#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nqz s HIS 5 N 0.00 3.85 -0.10 6.00 5.65 -1.26 -5.05 115.29 124.37 1nqz s HIS 5 Ca 0.00 1.80 0.03 0.00 0.25 0.00 0.00 55.06 57.14 1nqz s HIS 5 Cb 0.00 -3.02 0.01 0.00 -1.18 0.00 0.00 32.58 28.39 1nqz s HIS 5 CO 0.00 0.27 -0.21 0.34 -0.65 0.00 0.00 174.74 174.50 1nqz s ASP 6 N -0.27 2.78 0.53 9.88 -1.08 -1.26 -5.01 116.67 122.25 1nqz s ASP 6 Ca 0.45 -0.50 0.27 0.00 -0.52 0.00 0.00 52.55 52.25 1nqz s ASP 6 Cb -0.24 -1.27 1.43 0.00 -1.46 0.00 0.00 42.92 41.38 1nqz s ASP 6 CO 0.30 0.11 1.96 -0.65 0.52 0.00 0.00 175.17 177.41 1nqz h PRO 7 N 6.94 0.00 -0.92 4.34 0.11 -2.01 -0.44 132.00 140.03 1nqz h PRO 7 Ca -0.25 0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.89 1nqz h PRO 7 Cb 1.21 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.27 1nqz h PRO 7 CO 0.49 0.00 0.60 1.25 -0.21 0.00 0.00 178.00 180.13 1nqz h LEU 8 N 0.00 1.00 -1.07 2.35 5.85 -1.97 -1.04 115.31 120.44 1nqz h LEU 8 Ca 0.30 -0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.92 1nqz h LEU 8 Cb 1.23 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.02 1nqz h LEU 8 CO -0.00 0.70 -0.43 0.44 -0.34 0.00 0.00 178.44 178.80 1nqz h ASP 9 N 1.17 0.00 0.16 1.25 3.32 -1.49 -0.58 116.42 120.25 1nqz h ASP 9 Ca 0.36 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.40 1nqz h ASP 9 Cb -0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.54 1nqz h ASP 9 CO -0.11 0.43 -0.08 0.44 -1.72 0.00 0.00 179.24 178.21 1nqz h ASP 10 N 0.00 -0.18 -0.04 6.45 3.32 -1.22 -2.96 116.42 121.80 1nqz h ASP 10 Ca -0.00 -0.33 -0.05 0.00 0.02 0.00 0.00 57.03 56.66 1nqz h ASP 10 Cb 0.83 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.42 1nqz h ASP 10 CO 0.06 0.28 -0.11 -0.29 -1.72 0.00 0.00 179.24 177.46 1nqz h ILE 11 N -0.70 1.19 0.00 0.35 6.09 -1.29 -2.33 117.51 120.81 1nqz h ILE 11 Ca -0.02 -0.80 -0.03 0.00 -1.37 0.00 0.00 64.86 62.63 1nqz h ILE 11 Cb 0.50 1.16 -0.00 0.00 0.47 0.00 0.00 36.82 38.95 1nqz h ILE 11 CO 0.04 0.26 -0.14 1.56 -3.07 0.00 0.00 178.15 176.79 1nqz h GLN 12 N 0.29 0.00 -0.01 2.19 4.20 -1.12 -2.18 115.11 118.48 1nqz h GLN 12 Ca 0.06 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.77 1nqz h GLN 12 Cb 0.38 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.16 1nqz h GLN 12 CO 0.02 0.14 -0.28 0.00 -0.67 0.00 0.00 178.83 178.04 1nqz n ALA 13 N -2.27 3.12 -2.30 3.87 0.00 -0.89 -4.79 120.51 117.24 1nqz n ALA 13 Ca -0.01 -0.54 -0.41 0.00 0.00 0.00 0.00 53.44 52.47 1nqz n ALA 13 Cb 0.28 -0.96 -0.03 0.00 0.00 0.00 0.00 19.45 18.74 1nqz n ALA 13 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1nqz s ASP 14 N -2.36 6.00 0.59 0.00 3.68 -0.82 -4.87 116.67 118.88 1nqz s ASP 14 Ca 0.24 0.41 0.29 0.00 2.13 0.00 0.00 52.55 55.62 1nqz s ASP 14 Cb 0.19 -2.54 1.57 0.00 -1.45 0.00 0.00 42.92 40.69 1nqz s ASP 14 CO 0.49 -1.79 2.01 -0.65 0.13 0.00 0.00 175.17 175.35 1nqz h PRO 15 N 11.74 0.00 -0.23 4.34 0.11 -1.88 -2.21 132.00 143.87 1nqz h PRO 15 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1nqz h PRO 15 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1nqz h PRO 15 CO 1.17 0.00 0.00 0.91 -0.21 0.00 0.00 178.00 179.87 1nqz n TRP 16 N -3.77 0.29 -2.58 0.65 7.02 -1.26 -4.93 117.44 112.87 1nqz n TRP 16 Ca 0.05 -0.22 -0.43 0.00 -1.02 0.00 0.00 57.50 55.88 1nqz n TRP 16 Cb 0.48 -0.01 -0.02 0.00 -2.42 0.00 0.00 31.31 29.34 1nqz n TRP 16 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1nqz s ALA 17 N -1.18 3.62 -0.02 6.99 0.00 -0.84 -5.00 121.76 125.32 1nqz s ALA 17 Ca 0.25 0.34 -0.18 0.00 0.00 0.00 0.00 51.96 52.37 1nqz s ALA 17 Cb 0.15 -3.55 -0.05 0.00 0.00 0.00 0.00 23.12 19.67 1nqz s ALA 17 CO 0.21 -0.98 0.49 -0.51 0.00 0.00 0.00 175.76 174.97 1nqz s LEU 18 N 2.98 4.41 -0.09 0.00 1.43 -1.26 -4.88 118.68 121.27 1nqz s LEU 18 Ca 0.49 1.01 0.01 0.00 -1.03 0.00 0.00 54.13 54.61 1nqz s LEU 18 Cb -0.18 -2.74 -0.02 0.00 0.03 0.00 0.00 46.19 43.28 1nqz s LEU 18 CO 0.12 0.18 -0.13 0.26 0.23 0.00 0.00 176.35 177.01 1nqz s TRP 19 N -0.40 2.78 0.34 0.29 0.52 -1.26 -4.04 118.94 117.17 1nqz s TRP 19 Ca 0.27 -0.37 -0.00 0.00 0.02 0.00 0.00 56.10 56.02 1nqz s TRP 19 Cb -0.17 -1.74 -0.00 0.00 -1.15 0.00 0.00 33.47 30.40 1nqz s TRP 19 CO 0.14 0.01 0.43 -0.48 0.02 0.00 0.00 176.95 177.08 1nqz s LEU 20 N -0.21 1.17 -0.28 2.99 2.34 -0.39 -4.88 118.68 119.42 1nqz s LEU 20 Ca 0.01 -1.55 0.01 0.00 0.06 0.00 0.00 54.13 52.67 1nqz s LEU 20 Cb -0.13 1.27 0.17 0.00 -0.56 0.00 0.00 46.19 46.94 1nqz s LEU 20 CO 0.03 -1.25 0.49 -0.94 -1.06 0.00 0.00 176.35 173.62 1nqz s SER 21 N -3.27 -0.53 0.00 1.48 1.04 -1.26 0.04 113.70 111.20 1nqz s SER 21 Ca 0.33 0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.91 1nqz s SER 21 Cb 0.00 1.57 0.00 0.00 0.10 0.00 0.00 66.02 67.69 1nqz s SER 21 CO 0.22 -0.31 0.00 0.61 0.98 0.00 0.00 173.24 174.74 1nqz n GLY 22 N 5.39 0.00 0.00 7.32 0.00 -1.26 -5.03 105.19 111.61 1nqz n GLY 22 Ca 0.01 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.08 1nqz n GLY 22 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1nqz n TYR 33 N 0.00 0.00 -2.90 1.61 4.02 -1.20 -5.22 117.16 113.47 1nqz n TYR 33 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.48 1nqz n TYR 33 Cb 0.00 -0.19 -0.04 0.00 -0.02 0.00 0.00 39.34 39.09 1nqz n TYR 33 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1nqz s ARG 34 N -2.59 4.39 -0.09 -0.72 0.52 -0.76 -4.90 118.95 114.80 1nqz s ARG 34 Ca -0.02 1.05 -0.04 0.00 -0.52 0.00 0.00 55.73 56.20 1nqz s ARG 34 Cb 0.07 -3.51 -0.04 0.00 0.52 0.00 0.00 34.95 31.99 1nqz s ARG 34 CO 0.45 -0.16 0.09 1.03 0.02 0.00 0.00 175.30 176.73 1nqz s ARG 35 N 1.53 3.25 0.27 3.54 0.52 -1.26 0.69 118.95 127.49 1nqz s ARG 35 Ca 0.41 -0.27 -0.06 0.00 -0.52 0.00 0.00 55.73 55.29 1nqz s ARG 35 Cb -0.18 -3.02 -0.01 0.00 0.52 0.00 0.00 34.95 32.26 1nqz s ARG 35 CO 0.17 0.74 0.39 0.00 0.02 0.00 0.00 175.30 176.62 1nqz s ALA 36 N -1.01 0.49 0.02 2.13 0.00 0.27 -1.92 121.76 121.74 1nqz s ALA 36 Ca 0.16 -1.32 -0.14 0.00 0.00 0.00 0.00 51.96 50.66 1nqz s ALA 36 Cb -0.12 1.18 0.02 0.00 0.00 0.00 0.00 23.12 24.21 1nqz s ALA 36 CO 0.05 -0.77 0.31 0.00 0.00 0.00 0.00 175.76 175.35 1nqz s ALA 37 N -3.69 -0.72 0.06 0.00 0.00 -0.21 -0.90 121.76 116.30 1nqz s ALA 37 Ca 0.29 0.14 0.04 0.00 0.00 0.00 0.00 51.96 52.44 1nqz s ALA 37 Cb 0.01 0.22 -0.03 0.00 0.00 0.00 0.00 23.12 23.32 1nqz s ALA 37 CO 0.14 -0.35 -0.13 0.14 0.00 0.00 0.00 175.76 175.57 1nqz s VAL 38 N -2.03 0.99 -0.14 0.00 -7.23 -0.85 -1.34 120.40 109.81 1nqz s VAL 38 Ca -0.09 -1.16 -0.15 0.00 -1.81 0.00 0.00 61.98 58.77 1nqz s VAL 38 Cb -0.03 -0.95 -0.05 0.00 0.56 0.00 0.00 36.38 35.91 1nqz s VAL 38 CO -0.00 -0.19 0.35 -0.22 -0.31 0.00 0.00 175.10 174.73 1nqz s LEU 39 N -1.52 4.27 -0.67 1.32 2.96 -0.03 -0.63 118.68 124.38 1nqz s LEU 39 Ca -0.02 0.62 0.02 0.00 -0.22 0.00 0.00 54.13 54.52 1nqz s LEU 39 Cb -0.09 -2.47 0.16 0.00 0.50 0.00 0.00 46.19 44.29 1nqz s LEU 39 CO 0.02 0.09 0.46 -0.69 -1.32 0.00 0.00 176.35 174.91 1nqz s VAL 40 N 0.37 3.25 -0.12 1.68 1.01 -0.11 -4.08 120.40 122.40 1nqz s VAL 40 Ca 0.19 -3.63 -0.21 0.00 0.00 0.00 0.00 61.98 58.33 1nqz s VAL 40 Cb -0.14 -3.13 -0.04 0.00 0.00 0.00 0.00 36.38 33.08 1nqz s VAL 40 CO 0.06 -0.93 0.59 0.00 0.00 0.00 0.00 175.10 174.82 1nqz s ALA 41 N -0.79 3.44 -0.06 5.51 0.00 -1.26 -1.91 121.76 126.70 1nqz s ALA 41 Ca 0.21 -0.10 0.04 0.00 0.00 0.00 0.00 51.96 52.11 1nqz s ALA 41 Cb -0.15 -2.83 -0.02 0.00 0.00 0.00 0.00 23.12 20.12 1nqz s ALA 41 CO -0.08 -0.17 -0.17 -0.51 0.00 0.00 0.00 175.76 174.83 1nqz s LEU 42 N 1.01 2.55 0.46 0.00 1.02 -0.16 -1.39 118.68 122.17 1nqz s LEU 42 Ca 0.30 -0.29 -0.21 0.00 0.02 0.00 0.00 54.13 53.95 1nqz s LEU 42 Cb -0.16 -1.51 -0.09 0.00 0.02 0.00 0.00 46.19 44.45 1nqz s LEU 42 CO 0.13 0.30 1.02 0.42 0.02 0.00 0.00 176.35 178.24 1nqz s THR 43 N -0.48 3.90 -1.16 5.49 -4.23 -0.55 -1.12 115.64 117.50 1nqz s THR 43 Ca 0.06 1.23 -0.17 0.00 -1.18 0.00 0.00 61.69 61.64 1nqz s THR 43 Cb -0.12 -3.53 0.13 0.00 1.34 0.00 0.00 72.50 70.32 1nqz s THR 43 CO 0.01 -0.21 1.45 -0.60 -0.54 0.00 0.00 174.62 174.74 1nqz s ARG 44 N -3.07 3.92 0.31 3.99 3.52 0.15 -4.48 118.95 123.29 1nqz s ARG 44 Ca 0.64 -2.14 -0.14 0.00 -0.13 0.00 0.00 55.73 53.97 1nqz s ARG 44 Cb -0.16 -5.18 0.02 0.00 -1.56 0.00 0.00 34.95 28.07 1nqz s ARG 44 CO 0.20 -1.94 0.62 -1.83 -0.81 0.00 0.00 175.30 171.55 1nqz s GLU 45 N 2.78 1.87 0.10 5.12 -1.05 -1.26 -4.49 118.70 121.78 1nqz s GLU 45 Ca 0.44 -1.34 -0.35 0.00 -0.15 0.00 0.00 54.97 53.57 1nqz s GLU 45 Cb -0.01 0.54 -0.15 0.00 -0.44 0.00 0.00 34.13 34.07 1nqz s GLU 45 CO -0.01 -0.83 1.56 0.00 0.95 0.00 0.00 175.26 176.93 1nqz h ALA 46 N 2.09 -1.01 -2.91 -0.84 0.00 -2.05 -3.26 119.26 111.28 1nqz h ALA 46 Ca -0.27 -0.12 -0.74 0.00 0.00 0.00 0.00 54.91 53.79 1nqz h ALA 46 Cb 1.25 0.89 -0.32 0.00 0.00 0.00 0.00 17.79 19.60 1nqz h ALA 46 CO 0.35 -1.14 -0.06 0.34 0.00 0.00 0.00 179.25 178.74 1nqz s ASP 47 N -4.64 6.11 0.25 0.00 2.15 -1.26 -5.06 116.67 114.22 1nqz s ASP 47 Ca -0.17 -3.19 -0.30 0.00 0.43 0.00 0.00 52.55 49.33 1nqz s ASP 47 Cb 0.06 -2.00 -0.14 0.00 -0.30 0.00 0.00 42.92 40.53 1nqz s ASP 47 CO 0.61 -0.35 1.19 -2.65 -0.17 0.00 0.00 175.17 173.80 1nqz n PRO 48 N 3.14 1.57 -4.10 4.34 -0.02 -1.23 -4.74 135.00 133.96 1nqz n PRO 48 Ca 0.16 0.56 -0.30 0.00 -2.02 0.00 0.00 63.50 61.89 1nqz n PRO 48 Cb 0.40 -2.06 -0.07 0.00 -0.02 0.00 0.00 33.50 31.74 1nqz n PRO 48 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1nqz s ARG 49 N -0.95 2.67 -0.12 -0.52 0.52 -1.26 -0.78 118.95 118.51 1nqz s ARG 49 Ca 0.65 -0.78 -0.02 0.00 -0.52 0.00 0.00 55.73 55.06 1nqz s ARG 49 Cb -0.71 -2.61 -0.03 0.00 0.52 0.00 0.00 34.95 32.12 1nqz s ARG 49 CO 0.55 0.55 -0.06 0.54 0.02 0.00 0.00 175.30 176.91 1nqz s VAL 50 N -1.33 3.75 -0.36 3.52 0.11 -0.24 -1.48 120.40 124.37 1nqz s VAL 50 Ca 0.27 -0.43 -0.29 0.00 -2.93 0.00 0.00 61.98 58.60 1nqz s VAL 50 Cb -0.12 -2.60 0.01 0.00 -1.53 0.00 0.00 36.38 32.15 1nqz s VAL 50 CO 0.19 0.54 1.22 -0.22 -3.33 0.00 0.00 175.10 173.50 1nqz s LEU 51 N -0.08 3.80 0.21 2.54 2.96 -0.49 -3.60 118.68 124.02 1nqz s LEU 51 Ca 0.01 0.94 0.06 0.00 -0.22 0.00 0.00 54.13 54.92 1nqz s LEU 51 Cb -0.13 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 42.97 1nqz s LEU 51 CO 0.03 -1.11 -0.09 -0.76 -1.32 0.00 0.00 176.35 173.09 1nqz s LEU 52 N 4.34 2.48 0.15 -0.68 1.43 -0.22 -4.62 118.68 121.56 1nqz s LEU 52 Ca 0.52 -1.08 0.06 0.00 -1.03 0.00 0.00 54.13 52.60 1nqz s LEU 52 Cb -0.13 -0.52 -0.04 0.00 0.03 0.00 0.00 46.19 45.53 1nqz s LEU 52 CO 0.24 -0.30 -0.14 0.42 0.23 0.00 0.00 176.35 176.81 1nqz s THR 53 N -3.14 1.43 -0.23 5.49 -4.23 0.28 -1.08 115.64 114.16 1nqz s THR 53 Ca 0.23 -1.93 -0.01 0.00 -1.18 0.00 0.00 61.69 58.81 1nqz s THR 53 Cb 0.02 -1.75 0.03 0.00 1.34 0.00 0.00 72.50 72.14 1nqz s THR 53 CO 0.07 -0.53 -0.10 -0.69 -0.54 0.00 0.00 174.62 172.83 1nqz s VAL 54 N -2.61 2.61 0.45 2.29 1.01 -0.56 -1.28 120.40 122.32 1nqz s VAL 54 Ca 0.14 -1.05 -0.22 0.00 0.00 0.00 0.00 61.98 60.86 1nqz s VAL 54 Cb -0.02 -2.29 -0.08 0.00 0.00 0.00 0.00 36.38 33.98 1nqz s VAL 54 CO 0.04 0.27 1.06 -0.13 0.00 0.00 0.00 175.10 176.34 1nqz s ARG 55 N 1.30 3.92 -0.96 2.72 1.81 0.11 -0.23 118.95 127.62 1nqz s ARG 55 Ca 0.01 1.47 -0.24 0.00 -1.72 0.00 0.00 55.73 55.25 1nqz s ARG 55 Cb -0.16 -2.30 -0.02 0.00 -0.45 0.00 0.00 34.95 32.02 1nqz s ARG 55 CO -0.07 -0.35 1.81 -1.54 -0.68 0.00 0.00 175.30 174.48 1nqz s SER 56 N -1.74 5.54 0.06 0.23 1.04 -0.99 -3.98 113.70 113.85 1nqz s SER 56 Ca 0.63 -0.99 -0.29 0.00 0.48 0.00 0.00 55.95 55.79 1nqz s SER 56 Cb -0.20 -2.56 -0.15 0.00 0.10 0.00 0.00 66.02 63.20 1nqz s SER 56 CO 0.25 -2.40 0.71 0.29 0.98 0.00 0.00 173.24 173.07 1nqz n LYS 63 N 8.82 0.00 -2.47 4.02 5.02 -1.26 -4.88 118.16 127.41 1nqz n LYS 63 Ca 0.39 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 56.34 1nqz n LYS 63 Cb 0.48 -1.08 -0.03 0.00 -0.02 0.00 0.00 35.03 34.39 1nqz n LYS 63 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1nqz s GLY 64 N -0.28 2.43 -0.08 0.72 0.00 -1.26 -4.99 107.32 103.87 1nqz s GLY 64 Ca 0.66 0.56 -0.30 0.00 0.00 0.00 0.00 44.72 45.64 1nqz s GLY 64 CO 0.46 0.87 1.50 1.62 0.00 0.00 0.00 173.10 177.55 1nqz s GLN 65 N -3.38 4.21 -0.13 2.90 2.00 -1.26 -4.69 119.66 119.31 1nqz s GLN 65 Ca 0.66 2.01 -0.23 0.00 -2.00 0.00 0.00 55.36 55.80 1nqz s GLN 65 Cb -0.16 -3.85 -0.03 0.00 0.80 0.00 0.00 33.01 29.77 1nqz s GLN 65 CO 0.23 -0.76 0.71 0.42 -0.50 0.00 0.00 175.29 175.38 1nqz s ILE 66 N 3.61 5.00 0.18 -2.34 1.01 -1.26 -0.71 121.20 126.70 1nqz s ILE 66 Ca 0.67 1.40 -0.17 0.00 0.00 0.00 0.00 60.65 62.55 1nqz s ILE 66 Cb -0.30 -4.03 0.03 0.00 0.01 0.00 0.00 42.46 38.17 1nqz s ILE 66 CO 0.25 0.16 0.51 0.00 0.00 0.00 0.00 174.94 175.86 1nqz s ALA 67 N 1.41 -0.95 0.50 9.38 0.00 -0.41 -4.83 121.76 126.87 1nqz s ALA 67 Ca 0.35 -0.17 -0.10 0.00 0.00 0.00 0.00 51.96 52.04 1nqz s ALA 67 Cb -0.17 0.84 -0.05 0.00 0.00 0.00 0.00 23.12 23.74 1nqz s ALA 67 CO 0.14 -0.78 0.88 -0.06 0.00 0.00 0.00 175.76 175.94 1nqz s PHE 68 N -3.86 3.54 0.36 0.00 0.40 -1.26 -0.56 117.98 116.61 1nqz s PHE 68 Ca 0.08 1.09 -0.28 0.00 -0.60 0.00 0.00 56.93 57.22 1nqz s PHE 68 Cb -0.01 -2.52 -0.11 0.00 0.51 0.00 0.00 43.02 40.90 1nqz s PHE 68 CO -0.04 -0.36 1.44 -2.14 0.70 0.00 0.00 175.22 174.81 1nqz s PRO 69 N -4.54 4.18 0.00 0.24 0.02 -1.26 -4.82 135.00 128.82 1nqz s PRO 69 Ca 0.52 2.47 0.00 0.00 0.02 0.00 0.00 61.00 64.01 1nqz s PRO 69 Cb -0.10 -3.00 0.00 0.00 0.02 0.00 0.00 34.50 31.42 1nqz s PRO 69 CO 0.42 -0.43 0.00 0.41 -0.33 0.00 0.00 177.00 177.07 1nqz n GLY 70 N 0.57 -1.55 0.00 0.52 0.00 -1.26 -0.85 105.19 102.62 1nqz n GLY 70 Ca 0.01 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.98 1nqz n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nqz n GLY 71 N -0.19 -2.34 3.78 -0.02 0.00 -0.45 -4.92 105.19 101.05 1nqz n GLY 71 Ca 0.00 -1.23 -0.36 0.00 0.00 0.00 0.00 46.02 44.43 1nqz n GLY 71 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1nqz s SER 72 N -0.13 6.31 0.22 1.61 0.01 -1.26 -1.04 113.70 119.41 1nqz s SER 72 Ca 0.00 2.18 -0.30 0.00 1.31 0.00 0.00 55.95 59.15 1nqz s SER 72 Cb 0.00 -2.59 -0.09 0.00 0.21 0.00 0.00 66.02 63.55 1nqz s SER 72 CO 0.00 -0.81 1.24 -0.76 0.41 0.00 0.00 173.24 173.32 1nqz s LEU 73 N -3.03 4.45 0.87 2.44 1.43 -0.81 -4.86 118.68 119.17 1nqz s LEU 73 Ca 0.63 2.37 -0.13 0.00 -1.03 0.00 0.00 54.13 55.97 1nqz s LEU 73 Cb -0.25 -3.62 0.12 0.00 0.03 0.00 0.00 46.19 42.47 1nqz s LEU 73 CO 0.31 -0.43 1.19 -1.81 0.23 0.00 0.00 176.35 175.84 1nqz s ASP 74 N 0.00 3.89 0.26 2.29 1.01 -1.26 -4.94 116.67 117.92 1nqz s ASP 74 Ca 0.53 0.75 -0.30 0.00 0.71 0.00 0.00 52.55 54.24 1nqz s ASP 74 Cb -0.35 -1.19 -0.11 0.00 1.01 0.00 0.00 42.92 42.28 1nqz s ASP 74 CO 0.40 -2.29 1.51 0.00 0.21 0.00 0.00 175.17 175.00 1nqz s ALA 75 N -3.52 3.69 0.00 5.23 0.00 -1.26 -2.12 121.76 123.78 1nqz s ALA 75 Ca 0.65 1.42 0.00 0.00 0.00 0.00 0.00 51.96 54.03 1nqz s ALA 75 Cb -0.11 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.41 1nqz s ALA 75 CO 0.51 -0.83 0.00 0.41 0.00 0.00 0.00 175.76 175.85 1nqz n GLY 76 N 2.36 0.39 3.80 0.00 0.00 -1.26 -5.00 105.19 105.48 1nqz n GLY 76 Ca 0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 1nqz n GLY 76 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1nqz s GLU 77 N -0.71 3.50 0.70 1.61 2.12 -0.90 -5.11 118.70 119.91 1nqz s GLU 77 Ca 0.00 -0.21 -0.08 0.00 0.36 0.00 0.00 54.97 55.04 1nqz s GLU 77 Cb 0.00 -3.15 0.05 0.00 0.26 0.00 0.00 34.13 31.29 1nqz s GLU 77 CO 0.00 0.66 1.03 0.95 -0.54 0.00 0.00 175.26 177.37 1nqz s THR 78 N -0.71 2.62 0.16 -1.70 -4.23 -1.26 -4.62 115.64 105.91 1nqz s THR 78 Ca 0.13 -0.08 -0.15 0.00 -1.18 0.00 0.00 61.69 60.40 1nqz s THR 78 Cb -0.12 -3.14 0.03 0.00 1.34 0.00 0.00 72.50 70.62 1nqz s THR 78 CO 0.03 -0.16 1.81 -0.65 -0.54 0.00 0.00 174.62 175.10 1nqz h PRO 79 N -0.61 0.52 -0.49 3.99 0.11 -1.97 -1.27 132.00 132.26 1nqz h PRO 79 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1nqz h PRO 79 Cb 1.30 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 1nqz h PRO 79 CO 0.62 0.34 0.31 1.15 -0.21 0.00 0.00 178.00 180.21 1nqz h THR 80 N 0.53 1.14 -0.72 -1.15 2.02 -1.94 -0.05 112.91 112.74 1nqz h THR 80 Ca 0.17 -0.30 -0.01 0.00 0.77 0.00 0.00 66.41 67.05 1nqz h THR 80 Cb -0.00 0.45 -0.03 0.00 -1.74 0.00 0.00 68.15 66.83 1nqz h THR 80 CO -0.07 0.14 0.42 1.56 0.37 0.00 0.00 175.52 177.93 1nqz h GLN 81 N 0.66 0.99 -0.04 6.66 4.20 -1.87 -1.63 115.11 124.08 1nqz h GLN 81 Ca 0.18 -0.10 -0.00 0.00 0.06 0.00 0.00 58.65 58.78 1nqz h GLN 81 Cb -0.04 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 27.54 1nqz h GLN 81 CO -0.04 0.72 0.02 0.00 -0.67 0.00 0.00 178.83 178.86 1nqz h ALA 82 N 1.21 0.06 -0.29 3.87 0.00 -0.82 -0.83 119.26 122.46 1nqz h ALA 82 Ca 0.26 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.11 1nqz h ALA 82 Cb 0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1nqz h ALA 82 CO -0.04 -0.35 0.06 0.00 0.00 0.00 0.00 179.25 178.92 1nqz h ALA 83 N 0.83 0.30 -0.40 0.00 0.00 -0.84 0.28 119.26 119.43 1nqz h ALA 83 Ca 0.01 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1nqz h ALA 83 Cb 0.19 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1nqz h ALA 83 CO -0.00 -0.35 0.13 -0.07 0.00 0.00 0.00 179.25 178.96 1nqz h LEU 84 N 0.17 0.58 -0.42 0.00 3.38 -1.25 -1.88 115.31 115.88 1nqz h LEU 84 Ca 0.13 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1nqz h LEU 84 Cb 0.14 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1nqz h LEU 84 CO -0.17 0.63 0.28 -0.09 0.09 0.00 0.00 178.44 179.17 1nqz h ARG 85 N 0.51 0.56 -0.61 1.13 2.43 -0.85 -1.43 114.38 116.12 1nqz h ARG 85 Ca 0.13 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1nqz h ARG 85 Cb 0.25 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.64 1nqz h ARG 85 CO -0.01 0.38 0.38 0.93 -1.51 0.00 0.00 179.97 180.14 1nqz h GLU 86 N 0.57 0.82 -0.49 0.20 4.39 -0.81 0.33 114.58 119.59 1nqz h GLU 86 Ca 0.15 -0.07 -0.05 0.00 0.34 0.00 0.00 59.36 59.73 1nqz h GLU 86 Cb -0.06 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.39 1nqz h GLU 86 CO -0.03 0.58 0.08 0.00 -1.16 0.00 0.00 179.01 178.48 1nqz h ALA 87 N 1.19 1.23 -0.12 3.43 0.00 -1.12 0.12 119.26 123.99 1nqz h ALA 87 Ca 0.22 -0.21 -0.20 0.00 0.00 0.00 0.00 54.91 54.72 1nqz h ALA 87 Cb -0.04 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.55 1nqz h ALA 87 CO -0.04 0.53 -0.74 0.37 0.00 0.00 0.00 179.25 179.36 1nqz h GLN 88 N 0.73 0.60 -0.14 0.00 4.15 -0.63 -1.56 115.11 118.25 1nqz h GLN 88 Ca 0.16 -0.48 -0.18 0.00 0.77 0.00 0.00 58.65 58.92 1nqz h GLN 88 Cb 0.33 0.10 -0.00 0.00 0.21 0.00 0.00 27.48 28.11 1nqz h GLN 88 CO 0.00 1.10 -0.65 0.93 -1.93 0.00 0.00 178.83 178.28 1nqz h GLU 89 N 0.41 0.53 0.00 1.69 5.08 -0.10 -2.04 114.58 120.16 1nqz h GLU 89 Ca -0.04 -0.39 -0.00 0.00 -1.00 0.00 0.00 59.36 57.93 1nqz h GLU 89 Cb 1.34 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.65 1nqz h GLU 89 CO 0.14 1.01 -0.00 0.93 -1.00 0.00 0.00 179.01 180.09 1nqz h GLU 90 N 0.39 -0.00 0.00 2.33 5.08 -0.77 -3.42 114.58 118.19 1nqz h GLU 90 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1nqz h GLU 90 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1nqz h GLU 90 CO 0.12 0.88 -0.09 1.33 -1.00 0.00 0.00 179.01 180.26 1nqz n VAL 91 N -4.64 1.10 -2.09 3.13 0.24 -0.61 -1.72 118.33 113.74 1nqz n VAL 91 Ca -0.09 -1.26 -0.17 0.00 -2.04 0.00 0.00 64.34 60.78 1nqz n VAL 91 Cb 0.43 0.24 -0.03 0.00 -1.47 0.00 0.00 33.84 33.01 1nqz n VAL 91 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1nqz n ALA 92 N -0.76 -0.43 -2.30 2.33 0.00 -0.77 -0.87 120.51 117.72 1nqz n ALA 92 Ca 0.07 0.17 -0.43 0.00 0.00 0.00 0.00 53.44 53.25 1nqz n ALA 92 Cb 0.52 -1.83 -0.02 0.00 0.00 0.00 0.00 19.45 18.12 1nqz n ALA 92 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1nqz s LEU 93 N -4.53 4.12 -0.07 0.00 2.96 -1.05 -4.78 118.68 115.32 1nqz s LEU 93 Ca 0.00 1.70 -0.30 0.00 -0.22 0.00 0.00 54.13 55.31 1nqz s LEU 93 Cb 0.00 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.11 1nqz s LEU 93 CO 0.00 -0.92 1.47 -0.62 -1.32 0.00 0.00 176.35 174.96 1nqz s ASP 94 N 2.70 6.80 0.48 3.68 2.15 -1.26 -3.45 116.67 127.77 1nqz s ASP 94 Ca 0.61 2.04 0.23 0.00 0.43 0.00 0.00 52.55 55.86 1nqz s ASP 94 Cb -0.23 -2.54 1.27 0.00 -0.30 0.00 0.00 42.92 41.11 1nqz s ASP 94 CO 0.21 -0.82 1.91 -0.65 -0.17 0.00 0.00 175.17 175.64 1nqz h PRO 95 N 8.70 0.19 0.00 4.34 0.11 -1.93 0.27 132.00 143.68 1nqz h PRO 95 Ca -0.35 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1nqz h PRO 95 Cb 1.15 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1nqz h PRO 95 CO 0.95 0.13 0.00 0.00 -0.21 0.00 0.00 178.00 178.86 1nqz n ALA 96 N -2.60 1.67 1.16 -0.75 0.00 -1.26 -1.59 120.51 117.13 1nqz n ALA 96 Ca 0.16 0.05 0.14 0.00 0.00 0.00 0.00 53.44 53.79 1nqz n ALA 96 Cb 0.73 -1.35 0.54 0.00 0.00 0.00 0.00 19.45 19.37 1nqz n ALA 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nqz n ALA 97 N -1.71 2.77 -2.81 0.00 0.00 0.94 -4.80 120.51 114.90 1nqz n ALA 97 Ca 0.02 -0.22 -0.36 0.00 0.00 0.00 0.00 53.44 52.89 1nqz n ALA 97 Cb 0.22 -1.34 -0.10 0.00 0.00 0.00 0.00 19.45 18.22 1nqz n ALA 97 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1nqz s VAL 98 N -2.80 4.88 -0.33 0.00 1.01 -0.62 -4.40 120.40 118.14 1nqz s VAL 98 Ca 0.19 0.01 -0.16 0.00 0.00 0.00 0.00 61.98 62.02 1nqz s VAL 98 Cb 0.19 -3.25 -0.01 0.00 0.00 0.00 0.00 36.38 33.31 1nqz s VAL 98 CO 0.55 0.39 0.39 -0.89 0.00 0.00 0.00 175.10 175.53 1nqz s THR 99 N 0.91 5.15 -0.02 3.92 2.01 -0.13 -4.87 115.64 122.60 1nqz s THR 99 Ca 0.05 0.16 -0.30 0.00 0.31 0.00 0.00 61.69 61.91 1nqz s THR 99 Cb -0.13 -3.83 -0.05 0.00 0.01 0.00 0.00 72.50 68.50 1nqz s THR 99 CO 0.03 -0.08 1.37 -0.76 -0.69 0.00 0.00 174.62 174.49 1nqz s LEU 100 N 2.08 4.30 0.00 4.42 1.43 -1.26 -0.50 118.68 129.15 1nqz s LEU 100 Ca 0.13 2.04 0.19 0.00 -1.03 0.00 0.00 54.13 55.46 1nqz s LEU 100 Cb -0.16 -3.56 0.24 0.00 0.03 0.00 0.00 46.19 42.74 1nqz s LEU 100 CO 0.12 -0.71 1.19 0.18 0.23 0.00 0.00 176.35 177.35 1nqz n LEU 101 N 5.53 2.83 0.00 1.79 4.77 -0.37 -4.96 117.00 126.61 1nqz n LEU 101 Ca 0.13 -1.24 0.00 0.00 -0.03 0.00 0.00 56.01 54.87 1nqz n LEU 101 Cb 0.44 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 1nqz n LEU 101 CO 0.58 0.56 0.00 0.61 -1.33 0.00 0.00 177.39 177.81 1nqz n GLY 102 N 1.12 -1.25 3.29 -0.72 0.00 -1.24 -4.91 105.19 101.48 1nqz n GLY 102 Ca 0.13 -2.10 -0.16 0.00 0.00 0.00 0.00 46.02 43.90 1nqz n GLY 102 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1nqz s GLU 103 N 0.00 1.20 0.76 1.61 1.03 -1.26 0.42 118.70 122.46 1nqz s GLU 103 Ca 0.00 -1.56 -0.05 0.00 0.03 0.00 0.00 54.97 53.39 1nqz s GLU 103 Cb 0.00 -0.64 0.13 0.00 -0.80 0.00 0.00 34.13 32.82 1nqz s GLU 103 CO 0.00 -0.00 1.06 -0.51 -1.33 0.00 0.00 175.26 174.48 1nqz s LEU 104 N -3.24 2.92 0.57 1.83 1.43 -0.33 -4.90 118.68 116.96 1nqz s LEU 104 Ca 0.22 -0.11 -0.19 0.00 -1.03 0.00 0.00 54.13 53.02 1nqz s LEU 104 Cb 0.04 -2.23 -0.04 0.00 0.03 0.00 0.00 46.19 43.98 1nqz s LEU 104 CO 0.05 -1.99 1.18 -1.81 0.23 0.00 0.00 176.35 174.01 1nqz s ASP 105 N -4.73 5.39 0.47 2.29 1.01 -1.26 -4.43 116.67 115.42 1nqz s ASP 105 Ca 0.67 2.32 -0.24 0.00 0.71 0.00 0.00 52.55 56.01 1nqz s ASP 105 Cb -0.06 -2.59 -0.07 0.00 1.01 0.00 0.00 42.92 41.21 1nqz s ASP 105 CO 0.46 -1.45 1.30 -1.81 0.21 0.00 0.00 175.17 173.88 1nqz s ASP 106 N -1.63 5.90 0.05 0.27 -0.00 -1.26 -4.54 116.67 115.46 1nqz s ASP 106 Ca 0.75 2.62 0.06 0.00 -0.00 0.00 0.00 52.55 55.98 1nqz s ASP 106 Cb -0.28 -2.63 -0.04 0.00 -0.00 0.00 0.00 42.92 39.97 1nqz s ASP 106 CO 0.31 -1.13 -0.11 0.68 -0.00 0.00 0.00 175.17 174.92 1nqz s VAL 107 N -1.34 3.29 0.15 -1.27 -7.23 -0.57 -4.40 120.40 109.02 1nqz s VAL 107 Ca 0.64 -1.08 -0.10 0.00 -1.81 0.00 0.00 61.98 59.63 1nqz s VAL 107 Cb -0.37 -2.46 -0.00 0.00 0.56 0.00 0.00 36.38 34.11 1nqz s VAL 107 CO 0.45 0.27 0.29 0.72 -0.31 0.00 0.00 175.10 176.53 1nqz s PHE 108 N -1.06 0.29 -0.02 2.82 -0.12 0.11 -0.60 117.98 119.40 1nqz s PHE 108 Ca 0.18 -0.66 0.05 0.00 -0.05 0.00 0.00 56.93 56.44 1nqz s PHE 108 Cb -0.11 -0.01 -0.01 0.00 -0.63 0.00 0.00 43.02 42.27 1nqz s PHE 108 CO 0.09 -0.71 -0.16 -0.08 -0.05 0.00 0.00 175.22 174.31 1nqz s THR 109 N -3.94 1.29 0.31 -4.49 -1.32 -0.90 -1.26 115.64 105.33 1nqz s THR 109 Ca 0.14 -0.67 0.02 0.00 -1.21 0.00 0.00 61.69 59.96 1nqz s THR 109 Cb 0.03 -1.08 0.42 0.00 -1.51 0.00 0.00 72.50 70.36 1nqz s THR 109 CO -0.02 0.37 1.57 -0.65 -2.21 0.00 0.00 174.62 173.67 1nqz h PRO 110 N 5.93 0.00 -1.15 7.08 0.11 -1.90 -1.22 132.00 140.85 1nqz h PRO 110 Ca -0.35 -0.00 0.33 0.00 0.11 0.00 0.00 66.00 66.09 1nqz h PRO 110 Cb 1.16 -0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.21 1nqz h PRO 110 CO 0.48 0.00 0.81 -0.24 -0.21 0.00 0.00 178.00 178.84 1nqz h VAL 111 N 0.00 0.43 0.00 3.15 3.04 -1.97 -3.44 116.25 117.46 1nqz h VAL 111 Ca 0.60 -0.03 0.00 0.00 -1.01 0.00 0.00 66.70 66.26 1nqz h VAL 111 Cb 1.23 0.34 0.00 0.00 -2.01 0.00 0.00 31.29 30.85 1nqz h VAL 111 CO -0.94 0.02 0.00 0.61 -1.01 0.00 0.00 177.57 176.25 1nqz n GLY 112 N -1.70 0.59 2.81 3.17 0.00 -0.47 -4.89 105.19 104.70 1nqz n GLY 112 Ca 0.25 -0.03 -0.18 0.00 0.00 0.00 0.00 46.02 46.07 1nqz n GLY 112 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1nqz s PHE 113 N 0.00 0.38 -0.17 1.61 0.40 -1.19 -1.83 117.98 117.19 1nqz s PHE 113 Ca 0.00 -0.02 0.01 0.00 -0.60 0.00 0.00 56.93 56.31 1nqz s PHE 113 Cb 0.00 -0.48 0.01 0.00 0.51 0.00 0.00 43.02 43.06 1nqz s PHE 113 CO 0.00 -0.16 -0.17 -1.01 0.70 0.00 0.00 175.22 174.58 1nqz s HIS 114 N 1.17 2.77 -0.14 0.36 3.76 0.22 -2.12 115.29 121.31 1nqz s HIS 114 Ca -0.08 -1.31 -0.00 0.00 -0.15 0.00 0.00 55.06 53.52 1nqz s HIS 114 Cb -0.13 -1.90 -0.01 0.00 1.11 0.00 0.00 32.58 31.64 1nqz s HIS 114 CO -0.02 -0.63 -0.13 0.08 -0.85 0.00 0.00 174.74 173.19 1nqz s VAL 115 N 1.04 2.92 -0.38 -0.90 1.01 0.23 -0.56 120.40 123.76 1nqz s VAL 115 Ca -0.01 -0.70 -0.14 0.00 0.00 0.00 0.00 61.98 61.14 1nqz s VAL 115 Cb -0.14 -2.23 0.01 0.00 0.00 0.00 0.00 36.38 34.01 1nqz s VAL 115 CO -0.05 0.52 0.27 -0.89 0.00 0.00 0.00 175.10 174.94 1nqz s THR 116 N 0.57 5.15 -0.44 3.92 2.01 -0.08 -1.52 115.64 125.25 1nqz s THR 116 Ca -0.08 -0.55 -0.26 0.00 0.31 0.00 0.00 61.69 61.11 1nqz s THR 116 Cb -0.16 -3.80 0.03 0.00 0.01 0.00 0.00 72.50 68.58 1nqz s THR 116 CO 0.03 -0.20 0.96 -2.16 -0.69 0.00 0.00 174.62 172.57 1nqz s PRO 117 N 1.67 3.63 -0.33 4.92 0.04 -1.26 -2.00 135.00 141.67 1nqz s PRO 117 Ca 0.05 0.32 -0.22 0.00 0.04 0.00 0.00 61.00 61.18 1nqz s PRO 117 Cb -0.18 -3.90 0.00 0.00 0.04 0.00 0.00 34.50 30.46 1nqz s PRO 117 CO 0.10 -1.19 0.74 0.08 0.04 0.00 0.00 177.00 176.76 1nqz s VAL 118 N 3.82 4.81 0.26 -0.36 1.01 0.19 -1.19 120.40 128.95 1nqz s VAL 118 Ca 0.39 0.94 -0.21 0.00 0.00 0.00 0.00 61.98 63.10 1nqz s VAL 118 Cb -0.10 -4.13 -0.09 0.00 0.00 0.00 0.00 36.38 32.06 1nqz s VAL 118 CO 0.26 -0.30 0.79 -0.76 0.00 0.00 0.00 175.10 175.08 1nqz s LEU 119 N 2.91 4.30 0.08 3.92 1.43 0.17 -0.93 118.68 130.56 1nqz s LEU 119 Ca 0.30 1.51 -0.17 0.00 -1.03 0.00 0.00 54.13 54.74 1nqz s LEU 119 Cb -0.14 -3.77 0.03 0.00 0.03 0.00 0.00 46.19 42.34 1nqz s LEU 119 CO 0.14 -0.03 0.39 -0.83 0.23 0.00 0.00 176.35 176.25 1nqz s GLY 120 N -1.72 -0.25 -0.04 -3.19 0.00 -0.80 -1.23 107.32 100.08 1nqz s GLY 120 Ca 0.47 0.10 0.04 0.00 0.00 0.00 0.00 44.72 45.33 1nqz s GLY 120 CO 0.21 -0.15 -0.18 -1.60 0.00 0.00 0.00 173.10 171.38 1nqz s ARG 121 N -3.07 1.85 0.21 2.90 3.52 0.34 -0.99 118.95 123.71 1nqz s ARG 121 Ca -0.02 -0.64 0.07 0.00 -0.13 0.00 0.00 55.73 55.02 1nqz s ARG 121 Cb 0.01 -1.60 -0.05 0.00 -1.56 0.00 0.00 34.95 31.74 1nqz s ARG 121 CO -0.07 0.26 -0.12 0.96 -0.81 0.00 0.00 175.30 175.52 1nqz s ILE 122 N 0.01 1.66 0.43 4.11 -4.36 -0.27 -0.95 121.20 121.83 1nqz s ILE 122 Ca -0.04 -2.18 -0.23 0.00 -0.26 0.00 0.00 60.65 57.94 1nqz s ILE 122 Cb -0.12 -2.11 -0.08 0.00 1.25 0.00 0.00 42.46 41.41 1nqz s ILE 122 CO 0.02 -0.55 1.12 0.00 0.24 0.00 0.00 174.94 175.77 1nqz s ALA 123 N -3.02 3.03 0.36 2.27 0.00 -1.26 0.33 121.76 123.47 1nqz s ALA 123 Ca 0.23 0.85 0.05 0.00 0.00 0.00 0.00 51.96 53.09 1nqz s ALA 123 Cb 0.00 -3.34 0.72 0.00 0.00 0.00 0.00 23.12 20.50 1nqz s ALA 123 CO 0.07 -0.48 1.95 -1.35 0.00 0.00 0.00 175.76 175.96 1nqz h PRO 124 N 2.26 0.76 0.00 0.00 0.11 -1.92 -1.05 132.00 132.15 1nqz h PRO 124 Ca -0.49 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.57 1nqz h PRO 124 Cb 1.23 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 1nqz h PRO 124 CO 0.61 0.50 -0.03 0.93 -0.21 0.00 0.00 178.00 179.81 1nqz h GLU 125 N 0.78 0.00 -0.63 1.05 3.07 -1.97 -2.49 114.58 114.39 1nqz h GLU 125 Ca 0.32 0.00 0.16 0.00 -0.50 0.00 0.00 59.36 59.34 1nqz h GLU 125 Cb 0.26 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.14 1nqz h GLU 125 CO -0.11 0.03 0.44 0.00 -1.40 0.00 0.00 179.01 177.97 1nqz h ALA 126 N 1.97 2.39 -0.31 3.43 0.00 -1.55 -1.25 119.26 123.93 1nqz h ALA 126 Ca -0.00 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1nqz h ALA 126 Cb 0.06 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1nqz h ALA 126 CO 0.00 -0.57 -0.09 -0.07 0.00 0.00 0.00 179.25 178.52 1nqz h LEU 127 N 0.15 0.50 -1.87 0.00 3.38 -1.60 -3.22 115.31 112.65 1nqz h LEU 127 Ca 0.31 -0.12 0.10 0.00 0.09 0.00 0.00 57.88 58.26 1nqz h LEU 127 Cb 1.00 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.60 1nqz h LEU 127 CO -0.04 0.64 0.32 0.44 0.09 0.00 0.00 178.44 179.88 1nqz h ASP 128 N 0.49 0.13 -0.35 -0.43 3.45 -1.40 -2.85 116.42 115.46 1nqz h ASP 128 Ca 0.09 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.56 1nqz h ASP 128 Cb 0.46 -0.02 0.00 0.00 -0.56 0.00 0.00 39.33 39.21 1nqz h ASP 128 CO 0.03 0.08 0.00 0.35 -1.57 0.00 0.00 179.24 178.13 1nqz n THR 129 N -4.44 1.39 -1.99 0.35 -2.24 -1.22 -5.00 114.28 101.14 1nqz n THR 129 Ca 0.07 -1.25 -0.35 0.00 -2.27 0.00 0.00 64.05 60.25 1nqz n THR 129 Cb 0.42 0.28 0.03 0.00 -2.10 0.00 0.00 70.33 68.96 1nqz n THR 129 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1nqz s LEU 130 N -1.54 3.63 -0.12 3.22 1.43 -1.08 -5.01 118.68 119.21 1nqz s LEU 130 Ca 0.30 2.32 -0.01 0.00 -1.03 0.00 0.00 54.13 55.71 1nqz s LEU 130 Cb 0.19 -4.59 0.03 0.00 0.03 0.00 0.00 46.19 41.86 1nqz s LEU 130 CO 0.15 -1.59 -0.03 -0.60 0.23 0.00 0.00 176.35 174.51 1nqz s ARG 131 N -3.43 1.06 0.34 1.70 3.52 -0.05 -5.01 118.95 117.08 1nqz s ARG 131 Ca 0.76 -0.20 -0.29 0.00 -0.13 0.00 0.00 55.73 55.87 1nqz s ARG 131 Cb -0.28 -1.53 -0.11 0.00 -1.56 0.00 0.00 34.95 31.47 1nqz s ARG 131 CO 0.34 -0.37 1.43 0.08 -0.81 0.00 0.00 175.30 175.97 1nqz s VAL 132 N 1.81 2.34 0.41 7.11 1.01 -1.26 -3.61 120.40 128.21 1nqz s VAL 132 Ca 0.03 0.33 0.08 0.00 0.00 0.00 0.00 61.98 62.42 1nqz s VAL 132 Cb -0.14 -3.21 -0.01 0.00 0.00 0.00 0.00 36.38 33.02 1nqz s VAL 132 CO -0.07 0.07 0.43 0.42 0.00 0.00 0.00 175.10 175.96 1nqz s THR 133 N -0.88 2.86 0.39 3.92 -4.23 -0.70 -4.99 115.64 112.02 1nqz s THR 133 Ca 0.53 -1.23 0.19 0.00 -1.18 0.00 0.00 61.69 60.01 1nqz s THR 133 Cb -0.44 -3.02 0.40 0.00 1.34 0.00 0.00 72.50 70.77 1nqz s THR 133 CO 0.56 -0.02 1.72 -0.65 -0.54 0.00 0.00 174.62 175.70 1nqz h PRO 134 N 0.92 0.33 0.00 3.99 0.11 -1.94 -0.94 132.00 134.47 1nqz h PRO 134 Ca -0.41 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1nqz h PRO 134 Cb 1.27 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1nqz h PRO 134 CO 0.53 0.22 0.00 -0.85 -0.21 0.00 0.00 178.00 177.69 1nqz n GLU 135 N -4.71 0.14 -4.46 1.05 0.28 -1.26 -4.62 120.64 107.06 1nqz n GLU 135 Ca 0.29 0.32 -0.33 0.00 -0.16 0.00 0.00 57.16 57.27 1nqz n GLU 135 Cb 0.99 -1.74 -0.15 0.00 1.43 0.00 0.00 31.44 31.97 1nqz n GLU 135 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1nqz s VAL 136 N -3.18 2.81 0.00 3.84 1.01 -0.36 -2.35 120.40 122.18 1nqz s VAL 136 Ca 0.07 -0.72 -0.15 0.00 0.00 0.00 0.00 61.98 61.18 1nqz s VAL 136 Cb 0.10 -2.20 -0.34 0.00 0.00 0.00 0.00 36.38 33.94 1nqz s VAL 136 CO 0.40 0.50 0.90 0.00 0.00 0.00 0.00 175.10 176.90 1nqz h ALA 137 N 7.34 -0.08 -2.92 5.51 0.00 -0.84 -3.39 119.26 124.88 1nqz h ALA 137 Ca -0.33 -0.93 -0.01 0.00 0.00 0.00 0.00 54.91 53.63 1nqz h ALA 137 Cb 1.19 0.25 -0.11 0.00 0.00 0.00 0.00 17.79 19.12 1nqz h ALA 137 CO 0.58 0.76 0.11 1.14 0.00 0.00 0.00 179.25 181.83 1nqz s GLN 138 N -2.58 1.34 -0.17 0.00 -2.07 -1.11 -5.01 119.66 110.07 1nqz s GLN 138 Ca -0.11 -0.71 -0.04 0.00 -1.82 0.00 0.00 55.36 52.68 1nqz s GLN 138 Cb 0.04 0.55 -0.02 0.00 -1.09 0.00 0.00 33.01 32.49 1nqz s GLN 138 CO 0.92 -0.58 -0.03 0.42 -1.32 0.00 0.00 175.29 174.70 1nqz s ILE 139 N -3.82 3.84 0.03 3.63 1.01 -1.26 -1.49 121.20 123.13 1nqz s ILE 139 Ca 0.05 -0.37 0.08 0.00 0.00 0.00 0.00 60.65 60.42 1nqz s ILE 139 Cb -0.01 -2.70 -0.03 0.00 0.01 0.00 0.00 42.46 39.74 1nqz s ILE 139 CO -0.07 0.47 -0.25 0.27 0.00 0.00 0.00 174.94 175.37 1nqz s ILE 140 N 0.58 2.00 -0.53 2.92 -4.36 -0.24 -4.99 121.20 116.58 1nqz s ILE 140 Ca -0.03 -1.26 0.05 0.00 -0.26 0.00 0.00 60.65 59.15 1nqz s ILE 140 Cb -0.14 -1.70 0.18 0.00 1.25 0.00 0.00 42.46 42.05 1nqz s ILE 140 CO 0.02 0.39 0.43 0.35 0.24 0.00 0.00 174.94 176.37 1nqz n THR 141 N 1.98 0.01 -1.95 8.37 -2.24 -1.26 -1.06 114.28 118.13 1nqz n THR 141 Ca -0.17 -4.06 -0.38 0.00 -2.27 0.00 0.00 64.05 57.17 1nqz n THR 141 Cb 0.52 -1.88 0.03 0.00 -2.10 0.00 0.00 70.33 66.89 1nqz n THR 141 CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 1nqz s PRO 142 N -0.69 3.28 0.36 -0.78 0.02 -1.24 -4.57 135.00 131.38 1nqz s PRO 142 Ca 0.31 2.04 -0.11 0.00 0.02 0.00 0.00 61.00 63.26 1nqz s PRO 142 Cb 0.02 -2.25 -0.07 0.00 0.02 0.00 0.00 34.50 32.23 1nqz s PRO 142 CO -0.18 -1.02 0.72 -0.08 -0.33 0.00 0.00 177.00 176.12 1nqz s THR 143 N -1.41 4.80 0.29 0.99 -1.32 -1.26 -1.08 115.64 116.64 1nqz s THR 143 Ca 0.70 0.63 0.02 0.00 -1.21 0.00 0.00 61.69 61.84 1nqz s THR 143 Cb -0.36 -3.69 0.11 0.00 -1.51 0.00 0.00 72.50 67.05 1nqz s THR 143 CO 0.42 -0.37 1.78 -0.07 -2.21 0.00 0.00 174.62 174.17 1nqz h LEU 144 N 1.68 0.54 -0.45 9.08 3.38 -1.25 -1.85 115.31 126.44 1nqz h LEU 144 Ca -0.47 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.34 1nqz h LEU 144 Cb 1.18 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 1nqz h LEU 144 CO 0.65 0.70 0.25 0.00 0.09 0.00 0.00 178.44 180.12 1nqz h ALA 145 N 1.36 0.58 0.00 1.53 0.00 -1.93 -1.24 119.26 119.57 1nqz h ALA 145 Ca 0.09 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1nqz h ALA 145 Cb 0.51 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1nqz h ALA 145 CO 0.03 0.11 -0.00 0.93 0.00 0.00 0.00 179.25 180.32 1nqz h GLU 146 N 0.59 -0.00 -0.04 0.00 5.08 -1.87 -1.42 114.58 116.92 1nqz h GLU 146 Ca 0.16 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 1nqz h GLU 146 Cb 0.06 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 1nqz h GLU 146 CO -0.03 0.02 -0.02 -0.07 -1.00 0.00 0.00 179.01 177.91 1nqz h LEU 147 N -0.02 0.05 -0.56 1.33 3.38 -1.15 -0.13 115.31 118.21 1nqz h LEU 147 Ca -0.00 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 1nqz h LEU 147 Cb 0.02 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1nqz h LEU 147 CO 0.00 0.08 -0.40 0.03 0.09 0.00 0.00 178.44 178.23 1nqz h ARG 148 N 0.05 0.00 0.00 1.13 3.08 -0.77 -3.30 114.38 114.58 1nqz h ARG 148 Ca 0.01 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.98 1nqz h ARG 148 Cb 0.07 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 1nqz h ARG 148 CO 0.00 0.40 -1.31 0.00 -1.07 0.00 0.00 179.97 178.00 1nqz n ALA 149 N -2.25 2.27 -1.74 0.04 0.00 -0.22 -4.95 120.51 113.66 1nqz n ALA 149 Ca 0.01 -0.42 -0.37 0.00 0.00 0.00 0.00 53.44 52.66 1nqz n ALA 149 Cb 0.59 -0.99 0.06 0.00 0.00 0.00 0.00 19.45 19.12 1nqz n ALA 149 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1nqz s VAL 150 N -3.17 2.11 -1.13 0.00 1.01 -0.29 -4.84 120.40 114.10 1nqz s VAL 150 Ca -0.02 0.07 -0.22 0.00 0.00 0.00 0.00 61.98 61.80 1nqz s VAL 150 Cb 0.09 -3.03 -0.05 0.00 0.00 0.00 0.00 36.38 33.40 1nqz s VAL 150 CO 0.81 -0.01 1.88 -2.16 0.00 0.00 0.00 175.10 175.61 1nqz s PRO 151 N -3.35 2.80 0.27 2.72 0.04 -1.26 -4.93 135.00 131.29 1nqz s PRO 151 Ca 0.82 -1.10 -0.29 0.00 0.04 0.00 0.00 61.00 60.46 1nqz s PRO 151 Cb -0.37 -5.26 -0.14 0.00 0.04 0.00 0.00 34.50 28.78 1nqz s PRO 151 CO 0.39 -3.48 1.11 -0.11 0.04 0.00 0.00 177.00 174.95 1nqz n LEU 152 N 13.04 2.07 -4.59 -3.56 7.94 -1.26 -4.61 117.00 126.03 1nqz n LEU 152 Ca 0.44 1.17 -0.36 0.00 -1.11 0.00 0.00 56.01 56.15 1nqz n LEU 152 Cb 0.47 -1.31 -0.10 0.00 0.53 0.00 0.00 43.42 43.00 1nqz n LEU 152 CO 0.67 -1.18 -0.22 -0.69 -1.11 0.00 0.00 177.39 174.86 1nqz s VAL 153 N -0.78 4.97 -0.27 1.96 1.01 -0.21 -4.98 120.40 122.10 1nqz s VAL 153 Ca 0.62 0.05 0.02 0.00 0.00 0.00 0.00 61.98 62.67 1nqz s VAL 153 Cb -0.71 -3.31 0.07 0.00 0.00 0.00 0.00 36.38 32.43 1nqz s VAL 153 CO 0.58 0.36 -0.05 -0.13 0.00 0.00 0.00 175.10 175.85 1nqz s ARG 154 N 1.12 1.84 0.48 2.72 0.52 -1.26 -2.06 118.95 122.30 1nqz s ARG 154 Ca 0.06 -1.37 0.05 0.00 -0.52 0.00 0.00 55.73 53.95 1nqz s ARG 154 Cb -0.14 -2.85 -0.01 0.00 0.52 0.00 0.00 34.95 32.47 1nqz s ARG 154 CO 0.04 -0.68 0.21 -1.21 0.02 0.00 0.00 175.30 173.68 1nqz s GLU 155 N 1.15 2.23 -0.08 3.54 2.02 -0.42 -4.95 118.70 122.19 1nqz s GLU 155 Ca -0.03 -2.04 -0.08 0.00 0.02 0.00 0.00 54.97 52.84 1nqz s GLU 155 Cb -0.19 -1.91 0.02 0.00 0.10 0.00 0.00 34.13 32.15 1nqz s GLU 155 CO -0.07 -0.35 0.23 0.50 0.02 0.00 0.00 175.26 175.59 1nqz s ARG 156 N -4.02 0.28 0.17 1.61 3.52 -1.26 -0.26 118.95 118.98 1nqz s ARG 156 Ca 0.30 0.30 0.03 0.00 -0.13 0.00 0.00 55.73 56.23 1nqz s ARG 156 Cb 0.01 0.13 -0.05 0.00 -1.56 0.00 0.00 34.95 33.49 1nqz s ARG 156 CO 0.17 -0.04 -0.05 1.03 -0.81 0.00 0.00 175.30 175.60 1nqz s ARG 157 N 0.08 1.11 -0.04 5.12 0.52 -0.61 -4.95 118.95 120.19 1nqz s ARG 157 Ca -0.00 -1.51 0.05 0.00 -0.52 0.00 0.00 55.73 53.74 1nqz s ARG 157 Cb -0.02 -0.51 -0.03 0.00 0.52 0.00 0.00 34.95 34.92 1nqz s ARG 157 CO 0.00 -0.02 -0.17 0.99 0.02 0.00 0.00 175.30 176.13 1nqz s THR 158 N -3.44 2.84 0.63 0.02 2.01 -1.26 -0.13 115.64 116.30 1nqz s THR 158 Ca 0.20 -0.83 -0.05 0.00 0.31 0.00 0.00 61.69 61.32 1nqz s THR 158 Cb 0.04 -2.10 0.03 0.00 0.01 0.00 0.00 72.50 70.49 1nqz s THR 158 CO 0.03 0.57 0.93 -0.76 -0.69 0.00 0.00 174.62 174.70 1nqz s LEU 159 N -0.75 3.08 0.49 4.42 1.02 0.09 -4.92 118.68 122.10 1nqz s LEU 159 Ca 0.11 0.54 0.27 0.00 0.02 0.00 0.00 54.13 55.08 1nqz s LEU 159 Cb -0.10 -3.30 1.34 0.00 0.02 0.00 0.00 46.19 44.15 1nqz s LEU 159 CO 0.00 -1.28 1.83 -0.65 0.02 0.00 0.00 176.35 176.28 1nqz h PRO 160 N -0.31 0.16 0.00 1.29 0.11 -2.00 0.28 132.00 131.52 1nqz h PRO 160 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1nqz h PRO 160 Cb 1.28 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1nqz h PRO 160 CO 0.60 0.10 0.00 -0.40 -0.21 0.00 0.00 178.00 178.09 1nqz n ASP 161 N -4.37 0.00 0.00 -2.05 5.75 -1.26 -4.87 116.55 109.75 1nqz n ASP 161 Ca 0.22 -0.53 0.00 0.00 -0.01 0.00 0.00 54.79 54.47 1nqz n ASP 161 Cb 0.97 -0.15 0.00 0.00 -1.03 0.00 0.00 41.12 40.91 1nqz n ASP 161 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1nqz n GLY 162 N 1.08 0.65 3.68 6.12 0.00 0.97 -5.04 105.19 112.64 1nqz n GLY 162 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1nqz n GLY 162 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nqz s THR 163 N -2.35 3.98 0.45 2.61 2.01 -1.25 -4.71 115.64 116.37 1nqz s THR 163 Ca 0.00 1.29 -0.22 0.00 0.31 0.00 0.00 61.69 63.06 1nqz s THR 163 Cb 0.00 -3.83 -0.08 0.00 0.01 0.00 0.00 72.50 68.60 1nqz s THR 163 CO 0.00 -0.04 1.07 -1.61 -0.69 0.00 0.00 174.62 173.35 1nqz s GLU 164 N 2.82 3.91 -0.07 4.92 2.02 -1.26 -0.73 118.70 130.31 1nqz s GLU 164 Ca 0.61 1.52 -0.03 0.00 0.02 0.00 0.00 54.97 57.08 1nqz s GLU 164 Cb -0.27 -2.33 0.04 0.00 0.10 0.00 0.00 34.13 31.66 1nqz s GLU 164 CO 0.23 -0.36 0.16 0.08 0.02 0.00 0.00 175.26 175.39 1nqz s VAL 165 N -1.75 -0.05 0.24 2.63 1.01 0.81 -4.92 120.40 118.38 1nqz s VAL 165 Ca 0.63 0.17 -0.30 0.00 0.00 0.00 0.00 61.98 62.48 1nqz s VAL 165 Cb -0.22 -0.26 -0.09 0.00 0.00 0.00 0.00 36.38 35.81 1nqz s VAL 165 CO 0.26 0.07 0.99 -2.16 0.00 0.00 0.00 175.10 174.26 1nqz s PRO 166 N 1.13 4.79 -0.03 2.72 0.04 -1.26 -1.57 135.00 140.80 1nqz s PRO 166 Ca -0.09 1.57 0.07 0.00 0.04 0.00 0.00 61.00 62.59 1nqz s PRO 166 Cb -0.11 -3.27 -0.02 0.00 0.04 0.00 0.00 34.50 31.15 1nqz s PRO 166 CO -0.06 0.41 -0.23 -0.51 0.04 0.00 0.00 177.00 176.65 1nqz s LEU 167 N -1.12 2.22 0.21 -3.56 1.43 0.64 -4.91 118.68 113.59 1nqz s LEU 167 Ca 0.43 -0.41 0.09 0.00 -1.03 0.00 0.00 54.13 53.21 1nqz s LEU 167 Cb -0.27 -1.40 -0.05 0.00 0.03 0.00 0.00 46.19 44.50 1nqz s LEU 167 CO 0.34 0.31 -0.18 -0.31 0.23 0.00 0.00 176.35 176.75 1nqz s TYR 168 N -0.56 1.94 -0.18 0.29 1.51 -1.26 -1.30 117.35 117.79 1nqz s TYR 168 Ca 0.08 -0.46 -0.08 0.00 -1.01 0.00 0.00 57.07 55.60 1nqz s TYR 168 Cb -0.11 -0.90 0.07 0.00 -0.11 0.00 0.00 41.96 40.91 1nqz s TYR 168 CO 0.00 0.46 0.40 1.03 -1.11 0.00 0.00 175.55 176.33 1nqz s ARG 169 N -3.29 0.35 -0.36 -0.62 0.52 -0.87 -3.86 118.95 110.81 1nqz s ARG 169 Ca 0.22 0.87 -0.08 0.00 -0.52 0.00 0.00 55.73 56.22 1nqz s ARG 169 Cb -0.04 0.10 0.04 0.00 0.52 0.00 0.00 34.95 35.57 1nqz s ARG 169 CO 0.09 -0.20 0.16 0.71 0.02 0.00 0.00 175.30 176.09 1nqz s TYR 170 N 1.89 3.27 -0.82 -0.53 1.51 0.69 -1.04 117.35 122.32 1nqz s TYR 170 Ca -0.06 -1.30 -0.25 0.00 -1.01 0.00 0.00 57.07 54.44 1nqz s TYR 170 Cb -0.10 -2.45 0.04 0.00 -0.11 0.00 0.00 41.96 39.34 1nqz s TYR 170 CO -0.12 -0.73 1.30 -2.14 -1.11 0.00 0.00 175.55 172.75 1nqz s PRO 171 N 1.45 3.30 -0.23 -1.71 0.02 -1.26 -1.84 135.00 134.73 1nqz s PRO 171 Ca 0.00 -0.56 0.01 0.00 0.02 0.00 0.00 61.00 60.47 1nqz s PRO 171 Cb -0.20 -4.52 0.03 0.00 0.02 0.00 0.00 34.50 29.83 1nqz s PRO 171 CO 0.04 -2.13 -0.12 -0.46 -0.33 0.00 0.00 177.00 173.99 1nqz s TRP 172 N 5.34 3.03 -1.35 6.54 -0.00 -0.58 -4.66 118.94 127.26 1nqz s TRP 172 Ca 0.37 -1.81 -0.07 0.00 -0.00 0.00 0.00 56.10 54.59 1nqz s TRP 172 Cb -0.06 -1.98 0.05 0.00 -0.00 0.00 0.00 33.47 31.48 1nqz s TRP 172 CO 0.07 -0.80 0.50 0.54 -0.00 0.00 0.00 176.95 177.26 1nqz n ARG 173 N 4.58 -3.79 0.00 5.86 1.74 -1.26 -0.86 116.66 122.94 1nqz n ARG 173 Ca -0.17 0.61 0.00 0.00 -0.77 0.00 0.00 57.85 57.52 1nqz n ARG 173 Cb 0.47 -5.36 0.00 0.00 -1.02 0.00 0.00 32.46 26.55 1nqz n ARG 173 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1nqz n GLY 174 N -1.26 3.10 3.90 -0.13 0.00 -1.26 -5.04 105.19 104.50 1nqz n GLY 174 Ca -0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.69 1nqz n GLY 174 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nqz s LEU 175 N 0.00 3.81 -0.30 0.99 1.43 -0.04 -5.07 118.68 119.50 1nqz s LEU 175 Ca 0.00 0.87 0.03 0.00 -1.03 0.00 0.00 54.13 54.01 1nqz s LEU 175 Cb 0.00 -3.77 0.08 0.00 0.03 0.00 0.00 46.19 42.53 1nqz s LEU 175 CO 0.00 -0.42 -0.03 -0.62 0.23 0.00 0.00 176.35 175.51 1nqz s ASP 176 N -3.67 4.63 -0.32 2.29 2.15 -1.26 -1.52 116.67 118.96 1nqz s ASP 176 Ca 0.47 -1.76 -0.18 0.00 0.43 0.00 0.00 52.55 51.51 1nqz s ASP 176 Cb -0.10 -1.60 -0.01 0.00 -0.30 0.00 0.00 42.92 40.91 1nqz s ASP 176 CO 0.37 -0.29 0.50 -0.63 -0.17 0.00 0.00 175.17 174.96 1nqz s ILE 177 N 1.01 5.05 0.17 4.11 1.01 -0.77 -4.77 121.20 127.01 1nqz s ILE 177 Ca 0.01 0.51 0.04 0.00 0.00 0.00 0.00 60.65 61.21 1nqz s ILE 177 Cb -0.20 -3.90 -0.01 0.00 0.01 0.00 0.00 42.46 38.36 1nqz s ILE 177 CO -0.06 -0.10 0.14 -2.67 0.00 0.00 0.00 174.94 172.26 1nqz n TRP 178 N 5.65 -0.41 -4.28 3.97 4.27 -1.26 -0.23 117.44 125.14 1nqz n TRP 178 Ca -0.05 -1.42 0.00 0.00 -3.89 0.00 0.00 57.50 52.14 1nqz n TRP 178 Cb 0.49 0.15 0.00 0.00 -1.36 0.00 0.00 31.31 30.59 1nqz n TRP 178 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1nqz n GLY 179 N -0.32 2.93 0.24 -1.67 0.00 -1.25 -3.07 105.19 102.05 1nqz n GLY 179 Ca 0.04 -0.36 -0.03 0.00 0.00 0.00 0.00 46.02 45.67 1nqz n GLY 179 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1nqz h MET 180 N 0.00 0.62 -0.70 1.61 1.85 -1.90 -1.69 114.93 114.73 1nqz h MET 180 Ca 0.00 -0.04 0.02 0.00 -0.61 0.00 0.00 59.70 59.07 1nqz h MET 180 Cb 0.00 -0.14 -0.04 0.00 0.43 0.00 0.00 31.60 31.85 1nqz h MET 180 CO 0.00 0.41 0.45 1.15 -0.40 0.00 0.00 176.91 178.53 1nqz h THR 181 N 0.64 1.15 -0.19 -0.77 2.02 -1.87 -1.15 112.91 112.74 1nqz h THR 181 Ca 0.27 -0.31 -0.12 0.00 0.77 0.00 0.00 66.41 67.02 1nqz h THR 181 Cb 0.15 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 66.70 1nqz h THR 181 CO -0.16 0.17 -0.39 0.00 0.37 0.00 0.00 175.52 175.50 1nqz h ALA 182 N 1.27 0.97 -0.54 6.16 0.00 -1.39 -0.14 119.26 125.59 1nqz h ALA 182 Ca 0.27 -0.42 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 1nqz h ALA 182 Cb -0.06 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1nqz h ALA 182 CO -0.08 0.62 0.09 -0.09 0.00 0.00 0.00 179.25 179.79 1nqz h ARG 183 N 0.36 0.89 -0.27 0.00 9.65 -0.83 0.15 114.38 124.33 1nqz h ARG 183 Ca 0.03 -0.24 -0.07 0.00 -1.10 0.00 0.00 59.98 58.60 1nqz h ARG 183 Cb 0.85 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 29.32 1nqz h ARG 183 CO 0.07 0.87 -0.11 0.28 2.80 0.00 0.00 179.97 183.87 1nqz h VAL 184 N 0.78 1.29 -0.18 0.20 2.07 -1.03 -2.28 116.25 117.11 1nqz h VAL 184 Ca 0.16 -1.19 0.03 0.00 0.82 0.00 0.00 66.70 66.53 1nqz h VAL 184 Cb 0.41 1.49 -0.03 0.00 -1.52 0.00 0.00 31.29 31.64 1nqz h VAL 184 CO 0.01 0.37 -0.03 0.25 0.02 0.00 0.00 177.57 178.19 1nqz h LEU 185 N 0.30 -0.13 -1.11 2.57 5.85 -0.78 0.51 115.31 122.52 1nqz h LEU 185 Ca 0.06 0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.84 1nqz h LEU 185 Cb 0.62 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.70 1nqz h LEU 185 CO 0.04 -0.04 0.57 -0.74 -0.34 0.00 0.00 178.44 177.92 1nqz h HIS 186 N 0.02 1.12 -0.52 1.25 2.76 -0.65 0.92 115.15 120.06 1nqz h HIS 186 Ca 0.08 0.02 -0.10 0.00 -2.20 0.00 0.00 60.37 58.17 1nqz h HIS 186 Cb 0.12 -0.38 -0.02 0.00 1.55 0.00 0.00 27.41 28.69 1nqz h HIS 186 CO -0.19 0.72 -0.08 0.22 -1.30 0.00 0.00 177.93 177.30 1nqz h ASP 187 N 1.20 0.97 -0.59 3.26 -0.00 -0.87 -1.88 116.42 118.51 1nqz h ASP 187 Ca 0.32 -0.34 -0.00 0.00 -0.00 0.00 0.00 57.03 57.01 1nqz h ASP 187 Cb -0.12 -0.26 -0.03 0.00 -0.00 0.00 0.00 39.33 38.92 1nqz h ASP 187 CO -0.07 1.08 0.37 0.25 -0.00 0.00 0.00 179.24 180.87 1nqz h LEU 188 N 0.83 0.70 -1.50 2.28 5.85 0.00 -2.01 115.31 121.46 1nqz h LEU 188 Ca 0.14 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.81 1nqz h LEU 188 Cb 0.63 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.49 1nqz h LEU 188 CO 0.04 0.54 0.00 -0.07 -0.34 0.00 0.00 178.44 178.62 1nqz h LEU 189 N 0.80 0.00 -1.51 2.25 3.38 -0.58 -3.51 115.31 116.14 1nqz h LEU 189 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1nqz h LEU 189 Cb -0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1nqz h LEU 189 CO -0.04 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.87