#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yqy h TRP 10 N 0.00 0.11 -0.48 4.78 2.91 -1.97 -1.40 115.95 119.91 2yqy h TRP 10 Ca 0.00 0.02 -0.09 0.00 1.13 0.00 0.00 58.89 59.95 2yqy h TRP 10 Cb 0.00 -0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 28.63 2yqy h TRP 10 CO 0.00 0.03 -0.06 -0.44 -1.03 0.00 0.00 178.44 176.93 2yqy h ASP 11 N 0.18 0.82 -0.23 2.65 3.32 -2.02 -2.40 116.42 118.74 2yqy h ASP 11 Ca 0.14 -0.23 -0.01 0.00 0.02 0.00 0.00 57.03 56.95 2yqy h ASP 11 Cb 0.15 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 2yqy h ASP 11 CO -0.19 0.92 0.11 -0.33 -1.72 0.00 0.00 179.24 178.04 2yqy h GLU 12 N 0.77 0.34 -0.48 3.56 5.08 -1.92 -0.65 114.58 121.27 2yqy h GLU 12 Ca 0.14 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2yqy h GLU 12 Cb 0.55 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 2yqy h GLU 12 CO 0.03 0.34 0.29 0.00 -1.00 0.00 0.00 179.01 178.67 2yqy h ALA 13 N 0.97 0.61 -0.12 3.43 0.00 -1.16 -0.55 119.26 122.44 2yqy h ALA 13 Ca 0.08 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2yqy h ALA 13 Cb 0.12 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2yqy h ALA 13 CO -0.01 0.10 0.07 1.25 0.00 0.00 0.00 179.25 180.66 2yqy h LEU 14 N 0.64 0.12 -1.21 0.00 5.85 -1.38 -0.51 115.31 118.82 2yqy h LEU 14 Ca 0.17 -0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.91 2yqy h LEU 14 Cb -0.01 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 2yqy h LEU 14 CO -0.03 0.09 0.53 0.11 -0.34 0.00 0.00 178.44 178.80 2yqy h LYS 15 N 0.15 1.04 -0.74 1.25 6.56 -0.88 -1.23 116.57 122.71 2yqy h LYS 15 Ca 0.04 -0.06 0.01 0.00 -1.06 0.00 0.00 60.65 59.58 2yqy h LYS 15 Cb -0.01 -0.23 -0.04 0.00 -0.57 0.00 0.00 32.23 31.38 2yqy h LYS 15 CO -0.02 0.69 0.48 0.00 -2.06 0.00 0.00 179.45 178.54 2yqy h ARG 16 N 1.07 0.98 -0.54 3.15 3.08 -0.78 -2.20 114.38 119.14 2yqy h ARG 16 Ca 0.30 -0.06 -0.09 0.00 0.07 0.00 0.00 59.98 60.20 2yqy h ARG 16 Cb -0.08 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 29.73 2yqy h ARG 16 CO -0.07 0.65 -0.03 -0.07 -1.07 0.00 0.00 179.97 179.38 2yqy h LEU 17 N 1.00 0.92 -0.63 3.04 3.38 -0.29 -0.52 115.31 122.20 2yqy h LEU 17 Ca 0.27 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2yqy h LEU 17 Cb -0.11 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.37 2yqy h LEU 17 CO -0.06 0.99 0.36 -0.33 0.09 0.00 0.00 178.44 179.49 2yqy h GLU 18 N 0.86 0.88 -0.19 1.13 5.08 -1.08 -2.19 114.58 119.06 2yqy h GLU 18 Ca 0.15 -0.10 -0.04 0.00 -1.00 0.00 0.00 59.36 58.37 2yqy h GLU 18 Cb 0.55 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 2yqy h GLU 18 CO 0.03 0.65 -0.05 0.00 -1.00 0.00 0.00 179.01 178.64 2yqy h ALA 19 N 1.17 0.26 -0.08 3.43 0.00 -1.09 -2.74 119.26 120.21 2yqy h ALA 19 Ca 0.22 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 2yqy h ALA 19 Cb 0.02 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2yqy h ALA 19 CO -0.04 0.04 -0.35 0.66 0.00 0.00 0.00 179.25 179.56 2yqy h SER 20 N 0.08 0.17 -0.32 0.00 4.64 -1.09 -2.12 113.55 114.89 2yqy h SER 20 Ca 0.05 -0.06 -0.07 0.00 -0.47 0.00 0.00 61.79 61.24 2yqy h SER 20 Cb 0.50 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.53 2yqy h SER 20 CO 0.02 0.51 -0.06 -0.09 -0.87 0.00 0.00 176.83 176.35 2yqy h ARG 21 N 0.14 0.61 -0.56 4.77 9.65 -1.39 0.97 114.38 128.58 2yqy h ARG 21 Ca 0.02 -0.22 0.07 0.00 -1.10 0.00 0.00 59.98 58.74 2yqy h ARG 21 Cb 0.70 -0.04 -0.06 0.00 -1.39 0.00 0.00 29.97 29.18 2yqy h ARG 21 CO 0.05 0.78 0.24 0.87 2.80 0.00 0.00 179.97 184.71 2yqy h LYS 22 N 0.40 0.43 -0.29 0.20 1.57 -1.24 -0.02 116.57 117.62 2yqy h LYS 22 Ca 0.09 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 2yqy h LYS 22 Cb 0.54 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 2yqy h LYS 22 CO 0.03 0.29 0.15 0.00 -0.57 0.00 0.00 179.45 179.34 2yqy h ALA 23 N 1.35 0.37 -0.02 3.86 0.00 -1.17 -2.01 119.26 121.63 2yqy h ALA 23 Ca 0.26 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 2yqy h ALA 23 Cb 0.26 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 2yqy h ALA 23 CO -0.23 -0.08 0.01 1.25 0.00 0.00 0.00 179.25 180.19 2yqy h LEU 24 N 0.34 0.02 -1.04 0.00 5.85 -0.55 -1.81 115.31 118.13 2yqy h LEU 24 Ca 0.10 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 2yqy h LEU 24 Cb 0.09 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.07 2yqy h LEU 24 CO -0.01 0.12 0.50 -0.07 -0.34 0.00 0.00 178.44 178.64 2yqy h LEU 25 N -0.07 1.03 -0.25 2.25 3.38 -0.91 -1.34 115.31 119.40 2yqy h LEU 25 Ca 0.01 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 2yqy h LEU 25 Cb 0.10 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 2yqy h LEU 25 CO -0.00 0.80 -0.09 0.00 0.09 0.00 0.00 178.44 179.24 2yqy h ALA 26 N 1.37 0.35 -0.34 1.53 0.00 -1.28 -1.46 119.26 119.43 2yqy h ALA 26 Ca 0.31 -0.29 0.07 0.00 0.00 0.00 0.00 54.91 55.00 2yqy h ALA 26 Cb -0.03 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 17.60 2yqy h ALA 26 CO -0.06 0.18 -0.10 1.25 0.00 0.00 0.00 179.25 180.52 2yqy h LEU 27 N 0.24 -0.36 -0.40 0.00 6.46 -1.15 -0.68 115.31 119.41 2yqy h LEU 27 Ca 0.06 0.11 -0.02 0.00 -0.12 0.00 0.00 57.88 57.91 2yqy h LEU 27 Cb 0.57 0.23 -0.02 0.00 -0.73 0.00 0.00 40.66 40.71 2yqy h LEU 27 CO 0.03 -0.13 0.17 -0.07 -0.62 0.00 0.00 178.44 177.82 2yqy h LEU 28 N -0.02 0.54 -1.32 2.25 3.38 -1.11 -1.58 115.31 117.45 2yqy h LEU 28 Ca 0.17 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 2yqy h LEU 28 Cb 0.27 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 2yqy h LEU 28 CO -0.36 0.55 -0.25 0.03 0.09 0.00 0.00 178.44 178.50 2yqy h ARG 29 N 0.50 0.00 0.00 1.13 3.08 -1.09 -3.12 114.38 114.89 2yqy h ARG 29 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.19 2yqy h ARG 29 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.21 2yqy h ARG 29 CO -0.01 0.25 -1.12 0.39 -1.07 0.00 0.00 179.97 178.40 2yqy n GLU 30 N -3.57 0.16 -2.10 0.04 1.02 -0.28 -4.98 120.64 110.94 2yqy n GLU 30 Ca -0.01 -0.03 -0.38 0.00 -0.02 0.00 0.00 57.16 56.72 2yqy n GLU 30 Cb 0.39 -1.52 0.00 0.00 -0.02 0.00 0.00 31.44 30.30 2yqy n GLU 30 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2yqy s ALA 31 N -3.12 2.99 0.15 0.62 0.00 -0.60 -4.97 121.76 116.82 2yqy s ALA 31 Ca 0.05 1.10 -0.31 0.00 0.00 0.00 0.00 51.96 52.79 2yqy s ALA 31 Cb 0.16 -3.45 -0.11 0.00 0.00 0.00 0.00 23.12 19.72 2yqy s ALA 31 CO 0.85 -0.87 1.80 0.34 0.00 0.00 0.00 175.76 177.87 2yqy s ASP 32 N -1.13 6.41 0.35 0.00 2.15 -1.26 -4.91 116.67 118.28 2yqy s ASP 32 Ca 0.64 2.80 0.15 0.00 0.43 0.00 0.00 52.55 56.57 2yqy s ASP 32 Cb -0.34 -2.58 1.08 0.00 -0.30 0.00 0.00 42.92 40.78 2yqy s ASP 32 CO 0.41 -1.00 1.69 -0.65 -0.17 0.00 0.00 175.17 175.45 2yqy h PRO 33 N 8.03 0.36 -0.44 4.34 0.11 -1.95 -1.42 132.00 141.03 2yqy h PRO 33 Ca -0.45 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 65.54 2yqy h PRO 33 Cb 1.21 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 2yqy h PRO 33 CO 0.95 0.24 -0.11 0.00 -0.21 0.00 0.00 178.00 178.86 2yqy h ALA 34 N 1.78 0.98 -0.25 -0.75 0.00 -1.99 -3.00 119.26 116.03 2yqy h ALA 34 Ca 0.71 -0.32 -0.13 0.00 0.00 0.00 0.00 54.91 55.16 2yqy h ALA 34 Cb 1.64 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.24 2yqy h ALA 34 CO -0.53 0.61 -0.40 2.35 0.00 0.00 0.00 179.25 181.27 2yqy h TRP 35 N 0.72 0.71 -0.84 0.00 7.01 -1.65 -2.88 115.95 119.00 2yqy h TRP 35 Ca 0.12 -0.20 0.08 0.00 2.11 0.00 0.00 58.89 60.99 2yqy h TRP 35 Cb 0.60 -0.15 -0.06 0.00 -2.10 0.00 0.00 29.16 27.45 2yqy h TRP 35 CO 0.03 0.90 0.55 -0.07 -2.79 0.00 0.00 178.44 177.06 2yqy h LEU 36 N 0.49 0.78 -2.52 0.65 3.38 -1.34 -2.67 115.31 114.09 2yqy h LEU 36 Ca 0.04 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2yqy h LEU 36 Cb 0.91 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.50 2yqy h LEU 36 CO 0.08 0.49 0.00 -1.20 0.09 0.00 0.00 178.44 177.90 2yqy n SER 37 N -4.50 3.52 -4.86 -0.43 7.64 -1.21 -2.56 113.62 111.22 2yqy n SER 37 Ca 0.13 -1.97 -0.37 0.00 1.01 0.00 0.00 58.87 57.67 2yqy n SER 37 Cb 0.26 -0.33 -0.06 0.00 -1.01 0.00 0.00 64.21 63.07 2yqy n SER 37 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2yqy s ALA 38 N -1.22 3.77 0.30 -0.43 0.00 -1.01 -4.94 121.76 118.24 2yqy s ALA 38 Ca 0.39 -0.41 -0.29 0.00 0.00 0.00 0.00 51.96 51.65 2yqy s ALA 38 Cb 0.22 -2.21 -0.12 0.00 0.00 0.00 0.00 23.12 21.00 2yqy s ALA 38 CO 0.30 0.56 1.38 -2.30 0.00 0.00 0.00 175.76 175.70 2yqy n PRO 39 N 1.62 2.22 0.02 0.00 -0.02 -1.26 -4.17 135.00 133.41 2yqy n PRO 39 Ca -0.14 0.78 0.03 0.00 -2.02 0.00 0.00 63.50 62.15 2yqy n PRO 39 Cb 0.53 -2.43 0.41 0.00 -0.02 0.00 0.00 33.50 31.99 2yqy n PRO 39 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2yqy h LEU 40 N 3.43 0.43 0.00 2.45 3.38 -1.51 -3.46 115.31 120.03 2yqy h LEU 40 Ca -0.46 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.41 2yqy h LEU 40 Cb 1.27 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 2yqy h LEU 40 CO 0.69 0.37 0.06 -2.11 0.09 0.00 0.00 178.44 177.54 2yqy n ARG 41 N -4.42 0.52 -1.67 1.13 1.85 -1.26 -5.04 116.66 107.76 2yqy n ARG 41 Ca 0.02 -1.32 -0.47 0.00 -1.00 0.00 0.00 57.85 55.07 2yqy n ARG 41 Cb 0.11 1.48 -0.04 0.00 -1.05 0.00 0.00 32.46 32.96 2yqy n ARG 41 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71 2yqy n GLU 42 N -0.30 2.14 -0.81 2.89 4.07 -1.26 -1.28 120.64 126.09 2yqy n GLU 42 Ca -0.03 0.78 0.00 0.00 -0.06 0.00 0.00 57.16 57.85 2yqy n GLU 42 Cb 0.32 -2.58 0.00 0.00 -0.06 0.00 0.00 31.44 29.12 2yqy n GLU 42 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2yqy n GLY 43 N 3.90 0.85 3.89 8.31 0.00 -1.26 -5.00 105.19 115.88 2yqy n GLY 43 Ca 0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 2yqy n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2yqy s ALA 44 N -3.17 3.31 1.05 4.61 0.00 -0.41 -5.07 121.76 122.08 2yqy s ALA 44 Ca 0.00 -0.30 -0.13 0.00 0.00 0.00 0.00 51.96 51.53 2yqy s ALA 44 Cb 0.00 -2.74 0.21 0.00 0.00 0.00 0.00 23.12 20.59 2yqy s ALA 44 CO 0.00 -0.30 1.09 1.67 0.00 0.00 0.00 175.76 178.22 2yqy s TRP 45 N -2.70 1.84 0.38 0.00 1.48 -1.26 -4.30 118.94 114.37 2yqy s TRP 45 Ca 0.51 0.92 0.04 0.00 -1.06 0.00 0.00 56.10 56.51 2yqy s TRP 45 Cb -0.10 -3.28 -0.01 0.00 -1.16 0.00 0.00 33.47 28.92 2yqy s TRP 45 CO 0.42 -3.14 0.54 0.95 -4.06 0.00 0.00 176.95 171.66 2yqy s THR 46 N -2.93 4.04 0.32 0.66 -4.23 -1.26 -1.70 115.64 110.54 2yqy s THR 46 Ca 0.66 -0.82 0.06 0.00 -1.18 0.00 0.00 61.69 60.42 2yqy s THR 46 Cb -0.18 -3.43 0.31 0.00 1.34 0.00 0.00 72.50 70.53 2yqy s THR 46 CO 0.58 -0.22 1.84 -0.65 -0.54 0.00 0.00 174.62 175.63 2yqy h PRO 47 N 0.71 0.77 -0.27 3.99 0.11 -1.71 -1.26 132.00 134.34 2yqy h PRO 47 Ca -0.46 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 65.54 2yqy h PRO 47 Cb 1.26 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 2yqy h PRO 47 CO 0.54 0.51 -0.12 -0.07 -0.21 0.00 0.00 178.00 178.65 2yqy h LEU 48 N 0.79 0.44 -0.45 2.35 3.38 -1.85 -1.22 115.31 118.74 2yqy h LEU 48 Ca 0.50 -0.11 -0.15 0.00 0.09 0.00 0.00 57.88 58.21 2yqy h LEU 48 Cb 0.72 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 2yqy h LEU 48 CO -0.26 0.59 -0.34 0.24 0.09 0.00 0.00 178.44 178.76 2yqy h MET 49 N 0.42 0.91 -0.09 1.13 2.86 -1.70 -1.79 114.93 116.67 2yqy h MET 49 Ca 0.08 -0.45 0.02 0.00 -2.06 0.00 0.00 59.70 57.28 2yqy h MET 49 Cb 0.47 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.12 2yqy h MET 49 CO 0.03 1.11 -0.02 0.28 1.06 0.00 0.00 176.91 179.36 2yqy h VAL 50 N 0.76 0.91 -0.63 -2.22 2.07 -0.91 -0.52 116.25 115.71 2yqy h VAL 50 Ca 0.07 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.59 2yqy h VAL 50 Cb 0.93 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 31.57 2yqy h VAL 50 CO 0.09 0.00 0.40 0.00 0.02 0.00 0.00 177.57 178.08 2yqy h ALA 51 N 1.09 0.79 -0.92 1.67 0.00 -1.16 -1.32 119.26 119.42 2yqy h ALA 51 Ca 0.05 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.92 2yqy h ALA 51 Cb 0.07 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.56 2yqy h ALA 51 CO -0.09 0.25 0.61 1.49 0.00 0.00 0.00 179.25 181.50 2yqy h GLU 52 N 0.85 1.18 -0.23 0.00 4.81 -1.13 -1.83 114.58 118.24 2yqy h GLU 52 Ca 0.23 -0.07 0.03 0.00 -0.13 0.00 0.00 59.36 59.41 2yqy h GLU 52 Cb -0.07 -0.27 -0.03 0.00 0.63 0.00 0.00 28.75 29.02 2yqy h GLU 52 CO -0.05 0.78 0.07 1.25 -0.73 0.00 0.00 179.01 180.34 2yqy h HIS 53 N 1.22 0.12 -0.28 0.92 2.76 -0.33 -0.08 115.15 119.49 2yqy h HIS 53 Ca 0.35 0.01 0.06 0.00 -2.20 0.00 0.00 60.37 58.59 2yqy h HIS 53 Cb -0.10 -0.02 -0.06 0.00 1.55 0.00 0.00 27.41 28.78 2yqy h HIS 53 CO -0.01 0.05 -0.14 0.28 -1.30 0.00 0.00 177.93 176.81 2yqy h VAL 54 N 0.17 0.56 -0.46 5.26 2.07 -0.93 -1.53 116.25 121.39 2yqy h VAL 54 Ca 0.10 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.68 2yqy h VAL 54 Cb 0.08 0.56 -0.05 0.00 -1.52 0.00 0.00 31.29 30.37 2yqy h VAL 54 CO -0.12 0.00 0.18 0.00 0.02 0.00 0.00 177.57 177.65 2yqy h ALA 55 N 1.11 0.56 -0.69 1.67 0.00 -0.96 -1.94 119.26 119.01 2yqy h ALA 55 Ca 0.15 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 2yqy h ALA 55 Cb 0.33 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 2yqy h ALA 55 CO -0.35 -0.20 0.17 -0.07 0.00 0.00 0.00 179.25 178.80 2yqy h LEU 56 N 0.36 1.03 -0.84 0.00 3.38 -0.60 -0.96 115.31 117.68 2yqy h LEU 56 Ca 0.21 -0.21 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 2yqy h LEU 56 Cb 0.19 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 2yqy h LEU 56 CO -0.20 0.99 -0.21 0.58 0.09 0.00 0.00 178.44 179.68 2yqy h VAL 57 N 1.04 1.26 -0.29 1.22 2.07 -1.14 0.21 116.25 120.62 2yqy h VAL 57 Ca 0.22 -1.26 -0.13 0.00 0.82 0.00 0.00 66.70 66.34 2yqy h VAL 57 Cb 0.36 1.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 2yqy h VAL 57 CO 0.00 0.41 -0.36 -0.33 0.02 0.00 0.00 177.57 177.31 2yqy h GLU 58 N 0.55 0.66 -0.22 1.57 5.08 -0.95 0.51 114.58 121.78 2yqy h GLU 58 Ca 0.08 -0.32 -0.00 0.00 -1.00 0.00 0.00 59.36 58.12 2yqy h GLU 58 Cb 0.67 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 2yqy h GLU 58 CO 0.05 0.92 0.13 0.22 -1.00 0.00 0.00 179.01 179.32 2yqy h ASP 59 N 0.55 0.28 -0.34 1.42 3.58 -0.73 -1.25 116.42 119.92 2yqy h ASP 59 Ca 0.05 -0.07 -0.01 0.00 0.42 0.00 0.00 57.03 57.42 2yqy h ASP 59 Cb 0.88 -0.07 -0.02 0.00 1.72 0.00 0.00 39.33 41.84 2yqy h ASP 59 CO 0.08 0.27 0.18 -1.28 -2.88 0.00 0.00 179.24 175.61 2yqy h SER 60 N 0.26 0.42 -0.54 2.28 0.87 -0.82 -1.99 113.55 114.03 2yqy h SER 60 Ca 0.08 -0.09 0.06 0.00 -1.23 0.00 0.00 61.79 60.61 2yqy h SER 60 Cb 0.05 -0.11 -0.05 0.00 -0.44 0.00 0.00 62.40 61.85 2yqy h SER 60 CO -0.01 0.39 0.26 0.74 -0.53 0.00 0.00 176.83 177.67 2yqy h THR 61 N 0.42 0.91 -0.89 2.23 2.02 -0.78 -0.62 112.91 116.20 2yqy h THR 61 Ca 0.12 -0.17 0.03 0.00 0.77 0.00 0.00 66.41 67.16 2yqy h THR 61 Cb 0.06 0.38 -0.05 0.00 -1.74 0.00 0.00 68.15 66.80 2yqy h THR 61 CO -0.02 0.09 0.58 0.00 0.37 0.00 0.00 175.52 176.54 2yqy h ALA 62 N 1.31 1.18 -0.27 6.16 0.00 -0.86 0.68 119.26 127.47 2yqy h ALA 62 Ca 0.25 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.02 2yqy h ALA 62 Cb 0.19 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2yqy h ALA 62 CO -0.19 0.44 -0.25 0.00 0.00 0.00 0.00 179.25 179.24 2yqy h ARG 63 N 1.13 0.52 -0.28 0.00 3.08 -0.58 -0.78 114.38 117.46 2yqy h ARG 63 Ca 0.36 -0.20 -0.02 0.00 0.07 0.00 0.00 59.98 60.19 2yqy h ARG 63 Cb 0.00 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 2yqy h ARG 63 CO -0.12 0.73 0.10 0.28 -1.07 0.00 0.00 179.97 179.89 2yqy h VAL 64 N 0.45 1.19 -0.93 2.04 2.07 -0.42 -0.64 116.25 120.02 2yqy h VAL 64 Ca 0.07 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 67.00 2yqy h VAL 64 Cb 0.69 1.05 -0.05 0.00 -1.52 0.00 0.00 31.29 31.46 2yqy h VAL 64 CO 0.05 0.20 0.60 -0.07 0.02 0.00 0.00 177.57 178.37 2yqy h LEU 65 N 0.30 1.08 -0.52 2.57 3.38 -0.68 0.91 115.31 122.35 2yqy h LEU 65 Ca 0.09 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 2yqy h LEU 65 Cb 0.21 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 2yqy h LEU 65 CO -0.01 0.80 0.26 -0.09 0.09 0.00 0.00 178.44 179.49 2yqy h ARG 66 N 1.26 0.74 -0.68 1.13 2.43 -0.88 -1.37 114.38 117.02 2yqy h ARG 66 Ca 0.34 -0.10 -0.03 0.00 -0.81 0.00 0.00 59.98 59.37 2yqy h ARG 66 Cb -0.12 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.27 2yqy h ARG 66 CO -0.07 0.61 0.31 -0.09 -1.51 0.00 0.00 179.97 179.22 2yqy h ARG 67 N 0.69 0.98 -0.09 0.20 2.43 -0.41 -1.94 114.38 116.25 2yqy h ARG 67 Ca 0.18 -0.15 -0.04 0.00 -0.81 0.00 0.00 59.98 59.15 2yqy h ARG 67 Cb 0.10 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 2yqy h ARG 67 CO -0.02 0.79 -0.14 -0.07 -1.51 0.00 0.00 179.97 179.01 2yqy h LEU 68 N 0.94 0.12 -0.18 3.80 3.38 -0.63 -0.18 115.31 122.57 2yqy h LEU 68 Ca 0.23 -0.02 -0.14 0.00 0.09 0.00 0.00 57.88 58.04 2yqy h LEU 68 Cb 0.14 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2yqy h LEU 68 CO -0.03 0.28 -0.43 -0.09 0.09 0.00 0.00 178.44 178.26 2yqy h ARG 69 N 0.13 0.61 -0.56 1.13 2.43 -1.03 -1.93 114.38 115.15 2yqy h ARG 69 Ca 0.03 -0.42 -0.09 0.00 -0.81 0.00 0.00 59.98 58.69 2yqy h ARG 69 Cb 0.33 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.92 2yqy h ARG 69 CO 0.02 1.03 0.02 0.00 -1.51 0.00 0.00 179.97 179.53 2yqy h ARG 70 N 0.27 0.99 -0.12 0.20 3.08 -0.74 -2.13 114.38 115.93 2yqy h ARG 70 Ca -0.00 -0.31 -0.00 0.00 0.07 0.00 0.00 59.98 59.74 2yqy h ARG 70 Cb 1.04 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.99 2yqy h ARG 70 CO 0.09 0.98 0.07 -0.07 -1.07 0.00 0.00 179.97 179.98 2yqy h LEU 71 N 0.87 0.14 -0.04 3.04 3.38 -1.06 -3.51 115.31 118.12 2yqy h LEU 71 Ca 0.16 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 2yqy h LEU 71 Cb 0.52 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 2yqy h LEU 71 CO 0.03 0.10 -0.02 0.00 0.09 0.00 0.00 178.44 178.64 2yqy h ALA 72 N 1.92 0.06 0.00 1.53 0.00 -0.64 -3.51 119.26 118.62 2yqy h ALA 72 Ca 0.04 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2yqy h ALA 72 Cb -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2yqy h ALA 72 CO -0.01 -0.20 0.00 -0.11 0.00 0.00 0.00 179.25 178.93 2yqy n LEU 104 N -4.81 0.00 -4.82 0.00 7.94 -1.26 -5.10 117.00 108.94 2yqy n LEU 104 Ca -0.08 0.00 -0.22 0.00 -1.11 0.00 0.00 56.01 54.60 2yqy n LEU 104 Cb 0.24 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.15 2yqy n LEU 104 CO 0.35 0.00 -0.17 -0.94 -1.11 0.00 0.00 177.39 175.52 2yqy s SER 105 N 0.00 5.53 0.10 1.96 1.04 -1.26 -5.00 113.70 116.07 2yqy s SER 105 Ca 0.00 -0.24 -0.22 0.00 0.48 0.00 0.00 55.95 55.97 2yqy s SER 105 Cb 0.00 -1.41 -0.11 0.00 0.10 0.00 0.00 66.02 64.60 2yqy s SER 105 CO 0.00 -0.03 1.74 0.25 0.98 0.00 0.00 173.24 176.18 2yqy h LEU 106 N 1.55 -0.00 -0.61 2.42 5.85 -2.00 -0.60 115.31 121.93 2yqy h LEU 106 Ca -0.48 0.01 0.13 0.00 0.84 0.00 0.00 57.88 58.37 2yqy h LEU 106 Cb 1.24 0.02 -0.11 0.00 0.37 0.00 0.00 40.66 42.17 2yqy h LEU 106 CO 0.61 0.01 -0.09 -0.08 -0.34 0.00 0.00 178.44 178.55 2yqy h GLU 107 N 0.04 0.04 -0.14 1.25 4.57 -1.99 0.20 114.58 118.56 2yqy h GLU 107 Ca 0.03 -0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.20 2yqy h GLU 107 Cb 0.03 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.60 2yqy h GLU 107 CO -0.04 0.03 0.07 1.05 -1.18 0.00 0.00 179.01 178.94 2yqy h GLU 108 N 0.04 0.20 -0.54 1.92 -0.00 -1.87 -2.26 114.58 112.08 2yqy h GLU 108 Ca 0.31 -0.03 -0.03 0.00 -0.00 0.00 0.00 59.36 59.61 2yqy h GLU 108 Cb 0.49 -0.04 -0.02 0.00 -0.00 0.00 0.00 28.75 29.17 2yqy h GLU 108 CO -0.59 0.25 0.23 0.28 -0.00 0.00 0.00 179.01 179.18 2yqy h VAL 109 N 0.11 1.21 -0.73 -1.06 2.07 -0.33 -1.52 116.25 116.00 2yqy h VAL 109 Ca 0.05 -0.63 -0.02 0.00 0.82 0.00 0.00 66.70 66.91 2yqy h VAL 109 Cb 0.11 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.47 2yqy h VAL 109 CO -0.01 0.25 0.36 -0.07 0.02 0.00 0.00 177.57 178.12 2yqy h LEU 110 N 0.72 0.93 -0.45 2.57 3.38 -0.61 -0.40 115.31 121.45 2yqy h LEU 110 Ca 0.18 -0.10 -0.14 0.00 0.09 0.00 0.00 57.88 57.91 2yqy h LEU 110 Cb 0.17 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 2yqy h LEU 110 CO -0.02 0.78 -0.27 0.00 0.09 0.00 0.00 178.44 179.02 2yqy h ALA 111 N 1.37 0.64 -0.59 1.53 0.00 -1.18 -1.90 119.26 119.12 2yqy h ALA 111 Ca 0.25 -0.41 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 2yqy h ALA 111 Cb 0.09 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2yqy h ALA 111 CO -0.03 0.67 0.16 1.25 0.00 0.00 0.00 179.25 181.29 2yqy h LEU 112 N 0.83 0.89 -0.37 0.00 5.85 -0.80 -2.10 115.31 119.60 2yqy h LEU 112 Ca 0.09 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.59 2yqy h LEU 112 Cb 0.86 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 2yqy h LEU 112 CO 0.08 0.88 0.25 -0.07 -0.34 0.00 0.00 178.44 179.23 2yqy h LEU 113 N 0.85 0.43 -0.37 2.25 3.38 -0.98 -2.28 115.31 118.59 2yqy h LEU 113 Ca 0.19 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.11 2yqy h LEU 113 Cb 0.33 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 2yqy h LEU 113 CO -0.00 0.31 0.08 0.44 0.09 0.00 0.00 178.44 179.36 2yqy h ASP 114 N 0.50 0.57 0.06 -0.43 3.32 -1.14 -1.51 116.42 117.78 2yqy h ASP 114 Ca 0.14 -0.24 -0.00 0.00 0.02 0.00 0.00 57.03 56.95 2yqy h ASP 114 Cb -0.06 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.34 2yqy h ASP 114 CO -0.03 0.66 -0.03 -0.09 -1.72 0.00 0.00 179.24 178.03 2yqy h ARG 115 N 0.45 -0.07 -0.63 3.56 9.65 -1.35 -0.38 114.38 125.61 2yqy h ARG 115 Ca 0.12 0.00 -0.06 0.00 -1.10 0.00 0.00 59.98 58.94 2yqy h ARG 115 Cb 0.32 0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 28.89 2yqy h ARG 115 CO 0.00 0.06 0.15 0.00 2.80 0.00 0.00 179.97 182.98 2yqy h ALA 116 N 0.75 1.07 -0.46 2.80 0.00 -1.36 -1.89 119.26 120.17 2yqy h ALA 116 Ca -0.01 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.56 2yqy h ALA 116 Cb 0.16 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2yqy h ALA 116 CO 0.01 0.61 -0.13 -0.09 0.00 0.00 0.00 179.25 179.66 2yqy h ARG 117 N 0.95 0.90 -0.68 0.00 9.65 -1.18 0.23 114.38 124.25 2yqy h ARG 117 Ca 0.20 -0.35 0.03 0.00 -1.10 0.00 0.00 59.98 58.76 2yqy h ARG 117 Cb 0.35 -0.05 -0.04 0.00 -1.39 0.00 0.00 29.97 28.84 2yqy h ARG 117 CO 0.00 1.01 0.43 0.00 2.80 0.00 0.00 179.97 184.20 2yqy h ALA 118 N 0.87 0.89 0.03 2.80 0.00 -0.82 -0.86 119.26 122.18 2yqy h ALA 118 Ca 0.11 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 2yqy h ALA 118 Cb 0.68 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2yqy h ALA 118 CO 0.05 0.19 -0.02 0.35 0.00 0.00 0.00 179.25 179.83 2yqy h PHE 119 N 0.83 -0.04 -0.52 0.00 3.57 -1.06 -1.54 116.94 118.18 2yqy h PHE 119 Ca 0.27 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.85 2yqy h PHE 119 Cb 0.02 0.01 -0.07 0.00 2.79 0.00 0.00 35.95 38.71 2yqy h PHE 119 CO -0.04 0.21 0.16 1.25 -2.23 0.00 0.00 178.31 177.65 2yqy h LEU 120 N -0.29 0.12 -0.98 0.59 5.85 -0.39 -2.11 115.31 118.10 2yqy h LEU 120 Ca -0.00 0.08 -0.07 0.00 0.84 0.00 0.00 57.88 58.72 2yqy h LEU 120 Cb 0.27 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 2yqy h LEU 120 CO 0.01 0.09 -0.02 -0.07 -0.34 0.00 0.00 178.44 178.10 2yqy h LEU 121 N 0.32 0.69 -0.68 2.25 3.38 -0.99 0.71 115.31 120.98 2yqy h LEU 121 Ca 0.26 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 2yqy h LEU 121 Cb 0.32 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 2yqy h LEU 121 CO -0.29 0.77 0.41 -0.33 0.09 0.00 0.00 178.44 179.09 2yqy h GLU 122 N 0.67 0.93 -0.07 1.13 5.08 -0.89 -1.07 114.58 120.35 2yqy h GLU 122 Ca 0.13 -0.09 -0.19 0.00 -1.00 0.00 0.00 59.36 58.21 2yqy h GLU 122 Cb 0.45 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 2yqy h GLU 122 CO 0.02 0.66 -0.75 0.93 -1.00 0.00 0.00 179.01 178.87 2yqy h GLU 123 N 0.93 0.43 -0.60 2.33 4.39 -0.88 -2.69 114.58 118.49 2yqy h GLU 123 Ca 0.24 -0.36 0.05 0.00 0.34 0.00 0.00 59.36 59.64 2yqy h GLU 123 Cb -0.02 0.08 -0.05 0.00 -0.10 0.00 0.00 28.75 28.66 2yqy h GLU 123 CO -0.05 1.00 0.32 0.28 -1.16 0.00 0.00 179.01 179.41 2yqy h VAL 124 N 0.29 0.97 -0.11 3.13 2.07 -0.74 -0.99 116.25 120.86 2yqy h VAL 124 Ca -0.04 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 67.26 2yqy h VAL 124 Cb 1.34 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 2yqy h VAL 124 CO 0.13 0.11 -0.02 0.00 0.02 0.00 0.00 177.57 177.81 2yqy h ALA 125 N 1.31 1.78 -0.01 1.67 0.00 -0.99 -2.51 119.26 120.51 2yqy h ALA 125 Ca 0.26 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2yqy h ALA 125 Cb 0.15 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2yqy h ALA 125 CO -0.17 0.17 -0.37 1.63 0.00 0.00 0.00 179.25 180.51 2yqy n LYS 126 N -4.42 0.64 -2.42 0.00 5.02 -0.92 -4.98 118.16 111.07 2yqy n LYS 126 Ca -0.01 -0.40 -0.30 0.00 -2.02 0.00 0.00 58.31 55.57 2yqy n LYS 126 Cb 0.16 -1.49 -0.01 0.00 -0.02 0.00 0.00 35.03 33.66 2yqy n LYS 126 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2yqy s ALA 127 N -2.64 3.22 -0.39 7.82 0.00 -0.42 -5.03 121.76 124.31 2yqy s ALA 127 Ca 0.20 -0.13 -0.10 0.00 0.00 0.00 0.00 51.96 51.94 2yqy s ALA 127 Cb 0.19 -2.90 0.05 0.00 0.00 0.00 0.00 23.12 20.46 2yqy s ALA 127 CO 0.58 -0.32 0.21 0.34 0.00 0.00 0.00 175.76 176.57 2yqy s ASP 128 N -3.60 5.63 0.54 0.00 2.15 -1.26 -4.98 116.67 115.14 2yqy s ASP 128 Ca 0.54 -1.22 0.32 0.00 0.43 0.00 0.00 52.55 52.61 2yqy s ASP 128 Cb -0.10 -1.98 1.48 0.00 -0.30 0.00 0.00 42.92 42.01 2yqy s ASP 128 CO 0.40 -0.44 1.88 -0.65 -0.17 0.00 0.00 175.17 176.20 2yqy h PRO 129 N 8.39 0.01 -0.31 4.34 0.11 -1.96 0.39 132.00 142.97 2yqy h PRO 129 Ca -0.24 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 2yqy h PRO 129 Cb 1.09 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2yqy h PRO 129 CO 0.69 0.01 0.00 1.04 -0.21 0.00 0.00 178.00 179.53 2yqy n GLN 130 N -4.27 2.32 -1.65 1.05 1.13 -1.26 -3.93 117.38 110.77 2yqy n GLN 130 Ca 0.19 -1.98 -0.52 0.00 -1.94 0.00 0.00 57.00 52.75 2yqy n GLN 130 Cb 0.98 -1.48 -0.06 0.00 0.11 0.00 0.00 30.24 29.79 2yqy n GLN 130 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 2yqy n ASN 131 N 1.21 2.85 0.02 1.08 2.85 0.12 -4.86 115.26 118.53 2yqy n ASN 131 Ca 0.18 0.90 0.11 0.00 -0.11 0.00 0.00 54.58 55.66 2yqy n ASN 131 Cb 0.54 -1.27 0.48 0.00 1.24 0.00 0.00 39.78 40.77 2yqy n ASN 131 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 2yqy n PRO 132 N 6.52 0.04 -2.05 1.20 -0.04 -1.26 -4.31 135.00 135.10 2yqy n PRO 132 Ca 0.27 0.15 -0.38 0.00 -0.04 0.00 0.00 63.50 63.50 2yqy n PRO 132 Cb 0.23 -1.56 0.01 0.00 -0.04 0.00 0.00 33.50 32.13 2yqy n PRO 132 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2yqy s ALA 133 N -3.04 3.04 0.14 0.55 0.00 -1.26 -4.84 121.76 116.36 2yqy s ALA 133 Ca 0.10 1.15 0.07 0.00 0.00 0.00 0.00 51.96 53.29 2yqy s ALA 133 Cb 0.14 -3.47 -0.04 0.00 0.00 0.00 0.00 23.12 19.75 2yqy s ALA 133 CO 0.43 -0.91 -0.17 0.95 0.00 0.00 0.00 175.76 176.06 2yqy s THR 134 N -1.37 1.60 0.00 0.00 -4.23 -1.26 -4.10 115.64 106.27 2yqy s THR 134 Ca 0.63 -1.78 0.01 0.00 -1.18 0.00 0.00 61.69 59.37 2yqy s THR 134 Cb -0.35 -1.67 -0.00 0.00 1.34 0.00 0.00 72.50 71.81 2yqy s THR 134 CO 0.44 -0.32 -0.03 0.12 -0.54 0.00 0.00 174.62 174.29 2yqy s PHE 135 N -1.97 0.23 0.10 3.99 5.36 -0.09 -4.89 117.98 120.71 2yqy s PHE 135 Ca 0.12 -0.10 -0.31 0.00 -0.96 0.00 0.00 56.93 55.68 2yqy s PHE 135 Cb -0.06 -0.15 -0.08 0.00 -0.34 0.00 0.00 43.02 42.40 2yqy s PHE 135 CO 0.05 -0.02 1.43 -1.25 -1.46 0.00 0.00 175.22 173.97 2yqy s PRO 136 N -0.24 4.29 -0.17 10.12 0.04 -1.26 -1.95 135.00 145.84 2yqy s PRO 136 Ca -0.01 2.12 -0.11 0.00 0.04 0.00 0.00 61.00 63.04 2yqy s PRO 136 Cb -0.02 -3.30 -0.05 0.00 0.04 0.00 0.00 34.50 31.17 2yqy s PRO 136 CO -0.00 -0.50 0.19 -1.58 0.04 0.00 0.00 177.00 175.15 2yqy s HIS 137 N 1.38 3.46 0.48 0.56 2.46 0.12 -4.95 115.29 118.80 2yqy s HIS 137 Ca 0.66 0.45 0.27 0.00 0.47 0.00 0.00 55.06 56.90 2yqy s HIS 137 Cb -0.37 -2.19 1.33 0.00 -0.13 0.00 0.00 32.58 31.22 2yqy s HIS 137 CO 0.30 0.34 1.85 -1.00 -2.47 0.00 0.00 174.74 173.76 2yqy h PRO 138 N 6.41 0.16 0.00 2.88 0.13 -1.95 -1.23 132.00 138.41 2yqy h PRO 138 Ca -0.43 -0.01 -0.31 0.00 -0.87 0.00 0.00 66.00 64.38 2yqy h PRO 138 Cb 1.17 -0.04 -0.05 0.00 0.13 0.00 0.00 31.00 32.21 2yqy h PRO 138 CO 0.73 0.11 -2.12 0.34 -0.23 0.00 0.00 178.00 176.84 2yqy n PHE 139 N -4.38 0.00 1.32 1.56 7.35 -1.26 -4.70 117.46 117.35 2yqy n PHE 139 Ca 0.21 0.00 0.13 0.00 -0.76 0.00 0.00 57.45 57.03 2yqy n PHE 139 Cb 0.92 -0.74 0.42 0.00 0.35 0.00 0.00 39.48 40.44 2yqy n PHE 139 CO 0.00 0.00 0.00 1.19 -0.76 0.00 0.00 176.76 177.19 2yqy n PHE 140 N -3.38 0.00 -4.31 -5.13 3.72 -1.20 -5.05 117.46 102.11 2yqy n PHE 140 Ca -0.36 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.04 2yqy n PHE 140 Cb 0.84 -0.09 0.00 0.00 -0.94 0.00 0.00 39.48 39.29 2yqy n PHE 140 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2yqy n GLY 141 N 1.29 0.06 3.63 1.37 0.00 -0.47 -4.76 105.19 106.30 2yqy n GLY 141 Ca 0.14 -0.95 -0.43 0.00 0.00 0.00 0.00 46.02 44.78 2yqy n GLY 141 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2yqy s GLU 142 N 0.00 3.87 0.01 1.61 0.41 -1.26 0.10 118.70 123.44 2yqy s GLU 142 Ca 0.00 1.45 0.08 0.00 -0.41 0.00 0.00 54.97 56.09 2yqy s GLU 142 Cb 0.00 -3.95 -0.02 0.00 -1.78 0.00 0.00 34.13 28.38 2yqy s GLU 142 CO 0.00 -1.19 -0.23 -0.51 -0.49 0.00 0.00 175.26 172.84 2yqy s LEU 143 N 4.72 2.10 0.00 1.80 1.43 -0.82 -4.88 118.68 123.03 2yqy s LEU 143 Ca 0.63 -0.48 -0.05 0.00 -1.03 0.00 0.00 54.13 53.20 2yqy s LEU 143 Cb -0.21 -1.16 0.15 0.00 0.03 0.00 0.00 46.19 45.01 2yqy s LEU 143 CO 0.26 0.25 1.00 -0.46 0.23 0.00 0.00 176.35 177.62 2yqy n ASN 144 N 2.17 0.89 -0.31 2.29 0.23 -1.26 -0.91 115.26 118.36 2yqy n ASN 144 Ca -0.16 -1.85 0.05 0.00 -0.53 0.00 0.00 54.58 52.08 2yqy n ASN 144 Cb 0.52 -0.69 0.19 0.00 -2.08 0.00 0.00 39.78 37.73 2yqy n ASN 144 CO 0.00 0.00 0.00 -0.65 -0.93 0.00 0.00 177.26 175.68 2yqy h PRO 145 N 0.00 0.76 -0.49 -0.53 0.11 -1.75 -1.22 132.00 128.89 2yqy h PRO 145 Ca -0.33 -0.05 0.04 0.00 0.11 0.00 0.00 66.00 65.78 2yqy h PRO 145 Cb 1.10 -0.17 -0.04 0.00 0.11 0.00 0.00 31.00 31.99 2yqy h PRO 145 CO 0.31 0.51 0.25 1.25 -0.21 0.00 0.00 178.00 180.11 2yqy h LEU 146 N 0.79 0.37 -0.38 2.35 5.85 -1.87 -0.56 115.31 121.86 2yqy h LEU 146 Ca 0.43 0.02 0.02 0.00 0.84 0.00 0.00 57.88 59.20 2yqy h LEU 146 Cb 0.46 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 2yqy h LEU 146 CO -0.28 0.26 0.20 1.23 -0.34 0.00 0.00 178.44 179.52 2yqy h GLY 147 N 0.50 0.53 0.92 3.75 0.00 -1.70 -0.26 103.07 106.79 2yqy h GLY 147 Ca 0.21 -0.15 0.03 0.00 0.00 0.00 0.00 47.33 47.42 2yqy h GLY 147 CO -0.14 0.12 0.62 1.49 0.00 0.00 0.00 176.54 178.62 2yqy h TRP 148 N 0.41 1.16 -0.24 5.60 4.06 -0.95 -0.64 115.95 125.35 2yqy h TRP 148 Ca 0.16 0.03 -0.08 0.00 2.06 0.00 0.00 58.89 61.05 2yqy h TRP 148 Cb 0.05 -0.39 -0.00 0.00 -1.00 0.00 0.00 29.16 27.82 2yqy h TRP 148 CO -0.09 0.69 -0.18 1.25 -3.56 0.00 0.00 178.44 176.55 2yqy h LEU 149 N 1.21 0.57 -0.68 -4.49 5.85 -0.67 -2.25 115.31 114.86 2yqy h LEU 149 Ca 0.37 -0.45 0.05 0.00 0.84 0.00 0.00 57.88 58.69 2yqy h LEU 149 Cb -0.04 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 40.78 2yqy h LEU 149 CO -0.11 0.90 0.40 0.03 -0.34 0.00 0.00 178.44 179.32 2yqy h ARG 150 N 0.25 0.72 -5.16 1.25 3.08 -0.93 -1.04 114.38 112.55 2yqy h ARG 150 Ca 0.05 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 2yqy h ARG 150 Cb 0.71 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.60 2yqy h ARG 150 CO 0.05 0.48 0.09 0.00 -1.07 0.00 0.00 179.97 179.52 2yqy n ALA 151 N -2.34 0.27 -0.22 0.04 0.00 -0.26 -0.94 120.51 117.06 2yqy n ALA 151 Ca 0.08 -1.86 -0.01 0.00 0.00 0.00 0.00 53.44 51.66 2yqy n ALA 151 Cb 0.15 -3.19 0.06 0.00 0.00 0.00 0.00 19.45 16.48 2yqy n ALA 151 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2yqy h ALA 152 N 11.91 0.40 -0.12 0.00 0.00 -1.15 0.94 119.26 131.23 2yqy h ALA 152 Ca 0.00 0.25 0.02 0.00 0.00 0.00 0.00 54.91 55.18 2yqy h ALA 152 Cb 1.00 0.53 -0.02 0.00 0.00 0.00 0.00 17.79 19.30 2yqy h ALA 152 CO 1.02 -0.44 0.01 0.00 0.00 0.00 0.00 179.25 179.84 2yqy h ALA 153 N 1.60 0.11 -0.80 0.00 0.00 -0.88 -2.03 119.26 117.26 2yqy h ALA 153 Ca 0.31 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.22 2yqy h ALA 153 Cb 0.49 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 2yqy h ALA 153 CO -0.68 -0.44 0.38 -0.92 0.00 0.00 0.00 179.25 177.59 2yqy h TYR 154 N 0.06 1.14 0.24 0.00 3.20 -0.98 -1.84 116.97 118.79 2yqy h TYR 154 Ca 0.05 -0.05 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 2yqy h TYR 154 Cb 0.05 -0.35 0.00 0.00 1.54 0.00 0.00 36.73 37.97 2yqy h TYR 154 CO -0.13 0.83 -0.12 1.25 -1.64 0.00 0.00 178.16 178.35 2yqy h HIS 155 N 1.13 -0.30 -0.73 -3.82 2.76 -0.50 0.11 115.15 113.80 2yqy h HIS 155 Ca 0.27 -0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.40 2yqy h HIS 155 Cb 0.11 0.10 -0.03 0.00 1.55 0.00 0.00 27.41 29.14 2yqy h HIS 155 CO 0.01 -0.13 0.30 1.49 -1.30 0.00 0.00 177.93 178.31 2yqy h GLU 156 N -0.40 1.07 -0.52 5.26 4.81 -1.36 -2.11 114.58 121.33 2yqy h GLU 156 Ca -0.03 -0.18 -0.02 0.00 -0.13 0.00 0.00 59.36 59.00 2yqy h GLU 156 Cb 0.31 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 2yqy h GLU 156 CO 0.05 0.86 0.25 0.00 -0.73 0.00 0.00 179.01 179.45 2yqy h ALA 157 N 1.28 0.67 -0.33 2.92 0.00 -1.02 -0.15 119.26 122.63 2yqy h ALA 157 Ca 0.25 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.05 2yqy h ALA 157 Cb 0.18 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2yqy h ALA 157 CO -0.02 0.23 0.19 1.25 0.00 0.00 0.00 179.25 180.90 2yqy h HIS 158 N 0.70 0.35 -0.06 0.00 -0.00 -0.60 -0.88 115.15 114.66 2yqy h HIS 158 Ca 0.18 0.01 -0.22 0.00 -0.00 0.00 0.00 60.37 60.34 2yqy h HIS 158 Cb 0.11 -0.11 0.00 0.00 -0.00 0.00 0.00 27.41 27.42 2yqy h HIS 158 CO -0.01 0.20 -0.86 0.45 -0.00 0.00 0.00 177.93 177.72 2yqy h HIS 159 N 0.39 0.74 -0.17 5.26 -0.00 -1.15 -1.76 115.15 118.45 2yqy h HIS 159 Ca 0.13 -0.36 0.04 0.00 -0.00 0.00 0.00 60.37 60.18 2yqy h HIS 159 Cb 0.01 -0.10 -0.03 0.00 -0.00 0.00 0.00 27.41 27.29 2yqy h HIS 159 CO -0.08 1.17 -0.05 1.25 -0.00 0.00 0.00 177.93 180.22 2yqy h LEU 160 N 0.33 -0.18 -0.80 2.43 5.85 -0.97 -1.51 115.31 120.47 2yqy h LEU 160 Ca -0.07 0.05 0.10 0.00 0.84 0.00 0.00 57.88 58.81 2yqy h LEU 160 Cb 1.47 0.11 -0.08 0.00 0.37 0.00 0.00 40.66 42.54 2yqy h LEU 160 CO 0.16 -0.06 0.44 0.50 -0.34 0.00 0.00 178.44 179.13 2yqy h LYS 161 N -0.01 0.70 -0.42 1.25 3.64 -1.01 0.36 116.57 121.08 2yqy h LYS 161 Ca 0.08 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.40 2yqy h LYS 161 Cb 0.14 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.78 2yqy h LYS 161 CO -0.18 0.46 0.17 0.00 -2.27 0.00 0.00 179.45 177.63 2yqy h ALA 162 N 1.46 0.54 0.05 5.00 0.00 -1.04 -0.61 119.26 124.68 2yqy h ALA 162 Ca 0.40 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 2yqy h ALA 162 Cb 0.41 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2yqy h ALA 162 CO -0.27 0.15 -0.03 -0.07 0.00 0.00 0.00 179.25 179.03 2yqy h LEU 163 N 0.53 -0.06 -1.15 0.00 3.38 -0.95 -2.65 115.31 114.41 2yqy h LEU 163 Ca 0.14 -0.04 0.11 0.00 0.09 0.00 0.00 57.88 58.17 2yqy h LEU 163 Cb 0.19 0.02 -0.07 0.00 0.09 0.00 0.00 40.66 40.88 2yqy h LEU 163 CO -0.01 0.00 0.59 1.56 0.09 0.00 0.00 178.44 180.68 2yqy h GLN 164 N -0.12 0.88 0.00 1.13 4.20 -0.85 -0.65 115.11 119.71 2yqy h GLN 164 Ca -0.01 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.64 2yqy h GLN 164 Cb 0.10 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 27.68 2yqy h GLN 164 CO 0.01 0.58 -0.03 0.00 -0.67 0.00 0.00 178.83 178.73 2yqy h ALA 165 N 1.55 1.05 -0.02 3.87 0.00 -0.85 -3.51 119.26 121.35 2yqy h ALA 165 Ca 0.44 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.32 2yqy h ALA 165 Cb 0.44 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2yqy h ALA 165 CO -0.20 0.03 0.00 0.43 0.00 0.00 0.00 179.25 179.51