#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1scq s PHE 3 N 0.00 3.06 0.12 0.00 0.08 -1.26 -4.76 117.98 115.22 1scq s PHE 3 Ca 0.00 0.05 -0.02 0.00 0.12 0.00 0.00 56.93 57.08 1scq s PHE 3 Cb 0.00 -1.63 -0.04 0.00 -0.57 0.00 0.00 43.02 40.79 1scq s PHE 3 CO 0.00 0.47 0.07 0.00 -0.10 0.00 0.00 175.22 175.66 1scq s ALA 4 N -1.18 0.70 -0.42 5.36 0.00 -1.26 -5.01 121.76 119.95 1scq s ALA 4 Ca 0.22 -1.35 -0.11 0.00 0.00 0.00 0.00 51.96 50.72 1scq s ALA 4 Cb -0.12 0.77 0.06 0.00 0.00 0.00 0.00 23.12 23.83 1scq s ALA 4 CO 0.14 -0.49 0.27 -1.58 0.00 0.00 0.00 175.76 174.10 1scq s HIS 5 N -4.02 3.29 -0.03 0.00 2.46 -1.25 -1.38 115.29 114.36 1scq s HIS 5 Ca 0.20 -1.25 -0.19 0.00 0.47 0.00 0.00 55.06 54.30 1scq s HIS 5 Cb 0.07 -2.84 -0.05 0.00 -0.13 0.00 0.00 32.58 29.63 1scq s HIS 5 CO -0.00 -0.78 0.52 -0.06 -2.47 0.00 0.00 174.74 171.95 1scq s PHE 6 N 1.50 3.66 -0.36 3.88 0.08 0.13 -0.88 117.98 125.99 1scq s PHE 6 Ca 0.03 1.08 0.01 0.00 0.12 0.00 0.00 56.93 58.17 1scq s PHE 6 Cb -0.22 -2.52 0.10 0.00 -0.57 0.00 0.00 43.02 39.81 1scq s PHE 6 CO 0.04 0.38 0.09 0.08 -0.10 0.00 0.00 175.22 175.71 1scq s VAL 7 N -0.21 2.65 -0.34 -0.44 1.01 -0.44 0.12 120.40 122.75 1scq s VAL 7 Ca 0.28 -2.18 -0.28 0.00 0.00 0.00 0.00 61.98 59.80 1scq s VAL 7 Cb -0.17 -2.87 0.02 0.00 0.00 0.00 0.00 36.38 33.36 1scq s VAL 7 CO 0.15 -0.59 1.02 -0.76 0.00 0.00 0.00 175.10 174.92 1scq s LEU 8 N 1.01 3.93 -0.26 3.92 1.43 0.68 -1.46 118.68 127.93 1scq s LEU 8 Ca 0.09 0.87 -0.08 0.00 -1.03 0.00 0.00 54.13 53.97 1scq s LEU 8 Cb -0.20 -3.44 -0.03 0.00 0.03 0.00 0.00 46.19 42.55 1scq s LEU 8 CO -0.06 -0.88 0.09 -0.63 0.23 0.00 0.00 176.35 175.10 1scq s ILE 9 N 3.62 4.42 0.72 -0.59 1.01 0.19 -3.27 121.20 127.30 1scq s ILE 9 Ca 0.43 -0.20 -0.11 0.00 0.00 0.00 0.00 60.65 60.77 1scq s ILE 9 Cb -0.12 -3.11 0.03 0.00 0.01 0.00 0.00 42.46 39.27 1scq s ILE 9 CO 0.17 0.28 1.09 -1.38 0.00 0.00 0.00 174.94 175.10 1scq s HIS 10 N 1.62 3.22 0.60 3.97 -3.43 -1.26 -2.14 115.29 117.87 1scq s HIS 10 Ca 0.06 0.91 0.00 0.00 -0.80 0.00 0.00 55.06 55.23 1scq s HIS 10 Cb -0.16 -3.14 0.06 0.00 -1.43 0.00 0.00 32.58 27.92 1scq s HIS 10 CO 0.05 -1.29 0.85 -0.08 -2.00 0.00 0.00 174.74 172.27 1scq s THR 11 N -3.36 2.50 0.88 -5.38 -1.32 -1.25 -4.42 115.64 103.29 1scq s THR 11 Ca 0.59 -0.62 -0.12 0.00 -1.21 0.00 0.00 61.69 60.33 1scq s THR 11 Cb -0.11 -2.89 0.09 0.00 -1.51 0.00 0.00 72.50 68.08 1scq s THR 11 CO 0.50 0.00 0.94 2.30 -2.21 0.00 0.00 174.62 176.15 1scq n ILE 12 N -2.51 0.71 -0.58 5.08 -5.35 -1.26 -2.51 119.36 112.94 1scq n ILE 12 Ca 0.10 -0.13 0.00 0.00 -0.27 0.00 0.00 62.75 62.44 1scq n ILE 12 Cb 0.60 -0.95 0.00 0.00 -1.74 0.00 0.00 39.64 37.55 1scq n ILE 12 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1scq n HIS 14 N -2.00 -0.54 -3.46 0.00 8.25 -1.04 -2.04 115.22 114.38 1scq n HIS 14 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1scq n HIS 14 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1scq n HIS 14 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1scq n GLY 15 N 5.00 3.15 0.21 -1.41 0.00 -1.26 -3.17 105.19 107.71 1scq n GLY 15 Ca 0.00 -1.34 0.06 0.00 0.00 0.00 0.00 46.02 44.74 1scq n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1scq h ALA 16 N 1.47 1.38 -0.39 4.61 0.00 -1.88 -3.11 119.26 121.33 1scq h ALA 16 Ca 0.00 -0.25 0.11 0.00 0.00 0.00 0.00 54.91 54.78 1scq h ALA 16 Cb 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1scq h ALA 16 CO 0.00 0.34 0.58 0.11 0.00 0.00 0.00 179.25 180.28 1scq h TRP 17 N 0.00 0.00 0.00 0.00 5.08 -1.94 0.14 115.95 119.23 1scq h TRP 17 Ca -0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 1scq h TRP 17 Cb 0.54 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.70 1scq h TRP 17 CO 0.00 0.00 0.00 1.51 -1.28 0.00 0.00 178.44 178.67 1scq n ILE 18 N -3.35 1.26 -0.37 0.12 0.13 -1.18 -1.32 119.36 114.66 1scq n ILE 18 Ca 0.07 0.32 0.07 0.00 -1.10 0.00 0.00 62.75 62.11 1scq n ILE 18 Cb 0.74 -1.14 0.21 0.00 -0.84 0.00 0.00 39.64 38.61 1scq n ILE 18 CO 0.00 0.00 0.00 0.79 2.80 0.00 0.00 176.55 180.14 1scq n TRP 19 N -1.48 0.71 0.24 9.51 7.02 0.48 -4.63 117.44 129.28 1scq n TRP 19 Ca 0.03 -0.57 0.18 0.00 -1.02 0.00 0.00 57.50 56.12 1scq n TRP 19 Cb 0.11 -0.09 0.86 0.00 -2.42 0.00 0.00 31.31 29.78 1scq n TRP 19 CO 0.00 0.00 0.00 1.12 -2.02 0.00 0.00 177.69 176.79 1scq h HIS 20 N 2.51 0.00 0.02 -5.99 2.07 -1.34 -0.88 115.15 111.55 1scq h HIS 20 Ca 0.00 0.00 -0.34 0.00 -2.85 0.00 0.00 60.37 57.18 1scq h HIS 20 Cb 0.95 0.00 -0.05 0.00 2.57 0.00 0.00 27.41 30.88 1scq h HIS 20 CO 0.36 0.00 -1.89 1.63 -3.07 0.00 0.00 177.93 174.96 1scq n LYS 21 N -3.42 0.62 -0.02 5.12 5.02 -1.26 -4.38 118.16 119.84 1scq n LYS 21 Ca 0.01 0.39 -0.11 0.00 -2.02 0.00 0.00 58.31 56.58 1scq n LYS 21 Cb 0.36 -1.64 -0.05 0.00 -0.02 0.00 0.00 35.03 33.68 1scq n LYS 21 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1scq h LEU 22 N -0.71 0.16 -0.26 -0.35 5.85 -1.63 -3.13 115.31 115.25 1scq h LEU 22 Ca -0.49 -0.10 0.03 0.00 0.84 0.00 0.00 57.88 58.16 1scq h LEU 22 Cb 1.59 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 42.52 1scq h LEU 22 CO -0.21 0.22 -0.38 0.50 -0.34 0.00 0.00 178.44 178.23 1scq h LYS 23 N 0.09 -0.28 -0.99 1.25 3.64 -1.40 -0.08 116.57 118.80 1scq h LYS 23 Ca 0.04 0.02 0.09 0.00 -1.27 0.00 0.00 60.65 59.54 1scq h LYS 23 Cb 0.10 0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 31.91 1scq h LYS 23 CO -0.01 -0.19 0.63 -1.00 -2.27 0.00 0.00 179.45 176.62 1scq h PRO 24 N -0.29 1.03 -0.73 1.90 0.13 -1.76 -1.89 132.00 130.38 1scq h PRO 24 Ca 0.05 -0.06 -0.02 0.00 -0.87 0.00 0.00 66.00 65.10 1scq h PRO 24 Cb 0.42 -0.23 -0.03 0.00 0.13 0.00 0.00 31.00 31.28 1scq h PRO 24 CO -0.40 0.68 0.38 1.25 -0.23 0.00 0.00 178.00 179.68 1scq h LEU 25 N 1.06 0.92 -0.96 1.56 5.85 -1.24 -0.76 115.31 121.74 1scq h LEU 25 Ca 0.46 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 59.06 1scq h LEU 25 Cb 0.34 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 1scq h LEU 25 CO -0.21 0.77 0.52 -0.07 -0.34 0.00 0.00 178.44 179.11 1scq h LEU 26 N 1.01 1.11 -0.68 2.25 3.38 -0.30 -1.89 115.31 120.18 1scq h LEU 26 Ca 0.25 -0.08 -0.13 0.00 0.09 0.00 0.00 57.88 58.02 1scq h LEU 26 Cb 0.07 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1scq h LEU 26 CO -0.04 0.87 -0.34 -0.33 0.09 0.00 0.00 178.44 178.69 1scq h GLU 27 N 1.26 0.63 0.00 1.13 5.08 -0.94 -1.26 114.58 120.49 1scq h GLU 27 Ca 0.32 -0.30 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1scq h GLU 27 Cb -0.02 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1scq h GLU 27 CO -0.06 0.89 0.06 0.00 -1.00 0.00 0.00 179.01 178.90 1scq n ALA 28 N -2.50 0.94 1.02 3.43 0.00 -0.33 0.15 120.51 123.21 1scq n ALA 28 Ca -0.01 0.11 0.11 0.00 0.00 0.00 0.00 53.44 53.64 1scq n ALA 28 Cb 0.49 -1.08 -0.02 0.00 0.00 0.00 0.00 19.45 18.84 1scq n ALA 28 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1scq n LEU 29 N -1.90 1.45 0.00 0.00 4.77 -0.50 -4.97 117.00 115.87 1scq n LEU 29 Ca -0.01 -0.58 0.00 0.00 -0.03 0.00 0.00 56.01 55.39 1scq n LEU 29 Cb 0.07 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1scq n LEU 29 CO 0.05 0.30 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 1scq n GLY 30 N 1.45 1.01 3.91 -0.72 0.00 0.41 -4.99 105.19 106.25 1scq n GLY 30 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 1scq n GLY 30 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1scq s HIS 31 N -2.00 3.47 -0.17 1.61 3.76 -1.08 -4.70 115.29 116.19 1scq s HIS 31 Ca 0.00 0.58 -0.17 0.00 -0.15 0.00 0.00 55.06 55.31 1scq s HIS 31 Cb 0.00 -2.04 -0.04 0.00 1.11 0.00 0.00 32.58 31.61 1scq s HIS 31 CO 0.00 0.26 0.46 0.21 -0.85 0.00 0.00 174.74 174.82 1scq s LYS 32 N -3.33 4.24 -0.10 1.40 2.47 -0.48 -4.17 119.74 119.78 1scq s LYS 32 Ca 0.43 0.35 0.02 0.00 -1.56 0.00 0.00 55.97 55.20 1scq s LYS 32 Cb -0.11 -3.50 0.02 0.00 -1.46 0.00 0.00 37.83 32.77 1scq s LYS 32 CO 0.28 0.01 -0.13 0.08 0.16 0.00 0.00 175.35 175.75 1scq s VAL 33 N 1.12 1.32 -0.15 4.02 1.01 -1.26 -0.70 120.40 125.76 1scq s VAL 33 Ca 0.23 -0.54 -0.00 0.00 0.00 0.00 0.00 61.98 61.66 1scq s VAL 33 Cb -0.15 -1.23 -0.01 0.00 0.00 0.00 0.00 36.38 34.99 1scq s VAL 33 CO 0.09 0.41 -0.13 -0.89 0.00 0.00 0.00 175.10 174.58 1scq s THR 34 N 1.00 2.95 -0.33 3.92 2.01 0.12 -4.97 115.64 120.34 1scq s THR 34 Ca -0.07 -0.68 0.02 0.00 0.31 0.00 0.00 61.69 61.26 1scq s THR 34 Cb -0.15 -2.25 0.09 0.00 0.01 0.00 0.00 72.50 70.20 1scq s THR 34 CO -0.01 0.51 0.05 0.00 -0.69 0.00 0.00 174.62 174.47 1scq s ALA 35 N 0.65 2.88 0.31 7.40 0.00 -1.26 -0.23 121.76 131.51 1scq s ALA 35 Ca -0.07 -2.29 -0.11 0.00 0.00 0.00 0.00 51.96 49.50 1scq s ALA 35 Cb -0.15 -1.99 -0.07 0.00 0.00 0.00 0.00 23.12 20.91 1scq s ALA 35 CO 0.02 -1.56 0.66 -0.51 0.00 0.00 0.00 175.76 174.37 1scq s LEU 36 N 1.04 4.04 -0.28 0.00 1.43 -1.20 -4.83 118.68 118.87 1scq s LEU 36 Ca 0.04 1.04 -0.09 0.00 -1.03 0.00 0.00 54.13 54.10 1scq s LEU 36 Cb -0.20 -3.85 -0.03 0.00 0.03 0.00 0.00 46.19 42.14 1scq s LEU 36 CO -0.06 -0.21 0.13 -1.81 0.23 0.00 0.00 176.35 174.63 1scq s ASP 37 N -2.66 5.49 0.80 2.29 1.01 -1.26 -4.10 116.67 118.24 1scq s ASP 37 Ca 0.50 -0.27 -0.12 0.00 0.71 0.00 0.00 52.55 53.37 1scq s ASP 37 Cb -0.11 -2.00 0.07 0.00 1.01 0.00 0.00 42.92 41.90 1scq s ASP 37 CO 0.24 -0.10 1.13 -0.76 0.21 0.00 0.00 175.17 175.90 1scq s LEU 38 N 1.65 2.52 0.26 1.23 1.43 -1.26 -4.74 118.68 119.77 1scq s LEU 38 Ca 0.06 1.02 -0.28 0.00 -1.03 0.00 0.00 54.13 53.90 1scq s LEU 38 Cb -0.16 -3.58 -0.15 0.00 0.03 0.00 0.00 46.19 42.33 1scq s LEU 38 CO 0.06 -1.90 0.78 0.00 0.23 0.00 0.00 176.35 175.52 1scq n ALA 39 N -3.35 -1.41 -2.77 4.21 0.00 -0.84 -1.36 120.51 114.99 1scq n ALA 39 Ca 0.07 0.40 -0.14 0.00 0.00 0.00 0.00 53.44 53.77 1scq n ALA 39 Cb 0.59 -1.84 -0.00 0.00 0.00 0.00 0.00 19.45 18.20 1scq n ALA 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1scq n ALA 40 N 0.09 -0.91 -2.64 0.00 0.00 -1.25 -4.94 120.51 110.86 1scq n ALA 40 Ca 0.13 0.08 -0.20 0.00 0.00 0.00 0.00 53.44 53.45 1scq n ALA 40 Cb 0.29 -1.79 -0.13 0.00 0.00 0.00 0.00 19.45 17.82 1scq n ALA 40 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1scq s SER 41 N -2.27 1.75 1.68 0.00 0.01 -0.46 -4.69 113.70 109.73 1scq s SER 41 Ca 0.14 -0.49 0.00 0.00 1.31 0.00 0.00 55.95 56.91 1scq s SER 41 Cb -0.07 -0.11 0.00 0.00 0.21 0.00 0.00 66.02 66.05 1scq s SER 41 CO 0.17 0.03 0.00 0.61 0.41 0.00 0.00 173.24 174.46 1scq n GLY 42 N 1.81 2.96 2.00 3.44 0.00 -1.19 -1.56 105.19 112.64 1scq n GLY 42 Ca -0.18 -0.24 -0.10 0.00 0.00 0.00 0.00 46.02 45.49 1scq n GLY 42 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1scq n VAL 43 N 0.00 2.86 -2.13 1.61 0.24 -1.26 -4.94 118.33 114.71 1scq n VAL 43 Ca 0.00 -1.58 -0.41 0.00 -2.04 0.00 0.00 64.34 60.31 1scq n VAL 43 Cb 0.00 -0.42 -0.03 0.00 -1.47 0.00 0.00 33.84 31.93 1scq n VAL 43 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1scq s ASP 44 N -0.96 6.79 0.39 -1.34 2.15 -0.60 -4.90 116.67 118.19 1scq s ASP 44 Ca 0.52 2.57 0.28 0.00 0.43 0.00 0.00 52.55 56.35 1scq s ASP 44 Cb 0.42 -2.63 1.20 0.00 -0.30 0.00 0.00 42.92 41.61 1scq s ASP 44 CO 0.12 -0.58 1.84 1.55 -0.17 0.00 0.00 175.17 177.94 1scq h PRO 45 N 4.64 0.00 -7.24 4.34 0.13 -1.92 -3.42 132.00 128.54 1scq h PRO 45 Ca -0.46 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.17 1scq h PRO 45 Cb 1.22 0.00 0.06 0.00 0.13 0.00 0.00 31.00 32.41 1scq h PRO 45 CO 0.74 0.00 0.38 1.03 -0.23 0.00 0.00 178.00 179.92 1scq s ARG 46 N -3.50 3.44 0.04 0.86 0.52 -1.26 -5.00 118.95 114.05 1scq s ARG 46 Ca 0.02 1.04 0.04 0.00 -0.52 0.00 0.00 55.73 56.31 1scq s ARG 46 Cb 0.09 -2.06 -0.04 0.00 0.52 0.00 0.00 34.95 33.47 1scq s ARG 46 CO 0.45 -0.70 -0.05 -0.65 0.02 0.00 0.00 175.30 174.37 1scq s GLN 47 N -4.38 2.51 0.37 3.54 -1.52 -1.26 -3.85 119.66 115.07 1scq s GLN 47 Ca 0.60 -0.79 0.16 0.00 -1.95 0.00 0.00 55.36 53.38 1scq s GLN 47 Cb -0.13 -2.50 1.04 0.00 -0.22 0.00 0.00 33.01 31.20 1scq s GLN 47 CO 0.41 0.57 1.75 0.97 -0.25 0.00 0.00 175.29 178.74 1scq h ILE 48 N 3.44 0.51 0.00 1.08 6.09 -1.85 0.11 117.51 126.90 1scq h ILE 48 Ca -0.48 -0.15 0.00 0.00 -1.37 0.00 0.00 64.86 62.85 1scq h ILE 48 Cb 1.17 0.03 0.00 0.00 0.47 0.00 0.00 36.82 38.49 1scq h ILE 48 CO 0.55 0.08 0.12 -0.33 -3.07 0.00 0.00 178.15 175.50 1scq h GLU 49 N 0.45 0.00 0.00 2.19 3.07 -1.97 0.13 114.58 118.45 1scq h GLU 49 Ca 0.62 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.48 1scq h GLU 49 Cb 1.45 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.36 1scq h GLU 49 CO -0.36 0.00 -0.24 0.93 -1.40 0.00 0.00 179.01 177.93 1scq h GLU 50 N 0.00 0.00 -5.89 2.33 5.08 -1.17 -3.46 114.58 111.47 1scq h GLU 50 Ca 0.00 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.77 1scq h GLU 50 Cb 0.23 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.42 1scq h GLU 50 CO 0.00 0.00 -0.18 0.42 -1.00 0.00 0.00 179.01 178.25 1scq s ILE 51 N -3.18 5.08 -0.43 3.13 -1.09 0.45 -4.99 121.20 120.17 1scq s ILE 51 Ca 0.07 0.88 0.04 0.00 -2.23 0.00 0.00 60.65 59.41 1scq s ILE 51 Cb 0.10 -3.76 0.05 0.00 -1.58 0.00 0.00 42.46 37.27 1scq s ILE 51 CO 0.67 0.48 0.74 0.61 -1.23 0.00 0.00 174.94 176.21 1scq n GLY 52 N 2.43 -0.05 3.68 6.18 0.00 -1.26 -4.92 105.19 111.25 1scq n GLY 52 Ca -0.11 -0.11 -0.03 0.00 0.00 0.00 0.00 46.02 45.76 1scq n GLY 52 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1scq s SER 53 N -0.50 -0.18 0.34 1.61 1.04 -1.26 -5.00 113.70 109.75 1scq s SER 53 Ca 0.05 -0.27 0.09 0.00 0.48 0.00 0.00 55.95 56.31 1scq s SER 53 Cb 0.03 0.39 0.63 0.00 0.10 0.00 0.00 66.02 67.17 1scq s SER 53 CO 0.05 -0.71 1.80 0.15 0.98 0.00 0.00 173.24 175.50 1scq h PHE 54 N 2.00 0.18 -0.46 5.02 3.04 -1.90 -0.87 116.94 123.96 1scq h PHE 54 Ca -0.24 -0.04 -0.06 0.00 3.98 0.00 0.00 57.97 61.61 1scq h PHE 54 Cb 1.22 -0.05 -0.02 0.00 2.56 0.00 0.00 35.95 39.67 1scq h PHE 54 CO 0.35 0.47 0.04 -0.44 -2.02 0.00 0.00 178.31 176.71 1scq h ASP 55 N 0.15 0.75 -0.26 0.41 5.19 -1.97 0.11 116.42 120.79 1scq h ASP 55 Ca 0.02 -0.28 -0.07 0.00 -0.62 0.00 0.00 57.03 56.08 1scq h ASP 55 Cb 0.65 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 39.95 1scq h ASP 55 CO 0.05 0.84 -0.11 -0.33 -3.12 0.00 0.00 179.24 176.57 1scq h GLU 56 N 0.63 0.54 -0.86 3.56 5.08 -1.89 -2.31 114.58 119.33 1scq h GLU 56 Ca 0.13 -0.23 0.16 0.00 -1.00 0.00 0.00 59.36 58.43 1scq h GLU 56 Cb 0.43 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.60 1scq h GLU 56 CO 0.01 0.78 0.56 -0.92 -1.00 0.00 0.00 179.01 178.44 1scq h TYR 57 N 0.27 0.65 0.00 4.33 3.20 -0.94 0.57 116.97 125.05 1scq h TYR 57 Ca 0.06 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.95 1scq h TYR 57 Cb 0.60 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.67 1scq h TYR 57 CO 0.06 0.22 0.00 0.43 -1.64 0.00 0.00 178.16 177.23 1scq n SER 58 N -4.53 0.00 -0.22 -2.11 7.64 0.35 -1.98 113.62 112.77 1scq n SER 58 Ca 0.17 -0.06 -0.06 0.00 1.01 0.00 0.00 58.87 59.93 1scq n SER 58 Cb 0.55 -0.30 -0.05 0.00 -1.01 0.00 0.00 64.21 63.40 1scq n SER 58 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1scq n GLU 59 N -1.30 -0.23 -0.28 1.43 0.00 0.19 -1.75 120.64 118.70 1scq n GLU 59 Ca 0.13 1.01 0.05 0.00 0.00 0.00 0.00 57.16 58.34 1scq n GLU 59 Cb 0.23 -1.48 0.14 0.00 0.00 0.00 0.00 31.44 30.33 1scq n GLU 59 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.13 175.78 1scq h PRO 60 N 0.00 0.03 -0.27 5.31 0.11 -1.83 0.34 132.00 135.69 1scq h PRO 60 Ca 0.08 -0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.21 1scq h PRO 60 Cb 0.22 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.29 1scq h PRO 60 CO -0.50 0.02 0.12 1.25 -0.21 0.00 0.00 178.00 178.69 1scq h LEU 61 N 0.03 0.17 -0.47 2.35 5.85 -1.67 0.43 115.31 122.00 1scq h LEU 61 Ca 0.42 0.02 0.05 0.00 0.84 0.00 0.00 57.88 59.20 1scq h LEU 61 Cb 0.70 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.68 1scq h LEU 61 CO -0.78 0.13 0.21 -0.07 -0.34 0.00 0.00 178.44 177.59 1scq h LEU 62 N 0.26 0.28 -0.81 2.25 3.38 -0.76 -1.18 115.31 118.73 1scq h LEU 62 Ca 0.11 0.04 -0.12 0.00 0.09 0.00 0.00 57.88 58.01 1scq h LEU 62 Cb 0.05 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1scq h LEU 62 CO -0.09 0.20 -0.36 0.74 0.09 0.00 0.00 178.44 179.01 1scq h THR 63 N 0.42 1.29 -0.37 0.22 2.02 -0.77 -0.79 112.91 114.93 1scq h THR 63 Ca 0.21 -1.48 -0.01 0.00 0.77 0.00 0.00 66.41 65.90 1scq h THR 63 Cb 0.16 1.53 -0.02 0.00 -1.74 0.00 0.00 68.15 68.08 1scq h THR 63 CO -0.17 0.46 0.19 0.15 0.37 0.00 0.00 175.52 176.52 1scq h PHE 64 N 0.39 0.52 -0.30 3.16 3.57 -0.26 -2.04 116.94 121.98 1scq h PHE 64 Ca 0.04 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 1scq h PHE 64 Cb 0.82 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.38 1scq h PHE 64 CO 0.03 0.42 0.13 -0.07 -2.23 0.00 0.00 178.31 176.59 1scq h LEU 65 N 0.46 0.41 -1.59 0.59 3.38 -0.99 -2.77 115.31 114.80 1scq h LEU 65 Ca 0.13 -0.15 0.16 0.00 0.09 0.00 0.00 57.88 58.11 1scq h LEU 65 Cb 0.08 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.68 1scq h LEU 65 CO -0.02 0.44 0.51 -0.08 0.09 0.00 0.00 178.44 179.39 1scq h GLU 66 N 0.34 0.38 0.00 1.13 4.57 -0.91 -0.04 114.58 120.05 1scq h GLU 66 Ca 0.10 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.26 1scq h GLU 66 Cb 0.16 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.66 1scq h GLU 66 CO -0.01 0.25 0.00 0.00 -1.18 0.00 0.00 179.01 178.07 1scq n ALA 67 N -2.53 2.40 -2.05 2.92 0.00 -0.79 -4.83 120.51 115.63 1scq n ALA 67 Ca 0.15 -0.12 -0.41 0.00 0.00 0.00 0.00 53.44 53.06 1scq n ALA 67 Cb 0.56 -1.48 -0.03 0.00 0.00 0.00 0.00 19.45 18.50 1scq n ALA 67 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1scq s LEU 68 N -2.81 4.43 0.40 0.00 1.43 -0.03 -4.99 118.68 117.11 1scq s LEU 68 Ca 0.21 2.30 -0.25 0.00 -1.03 0.00 0.00 54.13 55.36 1scq s LEU 68 Cb 0.20 -3.61 -0.09 0.00 0.03 0.00 0.00 46.19 42.72 1scq s LEU 68 CO 0.50 -0.45 1.13 -2.84 0.23 0.00 0.00 176.35 174.92 1scq s PRO 69 N -0.11 4.10 0.09 1.29 0.02 -1.26 -4.92 135.00 134.20 1scq s PRO 69 Ca 0.55 1.74 -0.36 0.00 0.02 0.00 0.00 61.00 62.95 1scq s PRO 69 Cb -0.34 -2.66 -0.18 0.00 0.02 0.00 0.00 34.50 31.34 1scq s PRO 69 CO 0.37 -0.25 1.03 -2.30 -0.33 0.00 0.00 177.00 175.52 1scq n PRO 70 N 0.07 0.41 0.00 5.54 -0.02 -1.26 -1.95 135.00 137.79 1scq n PRO 70 Ca 0.04 0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.67 1scq n PRO 70 Cb 0.47 -1.57 0.00 0.00 -0.02 0.00 0.00 33.50 32.38 1scq n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1scq n GLY 71 N 1.84 3.05 3.67 -1.23 0.00 -1.26 -5.05 105.19 106.22 1scq n GLY 71 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 1scq n GLY 71 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1scq s GLU 72 N -0.91 4.29 0.06 1.61 2.02 -0.82 -5.06 118.70 119.88 1scq s GLU 72 Ca 0.00 0.86 0.07 0.00 0.02 0.00 0.00 54.97 55.91 1scq s GLU 72 Cb 0.00 -3.55 -0.03 0.00 0.10 0.00 0.00 34.13 30.64 1scq s GLU 72 CO 0.00 -0.23 -0.15 0.15 0.02 0.00 0.00 175.26 175.05 1scq s LYS 73 N 1.84 2.12 0.34 1.61 1.02 -1.26 -4.75 119.74 120.67 1scq s LYS 73 Ca 0.35 -0.97 0.06 0.00 0.02 0.00 0.00 55.97 55.43 1scq s LYS 73 Cb -0.16 -2.25 -0.07 0.00 -0.52 0.00 0.00 37.83 34.83 1scq s LYS 73 CO 0.13 0.54 0.00 0.14 -0.92 0.00 0.00 175.35 175.24 1scq s VAL 74 N -1.02 1.65 -0.25 3.17 -7.23 0.17 -4.55 120.40 112.35 1scq s VAL 74 Ca 0.17 -2.05 -0.01 0.00 -1.81 0.00 0.00 61.98 58.28 1scq s VAL 74 Cb -0.11 -2.77 0.03 0.00 0.56 0.00 0.00 36.38 34.09 1scq s VAL 74 CO 0.08 -0.08 -0.07 -0.63 -0.31 0.00 0.00 175.10 174.09 1scq s ILE 75 N -2.98 2.80 0.04 -0.62 1.01 -0.06 -0.49 121.20 120.91 1scq s ILE 75 Ca 0.34 -1.06 -0.27 0.00 0.00 0.00 0.00 60.65 59.66 1scq s ILE 75 Cb 0.08 -2.43 -0.05 0.00 0.01 0.00 0.00 42.46 40.07 1scq s ILE 75 CO 0.16 0.19 0.84 -0.76 0.00 0.00 0.00 174.94 175.37 1scq s LEU 76 N 1.31 4.44 -0.25 2.97 1.43 -0.81 -1.33 118.68 126.44 1scq s LEU 76 Ca -0.00 1.54 0.01 0.00 -1.03 0.00 0.00 54.13 54.65 1scq s LEU 76 Cb -0.17 -3.35 0.07 0.00 0.03 0.00 0.00 46.19 42.76 1scq s LEU 76 CO -0.05 -0.06 -0.04 -0.69 0.23 0.00 0.00 176.35 175.75 1scq s VAL 77 N 0.19 1.55 0.09 -1.59 1.01 -0.53 0.27 120.40 121.38 1scq s VAL 77 Ca 0.42 -1.31 0.06 0.00 0.00 0.00 0.00 61.98 61.16 1scq s VAL 77 Cb -0.21 -1.85 -0.04 0.00 0.00 0.00 0.00 36.38 34.28 1scq s VAL 77 CO 0.25 -0.17 -0.09 -0.83 0.00 0.00 0.00 175.10 174.26 1scq s GLY 78 N 1.37 1.78 0.00 4.51 0.00 -0.63 0.57 107.32 114.93 1scq s GLY 78 Ca -0.04 -1.20 0.08 0.00 0.00 0.00 0.00 44.72 43.56 1scq s GLY 78 CO -0.07 -1.16 -0.24 -1.83 0.00 0.00 0.00 173.10 169.79 1scq s GLU 79 N -2.06 1.85 3.50 2.90 4.04 -0.91 -0.34 118.70 127.69 1scq s GLU 79 Ca 0.21 -0.93 0.00 0.00 0.04 0.00 0.00 54.97 54.29 1scq s GLU 79 Cb -0.11 -1.87 0.00 0.00 0.02 0.00 0.00 34.13 32.17 1scq s GLU 79 CO 0.13 0.50 0.00 0.45 -1.84 0.00 0.00 175.26 174.50 1scq n SER 80 N 2.25 0.00 -0.09 0.83 2.88 -0.90 -0.38 113.62 118.20 1scq n SER 80 Ca -0.16 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.52 1scq n SER 80 Cb 0.52 0.00 0.65 0.00 -0.75 0.00 0.00 64.21 64.63 1scq n SER 80 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1scq h GLY 82 N 4.97 0.00 1.89 0.00 0.00 -0.92 -2.35 103.07 106.66 1scq h GLY 82 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.34 1scq h GLY 82 CO 0.00 0.00 0.04 -1.33 0.00 0.00 0.00 176.54 175.25 1scq h GLY 83 N 0.00 0.00 1.31 4.60 0.00 -1.73 -1.63 103.07 105.61 1scq h GLY 83 Ca 0.06 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.24 1scq h GLY 83 CO -0.00 0.00 -0.42 1.41 0.00 0.00 0.00 176.54 177.53 1scq h LEU 84 N 0.00 0.81 -1.10 3.11 3.38 -1.64 -1.95 115.31 117.91 1scq h LEU 84 Ca 0.02 -0.38 -0.06 0.00 0.09 0.00 0.00 57.88 57.55 1scq h LEU 84 Cb 0.10 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1scq h LEU 84 CO -0.00 1.12 -0.06 0.78 0.09 0.00 0.00 178.44 180.37 1scq h ASN 85 N 0.61 0.54 -0.14 -0.43 -0.26 -1.44 -2.00 115.58 112.46 1scq h ASN 85 Ca 0.05 -0.13 -0.02 0.00 -0.56 0.00 0.00 56.30 55.64 1scq h ASN 85 Cb 0.97 -0.14 -0.01 0.00 -1.06 0.00 0.00 38.32 38.09 1scq h ASN 85 CO 0.09 0.65 0.03 0.40 -1.06 0.00 0.00 177.43 177.54 1scq h ILE 86 N 0.53 1.21 -0.75 2.81 2.04 -1.13 -1.91 117.51 120.31 1scq h ILE 86 Ca 0.10 -0.67 -0.02 0.00 1.00 0.00 0.00 64.86 65.27 1scq h ILE 86 Cb 0.43 1.39 -0.03 0.00 -0.74 0.00 0.00 36.82 37.87 1scq h ILE 86 CO 0.02 0.20 0.39 0.00 0.00 0.00 0.00 178.15 178.76 1scq h ALA 87 N 0.82 0.96 -0.81 1.87 0.00 -1.15 0.23 119.26 121.17 1scq h ALA 87 Ca 0.04 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1scq h ALA 87 Cb 0.28 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1scq h ALA 87 CO 0.00 0.49 0.50 0.82 0.00 0.00 0.00 179.25 181.06 1scq h ILE 88 N 1.04 1.23 -0.04 0.00 2.04 -1.27 -2.51 117.51 117.99 1scq h ILE 88 Ca 0.26 -0.48 -0.19 0.00 1.00 0.00 0.00 64.86 65.45 1scq h ILE 88 Cb 0.06 0.08 0.01 0.00 -0.74 0.00 0.00 36.82 36.23 1scq h ILE 88 CO -0.04 0.23 -0.70 0.00 0.00 0.00 0.00 178.15 177.65 1scq h ALA 89 N 1.27 0.14 -0.26 1.87 0.00 -0.88 -3.22 119.26 118.17 1scq h ALA 89 Ca 0.29 -0.59 0.08 0.00 0.00 0.00 0.00 54.91 54.69 1scq h ALA 89 Cb -0.05 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1scq h ALA 89 CO -0.06 0.47 0.25 0.00 0.00 0.00 0.00 179.25 179.92 1scq h ALA 90 N 0.40 1.99 -0.23 0.00 0.00 -0.37 0.34 119.26 121.39 1scq h ALA 90 Ca -0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1scq h ALA 90 Cb 1.37 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1scq h ALA 90 CO 0.14 -0.39 0.00 -0.25 0.00 0.00 0.00 179.25 178.75 1scq n ASP 91 N -3.94 1.89 0.00 0.00 9.92 -0.96 -2.94 116.55 120.51 1scq n ASP 91 Ca 0.04 -2.13 0.00 0.00 -0.53 0.00 0.00 54.79 52.16 1scq n ASP 91 Cb 0.40 -0.34 0.00 0.00 -0.64 0.00 0.00 41.12 40.54 1scq n ASP 91 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 1scq n LYS 92 N 0.23 2.57 -2.74 -1.24 4.81 0.97 -4.94 118.16 117.81 1scq n LYS 92 Ca 0.09 0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.51 1scq n LYS 92 Cb 0.37 -0.21 0.09 0.00 0.02 0.00 0.00 35.03 35.29 1scq n LYS 92 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1scq n TYR 93 N 0.00 -0.56 -0.01 5.64 4.01 0.14 -4.97 117.16 121.40 1scq n TYR 93 Ca 0.00 -1.94 0.02 0.00 -0.16 0.00 0.00 57.90 55.83 1scq n TYR 93 Cb 0.00 0.74 0.37 0.00 -0.31 0.00 0.00 39.34 40.14 1scq n TYR 93 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1scq h GLU 95 N 0.56 0.00 0.00 0.00 9.09 -1.93 -1.26 114.58 121.04 1scq h GLU 95 Ca 0.14 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.55 1scq h GLU 95 Cb 0.07 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.17 1scq h GLU 95 CO -0.02 0.00 -0.45 1.63 0.05 0.00 0.00 179.01 180.22 1scq n LYS 96 N -3.77 0.05 -3.54 1.06 5.02 -0.64 -4.82 118.16 111.52 1scq n LYS 96 Ca -0.02 0.02 -0.40 0.00 -2.02 0.00 0.00 58.31 55.88 1scq n LYS 96 Cb 0.13 -1.53 -0.11 0.00 -0.02 0.00 0.00 35.03 33.51 1scq n LYS 96 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1scq s ILE 97 N -3.03 5.27 0.20 -0.18 1.01 -0.48 -0.65 121.20 123.34 1scq s ILE 97 Ca 0.11 -0.20 0.02 0.00 0.00 0.00 0.00 60.65 60.58 1scq s ILE 97 Cb 0.17 -3.69 -0.08 0.00 0.01 0.00 0.00 42.46 38.86 1scq s ILE 97 CO 0.68 0.01 1.48 0.00 0.00 0.00 0.00 174.94 177.11 1scq h ALA 98 N 8.48 0.70 -1.49 9.38 0.00 -1.07 -3.47 119.26 131.79 1scq h ALA 98 Ca -0.32 -0.60 0.31 0.00 0.00 0.00 0.00 54.91 54.31 1scq h ALA 98 Cb 1.16 -0.08 -0.13 0.00 0.00 0.00 0.00 17.79 18.75 1scq h ALA 98 CO 0.63 0.77 0.81 0.00 0.00 0.00 0.00 179.25 181.46 1scq s ALA 99 N -3.62 -2.19 -0.06 0.00 0.00 -1.25 -4.40 121.76 110.25 1scq s ALA 99 Ca -0.04 0.78 -0.01 0.00 0.00 0.00 0.00 51.96 52.68 1scq s ALA 99 Cb 0.11 0.31 0.03 0.00 0.00 0.00 0.00 23.12 23.57 1scq s ALA 99 CO 0.82 -1.00 0.01 0.00 0.00 0.00 0.00 175.76 175.59 1scq s ALA 100 N -2.47 0.55 -0.17 0.00 0.00 -0.43 -1.93 121.76 117.31 1scq s ALA 100 Ca 0.13 -0.02 -0.09 0.00 0.00 0.00 0.00 51.96 51.99 1scq s ALA 100 Cb 0.04 -0.66 -0.05 0.00 0.00 0.00 0.00 23.12 22.45 1scq s ALA 100 CO -0.04 -0.41 0.13 0.08 0.00 0.00 0.00 175.76 175.52 1scq s VAL 101 N 1.90 5.43 -0.24 0.00 1.01 0.14 -0.85 120.40 127.78 1scq s VAL 101 Ca 0.03 0.19 -0.07 0.00 0.00 0.00 0.00 61.98 62.14 1scq s VAL 101 Cb -0.12 -3.44 -0.03 0.00 0.00 0.00 0.00 36.38 32.79 1scq s VAL 101 CO -0.04 0.50 0.05 -0.36 0.00 0.00 0.00 175.10 175.25 1scq s PHE 102 N -0.11 3.07 -0.56 5.22 0.40 0.14 -1.60 117.98 124.53 1scq s PHE 102 Ca 0.10 -0.47 -0.08 0.00 -0.60 0.00 0.00 56.93 55.88 1scq s PHE 102 Cb -0.11 -2.21 0.14 0.00 0.51 0.00 0.00 43.02 41.35 1scq s PHE 102 CO 0.00 -0.36 0.43 -1.58 0.70 0.00 0.00 175.22 174.41 1scq s HIS 103 N 1.53 3.48 -1.64 0.36 2.46 0.54 0.10 115.29 122.11 1scq s HIS 103 Ca 0.06 -2.09 -0.14 0.00 0.47 0.00 0.00 55.06 53.36 1scq s HIS 103 Cb -0.15 -3.48 0.12 0.00 -0.13 0.00 0.00 32.58 28.94 1scq s HIS 103 CO 0.03 -0.96 0.65 0.09 -2.47 0.00 0.00 174.74 172.08 1scq n ASN 104 N 4.44 -2.34 -4.84 9.88 3.02 0.42 -2.20 115.26 123.64 1scq n ASN 104 Ca -0.01 -1.04 -0.23 0.00 -0.03 0.00 0.00 54.58 53.28 1scq n ASN 104 Cb 0.41 -2.69 -0.04 0.00 -0.61 0.00 0.00 39.78 36.85 1scq n ASN 104 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1scq s SER 105 N -3.59 4.80 0.29 6.41 0.15 -1.26 -2.13 113.70 118.37 1scq s SER 105 Ca 0.54 -0.91 -0.28 0.00 0.70 0.00 0.00 55.95 56.00 1scq s SER 105 Cb -0.30 -0.41 -0.09 0.00 -1.71 0.00 0.00 66.02 63.50 1scq s SER 105 CO 0.93 -0.68 0.95 0.68 1.20 0.00 0.00 173.24 176.32 1scq s VAL 106 N -2.55 4.09 -0.65 4.45 -7.23 0.14 -4.83 120.40 113.81 1scq s VAL 106 Ca 0.44 1.91 0.02 0.00 -1.81 0.00 0.00 61.98 62.55 1scq s VAL 106 Cb -0.01 -4.14 0.16 0.00 0.56 0.00 0.00 36.38 32.95 1scq s VAL 106 CO 0.25 0.31 0.44 -0.22 -0.31 0.00 0.00 175.10 175.58 1scq s LEU 107 N -1.64 4.82 0.88 1.32 2.96 -1.26 -4.19 118.68 121.57 1scq s LEU 107 Ca 0.46 -3.34 -0.10 0.00 -0.22 0.00 0.00 54.13 50.92 1scq s LEU 107 Cb -0.23 -1.72 0.12 0.00 0.50 0.00 0.00 46.19 44.86 1scq s LEU 107 CO 0.29 -0.21 1.14 -2.84 -1.32 0.00 0.00 176.35 173.41 1scq s PRO 108 N -0.75 1.32 0.10 0.98 0.02 -1.26 -4.90 135.00 130.51 1scq s PRO 108 Ca 0.21 1.50 0.01 0.00 0.02 0.00 0.00 61.00 62.73 1scq s PRO 108 Cb -0.16 -1.77 -0.00 0.00 0.02 0.00 0.00 34.50 32.59 1scq s PRO 108 CO -0.07 -2.40 0.03 -0.40 -0.33 0.00 0.00 177.00 173.83 1scq n ASP 109 N -4.00 1.22 -0.00 2.53 5.68 -1.26 -5.04 116.55 115.68 1scq n ASP 109 Ca 0.11 -1.53 0.06 0.00 -0.50 0.00 0.00 54.79 52.93 1scq n ASP 109 Cb 0.52 0.22 -0.09 0.00 -1.14 0.00 0.00 41.12 40.64 1scq n ASP 109 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1scq n THR 110 N -0.24 0.00 0.33 2.12 -2.24 -1.26 -4.51 114.28 108.49 1scq n THR 110 Ca -0.02 -0.26 0.13 0.00 -2.27 0.00 0.00 64.05 61.62 1scq n THR 110 Cb 0.15 0.39 0.26 0.00 -2.10 0.00 0.00 70.33 69.03 1scq n THR 110 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1scq h GLU 111 N 0.00 0.00 -5.66 -0.78 4.39 -1.98 -3.43 114.58 107.11 1scq h GLU 111 Ca 0.00 0.00 -0.62 0.00 0.34 0.00 0.00 59.36 59.08 1scq h GLU 111 Cb 0.49 0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 29.02 1scq h GLU 111 CO 0.00 0.00 -0.57 -1.01 -1.16 0.00 0.00 179.01 176.27 1scq s HIS 112 N -3.21 2.45 0.79 4.33 3.76 -1.26 -5.13 115.29 117.02 1scq s HIS 112 Ca 0.08 -0.69 -0.12 0.00 -0.15 0.00 0.00 55.06 54.18 1scq s HIS 112 Cb 0.07 -1.80 0.07 0.00 1.11 0.00 0.00 32.58 32.04 1scq s HIS 112 CO 0.64 0.36 1.14 0.00 -0.85 0.00 0.00 174.74 176.03 1scq n PRO 114 N -3.39 0.08 -0.00 0.00 -0.02 -1.25 -1.70 135.00 128.71 1scq n PRO 114 Ca 0.11 0.56 0.10 0.00 -2.02 0.00 0.00 63.50 62.25 1scq n PRO 114 Cb 0.52 -1.82 -0.10 0.00 -0.02 0.00 0.00 33.50 32.08 1scq n PRO 114 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1scq n SER 115 N -1.92 0.87 -0.30 2.55 3.41 -1.25 -4.69 113.62 112.28 1scq n SER 115 Ca -0.01 -0.84 -0.06 0.00 -0.26 0.00 0.00 58.87 57.70 1scq n SER 115 Cb 0.08 1.03 -0.04 0.00 -0.26 0.00 0.00 64.21 65.01 1scq n SER 115 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1scq n TYR 116 N -1.58 -0.22 0.20 7.33 9.36 -0.69 0.04 117.16 131.60 1scq n TYR 116 Ca 0.03 0.92 0.08 0.00 3.32 0.00 0.00 57.90 62.26 1scq n TYR 116 Cb 0.35 -0.63 0.32 0.00 -0.63 0.00 0.00 39.34 38.76 1scq n TYR 116 CO 0.00 0.00 0.00 -0.39 0.22 0.00 0.00 176.86 176.69 1scq h VAL 117 N 0.00 0.58 -0.23 2.97 -1.51 -1.83 -2.33 116.25 113.90 1scq h VAL 117 Ca 0.16 -1.39 -0.15 0.00 -1.23 0.00 0.00 66.70 64.09 1scq h VAL 117 Cb 0.35 1.96 0.00 0.00 -2.13 0.00 0.00 31.29 31.47 1scq h VAL 117 CO -0.71 0.27 -0.46 0.58 -1.23 0.00 0.00 177.57 176.03 1scq h VAL 118 N 0.00 1.31 -0.62 7.19 2.07 -0.69 -1.75 116.25 123.76 1scq h VAL 118 Ca -0.00 -1.67 -0.05 0.00 0.82 0.00 0.00 66.70 65.80 1scq h VAL 118 Cb 0.94 1.79 -0.03 0.00 -1.52 0.00 0.00 31.29 32.47 1scq h VAL 118 CO 0.04 0.53 0.19 0.44 0.02 0.00 0.00 177.57 178.78 1scq h ASP 119 N 0.43 0.90 -0.19 0.57 3.32 -0.58 -2.35 116.42 118.51 1scq h ASP 119 Ca 0.01 -0.21 -0.06 0.00 0.02 0.00 0.00 57.03 56.79 1scq h ASP 119 Cb 1.06 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.36 1scq h ASP 119 CO 0.10 0.88 -0.06 0.50 -1.72 0.00 0.00 179.24 178.94 1scq h LYS 120 N 0.88 0.52 -0.43 3.56 1.63 -1.35 -2.53 116.57 118.85 1scq h LYS 120 Ca 0.20 -0.13 -0.04 0.00 -0.85 0.00 0.00 60.65 59.83 1scq h LYS 120 Cb 0.30 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 31.85 1scq h LYS 120 CO -0.01 0.59 0.09 1.25 -3.45 0.00 0.00 179.45 177.92 1scq h LEU 121 N 0.49 0.66 -2.55 5.20 5.85 -0.93 -2.22 115.31 121.82 1scq h LEU 121 Ca 0.10 -0.24 -0.00 0.00 0.84 0.00 0.00 57.88 58.57 1scq h LEU 121 Cb 0.40 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.26 1scq h LEU 121 CO 0.02 0.73 -0.02 0.24 -0.34 0.00 0.00 178.44 179.08 1scq h MET 122 N 0.57 0.00 0.02 1.25 2.86 -1.02 0.28 114.93 118.89 1scq h MET 122 Ca 0.13 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.60 1scq h MET 122 Cb 0.34 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.01 1scq h MET 122 CO 0.00 0.02 -0.69 0.93 1.06 0.00 0.00 176.91 178.23 1scq h GLU 123 N 0.00 0.43 0.05 1.72 5.08 -1.14 -2.97 114.58 117.75 1scq h GLU 123 Ca -0.00 -0.49 -0.24 0.00 -1.00 0.00 0.00 59.36 57.63 1scq h GLU 123 Cb 0.07 0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1scq h GLU 123 CO 0.00 1.15 -1.04 0.28 -1.00 0.00 0.00 179.01 178.40 1scq h VAL 124 N -0.07 1.44 -2.67 3.13 2.07 -0.93 -3.38 116.25 115.84 1scq h VAL 124 Ca -0.09 -2.68 -0.61 0.00 0.82 0.00 0.00 66.70 64.14 1scq h VAL 124 Cb 1.40 2.61 -0.41 0.00 -1.52 0.00 0.00 31.29 33.37 1scq h VAL 124 CO 0.13 0.79 -0.70 0.33 0.02 0.00 0.00 177.57 178.15 1scq n PHE 125 N -3.66 2.22 0.08 1.57 7.35 0.92 -4.95 117.46 120.98 1scq n PHE 125 Ca -0.07 -4.02 -0.09 0.00 -0.76 0.00 0.00 57.45 52.51 1scq n PHE 125 Cb 0.90 -0.41 -0.08 0.00 0.35 0.00 0.00 39.48 40.24 1scq n PHE 125 CO 0.00 0.00 0.00 -1.00 -0.76 0.00 0.00 176.76 175.00 1scq h PRO 126 N 5.07 0.11 -4.15 -7.13 0.13 -1.71 -3.41 132.00 120.91 1scq h PRO 126 Ca 0.18 -0.16 -0.76 0.00 -0.87 0.00 0.00 66.00 64.39 1scq h PRO 126 Cb 0.77 0.05 -0.24 0.00 0.13 0.00 0.00 31.00 31.72 1scq h PRO 126 CO 0.65 1.02 -0.05 0.34 -0.23 0.00 0.00 178.00 179.73 1scq s ASP 127 N -6.87 6.35 -0.05 1.44 2.15 -1.26 -4.90 116.67 113.53 1scq s ASP 127 Ca -0.01 -1.98 0.02 0.00 0.43 0.00 0.00 52.55 51.01 1scq s ASP 127 Cb 0.10 -2.23 0.16 0.00 -0.30 0.00 0.00 42.92 40.64 1scq s ASP 127 CO 0.83 -0.83 0.81 0.79 -0.17 0.00 0.00 175.17 176.60 1scq n TRP 128 N 5.13 0.44 0.00 -5.34 7.02 -1.26 -4.98 117.44 118.45 1scq n TRP 128 Ca -0.05 -0.24 0.00 0.00 -1.02 0.00 0.00 57.50 56.19 1scq n TRP 128 Cb 0.42 -0.21 0.00 0.00 -2.42 0.00 0.00 31.31 29.10 1scq n TRP 128 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 1scq n LYS 129 N 0.13 0.00 0.00 -0.99 5.02 -1.26 -2.35 118.16 118.71 1scq n LYS 129 Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 1scq n LYS 129 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.49 1scq n LYS 129 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1scq n ASP 130 N 5.09 0.20 -4.77 4.39 5.75 -1.26 -4.87 116.55 121.09 1scq n ASP 130 Ca 0.00 -1.77 -0.40 0.00 -0.01 0.00 0.00 54.79 52.62 1scq n ASP 130 Cb 0.00 -0.10 -0.03 0.00 -1.03 0.00 0.00 41.12 39.96 1scq n ASP 130 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1scq s THR 131 N -1.77 3.06 0.13 2.12 2.01 -0.99 -4.21 115.64 115.99 1scq s THR 131 Ca 0.00 1.00 0.09 0.00 0.31 0.00 0.00 61.69 63.08 1scq s THR 131 Cb 0.00 -3.61 -0.04 0.00 0.01 0.00 0.00 72.50 68.86 1scq s THR 131 CO 0.00 0.18 -0.17 0.42 -0.69 0.00 0.00 174.62 174.37 1scq s THR 132 N -1.25 2.91 0.38 -0.82 -4.23 -1.00 -4.86 115.64 106.77 1scq s THR 132 Ca 0.51 -1.52 0.06 0.00 -1.18 0.00 0.00 61.69 59.56 1scq s THR 132 Cb -0.34 -2.35 -0.07 0.00 1.34 0.00 0.00 72.50 71.07 1scq s THR 132 CO 0.45 0.07 0.03 -0.31 -0.54 0.00 0.00 174.62 174.31 1scq s TYR 133 N -1.23 2.31 0.32 3.99 2.02 -1.26 -1.17 117.35 122.34 1scq s TYR 133 Ca 0.19 -0.78 -0.18 0.00 -0.37 0.00 0.00 57.07 55.93 1scq s TYR 133 Cb -0.10 -1.60 0.05 0.00 -0.40 0.00 0.00 41.96 39.91 1scq s TYR 133 CO 0.11 0.29 0.81 -0.59 -1.57 0.00 0.00 175.55 174.60 1scq s PHE 134 N -2.92 0.02 0.01 2.71 -0.71 0.20 -4.96 117.98 112.33 1scq s PHE 134 Ca 0.35 -0.58 0.01 0.00 -1.04 0.00 0.00 56.93 55.67 1scq s PHE 134 Cb 0.09 0.78 -0.01 0.00 -1.21 0.00 0.00 43.02 42.67 1scq s PHE 134 CO 0.17 -1.37 -0.05 0.95 -1.34 0.00 0.00 175.22 173.59 1scq s THR 135 N -2.79 0.34 0.14 -4.49 -4.23 -1.26 0.29 115.64 103.65 1scq s THR 135 Ca 0.15 -0.55 -0.01 0.00 -1.18 0.00 0.00 61.69 60.10 1scq s THR 135 Cb -0.05 -0.36 -0.04 0.00 1.34 0.00 0.00 72.50 73.39 1scq s THR 135 CO 0.09 -0.14 0.07 -0.72 -0.54 0.00 0.00 174.62 173.37 1scq s TYR 136 N -0.68 0.93 -0.05 3.99 1.13 -0.77 -4.96 117.35 116.95 1scq s TYR 136 Ca -0.05 -1.25 0.04 0.00 -1.41 0.00 0.00 57.07 54.41 1scq s TYR 136 Cb -0.05 -0.51 -0.02 0.00 -1.10 0.00 0.00 41.96 40.28 1scq s TYR 136 CO -0.00 -0.53 -0.17 0.99 -2.51 0.00 0.00 175.55 173.33 1scq s THR 137 N -4.05 2.84 -0.14 -3.49 2.01 -1.26 -0.81 115.64 110.73 1scq s THR 137 Ca 0.27 -0.81 -0.07 0.00 0.31 0.00 0.00 61.69 61.39 1scq s THR 137 Cb 0.07 -2.09 0.06 0.00 0.01 0.00 0.00 72.50 70.55 1scq s THR 137 CO 0.04 0.59 0.33 -0.75 -0.69 0.00 0.00 174.62 174.14 1scq s LYS 138 N -0.67 0.29 -1.46 4.92 2.47 -0.36 -4.91 119.74 120.02 1scq s LYS 138 Ca 0.10 0.70 -0.06 0.00 -1.56 0.00 0.00 55.97 55.15 1scq s LYS 138 Cb -0.11 -0.04 0.05 0.00 -1.46 0.00 0.00 37.83 36.27 1scq s LYS 138 CO 0.00 -0.18 0.69 -0.25 0.16 0.00 0.00 175.35 175.77 1scq n ASP 139 N 4.42 -2.08 0.00 1.43 8.00 -1.26 -1.14 116.55 125.92 1scq n ASP 139 Ca -0.22 -0.90 0.00 0.00 0.71 0.00 0.00 54.79 54.38 1scq n ASP 139 Cb 0.53 -3.48 0.00 0.00 -0.02 0.00 0.00 41.12 38.16 1scq n ASP 139 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1scq n GLY 140 N -1.72 0.19 3.48 0.44 0.00 -1.26 -4.99 105.19 101.34 1scq n GLY 140 Ca -0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.54 1scq n GLY 140 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1scq s LYS 141 N -1.24 2.23 -0.22 1.61 -0.14 -0.29 -5.10 119.74 116.60 1scq s LYS 141 Ca 0.00 -0.89 -0.16 0.00 -1.36 0.00 0.00 55.97 53.57 1scq s LYS 141 Cb 0.00 -2.28 -0.04 0.00 -1.68 0.00 0.00 37.83 33.84 1scq s LYS 141 CO 0.00 0.57 0.40 -2.00 -0.76 0.00 0.00 175.35 173.55 1scq s GLU 142 N -1.31 4.14 -0.08 1.68 2.12 -1.26 -1.23 118.70 122.75 1scq s GLU 142 Ca 0.15 0.18 0.02 0.00 0.36 0.00 0.00 54.97 55.67 1scq s GLU 142 Cb -0.11 -3.57 -0.02 0.00 0.26 0.00 0.00 34.13 30.69 1scq s GLU 142 CO 0.05 -0.10 -0.13 0.42 -0.54 0.00 0.00 175.26 174.95 1scq s ILE 143 N 1.52 3.11 -0.46 -3.70 1.01 0.01 -4.98 121.20 117.71 1scq s ILE 143 Ca 0.18 -0.68 -0.22 0.00 0.00 0.00 0.00 60.65 59.93 1scq s ILE 143 Cb -0.15 -2.25 0.03 0.00 0.01 0.00 0.00 42.46 40.10 1scq s ILE 143 CO 0.08 0.57 0.73 -0.89 0.00 0.00 0.00 174.94 175.44 1scq s THR 144 N -0.37 4.71 0.27 2.92 2.01 -1.26 -1.85 115.64 122.07 1scq s THR 144 Ca 0.04 0.24 -0.03 0.00 0.31 0.00 0.00 61.69 62.24 1scq s THR 144 Cb -0.12 -4.30 -0.05 0.00 0.01 0.00 0.00 72.50 68.04 1scq s THR 144 CO 0.02 -0.71 0.51 -0.83 -0.69 0.00 0.00 174.62 172.92 1scq s GLY 145 N 2.18 1.79 0.04 4.40 0.00 0.14 -4.42 107.32 111.45 1scq s GLY 145 Ca 0.26 -0.66 -0.04 0.00 0.00 0.00 0.00 44.72 44.28 1scq s GLY 145 CO 0.20 -0.58 0.06 0.48 0.00 0.00 0.00 173.10 173.27 1scq s LEU 146 N -3.57 1.95 -0.13 0.66 2.34 -0.11 -0.63 118.68 119.19 1scq s LEU 146 Ca 0.42 -0.59 -0.00 0.00 0.06 0.00 0.00 54.13 54.02 1scq s LEU 146 Cb -0.11 0.49 0.03 0.00 -0.56 0.00 0.00 46.19 46.04 1scq s LEU 146 CO 0.30 -0.49 -0.07 -0.75 -1.06 0.00 0.00 176.35 174.28 1scq s LYS 147 N -2.64 1.49 0.19 1.48 2.20 -0.32 -0.49 119.74 121.65 1scq s LYS 147 Ca -0.05 -0.35 -0.33 0.00 -0.36 0.00 0.00 55.97 54.88 1scq s LYS 147 Cb -0.01 -1.75 -0.13 0.00 -1.51 0.00 0.00 37.83 34.43 1scq s LYS 147 CO -0.05 -0.33 1.61 1.28 -0.36 0.00 0.00 175.35 177.50 1scq n LEU 148 N 4.92 3.42 -4.76 5.43 4.77 -1.26 -2.37 117.00 127.14 1scq n LEU 148 Ca -0.12 1.08 -0.41 0.00 -0.03 0.00 0.00 56.01 56.54 1scq n LEU 148 Cb 0.49 -1.48 -0.03 0.00 -2.33 0.00 0.00 43.42 40.07 1scq n LEU 148 CO 0.16 -0.14 0.91 -0.83 -1.33 0.00 0.00 177.39 176.16 1scq s GLY 149 N 0.92 2.97 0.26 -0.72 0.00 -1.26 -4.87 107.32 104.62 1scq s GLY 149 Ca 0.76 1.11 -0.03 0.00 0.00 0.00 0.00 44.72 46.56 1scq s GLY 149 CO 0.38 1.78 1.86 0.74 0.00 0.00 0.00 173.10 177.85 1scq h PHE 150 N 3.75 1.07 -0.41 1.90 0.04 -1.92 -1.10 116.94 120.27 1scq h PHE 150 Ca -0.48 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.29 1scq h PHE 150 Cb 1.22 -0.34 -0.02 0.00 2.20 0.00 0.00 35.95 39.01 1scq h PHE 150 CO 0.58 0.52 0.12 1.15 -0.60 0.00 0.00 178.31 180.08 1scq h THR 151 N 1.03 1.22 -0.68 -1.55 2.02 -1.93 -1.35 112.91 111.67 1scq h THR 151 Ca 0.41 -0.73 0.07 0.00 0.77 0.00 0.00 66.41 66.93 1scq h THR 151 Cb 0.23 0.93 -0.06 0.00 -1.74 0.00 0.00 68.15 67.51 1scq h THR 151 CO -0.19 0.26 0.36 0.25 0.37 0.00 0.00 175.52 176.57 1scq h LEU 152 N 0.52 0.52 0.51 2.58 5.85 -1.65 0.25 115.31 123.88 1scq h LEU 152 Ca 0.13 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 1scq h LEU 152 Cb 0.27 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.25 1scq h LEU 152 CO -0.00 0.32 -0.24 -0.07 -0.34 0.00 0.00 178.44 178.11 1scq h LEU 153 N 0.66 -0.58 -0.13 2.25 3.38 -1.01 0.20 115.31 120.09 1scq h LEU 153 Ca 0.32 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.33 1scq h LEU 153 Cb 0.25 0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 1scq h LEU 153 CO -0.21 -0.40 -0.07 -0.09 0.09 0.00 0.00 178.44 177.75 1scq h ARG 154 N -0.70 -0.07 0.22 1.13 9.65 -0.71 0.34 114.38 124.25 1scq h ARG 154 Ca -0.07 0.00 -0.31 0.00 -1.10 0.00 0.00 59.98 58.51 1scq h ARG 154 Cb 0.53 0.02 0.04 0.00 -1.39 0.00 0.00 29.97 29.16 1scq h ARG 154 CO 0.11 -0.05 -1.34 0.93 2.80 0.00 0.00 179.97 182.43 1scq h GLU 155 N -0.07 0.52 0.00 0.20 5.08 -0.50 -3.12 114.58 116.68 1scq h GLU 155 Ca 0.07 -0.85 -0.15 0.00 -1.00 0.00 0.00 59.36 57.43 1scq h GLU 155 Cb 0.18 0.31 -0.03 0.00 0.50 0.00 0.00 28.75 29.72 1scq h GLU 155 CO -0.17 1.40 -1.83 0.09 -1.00 0.00 0.00 179.01 177.51 1scq n ASN 156 N -3.80 1.65 -0.12 1.42 4.13 0.70 -4.34 115.26 114.89 1scq n ASN 156 Ca -0.16 0.00 -0.22 0.00 1.68 0.00 0.00 54.58 55.88 1scq n ASN 156 Cb 1.04 1.16 -0.08 0.00 -1.54 0.00 0.00 39.78 40.37 1scq n ASN 156 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1scq n LEU 157 N -2.31 1.94 -2.07 3.41 4.32 -0.89 -3.99 117.00 117.41 1scq n LEU 157 Ca -0.14 0.36 -0.16 0.00 -0.02 0.00 0.00 56.01 56.05 1scq n LEU 157 Cb 0.72 -0.82 0.22 0.00 -1.62 0.00 0.00 43.42 41.92 1scq n LEU 157 CO 0.30 0.27 1.14 -1.22 -1.22 0.00 0.00 177.39 176.66 1scq n TYR 158 N -4.34 2.65 -0.20 -1.77 4.02 0.11 -3.73 117.16 113.91 1scq n TYR 158 Ca -0.39 -1.50 -0.05 0.00 -0.01 0.00 0.00 57.90 55.94 1scq n TYR 158 Cb 0.74 -0.80 -0.05 0.00 -0.02 0.00 0.00 39.34 39.21 1scq n TYR 158 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 1scq n THR 159 N -0.65 -0.32 0.10 -0.72 -1.04 -1.18 -0.76 114.28 109.71 1scq n THR 159 Ca 0.49 1.49 0.10 0.00 -2.04 0.00 0.00 64.05 64.09 1scq n THR 159 Cb 1.49 -1.87 0.27 0.00 -1.82 0.00 0.00 70.33 68.40 1scq n THR 159 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1scq n LEU 160 N -4.15 3.26 -4.80 -4.42 4.77 -1.26 -4.96 117.00 105.44 1scq n LEU 160 Ca 0.01 -1.60 -0.35 0.00 -0.03 0.00 0.00 56.01 54.04 1scq n LEU 160 Cb 0.12 -0.39 -0.06 0.00 -2.33 0.00 0.00 43.42 40.77 1scq n LEU 160 CO -0.07 0.80 0.68 0.00 -1.33 0.00 0.00 177.39 177.46 1scq s GLY 162 N -1.93 2.13 0.52 0.00 0.00 -1.26 -4.78 107.32 102.01 1scq s GLY 162 Ca 0.60 0.67 0.22 0.00 0.00 0.00 0.00 44.72 46.21 1scq s GLY 162 CO 0.19 1.06 2.04 -0.56 0.00 0.00 0.00 173.10 175.83 1scq h PRO 163 N -0.48 0.02 0.00 2.90 0.13 -1.96 -0.32 132.00 132.29 1scq h PRO 163 Ca -0.46 -0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.59 1scq h PRO 163 Cb 1.27 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 1scq h PRO 163 CO 0.50 0.01 -0.34 1.05 -0.23 0.00 0.00 178.00 179.00 1scq h GLU 164 N 0.02 0.00 0.20 0.86 9.09 -2.00 -0.87 114.58 121.88 1scq h GLU 164 Ca 0.18 0.00 -0.35 0.00 0.05 0.00 0.00 59.36 59.24 1scq h GLU 164 Cb 0.69 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.81 1scq h GLU 164 CO -0.01 0.34 -1.70 0.93 0.05 0.00 0.00 179.01 178.62 1scq h GLU 165 N 0.00 0.41 -0.63 1.06 4.39 -1.44 -3.27 114.58 115.11 1scq h GLU 165 Ca -0.00 -0.71 -0.04 0.00 0.34 0.00 0.00 59.36 58.94 1scq h GLU 165 Cb 0.71 0.26 -0.03 0.00 -0.10 0.00 0.00 28.75 29.60 1scq h GLU 165 CO 0.04 1.33 0.22 -0.92 -1.16 0.00 0.00 179.01 178.52 1scq h TYR 166 N 0.11 0.96 -0.70 4.33 3.20 -1.25 -2.46 116.97 121.16 1scq h TYR 166 Ca -0.32 -0.07 0.06 0.00 3.14 0.00 0.00 58.73 61.54 1scq h TYR 166 Cb 2.11 -0.29 -0.06 0.00 1.54 0.00 0.00 36.73 40.04 1scq h TYR 166 CO 0.10 0.76 0.40 1.49 -1.64 0.00 0.00 178.16 179.27 1scq h GLU 167 N 0.92 0.70 -0.99 1.82 4.57 -1.25 -1.29 114.58 119.07 1scq h GLU 167 Ca 0.21 -0.04 0.09 0.00 -1.18 0.00 0.00 59.36 58.44 1scq h GLU 167 Cb 0.23 -0.16 -0.07 0.00 -0.16 0.00 0.00 28.75 28.59 1scq h GLU 167 CO -0.01 0.47 0.63 -0.07 -1.18 0.00 0.00 179.01 178.85 1scq h LEU 168 N 0.73 0.96 -0.61 1.64 3.38 -1.49 -1.94 115.31 117.99 1scq h LEU 168 Ca 0.32 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.26 1scq h LEU 168 Cb 0.20 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1scq h LEU 168 CO -0.19 0.57 0.17 0.00 0.09 0.00 0.00 178.44 179.07 1scq h ALA 169 N 1.51 0.80 0.00 1.53 0.00 -1.19 0.39 119.26 122.30 1scq h ALA 169 Ca 0.46 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 1scq h ALA 169 Cb 0.34 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1scq h ALA 169 CO -0.21 0.49 -0.13 0.87 0.00 0.00 0.00 179.25 180.27 1scq h LYS 170 N 0.88 0.00 0.00 0.00 1.57 -0.96 -1.40 116.57 116.65 1scq h LYS 170 Ca 0.19 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 1scq h LYS 170 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.64 1scq h LYS 170 CO -0.00 0.13 -1.56 -1.33 -0.57 0.00 0.00 179.45 176.12 1scq n MET 171 N -3.30 0.53 -0.02 3.15 2.81 -0.79 -4.68 117.12 114.82 1scq n MET 171 Ca 0.00 -0.09 -0.01 0.00 -1.81 0.00 0.00 57.70 55.79 1scq n MET 171 Cb 0.37 -1.59 -0.03 0.00 -0.71 0.00 0.00 33.22 31.25 1scq n MET 171 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1scq n LEU 172 N -2.22 0.00 -4.75 4.03 4.77 0.13 -5.02 117.00 113.95 1scq n LEU 172 Ca -0.02 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.55 1scq n LEU 172 Cb 0.52 0.09 -0.02 0.00 -2.33 0.00 0.00 43.42 41.68 1scq n LEU 172 CO 0.44 0.09 1.24 0.42 -1.33 0.00 0.00 177.39 178.24 1scq s THR 173 N -2.15 2.13 0.50 -5.08 -4.23 -0.54 -4.78 115.64 101.49 1scq s THR 173 Ca -0.02 0.11 0.02 0.00 -1.18 0.00 0.00 61.69 60.62 1scq s THR 173 Cb 0.02 -3.07 -0.02 0.00 1.34 0.00 0.00 72.50 70.77 1scq s THR 173 CO 0.18 0.02 0.04 -0.13 -0.54 0.00 0.00 174.62 174.18 1scq s ARG 174 N -0.35 2.17 0.47 3.99 0.52 -0.87 -4.99 118.95 119.89 1scq s ARG 174 Ca 0.64 -2.32 -0.24 0.00 -0.52 0.00 0.00 55.73 53.29 1scq s ARG 174 Cb -0.47 -1.60 -0.07 0.00 0.52 0.00 0.00 34.95 33.32 1scq s ARG 174 CO 0.46 -0.33 1.41 0.15 0.02 0.00 0.00 175.30 177.01 1scq s LYS 175 N -3.88 3.56 0.00 3.54 1.02 -1.26 -4.41 119.74 118.30 1scq s LYS 175 Ca 0.13 2.37 0.00 0.00 0.02 0.00 0.00 55.97 58.49 1scq s LYS 175 Cb 0.03 -2.56 0.00 0.00 -0.52 0.00 0.00 37.83 34.78 1scq s LYS 175 CO 0.07 -0.90 0.00 0.41 -0.92 0.00 0.00 175.35 174.01 1scq n GLY 176 N 0.61 4.00 3.57 -3.33 0.00 0.35 -4.68 105.19 105.73 1scq n GLY 176 Ca 0.06 -1.24 -0.12 0.00 0.00 0.00 0.00 46.02 44.73 1scq n GLY 176 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1scq s SER 177 N 0.67 -0.41 0.15 1.61 0.15 -1.26 -0.94 113.70 113.67 1scq s SER 177 Ca 0.00 0.46 0.20 0.00 0.70 0.00 0.00 55.95 57.31 1scq s SER 177 Cb 0.00 0.35 -0.05 0.00 -1.71 0.00 0.00 66.02 64.61 1scq s SER 177 CO 0.00 -0.38 0.98 -0.07 1.20 0.00 0.00 173.24 174.97 1scq h LEU 178 N 2.66 0.00 2.64 3.45 3.38 -1.99 -3.48 115.31 121.97 1scq h LEU 178 Ca -0.20 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.41 1scq h LEU 178 Cb 1.16 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.88 1scq h LEU 178 CO 0.32 0.27 -0.45 0.49 0.09 0.00 0.00 178.44 179.15 1scq n PHE 179 N -2.80 -1.01 -0.14 1.13 3.72 -1.26 -4.87 117.46 112.23 1scq n PHE 179 Ca -0.04 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.33 1scq n PHE 179 Cb 0.68 -3.56 0.05 0.00 -0.94 0.00 0.00 39.48 35.71 1scq n PHE 179 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 1scq h GLN 180 N 0.00 0.22 0.00 -1.08 4.15 -1.94 0.67 115.11 117.13 1scq h GLN 180 Ca -0.43 -0.01 -0.07 0.00 0.77 0.00 0.00 58.65 58.91 1scq h GLN 180 Cb 1.31 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.94 1scq h GLN 180 CO 0.52 0.15 -0.33 -2.95 -1.93 0.00 0.00 178.83 174.29 1scq h ASN 181 N 0.23 0.00 0.09 -0.69 -1.07 -1.94 -2.14 115.58 110.05 1scq h ASN 181 Ca 0.23 0.00 -0.26 0.00 0.07 0.00 0.00 56.30 56.34 1scq h ASN 181 Cb 0.29 0.00 0.02 0.00 -2.07 0.00 0.00 38.32 36.55 1scq h ASN 181 CO -0.29 0.33 -1.02 0.40 0.07 0.00 0.00 177.43 176.92 1scq h ILE 182 N 0.00 1.31 -0.56 6.14 1.08 -1.71 -3.20 117.51 120.57 1scq h ILE 182 Ca -0.00 -2.30 -0.01 0.00 -0.39 0.00 0.00 64.86 62.16 1scq h ILE 182 Cb 0.62 2.39 -0.03 0.00 -3.07 0.00 0.00 36.82 36.73 1scq h ILE 182 CO 0.04 0.70 0.31 -0.07 -0.69 0.00 0.00 178.15 178.45 1scq h LEU 183 N 0.35 0.67 -1.48 1.44 3.38 -0.55 -1.65 115.31 117.47 1scq h LEU 183 Ca -0.12 -0.04 0.04 0.00 0.09 0.00 0.00 57.88 57.85 1scq h LEU 183 Cb 1.67 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 42.21 1scq h LEU 183 CO 0.19 0.54 0.39 0.00 0.09 0.00 0.00 178.44 179.66 1scq h ALA 184 N 1.58 1.72 -0.01 1.53 0.00 -1.39 -2.28 119.26 120.41 1scq h ALA 184 Ca 0.20 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1scq h ALA 184 Cb 0.01 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1scq h ALA 184 CO -0.03 0.20 -0.42 1.63 0.00 0.00 0.00 179.25 180.62 1scq n LYS 185 N -4.47 1.09 -2.03 0.00 5.02 -0.77 -4.84 118.16 112.16 1scq n LYS 185 Ca 0.07 -0.84 -0.33 0.00 -2.02 0.00 0.00 58.31 55.19 1scq n LYS 185 Cb 0.16 -1.48 0.01 0.00 -0.02 0.00 0.00 35.03 33.70 1scq n LYS 185 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1scq s ARG 186 N -2.49 3.28 0.70 1.97 3.52 -0.70 -5.01 118.95 120.22 1scq s ARG 186 Ca 0.20 1.23 -0.16 0.00 -0.13 0.00 0.00 55.73 56.87 1scq s ARG 186 Cb 0.18 -2.03 0.02 0.00 -1.56 0.00 0.00 34.95 31.57 1scq s ARG 186 CO 0.56 -0.84 1.21 -2.14 -0.81 0.00 0.00 175.30 173.28 1scq s PRO 187 N -4.05 2.36 0.54 5.12 0.02 -1.26 -4.61 135.00 133.12 1scq s PRO 187 Ca 0.64 1.77 -0.20 0.00 0.02 0.00 0.00 61.00 63.23 1scq s PRO 187 Cb -0.16 -1.86 -0.06 0.00 0.02 0.00 0.00 34.50 32.44 1scq s PRO 187 CO 0.37 -1.67 1.14 -0.06 -0.33 0.00 0.00 177.00 176.45 1scq s PHE 188 N -1.90 2.66 0.34 6.54 0.40 -1.26 -4.64 117.98 120.12 1scq s PHE 188 Ca 0.75 1.54 -0.28 0.00 -0.60 0.00 0.00 56.93 58.34 1scq s PHE 188 Cb -0.29 -3.31 -0.10 0.00 0.51 0.00 0.00 43.02 39.84 1scq s PHE 188 CO 0.42 -1.61 1.22 -0.06 0.70 0.00 0.00 175.22 175.90 1scq s PHE 189 N -1.75 3.18 0.57 0.36 0.08 -1.26 -4.98 117.98 114.18 1scq s PHE 189 Ca 0.73 1.53 -0.15 0.00 0.12 0.00 0.00 56.93 59.15 1scq s PHE 189 Cb -0.24 -3.51 -0.05 0.00 -0.57 0.00 0.00 43.02 38.65 1scq s PHE 189 CO 0.28 -1.39 1.02 0.95 -0.10 0.00 0.00 175.22 175.98 1scq s THR 190 N -1.22 4.31 -0.09 0.64 -4.23 -1.26 -4.59 115.64 109.20 1scq s THR 190 Ca 0.50 1.02 0.14 0.00 -1.18 0.00 0.00 61.69 62.16 1scq s THR 190 Cb -0.35 -3.62 -0.04 0.00 1.34 0.00 0.00 72.50 69.83 1scq s THR 190 CO 0.46 -0.72 1.27 0.11 -0.54 0.00 0.00 174.62 175.20 1scq h LYS 191 N 0.45 0.00 -0.13 3.99 1.57 -1.93 -2.19 116.57 118.32 1scq h LYS 191 Ca -0.46 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.13 1scq h LYS 191 Cb 1.20 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.51 1scq h LYS 191 CO 0.60 0.56 -0.69 0.93 -0.57 0.00 0.00 179.45 180.29 1scq h GLU 192 N 0.00 0.56 0.00 3.15 3.07 -1.93 -2.48 114.58 116.94 1scq h GLU 192 Ca -0.04 -0.42 0.00 0.00 -0.50 0.00 0.00 59.36 58.39 1scq h GLU 192 Cb 1.52 0.08 0.00 0.00 -0.84 0.00 0.00 28.75 29.51 1scq h GLU 192 CO 0.08 1.05 0.00 0.41 -1.40 0.00 0.00 179.01 179.14 1scq n GLY 193 N 0.51 0.51 0.38 -3.84 0.00 -1.25 -4.11 105.19 97.39 1scq n GLY 193 Ca -0.05 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.13 1scq n GLY 193 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1scq h TYR 194 N 0.00 0.41 -0.11 1.61 3.20 -1.52 -1.93 116.97 118.62 1scq h TYR 194 Ca 0.00 0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.77 1scq h TYR 194 Cb 0.00 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.13 1scq h TYR 194 CO 0.00 0.16 -0.43 0.78 -1.64 0.00 0.00 178.16 177.03 1scq h GLY 195 N 0.36 0.29 2.00 1.82 0.00 -1.33 -3.22 103.07 102.98 1scq h GLY 195 Ca 0.34 -0.28 -0.03 0.00 0.00 0.00 0.00 47.33 47.36 1scq h GLY 195 CO -0.10 0.25 -0.16 1.48 0.00 0.00 0.00 176.54 178.02 1scq h SER 196 N 0.22 0.00 -3.81 0.19 4.64 -0.87 -3.46 113.55 110.46 1scq h SER 196 Ca 0.02 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.83 1scq h SER 196 Cb 0.85 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.97 1scq h SER 196 CO 0.07 0.16 0.51 0.27 -0.87 0.00 0.00 176.83 176.97 1scq s ILE 197 N -3.40 3.32 0.15 0.95 -4.36 -1.22 -4.98 121.20 111.66 1scq s ILE 197 Ca 0.03 1.32 -0.31 0.00 -0.26 0.00 0.00 60.65 61.43 1scq s ILE 197 Cb 0.08 -3.84 -0.10 0.00 1.25 0.00 0.00 42.46 39.85 1scq s ILE 197 CO 0.64 0.31 1.59 -0.54 0.24 0.00 0.00 174.94 177.19 1scq s LYS 198 N -1.49 4.21 -0.19 0.37 -0.14 -1.26 -4.93 119.74 116.32 1scq s LYS 198 Ca 0.46 2.36 0.01 0.00 -1.36 0.00 0.00 55.97 57.44 1scq s LYS 198 Cb -0.34 -3.24 0.02 0.00 -1.68 0.00 0.00 37.83 32.60 1scq s LYS 198 CO 0.44 -0.63 -0.18 0.15 -0.76 0.00 0.00 175.35 174.36 1scq s LYS 199 N 1.42 2.99 -0.24 1.68 1.02 -1.26 -1.31 119.74 124.05 1scq s LYS 199 Ca 0.71 -0.83 -0.05 0.00 0.02 0.00 0.00 55.97 55.81 1scq s LYS 199 Cb -0.43 -2.62 -0.01 0.00 -0.52 0.00 0.00 37.83 34.24 1scq s LYS 199 CO 0.31 -0.22 0.01 0.42 -0.92 0.00 0.00 175.35 174.95 1scq s ILE 200 N 1.30 3.78 -0.29 2.17 1.09 -0.03 -0.53 121.20 128.69 1scq s ILE 200 Ca 0.05 -0.40 -0.13 0.00 -1.10 0.00 0.00 60.65 59.07 1scq s ILE 200 Cb -0.13 -2.77 -0.04 0.00 -1.06 0.00 0.00 42.46 38.45 1scq s ILE 200 CO -0.12 0.35 0.26 -0.47 -0.10 0.00 0.00 174.94 174.86 1scq s TYR 201 N 1.53 3.23 -0.15 3.97 6.14 0.20 0.25 117.35 132.51 1scq s TYR 201 Ca 0.06 0.14 -0.01 0.00 0.64 0.00 0.00 57.07 57.90 1scq s TYR 201 Cb -0.15 -2.47 -0.01 0.00 0.42 0.00 0.00 41.96 39.75 1scq s TYR 201 CO -0.00 -0.23 -0.12 0.08 0.64 0.00 0.00 175.55 175.92 1scq s VAL 202 N 1.86 3.03 0.29 3.14 1.01 0.28 -0.63 120.40 129.38 1scq s VAL 202 Ca 0.09 -0.65 -0.15 0.00 0.00 0.00 0.00 61.98 61.27 1scq s VAL 202 Cb -0.16 -2.30 0.02 0.00 0.00 0.00 0.00 36.38 33.94 1scq s VAL 202 CO 0.11 0.50 0.62 -1.66 0.00 0.00 0.00 175.10 174.67 1scq s TRP 203 N 0.68 0.18 -0.01 5.22 1.48 -0.63 -0.44 118.94 125.43 1scq s TRP 203 Ca -0.06 -0.62 0.01 0.00 -1.06 0.00 0.00 56.10 54.37 1scq s TRP 203 Cb -0.15 0.47 0.01 0.00 -1.16 0.00 0.00 33.47 32.63 1scq s TRP 203 CO 0.02 -1.20 -0.02 -0.08 -4.06 0.00 0.00 176.95 171.61 1scq s THR 204 N -3.60 0.27 -1.73 0.66 -1.32 -1.26 -0.44 115.64 108.21 1scq s THR 204 Ca 0.18 -0.07 0.00 0.00 -1.21 0.00 0.00 61.69 60.58 1scq s THR 204 Cb -0.03 -0.28 0.00 0.00 -1.51 0.00 0.00 72.50 70.68 1scq s THR 204 CO 0.10 0.11 0.75 -0.90 -2.21 0.00 0.00 174.62 172.47 1scq n ASP 205 N 3.44 0.24 -0.92 8.08 5.68 -1.26 -2.75 116.55 129.07 1scq n ASP 205 Ca -0.18 -1.74 0.10 0.00 -0.50 0.00 0.00 54.79 52.46 1scq n ASP 205 Cb 0.55 -0.12 0.16 0.00 -1.14 0.00 0.00 41.12 40.57 1scq n ASP 205 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1scq n GLN 206 N -0.35 2.15 -2.04 0.11 1.13 -1.26 -4.75 117.38 112.37 1scq n GLN 206 Ca 0.00 -1.99 -0.43 0.00 -1.94 0.00 0.00 57.00 52.64 1scq n GLN 206 Cb 0.06 -1.41 -0.03 0.00 0.11 0.00 0.00 30.24 28.97 1scq n GLN 206 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1scq s ASP 207 N -1.36 6.35 0.00 1.08 -1.08 -1.11 -4.60 116.67 115.95 1scq s ASP 207 Ca 0.30 1.77 0.20 0.00 -0.52 0.00 0.00 52.55 54.30 1scq s ASP 207 Cb 0.18 -2.53 1.18 0.00 -1.46 0.00 0.00 42.92 40.29 1scq s ASP 207 CO 0.26 -1.26 1.67 -0.62 0.52 0.00 0.00 175.17 175.74 1scq n GLU 208 N 7.66 0.86 0.00 4.34 -0.58 -1.26 -3.73 120.64 127.94 1scq n GLU 208 Ca 0.19 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.93 1scq n GLU 208 Cb 0.45 -1.36 0.00 0.00 -0.57 0.00 0.00 31.44 29.96 1scq n GLU 208 CO 0.00 0.00 0.00 1.51 -0.48 0.00 0.00 177.13 178.16 1scq n ILE 209 N -0.86 0.00 -2.13 -3.67 3.06 -1.26 -4.81 119.36 109.70 1scq n ILE 209 Ca 0.15 0.00 -0.42 0.00 -2.50 0.00 0.00 62.75 59.98 1scq n ILE 209 Cb 0.07 -0.92 0.00 0.00 0.54 0.00 0.00 39.64 39.33 1scq n ILE 209 CO 0.00 0.00 0.00 0.49 -2.50 0.00 0.00 176.55 174.54 1scq n PHE 210 N -2.69 2.87 -1.36 9.51 3.01 -1.26 -4.79 117.46 122.75 1scq n PHE 210 Ca 0.00 -2.83 -0.37 0.00 1.01 0.00 0.00 57.45 55.26 1scq n PHE 210 Cb 0.23 -2.01 0.07 0.00 -0.01 0.00 0.00 39.48 37.75 1scq n PHE 210 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1scq n LEU 211 N 3.55 1.76 -0.27 4.37 4.77 -1.24 -4.58 117.00 125.36 1scq n LEU 211 Ca 0.49 0.66 0.07 0.00 -0.03 0.00 0.00 56.01 57.20 1scq n LEU 211 Cb 0.33 -1.27 0.20 0.00 -2.33 0.00 0.00 43.42 40.35 1scq n LEU 211 CO 0.80 -2.72 0.89 -0.65 -1.33 0.00 0.00 177.39 174.38 1scq h PRO 212 N -0.15 0.17 -0.93 3.23 0.11 -1.85 -0.25 132.00 132.33 1scq h PRO 212 Ca -0.46 -0.01 0.13 0.00 0.11 0.00 0.00 66.00 65.77 1scq h PRO 212 Cb 1.36 -0.04 -0.09 0.00 0.11 0.00 0.00 31.00 32.34 1scq h PRO 212 CO 0.45 0.11 0.55 1.49 -0.21 0.00 0.00 178.00 180.40 1scq h GLU 213 N 0.18 0.81 0.11 1.05 4.81 -1.98 0.57 114.58 120.13 1scq h GLU 213 Ca 0.45 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.63 1scq h GLU 213 Cb 0.83 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.03 1scq h GLU 213 CO -0.62 0.54 -0.05 0.35 -0.73 0.00 0.00 179.01 178.50 1scq h PHE 214 N 0.83 -0.13 -0.89 0.92 3.57 -1.41 -1.50 116.94 118.34 1scq h PHE 214 Ca 0.48 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.96 1scq h PHE 214 Cb 0.57 0.04 -0.04 0.00 2.79 0.00 0.00 35.95 39.31 1scq h PHE 214 CO -0.03 0.37 0.46 1.96 -2.23 0.00 0.00 178.31 178.83 1scq h GLN 215 N -0.76 1.25 -0.48 1.11 4.20 -1.03 0.13 115.11 119.54 1scq h GLN 215 Ca -0.01 -0.16 -0.11 0.00 0.06 0.00 0.00 58.65 58.42 1scq h GLN 215 Cb 0.56 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 28.09 1scq h GLN 215 CO 0.02 0.94 -0.16 -0.07 -0.67 0.00 0.00 178.83 178.89 1scq h LEU 216 N 1.25 0.93 -1.14 1.46 3.38 0.05 -2.23 115.31 119.01 1scq h LEU 216 Ca 0.31 -0.32 0.02 0.00 0.09 0.00 0.00 57.88 57.98 1scq h LEU 216 Cb 0.07 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.52 1scq h LEU 216 CO -0.04 1.08 0.58 -0.25 0.09 0.00 0.00 178.44 179.90 1scq h TRP 217 N 0.81 1.09 -0.29 1.13 7.01 -0.43 -2.17 115.95 123.09 1scq h TRP 217 Ca 0.12 0.03 -0.10 0.00 2.11 0.00 0.00 58.89 61.04 1scq h TRP 217 Cb 0.70 -0.37 -0.01 0.00 -2.10 0.00 0.00 29.16 27.38 1scq h TRP 217 CO 0.04 0.66 -0.25 1.96 -2.79 0.00 0.00 178.44 178.06 1scq h GLN 218 N 1.15 0.57 -0.20 2.65 4.20 -0.26 -1.74 115.11 121.47 1scq h GLN 218 Ca 0.34 -0.22 -0.17 0.00 0.06 0.00 0.00 58.65 58.66 1scq h GLN 218 Cb -0.05 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 27.70 1scq h GLN 218 CO -0.09 0.77 -0.57 0.82 -0.67 0.00 0.00 178.83 179.09 1scq h ILE 219 N 0.50 1.31 -0.20 2.54 2.04 -0.86 -2.31 117.51 120.54 1scq h ILE 219 Ca 0.07 -1.82 -0.19 0.00 1.00 0.00 0.00 64.86 63.93 1scq h ILE 219 Cb 0.70 1.77 -0.00 0.00 -0.74 0.00 0.00 36.82 38.55 1scq h ILE 219 CO 0.05 0.57 -0.62 -0.08 0.00 0.00 0.00 178.15 178.07 1scq h GLU 220 N 0.48 0.68 -0.60 2.37 4.57 -1.33 -3.03 114.58 117.72 1scq h GLU 220 Ca 0.00 -0.47 -0.07 0.00 -1.18 0.00 0.00 59.36 57.64 1scq h GLU 220 Cb 1.14 0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 29.78 1scq h GLU 220 CO 0.11 1.09 0.08 -0.97 -1.18 0.00 0.00 179.01 178.15 1scq h ASN 221 N 0.50 0.97 -2.78 1.04 -1.24 -1.27 -3.39 115.58 109.42 1scq h ASN 221 Ca -0.01 -0.27 -0.54 0.00 0.71 0.00 0.00 56.30 56.20 1scq h ASN 221 Cb 1.21 -0.26 -0.40 0.00 0.73 0.00 0.00 38.32 39.60 1scq h ASN 221 CO 0.12 0.99 -0.79 -0.47 -1.29 0.00 0.00 177.43 176.00 1scq s TYR 222 N -5.18 0.43 -0.27 0.67 5.04 -0.88 -5.08 117.35 112.08 1scq s TYR 222 Ca -0.12 -1.02 -0.28 0.00 -2.44 0.00 0.00 57.07 53.22 1scq s TYR 222 Cb 0.13 -0.93 -0.05 0.00 0.35 0.00 0.00 41.96 41.46 1scq s TYR 222 CO 0.84 -0.83 2.23 0.21 -1.34 0.00 0.00 175.55 176.66 1scq s LYS 223 N 1.94 2.96 0.80 4.97 2.20 -1.15 -4.51 119.74 126.95 1scq s LYS 223 Ca 0.10 1.90 -0.12 0.00 -0.36 0.00 0.00 55.97 57.49 1scq s LYS 223 Cb -0.17 -4.40 0.08 0.00 -1.51 0.00 0.00 37.83 31.82 1scq s LYS 223 CO -0.31 -2.30 1.13 -2.14 -0.36 0.00 0.00 175.35 171.38 1scq s PRO 224 N 6.64 1.89 0.24 4.03 0.02 -1.26 -4.94 135.00 141.62 1scq s PRO 224 Ca 0.99 1.43 0.09 0.00 0.02 0.00 0.00 61.00 63.54 1scq s PRO 224 Cb -0.30 -1.84 0.26 0.00 0.02 0.00 0.00 34.50 32.64 1scq s PRO 224 CO 0.33 -1.96 1.55 -0.44 -0.33 0.00 0.00 177.00 176.16 1scq h ASP 225 N -1.08 0.04 -3.33 2.53 3.32 -1.19 -3.44 116.42 113.27 1scq h ASP 225 Ca -0.45 -0.02 -0.09 0.00 0.02 0.00 0.00 57.03 56.49 1scq h ASP 225 Cb 1.26 -0.01 -0.25 0.00 0.22 0.00 0.00 39.33 40.55 1scq h ASP 225 CO 0.48 0.70 -0.23 -0.75 -1.72 0.00 0.00 179.24 177.73 1scq s LYS 226 N -3.49 0.47 -0.10 3.56 2.47 -1.17 -5.02 119.74 116.45 1scq s LYS 226 Ca -0.01 0.82 0.02 0.00 -1.56 0.00 0.00 55.97 55.23 1scq s LYS 226 Cb 0.12 0.06 -0.02 0.00 -1.46 0.00 0.00 37.83 36.53 1scq s LYS 226 CO 0.78 -0.14 -0.14 0.08 0.16 0.00 0.00 175.35 176.09 1scq s VAL 227 N 1.19 3.00 -0.13 4.02 1.01 -1.26 -0.63 120.40 127.61 1scq s VAL 227 Ca -0.08 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.20 1scq s VAL 227 Cb -0.07 -2.22 0.02 0.00 0.00 0.00 0.00 36.38 34.11 1scq s VAL 227 CO -0.11 0.55 -0.13 -0.31 0.00 0.00 0.00 175.10 175.10 1scq s TYR 228 N -0.06 1.92 -0.40 5.22 1.51 0.20 -4.97 117.35 120.77 1scq s TYR 228 Ca -0.03 -1.00 -0.08 0.00 -1.01 0.00 0.00 57.07 54.95 1scq s TYR 228 Cb -0.14 -1.44 0.07 0.00 -0.11 0.00 0.00 41.96 40.34 1scq s TYR 228 CO 0.04 -0.56 0.22 0.21 -1.11 0.00 0.00 175.55 174.35 1scq s LYS 229 N 1.37 2.59 0.25 -0.62 2.20 -1.26 -1.60 119.74 122.67 1scq s LYS 229 Ca 0.01 -1.39 -0.30 0.00 -0.36 0.00 0.00 55.97 53.93 1scq s LYS 229 Cb -0.13 -3.70 -0.09 0.00 -1.51 0.00 0.00 37.83 32.39 1scq s LYS 229 CO -0.07 -0.88 1.04 0.08 -0.36 0.00 0.00 175.35 175.15 1scq s VAL 230 N 1.42 3.77 -0.23 4.02 1.01 0.41 -4.99 120.40 125.80 1scq s VAL 230 Ca 0.02 1.74 -0.16 0.00 0.00 0.00 0.00 61.98 63.59 1scq s VAL 230 Cb -0.22 -4.11 -0.04 0.00 0.00 0.00 0.00 36.38 32.01 1scq s VAL 230 CO 0.02 0.40 0.42 -1.61 0.00 0.00 0.00 175.10 174.33 1scq s GLU 231 N -1.20 4.11 0.88 2.72 0.41 -1.26 -4.39 118.70 119.97 1scq s GLU 231 Ca 0.44 0.19 0.00 0.00 -0.41 0.00 0.00 54.97 55.18 1scq s GLU 231 Cb -0.29 -3.60 0.00 0.00 -1.78 0.00 0.00 34.13 28.46 1scq s GLU 231 CO 0.37 -0.18 0.00 0.41 -0.49 0.00 0.00 175.26 175.37 1scq n GLY 232 N 4.25 0.07 7.00 -1.39 0.00 -1.26 -5.07 105.19 108.79 1scq n GLY 232 Ca -0.07 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.36 1scq n GLY 232 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1scq n GLY 233 N 0.00 0.80 0.00 -0.02 0.00 -1.26 -4.54 105.19 100.17 1scq n GLY 233 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.17 1scq n GLY 233 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1scq n ASP 234 N -3.33 0.00 -0.28 1.61 5.68 -1.26 -4.71 116.55 114.26 1scq n ASP 234 Ca 0.00 0.00 -0.02 0.00 -0.50 0.00 0.00 54.79 54.27 1scq n ASP 234 Cb 0.00 0.00 0.16 0.00 -1.14 0.00 0.00 41.12 40.14 1scq n ASP 234 CO 0.00 0.00 0.00 -0.74 -1.33 0.00 0.00 177.20 175.13 1scq h HIS 235 N 0.00 1.10 -2.99 2.11 -0.00 -1.81 -3.27 115.15 110.29 1scq h HIS 235 Ca 0.00 -0.01 -0.80 0.00 -0.00 0.00 0.00 60.37 59.57 1scq h HIS 235 Cb 0.00 -0.36 -0.26 0.00 -0.00 0.00 0.00 27.41 26.79 1scq h HIS 235 CO 0.00 0.74 0.80 1.28 -0.00 0.00 0.00 177.93 180.75 1scq n LEU 236 N -4.37 6.01 0.23 0.26 4.77 -1.24 -4.76 117.00 117.91 1scq n LEU 236 Ca 0.09 -5.05 0.08 0.00 -0.03 0.00 0.00 56.01 51.10 1scq n LEU 236 Cb 0.07 -1.40 0.57 0.00 -2.33 0.00 0.00 43.42 40.33 1scq n LEU 236 CO 0.38 1.46 0.91 -0.07 -1.33 0.00 0.00 177.39 178.74 1scq h LEU 237 N 6.42 0.00 0.00 2.23 3.38 -1.95 -0.65 115.31 124.75 1scq h LEU 237 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1scq h LEU 237 Cb 0.73 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.48 1scq h LEU 237 CO 1.23 0.18 0.00 0.00 0.09 0.00 0.00 178.44 179.94 1scq n GLN 238 N -4.06 0.27 -0.03 1.13 0.00 -1.26 0.70 117.38 114.12 1scq n GLN 238 Ca -0.02 0.12 -0.06 0.00 0.00 0.00 0.00 57.00 57.03 1scq n GLN 238 Cb 0.26 -1.50 -0.03 0.00 0.00 0.00 0.00 30.24 28.97 1scq n GLN 238 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1scq n LEU 239 N -1.25 1.38 0.14 2.61 4.77 -0.65 -4.20 117.00 119.81 1scq n LEU 239 Ca 0.08 0.04 0.08 0.00 -0.03 0.00 0.00 56.01 56.19 1scq n LEU 239 Cb 0.12 -0.21 0.06 0.00 -2.33 0.00 0.00 43.42 41.05 1scq n LEU 239 CO 0.12 0.31 0.37 0.71 -1.33 0.00 0.00 177.39 177.57 1scq h THR 240 N -0.16 0.26 -0.23 -5.08 1.35 -1.09 -3.37 112.91 104.58 1scq h THR 240 Ca -0.17 -1.41 -0.22 0.00 -0.55 0.00 0.00 66.41 64.07 1scq h THR 240 Cb 1.18 1.96 -0.38 0.00 -1.73 0.00 0.00 68.15 69.18 1scq h THR 240 CO -0.08 0.15 -1.04 0.29 -0.25 0.00 0.00 175.52 174.59 1scq n LYS 241 N -2.98 1.03 -0.31 4.72 4.76 0.22 -4.85 118.16 120.75 1scq n LYS 241 Ca 0.01 -2.85 -0.11 0.00 -2.87 0.00 0.00 58.31 52.48 1scq n LYS 241 Cb 0.62 -0.92 -0.09 0.00 -1.84 0.00 0.00 35.03 32.81 1scq n LYS 241 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 1scq h THR 242 N 5.87 0.01 -0.58 -0.18 2.02 -1.51 -1.30 112.91 117.24 1scq h THR 242 Ca -0.15 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.14 1scq h THR 242 Cb 1.55 0.01 -0.11 0.00 -1.74 0.00 0.00 68.15 67.86 1scq h THR 242 CO 0.16 0.00 -0.28 0.50 0.37 0.00 0.00 175.52 176.28 1scq h LYS 243 N -0.15 -0.12 0.20 6.66 3.64 -1.93 -0.37 116.57 124.50 1scq h LYS 243 Ca 0.14 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.54 1scq h LYS 243 Cb 0.50 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.31 1scq h LYS 243 CO -0.81 -0.08 -0.30 0.93 -2.27 0.00 0.00 179.45 176.92 1scq h GLU 244 N -0.12 -0.55 -0.45 1.90 3.07 -1.66 -1.52 114.58 115.25 1scq h GLU 244 Ca 0.25 0.04 0.09 0.00 -0.50 0.00 0.00 59.36 59.24 1scq h GLU 244 Cb 0.53 0.13 -0.09 0.00 -0.84 0.00 0.00 28.75 28.47 1scq h GLU 244 CO -0.66 -0.37 -0.22 0.82 -1.40 0.00 0.00 179.01 177.19 1scq h ILE 245 N -0.57 0.37 -0.77 3.13 1.08 -0.58 0.18 117.51 120.36 1scq h ILE 245 Ca 0.01 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.58 1scq h ILE 245 Cb 0.57 0.37 -0.05 0.00 -3.07 0.00 0.00 36.82 34.63 1scq h ILE 245 CO -0.13 0.00 0.50 0.00 -0.69 0.00 0.00 178.15 177.84 1scq h ALA 246 N 1.16 1.82 -0.77 1.87 0.00 -0.82 0.15 119.26 122.67 1scq h ALA 246 Ca 0.21 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 1scq h ALA 246 Cb 0.46 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 1scq h ALA 246 CO -0.53 0.02 0.38 0.93 0.00 0.00 0.00 179.25 180.05 1scq h GLU 247 N 0.66 1.10 -0.23 0.00 5.08 0.38 -1.09 114.58 120.49 1scq h GLU 247 Ca 0.36 -0.16 -0.12 0.00 -1.00 0.00 0.00 59.36 58.44 1scq h GLU 247 Cb 0.49 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 1scq h GLU 247 CO -0.13 0.85 -0.34 0.82 -1.00 0.00 0.00 179.01 179.21 1scq h ILE 248 N 1.08 1.32 -0.30 3.13 2.04 -0.18 -2.47 117.51 122.14 1scq h ILE 248 Ca 0.27 -1.54 -0.01 0.00 1.00 0.00 0.00 64.86 64.57 1scq h ILE 248 Cb 0.10 1.76 -0.02 0.00 -0.74 0.00 0.00 36.82 37.93 1scq h ILE 248 CO -0.04 0.48 0.14 -0.07 0.00 0.00 0.00 178.15 178.66 1scq h LEU 249 N 0.33 0.36 -0.29 1.44 3.38 -0.53 -0.12 115.31 119.89 1scq h LEU 249 Ca 0.02 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1scq h LEU 249 Cb 0.93 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 1scq h LEU 249 CO 0.08 0.32 -0.01 -0.61 0.09 0.00 0.00 178.44 178.31 1scq h GLN 250 N 0.41 0.51 -0.90 1.13 5.75 -1.04 0.06 115.11 121.03 1scq h GLN 250 Ca 0.11 -0.17 0.01 0.00 -0.15 0.00 0.00 58.65 58.45 1scq h GLN 250 Cb 0.06 -0.04 -0.04 0.00 1.07 0.00 0.00 27.48 28.52 1scq h GLN 250 CO -0.01 0.67 0.59 1.49 -2.65 0.00 0.00 178.83 178.92 1scq h GLU 251 N 0.30 1.18 -0.29 1.69 4.81 -0.85 -1.16 114.58 120.26 1scq h GLU 251 Ca 0.08 -0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 59.20 1scq h GLU 251 Cb 0.45 -0.27 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 1scq h GLU 251 CO 0.02 0.78 0.03 0.28 -0.73 0.00 0.00 179.01 179.39 1scq h VAL 252 N 1.22 1.24 -0.11 0.32 2.07 -0.69 -1.86 116.25 118.45 1scq h VAL 252 Ca 0.33 -0.84 0.00 0.00 0.82 0.00 0.00 66.70 67.01 1scq h VAL 252 Cb -0.14 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 1scq h VAL 252 CO -0.07 0.27 0.07 0.00 0.02 0.00 0.00 177.57 177.86 1scq h ALA 253 N 0.86 1.94 0.00 1.67 0.00 -0.42 0.15 119.26 123.46 1scq h ALA 253 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1scq h ALA 253 Cb 0.37 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1scq h ALA 253 CO 0.01 0.05 -0.17 -0.25 0.00 0.00 0.00 179.25 178.89 1scq n ASP 254 N -4.52 0.44 -0.09 0.00 8.00 -0.49 -4.08 116.55 115.80 1scq n ASP 254 Ca -0.01 0.35 -0.11 0.00 0.71 0.00 0.00 54.79 55.73 1scq n ASP 254 Cb 0.09 -0.38 -0.10 0.00 -0.02 0.00 0.00 41.12 40.71 1scq n ASP 254 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1scq n THR 255 N -1.83 1.10 -5.22 -3.53 -1.04 -0.10 -4.99 114.28 98.67 1scq n THR 255 Ca 0.06 -0.53 -0.31 0.00 -2.04 0.00 0.00 64.05 61.23 1scq n THR 255 Cb 0.38 -0.94 -0.16 0.00 -1.82 0.00 0.00 70.33 67.79 1scq n THR 255 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 1scq s TYR 256 N -2.39 2.37 0.00 -1.42 2.02 0.33 -5.09 117.35 113.17 1scq s TYR 256 Ca -0.19 -0.72 0.00 0.00 -0.37 0.00 0.00 57.07 55.80 1scq s TYR 256 Cb 0.06 -1.56 0.00 0.00 -0.40 0.00 0.00 41.96 40.06 1scq s TYR 256 CO 0.53 -0.22 0.00 0.27 -1.57 0.00 0.00 175.55 174.56