 1b8u n GLY 96 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1b8u n PRO 97 N -2.84 2.78 0.00 1.61 -0.02 -1.26 -1.72 135.00 133.55 1b8u n PRO 97 Ca 0.09 1.01 0.00 0.00 -2.02 0.00 0.00 63.50 62.58 1b8u n PRO 97 Cb 0.32 -2.93 0.00 0.00 -0.02 0.00 0.00 33.50 30.87 1b8u n PRO 97 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1b8u n GLY 98 N 4.35 1.41 3.57 -1.23 0.00 -1.26 -5.01 105.19 107.02 1b8u n GLY 98 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 1b8u n GLY 98 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1b8u s MET 99 N -0.58 3.08 0.84 1.61 -1.94 -0.70 -4.99 119.30 116.62 1b8u s MET 99 Ca 0.00 0.64 -0.11 0.00 -1.71 0.00 0.00 55.69 54.51 1b8u s MET 99 Cb 0.00 -4.23 0.10 0.00 2.01 0.00 0.00 34.83 32.71 1b8u s MET 99 CO 0.00 -2.20 1.09 -1.21 -0.01 0.00 0.00 175.02 172.70 1b8u s GLU 100 N 6.05 1.69 0.40 2.03 2.02 -1.26 -4.79 118.70 124.84 1b8u s GLU 100 Ca 0.61 0.74 0.17 0.00 0.02 0.00 0.00 54.97 56.51 1b8u s GLU 100 Cb -0.13 -1.87 1.06 0.00 0.10 0.00 0.00 34.13 33.29 1b8u s GLU 100 CO 0.25 -1.92 1.82 -0.09 0.02 0.00 0.00 175.26 175.34 1b8u h ARG 101 N -1.31 0.42 -0.05 1.61 2.43 -2.00 0.21 114.38 115.69 1b8u h ARG 101 Ca -0.48 -0.03 -0.13 0.00 -0.81 0.00 0.00 59.98 58.54 1b8u h ARG 101 Cb 1.27 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.72 1b8u h ARG 101 CO 0.57 0.28 -0.55 1.57 -1.51 0.00 0.00 179.97 180.33 1b8u h LYS 102 N 0.44 0.14 -0.05 0.20 2.10 -2.00 -2.36 116.57 115.04 1b8u h LYS 102 Ca 0.52 -0.08 -0.13 0.00 -2.00 0.00 0.00 60.65 58.95 1b8u h LYS 102 Cb 1.25 0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 32.58 1b8u h LYS 102 CO -0.22 0.65 -0.55 -0.44 -2.00 0.00 0.00 179.45 176.89 1b8u h ASP 103 N 0.11 0.15 0.58 7.07 3.32 -0.95 -2.51 116.42 124.19 1b8u h ASP 103 Ca -0.00 -0.08 -0.03 0.00 0.02 0.00 0.00 57.03 56.94 1b8u h ASP 103 Cb 1.01 -0.04 0.01 0.00 0.22 0.00 0.00 39.33 40.52 1b8u h ASP 103 CO 0.08 0.68 -0.28 0.25 -1.72 0.00 0.00 179.24 178.25 1b8u h LEU 104 N 0.11 -0.66 -1.04 1.55 5.85 -1.12 -2.30 115.31 117.69 1b8u h LEU 104 Ca -0.00 0.02 0.18 0.00 0.84 0.00 0.00 57.88 58.92 1b8u h LEU 104 Cb 1.01 0.17 -0.10 0.00 0.37 0.00 0.00 40.66 42.11 1b8u h LEU 104 CO 0.08 -0.26 0.62 -0.07 -0.34 0.00 0.00 178.44 178.47 1b8u h LEU 105 N -1.20 0.79 -0.32 2.25 4.07 -1.49 -0.44 115.31 118.97 1b8u h LEU 105 Ca -0.08 0.08 -0.07 0.00 0.08 0.00 0.00 57.88 57.89 1b8u h LEU 105 Cb 0.60 -0.06 -0.01 0.00 1.08 0.00 0.00 40.66 42.26 1b8u h LEU 105 CO 0.13 0.32 -0.07 -0.08 -1.08 0.00 0.00 178.44 177.65 1b8u h GLU 106 N 0.79 0.62 0.24 1.13 4.22 -1.50 -0.12 114.58 119.97 1b8u h GLU 106 Ca 0.55 -0.24 -0.01 0.00 0.08 0.00 0.00 59.36 59.75 1b8u h GLU 106 Cb 0.83 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.04 1b8u h GLU 106 CO -0.34 0.80 -0.11 0.00 -2.18 0.00 0.00 179.01 177.17 1b8u h ALA 107 N 0.81 -0.32 0.00 2.92 0.00 -0.75 -2.92 119.26 119.00 1b8u h ALA 107 Ca 0.08 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1b8u h ALA 107 Cb 0.57 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1b8u h ALA 107 CO 0.03 -0.58 -0.21 -0.91 0.00 0.00 0.00 179.25 177.58 1b8u h ASN 108 N -0.51 0.00 -0.42 0.00 4.21 -1.17 -2.80 115.58 114.89 1b8u h ASN 108 Ca -0.03 0.00 -0.08 0.00 1.21 0.00 0.00 56.30 57.40 1b8u h ASN 108 Cb 0.38 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.57 1b8u h ASN 108 CO 0.05 0.21 -0.04 0.00 -1.29 0.00 0.00 177.43 176.36 1b8u h ALA 109 N 1.79 0.57 0.00 -0.83 0.00 -0.96 -1.94 119.26 117.89 1b8u h ALA 109 Ca -0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1b8u h ALA 109 Cb 0.61 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1b8u h ALA 109 CO 0.03 0.39 0.00 1.96 0.00 0.00 0.00 179.25 181.63 1b8u h GLN 110 N 0.59 0.00 0.14 0.00 4.20 -1.31 -1.01 115.11 117.72 1b8u h GLN 110 Ca 0.11 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.63 1b8u h GLN 110 Cb 0.55 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.35 1b8u h GLN 110 CO 0.03 0.00 -0.83 0.82 -0.67 0.00 0.00 178.83 178.18 1b8u h ILE 111 N 0.00 1.51 0.00 2.54 2.04 -1.35 -3.33 117.51 118.92 1b8u h ILE 111 Ca 0.00 -2.53 0.00 0.00 1.00 0.00 0.00 64.86 63.33 1b8u h ILE 111 Cb 0.58 3.18 0.00 0.00 -0.74 0.00 0.00 36.82 39.84 1b8u h ILE 111 CO 0.00 0.72 0.00 -0.26 0.00 0.00 0.00 178.15 178.61 1b8u h PHE 112 N -0.35 0.00 -0.00 1.37 -1.00 -0.78 -1.83 116.94 114.36 1b8u h PHE 112 Ca -0.14 0.00 -0.18 0.00 2.81 0.00 0.00 57.97 60.46 1b8u h PHE 112 Cb 1.65 0.00 0.01 0.00 3.61 0.00 0.00 35.95 41.22 1b8u h PHE 112 CO 0.19 0.00 -0.70 1.79 -1.61 0.00 0.00 178.31 177.98 1b8u h THR 113 N 0.00 1.39 0.00 -1.55 1.35 -1.38 -0.24 112.91 112.49 1b8u h THR 113 Ca 0.00 -2.11 -0.00 0.00 -0.55 0.00 0.00 66.41 63.75 1b8u h THR 113 Cb 0.91 2.53 0.00 0.00 -1.73 0.00 0.00 68.15 69.86 1b8u h THR 113 CO 0.00 0.62 -0.00 0.58 -0.25 0.00 0.00 175.52 176.47 1b8u h VAL 114 N 0.02 1.08 -0.15 6.82 2.07 -1.66 0.11 116.25 124.53 1b8u h VAL 114 Ca -0.09 -0.23 -0.11 0.00 0.82 0.00 0.00 66.70 67.09 1b8u h VAL 114 Cb 1.40 1.24 -0.01 0.00 -1.52 0.00 0.00 31.29 32.39 1b8u h VAL 114 CO 0.14 0.06 -0.37 1.56 0.02 0.00 0.00 177.57 178.98 1b8u h GLN 115 N -0.10 0.33 -0.15 1.57 4.20 -1.41 -2.41 115.11 117.14 1b8u h GLN 115 Ca -0.00 -0.15 -0.13 0.00 0.06 0.00 0.00 58.65 58.43 1b8u h GLN 115 Cb 0.10 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 1b8u h GLN 115 CO 0.00 0.65 -0.47 0.78 -0.67 0.00 0.00 178.83 179.12 1b8u h GLY 116 N 1.14 0.40 1.99 3.46 0.00 -0.76 -2.16 103.07 107.15 1b8u h GLY 116 Ca 0.03 -0.43 -0.17 0.00 0.00 0.00 0.00 47.33 46.77 1b8u h GLY 116 CO 0.06 0.38 -0.78 0.50 0.00 0.00 0.00 176.54 176.70 1b8u h LYS 117 N 0.30 0.01 -0.15 4.80 1.57 -0.64 -2.44 116.57 120.02 1b8u h LYS 117 Ca 0.02 -0.01 -0.18 0.00 -1.87 0.00 0.00 60.65 58.61 1b8u h LYS 117 Cb 0.95 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.27 1b8u h LYS 117 CO 0.08 0.79 -0.62 0.00 -0.57 0.00 0.00 179.45 179.13 1b8u h ALA 118 N 1.21 0.27 -0.29 3.86 0.00 -1.36 -1.51 119.26 121.45 1b8u h ALA 118 Ca -0.01 -0.54 -0.01 0.00 0.00 0.00 0.00 54.91 54.35 1b8u h ALA 118 Cb 1.39 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 1b8u h ALA 118 CO 0.10 0.54 0.13 0.82 0.00 0.00 0.00 179.25 180.84 1b8u h ILE 119 N 0.36 1.16 -0.81 0.00 2.04 -1.45 0.08 117.51 118.88 1b8u h ILE 119 Ca -0.04 -0.46 0.15 0.00 1.00 0.00 0.00 64.86 65.51 1b8u h ILE 119 Cb 1.25 0.94 -0.10 0.00 -0.74 0.00 0.00 36.82 38.17 1b8u h ILE 119 CO 0.13 0.16 0.38 -0.78 0.00 0.00 0.00 178.15 178.04 1b8u h ASP 120 N 0.32 0.42 0.01 1.72 3.58 -1.43 -1.59 116.42 119.46 1b8u h ASP 120 Ca 0.10 0.10 -0.00 0.00 0.42 0.00 0.00 57.03 57.65 1b8u h ASP 120 Cb 0.14 0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.23 1b8u h ASP 120 CO -0.01 0.16 -0.00 0.00 -2.88 0.00 0.00 179.24 176.50 1b8u h ALA 121 N 1.56 -0.01 0.00 -0.78 0.00 -0.83 -3.43 119.26 115.77 1b8u h ALA 121 Ca 0.45 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1b8u h ALA 121 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1b8u h ALA 121 CO -0.39 -0.07 -0.81 1.33 0.00 0.00 0.00 179.25 179.31 1b8u n VAL 122 N -4.69 0.00 -1.16 0.00 0.24 -0.02 -5.04 118.33 107.66 1b8u n VAL 122 Ca -0.09 -0.26 -0.30 0.00 -2.04 0.00 0.00 64.34 61.65 1b8u n VAL 122 Cb 0.40 0.70 0.23 0.00 -1.47 0.00 0.00 33.84 33.69 1b8u n VAL 122 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1b8u s ALA 123 N -2.09 0.77 0.64 2.33 0.00 -0.60 -1.38 121.76 121.43 1b8u s ALA 123 Ca 0.00 -0.92 -0.18 0.00 0.00 0.00 0.00 51.96 50.86 1b8u s ALA 123 Cb 0.05 -2.89 -0.01 0.00 0.00 0.00 0.00 23.12 20.27 1b8u s ALA 123 CO 0.32 -3.43 1.23 0.45 0.00 0.00 0.00 175.76 174.33 1b8u s SER 124 N -3.94 4.81 0.00 0.00 0.15 -0.73 -4.66 113.70 109.33 1b8u s SER 124 Ca 0.71 2.44 0.07 0.00 0.70 0.00 0.00 55.95 59.86 1b8u s SER 124 Cb -0.10 -2.60 0.32 0.00 -1.71 0.00 0.00 66.02 61.93 1b8u s SER 124 CO 0.56 -1.85 1.15 0.54 1.20 0.00 0.00 173.24 174.84 1b8u n ARG 125 N -1.94 0.05 -2.79 5.44 5.12 -1.26 -2.60 116.66 118.67 1b8u n ARG 125 Ca 0.14 0.31 -0.01 0.00 -1.93 0.00 0.00 57.85 56.36 1b8u n ARG 125 Cb 0.49 -1.50 0.07 0.00 -1.16 0.00 0.00 32.46 30.36 1b8u n ARG 125 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1b8u n ASN 126 N -1.40 0.81 -4.76 0.55 2.85 -1.26 -4.73 115.26 107.32 1b8u n ASN 126 Ca 0.02 -2.10 -0.39 0.00 -0.11 0.00 0.00 54.58 52.00 1b8u n ASN 126 Cb 0.07 -0.19 0.03 0.00 1.24 0.00 0.00 39.78 40.93 1b8u n ASN 126 CO 0.00 0.00 0.00 -0.51 -2.11 0.00 0.00 177.26 174.64 1b8u s ILE 127 N -2.80 2.15 -0.28 -1.44 2.07 -1.07 -4.98 121.20 114.85 1b8u s ILE 127 Ca 0.23 0.12 -0.12 0.00 -1.41 0.00 0.00 60.65 59.46 1b8u s ILE 127 Cb 0.36 -3.06 -0.05 0.00 0.13 0.00 0.00 42.46 39.84 1b8u s ILE 127 CO -0.06 0.00 0.24 -0.54 -1.91 0.00 0.00 174.94 172.67 1b8u s LYS 128 N -2.75 3.96 0.07 3.50 1.02 -0.11 -4.82 119.74 120.62 1b8u s LYS 128 Ca 0.68 -0.24 0.03 0.00 0.02 0.00 0.00 55.97 56.46 1b8u s LYS 128 Cb -0.41 -3.66 -0.04 0.00 -0.52 0.00 0.00 37.83 33.20 1b8u s LYS 128 CO 0.49 -0.21 0.03 0.08 -0.92 0.00 0.00 175.35 174.83 1b8u s VAL 129 N 1.83 4.27 -0.13 3.17 1.01 -0.47 -0.13 120.40 129.96 1b8u s VAL 129 Ca 0.09 -0.82 -0.06 0.00 0.00 0.00 0.00 61.98 61.19 1b8u s VAL 129 Cb -0.16 -3.03 0.05 0.00 0.00 0.00 0.00 36.38 33.25 1b8u s VAL 129 CO 0.11 0.17 0.29 -0.22 0.00 0.00 0.00 175.10 175.44 1b8u s LEU 130 N -2.22 0.14 -0.31 3.92 2.96 -0.33 -2.96 118.68 119.88 1b8u s LEU 130 Ca 0.26 0.63 -0.09 0.00 -0.22 0.00 0.00 54.13 54.72 1b8u s LEU 130 Cb -0.12 0.89 -0.00 0.00 0.50 0.00 0.00 46.19 47.46 1b8u s LEU 130 CO 0.19 -0.19 0.13 -0.69 -1.32 0.00 0.00 176.35 174.47 1b8u s VAL 131 N 1.54 4.43 -0.25 1.68 1.01 -0.03 -0.62 120.40 128.16 1b8u s VAL 131 Ca -0.07 -0.50 -0.09 0.00 0.00 0.00 0.00 61.98 61.32 1b8u s VAL 131 Cb -0.10 -3.27 -0.16 0.00 0.00 0.00 0.00 36.38 32.85 1b8u s VAL 131 CO -0.10 0.07 -0.19 0.52 0.00 0.00 0.00 175.10 175.40 1b8u n VAL 132 N 4.95 1.54 -1.61 2.92 0.31 0.17 -2.05 118.33 124.56 1b8u n VAL 132 Ca -0.14 -0.43 -0.50 0.00 -0.01 0.00 0.00 64.34 63.26 1b8u n VAL 132 Cb 0.49 -1.74 -0.05 0.00 -0.91 0.00 0.00 33.84 31.62 1b8u n VAL 132 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1b8u n GLY 133 N 1.66 0.66 3.85 2.92 0.00 -0.50 -4.48 105.19 109.30 1b8u n GLY 133 Ca -0.47 0.69 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 1b8u n GLY 133 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1b8u s ASN 134 N 0.62 6.72 -0.56 1.61 0.02 -1.26 -2.38 114.94 119.72 1b8u s ASN 134 Ca 0.83 1.39 -0.28 0.00 -1.02 0.00 0.00 52.86 53.78 1b8u s ASN 134 Cb -0.87 -2.42 0.02 0.00 0.02 0.00 0.00 41.25 37.99 1b8u s ASN 134 CO 0.44 -0.35 1.35 -2.16 0.02 0.00 0.00 177.10 176.40 1b8u s PRO 135 N -3.43 3.37 0.15 -0.60 0.04 -1.26 -4.66 135.00 128.61 1b8u s PRO 135 Ca 0.56 0.42 -0.28 0.00 0.04 0.00 0.00 61.00 61.74 1b8u s PRO 135 Cb -0.10 -4.09 -0.06 0.00 0.04 0.00 0.00 34.50 30.29 1b8u s PRO 135 CO 0.22 -1.85 1.45 0.00 0.04 0.00 0.00 177.00 176.87 1b8u n ALA 136 N 9.22 -0.59 0.05 8.56 0.00 -1.00 -0.84 120.51 135.92 1b8u n ALA 136 Ca 0.11 0.78 -0.12 0.00 0.00 0.00 0.00 53.44 54.21 1b8u n ALA 136 Cb 0.49 -0.11 -0.07 0.00 0.00 0.00 0.00 19.45 19.77 1b8u n ALA 136 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1b8u h ASN 137 N 0.00 -0.08 0.65 0.00 4.21 -1.88 -0.00 115.58 118.47 1b8u h ASN 137 Ca 0.15 0.01 -0.06 0.00 1.21 0.00 0.00 56.30 57.61 1b8u h ASN 137 Cb 0.38 0.03 -0.01 0.00 -1.12 0.00 0.00 38.32 37.60 1b8u h ASN 137 CO -0.86 -0.05 -0.29 0.74 -1.29 0.00 0.00 177.43 175.68 1b8u h THR 138 N -0.06 0.82 -0.02 2.81 2.02 -1.83 -1.84 112.91 114.80 1b8u h THR 138 Ca 0.01 -1.16 -0.23 0.00 0.77 0.00 0.00 66.41 65.79 1b8u h THR 138 Cb 0.07 1.71 0.01 0.00 -1.74 0.00 0.00 68.15 68.20 1b8u h THR 138 CO -0.02 0.28 -0.94 0.78 0.37 0.00 0.00 175.52 175.99 1b8u h ASN 139 N 0.00 0.67 0.29 4.18 2.35 -0.62 -2.25 115.58 120.21 1b8u h ASN 139 Ca -0.00 -0.52 -0.08 0.00 -0.55 0.00 0.00 56.30 55.15 1b8u h ASN 139 Cb 0.69 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.84 1b8u h ASN 139 CO 0.04 1.32 -0.34 0.00 -1.65 0.00 0.00 177.43 176.80 1b8u h ALA 140 N 0.64 1.36 -0.05 -0.83 0.00 -0.67 -1.58 119.26 118.13 1b8u h ALA 140 Ca -0.09 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.47 1b8u h ALA 140 Cb 1.58 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.30 1b8u h ALA 140 CO 0.17 0.47 -0.08 -0.92 0.00 0.00 0.00 179.25 178.89 1b8u h TYR 141 N 0.07 0.18 0.35 0.00 3.20 -1.27 -0.62 116.97 118.87 1b8u h TYR 141 Ca 0.01 -0.06 -0.00 0.00 3.14 0.00 0.00 58.73 61.82 1b8u h TYR 141 Cb 0.64 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.84 1b8u h TYR 141 CO 0.00 0.65 -0.47 0.82 -1.64 0.00 0.00 178.16 177.52 1b8u h ILE 142 N -0.35 0.08 -0.59 1.81 2.04 -1.28 0.14 117.51 119.36 1b8u h ILE 142 Ca 0.00 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.97 1b8u h ILE 142 Cb 0.63 0.08 -0.08 0.00 -0.74 0.00 0.00 36.82 36.71 1b8u h ILE 142 CO 0.02 0.00 0.16 0.00 0.00 0.00 0.00 178.15 178.33 1b8u h ALA 143 N -0.59 0.72 -0.13 1.87 0.00 -1.35 0.13 119.26 119.91 1b8u h ALA 143 Ca -0.03 0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.01 1b8u h ALA 143 Cb 0.79 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1b8u h ALA 143 CO -0.13 -0.27 -0.02 1.98 0.00 0.00 0.00 179.25 180.81 1b8u h MET 144 N 0.30 0.02 -0.02 0.00 1.85 -0.65 -2.31 114.93 114.12 1b8u h MET 144 Ca 0.31 -0.00 -0.03 0.00 -0.61 0.00 0.00 59.70 59.36 1b8u h MET 144 Cb 0.43 -0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.45 1b8u h MET 144 CO -0.36 0.01 -0.13 0.87 -0.40 0.00 0.00 176.91 176.90 1b8u h LYS 145 N 0.02 0.03 -0.00 0.39 1.79 0.12 -1.29 116.57 117.63 1b8u h LYS 145 Ca 0.06 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.52 1b8u h LYS 145 Cb 0.08 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.73 1b8u h LYS 145 CO -0.12 0.17 -0.00 0.43 -1.08 0.00 0.00 179.45 178.85 1b8u n SER 146 N -4.36 0.02 -3.29 0.86 7.64 -0.05 -4.23 113.62 110.20 1b8u n SER 146 Ca -0.02 -0.61 -0.26 0.00 1.01 0.00 0.00 58.87 58.99 1b8u n SER 146 Cb 0.21 -0.13 -0.07 0.00 -1.01 0.00 0.00 64.21 63.21 1b8u n SER 146 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1b8u n ALA 147 N -1.12 3.81 0.27 -0.43 0.00 -0.49 -3.87 120.51 118.69 1b8u n ALA 147 Ca 0.19 -4.48 0.15 0.00 0.00 0.00 0.00 53.44 49.31 1b8u n ALA 147 Cb 0.17 -0.86 0.75 0.00 0.00 0.00 0.00 19.45 19.52 1b8u n ALA 147 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1b8u h PRO 148 N 3.90 0.00 0.00 0.00 0.13 -1.73 -2.45 132.00 131.85 1b8u h PRO 148 Ca 0.16 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.18 1b8u h PRO 148 Cb 0.68 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.80 1b8u h PRO 148 CO 0.76 0.00 -0.78 0.66 -0.23 0.00 0.00 178.00 178.41 1b8u h SER 149 N 0.00 0.00 -3.40 1.44 4.64 -1.91 -3.46 113.55 110.85 1b8u h SER 149 Ca 0.00 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.81 1b8u h SER 149 Cb 0.15 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1b8u h SER 149 CO 0.00 0.48 -0.04 -0.76 -0.87 0.00 0.00 176.83 175.65 1b8u s LEU 150 N -6.20 3.97 0.11 5.97 1.43 -0.92 -5.05 118.68 117.97 1b8u s LEU 150 Ca 0.02 0.88 -0.30 0.00 -1.03 0.00 0.00 54.13 53.70 1b8u s LEU 150 Cb 0.08 -3.72 -0.06 0.00 0.03 0.00 0.00 46.19 42.51 1b8u s LEU 150 CO 0.76 -0.28 1.17 -2.84 0.23 0.00 0.00 176.35 175.40 1b8u s PRO 151 N -3.67 4.48 0.21 1.29 0.02 -1.26 -4.95 135.00 131.12 1b8u s PRO 151 Ca 0.47 1.77 -0.11 0.00 0.02 0.00 0.00 61.00 63.14 1b8u s PRO 151 Cb -0.11 -3.32 0.28 0.00 0.02 0.00 0.00 34.50 31.38 1b8u s PRO 151 CO 0.30 -0.15 1.68 0.00 -0.33 0.00 0.00 177.00 178.50 1b8u h ALA 152 N 6.17 0.61 0.00 -1.55 0.00 -1.92 -1.30 119.26 121.28 1b8u h ALA 152 Ca -0.43 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1b8u h ALA 152 Cb 1.21 0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.29 1b8u h ALA 152 CO 0.78 -0.37 0.35 1.57 0.00 0.00 0.00 179.25 181.58 1b8u h LYS 153 N 0.15 0.00 0.00 0.00 2.10 -1.92 0.36 116.57 117.26 1b8u h LYS 153 Ca 0.31 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.96 1b8u h LYS 153 Cb 0.49 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.82 1b8u h LYS 153 CO -0.48 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.06 1b8u n ASN 154 N -2.54 0.00 -4.31 7.07 3.02 -0.49 -4.58 115.26 113.43 1b8u n ASN 154 Ca -0.01 0.26 -0.46 0.00 -0.03 0.00 0.00 54.58 54.34 1b8u n ASN 154 Cb 0.39 -0.42 -0.05 0.00 -0.61 0.00 0.00 39.78 39.09 1b8u n ASN 154 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1b8u s PHE 155 N -2.83 3.25 0.39 3.10 0.40 0.13 -1.37 117.98 121.04 1b8u s PHE 155 Ca 0.18 -1.28 0.08 0.00 -0.60 0.00 0.00 56.93 55.30 1b8u s PHE 155 Cb 0.18 -3.79 -0.05 0.00 0.51 0.00 0.00 43.02 39.87 1b8u s PHE 155 CO 0.47 -1.02 0.16 0.95 0.70 0.00 0.00 175.22 176.48 1b8u s THR 156 N 1.60 2.50 0.02 0.64 -4.23 -1.16 -4.25 115.64 110.76 1b8u s THR 156 Ca 0.03 -1.71 0.03 0.00 -1.18 0.00 0.00 61.69 58.86 1b8u s THR 156 Cb -0.30 -2.97 -0.01 0.00 1.34 0.00 0.00 72.50 70.55 1b8u s THR 156 CO 0.03 -0.06 -0.09 0.00 -0.54 0.00 0.00 174.62 173.96 1b8u s ALA 157 N -2.55 0.74 -0.32 3.99 0.00 0.76 -0.85 121.76 123.54 1b8u s ALA 157 Ca 0.40 -0.57 -0.29 0.00 0.00 0.00 0.00 51.96 51.50 1b8u s ALA 157 Cb 0.02 -0.11 0.01 0.00 0.00 0.00 0.00 23.12 23.04 1b8u s ALA 157 CO 0.22 0.12 1.22 1.41 0.00 0.00 0.00 175.76 178.74 1b8u s MET 158 N -0.80 3.95 0.00 0.00 1.75 -0.87 -1.16 119.30 122.16 1b8u s MET 158 Ca -0.01 1.15 0.02 0.00 -1.25 0.00 0.00 55.69 55.61 1b8u s MET 158 Cb -0.06 -3.84 0.02 0.00 2.84 0.00 0.00 34.83 33.79 1b8u s MET 158 CO 0.00 -1.07 0.57 1.28 -0.65 0.00 0.00 175.02 175.15 1b8u n LEU 159 N 7.41 1.18 0.20 4.11 7.99 -1.26 -4.71 117.00 131.91 1b8u n LEU 159 Ca 0.14 -0.99 0.14 0.00 -0.01 0.00 0.00 56.01 55.29 1b8u n LEU 159 Cb 0.47 0.00 0.63 0.00 -0.11 0.00 0.00 43.42 44.41 1b8u n LEU 159 CO 0.62 0.27 0.92 -0.09 -1.51 0.00 0.00 177.39 177.61 1b8u h ARG 160 N 0.46 0.00 0.09 3.23 9.65 -1.87 -1.93 114.38 124.01 1b8u h ARG 160 Ca 0.00 0.00 -0.23 0.00 -1.10 0.00 0.00 59.98 58.65 1b8u h ARG 160 Cb 0.10 0.00 0.02 0.00 -1.39 0.00 0.00 29.97 28.70 1b8u h ARG 160 CO 0.00 0.00 -0.97 1.25 2.80 0.00 0.00 179.97 183.05 1b8u h LEU 161 N 0.00 0.70 -1.13 3.80 5.85 -1.88 -1.91 115.31 120.74 1b8u h LEU 161 Ca 0.00 -0.83 -0.07 0.00 0.84 0.00 0.00 57.88 57.82 1b8u h LEU 161 Cb 0.32 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 1b8u h LEU 161 CO 0.00 1.46 -0.17 0.44 -0.34 0.00 0.00 178.44 179.83 1b8u h ASP 162 N 0.03 0.40 -0.25 1.25 3.32 -1.84 -1.18 116.42 118.15 1b8u h ASP 162 Ca -0.15 -0.11 -0.09 0.00 0.02 0.00 0.00 57.03 56.71 1b8u h ASP 162 Cb 1.68 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 41.12 1b8u h ASP 162 CO 0.19 0.59 -0.19 -0.74 -1.72 0.00 0.00 179.24 177.37 1b8u h HIS 163 N 0.38 0.68 0.00 4.55 2.76 -1.37 -1.65 115.15 120.50 1b8u h HIS 163 Ca 0.07 -0.19 -0.05 0.00 -2.20 0.00 0.00 60.37 58.00 1b8u h HIS 163 Cb 0.52 -0.15 -0.01 0.00 1.55 0.00 0.00 27.41 29.32 1b8u h HIS 163 CO 0.01 0.87 -0.25 -0.91 -1.30 0.00 0.00 177.93 176.35 1b8u h ASN 164 N 0.29 0.00 0.41 3.26 2.35 -1.15 -0.57 115.58 120.18 1b8u h ASN 164 Ca 0.05 0.00 -0.25 0.00 -0.55 0.00 0.00 56.30 55.55 1b8u h ASN 164 Cb 0.73 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.10 1b8u h ASN 164 CO 0.05 0.25 -1.09 0.03 -1.65 0.00 0.00 177.43 175.03 1b8u h ARG 165 N 0.00 0.39 -0.10 0.81 3.08 -1.18 -1.11 114.38 116.27 1b8u h ARG 165 Ca -0.00 -0.50 -0.15 0.00 0.07 0.00 0.00 59.98 59.40 1b8u h ARG 165 Cb 0.88 0.16 -0.01 0.00 0.08 0.00 0.00 29.97 31.08 1b8u h ARG 165 CO 0.03 1.18 -0.57 0.00 -1.07 0.00 0.00 179.97 179.54 1b8u h ALA 166 N 0.63 0.83 -0.24 0.04 0.00 -1.16 -1.35 119.26 118.00 1b8u h ALA 166 Ca -0.11 -0.52 -0.08 0.00 0.00 0.00 0.00 54.91 54.19 1b8u h ALA 166 Cb 1.76 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.45 1b8u h ALA 166 CO 0.19 0.70 -0.21 1.25 0.00 0.00 0.00 179.25 181.18 1b8u h LEU 167 N 0.25 0.43 0.00 0.00 5.85 -1.03 -2.57 115.31 118.23 1b8u h LEU 167 Ca -0.00 -0.13 -0.15 0.00 0.84 0.00 0.00 57.88 58.44 1b8u h LEU 167 Cb 1.08 -0.12 0.01 0.00 0.37 0.00 0.00 40.66 42.01 1b8u h LEU 167 CO 0.09 0.65 -0.60 -1.28 -0.34 0.00 0.00 178.44 176.97 1b8u h SER 168 N 0.39 0.52 -0.68 1.25 0.87 -0.92 -3.16 113.55 111.82 1b8u h SER 168 Ca 0.06 -0.77 -0.01 0.00 -1.23 0.00 0.00 61.79 59.85 1b8u h SER 168 Cb 0.59 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 62.35 1b8u h SER 168 CO 0.04 1.22 0.39 1.56 -0.53 0.00 0.00 176.83 179.51 1b8u h GLN 169 N -0.12 0.94 -0.28 2.24 1.08 -1.19 -1.89 115.11 115.89 1b8u h GLN 169 Ca -0.07 -0.09 -0.18 0.00 -1.45 0.00 0.00 58.65 56.86 1b8u h GLN 169 Cb 1.31 -0.19 0.00 0.00 -0.05 0.00 0.00 27.48 28.55 1b8u h GLN 169 CO 0.12 0.68 -0.52 0.82 -0.95 0.00 0.00 178.83 178.97 1b8u h ILE 170 N 0.95 1.28 -0.32 2.54 2.04 -1.56 -1.67 117.51 120.77 1b8u h ILE 170 Ca 0.25 -1.71 -0.11 0.00 1.00 0.00 0.00 64.86 64.28 1b8u h ILE 170 Cb -0.00 1.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 1b8u h ILE 170 CO -0.04 0.56 -0.26 0.00 0.00 0.00 0.00 178.15 178.41 1b8u h ALA 171 N 0.67 0.95 -0.28 1.87 0.00 -1.48 0.40 119.26 121.39 1b8u h ALA 171 Ca 0.01 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 1b8u h ALA 171 Cb 1.13 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1b8u h ALA 171 CO 0.12 0.61 0.09 0.00 0.00 0.00 0.00 179.25 180.07 1b8u h ALA 172 N 1.15 0.36 -0.16 0.00 0.00 -1.28 0.39 119.26 119.72 1b8u h ALA 172 Ca 0.08 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1b8u h ALA 172 Cb 0.73 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 1b8u h ALA 172 CO 0.06 -0.02 -0.08 -0.22 0.00 0.00 0.00 179.25 178.99 1b8u h LYS 173 N 0.29 0.33 0.00 0.00 1.63 -1.14 -3.22 116.57 114.46 1b8u h LYS 173 Ca 0.09 -0.14 0.00 0.00 -0.85 0.00 0.00 60.65 59.75 1b8u h LYS 173 Cb 0.22 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.84 1b8u h LYS 173 CO -0.00 0.65 -0.03 0.25 -3.45 0.00 0.00 179.45 176.86 1b8u n THR 174 N -4.63 0.26 -1.16 1.00 -2.24 0.12 -4.89 114.28 102.74 1b8u n THR 174 Ca -0.06 -0.13 -0.06 0.00 -2.27 0.00 0.00 64.05 61.54 1b8u n THR 174 Cb 0.30 -0.50 -0.02 0.00 -2.10 0.00 0.00 70.33 68.00 1b8u n THR 174 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1b8u n GLY 175 N 1.41 0.67 3.92 3.38 0.00 0.13 -4.98 105.19 109.72 1b8u n GLY 175 Ca 0.06 -0.13 -0.29 0.00 0.00 0.00 0.00 46.02 45.66 1b8u n GLY 175 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b8u s LYS 176 N -2.08 3.55 0.25 1.61 -0.14 -0.76 -5.00 119.74 117.17 1b8u s LYS 176 Ca 0.00 -0.26 -0.30 0.00 -1.36 0.00 0.00 55.97 54.04 1b8u s LYS 176 Cb 0.00 -2.84 -0.11 0.00 -1.68 0.00 0.00 37.83 33.21 1b8u s LYS 176 CO 0.00 0.41 1.53 -1.25 -0.76 0.00 0.00 175.35 175.28 1b8u s PRO 177 N -3.15 4.20 0.62 -1.68 0.04 -1.26 -4.47 135.00 129.30 1b8u s PRO 177 Ca 0.39 2.43 0.41 0.00 0.04 0.00 0.00 61.00 64.27 1b8u s PRO 177 Cb -0.11 -3.08 2.07 0.00 0.04 0.00 0.00 34.50 33.42 1b8u s PRO 177 CO 0.28 -0.54 2.23 -0.24 0.04 0.00 0.00 177.00 178.77 1b8u h VAL 178 N 3.56 0.00 0.00 -0.36 3.04 -1.90 -1.43 116.25 119.15 1b8u h VAL 178 Ca -0.46 -0.15 -0.01 0.00 -1.01 0.00 0.00 66.70 65.07 1b8u h VAL 178 Cb 1.22 1.13 -0.00 0.00 -2.01 0.00 0.00 31.29 31.63 1b8u h VAL 178 CO 0.81 0.00 -0.05 0.28 -1.01 0.00 0.00 177.57 177.60 1b8u h SER 179 N 0.00 0.00 0.03 3.17 0.02 -1.94 -3.22 113.55 111.61 1b8u h SER 179 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1b8u h SER 179 Cb 0.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.70 1b8u h SER 179 CO 0.00 0.05 -0.38 -1.54 -1.14 0.00 0.00 176.83 173.82 1b8u n SER 180 N -3.14 1.93 -4.64 3.07 3.41 -0.54 -4.91 113.62 108.81 1b8u n SER 180 Ca 0.02 -1.45 -0.43 0.00 -0.26 0.00 0.00 58.87 56.75 1b8u n SER 180 Cb 0.41 0.36 -0.02 0.00 -0.26 0.00 0.00 64.21 64.69 1b8u n SER 180 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1b8u s ILE 181 N -2.42 4.03 0.19 -1.33 1.01 -1.22 -4.18 121.20 117.28 1b8u s ILE 181 Ca 0.21 1.18 0.05 0.00 0.00 0.00 0.00 60.65 62.09 1b8u s ILE 181 Cb 0.19 -3.99 -0.04 0.00 0.01 0.00 0.00 42.46 38.63 1b8u s ILE 181 CO 0.53 -0.35 0.19 -1.61 0.00 0.00 0.00 174.94 173.70 1b8u s GLU 182 N 4.17 3.03 -1.37 2.79 8.01 0.19 -4.72 118.70 130.80 1b8u s GLU 182 Ca 0.60 -0.87 0.00 0.00 0.01 0.00 0.00 54.97 54.71 1b8u s GLU 182 Cb -0.20 -2.69 0.00 0.00 -4.31 0.00 0.00 34.13 26.93 1b8u s GLU 182 CO 0.23 0.46 0.00 1.63 0.01 0.00 0.00 175.26 177.60 1b8u n LYS 183 N -0.68 -1.50 -2.40 1.61 5.02 -1.26 -0.51 118.16 118.43 1b8u n LYS 183 Ca -0.08 0.85 -0.32 0.00 -2.02 0.00 0.00 58.31 56.74 1b8u n LYS 183 Cb 0.56 -5.11 -0.03 0.00 -0.02 0.00 0.00 35.03 30.43 1b8u n LYS 183 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1b8u s LEU 184 N -3.27 3.62 0.33 -0.35 2.96 -1.26 -3.68 118.68 117.03 1b8u s LEU 184 Ca 0.00 1.53 -0.18 0.00 -0.22 0.00 0.00 54.13 55.27 1b8u s LEU 184 Cb 0.00 -4.47 0.06 0.00 0.50 0.00 0.00 46.19 42.28 1b8u s LEU 184 CO 0.00 -0.59 0.86 0.72 -1.32 0.00 0.00 176.35 176.02 1b8u s PHE 185 N -2.64 0.10 -0.06 5.38 -0.71 -1.24 -4.61 117.98 114.21 1b8u s PHE 185 Ca 0.58 -0.70 -0.03 0.00 -1.04 0.00 0.00 56.93 55.74 1b8u s PHE 185 Cb -0.10 0.80 0.03 0.00 -1.21 0.00 0.00 43.02 42.54 1b8u s PHE 185 CO 0.32 -1.39 0.13 0.08 -1.34 0.00 0.00 175.22 173.02 1b8u s VAL 186 N -2.29 -0.03 0.19 -2.49 1.01 -1.26 -1.44 120.40 114.08 1b8u s VAL 186 Ca 0.17 0.11 0.05 0.00 0.00 0.00 0.00 61.98 62.31 1b8u s VAL 186 Cb -0.04 -0.21 -0.04 0.00 0.00 0.00 0.00 36.38 36.09 1b8u s VAL 186 CO 0.10 0.05 0.20 0.26 0.00 0.00 0.00 175.10 175.71 1b8u s TRP 187 N 0.76 3.24 0.00 5.22 0.52 -0.55 -3.58 118.94 124.54 1b8u s TRP 187 Ca -0.06 -0.01 0.00 0.00 0.02 0.00 0.00 56.10 56.05 1b8u s TRP 187 Cb -0.08 -1.52 0.00 0.00 -1.15 0.00 0.00 33.47 30.72 1b8u s TRP 187 CO -0.04 0.51 0.00 0.41 0.02 0.00 0.00 176.95 177.85 1b8u n GLY 188 N -0.69 -0.22 3.81 0.98 0.00 -0.97 -2.09 105.19 106.02 1b8u n GLY 188 Ca -0.08 -1.11 -0.33 0.00 0.00 0.00 0.00 46.02 44.49 1b8u n GLY 188 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1b8u s ASN 189 N -4.00 6.83 -1.08 1.61 3.04 -1.26 -0.86 114.94 119.21 1b8u s ASN 189 Ca 0.00 1.75 -0.20 0.00 0.04 0.00 0.00 52.86 54.45 1b8u s ASN 189 Cb 0.00 -2.55 0.09 0.00 -1.54 0.00 0.00 41.25 37.26 1b8u s ASN 189 CO 0.00 -0.44 1.42 -2.28 -3.04 0.00 0.00 177.10 172.76 1b8u s HIS 190 N -2.12 2.87 0.37 0.43 5.65 -1.26 -3.78 115.29 117.44 1b8u s HIS 190 Ca 0.63 -1.32 -0.13 0.00 0.25 0.00 0.00 55.06 54.49 1b8u s HIS 190 Cb -0.11 -4.55 0.05 0.00 -1.18 0.00 0.00 32.58 26.79 1b8u s HIS 190 CO 0.15 -1.72 0.71 -1.13 -0.65 0.00 0.00 174.74 172.10 1b8u n SER 191 N 7.74 -2.07 0.17 9.88 3.41 -1.26 -4.85 113.62 126.64 1b8u n SER 191 Ca 0.34 -2.53 0.13 0.00 -0.26 0.00 0.00 58.87 56.56 1b8u n SER 191 Cb 0.48 3.47 0.52 0.00 -0.26 0.00 0.00 64.21 68.42 1b8u n SER 191 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1b8u h PRO 192 N 0.00 0.00 0.00 4.33 0.13 -1.89 -2.28 132.00 132.29 1b8u h PRO 192 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1b8u h PRO 192 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1b8u h PRO 192 CO 0.39 0.00 0.00 2.41 -0.23 0.00 0.00 178.00 180.57 1b8u n THR 193 N -2.48 0.44 -0.81 1.56 -1.04 -1.26 -4.74 114.28 105.95 1b8u n THR 193 Ca 0.02 0.11 -0.31 0.00 -2.04 0.00 0.00 64.05 61.83 1b8u n THR 193 Cb 0.28 -0.82 0.15 0.00 -1.82 0.00 0.00 70.33 68.13 1b8u n THR 193 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1b8u s MET 194 N -2.53 1.22 -0.39 -2.82 0.23 -0.86 -4.35 119.30 109.81 1b8u s MET 194 Ca 0.18 1.54 0.02 0.00 -1.03 0.00 0.00 55.69 56.40 1b8u s MET 194 Cb 0.12 -1.75 0.11 0.00 -1.53 0.00 0.00 34.83 31.78 1b8u s MET 194 CO 0.27 -2.48 0.15 -0.47 -2.03 0.00 0.00 175.02 170.45 1b8u s TYR 195 N -2.60 2.56 -0.22 3.16 5.04 -0.89 -4.94 117.35 119.46 1b8u s TYR 195 Ca 0.67 -2.49 -0.29 0.00 -2.44 0.00 0.00 57.07 52.52 1b8u s TYR 195 Cb -0.23 -2.26 -0.02 0.00 0.35 0.00 0.00 41.96 39.81 1b8u s TYR 195 CO 0.57 -0.85 1.41 0.00 -1.34 0.00 0.00 175.55 175.34 1b8u s ALA 196 N 0.77 3.45 -0.46 3.97 0.00 -1.26 -1.48 121.76 126.74 1b8u s ALA 196 Ca 0.13 0.38 -0.12 0.00 0.00 0.00 0.00 51.96 52.35 1b8u s ALA 196 Cb -0.21 -3.75 0.09 0.00 0.00 0.00 0.00 23.12 19.25 1b8u s ALA 196 CO -0.09 -1.62 0.35 0.34 0.00 0.00 0.00 175.76 174.74 1b8u s ASP 197 N 3.01 5.89 0.00 0.00 -1.08 -0.52 -4.92 116.67 119.04 1b8u s ASP 197 Ca 0.62 -1.57 0.26 0.00 -0.52 0.00 0.00 52.55 51.34 1b8u s ASP 197 Cb -0.22 -2.09 0.64 0.00 -1.46 0.00 0.00 42.92 39.79 1b8u s ASP 197 CO 0.23 -0.65 1.51 0.00 0.52 0.00 0.00 175.17 176.78 1b8u n TYR 198 N 5.06 0.00 0.26 -5.34 4.11 -1.26 -3.65 117.16 116.34 1b8u n TYR 198 Ca -0.11 0.00 0.18 0.00 -0.00 0.00 0.00 57.90 57.97 1b8u n TYR 198 Cb 0.42 -0.01 0.92 0.00 -0.00 0.00 0.00 39.34 40.68 1b8u n TYR 198 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1b8u h ARG 199 N 3.29 0.00 -0.00 -3.48 3.08 -1.93 -2.74 114.38 112.60 1b8u h ARG 199 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1b8u h ARG 199 Cb 0.72 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.77 1b8u h ARG 199 CO 0.00 0.00 -0.58 0.66 -1.07 0.00 0.00 179.97 178.98 1b8u n TYR 200 N -3.60 0.00 -1.84 3.04 4.02 -1.26 -4.88 117.16 112.64 1b8u n TYR 200 Ca -0.01 0.00 -0.37 0.00 -0.01 0.00 0.00 57.90 57.52 1b8u n TYR 200 Cb 0.22 0.00 0.05 0.00 -0.02 0.00 0.00 39.34 39.60 1b8u n TYR 200 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1b8u s ALA 201 N -2.20 2.46 -0.05 -0.72 0.00 -1.03 -4.68 121.76 115.54 1b8u s ALA 201 Ca 0.07 1.15 -0.07 0.00 0.00 0.00 0.00 51.96 53.10 1b8u s ALA 201 Cb 0.11 -3.52 0.01 0.00 0.00 0.00 0.00 23.12 19.72 1b8u s ALA 201 CO 0.53 -1.44 0.18 -0.65 0.00 0.00 0.00 175.76 174.38 1b8u s GLN 202 N -3.34 0.33 -0.24 0.00 -0.21 0.34 -2.36 119.66 114.18 1b8u s GLN 202 Ca 0.80 0.03 0.01 0.00 0.02 0.00 0.00 55.36 56.23 1b8u s GLN 202 Cb -0.35 0.15 0.06 0.00 1.00 0.00 0.00 33.01 33.87 1b8u s GLN 202 CO 0.38 -0.06 -0.07 0.42 -2.12 0.00 0.00 175.29 173.84 1b8u s ILE 203 N -0.45 1.72 -1.09 1.08 1.01 0.77 0.53 121.20 124.78 1b8u s ILE 203 Ca -0.05 -1.36 -0.03 0.00 0.00 0.00 0.00 60.65 59.20 1b8u s ILE 203 Cb -0.04 -1.95 0.00 0.00 0.01 0.00 0.00 42.46 40.49 1b8u s ILE 203 CO 0.01 -0.09 0.44 0.47 0.00 0.00 0.00 174.94 175.77 1b8u n ASP 204 N 4.60 -4.78 0.00 3.58 8.00 -1.26 -1.98 116.55 124.71 1b8u n ASP 204 Ca -0.12 -0.21 0.00 0.00 0.71 0.00 0.00 54.79 55.17 1b8u n ASP 204 Cb 0.43 -3.63 0.00 0.00 -0.02 0.00 0.00 41.12 37.90 1b8u n ASP 204 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1b8u n GLY 205 N -1.30 3.08 3.77 0.44 0.00 -1.26 -5.01 105.19 104.91 1b8u n GLY 205 Ca -0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.56 1b8u n GLY 205 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b8u s ALA 206 N -1.46 3.23 -0.31 4.61 0.00 -0.84 -4.95 121.76 122.04 1b8u s ALA 206 Ca 0.00 0.72 -0.29 0.00 0.00 0.00 0.00 51.96 52.39 1b8u s ALA 206 Cb 0.00 -3.26 -0.00 0.00 0.00 0.00 0.00 23.12 19.85 1b8u s ALA 206 CO 0.00 -0.08 1.43 0.45 0.00 0.00 0.00 175.76 177.56 1b8u s SER 207 N -1.34 6.47 0.20 0.00 0.15 -1.26 -0.16 113.70 117.76 1b8u s SER 207 Ca 0.51 1.20 -0.10 0.00 0.70 0.00 0.00 55.95 58.26 1b8u s SER 207 Cb -0.25 -2.54 0.23 0.00 -1.71 0.00 0.00 66.02 61.75 1b8u s SER 207 CO 0.31 -1.25 1.78 0.58 1.20 0.00 0.00 173.24 175.86 1b8u h VAL 208 N 6.18 0.89 -0.89 4.45 2.07 -1.78 -1.75 116.25 125.41 1b8u h VAL 208 Ca -0.29 -0.18 0.09 0.00 0.82 0.00 0.00 66.70 67.15 1b8u h VAL 208 Cb 1.12 0.32 -0.07 0.00 -1.52 0.00 0.00 31.29 31.13 1b8u h VAL 208 CO 1.04 0.09 0.54 0.50 0.02 0.00 0.00 177.57 179.76 1b8u h LYS 209 N 0.52 0.87 0.00 1.57 3.64 -1.79 -2.20 116.57 119.18 1b8u h LYS 209 Ca 0.28 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.56 1b8u h LYS 209 Cb 0.25 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 1b8u h LYS 209 CO -0.22 0.58 -0.23 -0.44 -2.27 0.00 0.00 179.45 176.86 1b8u h ASP 210 N 0.90 0.00 0.20 4.20 3.32 -1.77 -0.62 116.42 122.65 1b8u h ASP 210 Ca 0.42 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.46 1b8u h ASP 210 Cb 0.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.90 1b8u h ASP 210 CO -0.24 0.23 -0.09 0.24 -1.72 0.00 0.00 179.24 177.66 1b8u h MET 211 N 0.00 -0.26 -0.81 3.56 2.86 -0.77 -3.11 114.93 116.40 1b8u h MET 211 Ca -0.00 0.02 0.05 0.00 -2.06 0.00 0.00 59.70 57.71 1b8u h MET 211 Cb 1.07 0.06 -0.06 0.00 0.06 0.00 0.00 31.60 32.73 1b8u h MET 211 CO 0.03 0.14 0.50 0.82 1.06 0.00 0.00 176.91 179.47 1b8u h ILE 212 N -0.81 1.06 -6.62 -1.22 5.03 -1.47 -3.46 117.51 110.02 1b8u h ILE 212 Ca -0.03 -0.32 -0.53 0.00 -0.12 0.00 0.00 64.86 63.86 1b8u h ILE 212 Cb 0.52 0.04 -0.14 0.00 -3.03 0.00 0.00 36.82 34.21 1b8u h ILE 212 CO 0.04 0.17 -0.85 -3.20 -0.68 0.00 0.00 178.15 173.64 1b8u n ASN 213 N -4.63 -2.27 -3.17 1.72 4.05 -0.24 -4.92 115.26 105.79 1b8u n ASN 213 Ca 0.11 -0.99 0.03 0.00 0.45 0.00 0.00 54.58 54.17 1b8u n ASN 213 Cb 0.15 -2.95 -0.01 0.00 1.23 0.00 0.00 39.78 38.19 1b8u n ASN 213 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 1b8u s ASP 214 N -3.71 -1.38 0.49 1.20 2.15 -1.26 -5.02 116.67 109.13 1b8u s ASP 214 Ca 0.45 0.30 0.30 0.00 0.43 0.00 0.00 52.55 54.03 1b8u s ASP 214 Cb -0.24 1.97 1.08 0.00 -0.30 0.00 0.00 42.92 45.43 1b8u s ASP 214 CO 0.91 -0.30 1.87 0.44 -0.17 0.00 0.00 175.17 177.92 1b8u h ASP 215 N 8.02 0.00 0.98 -0.34 3.32 -1.92 -2.35 116.42 124.12 1b8u h ASP 215 Ca -0.07 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.91 1b8u h ASP 215 Cb 1.18 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.72 1b8u h ASP 215 CO 0.19 0.00 -0.33 0.00 -1.72 0.00 0.00 179.24 177.37 1b8u h ALA 216 N 2.04 0.96 -0.11 3.45 0.00 -1.98 -1.43 119.26 122.18 1b8u h ALA 216 Ca 0.00 -0.30 -0.21 0.00 0.00 0.00 0.00 54.91 54.40 1b8u h ALA 216 Cb 0.62 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.37 1b8u h ALA 216 CO 0.00 0.42 -0.75 2.35 0.00 0.00 0.00 179.25 181.27 1b8u h TRP 217 N 0.00 0.97 0.48 0.00 7.01 -1.82 -1.43 115.95 121.16 1b8u h TRP 217 Ca -0.00 -0.45 -0.02 0.00 2.11 0.00 0.00 58.89 60.53 1b8u h TRP 217 Cb 0.91 -0.14 0.00 0.00 -2.10 0.00 0.00 29.16 27.83 1b8u h TRP 217 CO 0.00 1.27 -0.26 -0.97 -2.79 0.00 0.00 178.44 175.69 1b8u h ASN 218 N 0.39 -0.64 -0.78 2.65 -0.00 -1.37 0.22 115.58 116.05 1b8u h ASN 218 Ca -0.06 0.03 -0.02 0.00 -0.00 0.00 0.00 56.30 56.25 1b8u h ASN 218 Cb 1.39 0.18 -0.04 0.00 -0.00 0.00 0.00 38.32 39.85 1b8u h ASN 218 CO 0.15 -0.42 0.41 0.03 -0.00 0.00 0.00 177.43 177.61 1b8u h ARG 219 N -0.68 1.10 0.00 6.67 3.08 -1.39 -2.55 114.38 120.61 1b8u h ARG 219 Ca -0.06 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 59.85 1b8u h ARG 219 Cb 0.53 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.37 1b8u h ARG 219 CO 0.09 0.82 -1.35 -0.25 -1.07 0.00 0.00 179.97 178.21 1b8u n ASP 220 N -4.41 0.51 0.05 7.04 8.00 -0.54 -4.52 116.55 122.68 1b8u n ASP 220 Ca 0.07 0.10 0.00 0.00 0.71 0.00 0.00 54.79 55.67 1b8u n ASP 220 Cb 0.10 1.05 0.00 0.00 -0.02 0.00 0.00 41.12 42.25 1b8u n ASP 220 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1b8u n THR 221 N -2.39 0.60 0.26 -3.53 -1.04 0.57 -4.70 114.28 104.05 1b8u n THR 221 Ca -0.01 0.20 -0.16 0.00 -2.04 0.00 0.00 64.05 62.04 1b8u n THR 221 Cb 0.53 -1.30 -0.08 0.00 -1.82 0.00 0.00 70.33 67.66 1b8u n THR 221 CO 0.00 0.00 0.00 0.15 -0.64 0.00 0.00 175.07 174.58 1b8u h PHE 222 N 0.00 -0.94 -0.22 -1.42 3.57 -0.96 -2.07 116.94 114.90 1b8u h PHE 222 Ca 0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1b8u h PHE 222 Cb 0.27 0.35 -0.01 0.00 2.79 0.00 0.00 35.95 39.36 1b8u h PHE 222 CO 0.00 -0.51 0.14 -0.07 -2.23 0.00 0.00 178.31 175.64 1b8u h LEU 223 N -0.79 0.25 -0.88 0.59 4.07 -1.69 -2.30 115.31 114.57 1b8u h LEU 223 Ca -0.04 -0.02 -0.11 0.00 0.08 0.00 0.00 57.88 57.79 1b8u h LEU 223 Cb 0.68 -0.06 -0.01 0.00 1.08 0.00 0.00 40.66 42.34 1b8u h LEU 223 CO -0.01 0.19 -0.39 -0.65 -1.08 0.00 0.00 178.44 176.50 1b8u h PRO 224 N 0.29 0.34 0.17 1.13 0.11 -1.79 0.52 132.00 132.77 1b8u h PRO 224 Ca 0.08 -0.16 -0.01 0.00 0.11 0.00 0.00 66.00 66.02 1b8u h PRO 224 Cb -0.02 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.09 1b8u h PRO 224 CO -0.02 0.68 -0.08 1.15 -0.21 0.00 0.00 178.00 179.52 1b8u h THR 225 N 0.29 0.94 0.17 -1.15 2.02 -1.35 -0.91 112.91 112.91 1b8u h THR 225 Ca 0.03 -0.79 -0.00 0.00 0.77 0.00 0.00 66.41 66.41 1b8u h THR 225 Cb 0.82 1.40 -0.00 0.00 -1.74 0.00 0.00 68.15 68.63 1b8u h THR 225 CO 0.07 0.18 -0.10 0.58 0.37 0.00 0.00 175.52 176.61 1b8u h VAL 226 N -0.64 0.78 -0.80 3.16 2.07 -1.47 0.12 116.25 119.47 1b8u h VAL 226 Ca -0.02 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.69 1b8u h VAL 226 Cb 0.47 0.78 -0.05 0.00 -1.52 0.00 0.00 31.29 30.97 1b8u h VAL 226 CO 0.04 0.00 0.55 1.23 0.02 0.00 0.00 177.57 179.41 1b8u h GLY 227 N -0.26 0.47 -0.95 2.17 0.00 -0.88 -1.93 103.07 101.69 1b8u h GLY 227 Ca -0.01 -0.11 -0.02 0.00 0.00 0.00 0.00 47.33 47.19 1b8u h GLY 227 CO 0.01 0.01 -0.33 0.28 0.00 0.00 0.00 176.54 176.51 1b8u n LYS 228 N -4.42 1.60 -0.20 4.80 5.02 -0.35 -3.99 118.16 120.62 1b8u n LYS 228 Ca 0.16 -3.13 -0.10 0.00 -2.02 0.00 0.00 58.31 53.22 1b8u n LYS 228 Cb 0.71 -1.63 0.02 0.00 -0.02 0.00 0.00 35.03 34.11 1b8u n LYS 228 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 1b8u h ARG 229 N 0.82 1.02 -0.38 1.97 9.65 -0.13 -2.68 114.38 124.66 1b8u h ARG 229 Ca 0.03 -0.35 0.07 0.00 -1.10 0.00 0.00 59.98 58.63 1b8u h ARG 229 Cb 1.10 -0.08 -0.06 0.00 -1.39 0.00 0.00 29.97 29.54 1b8u h ARG 229 CO 0.06 1.03 -0.00 0.78 2.80 0.00 0.00 179.97 184.64 1b8u h GLY 230 N 0.91 0.37 1.73 2.80 0.00 -1.85 -0.44 103.07 106.59 1b8u h GLY 230 Ca 0.16 0.05 -0.06 0.00 0.00 0.00 0.00 47.33 47.47 1b8u h GLY 230 CO 0.04 -0.09 -0.15 0.00 0.00 0.00 0.00 176.54 176.34 1b8u h ALA 231 N 1.33 1.39 -0.14 3.60 0.00 -1.91 -1.92 119.26 121.60 1b8u h ALA 231 Ca 0.18 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1b8u h ALA 231 Cb 0.26 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1b8u h ALA 231 CO -0.31 0.42 -0.23 0.00 0.00 0.00 0.00 179.25 179.13 1b8u h ALA 232 N 1.55 1.34 -0.40 0.00 0.00 -0.79 -1.13 119.26 119.83 1b8u h ALA 232 Ca 0.06 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.59 1b8u h ALA 232 Cb 0.45 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1b8u h ALA 232 CO 0.03 0.45 -0.13 0.82 0.00 0.00 0.00 179.25 180.42 1b8u h ILE 233 N 0.23 1.26 0.00 0.00 1.08 -0.36 -2.12 117.51 117.60 1b8u h ILE 233 Ca 0.04 -1.17 -0.05 0.00 -0.39 0.00 0.00 64.86 63.30 1b8u h ILE 233 Cb 0.55 1.09 -0.01 0.00 -3.07 0.00 0.00 36.82 35.38 1b8u h ILE 233 CO 0.04 0.39 -0.22 0.40 -0.69 0.00 0.00 178.15 178.07 1b8u h ILE 234 N 0.65 0.52 -0.16 -0.67 2.04 -1.08 0.28 117.51 119.09 1b8u h ILE 234 Ca 0.11 -1.18 -0.12 0.00 1.00 0.00 0.00 64.86 64.68 1b8u h ILE 234 Cb 0.59 1.82 0.00 0.00 -0.74 0.00 0.00 36.82 38.50 1b8u h ILE 234 CO 0.04 0.22 -0.35 -2.24 0.00 0.00 0.00 178.15 175.82 1b8u h ASP 235 N 0.00 0.59 0.02 1.72 3.04 -0.70 -2.34 116.42 118.75 1b8u h ASP 235 Ca -0.00 -0.56 -0.00 0.00 -3.24 0.00 0.00 57.03 53.22 1b8u h ASP 235 Cb 0.81 -0.17 0.00 0.00 -1.04 0.00 0.00 39.33 38.93 1b8u h ASP 235 CO 0.03 1.04 -0.01 0.00 -2.04 0.00 0.00 179.24 178.26 1b8u h ALA 236 N 0.56 -0.05 -0.03 4.15 0.00 -1.20 -3.40 119.26 119.29 1b8u h ALA 236 Ca 0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1b8u h ALA 236 Cb 0.95 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1b8u h ALA 236 CO 0.08 -0.05 -0.34 0.00 0.00 0.00 0.00 179.25 178.94 1b8u h ARG 237 N -0.49 0.06 0.00 0.00 3.08 -0.62 -3.46 114.38 112.95 1b8u h ARG 237 Ca -0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1b8u h ARG 237 Cb 0.02 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.07 1b8u h ARG 237 CO 0.00 0.40 0.00 0.41 -1.07 0.00 0.00 179.97 179.71 1b8u n GLY 238 N -0.50 1.74 3.12 0.04 0.00 -0.88 -4.99 105.19 103.72 1b8u n GLY 238 Ca -0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 1b8u n GLY 238 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1b8u s VAL 239 N -2.58 0.45 1.04 1.61 -7.23 -1.26 -4.99 120.40 107.45 1b8u s VAL 239 Ca 0.00 -1.82 -0.15 0.00 -1.81 0.00 0.00 61.98 58.20 1b8u s VAL 239 Cb 0.00 -1.53 0.23 0.00 0.56 0.00 0.00 36.38 35.64 1b8u s VAL 239 CO 0.00 -0.91 0.53 -1.20 -0.31 0.00 0.00 175.10 173.21 1b8u n SER 240 N 0.12 -3.27 -3.95 4.85 7.64 -1.26 -3.92 113.62 113.83 1b8u n SER 240 Ca -0.14 -0.53 -0.43 0.00 1.01 0.00 0.00 58.87 58.78 1b8u n SER 240 Cb 0.61 -0.75 0.01 0.00 -1.01 0.00 0.00 64.21 63.07 1b8u n SER 240 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1b8u n SER 241 N -2.88 6.47 0.43 6.43 3.41 -1.26 -4.86 113.62 121.36 1b8u n SER 241 Ca 0.08 -3.43 -0.19 0.00 -0.26 0.00 0.00 58.87 55.08 1b8u n SER 241 Cb 0.36 -1.27 -0.09 0.00 -0.26 0.00 0.00 64.21 62.95 1b8u n SER 241 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1b8u h ALA 242 N 5.31 -1.15 -0.54 7.33 0.00 -1.90 -2.64 119.26 125.66 1b8u h ALA 242 Ca 0.25 -0.24 0.04 0.00 0.00 0.00 0.00 54.91 54.97 1b8u h ALA 242 Cb 0.58 0.51 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 1b8u h ALA 242 CO 1.34 -1.16 0.29 0.00 0.00 0.00 0.00 179.25 179.73 1b8u h ALA 243 N -0.97 0.70 -0.12 0.00 0.00 -1.89 -0.54 119.26 116.44 1b8u h ALA 243 Ca -0.10 0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.67 1b8u h ALA 243 Cb 0.89 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1b8u h ALA 243 CO 0.14 -0.04 -0.58 0.66 0.00 0.00 0.00 179.25 179.43 1b8u h SER 244 N 0.56 0.42 -0.32 0.00 4.64 -1.98 -2.57 113.55 114.31 1b8u h SER 244 Ca 0.23 -0.23 -0.11 0.00 -0.47 0.00 0.00 61.79 61.21 1b8u h SER 244 Cb 0.11 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.07 1b8u h SER 244 CO -0.15 0.91 -0.20 0.00 -0.87 0.00 0.00 176.83 176.52 1b8u h ALA 245 N 1.10 0.89 0.00 5.18 0.00 -1.20 -1.89 119.26 123.34 1b8u h ALA 245 Ca -0.00 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.49 1b8u h ALA 245 Cb 1.10 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1b8u h ALA 245 CO 0.10 0.63 -0.29 0.00 0.00 0.00 0.00 179.25 179.69 1b8u h ALA 246 N 1.08 1.33 0.01 0.00 0.00 -1.01 -2.44 119.26 118.23 1b8u h ALA 246 Ca 0.10 -0.26 -0.24 0.00 0.00 0.00 0.00 54.91 54.51 1b8u h ALA 246 Cb 0.71 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.46 1b8u h ALA 246 CO 0.05 0.36 -0.99 -0.97 0.00 0.00 0.00 179.25 177.70 1b8u h ASN 247 N 0.00 0.66 -0.70 0.00 -1.24 -1.02 -2.94 115.58 110.35 1b8u h ASN 247 Ca -0.00 -0.54 -0.01 0.00 0.71 0.00 0.00 56.30 56.46 1b8u h ASN 247 Cb 0.58 -0.20 -0.03 0.00 0.73 0.00 0.00 38.32 39.39 1b8u h ASN 247 CO 0.04 1.34 0.39 0.00 -1.29 0.00 0.00 177.43 177.91 1b8u h ALA 248 N 0.62 0.89 -0.21 1.57 0.00 -1.05 0.11 119.26 121.20 1b8u h ALA 248 Ca -0.10 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.61 1b8u h ALA 248 Cb 1.63 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 1b8u h ALA 248 CO 0.18 0.40 -0.31 0.00 0.00 0.00 0.00 179.25 179.52 1b8u h ALA 249 N 1.20 1.09 -0.19 0.00 0.00 -1.49 0.34 119.26 120.21 1b8u h ALA 249 Ca 0.25 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1b8u h ALA 249 Cb 0.02 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1b8u h ALA 249 CO -0.04 0.57 0.01 0.82 0.00 0.00 0.00 179.25 180.61 1b8u h ILE 250 N 0.36 1.24 -0.13 0.00 1.08 -1.17 -2.36 117.51 116.54 1b8u h ILE 250 Ca 0.05 -0.82 -0.00 0.00 -0.39 0.00 0.00 64.86 63.69 1b8u h ILE 250 Cb 0.72 1.41 -0.01 0.00 -3.07 0.00 0.00 36.82 35.88 1b8u h ILE 250 CO 0.06 0.25 0.07 0.44 -0.69 0.00 0.00 178.15 178.27 1b8u h ASP 251 N 0.10 0.16 0.18 1.72 3.32 -0.39 0.67 116.42 122.18 1b8u h ASP 251 Ca 0.06 -0.09 0.01 0.00 0.02 0.00 0.00 57.03 57.02 1b8u h ASP 251 Cb 0.37 -0.04 -0.04 0.00 0.22 0.00 0.00 39.33 39.84 1b8u h ASP 251 CO 0.01 0.20 -0.47 -0.74 -1.72 0.00 0.00 179.24 176.52 1b8u h HIS 252 N 0.10 -1.35 -0.59 4.55 2.76 -0.31 0.12 115.15 120.42 1b8u h HIS 252 Ca 0.04 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.23 1b8u h HIS 252 Cb 0.08 0.57 -0.03 0.00 1.55 0.00 0.00 27.41 29.58 1b8u h HIS 252 CO -0.04 -0.55 0.33 0.82 -1.30 0.00 0.00 177.93 177.19 1b8u h ILE 253 N -0.73 1.19 -0.17 6.26 1.08 -1.39 0.05 117.51 123.80 1b8u h ILE 253 Ca -0.02 -0.46 0.02 0.00 -0.39 0.00 0.00 64.86 64.01 1b8u h ILE 253 Cb 0.70 0.42 -0.02 0.00 -3.07 0.00 0.00 36.82 34.85 1b8u h ILE 253 CO -0.21 0.20 0.03 -0.74 -0.69 0.00 0.00 178.15 176.73 1b8u h HIS 254 N 0.80 0.04 -0.28 1.37 2.76 -0.70 -0.12 115.15 119.02 1b8u h HIS 254 Ca 0.21 0.01 -0.10 0.00 -2.20 0.00 0.00 60.37 58.29 1b8u h HIS 254 Cb 0.03 0.01 -0.01 0.00 1.55 0.00 0.00 27.41 28.99 1b8u h HIS 254 CO -0.01 0.01 -0.23 -0.44 -1.30 0.00 0.00 177.93 175.95 1b8u h ASP 255 N 0.09 0.69 -0.19 3.26 3.32 -0.62 0.42 116.42 123.40 1b8u h ASP 255 Ca 0.08 -0.45 0.04 0.00 0.02 0.00 0.00 57.03 56.71 1b8u h ASP 255 Cb 0.08 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.40 1b8u h ASP 255 CO -0.11 1.00 -0.04 -0.25 -1.72 0.00 0.00 179.24 178.12 1b8u h TRP 256 N 0.39 -0.08 0.18 4.55 7.01 -0.88 0.12 115.95 127.24 1b8u h TRP 256 Ca 0.05 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.06 1b8u h TRP 256 Cb 0.78 0.07 0.00 0.00 -2.10 0.00 0.00 29.16 27.91 1b8u h TRP 256 CO 0.07 -0.07 -0.09 0.28 -2.79 0.00 0.00 178.44 175.84 1b8u h VAL 257 N 0.01 0.08 0.00 2.65 2.07 -1.01 -3.34 116.25 116.71 1b8u h VAL 257 Ca 0.09 -0.86 0.00 0.00 0.82 0.00 0.00 66.70 66.75 1b8u h VAL 257 Cb 0.13 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.05 1b8u h VAL 257 CO -0.19 0.02 0.00 -0.07 0.02 0.00 0.00 177.57 177.36 1b8u h LEU 258 N -1.06 0.00 0.00 2.57 4.07 -0.25 -3.35 115.31 117.29 1b8u h LEU 258 Ca -0.03 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.93 1b8u h LEU 258 Cb 0.23 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.97 1b8u h LEU 258 CO 0.04 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 178.01 1b8u n GLY 259 N 0.89 1.37 0.82 0.83 0.00 0.40 -4.88 105.19 104.63 1b8u n GLY 259 Ca 0.04 -1.69 0.11 0.00 0.00 0.00 0.00 46.02 44.47 1b8u n GLY 259 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1b8u n THR 260 N 1.40 0.00 -3.58 2.61 -2.24 -1.15 -4.76 114.28 106.57 1b8u n THR 260 Ca 0.00 -0.46 -0.26 0.00 -2.27 0.00 0.00 64.05 61.06 1b8u n THR 260 Cb 0.00 1.43 -0.00 0.00 -2.10 0.00 0.00 70.33 69.66 1b8u n THR 260 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1b8u n ALA 261 N 1.02 -1.12 0.00 6.98 0.00 -1.26 -1.71 120.51 124.41 1b8u n ALA 261 Ca 0.12 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1b8u n ALA 261 Cb 0.54 -3.22 0.00 0.00 0.00 0.00 0.00 19.45 16.78 1b8u n ALA 261 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1b8u n GLY 262 N -1.30 1.96 3.72 0.00 0.00 -1.26 -5.08 105.19 103.22 1b8u n GLY 262 Ca 0.01 -0.15 -0.34 0.00 0.00 0.00 0.00 46.02 45.54 1b8u n GLY 262 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1b8u s LYS 263 N 0.00 2.12 -0.04 1.61 2.36 -0.70 -4.98 119.74 120.11 1b8u s LYS 263 Ca 0.00 1.77 -0.05 0.00 -2.55 0.00 0.00 55.97 55.15 1b8u s LYS 263 Cb 0.00 -1.83 -0.04 0.00 -1.05 0.00 0.00 37.83 34.91 1b8u s LYS 263 CO 0.00 -1.85 0.19 -1.58 1.55 0.00 0.00 175.35 173.65 1b8u s TRP 264 N -1.97 3.57 0.31 4.03 0.51 -1.26 -4.54 118.94 119.59 1b8u s TRP 264 Ca 0.75 0.45 0.05 0.00 -2.12 0.00 0.00 56.10 55.23 1b8u s TRP 264 Cb -0.29 -1.89 -0.03 0.00 -0.81 0.00 0.00 33.47 30.44 1b8u s TRP 264 CO 0.45 0.67 0.27 -0.08 -0.51 0.00 0.00 176.95 177.75 1b8u s THR 265 N -1.23 0.00 -0.07 2.01 -1.32 0.61 -4.71 115.64 110.93 1b8u s THR 265 Ca 0.24 -1.97 0.03 0.00 -1.21 0.00 0.00 61.69 58.78 1b8u s THR 265 Cb -0.13 -2.51 -0.02 0.00 -1.51 0.00 0.00 72.50 68.33 1b8u s THR 265 CO 0.14 0.00 -0.15 -0.89 -2.21 0.00 0.00 174.62 171.51 1b8u s THR 266 N -3.54 2.94 -0.07 5.08 2.01 -1.26 0.35 115.64 121.14 1b8u s THR 266 Ca 0.40 -0.75 -0.05 0.00 0.31 0.00 0.00 61.69 61.60 1b8u s THR 266 Cb 0.03 -2.16 0.03 0.00 0.01 0.00 0.00 72.50 70.41 1b8u s THR 266 CO 0.24 0.57 0.18 -0.04 -0.69 0.00 0.00 174.62 174.89 1b8u s MET 267 N -0.41 0.17 -0.61 4.92 -1.94 -1.12 -4.22 119.30 116.09 1b8u s MET 267 Ca 0.05 0.35 -0.26 0.00 -1.71 0.00 0.00 55.69 54.11 1b8u s MET 267 Cb -0.12 -0.04 0.04 0.00 2.01 0.00 0.00 34.83 36.72 1b8u s MET 267 CO 0.02 -0.10 1.09 0.20 -0.01 0.00 0.00 175.02 176.22 1b8u s GLY 268 N 0.70 1.21 0.25 -0.03 0.00 -0.31 -1.98 107.32 107.16 1b8u s GLY 268 Ca -0.05 -1.19 0.08 0.00 0.00 0.00 0.00 44.72 43.56 1b8u s GLY 268 CO -0.04 2.32 -0.12 -0.26 0.00 0.00 0.00 173.10 175.00 1b8u s ILE 269 N 4.64 1.84 0.04 0.90 -4.36 -0.72 -0.17 121.20 123.38 1b8u s ILE 269 Ca 0.34 -2.21 -0.31 0.00 -0.26 0.00 0.00 60.65 58.22 1b8u s ILE 269 Cb -0.10 -2.28 -0.07 0.00 1.25 0.00 0.00 42.46 41.26 1b8u s ILE 269 CO 0.19 -0.43 1.43 -2.84 0.24 0.00 0.00 174.94 173.54 1b8u s PRO 270 N -3.65 4.28 0.53 0.37 0.02 -1.26 0.13 135.00 135.41 1b8u s PRO 270 Ca 0.27 2.05 -0.22 0.00 0.02 0.00 0.00 61.00 63.12 1b8u s PRO 270 Cb 0.01 -3.48 -0.05 0.00 0.02 0.00 0.00 34.50 30.99 1b8u s PRO 270 CO 0.11 -0.56 1.29 0.45 -0.33 0.00 0.00 177.00 177.96 1b8u s SER 271 N 1.74 5.52 -0.04 2.53 0.15 0.52 -4.73 113.70 119.38 1b8u s SER 271 Ca 0.65 2.60 0.09 0.00 0.70 0.00 0.00 55.95 60.00 1b8u s SER 271 Cb -0.34 -2.62 0.26 0.00 -1.71 0.00 0.00 66.02 61.61 1b8u s SER 271 CO 0.28 -1.39 1.21 -0.90 1.20 0.00 0.00 173.24 173.65 1b8u n ASP 272 N -0.92 2.81 0.00 5.45 5.75 -1.26 -1.52 116.55 126.85 1b8u n ASP 272 Ca 0.10 -2.22 0.00 0.00 -0.01 0.00 0.00 54.79 52.66 1b8u n ASP 272 Cb 0.46 -0.23 0.00 0.00 -1.03 0.00 0.00 41.12 40.32 1b8u n ASP 272 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1b8u n GLY 273 N -0.01 0.63 3.77 6.12 0.00 -1.18 -4.90 105.19 109.62 1b8u n GLY 273 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 1b8u n GLY 273 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1b8u s SER 274 N -2.88 6.07 -2.16 1.61 0.01 -1.26 -2.92 113.70 112.17 1b8u s SER 274 Ca 0.00 2.48 0.00 0.00 1.31 0.00 0.00 55.95 59.74 1b8u s SER 274 Cb 0.00 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.61 1b8u s SER 274 CO 0.00 -1.00 0.00 -1.22 0.41 0.00 0.00 173.24 171.43 1b8u n TYR 275 N -0.39 -0.08 -1.02 2.43 4.01 -1.26 -1.62 117.16 119.24 1b8u n TYR 275 Ca 0.07 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.80 1b8u n TYR 275 Cb 0.46 -3.49 -0.00 0.00 -0.31 0.00 0.00 39.34 36.00 1b8u n TYR 275 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1b8u n GLY 276 N -0.48 0.42 3.70 2.72 0.00 -1.15 -5.00 105.19 105.40 1b8u n GLY 276 Ca -0.21 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 1b8u n GLY 276 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1b8u s ILE 277 N -1.81 4.87 0.39 -0.61 -1.09 -0.64 -4.99 121.20 117.32 1b8u s ILE 277 Ca 0.00 1.89 -0.25 0.00 -2.23 0.00 0.00 60.65 60.06 1b8u s ILE 277 Cb 0.00 -4.25 -0.11 0.00 -1.58 0.00 0.00 42.46 36.52 1b8u s ILE 277 CO 0.00 0.11 1.00 -2.65 -1.23 0.00 0.00 174.94 172.17 1b8u n PRO 278 N 4.40 1.36 -1.90 2.79 -0.02 -1.26 -3.07 135.00 137.29 1b8u n PRO 278 Ca 0.05 0.48 -0.38 0.00 -2.02 0.00 0.00 63.50 61.64 1b8u n PRO 278 Cb 0.50 -1.99 0.03 0.00 -0.02 0.00 0.00 33.50 32.02 1b8u n PRO 278 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1b8u s GLU 279 N -1.89 3.27 0.00 -0.52 2.02 -1.26 -3.01 118.70 117.31 1b8u s GLU 279 Ca 0.62 2.11 0.00 0.00 0.02 0.00 0.00 54.97 57.72 1b8u s GLU 279 Cb -0.59 -2.28 0.00 0.00 0.10 0.00 0.00 34.13 31.36 1b8u s GLU 279 CO 0.58 -1.05 0.00 0.41 0.02 0.00 0.00 175.26 175.22 1b8u n GLY 280 N 0.65 0.66 3.59 -1.39 0.00 -0.58 -4.84 105.19 103.28 1b8u n GLY 280 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 1b8u n GLY 280 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1b8u s VAL 281 N -2.87 4.93 -0.02 1.61 1.01 -1.16 -4.68 120.40 119.21 1b8u s VAL 281 Ca 0.00 0.75 -0.30 0.00 0.00 0.00 0.00 61.98 62.44 1b8u s VAL 281 Cb 0.00 -4.02 -0.07 0.00 0.00 0.00 0.00 36.38 32.29 1b8u s VAL 281 CO 0.00 -0.20 1.77 -0.63 0.00 0.00 0.00 175.10 176.04 1b8u s ILE 282 N 2.63 3.37 -0.07 2.22 -1.09 -1.26 -0.36 121.20 126.65 1b8u s ILE 282 Ca 0.25 0.46 -0.06 0.00 -2.23 0.00 0.00 60.65 59.06 1b8u s ILE 282 Cb -0.15 -3.29 0.02 0.00 -1.58 0.00 0.00 42.46 37.45 1b8u s ILE 282 CO 0.13 -0.04 0.17 0.12 -1.23 0.00 0.00 174.94 174.09 1b8u s PHE 283 N 4.15 -0.19 0.06 3.97 5.36 0.34 -4.78 117.98 126.90 1b8u s PHE 283 Ca 0.79 0.47 -0.30 0.00 -0.96 0.00 0.00 56.93 56.92 1b8u s PHE 283 Cb -0.37 0.06 -0.09 0.00 -0.34 0.00 0.00 43.02 42.29 1b8u s PHE 283 CO 0.34 -0.09 1.78 0.20 -1.46 0.00 0.00 175.22 175.99 1b8u s GLY 284 N 0.10 1.46 0.01 13.12 0.00 -0.04 -1.75 107.32 120.22 1b8u s GLY 284 Ca -0.00 1.27 -0.01 0.00 0.00 0.00 0.00 44.72 45.99 1b8u s GLY 284 CO 0.00 3.13 0.00 -1.36 0.00 0.00 0.00 173.10 174.87 1b8u s PHE 285 N 3.28 0.13 -0.07 1.90 0.08 -0.84 -2.29 117.98 120.17 1b8u s PHE 285 Ca 0.79 -0.27 -0.30 0.00 0.12 0.00 0.00 56.93 57.28 1b8u s PHE 285 Cb -0.42 -0.10 -0.02 0.00 -0.57 0.00 0.00 43.02 41.91 1b8u s PHE 285 CO 0.35 -0.12 1.12 -1.25 -0.10 0.00 0.00 175.22 175.21 1b8u s PRO 286 N -0.87 4.39 0.13 0.24 0.04 -1.26 -2.77 135.00 134.90 1b8u s PRO 286 Ca -0.10 1.55 0.04 0.00 0.04 0.00 0.00 61.00 62.54 1b8u s PRO 286 Cb -0.06 -3.55 -0.04 0.00 0.04 0.00 0.00 34.50 30.89 1b8u s PRO 286 CO -0.00 -0.38 -0.10 0.14 0.04 0.00 0.00 177.00 176.69 1b8u s VAL 287 N 2.10 1.10 0.04 -0.36 -7.23 0.16 -0.60 120.40 115.60 1b8u s VAL 287 Ca 0.53 -1.96 0.08 0.00 -1.81 0.00 0.00 61.98 58.82 1b8u s VAL 287 Cb -0.22 -1.74 -0.03 0.00 0.56 0.00 0.00 36.38 34.96 1b8u s VAL 287 CO 0.20 -0.71 -0.24 0.42 -0.31 0.00 0.00 175.10 174.47 1b8u s THR 288 N -3.15 2.35 0.16 5.32 -4.23 -0.60 -0.29 115.64 115.21 1b8u s THR 288 Ca 0.14 -1.30 0.08 0.00 -1.18 0.00 0.00 61.69 59.42 1b8u s THR 288 Cb 0.02 -1.93 -0.04 0.00 1.34 0.00 0.00 72.50 71.88 1b8u s THR 288 CO 0.00 0.37 -0.04 0.42 -0.54 0.00 0.00 174.62 174.83 1b8u s THR 289 N -0.83 3.53 -0.29 3.99 -4.23 -1.26 -1.12 115.64 115.43 1b8u s THR 289 Ca 0.12 -1.46 -0.26 0.00 -1.18 0.00 0.00 61.69 58.91 1b8u s THR 289 Cb -0.10 -2.75 0.19 0.00 1.34 0.00 0.00 72.50 71.18 1b8u s THR 289 CO 0.03 -0.08 1.42 -0.70 -0.54 0.00 0.00 174.62 174.75 1b8u s GLU 290 N -2.80 0.06 -1.91 3.99 2.12 0.14 -2.93 118.70 117.38 1b8u s GLU 290 Ca 0.26 0.05 0.00 0.00 0.36 0.00 0.00 54.97 55.64 1b8u s GLU 290 Cb -0.09 0.03 0.00 0.00 0.26 0.00 0.00 34.13 34.33 1b8u s GLU 290 CO 0.17 -0.01 0.00 0.09 -0.54 0.00 0.00 175.26 174.97 1b8u n ASN 291 N 1.25 -5.76 0.00 -1.70 5.03 -1.26 -1.69 115.26 111.13 1b8u n ASN 291 Ca -0.07 0.15 0.00 0.00 0.87 0.00 0.00 54.58 55.53 1b8u n ASN 291 Cb 0.57 -4.88 0.00 0.00 -1.02 0.00 0.00 39.78 34.45 1b8u n ASN 291 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1b8u n GLY 292 N -0.82 0.54 3.16 7.41 0.00 -1.26 -5.04 105.19 109.18 1b8u n GLY 292 Ca -0.23 -0.45 -0.10 0.00 0.00 0.00 0.00 46.02 45.24 1b8u n GLY 292 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1b8u s GLU 293 N -0.91 0.69 0.49 1.61 0.41 -0.68 -4.87 118.70 115.44 1b8u s GLU 293 Ca 0.00 -0.76 0.03 0.00 -0.41 0.00 0.00 54.97 53.83 1b8u s GLU 293 Cb 0.00 0.28 0.02 0.00 -1.78 0.00 0.00 34.13 32.65 1b8u s GLU 293 CO 0.00 -0.19 0.69 1.52 -0.49 0.00 0.00 175.26 176.79 1b8u s TYR 294 N -2.90 2.89 -0.24 1.61 -0.85 -1.26 -0.68 117.35 115.92 1b8u s TYR 294 Ca -0.02 -0.12 -0.05 0.00 -0.52 0.00 0.00 57.07 56.36 1b8u s TYR 294 Cb 0.01 -2.57 0.12 0.00 0.38 0.00 0.00 41.96 39.90 1b8u s TYR 294 CO -0.06 -0.65 0.44 0.21 -1.52 0.00 0.00 175.55 173.97 1b8u s LYS 295 N -4.59 0.38 0.24 -3.49 2.20 -0.28 -4.96 119.74 109.24 1b8u s LYS 295 Ca 0.55 0.84 -0.31 0.00 -0.36 0.00 0.00 55.97 56.69 1b8u s LYS 295 Cb -0.10 0.04 -0.12 0.00 -1.51 0.00 0.00 37.83 36.14 1b8u s LYS 295 CO 0.36 -0.47 1.58 -0.89 -0.36 0.00 0.00 175.35 175.58 1b8u n ILE 296 N 5.39 0.61 -2.41 5.43 5.41 -1.26 -1.56 119.36 130.96 1b8u n ILE 296 Ca -0.06 -0.15 -0.42 0.00 1.00 0.00 0.00 62.75 63.12 1b8u n ILE 296 Cb 0.50 -1.80 -0.03 0.00 -0.71 0.00 0.00 39.64 37.60 1b8u n ILE 296 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 1b8u s VAL 297 N 0.40 4.19 0.35 1.39 1.01 0.23 -4.91 120.40 123.07 1b8u s VAL 297 Ca 0.70 1.50 0.08 0.00 0.00 0.00 0.00 61.98 64.26 1b8u s VAL 297 Cb -0.56 -3.97 -0.03 0.00 0.00 0.00 0.00 36.38 31.83 1b8u s VAL 297 CO 0.43 -0.05 0.30 -1.10 0.00 0.00 0.00 175.10 174.68 1b8u s GLN 298 N 2.69 2.67 0.00 2.72 -1.52 -1.26 -4.65 119.66 120.31 1b8u s GLN 298 Ca 0.57 -1.35 0.00 0.00 -1.95 0.00 0.00 55.36 52.63 1b8u s GLN 298 Cb -0.25 -2.44 0.00 0.00 -0.22 0.00 0.00 33.01 30.10 1b8u s GLN 298 CO 0.20 0.05 0.00 0.41 -0.25 0.00 0.00 175.29 175.70 1b8u n GLY 299 N -1.39 1.29 3.74 3.09 0.00 -1.26 -5.00 105.19 105.66 1b8u n GLY 299 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 1b8u n GLY 299 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1b8u s LEU 300 N 0.00 4.36 0.01 0.99 1.43 -1.26 -4.91 118.68 119.30 1b8u s LEU 300 Ca 0.00 2.90 -0.30 0.00 -1.03 0.00 0.00 54.13 55.69 1b8u s LEU 300 Cb 0.00 -3.62 -0.05 0.00 0.03 0.00 0.00 46.19 42.55 1b8u s LEU 300 CO 0.00 -0.93 1.28 -0.44 0.23 0.00 0.00 176.35 176.49 1b8u s SER 301 N 0.82 6.97 -0.59 2.29 0.01 -1.26 -4.99 113.70 116.95 1b8u s SER 301 Ca 0.69 2.02 -0.07 0.00 1.31 0.00 0.00 55.95 59.89 1b8u s SER 301 Cb -0.48 -2.57 0.15 0.00 0.21 0.00 0.00 66.02 63.33 1b8u s SER 301 CO 0.40 -0.60 0.45 -0.63 0.41 0.00 0.00 173.24 173.27 1b8u s ILE 302 N 1.84 4.17 1.20 1.44 -1.09 -1.26 -5.07 121.20 122.44 1b8u s ILE 302 Ca 0.60 -2.43 -0.19 0.00 -2.23 0.00 0.00 60.65 56.41 1b8u s ILE 302 Cb -0.29 -3.71 0.29 0.00 -1.58 0.00 0.00 42.46 37.16 1b8u s ILE 302 CO 0.26 -0.86 1.09 1.51 -1.23 0.00 0.00 174.94 175.72 1b8u s ASP 303 N 1.68 0.90 0.15 3.58 1.47 -1.26 -4.59 116.67 118.60 1b8u s ASP 303 Ca 0.13 0.70 -0.17 0.00 1.18 0.00 0.00 52.55 54.39 1b8u s ASP 303 Cb -0.20 -1.00 0.06 0.00 -0.34 0.00 0.00 42.92 41.44 1b8u s ASP 303 CO -0.04 -4.15 1.72 0.00 0.68 0.00 0.00 175.17 173.38 1b8u h ALA 304 N -2.59 0.32 -0.85 2.11 0.00 -1.99 -0.61 119.26 115.64 1b8u h ALA 304 Ca -0.46 0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.55 1b8u h ALA 304 Cb 1.30 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 19.17 1b8u h ALA 304 CO 0.36 -0.38 0.56 0.35 0.00 0.00 0.00 179.25 180.14 1b8u h PHE 305 N 0.13 1.06 -0.01 0.00 3.57 -2.00 -2.57 116.94 117.12 1b8u h PHE 305 Ca 0.16 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.68 1b8u h PHE 305 Cb 0.20 -0.35 -0.00 0.00 2.79 0.00 0.00 35.95 38.58 1b8u h PHE 305 CO -0.21 0.64 -0.01 0.77 -2.23 0.00 0.00 178.31 177.27 1b8u h SER 306 N 1.12 0.03 0.27 0.41 0.02 -1.65 -2.26 113.55 111.49 1b8u h SER 306 Ca 0.33 -0.48 -0.02 0.00 -0.84 0.00 0.00 61.79 60.78 1b8u h SER 306 Cb -0.07 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 62.46 1b8u h SER 306 CO -0.09 0.50 -0.09 -0.61 -1.14 0.00 0.00 176.83 175.41 1b8u h GLN 307 N -0.44 0.00 -0.14 3.45 5.75 -1.17 0.48 115.11 123.04 1b8u h GLN 307 Ca 0.00 0.00 -0.05 0.00 -0.15 0.00 0.00 58.65 58.45 1b8u h GLN 307 Cb 0.49 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.04 1b8u h GLN 307 CO 0.00 0.09 -0.11 1.49 -2.65 0.00 0.00 178.83 177.65 1b8u h GLU 308 N 0.00 0.31 -0.23 1.69 4.57 -1.36 0.21 114.58 119.77 1b8u h GLU 308 Ca -0.00 -0.15 -0.13 0.00 -1.18 0.00 0.00 59.36 57.89 1b8u h GLU 308 Cb 0.24 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.82 1b8u h GLU 308 CO 0.01 0.68 -0.41 0.00 -1.18 0.00 0.00 179.01 178.11 1b8u h ARG 309 N -0.05 0.56 0.00 1.92 2.47 -0.75 -2.00 114.38 116.53 1b8u h ARG 309 Ca 0.03 -0.29 -0.04 0.00 -1.26 0.00 0.00 59.98 58.41 1b8u h ARG 309 Cb 0.61 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.93 1b8u h ARG 309 CO 0.03 0.87 -0.21 0.82 0.56 0.00 0.00 179.97 182.04 1b8u h ILE 310 N 0.46 0.65 0.09 2.04 2.04 0.03 -2.74 117.51 120.09 1b8u h ILE 310 Ca 0.04 -0.94 -0.00 0.00 1.00 0.00 0.00 64.86 64.95 1b8u h ILE 310 Cb 0.92 1.61 0.00 0.00 -0.74 0.00 0.00 36.82 38.60 1b8u h ILE 310 CO 0.08 0.21 -0.04 -1.13 0.00 0.00 0.00 178.15 177.27 1b8u h ASN 311 N 0.00 -0.10 -0.72 1.72 -0.73 0.12 -2.34 115.58 113.52 1b8u h ASN 311 Ca -0.00 -0.44 0.01 0.00 1.87 0.00 0.00 56.30 57.74 1b8u h ASN 311 Cb 0.59 0.03 -0.04 0.00 0.27 0.00 0.00 38.32 39.17 1b8u h ASN 311 CO 0.03 0.42 0.48 0.58 -0.37 0.00 0.00 177.43 178.57 1b8u h VAL 312 N -0.66 1.18 -0.00 2.57 2.07 -1.30 -1.69 116.25 118.43 1b8u h VAL 312 Ca -0.01 -0.34 -0.22 0.00 0.82 0.00 0.00 66.70 66.95 1b8u h VAL 312 Cb 0.53 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.42 1b8u h VAL 312 CO 0.02 0.18 -0.93 0.00 0.02 0.00 0.00 177.57 176.86 1b8u h THR 313 N 0.98 1.40 -0.31 2.57 1.03 -1.54 -2.91 112.91 114.13 1b8u h THR 313 Ca 0.27 -2.43 -0.13 0.00 -0.01 0.00 0.00 66.41 64.10 1b8u h THR 313 Cb -0.11 2.40 -0.01 0.00 -1.07 0.00 0.00 68.15 69.36 1b8u h THR 313 CO -0.06 0.73 -0.35 0.25 -0.01 0.00 0.00 175.52 176.08 1b8u h LEU 314 N 0.24 0.72 -0.61 0.00 5.85 -1.25 -2.75 115.31 117.51 1b8u h LEU 314 Ca -0.08 -0.30 -0.02 0.00 0.84 0.00 0.00 57.88 58.32 1b8u h LEU 314 Cb 1.57 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 42.37 1b8u h LEU 314 CO 0.16 1.00 0.30 -1.13 -0.34 0.00 0.00 178.44 178.43 1b8u h ASN 315 N 0.58 0.80 -0.60 1.25 -0.73 -1.33 0.29 115.58 115.83 1b8u h ASN 315 Ca 0.06 -0.13 -0.02 0.00 1.87 0.00 0.00 56.30 58.09 1b8u h ASN 315 Cb 0.87 -0.21 -0.03 0.00 0.27 0.00 0.00 38.32 39.22 1b8u h ASN 315 CO 0.08 0.70 0.31 -0.08 -0.37 0.00 0.00 177.43 178.07 1b8u h GLU 316 N 0.84 0.85 -0.17 6.67 4.81 -1.48 0.54 114.58 126.64 1b8u h GLU 316 Ca 0.21 -0.11 -0.02 0.00 -0.13 0.00 0.00 59.36 59.31 1b8u h GLU 316 Cb 0.11 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 1b8u h GLU 316 CO -0.03 0.66 0.03 -0.07 -0.73 0.00 0.00 179.01 178.88 1b8u h LEU 317 N 0.82 0.27 -1.76 1.64 3.38 -1.16 -1.43 115.31 117.07 1b8u h LEU 317 Ca 0.21 -0.25 0.01 0.00 0.09 0.00 0.00 57.88 57.94 1b8u h LEU 317 Cb 0.08 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1b8u h LEU 317 CO -0.03 0.45 0.17 -0.07 0.09 0.00 0.00 178.44 179.05 1b8u h LEU 318 N 0.08 0.28 -0.25 1.67 3.38 -0.23 -0.55 115.31 119.69 1b8u h LEU 318 Ca 0.05 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 1b8u h LEU 318 Cb 0.29 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1b8u h LEU 318 CO 0.00 0.20 -0.01 -0.33 0.09 0.00 0.00 178.44 178.39 1b8u h GLU 319 N 0.33 0.46 -0.20 1.13 5.08 -0.50 -2.10 114.58 118.78 1b8u h GLU 319 Ca 0.10 -0.15 -0.08 0.00 -1.00 0.00 0.00 59.36 58.22 1b8u h GLU 319 Cb -0.01 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 1b8u h GLU 319 CO -0.02 0.64 -0.23 0.93 -1.00 0.00 0.00 179.01 179.33 1b8u h GLU 320 N 0.23 0.37 -0.33 2.33 5.08 -0.67 -2.65 114.58 118.94 1b8u h GLU 320 Ca 0.07 -0.12 -0.08 0.00 -1.00 0.00 0.00 59.36 58.23 1b8u h GLU 320 Cb 0.44 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 1b8u h GLU 320 CO 0.02 0.58 -0.11 0.37 -1.00 0.00 0.00 179.01 178.87 1b8u h GLN 321 N 0.33 0.65 -0.56 2.33 4.15 -1.05 -2.70 115.11 118.26 1b8u h GLN 321 Ca 0.05 -0.26 0.05 0.00 0.77 0.00 0.00 58.65 59.26 1b8u h GLN 321 Cb 0.59 -0.03 -0.05 0.00 0.21 0.00 0.00 27.48 28.21 1b8u h GLN 321 CO 0.04 0.84 0.29 -0.97 -1.93 0.00 0.00 178.83 177.11 1b8u h ASN 322 N 0.42 0.43 1.19 -0.69 -0.73 -1.25 -1.94 115.58 113.01 1b8u h ASN 322 Ca 0.08 0.03 0.00 0.00 1.87 0.00 0.00 56.30 58.28 1b8u h ASN 322 Cb 0.62 -0.05 0.00 0.00 0.27 0.00 0.00 38.32 39.16 1b8u h ASN 322 CO 0.04 0.29 0.00 1.23 -0.37 0.00 0.00 177.43 178.62 1b8u h GLY 323 N 0.56 0.00 -1.42 1.57 0.00 -1.36 -3.14 103.07 99.29 1b8u h GLY 323 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.58 1b8u h GLY 323 CO -0.16 0.00 -0.09 3.33 0.00 0.00 0.00 176.54 179.62 1b8u n VAL 324 N -2.94 0.00 -0.20 4.60 0.24 -0.96 -4.51 118.33 114.57 1b8u n VAL 324 Ca 0.02 -0.45 -0.06 0.00 -2.04 0.00 0.00 64.34 61.81 1b8u n VAL 324 Cb 0.34 1.37 0.04 0.00 -1.47 0.00 0.00 33.84 34.12 1b8u n VAL 324 CO 0.00 0.00 0.00 1.56 -2.14 0.00 0.00 176.83 176.25 1b8u h GLN 325 N 3.46 0.70 0.00 7.34 4.20 -1.31 -2.53 115.11 126.97 1b8u h GLN 325 Ca 0.00 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1b8u h GLN 325 Cb 0.78 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.40 1b8u h GLN 325 CO 0.00 0.46 0.00 -2.39 -0.67 0.00 0.00 178.83 176.23 1b8u n HIS 326 N -4.73 0.29 0.98 2.96 1.44 -1.26 -0.48 115.22 114.43 1b8u n HIS 326 Ca 0.04 0.15 0.11 0.00 -2.01 0.00 0.00 57.72 56.01 1b8u n HIS 326 Cb 0.05 -0.74 0.01 0.00 0.12 0.00 0.00 29.99 29.44 1b8u n HIS 326 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1b8u n LEU 327 N -1.80 0.81 -2.35 2.39 7.99 -0.96 -4.28 117.00 118.80 1b8u n LEU 327 Ca -0.00 -0.31 -0.35 0.00 -0.01 0.00 0.00 56.01 55.34 1b8u n LEU 327 Cb 0.04 -0.09 0.08 0.00 -0.11 0.00 0.00 43.42 43.33 1b8u n LEU 327 CO 0.05 0.20 1.45 0.18 -1.51 0.00 0.00 177.39 177.76 1b8u n LEU 328 N -1.52 7.68 0.00 2.23 4.32 0.37 -5.02 117.00 125.06 1b8u n LEU 328 Ca 0.04 -4.32 0.04 0.00 -0.02 0.00 0.00 56.01 51.76 1b8u n LEU 328 Cb 0.34 -0.98 0.25 0.00 -1.62 0.00 0.00 43.42 41.41 1b8u n LEU 328 CO 0.40 1.49 0.48 0.61 -1.22 0.00 0.00 177.39 179.15