#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bqs n LYS 2 N 0.00 0.00 -0.65 7.34 3.00 -1.26 -5.01 118.16 121.59 1bqs n LYS 2 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 58.31 58.35 1bqs n LYS 2 Cb 0.00 -0.13 0.27 0.00 0.00 0.00 0.00 35.03 35.17 1bqs n LYS 2 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 1bqs n PRO 3 N -3.18 3.09 -4.40 1.64 -0.04 -1.26 -5.05 135.00 125.79 1bqs n PRO 3 Ca 0.00 -2.97 -0.33 0.00 -0.04 0.00 0.00 63.50 60.16 1bqs n PRO 3 Cb 0.05 -1.95 -0.16 0.00 -0.04 0.00 0.00 33.50 31.40 1bqs n PRO 3 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1bqs s LEU 4 N -2.92 2.09 0.08 1.53 0.20 -1.26 -0.81 118.68 117.59 1bqs s LEU 4 Ca 0.46 -0.62 0.08 0.00 0.69 0.00 0.00 54.13 54.74 1bqs s LEU 4 Cb 0.38 -1.44 -0.03 0.00 -0.43 0.00 0.00 46.19 44.66 1bqs s LEU 4 CO 0.09 0.04 -0.20 -1.10 -0.29 0.00 0.00 176.35 174.89 1bqs s GLN 5 N 1.05 1.13 -0.05 1.98 -1.52 0.35 -4.96 119.66 117.64 1bqs s GLN 5 Ca -0.01 -1.08 0.04 0.00 -1.95 0.00 0.00 55.36 52.36 1bqs s GLN 5 Cb -0.14 -1.33 -0.00 0.00 -0.22 0.00 0.00 33.01 31.31 1bqs s GLN 5 CO -0.07 0.32 -0.16 0.08 -0.25 0.00 0.00 175.29 175.20 1bqs s VAL 6 N -1.08 1.37 -0.17 1.09 1.01 -1.26 0.13 120.40 121.49 1bqs s VAL 6 Ca 0.06 -0.67 0.00 0.00 0.00 0.00 0.00 61.98 61.37 1bqs s VAL 6 Cb -0.10 -1.18 0.03 0.00 0.00 0.00 0.00 36.38 35.13 1bqs s VAL 6 CO 0.03 0.40 -0.12 -1.61 0.00 0.00 0.00 175.10 173.80 1bqs s GLU 7 N 0.13 2.11 0.53 2.72 2.02 0.09 -3.03 118.70 123.27 1bqs s GLU 7 Ca -0.05 -0.68 -0.18 0.00 0.02 0.00 0.00 54.97 54.08 1bqs s GLU 7 Cb -0.12 -2.23 -0.06 0.00 0.10 0.00 0.00 34.13 31.82 1bqs s GLU 7 CO 0.02 -0.33 1.03 -1.25 0.02 0.00 0.00 175.26 174.75 1bqs s PRO 8 N 1.46 3.65 0.15 0.39 0.04 -1.26 -0.57 135.00 138.86 1bqs s PRO 8 Ca 0.02 1.20 -0.05 0.00 0.04 0.00 0.00 61.00 62.21 1bqs s PRO 8 Cb -0.14 -2.08 -0.00 0.00 0.04 0.00 0.00 34.50 32.31 1bqs s PRO 8 CO -0.09 -0.54 1.40 -1.00 0.04 0.00 0.00 177.00 176.81 1bqs h PRO 9 N 0.99 0.55 -4.22 0.56 0.13 -1.96 -3.48 132.00 124.57 1bqs h PRO 9 Ca -0.48 -0.44 -0.54 0.00 -0.87 0.00 0.00 66.00 63.68 1bqs h PRO 9 Cb 1.21 0.09 0.04 0.00 0.13 0.00 0.00 31.00 32.47 1bqs h PRO 9 CO 0.59 1.06 -0.05 -1.91 -0.23 0.00 0.00 178.00 177.46 1bqs n GLU 10 N -3.88 0.00 0.24 0.86 2.13 -1.26 -4.82 120.64 113.91 1bqs n GLU 10 Ca -0.05 0.00 0.10 0.00 0.66 0.00 0.00 57.16 57.87 1bqs n GLU 10 Cb 0.71 -0.97 0.57 0.00 0.27 0.00 0.00 31.44 32.02 1bqs n GLU 10 CO 0.00 0.00 0.00 -1.00 -0.41 0.00 0.00 177.13 175.72 1bqs h PRO 11 N 1.78 0.00 -4.48 5.31 0.13 -1.92 -3.42 132.00 129.41 1bqs h PRO 11 Ca -0.32 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.31 1bqs h PRO 11 Cb 1.01 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 31.80 1bqs h PRO 11 CO 0.44 0.20 -0.81 0.08 -0.23 0.00 0.00 178.00 177.68 1bqs s VAL 12 N -3.95 1.07 -0.17 1.56 1.01 -1.26 -1.23 120.40 117.43 1bqs s VAL 12 Ca -0.01 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 61.53 1bqs s VAL 12 Cb 0.12 -0.99 0.03 0.00 0.00 0.00 0.00 36.38 35.54 1bqs s VAL 12 CO 0.62 0.34 -0.11 -0.69 0.00 0.00 0.00 175.10 175.27 1bqs s VAL 13 N 0.73 1.52 -0.09 2.92 1.01 -0.33 -4.96 120.40 121.21 1bqs s VAL 13 Ca -0.14 -0.80 -0.15 0.00 0.00 0.00 0.00 61.98 60.90 1bqs s VAL 13 Cb -0.16 -1.55 -0.05 0.00 0.00 0.00 0.00 36.38 34.62 1bqs s VAL 13 CO 0.03 0.27 0.37 0.00 0.00 0.00 0.00 175.10 175.77 1bqs s ALA 14 N 1.47 3.62 -0.05 5.51 0.00 -1.26 -0.38 121.76 130.68 1bqs s ALA 14 Ca 0.01 -0.32 0.00 0.00 0.00 0.00 0.00 51.96 51.66 1bqs s ALA 14 Cb -0.15 -2.42 0.02 0.00 0.00 0.00 0.00 23.12 20.58 1bqs s ALA 14 CO -0.09 0.25 -0.03 0.54 0.00 0.00 0.00 175.76 176.43 1bqs s VAL 15 N -0.18 0.48 0.42 0.00 0.11 0.17 -4.94 120.40 116.47 1bqs s VAL 15 Ca 0.21 -0.05 -0.25 0.00 -2.93 0.00 0.00 61.98 58.96 1bqs s VAL 15 Cb -0.15 -0.54 -0.08 0.00 -1.53 0.00 0.00 36.38 34.08 1bqs s VAL 15 CO 0.09 0.23 1.25 0.00 -3.33 0.00 0.00 175.10 173.34 1bqs s ALA 16 N 1.21 3.16 0.32 1.54 0.00 -1.26 -1.98 121.76 124.74 1bqs s ALA 16 Ca -0.07 1.13 -0.27 0.00 0.00 0.00 0.00 51.96 52.75 1bqs s ALA 16 Cb -0.14 -3.45 -0.13 0.00 0.00 0.00 0.00 23.12 19.40 1bqs s ALA 16 CO -0.02 -0.76 0.96 -0.11 0.00 0.00 0.00 175.76 175.83 1bqs n LEU 17 N -0.05 1.69 0.00 0.00 0.00 0.27 -1.23 117.00 117.69 1bqs n LEU 17 Ca 0.05 1.13 0.00 0.00 0.00 0.00 0.00 56.01 57.19 1bqs n LEU 17 Cb 0.45 -1.28 0.00 0.00 0.00 0.00 0.00 43.42 42.59 1bqs n LEU 17 CO 0.53 -1.58 0.00 0.61 0.00 0.00 0.00 177.39 176.95 1bqs n GLY 18 N 1.28 1.73 0.00 -3.96 0.00 0.46 -4.83 105.19 99.87 1bqs n GLY 18 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1bqs n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bqs n ALA 19 N 0.49 0.00 -2.48 4.61 0.00 -0.37 -3.99 120.51 118.78 1bqs n ALA 19 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 1bqs n ALA 19 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 1bqs n ALA 19 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1bqs s SER 20 N -1.00 0.21 -0.17 0.00 0.01 -1.26 0.29 113.70 111.78 1bqs s SER 20 Ca 0.00 -0.70 -0.24 0.00 1.31 0.00 0.00 55.95 56.32 1bqs s SER 20 Cb 0.00 0.29 0.06 0.00 0.21 0.00 0.00 66.02 66.58 1bqs s SER 20 CO 0.00 -0.66 0.62 -0.60 0.41 0.00 0.00 173.24 173.01 1bqs s ARG 21 N -3.63 0.81 -0.04 12.44 3.52 -0.04 -4.99 118.95 127.01 1bqs s ARG 21 Ca 0.04 0.64 0.03 0.00 -0.13 0.00 0.00 55.73 56.30 1bqs s ARG 21 Cb 0.04 0.39 0.01 0.00 -1.56 0.00 0.00 34.95 33.83 1bqs s ARG 21 CO -0.10 -0.15 -0.11 1.14 -0.81 0.00 0.00 175.30 175.27 1bqs s GLN 22 N -0.17 1.38 -0.16 5.12 -2.07 -1.26 -0.17 119.66 122.33 1bqs s GLN 22 Ca -0.04 -0.39 -0.01 0.00 -1.82 0.00 0.00 55.36 53.10 1bqs s GLN 22 Cb -0.03 -1.20 -0.01 0.00 -1.09 0.00 0.00 33.01 30.67 1bqs s GLN 22 CO 0.03 0.10 -0.10 -0.51 -1.32 0.00 0.00 175.29 173.49 1bqs s LEU 23 N 0.38 2.76 -0.25 2.60 1.43 0.33 -4.51 118.68 121.42 1bqs s LEU 23 Ca -0.08 -0.36 -0.07 0.00 -1.03 0.00 0.00 54.13 52.60 1bqs s LEU 23 Cb -0.12 -1.65 -0.02 0.00 0.03 0.00 0.00 46.19 44.43 1bqs s LEU 23 CO 0.02 0.10 0.06 -0.89 0.23 0.00 0.00 176.35 175.87 1bqs s THR 24 N 0.74 4.16 -0.24 5.49 2.01 0.26 0.14 115.64 128.20 1bqs s THR 24 Ca -0.05 -0.27 -0.07 0.00 0.31 0.00 0.00 61.69 61.61 1bqs s THR 24 Cb -0.15 -2.96 -0.03 0.00 0.01 0.00 0.00 72.50 69.37 1bqs s THR 24 CO 0.02 0.32 0.08 0.00 -0.69 0.00 0.00 174.62 174.34 1bqs s ARG 26 N 1.46 1.92 -0.07 0.00 0.52 0.36 -2.63 118.95 120.51 1bqs s ARG 26 Ca 0.06 -1.07 0.01 0.00 -0.52 0.00 0.00 55.73 54.20 1bqs s ARG 26 Cb -0.15 -2.12 0.02 0.00 0.52 0.00 0.00 34.95 33.22 1bqs s ARG 26 CO 0.04 0.52 -0.08 -1.17 0.02 0.00 0.00 175.30 174.63 1bqs s LEU 27 N -1.63 1.33 -0.55 2.53 2.96 -1.26 -0.49 118.68 121.56 1bqs s LEU 27 Ca 0.15 -0.23 -0.20 0.00 -0.22 0.00 0.00 54.13 53.63 1bqs s LEU 27 Cb -0.10 -0.69 0.07 0.00 0.50 0.00 0.00 46.19 45.96 1bqs s LEU 27 CO 0.06 -0.05 0.73 0.00 -1.32 0.00 0.00 176.35 175.77 1bqs s ALA 28 N 1.15 3.32 -0.13 5.97 0.00 0.01 -5.02 121.76 127.06 1bqs s ALA 28 Ca -0.06 -1.78 0.03 0.00 0.00 0.00 0.00 51.96 50.14 1bqs s ALA 28 Cb -0.14 -3.51 0.01 0.00 0.00 0.00 0.00 23.12 19.48 1bqs s ALA 28 CO -0.01 -2.23 -0.21 0.00 0.00 0.00 0.00 175.76 173.30 1bqs h ALA 30 N 7.28 1.00 -5.75 0.00 0.00 -1.96 -3.47 119.26 116.36 1bqs h ALA 30 Ca -0.31 0.00 -0.41 0.00 0.00 0.00 0.00 54.91 54.19 1bqs h ALA 30 Cb 1.19 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 1bqs h ALA 30 CO 0.53 0.00 -0.12 -0.25 0.00 0.00 0.00 179.25 179.41 1bqs n ASP 31 N -2.71 1.96 -0.05 0.00 8.00 -1.26 -5.07 116.55 117.42 1bqs n ASP 31 Ca 0.04 -2.32 -0.17 0.00 0.71 0.00 0.00 54.79 53.06 1bqs n ASP 31 Cb 0.47 -0.19 -0.13 0.00 -0.02 0.00 0.00 41.12 41.24 1bqs n ASP 31 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 1bqs h ARG 32 N 0.00 0.07 0.00 -1.24 2.43 -2.00 -3.35 114.38 110.28 1bqs h ARG 32 Ca -0.24 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 58.81 1bqs h ARG 32 Cb 0.97 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.57 1bqs h ARG 32 CO 0.36 1.06 0.14 0.41 -1.51 0.00 0.00 179.97 180.42 1bqs n GLY 33 N 1.59 -0.74 2.12 2.80 0.00 -1.26 -4.84 105.19 104.86 1bqs n GLY 33 Ca -0.17 0.16 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 1bqs n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bqs n ALA 34 N -1.67 -2.08 -3.10 4.61 0.00 -1.26 -4.89 120.51 112.12 1bqs n ALA 34 Ca -0.01 0.35 -0.12 0.00 0.00 0.00 0.00 53.44 53.65 1bqs n ALA 34 Cb 0.16 -1.07 -0.11 0.00 0.00 0.00 0.00 19.45 18.43 1bqs n ALA 34 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1bqs s SER 35 N 0.34 -0.16 -0.01 0.00 0.15 -0.81 -5.00 113.70 108.20 1bqs s SER 35 Ca 0.56 0.27 0.07 0.00 0.70 0.00 0.00 55.95 57.54 1bqs s SER 35 Cb -0.78 0.37 -0.02 0.00 -1.71 0.00 0.00 66.02 63.88 1bqs s SER 35 CO 0.37 -0.15 -0.21 -0.69 1.20 0.00 0.00 173.24 173.75 1bqs s VAL 36 N -0.28 1.69 0.00 4.45 1.01 -1.26 -1.20 120.40 124.81 1bqs s VAL 36 Ca -0.04 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.01 1bqs s VAL 36 Cb -0.03 -1.41 -0.00 0.00 0.00 0.00 0.00 36.38 34.94 1bqs s VAL 36 CO 0.01 0.46 -0.01 -1.58 0.00 0.00 0.00 175.10 173.97 1bqs s GLN 37 N -0.55 0.10 -0.18 2.72 0.74 -0.09 -5.00 119.66 117.40 1bqs s GLN 37 Ca 0.08 -0.07 -0.04 0.00 0.05 0.00 0.00 55.36 55.38 1bqs s GLN 37 Cb -0.08 -0.08 -0.02 0.00 1.10 0.00 0.00 33.01 33.93 1bqs s GLN 37 CO -0.01 0.02 -0.03 -1.58 -0.55 0.00 0.00 175.29 173.14 1bqs s TRP 38 N -0.10 3.00 0.29 1.67 0.52 -1.26 -1.18 118.94 121.88 1bqs s TRP 38 Ca -0.00 -0.48 0.05 0.00 0.02 0.00 0.00 56.10 55.68 1bqs s TRP 38 Cb -0.01 -2.02 -0.02 0.00 -1.15 0.00 0.00 33.47 30.27 1bqs s TRP 38 CO -0.00 -0.21 0.28 2.89 0.02 0.00 0.00 176.95 179.94 1bqs n ARG 39 N 4.00 0.41 0.00 4.98 1.85 -0.11 -4.96 116.66 122.83 1bqs n ARG 39 Ca -0.17 -2.75 0.00 0.00 -1.00 0.00 0.00 57.85 53.92 1bqs n ARG 39 Cb 0.52 2.34 0.00 0.00 -1.05 0.00 0.00 32.46 34.27 1bqs n ARG 39 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1bqs n GLY 40 N -0.53 1.15 0.00 2.89 0.00 -1.26 -1.01 105.19 106.42 1bqs n GLY 40 Ca 0.05 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1bqs n GLY 40 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1bqs n LEU 41 N 0.00 0.00 0.00 0.99 0.00 -1.26 -5.06 117.00 111.67 1bqs n LEU 41 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 1bqs n LEU 41 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.42 1bqs n LEU 41 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 177.39 177.86 1bqs n ASP 42 N -0.44 0.00 -1.15 1.96 8.00 -1.26 -5.08 116.55 118.58 1bqs n ASP 42 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1bqs n ASP 42 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1bqs n ASP 42 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1bqs n THR 43 N 0.00 0.00 0.00 -3.53 -1.04 -1.26 -4.75 114.28 103.70 1bqs n THR 43 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1bqs n THR 43 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1bqs n THR 43 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1bqs n SER 44 N 0.13 0.00 0.00 8.00 3.41 -1.26 -4.33 113.62 119.57 1bqs n SER 44 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1bqs n SER 44 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1bqs n SER 44 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1bqs n LEU 45 N 0.00 0.00 -4.71 1.04 4.77 -1.26 -2.86 117.00 113.98 1bqs n LEU 45 Ca 0.00 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.75 1bqs n LEU 45 Cb 0.00 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.02 1bqs n LEU 45 CO 0.00 0.00 -0.23 -0.83 -1.33 0.00 0.00 177.39 175.00 1bqs s GLY 46 N -2.00 1.94 0.13 -0.72 0.00 -1.25 -0.66 107.32 104.77 1bqs s GLY 46 Ca 0.00 -1.83 0.03 0.00 0.00 0.00 0.00 44.72 42.91 1bqs s GLY 46 CO 0.00 -1.78 0.09 0.00 0.00 0.00 0.00 173.10 171.42 1bqs n ALA 47 N -1.10 0.26 -3.68 3.20 0.00 0.31 -4.84 120.51 114.65 1bqs n ALA 47 Ca -0.04 -0.74 -0.15 0.00 0.00 0.00 0.00 53.44 52.51 1bqs n ALA 47 Cb 0.61 0.58 -0.15 0.00 0.00 0.00 0.00 19.45 20.49 1bqs n ALA 47 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1bqs s VAL 48 N -2.42 -0.25 0.01 0.00 1.01 -1.26 -1.75 120.40 115.74 1bqs s VAL 48 Ca 0.13 0.29 0.07 0.00 0.00 0.00 0.00 61.98 62.48 1bqs s VAL 48 Cb 0.01 -0.33 -0.03 0.00 0.00 0.00 0.00 36.38 36.03 1bqs s VAL 48 CO 0.09 0.12 -0.21 -1.58 0.00 0.00 0.00 175.10 173.53 1bqs s GLN 49 N 2.06 2.11 0.05 2.72 0.74 -0.63 -4.96 119.66 121.75 1bqs s GLN 49 Ca -0.00 -0.94 0.05 0.00 0.05 0.00 0.00 55.36 54.52 1bqs s GLN 49 Cb -0.12 -2.14 -0.02 0.00 1.10 0.00 0.00 33.01 31.82 1bqs s GLN 49 CO -0.07 0.56 -0.14 -1.12 -0.55 0.00 0.00 175.29 173.97 1bqs s SER 50 N -1.04 1.60 0.00 6.67 0.01 -1.25 -0.41 113.70 119.29 1bqs s SER 50 Ca 0.12 -0.51 0.00 0.00 1.31 0.00 0.00 55.95 56.88 1bqs s SER 50 Cb -0.10 -0.08 0.00 0.00 0.21 0.00 0.00 66.02 66.05 1bqs s SER 50 CO 0.02 -0.01 0.00 0.47 0.41 0.00 0.00 173.24 174.13 1bqs n ASP 51 N 1.70 0.00 -2.76 2.44 8.00 0.31 -4.95 116.55 121.29 1bqs n ASP 51 Ca -0.19 0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.03 1bqs n ASP 51 Cb 0.55 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.63 1bqs n ASP 51 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1bqs n THR 52 N -2.00 2.93 0.00 -3.53 -1.04 -1.26 -4.52 114.28 104.86 1bqs n THR 52 Ca 0.00 -5.25 0.00 0.00 -2.04 0.00 0.00 64.05 56.76 1bqs n THR 52 Cb 0.00 -1.34 0.00 0.00 -1.82 0.00 0.00 70.33 67.17 1bqs n THR 52 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1bqs n GLY 53 N -0.36 1.06 6.73 3.41 0.00 -1.26 -4.91 105.19 109.86 1bqs n GLY 53 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.39 1bqs n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bqs n ARG 54 N -0.01 0.00 -3.70 1.61 5.12 -1.26 -4.34 116.66 114.09 1bqs n ARG 54 Ca 0.00 0.00 -0.23 0.00 -1.93 0.00 0.00 57.85 55.69 1bqs n ARG 54 Cb 0.00 0.00 -0.17 0.00 -1.16 0.00 0.00 32.46 31.13 1bqs n ARG 54 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1bqs s SER 55 N -4.00 1.72 -0.15 0.55 0.15 -1.08 0.11 113.70 111.00 1bqs s SER 55 Ca 0.00 -0.21 -0.08 0.00 0.70 0.00 0.00 55.95 56.36 1bqs s SER 55 Cb 0.00 -0.30 -0.04 0.00 -1.71 0.00 0.00 66.02 63.96 1bqs s SER 55 CO 0.00 -0.26 0.12 -0.69 1.20 0.00 0.00 173.24 173.61 1bqs s VAL 56 N 2.07 5.34 -0.25 4.45 1.01 0.45 -1.51 120.40 131.96 1bqs s VAL 56 Ca 0.04 0.16 -0.07 0.00 0.00 0.00 0.00 61.98 62.11 1bqs s VAL 56 Cb -0.13 -3.37 -0.02 0.00 0.00 0.00 0.00 36.38 32.86 1bqs s VAL 56 CO -0.05 0.54 0.05 -0.22 0.00 0.00 0.00 175.10 175.42 1bqs s LEU 57 N -0.43 3.40 -0.17 3.92 1.98 0.37 -1.61 118.68 126.14 1bqs s LEU 57 Ca 0.11 -0.31 0.00 0.00 -2.89 0.00 0.00 54.13 51.05 1bqs s LEU 57 Cb -0.12 -1.89 0.01 0.00 0.66 0.00 0.00 46.19 44.86 1bqs s LEU 57 CO 0.02 -0.05 -0.17 -0.89 -1.89 0.00 0.00 176.35 173.36 1bqs s THR 58 N 1.58 2.41 -0.23 3.68 2.01 -0.72 0.12 115.64 124.49 1bqs s THR 58 Ca 0.06 -0.83 -0.09 0.00 0.31 0.00 0.00 61.69 61.14 1bqs s THR 58 Cb -0.15 -2.02 -0.04 0.00 0.01 0.00 0.00 72.50 70.29 1bqs s THR 58 CO 0.02 0.52 0.11 -0.69 -0.69 0.00 0.00 174.62 173.89 1bqs s VAL 59 N 1.13 4.85 0.09 3.82 1.01 0.77 0.11 120.40 132.17 1bqs s VAL 59 Ca 0.01 0.00 0.09 0.00 0.00 0.00 0.00 61.98 62.08 1bqs s VAL 59 Cb -0.14 -3.25 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 1bqs s VAL 59 CO -0.07 0.36 -0.24 -0.13 0.00 0.00 0.00 175.10 175.03 1bqs s ARG 60 N 1.15 1.70 -1.25 2.72 1.81 0.17 -0.86 118.95 124.39 1bqs s ARG 60 Ca 0.06 -1.19 -0.07 0.00 -1.72 0.00 0.00 55.73 52.81 1bqs s ARG 60 Cb -0.14 -2.01 0.01 0.00 -0.45 0.00 0.00 34.95 32.36 1bqs s ARG 60 CO 0.04 0.49 0.14 -1.71 -0.68 0.00 0.00 175.30 173.58 1bqs n ASN 61 N 1.27 -0.19 -3.79 0.23 5.15 0.37 -4.44 115.26 113.86 1bqs n ASN 61 Ca -0.17 -1.09 -0.39 0.00 -0.60 0.00 0.00 54.58 52.32 1bqs n ASN 61 Cb 0.52 -1.35 -0.01 0.00 -0.53 0.00 0.00 39.78 38.41 1bqs n ASN 61 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1bqs n ALA 62 N -4.15 -2.71 -2.51 5.20 0.00 0.14 -4.16 120.51 112.32 1bqs n ALA 62 Ca -0.24 0.25 -0.24 0.00 0.00 0.00 0.00 53.44 53.21 1bqs n ALA 62 Cb 0.57 -1.35 -0.11 0.00 0.00 0.00 0.00 19.45 18.56 1bqs n ALA 62 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1bqs s SER 63 N -0.87 3.14 0.57 0.00 0.15 -1.14 0.17 113.70 115.73 1bqs s SER 63 Ca 0.54 -1.30 0.38 0.00 0.70 0.00 0.00 55.95 56.27 1bqs s SER 63 Cb -0.69 -0.24 1.99 0.00 -1.71 0.00 0.00 66.02 65.37 1bqs s SER 63 CO 0.52 -0.42 2.16 -0.07 1.20 0.00 0.00 173.24 176.62 1bqs h LEU 64 N 2.04 0.00 -0.41 3.45 4.07 -1.94 -0.11 115.31 122.42 1bqs h LEU 64 Ca -0.42 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.54 1bqs h LEU 64 Cb 1.24 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.98 1bqs h LEU 64 CO 0.72 0.00 0.00 0.28 -1.08 0.00 0.00 178.44 178.36 1bqs h SER 65 N 0.00 0.00 -0.04 -0.43 0.02 -1.95 -3.08 113.55 108.07 1bqs h SER 65 Ca 0.00 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.79 1bqs h SER 65 Cb 0.10 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 1bqs h SER 65 CO 0.00 0.00 -0.52 0.00 -1.14 0.00 0.00 176.83 175.17 1bqs h ALA 66 N 2.36 0.68 -2.77 3.77 0.00 -1.20 -3.35 119.26 118.74 1bqs h ALA 66 Ca 0.00 -0.50 -0.57 0.00 0.00 0.00 0.00 54.91 53.84 1bqs h ALA 66 Cb 0.55 -0.09 0.15 0.00 0.00 0.00 0.00 17.79 18.40 1bqs h ALA 66 CO 0.00 0.68 0.25 0.00 0.00 0.00 0.00 179.25 180.18 1bqs n ALA 67 N -2.52 0.51 0.00 0.00 0.00 -1.17 -4.70 120.51 112.63 1bqs n ALA 67 Ca -0.03 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1bqs n ALA 67 Cb 0.59 -2.16 0.00 0.00 0.00 0.00 0.00 19.45 17.88 1bqs n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bqs n GLY 68 N 1.14 2.60 3.73 0.00 0.00 -0.56 -4.96 105.19 107.13 1bqs n GLY 68 Ca 0.12 -1.81 -0.40 0.00 0.00 0.00 0.00 46.02 43.93 1bqs n GLY 68 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bqs s THR 69 N -1.72 4.91 -0.02 2.61 2.01 -1.26 -1.09 115.64 121.07 1bqs s THR 69 Ca 0.00 1.59 0.05 0.00 0.31 0.00 0.00 61.69 63.64 1bqs s THR 69 Cb 0.00 -4.10 -0.03 0.00 0.01 0.00 0.00 72.50 68.38 1bqs s THR 69 CO 0.00 0.29 -0.18 -0.13 -0.69 0.00 0.00 174.62 173.91 1bqs s ARG 70 N 0.49 2.31 -0.06 4.92 1.81 0.10 -4.49 118.95 124.03 1bqs s ARG 70 Ca 0.40 -0.82 0.03 0.00 -1.72 0.00 0.00 55.73 53.62 1bqs s ARG 70 Cb -0.19 -2.25 0.01 0.00 -0.45 0.00 0.00 34.95 32.06 1bqs s ARG 70 CO 0.21 0.59 -0.14 0.08 -0.68 0.00 0.00 175.30 175.37 1bqs s VAL 71 N -0.75 1.21 -0.21 3.52 1.01 -0.18 -0.97 120.40 124.03 1bqs s VAL 71 Ca 0.12 -0.55 -0.05 0.00 0.00 0.00 0.00 61.98 61.50 1bqs s VAL 71 Cb -0.10 -1.08 -0.02 0.00 0.00 0.00 0.00 36.38 35.18 1bqs s VAL 71 CO 0.01 0.36 -0.01 0.00 0.00 0.00 0.00 175.10 175.47 1bqs s VAL 73 N 1.25 2.39 -0.12 0.00 0.11 -0.32 -1.44 120.40 122.25 1bqs s VAL 73 Ca 0.03 -0.88 0.02 0.00 -2.93 0.00 0.00 61.98 58.23 1bqs s VAL 73 Cb -0.15 -1.97 -0.00 0.00 -1.53 0.00 0.00 36.38 32.73 1bqs s VAL 73 CO 0.01 0.53 -0.20 -0.83 -3.33 0.00 0.00 175.10 171.28 1bqs s GLY 74 N 0.70 1.41 -0.13 6.54 0.00 0.02 -0.91 107.32 114.95 1bqs s GLY 74 Ca -0.09 -0.99 -0.03 0.00 0.00 0.00 0.00 44.72 43.61 1bqs s GLY 74 CO 0.01 -0.17 -0.02 -0.45 0.00 0.00 0.00 173.10 172.47 1bqs s SER 75 N 0.53 4.99 -0.24 1.64 0.15 -0.34 -0.88 113.70 119.56 1bqs s SER 75 Ca -0.12 -0.01 -0.10 0.00 0.70 0.00 0.00 55.95 56.42 1bqs s SER 75 Cb -0.17 -1.63 0.10 0.00 -1.71 0.00 0.00 66.02 62.61 1bqs s SER 75 CO 0.04 0.26 0.53 0.00 1.20 0.00 0.00 173.24 175.27 1bqs n GLY 77 N 5.08 -0.40 2.64 0.00 0.00 -1.26 -1.21 105.19 110.04 1bqs n GLY 77 Ca -0.14 0.15 -0.04 0.00 0.00 0.00 0.00 46.02 46.00 1bqs n GLY 77 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bqs n GLY 78 N -1.53 0.49 3.35 -0.02 0.00 -1.26 -4.96 105.19 101.25 1bqs n GLY 78 Ca -0.18 -0.08 -0.30 0.00 0.00 0.00 0.00 46.02 45.46 1bqs n GLY 78 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bqs s ARG 79 N -1.87 1.79 -0.02 1.61 1.81 -0.35 -5.13 118.95 116.79 1bqs s ARG 79 Ca 0.00 -1.12 0.02 0.00 -1.72 0.00 0.00 55.73 52.91 1bqs s ARG 79 Cb 0.00 -1.98 0.00 0.00 -0.45 0.00 0.00 34.95 32.52 1bqs s ARG 79 CO 0.00 0.51 -0.07 0.95 -0.68 0.00 0.00 175.30 176.01 1bqs s THR 80 N -0.82 0.59 0.34 0.02 -4.23 -1.26 0.01 115.64 110.29 1bqs s THR 80 Ca 0.12 -0.26 0.09 0.00 -1.18 0.00 0.00 61.69 60.46 1bqs s THR 80 Cb -0.10 -0.53 -0.07 0.00 1.34 0.00 0.00 72.50 73.14 1bqs s THR 80 CO 0.02 0.19 -0.08 -0.36 -0.54 0.00 0.00 174.62 173.85 1bqs s PHE 81 N 0.19 2.36 0.19 3.99 0.40 -0.06 -4.98 117.98 120.06 1bqs s PHE 81 Ca -0.02 -0.54 -0.12 0.00 -0.60 0.00 0.00 56.93 55.65 1bqs s PHE 81 Cb -0.07 -1.38 0.00 0.00 0.51 0.00 0.00 43.02 42.08 1bqs s PHE 81 CO -0.00 0.54 0.37 -1.14 0.70 0.00 0.00 175.22 175.69 1bqs s GLN 82 N -3.63 1.28 -0.22 0.44 -0.44 -1.26 -0.80 119.66 115.02 1bqs s GLN 82 Ca 0.32 -1.12 -0.08 0.00 -2.50 0.00 0.00 55.36 51.98 1bqs s GLN 82 Cb 0.03 0.43 0.10 0.00 -1.64 0.00 0.00 33.01 31.93 1bqs s GLN 82 CO 0.16 -0.50 0.48 -1.58 0.50 0.00 0.00 175.29 174.35 1bqs s HIS 83 N -3.96 -0.93 -0.16 1.67 2.46 -0.52 -5.00 115.29 108.85 1bqs s HIS 83 Ca 0.17 1.73 -0.05 0.00 0.47 0.00 0.00 55.06 57.37 1bqs s HIS 83 Cb 0.02 0.43 -0.03 0.00 -0.13 0.00 0.00 32.58 32.87 1bqs s HIS 83 CO 0.01 -0.52 0.01 0.99 -2.47 0.00 0.00 174.74 172.76 1bqs s THR 84 N 2.60 4.36 -0.01 0.89 2.01 -1.26 -1.66 115.64 122.58 1bqs s THR 84 Ca -0.03 -0.19 0.02 0.00 0.31 0.00 0.00 61.69 61.80 1bqs s THR 84 Cb -0.12 -2.93 -0.00 0.00 0.01 0.00 0.00 72.50 69.46 1bqs s THR 84 CO -0.14 0.49 -0.07 0.54 -0.69 0.00 0.00 174.62 174.74 1bqs s VAL 85 N 0.27 0.55 -0.27 3.82 0.11 -0.14 -4.83 120.40 119.92 1bqs s VAL 85 Ca 0.00 -0.29 -0.11 0.00 -2.93 0.00 0.00 61.98 58.65 1bqs s VAL 85 Cb -0.13 -0.47 -0.05 0.00 -1.53 0.00 0.00 36.38 34.20 1bqs s VAL 85 CO 0.02 0.16 0.18 -1.10 -3.33 0.00 0.00 175.10 171.03 1bqs s GLN 86 N -0.10 3.99 -0.14 1.54 -0.21 -0.36 0.03 119.66 124.40 1bqs s GLN 86 Ca 0.02 -0.29 -0.22 0.00 0.02 0.00 0.00 55.36 54.89 1bqs s GLN 86 Cb -0.03 -3.62 -0.03 0.00 1.00 0.00 0.00 33.01 30.33 1bqs s GLN 86 CO -0.00 -0.10 0.67 -0.51 -2.12 0.00 0.00 175.29 173.22 1bqs s LEU 87 N 1.53 4.22 -0.33 2.90 1.43 -0.25 -1.18 118.68 127.00 1bqs s LEU 87 Ca 0.07 0.99 -0.03 0.00 -1.03 0.00 0.00 54.13 54.14 1bqs s LEU 87 Cb -0.15 -2.98 0.07 0.00 0.03 0.00 0.00 46.19 43.15 1bqs s LEU 87 CO 0.09 -0.21 0.07 -0.22 0.23 0.00 0.00 176.35 176.30 1bqs s LEU 88 N 1.45 4.32 -0.11 1.79 0.20 0.49 -1.50 118.68 125.33 1bqs s LEU 88 Ca 0.33 -1.47 -0.17 0.00 0.69 0.00 0.00 54.13 53.51 1bqs s LEU 88 Cb -0.16 -1.76 -0.05 0.00 -0.43 0.00 0.00 46.19 43.79 1bqs s LEU 88 CO 0.13 -0.34 0.42 -0.69 -0.29 0.00 0.00 176.35 175.58 1bqs s VAL 89 N 1.23 5.18 0.10 1.68 1.01 -1.26 -0.66 120.40 127.70 1bqs s VAL 89 Ca -0.01 0.84 0.01 0.00 0.00 0.00 0.00 61.98 62.82 1bqs s VAL 89 Cb -0.20 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 1bqs s VAL 89 CO -0.02 0.39 -0.03 -0.72 0.00 0.00 0.00 175.10 174.72 1bqs s TYR 90 N 0.28 0.84 -0.16 5.22 -0.85 -0.84 -4.71 117.35 117.14 1bqs s TYR 90 Ca 0.23 -1.02 -0.02 0.00 -0.52 0.00 0.00 57.07 55.74 1bqs s TYR 90 Cb -0.15 -0.51 0.05 0.00 0.38 0.00 0.00 41.96 41.73 1bqs s TYR 90 CO 0.09 -0.27 0.02 0.00 -1.52 0.00 0.00 175.55 173.87 1bqs s ALA 91 N -3.77 0.97 0.29 9.51 0.00 0.14 -0.56 121.76 128.34 1bqs s ALA 91 Ca 0.14 -0.55 -0.28 0.00 0.00 0.00 0.00 51.96 51.27 1bqs s ALA 91 Cb 0.06 -1.05 -0.09 0.00 0.00 0.00 0.00 23.12 22.04 1bqs s ALA 91 CO -0.04 -0.93 0.96 0.12 0.00 0.00 0.00 175.76 175.86 1bqs s PHE 92 N 1.86 3.81 0.26 0.00 5.36 -1.26 -2.13 117.98 125.87 1bqs s PHE 92 Ca 0.01 1.84 -0.30 0.00 -0.96 0.00 0.00 56.93 57.51 1bqs s PHE 92 Cb -0.16 -2.98 -0.13 0.00 -0.34 0.00 0.00 43.02 39.41 1bqs s PHE 92 CO -0.07 0.24 1.33 -0.35 -1.46 0.00 0.00 175.22 174.91 1bqs n PRO 93 N 1.00 1.92 0.00 10.12 -0.04 -1.25 -4.84 135.00 141.91 1bqs n PRO 93 Ca 0.00 0.68 0.12 0.00 -0.04 0.00 0.00 63.50 64.26 1bqs n PRO 93 Cb 0.48 -2.28 0.27 0.00 -0.04 0.00 0.00 33.50 31.93 1bqs n PRO 93 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1bqs n ASN 94 N 1.80 1.09 -3.60 3.54 2.04 -1.08 -4.90 115.26 114.14 1bqs n ASN 94 Ca 0.10 -0.88 -0.16 0.00 -0.44 0.00 0.00 54.58 53.20 1bqs n ASN 94 Cb 0.32 0.26 -0.07 0.00 -2.53 0.00 0.00 39.78 37.76 1bqs n ASN 94 CO 0.00 0.00 0.00 -1.58 -0.44 0.00 0.00 177.26 175.24 1bqs s GLN 95 N -2.61 0.93 -0.04 -3.83 0.74 -1.26 -5.05 119.66 108.54 1bqs s GLN 95 Ca 0.20 0.07 0.04 0.00 0.05 0.00 0.00 55.36 55.72 1bqs s GLN 95 Cb 0.19 0.43 0.00 0.00 1.10 0.00 0.00 33.01 34.73 1bqs s GLN 95 CO 0.58 -0.29 -0.14 -1.17 -0.55 0.00 0.00 175.29 173.72 1bqs s LEU 96 N -1.31 1.84 -0.14 3.68 2.96 -1.26 -1.81 118.68 122.64 1bqs s LEU 96 Ca -0.11 -0.31 0.02 0.00 -0.22 0.00 0.00 54.13 53.51 1bqs s LEU 96 Cb -0.02 -0.85 0.00 0.00 0.50 0.00 0.00 46.19 45.83 1bqs s LEU 96 CO 0.07 0.11 -0.20 -0.89 -1.32 0.00 0.00 176.35 174.13 1bqs s THR 97 N 0.18 2.28 -0.18 3.68 2.01 0.67 -4.95 115.64 119.33 1bqs s THR 97 Ca -0.05 -0.91 -0.03 0.00 0.31 0.00 0.00 61.69 61.01 1bqs s THR 97 Cb -0.11 -1.93 -0.02 0.00 0.01 0.00 0.00 72.50 70.45 1bqs s THR 97 CO 0.02 0.54 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.74 1bqs s VAL 98 N 0.77 3.49 -0.18 3.82 1.01 -1.26 -0.43 120.40 127.62 1bqs s VAL 98 Ca -0.07 -0.48 0.01 0.00 0.00 0.00 0.00 61.98 61.44 1bqs s VAL 98 Cb -0.16 -2.54 0.03 0.00 0.00 0.00 0.00 36.38 33.71 1bqs s VAL 98 CO -0.00 0.46 -0.15 -0.44 0.00 0.00 0.00 175.10 174.97 1bqs s SER 99 N 0.88 3.15 0.67 3.32 0.01 -0.41 -2.65 113.70 118.67 1bqs s SER 99 Ca -0.01 -0.71 -0.13 0.00 1.31 0.00 0.00 55.95 56.41 1bqs s SER 99 Cb -0.15 -1.34 0.00 0.00 0.21 0.00 0.00 66.02 64.74 1bqs s SER 99 CO 0.01 -0.06 1.08 -2.84 0.41 0.00 0.00 173.24 171.83 1bqs s PRO 100 N 1.36 2.91 0.56 12.44 0.02 -1.26 0.06 135.00 151.09 1bqs s PRO 100 Ca 0.03 1.17 0.33 0.00 0.02 0.00 0.00 61.00 62.55 1bqs s PRO 100 Cb -0.14 -1.98 1.65 0.00 0.02 0.00 0.00 34.50 34.05 1bqs s PRO 100 CO -0.11 -1.13 2.11 0.00 -0.33 0.00 0.00 177.00 177.54 1bqs h ALA 101 N -0.25 1.12 -2.57 -1.55 0.00 -1.92 -3.43 119.26 110.67 1bqs h ALA 101 Ca -0.45 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.29 1bqs h ALA 101 Cb 1.22 -0.01 -0.17 0.00 0.00 0.00 0.00 17.79 18.83 1bqs h ALA 101 CO 0.55 0.08 -0.36 0.00 0.00 0.00 0.00 179.25 179.52 1bqs s ALA 102 N -4.01 -0.44 -0.35 0.00 0.00 -1.26 -4.28 121.76 111.42 1bqs s ALA 102 Ca -0.02 -0.20 -0.02 0.00 0.00 0.00 0.00 51.96 51.72 1bqs s ALA 102 Cb 0.12 0.28 0.07 0.00 0.00 0.00 0.00 23.12 23.59 1bqs s ALA 102 CO 0.53 -0.36 0.09 -0.51 0.00 0.00 0.00 175.76 175.50 1bqs s LEU 103 N -2.04 4.48 0.15 0.00 1.43 0.17 -4.98 118.68 117.88 1bqs s LEU 103 Ca -0.06 -1.60 -0.30 0.00 -1.03 0.00 0.00 54.13 51.15 1bqs s LEU 103 Cb -0.01 -1.76 -0.07 0.00 0.03 0.00 0.00 46.19 44.37 1bqs s LEU 103 CO -0.03 -0.38 1.16 0.54 0.23 0.00 0.00 176.35 177.87 1bqs s VAL 104 N 1.20 3.81 -0.86 -1.59 0.11 -1.26 -0.02 120.40 121.78 1bqs s VAL 104 Ca 0.01 1.46 0.00 0.00 -2.93 0.00 0.00 61.98 60.52 1bqs s VAL 104 Cb -0.21 -3.93 0.00 0.00 -1.53 0.00 0.00 36.38 30.71 1bqs s VAL 104 CO -0.02 0.21 0.01 -2.65 -3.33 0.00 0.00 175.10 169.32 1bqs n PRO 105 N 2.87 0.00 0.00 1.54 -0.02 -1.25 -3.96 135.00 134.18 1bqs n PRO 105 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 1bqs n PRO 105 Cb 0.46 -1.03 0.00 0.00 -0.02 0.00 0.00 33.50 32.90 1bqs n PRO 105 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1bqs n GLY 106 N -0.25 0.00 0.00 -1.23 0.00 -1.26 -4.98 105.19 97.47 1bqs n GLY 106 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1bqs n GLY 106 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1bqs n ASP 107 N 0.00 0.00 0.00 1.61 5.75 -1.25 -5.09 116.55 117.56 1bqs n ASP 107 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1bqs n ASP 107 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1bqs n ASP 107 CO 0.00 0.00 0.00 -2.65 -0.11 0.00 0.00 177.20 174.44 1bqs n PRO 108 N 0.00 0.00 -1.14 0.11 -0.02 -1.26 -4.20 135.00 128.49 1bqs n PRO 108 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1bqs n PRO 108 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 1bqs n PRO 108 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1bqs n GLU 109 N 0.00 0.00 -3.63 -0.52 0.28 -1.26 -1.25 120.64 114.26 1bqs n GLU 109 Ca 0.00 0.00 -0.15 0.00 -0.16 0.00 0.00 57.16 56.85 1bqs n GLU 109 Cb 0.00 0.00 -0.07 0.00 1.43 0.00 0.00 31.44 32.80 1bqs n GLU 109 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1bqs s VAL 110 N -1.95 0.01 0.15 3.84 0.11 -0.73 -4.62 120.40 117.21 1bqs s VAL 110 Ca 0.00 -0.12 0.09 0.00 -2.93 0.00 0.00 61.98 59.03 1bqs s VAL 110 Cb 0.00 -0.84 -0.04 0.00 -1.53 0.00 0.00 36.38 33.97 1bqs s VAL 110 CO 0.00 -0.07 -0.22 0.00 -3.33 0.00 0.00 175.10 171.49 1bqs s ALA 111 N -0.72 2.12 -0.04 1.54 0.00 0.11 -0.91 121.76 123.86 1bqs s ALA 111 Ca -0.08 -1.45 -0.02 0.00 0.00 0.00 0.00 51.96 50.41 1bqs s ALA 111 Cb -0.03 -0.26 0.03 0.00 0.00 0.00 0.00 23.12 22.86 1bqs s ALA 111 CO 0.05 0.36 0.06 0.00 0.00 0.00 0.00 175.76 176.23 1bqs s THR 113 N 2.17 2.11 -0.17 0.00 -1.32 0.42 -0.44 115.64 118.41 1bqs s THR 113 Ca 0.05 -1.05 -0.10 0.00 -1.21 0.00 0.00 61.69 59.39 1bqs s THR 113 Cb -0.12 -1.77 -0.05 0.00 -1.51 0.00 0.00 72.50 69.06 1bqs s THR 113 CO -0.03 0.57 0.16 0.00 -2.21 0.00 0.00 174.62 173.11 1bqs s ALA 114 N -0.13 3.73 0.04 11.08 0.00 0.71 -0.24 121.76 136.95 1bqs s ALA 114 Ca -0.04 -0.63 -0.04 0.00 0.00 0.00 0.00 51.96 51.24 1bqs s ALA 114 Cb -0.14 -2.15 -0.05 0.00 0.00 0.00 0.00 23.12 20.79 1bqs s ALA 114 CO 0.04 0.29 0.26 -1.01 0.00 0.00 0.00 175.76 175.34 1bqs s HIS 115 N -0.06 3.54 -0.56 0.00 3.76 -0.75 -1.98 115.29 119.23 1bqs s HIS 115 Ca 0.12 0.47 -0.23 0.00 -0.15 0.00 0.00 55.06 55.27 1bqs s HIS 115 Cb -0.12 -1.92 0.03 0.00 1.11 0.00 0.00 32.58 31.69 1bqs s HIS 115 CO 0.01 0.58 0.64 1.63 -0.85 0.00 0.00 174.74 176.75 1bqs n LYS 116 N 0.74 -1.87 -4.39 1.40 4.01 -0.67 -2.63 118.16 114.75 1bqs n LYS 116 Ca -0.08 1.39 -0.22 0.00 -0.51 0.00 0.00 58.31 58.89 1bqs n LYS 116 Cb 0.52 -3.05 -0.11 0.00 -0.51 0.00 0.00 35.03 31.89 1bqs n LYS 116 CO 0.00 0.00 0.00 0.14 -1.11 0.00 0.00 177.40 176.43 1bqs s VAL 117 N -2.17 2.06 0.00 -0.18 -7.23 0.86 -3.90 120.40 109.84 1bqs s VAL 117 Ca 0.24 -2.14 0.00 0.00 -1.81 0.00 0.00 61.98 58.27 1bqs s VAL 117 Cb -0.03 -2.06 0.00 0.00 0.56 0.00 0.00 36.38 34.85 1bqs s VAL 117 CO 0.85 -0.38 0.00 0.41 -0.31 0.00 0.00 175.10 175.68 1bqs n THR 118 N -0.12 0.00 -1.77 5.32 -1.04 -0.91 -3.00 114.28 112.76 1bqs n THR 118 Ca -0.10 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 61.62 1bqs n THR 118 Cb 0.58 0.00 0.07 0.00 -1.82 0.00 0.00 70.33 69.17 1bqs n THR 118 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1bqs s PRO 119 N 0.00 2.37 0.00 -2.82 0.05 -1.26 0.28 135.00 133.61 1bqs s PRO 119 Ca 0.00 0.44 0.08 0.00 0.05 0.00 0.00 61.00 61.57 1bqs s PRO 119 Cb 0.00 -1.97 0.08 0.00 0.05 0.00 0.00 34.50 32.66 1bqs s PRO 119 CO 0.00 -1.37 0.80 1.33 0.05 0.00 0.00 177.00 177.80 1bqs n VAL 120 N -3.23 0.09 -2.62 -0.36 0.24 -1.26 -4.72 118.33 106.47 1bqs n VAL 120 Ca 0.07 -0.55 -0.32 0.00 -2.04 0.00 0.00 64.34 61.51 1bqs n VAL 120 Cb 0.58 1.11 -0.04 0.00 -1.47 0.00 0.00 33.84 34.02 1bqs n VAL 120 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 1bqs s ASP 121 N -0.71 6.64 1.38 -1.34 -4.77 -1.26 -4.84 116.67 111.77 1bqs s ASP 121 Ca 0.10 1.44 -0.21 0.00 -3.30 0.00 0.00 52.55 50.58 1bqs s ASP 121 Cb 0.07 -2.45 0.36 0.00 -1.09 0.00 0.00 42.92 39.81 1bqs s ASP 121 CO 0.10 -0.48 0.94 -2.84 0.70 0.00 0.00 175.17 173.59 1bqs s PRO 122 N -3.84 -2.65 0.00 2.11 0.02 -1.26 -2.42 135.00 126.97 1bqs s PRO 122 Ca 0.57 0.28 0.00 0.00 0.02 0.00 0.00 61.00 61.86 1bqs s PRO 122 Cb -0.10 -1.40 0.00 0.00 0.02 0.00 0.00 34.50 33.02 1bqs s PRO 122 CO 0.28 -4.72 0.00 0.09 -0.33 0.00 0.00 177.00 172.32 1bqs n ASN 123 N -5.54 0.00 0.00 2.53 5.03 -1.26 -4.44 115.26 111.58 1bqs n ASN 123 Ca 0.11 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.56 1bqs n ASN 123 Cb 0.59 -0.04 0.00 0.00 -1.02 0.00 0.00 39.78 39.30 1bqs n ASN 123 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1bqs n ALA 124 N 0.07 0.34 -3.43 5.41 0.00 -1.07 -4.70 120.51 117.13 1bqs n ALA 124 Ca 0.00 -0.02 -0.10 0.00 0.00 0.00 0.00 53.44 53.32 1bqs n ALA 124 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 1bqs n ALA 124 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1bqs s LEU 125 N -0.25 -0.58 0.17 0.00 1.98 -1.02 -2.63 118.68 116.35 1bqs s LEU 125 Ca 0.00 0.35 0.06 0.00 -2.89 0.00 0.00 54.13 51.64 1bqs s LEU 125 Cb 0.00 1.08 -0.04 0.00 0.66 0.00 0.00 46.19 47.89 1bqs s LEU 125 CO 0.00 -0.29 -0.12 -0.44 -1.89 0.00 0.00 176.35 173.62 1bqs s SER 126 N 2.53 2.08 0.19 3.68 0.01 0.51 -4.38 113.70 118.33 1bqs s SER 126 Ca 0.09 -1.01 0.11 0.00 1.31 0.00 0.00 55.95 56.46 1bqs s SER 126 Cb -0.15 -0.06 -0.04 0.00 0.21 0.00 0.00 66.02 65.98 1bqs s SER 126 CO -0.15 -0.26 -0.24 -0.36 0.41 0.00 0.00 173.24 172.64 1bqs s PHE 127 N -3.14 2.30 -0.06 2.43 0.40 -1.26 -0.56 117.98 118.09 1bqs s PHE 127 Ca 0.18 -0.36 -0.06 0.00 -0.60 0.00 0.00 56.93 56.09 1bqs s PHE 127 Cb 0.01 -1.14 0.02 0.00 0.51 0.00 0.00 43.02 42.41 1bqs s PHE 127 CO 0.03 0.49 0.17 -1.12 0.70 0.00 0.00 175.22 175.49 1bqs s SER 128 N -2.65 -0.16 -0.29 1.36 0.01 -0.03 -4.96 113.70 106.98 1bqs s SER 128 Ca 0.20 0.30 -0.07 0.00 1.31 0.00 0.00 55.95 57.69 1bqs s SER 128 Cb -0.08 0.33 0.00 0.00 0.21 0.00 0.00 66.02 66.48 1bqs s SER 128 CO 0.10 -0.08 0.08 -0.22 0.41 0.00 0.00 173.24 173.53 1bqs s LEU 129 N -0.01 3.79 0.10 2.44 0.20 -1.26 -1.31 118.68 122.63 1bqs s LEU 129 Ca -0.01 -0.60 0.06 0.00 0.69 0.00 0.00 54.13 54.26 1bqs s LEU 129 Cb -0.02 -1.90 -0.04 0.00 -0.43 0.00 0.00 46.19 43.81 1bqs s LEU 129 CO 0.00 -0.16 -0.02 -0.76 -0.29 0.00 0.00 176.35 175.11 1bqs s LEU 130 N 1.53 3.35 -0.19 -0.68 1.43 0.97 -0.84 118.68 124.25 1bqs s LEU 130 Ca 0.03 -0.25 -0.00 0.00 -1.03 0.00 0.00 54.13 52.88 1bqs s LEU 130 Cb -0.17 -2.08 0.05 0.00 0.03 0.00 0.00 46.19 44.01 1bqs s LEU 130 CO 0.03 0.17 -0.06 0.54 0.23 0.00 0.00 176.35 177.25 1bqs s VAL 131 N -1.33 1.27 0.00 -1.59 0.11 0.14 -0.38 120.40 118.62 1bqs s VAL 131 Ca 0.25 -0.81 0.00 0.00 -2.93 0.00 0.00 61.98 58.49 1bqs s VAL 131 Cb -0.11 -1.45 0.00 0.00 -1.53 0.00 0.00 36.38 33.28 1bqs s VAL 131 CO 0.17 0.08 0.00 0.61 -3.33 0.00 0.00 175.10 172.64 1bqs n GLY 132 N 4.81 2.05 1.25 6.54 0.00 -1.26 -2.30 105.19 116.27 1bqs n GLY 132 Ca -0.12 -0.39 0.06 0.00 0.00 0.00 0.00 46.02 45.57 1bqs n GLY 132 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bqs n GLY 133 N 0.00 3.80 3.15 -0.02 0.00 -1.26 -4.93 105.19 105.93 1bqs n GLY 133 Ca 0.00 -1.02 -0.14 0.00 0.00 0.00 0.00 46.02 44.86 1bqs n GLY 133 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1bqs s GLN 134 N -2.86 0.79 0.19 1.61 -1.52 -0.97 -5.10 119.66 111.79 1bqs s GLN 134 Ca 0.47 -1.11 -0.31 0.00 -1.95 0.00 0.00 55.36 52.46 1bqs s GLN 134 Cb 0.37 -0.44 -0.09 0.00 -0.22 0.00 0.00 33.01 32.63 1bqs s GLN 134 CO 0.11 0.06 1.46 -1.21 -0.25 0.00 0.00 175.29 175.46 1bqs s GLU 135 N -2.72 4.27 -0.08 2.91 2.02 -1.26 0.25 118.70 124.09 1bqs s GLU 135 Ca 0.04 2.25 -0.29 0.00 0.02 0.00 0.00 54.97 56.98 1bqs s GLU 135 Cb -0.03 -3.16 -0.06 0.00 0.10 0.00 0.00 34.13 30.98 1bqs s GLU 135 CO -0.01 -0.47 1.83 -1.17 0.02 0.00 0.00 175.26 175.46 1bqs s LEU 136 N 0.44 4.15 0.09 1.80 2.96 -0.02 -4.80 118.68 123.29 1bqs s LEU 136 Ca 0.64 2.20 -0.31 0.00 -0.22 0.00 0.00 54.13 56.44 1bqs s LEU 136 Cb -0.41 -3.53 -0.07 0.00 0.50 0.00 0.00 46.19 42.69 1bqs s LEU 136 CO 0.36 -1.18 1.25 -1.61 -1.32 0.00 0.00 176.35 173.85 1bqs s GLU 137 N 4.63 4.41 0.00 1.98 2.02 -1.26 -3.17 118.70 127.31 1bqs s GLU 137 Ca 0.82 1.87 0.00 0.00 0.02 0.00 0.00 54.97 57.68 1bqs s GLU 137 Cb -0.35 -3.30 0.00 0.00 0.10 0.00 0.00 34.13 30.58 1bqs s GLU 137 CO 0.34 -0.29 0.00 0.41 0.02 0.00 0.00 175.26 175.75 1bqs n GLY 138 N 3.16 0.63 3.76 -1.39 0.00 -1.26 -4.82 105.19 105.28 1bqs n GLY 138 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 1bqs n GLY 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bqs s ALA 139 N -2.16 3.48 0.00 4.61 0.00 -1.19 -3.94 121.76 122.56 1bqs s ALA 139 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 51.96 52.01 1bqs s ALA 139 Cb 0.00 -2.76 0.00 0.00 0.00 0.00 0.00 23.12 20.36 1bqs s ALA 139 CO 0.00 0.16 0.00 1.04 0.00 0.00 0.00 175.76 176.96 1bqs n GLN 140 N 2.72 0.79 -3.46 0.00 6.02 -1.16 -4.95 117.38 117.34 1bqs n GLN 140 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.92 1bqs n GLN 140 Cb 0.51 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.77 1bqs n GLN 140 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1bqs n ALA 141 N -3.00 0.00 0.00 -1.58 0.00 -1.25 -4.73 120.51 109.94 1bqs n ALA 141 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1bqs n ALA 141 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1bqs n ALA 141 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1bqs n LEU 142 N 0.00 0.00 -4.38 0.00 7.94 -1.23 -4.91 117.00 114.42 1bqs n LEU 142 Ca 0.00 0.00 -0.38 0.00 -1.11 0.00 0.00 56.01 54.52 1bqs n LEU 142 Cb 0.00 0.00 -0.12 0.00 0.53 0.00 0.00 43.42 43.83 1bqs n LEU 142 CO 0.00 0.00 -0.22 -0.83 -1.11 0.00 0.00 177.39 175.23 1bqs s GLY 143 N 0.00 1.85 -0.11 -3.96 0.00 -1.26 -3.18 107.32 100.66 1bqs s GLY 143 Ca 0.00 -1.50 -0.16 0.00 0.00 0.00 0.00 44.72 43.07 1bqs s GLY 143 CO 0.00 0.71 0.39 2.56 0.00 0.00 0.00 173.10 176.76 1bqs s PRO 144 N 1.55 4.20 0.06 2.90 0.04 -0.66 -4.91 135.00 138.18 1bqs s PRO 144 Ca 0.03 0.31 -0.08 0.00 0.04 0.00 0.00 61.00 61.30 1bqs s PRO 144 Cb -0.18 -3.38 -0.05 0.00 0.04 0.00 0.00 34.50 30.93 1bqs s PRO 144 CO 0.05 0.32 0.35 -1.21 0.04 0.00 0.00 177.00 176.54 1bqs s GLU 145 N 0.16 3.67 0.01 4.56 2.02 -1.26 -0.89 118.70 126.97 1bqs s GLU 145 Ca 0.22 0.04 -0.05 0.00 0.02 0.00 0.00 54.97 55.20 1bqs s GLU 145 Cb -0.15 -3.00 -0.01 0.00 0.10 0.00 0.00 34.13 31.07 1bqs s GLU 145 CO 0.09 0.58 0.08 0.08 0.02 0.00 0.00 175.26 176.11 1bqs s VAL 146 N -1.41 0.10 -0.04 2.63 1.01 -0.60 -4.98 120.40 117.11 1bqs s VAL 146 Ca 0.32 -0.83 -0.03 0.00 0.00 0.00 0.00 61.98 61.44 1bqs s VAL 146 Cb -0.13 -0.48 -0.04 0.00 0.00 0.00 0.00 36.38 35.72 1bqs s VAL 146 CO 0.19 -0.46 0.11 -1.10 0.00 0.00 0.00 175.10 173.84 1bqs s GLN 147 N -1.66 3.23 -0.06 2.72 -0.21 -1.26 -0.43 119.66 121.99 1bqs s GLN 147 Ca -0.13 -0.36 0.04 0.00 0.02 0.00 0.00 55.36 54.93 1bqs s GLN 147 Cb -0.07 -2.98 -0.02 0.00 1.00 0.00 0.00 33.01 30.93 1bqs s GLN 147 CO -0.00 0.69 -0.16 -1.21 -2.12 0.00 0.00 175.29 172.49 1bqs s GLU 148 N -1.54 2.58 -0.26 2.91 2.02 -0.71 -4.85 118.70 118.85 1bqs s GLU 148 Ca 0.21 -0.73 -0.03 0.00 0.02 0.00 0.00 54.97 54.44 1bqs s GLU 148 Cb -0.12 -2.36 0.02 0.00 0.10 0.00 0.00 34.13 31.76 1bqs s GLU 148 CO 0.12 0.55 -0.01 -2.00 0.02 0.00 0.00 175.26 173.93 1bqs s GLU 149 N -0.54 2.98 0.16 1.61 2.12 -1.26 -3.94 118.70 119.84 1bqs s GLU 149 Ca 0.07 -0.90 -0.10 0.00 0.36 0.00 0.00 54.97 54.40 1bqs s GLU 149 Cb -0.11 -3.11 -0.00 0.00 0.26 0.00 0.00 34.13 31.17 1bqs s GLU 149 CO 0.01 -0.39 0.31 -2.00 -0.54 0.00 0.00 175.26 172.65 1bqs s GLU 150 N 1.40 1.15 0.00 4.30 2.12 -1.25 -5.09 118.70 121.33 1bqs s GLU 150 Ca 0.02 -1.10 0.00 0.00 0.36 0.00 0.00 54.97 54.25 1bqs s GLU 150 Cb -0.17 0.40 0.00 0.00 0.26 0.00 0.00 34.13 34.62 1bqs s GLU 150 CO -0.02 -0.43 0.00 0.39 -0.54 0.00 0.00 175.26 174.66 1bqs n GLU 151 N -0.22 0.00 -3.82 4.30 1.02 -1.26 -4.08 120.64 116.58 1bqs n GLU 151 Ca -0.09 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.71 1bqs n GLU 151 Cb 0.63 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 32.00 1bqs n GLU 151 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1bqs s GLU 152 N 0.00 3.52 0.32 3.49 2.02 -1.26 -5.06 118.70 121.73 1bqs s GLU 152 Ca 0.00 -0.17 -0.22 0.00 0.02 0.00 0.00 54.97 54.61 1bqs s GLU 152 Cb 0.00 -3.09 -0.15 0.00 0.10 0.00 0.00 34.13 30.99 1bqs s GLU 152 CO 0.00 0.67 0.20 -2.30 0.02 0.00 0.00 175.26 173.85 1bqs n PRO 153 N 1.12 0.00 -3.09 0.39 -0.02 -1.26 -4.53 135.00 127.61 1bqs n PRO 153 Ca -0.12 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.23 1bqs n PRO 153 Cb 0.53 -0.94 0.06 0.00 -0.02 0.00 0.00 33.50 33.13 1bqs n PRO 153 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1bqs n GLN 154 N 1.16 -4.85 0.00 -0.52 6.02 -1.26 -4.91 117.38 113.02 1bqs n GLN 154 Ca 0.12 0.55 0.00 0.00 -0.01 0.00 0.00 57.00 57.67 1bqs n GLN 154 Cb 0.33 -4.72 0.00 0.00 1.02 0.00 0.00 30.24 26.87 1bqs n GLN 154 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1bqs n GLY 155 N -1.31 -2.18 1.30 1.08 0.00 -1.26 -5.20 105.19 97.62 1bqs n GLY 155 Ca -0.08 0.73 -0.11 0.00 0.00 0.00 0.00 46.02 46.56 1bqs n GLY 155 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1bqs n ASP 156 N -0.50 1.77 -3.78 1.61 8.00 -1.26 -5.17 116.55 117.22 1bqs n ASP 156 Ca 0.00 -1.82 -0.13 0.00 0.71 0.00 0.00 54.79 53.56 1bqs n ASP 156 Cb 0.00 0.26 -0.11 0.00 -0.02 0.00 0.00 41.12 41.25 1bqs n ASP 156 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 1bqs s GLU 157 N -2.63 0.39 0.00 -1.24 -1.05 -1.26 -4.62 118.70 108.30 1bqs s GLU 157 Ca 0.04 0.25 0.00 0.00 -0.15 0.00 0.00 54.97 55.11 1bqs s GLU 157 Cb 0.00 0.18 0.00 0.00 -0.44 0.00 0.00 34.13 33.88 1bqs s GLU 157 CO 0.03 -0.07 0.00 -0.25 0.95 0.00 0.00 175.26 175.92 1bqs n ASP 158 N 2.58 0.00 -3.84 0.83 9.92 -1.26 -5.10 116.55 119.68 1bqs n ASP 158 Ca -0.15 0.00 -0.13 0.00 -0.53 0.00 0.00 54.79 53.98 1bqs n ASP 158 Cb 0.58 0.00 -0.15 0.00 -0.64 0.00 0.00 41.12 40.91 1bqs n ASP 158 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1bqs s VAL 159 N -1.19 -0.01 0.00 2.53 1.01 -1.26 -3.95 120.40 117.52 1bqs s VAL 159 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.05 1bqs s VAL 159 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 36.38 36.34 1bqs s VAL 159 CO 0.00 0.03 0.00 0.18 0.00 0.00 0.00 175.10 175.31 1bqs n LEU 160 N 3.45 0.00 -4.28 3.92 4.77 -1.25 -5.00 117.00 118.61 1bqs n LEU 160 Ca -0.17 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.62 1bqs n LEU 160 Cb 0.57 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.55 1bqs n LEU 160 CO 0.25 0.00 -0.46 -0.36 -1.33 0.00 0.00 177.39 175.49 1bqs s PHE 161 N 0.11 1.54 -0.26 -1.77 0.08 -1.16 -1.73 117.98 114.78 1bqs s PHE 161 Ca 0.00 -0.54 0.02 0.00 0.12 0.00 0.00 56.93 56.53 1bqs s PHE 161 Cb 0.00 -0.79 0.07 0.00 -0.57 0.00 0.00 43.02 41.73 1bqs s PHE 161 CO 0.00 0.21 -0.06 0.50 -0.10 0.00 0.00 175.22 175.77 1bqs s ARG 162 N -2.81 1.86 -0.16 0.44 3.52 0.42 -0.10 118.95 122.12 1bqs s ARG 162 Ca 0.12 -1.27 -0.06 0.00 -0.13 0.00 0.00 55.73 54.39 1bqs s ARG 162 Cb -0.05 -2.78 -0.04 0.00 -1.56 0.00 0.00 34.95 30.52 1bqs s ARG 162 CO 0.04 -0.64 0.05 0.08 -0.81 0.00 0.00 175.30 174.02 1bqs s VAL 163 N 1.21 4.69 0.11 7.11 1.01 -0.84 -1.56 120.40 132.12 1bqs s VAL 163 Ca -0.05 -0.08 0.09 0.00 0.00 0.00 0.00 61.98 61.94 1bqs s VAL 163 Cb -0.19 -3.09 -0.04 0.00 0.00 0.00 0.00 36.38 33.06 1bqs s VAL 163 CO -0.06 0.49 -0.18 -0.89 0.00 0.00 0.00 175.10 174.45 1bqs s THR 164 N 0.14 2.81 -0.06 3.92 2.01 -0.07 -0.21 115.64 124.18 1bqs s THR 164 Ca 0.04 -1.47 0.01 0.00 0.31 0.00 0.00 61.69 60.59 1bqs s THR 164 Cb -0.12 -2.27 0.02 0.00 0.01 0.00 0.00 72.50 70.13 1bqs s THR 164 CO 0.01 0.14 -0.07 -0.70 -0.69 0.00 0.00 174.62 173.31 1bqs s GLU 165 N -2.03 1.13 0.21 4.92 2.56 0.42 -1.66 118.70 124.25 1bqs s GLU 165 Ca 0.17 -0.20 0.07 0.00 0.00 0.00 0.00 54.97 55.02 1bqs s GLU 165 Cb -0.11 -1.07 -0.04 0.00 2.00 0.00 0.00 34.13 34.91 1bqs s GLU 165 CO 0.09 -0.07 0.05 1.03 -0.56 0.00 0.00 175.26 175.80 1bqs s ARG 166 N 0.96 2.53 -0.05 4.30 0.52 -1.19 -0.84 118.95 125.18 1bqs s ARG 166 Ca -0.10 -1.14 -0.02 0.00 -0.52 0.00 0.00 55.73 53.95 1bqs s ARG 166 Cb -0.15 -2.38 0.04 0.00 0.52 0.00 0.00 34.95 32.98 1bqs s ARG 166 CO 0.00 0.43 0.09 -1.58 0.02 0.00 0.00 175.30 174.26 1bqs s TRP 167 N -1.94 -0.05 -0.14 -0.53 0.51 -0.09 -3.58 118.94 113.13 1bqs s TRP 167 Ca 0.30 0.36 -0.27 0.00 -2.12 0.00 0.00 56.10 54.37 1bqs s TRP 167 Cb -0.08 -0.30 -0.01 0.00 -0.81 0.00 0.00 33.47 32.26 1bqs s TRP 167 CO 0.21 -0.18 0.90 1.03 -0.51 0.00 0.00 176.95 178.40 1bqs s ARG 168 N 1.78 4.36 0.13 4.98 0.52 -1.26 -1.78 118.95 127.68 1bqs s ARG 168 Ca -0.01 1.18 -0.26 0.00 -0.52 0.00 0.00 55.73 56.11 1bqs s ARG 168 Cb -0.12 -3.55 -0.07 0.00 0.52 0.00 0.00 34.95 31.73 1bqs s ARG 168 CO -0.04 -0.30 0.82 -0.51 0.02 0.00 0.00 175.30 175.28 1bqs s LEU 169 N 2.02 4.54 1.02 2.53 1.43 -0.38 -2.98 118.68 126.85 1bqs s LEU 169 Ca 0.43 1.63 -0.15 0.00 -1.03 0.00 0.00 54.13 55.01 1bqs s LEU 169 Cb -0.17 -3.35 0.20 0.00 0.03 0.00 0.00 46.19 42.90 1bqs s LEU 169 CO 0.15 0.10 1.18 -2.16 0.23 0.00 0.00 176.35 175.85 1bqs s PRO 170 N -0.63 0.26 0.49 1.29 0.04 -1.25 -4.87 135.00 130.32 1bqs s PRO 170 Ca 0.39 -0.00 0.36 0.00 0.04 0.00 0.00 61.00 61.78 1bqs s PRO 170 Cb -0.23 -1.76 1.51 0.00 0.04 0.00 0.00 34.50 34.06 1bqs s PRO 170 CO 0.26 -2.73 1.65 -1.35 0.04 0.00 0.00 177.00 174.87 1bqs h PRO 171 N -1.88 0.07 0.00 0.56 0.11 -1.93 -3.46 132.00 125.47 1bqs h PRO 171 Ca -0.47 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1bqs h PRO 171 Cb 1.29 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1bqs h PRO 171 CO 0.47 0.05 0.00 -0.11 -0.21 0.00 0.00 178.00 178.20 1bqs n LEU 172 N -4.40 0.00 0.00 2.35 7.94 -1.26 -5.01 117.00 116.63 1bqs n LEU 172 Ca 0.36 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.26 1bqs n LEU 172 Cb 1.52 0.00 0.00 0.00 0.53 0.00 0.00 43.42 45.47 1bqs n LEU 172 CO 0.31 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 177.20 1bqs n GLY 173 N 0.00 2.48 3.36 -3.96 0.00 -1.26 -5.05 105.19 100.76 1bqs n GLY 173 Ca 0.00 -1.29 -0.34 0.00 0.00 0.00 0.00 46.02 44.38 1bqs n GLY 173 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bqs s THR 174 N -2.00 3.43 -0.02 2.61 2.01 -1.26 -0.86 115.64 119.55 1bqs s THR 174 Ca 0.00 -0.49 -0.25 0.00 0.31 0.00 0.00 61.69 61.26 1bqs s THR 174 Cb 0.00 -2.53 -0.04 0.00 0.01 0.00 0.00 72.50 69.94 1bqs s THR 174 CO 0.00 0.45 0.77 -2.16 -0.69 0.00 0.00 174.62 172.99 1bqs s PRO 175 N 1.04 4.48 0.04 4.92 0.04 -1.26 -5.08 135.00 139.18 1bqs s PRO 175 Ca 0.01 1.03 -0.37 0.00 0.04 0.00 0.00 61.00 61.71 1bqs s PRO 175 Cb -0.15 -3.42 -0.19 0.00 0.04 0.00 0.00 34.50 30.78 1bqs s PRO 175 CO -0.00 0.11 0.95 1.55 0.04 0.00 0.00 177.00 179.65 1bqs n VAL 176 N 3.50 0.39 -2.38 -0.36 3.14 -0.04 -4.88 118.33 117.70 1bqs n VAL 176 Ca -0.00 -0.10 -0.38 0.00 -2.96 0.00 0.00 64.34 60.90 1bqs n VAL 176 Cb 0.51 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 33.26 1bqs n VAL 176 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 1bqs s PRO 177 N -0.20 4.14 0.47 1.45 0.04 -1.26 -4.95 135.00 134.70 1bqs s PRO 177 Ca 0.85 1.74 0.16 0.00 0.04 0.00 0.00 61.00 63.79 1bqs s PRO 177 Cb -1.19 -2.69 1.15 0.00 0.04 0.00 0.00 34.50 31.81 1bqs s PRO 177 CO 0.56 -0.22 2.03 -1.00 0.04 0.00 0.00 177.00 178.41 1bqs h PRO 178 N 2.71 0.23 -2.30 0.56 0.13 -1.90 -3.40 132.00 128.04 1bqs h PRO 178 Ca -0.48 -0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1bqs h PRO 178 Cb 1.23 -0.05 -0.17 0.00 0.13 0.00 0.00 31.00 32.14 1bqs h PRO 178 CO 0.63 0.15 0.29 0.00 -0.23 0.00 0.00 178.00 178.85 1bqs s ALA 179 N -5.24 -1.75 0.39 -0.56 0.00 -1.26 -0.81 121.76 112.53 1bqs s ALA 179 Ca -0.07 1.05 0.08 0.00 0.00 0.00 0.00 51.96 53.02 1bqs s ALA 179 Cb 0.19 0.24 -0.04 0.00 0.00 0.00 0.00 23.12 23.51 1bqs s ALA 179 CO 0.73 -0.54 0.24 -0.51 0.00 0.00 0.00 175.76 175.68 1bqs s LEU 180 N -1.87 3.27 -0.01 0.00 1.43 0.21 -4.45 118.68 117.26 1bqs s LEU 180 Ca -0.03 -0.87 0.01 0.00 -1.03 0.00 0.00 54.13 52.21 1bqs s LEU 180 Cb -0.01 -1.75 -0.00 0.00 0.03 0.00 0.00 46.19 44.46 1bqs s LEU 180 CO -0.01 -0.52 -0.05 -0.31 0.23 0.00 0.00 176.35 175.69 1bqs s TYR 181 N -2.50 0.46 -0.13 0.29 1.51 0.49 -1.29 117.35 116.18 1bqs s TYR 181 Ca 0.43 -0.09 -0.05 0.00 -1.01 0.00 0.00 57.07 56.35 1bqs s TYR 181 Cb -0.00 -0.31 -0.04 0.00 -0.11 0.00 0.00 41.96 41.50 1bqs s TYR 181 CO 0.25 -0.02 0.05 0.00 -1.11 0.00 0.00 175.55 174.72 1bqs s GLN 183 N -0.44 1.26 -0.19 0.00 0.74 -0.42 0.07 119.66 120.67 1bqs s GLN 183 Ca 0.09 -0.33 -0.02 0.00 0.05 0.00 0.00 55.36 55.16 1bqs s GLN 183 Cb -0.12 -1.11 -0.00 0.00 1.10 0.00 0.00 33.01 32.88 1bqs s GLN 183 CO 0.02 0.06 -0.11 0.00 -0.55 0.00 0.00 175.29 174.71 1bqs s ALA 184 N 0.48 2.62 -0.04 1.58 0.00 -0.53 -0.85 121.76 125.02 1bqs s ALA 184 Ca -0.09 -1.12 0.07 0.00 0.00 0.00 0.00 51.96 50.83 1bqs s ALA 184 Cb -0.12 -1.43 -0.02 0.00 0.00 0.00 0.00 23.12 21.55 1bqs s ALA 184 CO 0.02 -0.24 -0.25 0.99 0.00 0.00 0.00 175.76 176.27 1bqs s THR 185 N 1.16 2.08 -0.14 0.00 2.01 0.28 -1.16 115.64 119.87 1bqs s THR 185 Ca 0.01 -1.08 0.02 0.00 0.31 0.00 0.00 61.69 60.95 1bqs s THR 185 Cb -0.14 -1.73 0.01 0.00 0.01 0.00 0.00 72.50 70.65 1bqs s THR 185 CO -0.04 0.58 -0.20 -0.32 -0.69 0.00 0.00 174.62 173.95 1bqs s MET 186 N -0.44 2.82 -0.26 4.92 1.75 -0.23 -0.36 119.30 127.50 1bqs s MET 186 Ca 0.05 -0.78 0.02 0.00 -1.25 0.00 0.00 55.69 53.73 1bqs s MET 186 Cb -0.11 -2.34 0.05 0.00 2.84 0.00 0.00 34.83 35.27 1bqs s MET 186 CO 0.01 -0.07 -0.10 1.03 -0.65 0.00 0.00 175.02 175.24 1bqs s ARG 187 N 0.98 2.39 0.42 4.11 0.52 -1.08 -0.88 118.95 125.40 1bqs s ARG 187 Ca -0.04 -1.26 0.07 0.00 -0.52 0.00 0.00 55.73 53.98 1bqs s ARG 187 Cb -0.15 -2.90 -0.06 0.00 0.52 0.00 0.00 34.95 32.36 1bqs s ARG 187 CO -0.04 -0.53 0.10 -0.51 0.02 0.00 0.00 175.30 174.34 1bqs s LEU 188 N 1.16 2.96 -0.24 2.53 1.02 -0.30 -4.46 118.68 121.35 1bqs s LEU 188 Ca -0.06 -1.24 -0.30 0.00 0.02 0.00 0.00 54.13 52.54 1bqs s LEU 188 Cb -0.19 -1.15 -0.07 0.00 0.02 0.00 0.00 46.19 44.80 1bqs s LEU 188 CO -0.05 -0.53 2.20 -2.65 0.02 0.00 0.00 176.35 175.34 1bqs n PRO 189 N -1.13 1.79 0.00 1.29 -0.02 -1.26 -1.82 135.00 133.85 1bqs n PRO 189 Ca -0.04 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 1bqs n PRO 189 Cb 0.66 -3.03 0.00 0.00 -0.02 0.00 0.00 33.50 31.10 1bqs n PRO 189 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1bqs n GLY 190 N 5.88 1.87 3.15 -1.23 0.00 -1.26 -4.69 105.19 108.91 1bqs n GLY 190 Ca 0.32 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.26 1bqs n GLY 190 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1bqs s LEU 191 N 0.00 1.92 -0.13 0.99 0.05 -0.75 -5.13 118.68 115.62 1bqs s LEU 191 Ca 0.00 -0.86 -0.04 0.00 0.05 0.00 0.00 54.13 53.28 1bqs s LEU 191 Cb 0.00 0.61 0.06 0.00 -2.05 0.00 0.00 46.19 44.81 1bqs s LEU 191 CO 0.00 -0.68 0.16 -0.70 -0.55 0.00 0.00 176.35 174.58 1bqs s GLU 192 N -3.91 0.08 0.05 1.48 2.12 -1.26 -1.15 118.70 116.11 1bqs s GLU 192 Ca 0.08 0.33 0.03 0.00 0.36 0.00 0.00 54.97 55.77 1bqs s GLU 192 Cb 0.06 -0.85 -0.04 0.00 0.26 0.00 0.00 34.13 33.57 1bqs s GLU 192 CO -0.09 -0.48 -0.01 -0.51 -0.54 0.00 0.00 175.26 173.63 1bqs s LEU 193 N 2.27 3.44 -0.01 2.70 1.43 -0.06 -4.97 118.68 123.49 1bqs s LEU 193 Ca 0.04 -0.11 -0.06 0.00 -1.03 0.00 0.00 54.13 52.97 1bqs s LEU 193 Cb -0.14 -2.08 0.00 0.00 0.03 0.00 0.00 46.19 44.01 1bqs s LEU 193 CO -0.08 0.23 0.13 -0.55 0.23 0.00 0.00 176.35 176.30 1bqs s SER 194 N -1.91 0.01 -0.16 2.29 0.15 -1.26 -1.07 113.70 111.74 1bqs s SER 194 Ca 0.22 -0.12 -0.02 0.00 0.70 0.00 0.00 55.95 56.73 1bqs s SER 194 Cb -0.12 0.22 0.05 0.00 -1.71 0.00 0.00 66.02 64.46 1bqs s SER 194 CO 0.14 -0.30 0.01 -2.28 1.20 0.00 0.00 173.24 172.01 1bqs s HIS 195 N -1.08 1.09 -0.25 3.44 2.46 -0.31 -4.98 115.29 115.67 1bqs s HIS 195 Ca -0.12 -0.77 -0.09 0.00 0.47 0.00 0.00 55.06 54.56 1bqs s HIS 195 Cb -0.06 -1.04 -0.04 0.00 -0.13 0.00 0.00 32.58 31.31 1bqs s HIS 195 CO 0.01 -0.55 0.11 1.03 -2.47 0.00 0.00 174.74 172.87 1bqs s ARG 196 N 1.83 3.79 -0.23 2.88 0.52 -1.26 -1.46 118.95 125.02 1bqs s ARG 196 Ca 0.01 -0.41 0.00 0.00 -0.52 0.00 0.00 55.73 54.81 1bqs s ARG 196 Cb -0.16 -3.42 0.03 0.00 0.52 0.00 0.00 34.95 31.92 1bqs s ARG 196 CO -0.07 -0.14 -0.11 -1.14 0.02 0.00 0.00 175.30 173.86 1bqs s GLN 197 N 1.53 2.71 0.39 3.54 2.00 0.11 -4.94 119.66 125.00 1bqs s GLN 197 Ca 0.06 -1.04 -0.27 0.00 -2.00 0.00 0.00 55.36 52.11 1bqs s GLN 197 Cb -0.15 -2.84 -0.09 0.00 0.80 0.00 0.00 33.01 30.73 1bqs s GLN 197 CO 0.06 -0.39 1.33 0.00 -0.50 0.00 0.00 175.29 175.79 1bqs s ALA 198 N 1.25 3.34 -0.31 1.58 0.00 -1.26 -1.92 121.76 124.44 1bqs s ALA 198 Ca -0.01 1.29 -0.02 0.00 0.00 0.00 0.00 51.96 53.23 1bqs s ALA 198 Cb -0.17 -3.51 0.10 0.00 0.00 0.00 0.00 23.12 19.55 1bqs s ALA 198 CO -0.07 -0.84 0.12 -1.50 0.00 0.00 0.00 175.76 173.47 1bqs s ILE 199 N -1.22 0.56 0.22 0.00 1.10 -0.41 -4.93 121.20 116.51 1bqs s ILE 199 Ca 0.55 -1.26 -0.32 0.00 -0.51 0.00 0.00 60.65 59.11 1bqs s ILE 199 Cb -0.40 -1.43 -0.13 0.00 0.15 0.00 0.00 42.46 40.65 1bqs s ILE 199 CO 0.52 -0.72 1.60 -2.65 -2.11 0.00 0.00 174.94 171.58 1bqs n PRO 200 N 4.87 2.45 -3.47 3.50 -0.02 -1.26 -0.62 135.00 140.45 1bqs n PRO 200 Ca -0.02 0.88 -0.42 0.00 -2.02 0.00 0.00 63.50 61.92 1bqs n PRO 200 Cb 0.41 -2.66 -0.10 0.00 -0.02 0.00 0.00 33.50 31.13 1bqs n PRO 200 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1bqs s VAL 201 N 0.64 5.26 -0.16 -1.45 1.01 0.01 0.42 120.40 126.12 1bqs s VAL 201 Ca 0.73 -0.54 -0.29 0.00 0.00 0.00 0.00 61.98 61.88 1bqs s VAL 201 Cb -0.58 -3.88 -0.05 0.00 0.00 0.00 0.00 36.38 31.87 1bqs s VAL 201 CO 0.40 -0.24 1.95 -0.76 0.00 0.00 0.00 175.10 176.45 1bqs s LEU 202 N 1.71 3.83 -0.65 3.92 2.01 0.96 -4.67 118.68 125.80 1bqs s LEU 202 Ca 0.06 1.96 -0.24 0.00 0.01 0.00 0.00 54.13 55.92 1bqs s LEU 202 Cb -0.19 -3.52 -0.20 0.00 0.01 0.00 0.00 46.19 42.30 1bqs s LEU 202 CO 0.10 -1.51 1.87 1.41 1.01 0.00 0.00 176.35 179.23 1bqs n HIS 203 N 9.61 1.56 -0.05 0.29 8.25 -1.26 -3.96 115.22 129.67 1bqs n HIS 203 Ca 0.24 -1.57 -0.06 0.00 -0.26 0.00 0.00 57.72 56.07 1bqs n HIS 203 Cb 0.44 -1.56 -0.05 0.00 1.12 0.00 0.00 29.99 29.94 1bqs n HIS 203 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1bqs n SER 204 N 7.95 3.22 -4.54 0.41 3.41 -1.26 -4.90 113.62 117.91 1bqs n SER 204 Ca 0.49 -0.04 -0.21 0.00 -0.26 0.00 0.00 58.87 58.85 1bqs n SER 204 Cb 0.41 0.09 -0.10 0.00 -0.26 0.00 0.00 64.21 64.35 1bqs n SER 204 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 1bqs n PRO 205 N -2.64 0.51 0.00 4.33 -0.02 -1.26 -4.79 135.00 131.13 1bqs n PRO 205 Ca -0.16 -0.46 0.00 0.00 -2.02 0.00 0.00 63.50 60.86 1bqs n PRO 205 Cb 0.70 -3.00 0.00 0.00 -0.02 0.00 0.00 33.50 31.18 1bqs n PRO 205 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1bqs n THR 206 N 7.94 0.00 0.00 3.45 -2.24 -1.26 -4.95 114.28 117.22 1bqs n THR 206 Ca 0.50 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.28 1bqs n THR 206 Cb 0.37 -0.29 0.00 0.00 -2.10 0.00 0.00 70.33 68.31 1bqs n THR 206 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1bqs n SER 207 N 0.00 0.00 -0.57 3.42 3.41 -1.26 -5.03 113.62 113.59 1bqs n SER 207 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1bqs n SER 207 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1bqs n SER 207 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1bqs n PRO 208 N -0.64 3.62 0.00 4.33 -0.04 -1.26 -5.37 135.00 135.65 1bqs n PRO 208 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1bqs n PRO 208 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1bqs n PRO 208 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85