#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fy7 s HIS -15 N 0.00 3.29 0.18 1.57 5.04 -1.26 -3.34 115.29 120.77 3fy7 s HIS -15 Ca 0.00 -1.50 -0.25 0.00 -1.54 0.00 0.00 55.06 51.77 3fy7 s HIS -15 Cb 0.00 -2.44 -0.08 0.00 0.04 0.00 0.00 32.58 30.10 3fy7 s HIS -15 CO 0.00 -0.76 0.79 -1.58 -2.34 0.00 0.00 174.74 170.84 3fy7 s HIS -14 N 1.39 3.88 -0.02 3.88 5.65 0.20 -4.97 115.29 125.30 3fy7 s HIS -14 Ca -0.00 1.63 0.04 0.00 0.25 0.00 0.00 55.06 56.98 3fy7 s HIS -14 Cb -0.20 -2.77 -0.01 0.00 -1.18 0.00 0.00 32.58 28.42 3fy7 s HIS -14 CO 0.02 0.49 -0.12 -1.58 -0.65 0.00 0.00 174.74 172.89 3fy7 s HIS -13 N -1.20 1.18 -0.15 3.88 2.46 -1.26 -0.45 115.29 119.74 3fy7 s HIS -13 Ca 0.37 -0.26 -0.05 0.00 0.47 0.00 0.00 55.06 55.59 3fy7 s HIS -13 Cb -0.23 -0.79 0.08 0.00 -0.13 0.00 0.00 32.58 31.51 3fy7 s HIS -13 CO 0.26 -0.06 0.29 -1.58 -2.47 0.00 0.00 174.74 171.17 3fy7 s HIS -12 N -0.11 -0.48 -0.44 3.88 5.65 -0.27 -4.94 115.29 118.57 3fy7 s HIS -12 Ca 0.01 0.95 0.05 0.00 0.25 0.00 0.00 55.06 56.32 3fy7 s HIS -12 Cb -0.07 -0.03 0.42 0.00 -1.18 0.00 0.00 32.58 31.73 3fy7 s HIS -12 CO 0.00 -0.42 1.19 0.43 -0.65 0.00 0.00 174.74 175.29 3fy7 n SER -11 N 5.35 4.95 0.00 9.88 7.64 -1.26 -2.79 113.62 137.38 3fy7 n SER -11 Ca -0.06 -3.73 0.00 0.00 1.01 0.00 0.00 58.87 56.09 3fy7 n SER -11 Cb 0.50 -0.48 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 3fy7 n SER -11 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3fy7 n LYS 5 N -0.53 0.00 -4.88 1.43 5.02 -1.26 -5.02 118.16 112.92 3fy7 n LYS 5 Ca 0.41 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 56.37 3fy7 n LYS 5 Cb 0.69 0.00 -0.15 0.00 -0.02 0.00 0.00 35.03 35.55 3fy7 n LYS 5 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3fy7 s LEU 6 N -0.59 2.58 -0.10 -0.35 1.43 -1.26 -2.11 118.68 118.29 3fy7 s LEU 6 Ca 0.00 -0.37 -0.01 0.00 -1.03 0.00 0.00 54.13 52.72 3fy7 s LEU 6 Cb 0.00 -1.56 0.03 0.00 0.03 0.00 0.00 46.19 44.69 3fy7 s LEU 6 CO 0.00 0.18 -0.03 -1.58 0.23 0.00 0.00 176.35 175.15 3fy7 s GLN 7 N 0.28 1.00 -0.25 1.70 0.74 -0.48 -0.46 119.66 122.20 3fy7 s GLN 7 Ca -0.11 -0.11 -0.07 0.00 0.05 0.00 0.00 55.36 55.12 3fy7 s GLN 7 Cb -0.16 -1.35 -0.03 0.00 1.10 0.00 0.00 33.01 32.57 3fy7 s GLN 7 CO 0.06 -0.32 0.06 -1.17 -0.55 0.00 0.00 175.29 173.37 3fy7 s LEU 8 N 1.85 3.40 -0.14 3.68 2.96 0.06 -0.05 118.68 130.44 3fy7 s LEU 8 Ca 0.04 -0.22 -0.18 0.00 -0.22 0.00 0.00 54.13 53.55 3fy7 s LEU 8 Cb -0.13 -1.91 -0.04 0.00 0.50 0.00 0.00 46.19 44.61 3fy7 s LEU 8 CO -0.07 -0.04 0.49 -0.36 -1.32 0.00 0.00 176.35 175.06 3fy7 s PHE 9 N 1.60 3.48 0.09 5.38 0.40 -0.19 -0.34 117.98 128.39 3fy7 s PHE 9 Ca 0.06 0.86 0.00 0.00 -0.60 0.00 0.00 56.93 57.25 3fy7 s PHE 9 Cb -0.15 -2.58 -0.04 0.00 0.51 0.00 0.00 43.02 40.75 3fy7 s PHE 9 CO 0.03 0.10 -0.02 0.14 0.70 0.00 0.00 175.22 176.16 3fy7 s VAL 10 N 0.89 0.39 0.21 -0.44 -7.23 -0.17 -2.52 120.40 111.52 3fy7 s VAL 10 Ca 0.26 -1.88 -0.31 0.00 -1.81 0.00 0.00 61.98 58.24 3fy7 s VAL 10 Cb -0.15 -1.70 -0.11 0.00 0.56 0.00 0.00 36.38 34.98 3fy7 s VAL 10 CO 0.10 -0.83 1.57 -0.75 -0.31 0.00 0.00 175.10 174.87 3fy7 s LYS 11 N -3.91 4.20 0.48 4.82 2.47 -1.26 -0.51 119.74 126.02 3fy7 s LYS 11 Ca 0.13 2.42 -0.03 0.00 -1.56 0.00 0.00 55.97 56.92 3fy7 s LYS 11 Cb 0.07 -3.11 -0.01 0.00 -1.46 0.00 0.00 37.83 33.31 3fy7 s LYS 11 CO -0.05 -0.59 0.75 0.00 0.16 0.00 0.00 175.35 175.62 3fy7 s ALA 12 N 0.71 3.53 1.17 3.13 0.00 -0.43 -0.58 121.76 129.29 3fy7 s ALA 12 Ca 0.67 -0.79 -0.15 0.00 0.00 0.00 0.00 51.96 51.70 3fy7 s ALA 12 Cb -0.45 -2.39 0.28 0.00 0.00 0.00 0.00 23.12 20.56 3fy7 s ALA 12 CO 0.37 -0.44 1.04 -1.54 0.00 0.00 0.00 175.76 175.18 3fy7 s SER 13 N -4.19 1.02 0.13 0.00 1.04 0.14 -3.35 113.70 108.49 3fy7 s SER 13 Ca 0.48 1.23 -0.18 0.00 0.48 0.00 0.00 55.95 57.96 3fy7 s SER 13 Cb -0.10 -1.88 -0.03 0.00 0.10 0.00 0.00 66.02 64.11 3fy7 s SER 13 CO 0.42 -4.13 1.78 -0.08 0.98 0.00 0.00 173.24 172.20 3fy7 h GLU 14 N -2.58 0.32 0.00 4.02 4.81 -1.90 -2.04 114.58 117.21 3fy7 h GLU 14 Ca -0.57 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.65 3fy7 h GLU 14 Cb 1.33 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.64 3fy7 h GLU 14 CO 0.48 0.21 0.00 -0.40 -0.73 0.00 0.00 179.01 178.58 3fy7 n ASP 15 N -4.93 0.00 0.00 1.04 3.85 -1.26 -4.91 116.55 110.34 3fy7 n ASP 15 Ca -0.02 0.42 0.00 0.00 -0.71 0.00 0.00 54.79 54.48 3fy7 n ASP 15 Cb 0.04 -0.47 0.00 0.00 -1.35 0.00 0.00 41.12 39.34 3fy7 n ASP 15 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3fy7 n GLY 16 N 0.98 1.02 0.02 6.12 0.00 -0.77 -4.93 105.19 107.63 3fy7 n GLY 16 Ca 0.07 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.21 3fy7 n GLY 16 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3fy7 n GLU 17 N -2.00 0.08 -0.35 1.61 -0.58 -1.26 -4.77 120.64 113.37 3fy7 n GLU 17 Ca 0.00 0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.76 3fy7 n GLU 17 Cb 0.00 -1.54 0.00 0.00 -0.57 0.00 0.00 31.44 29.33 3fy7 n GLU 17 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 3fy7 n SER 18 N -1.65 0.00 -4.78 1.62 3.41 -1.26 -5.02 113.62 105.93 3fy7 n SER 18 Ca 0.05 -0.25 -0.37 0.00 -0.26 0.00 0.00 58.87 58.04 3fy7 n SER 18 Cb 0.36 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.26 3fy7 n SER 18 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 3fy7 s VAL 19 N -2.26 4.06 0.00 -3.33 -7.23 -1.26 0.23 120.40 110.60 3fy7 s VAL 19 Ca 0.00 1.67 0.00 0.00 -1.81 0.00 0.00 61.98 61.84 3fy7 s VAL 19 Cb 0.00 -3.91 0.00 0.00 0.56 0.00 0.00 36.38 33.03 3fy7 s VAL 19 CO 0.00 0.10 0.00 0.61 -0.31 0.00 0.00 175.10 175.50 3fy7 n GLY 20 N 0.49 2.19 3.77 2.32 0.00 0.25 -3.65 105.19 110.55 3fy7 n GLY 20 Ca 0.03 -2.12 -0.41 0.00 0.00 0.00 0.00 46.02 43.52 3fy7 n GLY 20 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3fy7 s HIS 21 N 1.04 3.13 0.00 1.61 5.65 -1.26 -4.73 115.29 120.72 3fy7 s HIS 21 Ca 0.00 1.44 0.00 0.00 0.25 0.00 0.00 55.06 56.75 3fy7 s HIS 21 Cb 0.00 -3.63 0.00 0.00 -1.18 0.00 0.00 32.58 27.77 3fy7 s HIS 21 CO 0.00 -1.70 0.00 0.00 -0.65 0.00 0.00 174.74 172.39 3fy7 h PRO 23 N 0.00 0.00 -0.14 0.00 0.13 -1.92 -2.11 132.00 127.96 3fy7 h PRO 23 Ca 0.00 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.93 3fy7 h PRO 23 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3fy7 h PRO 23 CO 0.00 0.06 -0.71 0.77 -0.23 0.00 0.00 178.00 177.88 3fy7 h SER 24 N 0.00 0.75 -0.44 1.44 0.02 -1.95 -2.14 113.55 111.23 3fy7 h SER 24 Ca -0.00 -0.47 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 3fy7 h SER 24 Cb 0.10 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.40 3fy7 h SER 24 CO 0.01 1.24 0.28 0.00 -1.14 0.00 0.00 176.83 177.22 3fy7 h GLN 26 N 0.59 0.87 -0.35 0.00 4.15 -1.37 -0.23 115.11 118.76 3fy7 h GLN 26 Ca 0.16 -0.18 0.08 0.00 0.77 0.00 0.00 58.65 59.47 3fy7 h GLN 26 Cb -0.04 -0.13 -0.08 0.00 0.21 0.00 0.00 27.48 27.44 3fy7 h GLN 26 CO -0.03 0.79 -0.25 -0.09 -1.93 0.00 0.00 178.83 177.31 3fy7 h ARG 27 N 0.79 -0.20 -0.02 1.69 2.43 -1.12 0.33 114.38 118.28 3fy7 h ARG 27 Ca 0.18 0.01 -0.21 0.00 -0.81 0.00 0.00 59.98 59.16 3fy7 h ARG 27 Cb 0.27 0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.86 3fy7 h ARG 27 CO -0.01 -0.13 -0.87 -0.07 -1.51 0.00 0.00 179.97 177.38 3fy7 h LEU 28 N -0.21 0.45 -0.78 3.80 3.38 -1.22 -1.88 115.31 118.86 3fy7 h LEU 28 Ca 0.17 -0.34 0.08 0.00 0.09 0.00 0.00 57.88 57.88 3fy7 h LEU 28 Cb 0.48 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 41.03 3fy7 h LEU 28 CO -0.47 1.13 0.45 0.15 0.09 0.00 0.00 178.44 179.78 3fy7 h PHE 29 N 0.21 0.82 -0.44 1.13 -0.00 -0.75 -0.49 116.94 117.42 3fy7 h PHE 29 Ca -0.06 0.03 -0.06 0.00 -0.00 0.00 0.00 57.97 57.88 3fy7 h PHE 29 Cb 1.49 -0.25 -0.02 0.00 -0.00 0.00 0.00 35.95 37.17 3fy7 h PHE 29 CO 0.05 0.37 0.03 0.52 -0.00 0.00 0.00 178.31 179.27 3fy7 h MET 30 N 0.79 0.75 -0.71 1.11 2.86 -0.14 -2.48 114.93 117.11 3fy7 h MET 30 Ca 0.36 -0.23 -0.02 0.00 -2.06 0.00 0.00 59.70 57.76 3fy7 h MET 30 Cb 0.26 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.82 3fy7 h MET 30 CO -0.21 0.81 0.38 0.28 1.06 0.00 0.00 176.91 179.23 3fy7 h VAL 31 N 0.60 1.22 -0.61 -2.22 2.07 -0.78 -0.12 116.25 116.41 3fy7 h VAL 31 Ca 0.13 -0.57 -0.02 0.00 0.82 0.00 0.00 66.70 67.06 3fy7 h VAL 31 Cb 0.45 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 3fy7 h VAL 31 CO 0.02 0.25 0.31 -0.07 0.02 0.00 0.00 177.57 178.09 3fy7 h LEU 32 N 0.98 0.78 -0.11 2.57 3.38 -1.06 -1.65 115.31 120.21 3fy7 h LEU 32 Ca 0.25 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 3fy7 h LEU 32 Cb 0.05 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 3fy7 h LEU 32 CO -0.04 0.68 0.02 -0.07 0.09 0.00 0.00 178.44 179.12 3fy7 h LEU 33 N 0.83 0.17 -1.95 1.67 3.38 -1.14 -3.00 115.31 115.27 3fy7 h LEU 33 Ca 0.21 -0.26 0.08 0.00 0.09 0.00 0.00 57.88 58.01 3fy7 h LEU 33 Cb 0.09 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3fy7 h LEU 33 CO -0.03 0.39 0.24 -0.07 0.09 0.00 0.00 178.44 179.05 3fy7 h LEU 34 N -0.06 0.05 -0.80 1.67 3.38 -0.93 0.11 115.31 118.74 3fy7 h LEU 34 Ca 0.03 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 3fy7 h LEU 34 Cb 0.29 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 3fy7 h LEU 34 CO 0.00 0.03 -0.23 0.11 0.09 0.00 0.00 178.44 178.45 3fy7 h LYS 35 N 0.06 0.00 -3.02 1.13 1.79 -1.18 -3.44 116.57 111.91 3fy7 h LYS 35 Ca 0.16 0.00 -0.34 0.00 -2.18 0.00 0.00 60.65 58.29 3fy7 h LYS 35 Cb 0.54 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.21 3fy7 h LYS 35 CO -0.01 0.23 -0.46 0.41 -1.08 0.00 0.00 179.45 178.53 3fy7 n GLY 36 N 0.46 -0.32 3.82 3.86 0.00 0.39 -4.41 105.19 108.99 3fy7 n GLY 36 Ca 0.01 -0.11 -0.37 0.00 0.00 0.00 0.00 46.02 45.55 3fy7 n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fy7 s VAL 37 N -2.95 5.24 0.20 1.61 0.11 -1.23 -4.86 120.40 118.53 3fy7 s VAL 37 Ca 0.11 0.58 -0.32 0.00 -2.93 0.00 0.00 61.98 59.43 3fy7 s VAL 37 Cb -0.05 -3.60 -0.11 0.00 -1.53 0.00 0.00 36.38 31.09 3fy7 s VAL 37 CO 0.14 0.54 1.66 -2.16 -3.33 0.00 0.00 175.10 171.95 3fy7 s PRO 38 N -0.65 4.15 0.14 1.54 0.04 -1.26 -4.84 135.00 134.13 3fy7 s PRO 38 Ca 0.19 2.53 -0.15 0.00 0.04 0.00 0.00 61.00 63.62 3fy7 s PRO 38 Cb -0.14 -3.09 0.03 0.00 0.04 0.00 0.00 34.50 31.33 3fy7 s PRO 38 CO 0.08 -0.70 0.40 -0.59 0.04 0.00 0.00 177.00 176.23 3fy7 s PHE 39 N 1.04 -0.09 -0.17 0.56 -0.12 -1.21 -4.53 117.98 113.45 3fy7 s PHE 39 Ca 0.72 -0.25 -0.07 0.00 -0.05 0.00 0.00 56.93 57.28 3fy7 s PHE 39 Cb -0.48 0.23 -0.04 0.00 -0.63 0.00 0.00 43.02 42.10 3fy7 s PHE 39 CO 0.33 -0.74 0.06 0.99 -0.05 0.00 0.00 175.22 175.82 3fy7 s THR 40 N -3.84 4.78 -0.23 -4.49 2.01 0.40 -0.63 115.64 113.64 3fy7 s THR 40 Ca 0.06 -0.04 -0.07 0.00 0.31 0.00 0.00 61.69 61.95 3fy7 s THR 40 Cb 0.02 -3.14 -0.03 0.00 0.01 0.00 0.00 72.50 69.36 3fy7 s THR 40 CO -0.09 0.48 0.06 -0.22 -0.69 0.00 0.00 174.62 174.16 3fy7 s LEU 41 N 0.20 3.47 -0.22 4.42 2.96 0.40 -0.76 118.68 129.16 3fy7 s LEU 41 Ca 0.04 -0.16 -0.02 0.00 -0.22 0.00 0.00 54.13 53.77 3fy7 s LEU 41 Cb -0.12 -1.92 0.01 0.00 0.50 0.00 0.00 46.19 44.66 3fy7 s LEU 41 CO 0.00 0.02 -0.09 -0.89 -1.32 0.00 0.00 176.35 174.07 3fy7 s THR 42 N 1.32 2.90 0.37 3.68 2.01 0.53 -1.12 115.64 125.33 3fy7 s THR 42 Ca 0.05 -0.76 -0.10 0.00 0.31 0.00 0.00 61.69 61.19 3fy7 s THR 42 Cb -0.15 -2.35 -0.07 0.00 0.01 0.00 0.00 72.50 69.95 3fy7 s THR 42 CO 0.03 0.39 0.73 0.42 -0.69 0.00 0.00 174.62 175.50 3fy7 s THR 43 N 1.39 4.81 -0.08 -0.82 -4.23 -1.12 -1.00 115.64 114.58 3fy7 s THR 43 Ca 0.04 0.59 -0.01 0.00 -1.18 0.00 0.00 61.69 61.13 3fy7 s THR 43 Cb -0.15 -3.71 0.03 0.00 1.34 0.00 0.00 72.50 70.01 3fy7 s THR 43 CO -0.06 -0.43 -0.03 -0.69 -0.54 0.00 0.00 174.62 172.87 3fy7 s VAL 44 N -2.26 0.61 -1.72 2.29 1.01 0.33 -4.81 120.40 115.86 3fy7 s VAL 44 Ca 0.51 -0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.45 3fy7 s VAL 44 Cb -0.10 -0.71 0.00 0.00 0.00 0.00 0.00 36.38 35.56 3fy7 s VAL 44 CO 0.29 0.30 0.41 0.47 0.00 0.00 0.00 175.10 176.57 3fy7 n ASP 45 N 5.00 0.14 -0.52 3.32 10.43 -1.26 -1.31 116.55 132.35 3fy7 n ASP 45 Ca -0.10 -0.97 0.41 0.00 2.57 0.00 0.00 54.79 56.70 3fy7 n ASP 45 Cb 0.50 -0.07 0.65 0.00 1.84 0.00 0.00 41.12 44.04 3fy7 n ASP 45 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3fy7 n GLY 59 N 0.06 -0.80 3.30 0.44 0.00 -1.26 -5.03 105.19 101.91 3fy7 n GLY 59 Ca 0.00 0.62 -0.32 0.00 0.00 0.00 0.00 46.02 46.32 3fy7 n GLY 59 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3fy7 n SER 60 N -4.00 -2.30 -3.66 1.61 7.64 -1.26 -5.07 113.62 106.59 3fy7 n SER 60 Ca 0.37 -0.11 -0.12 0.00 1.01 0.00 0.00 58.87 60.02 3fy7 n SER 60 Cb 1.57 -1.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.71 3fy7 n SER 60 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 3fy7 s GLN 61 N -3.55 0.96 0.48 1.43 -0.21 -1.26 -5.16 119.66 112.34 3fy7 s GLN 61 Ca 0.57 -0.44 -0.21 0.00 0.02 0.00 0.00 55.36 55.30 3fy7 s GLN 61 Cb -0.14 0.43 -0.08 0.00 1.00 0.00 0.00 33.01 34.22 3fy7 s GLN 61 CO 0.66 -0.34 1.07 -0.51 -2.12 0.00 0.00 175.29 174.05 3fy7 s LEU 62 N -2.18 3.91 0.61 2.90 1.43 -1.26 -4.32 118.68 119.77 3fy7 s LEU 62 Ca -0.03 2.05 -0.13 0.00 -1.03 0.00 0.00 54.13 54.98 3fy7 s LEU 62 Cb -0.00 -4.45 -0.03 0.00 0.03 0.00 0.00 46.19 41.73 3fy7 s LEU 62 CO -0.04 -0.82 1.03 -2.16 0.23 0.00 0.00 176.35 174.59 3fy7 s PRO 63 N -3.03 3.42 -0.04 1.29 0.04 -1.26 -4.84 135.00 130.58 3fy7 s PRO 63 Ca 0.66 0.97 0.03 0.00 0.04 0.00 0.00 61.00 62.71 3fy7 s PRO 63 Cb -0.20 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.28 3fy7 s PRO 63 CO 0.25 -0.71 -0.13 0.42 0.04 0.00 0.00 177.00 176.86 3fy7 s ILE 64 N -2.83 1.13 -0.17 0.56 1.01 -1.05 -4.76 121.20 115.10 3fy7 s ILE 64 Ca 0.59 -0.55 -0.08 0.00 0.00 0.00 0.00 60.65 60.61 3fy7 s ILE 64 Cb -0.13 -0.99 -0.04 0.00 0.01 0.00 0.00 42.46 41.31 3fy7 s ILE 64 CO 0.45 0.34 0.10 -0.22 0.00 0.00 0.00 174.94 175.60 3fy7 s LEU 65 N 0.15 4.04 -0.26 2.97 2.96 -0.26 -1.03 118.68 127.26 3fy7 s LEU 65 Ca -0.04 0.21 -0.08 0.00 -0.22 0.00 0.00 54.13 54.00 3fy7 s LEU 65 Cb -0.11 -2.02 -0.03 0.00 0.50 0.00 0.00 46.19 44.53 3fy7 s LEU 65 CO 0.02 0.24 0.10 -0.22 -1.32 0.00 0.00 176.35 175.17 3fy7 s LEU 66 N 0.00 3.61 -0.28 -0.68 2.96 0.93 -0.04 118.68 125.16 3fy7 s LEU 66 Ca 0.08 -0.15 -0.05 0.00 -0.22 0.00 0.00 54.13 53.79 3fy7 s LEU 66 Cb -0.12 -1.98 0.02 0.00 0.50 0.00 0.00 46.19 44.62 3fy7 s LEU 66 CO 0.00 -0.04 0.03 -0.47 -1.32 0.00 0.00 176.35 174.55 3fy7 s TYR 67 N 1.66 3.14 0.00 5.38 5.04 0.12 -1.38 117.35 131.31 3fy7 s TYR 67 Ca 0.07 -1.28 0.00 0.00 -2.44 0.00 0.00 57.07 53.41 3fy7 s TYR 67 Cb -0.15 -2.18 0.00 0.00 0.35 0.00 0.00 41.96 39.98 3fy7 s TYR 67 CO 0.06 -0.66 0.00 -0.25 -1.34 0.00 0.00 175.55 173.36 3fy7 n ASP 68 N 4.78 0.00 -0.73 4.32 8.00 -0.90 0.16 116.55 132.18 3fy7 n ASP 68 Ca -0.15 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.48 3fy7 n ASP 68 Cb 0.47 0.00 0.32 0.00 -0.02 0.00 0.00 41.12 41.89 3fy7 n ASP 68 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3fy7 n SER 69 N 5.82 2.26 -4.58 -2.24 3.41 -1.26 -4.92 113.62 112.10 3fy7 n SER 69 Ca 0.00 -1.76 -0.39 0.00 -0.26 0.00 0.00 58.87 56.46 3fy7 n SER 69 Cb 0.00 -0.05 -0.10 0.00 -0.26 0.00 0.00 64.21 63.80 3fy7 n SER 69 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3fy7 s ASP 70 N -1.86 6.17 -0.16 4.04 -0.00 0.43 -5.05 116.67 120.24 3fy7 s ASP 70 Ca 0.34 0.04 -0.17 0.00 -0.00 0.00 0.00 52.55 52.76 3fy7 s ASP 70 Cb 0.20 -2.18 -0.04 0.00 -0.00 0.00 0.00 42.92 40.90 3fy7 s ASP 70 CO 0.31 -0.20 0.45 0.00 -0.00 0.00 0.00 175.17 175.73 3fy7 s ALA 71 N 1.97 3.52 -0.18 5.23 0.00 -1.26 0.11 121.76 131.14 3fy7 s ALA 71 Ca 0.12 -0.33 -0.02 0.00 0.00 0.00 0.00 51.96 51.73 3fy7 s ALA 71 Cb -0.16 -2.65 -0.01 0.00 0.00 0.00 0.00 23.12 20.31 3fy7 s ALA 71 CO 0.11 -0.14 -0.10 0.15 0.00 0.00 0.00 175.76 175.78 3fy7 s LYS 72 N 0.95 3.31 -0.07 0.00 1.02 0.94 -4.99 119.74 120.90 3fy7 s LYS 72 Ca 0.23 -0.68 0.16 0.00 0.02 0.00 0.00 55.97 55.70 3fy7 s LYS 72 Cb -0.15 -2.80 -0.24 0.00 -0.52 0.00 0.00 37.83 34.13 3fy7 s LYS 72 CO 0.09 -0.05 0.25 -2.37 -0.92 0.00 0.00 175.35 172.35 3fy7 n THR 73 N 4.31 0.41 -3.38 2.17 5.66 -1.26 -1.10 114.28 121.08 3fy7 n THR 73 Ca -0.19 -0.50 -0.37 0.00 -3.05 0.00 0.00 64.05 59.94 3fy7 n THR 73 Cb 0.51 -0.15 -0.06 0.00 -1.55 0.00 0.00 70.33 69.08 3fy7 n THR 73 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 3fy7 s ASP 74 N -4.34 6.60 0.15 1.09 2.15 -1.26 -4.70 116.67 116.37 3fy7 s ASP 74 Ca -0.07 0.72 -0.20 0.00 0.43 0.00 0.00 52.55 53.43 3fy7 s ASP 74 Cb 0.09 -2.25 0.03 0.00 -0.30 0.00 0.00 42.92 40.48 3fy7 s ASP 74 CO 0.69 0.03 1.66 0.74 -0.17 0.00 0.00 175.17 178.11 3fy7 h THR 75 N 4.72 0.56 -0.58 1.71 2.02 -1.93 0.17 112.91 119.59 3fy7 h THR 75 Ca -0.41 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 66.73 3fy7 h THR 75 Cb 1.17 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 68.12 3fy7 h THR 75 CO 0.76 0.00 0.19 0.25 0.37 0.00 0.00 175.52 177.09 3fy7 h LEU 76 N -0.12 0.83 -0.68 2.58 5.85 -2.00 -1.34 115.31 120.43 3fy7 h LEU 76 Ca 0.14 -0.20 0.02 0.00 0.84 0.00 0.00 57.88 58.68 3fy7 h LEU 76 Cb 0.34 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 3fy7 h LEU 76 CO -0.33 0.80 0.44 -0.61 -0.34 0.00 0.00 178.44 178.40 3fy7 h GLN 77 N 0.80 0.86 -0.05 1.25 4.15 -1.81 -2.13 115.11 118.19 3fy7 h GLN 77 Ca 0.19 -0.05 -0.00 0.00 0.77 0.00 0.00 58.65 59.55 3fy7 h GLN 77 Cb 0.26 -0.19 -0.00 0.00 0.21 0.00 0.00 27.48 27.76 3fy7 h GLN 77 CO -0.01 0.57 0.01 0.82 -1.93 0.00 0.00 178.83 178.29 3fy7 h ILE 78 N 0.89 1.17 -0.39 2.39 2.04 -0.39 -1.81 117.51 121.39 3fy7 h ILE 78 Ca 0.26 -0.51 0.04 0.00 1.00 0.00 0.00 64.86 65.65 3fy7 h ILE 78 Cb -0.05 1.43 -0.04 0.00 -0.74 0.00 0.00 36.82 37.42 3fy7 h ILE 78 CO -0.08 0.14 0.16 -0.08 0.00 0.00 0.00 178.15 178.29 3fy7 h GLU 79 N -0.12 0.33 -0.23 2.37 4.81 -1.06 0.70 114.58 121.38 3fy7 h GLU 79 Ca 0.01 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.14 3fy7 h GLU 79 Cb 0.21 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 3fy7 h GLU 79 CO -0.00 0.22 -0.22 -0.44 -0.73 0.00 0.00 179.01 177.84 3fy7 h ASP 80 N 0.34 0.41 0.33 1.04 3.32 -1.40 -1.07 116.42 119.39 3fy7 h ASP 80 Ca 0.18 -0.12 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 3fy7 h ASP 80 Cb 0.13 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.57 3fy7 h ASP 80 CO -0.16 0.64 -0.16 0.15 -1.72 0.00 0.00 179.24 177.99 3fy7 h PHE 81 N 0.37 -0.41 -0.04 4.55 3.57 -0.41 -0.52 116.94 124.05 3fy7 h PHE 81 Ca 0.06 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.57 3fy7 h PHE 81 Cb 0.60 0.14 -0.03 0.00 2.79 0.00 0.00 35.95 39.45 3fy7 h PHE 81 CO 0.02 -0.25 -0.09 -0.07 -2.23 0.00 0.00 178.31 175.69 3fy7 h LEU 82 N -0.46 -0.28 -0.83 0.59 3.38 -0.65 0.23 115.31 117.29 3fy7 h LEU 82 Ca -0.05 0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.02 3fy7 h LEU 82 Cb 0.35 0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.17 3fy7 h LEU 82 CO 0.07 -0.13 0.52 -0.08 0.09 0.00 0.00 178.44 178.91 3fy7 h GLU 83 N -0.14 0.95 0.14 1.13 4.57 -1.16 0.99 114.58 121.05 3fy7 h GLU 83 Ca 0.05 -0.06 -0.28 0.00 -1.18 0.00 0.00 59.36 57.89 3fy7 h GLU 83 Cb 0.21 -0.21 0.01 0.00 -0.16 0.00 0.00 28.75 28.59 3fy7 h GLU 83 CO -0.13 0.63 -1.28 1.49 -1.18 0.00 0.00 179.01 178.54 3fy7 h GLU 84 N 0.98 0.29 0.00 1.92 4.81 -0.71 -3.35 114.58 118.53 3fy7 h GLU 84 Ca 0.35 -0.50 0.00 0.00 -0.13 0.00 0.00 59.36 59.07 3fy7 h GLU 84 Cb 0.09 0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.66 3fy7 h GLU 84 CO -0.14 1.24 -0.79 0.25 -0.73 0.00 0.00 179.01 178.84 3fy7 n THR 85 N -3.54 0.30 -3.91 0.32 -2.24 0.77 -4.59 114.28 101.39 3fy7 n THR 85 Ca -0.10 -0.27 -0.30 0.00 -2.27 0.00 0.00 64.05 61.11 3fy7 n THR 85 Cb 1.03 -0.02 -0.14 0.00 -2.10 0.00 0.00 70.33 69.10 3fy7 n THR 85 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3fy7 s LEU 86 N -4.16 4.01 0.00 3.22 1.43 0.32 -5.06 118.68 118.44 3fy7 s LEU 86 Ca 0.05 -2.80 0.04 0.00 -1.03 0.00 0.00 54.13 50.39 3fy7 s LEU 86 Cb 0.14 -1.50 -0.01 0.00 0.03 0.00 0.00 46.19 44.84 3fy7 s LEU 86 CO 0.75 -0.26 0.23 0.61 0.23 0.00 0.00 176.35 177.91 3fy7 n GLY 87 N 3.38 3.04 3.43 -3.19 0.00 -1.26 -4.66 105.19 105.93 3fy7 n GLY 87 Ca 0.05 -1.75 -0.47 0.00 0.00 0.00 0.00 46.02 43.85 3fy7 n GLY 87 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3fy7 n PRO 88 N -0.43 0.28 0.00 1.61 -0.02 0.02 -3.32 135.00 133.13 3fy7 n PRO 88 Ca 0.04 0.10 0.09 0.00 -2.02 0.00 0.00 63.50 61.71 3fy7 n PRO 88 Cb 0.42 -1.18 0.02 0.00 -0.02 0.00 0.00 33.50 32.74 3fy7 n PRO 88 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3fy7 n PRO 89 N 0.95 1.58 0.13 0.52 -0.04 -1.26 -4.83 135.00 132.05 3fy7 n PRO 89 Ca 0.16 -1.05 0.12 0.00 -0.04 0.00 0.00 63.50 62.69 3fy7 n PRO 89 Cb 0.28 -1.33 0.19 0.00 -0.04 0.00 0.00 33.50 32.60 3fy7 n PRO 89 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3fy7 h ASP 90 N 2.38 0.00 -3.98 3.54 3.45 -1.99 -3.45 116.42 116.37 3fy7 h ASP 90 Ca 0.00 -0.05 -0.22 0.00 0.43 0.00 0.00 57.03 57.19 3fy7 h ASP 90 Cb 0.64 0.00 -0.27 0.00 -0.56 0.00 0.00 39.33 39.14 3fy7 h ASP 90 CO 0.00 0.02 -0.71 -0.36 -1.57 0.00 0.00 179.24 176.62 3fy7 s PHE 91 N -3.21 0.05 0.56 4.55 0.40 -1.21 -4.99 117.98 114.13 3fy7 s PHE 91 Ca 0.06 -0.10 -0.17 0.00 -0.60 0.00 0.00 56.93 56.12 3fy7 s PHE 91 Cb 0.10 -0.04 -0.05 0.00 0.51 0.00 0.00 43.02 43.53 3fy7 s PHE 91 CO 0.69 -0.04 1.04 -1.25 0.70 0.00 0.00 175.22 176.36 3fy7 s PRO 92 N -0.29 3.54 0.22 0.24 0.04 -1.26 -0.80 135.00 136.68 3fy7 s PRO 92 Ca -0.03 1.18 -0.25 0.00 0.04 0.00 0.00 61.00 61.93 3fy7 s PRO 92 Cb -0.02 -2.07 -0.09 0.00 0.04 0.00 0.00 34.50 32.37 3fy7 s PRO 92 CO -0.00 -0.62 0.83 0.45 0.04 0.00 0.00 177.00 177.69 3fy7 s SER 93 N -2.69 7.38 0.00 6.66 0.15 -1.26 -4.72 113.70 119.22 3fy7 s SER 93 Ca 0.63 1.70 0.05 0.00 0.70 0.00 0.00 55.95 59.03 3fy7 s SER 93 Cb -0.15 -2.52 0.05 0.00 -1.71 0.00 0.00 66.02 61.69 3fy7 s SER 93 CO 0.32 0.13 0.71 0.18 1.20 0.00 0.00 173.24 175.78 3fy7 n LEU 94 N 1.26 1.53 -4.74 3.45 4.77 -1.26 -5.02 117.00 116.99 3fy7 n LEU 94 Ca -0.03 -1.12 -0.42 0.00 -0.03 0.00 0.00 56.01 54.41 3fy7 n LEU 94 Cb 0.49 -0.01 -0.02 0.00 -2.33 0.00 0.00 43.42 41.54 3fy7 n LEU 94 CO 0.46 0.34 1.27 0.00 -1.33 0.00 0.00 177.39 178.13 3fy7 s ALA 95 N -0.48 3.80 0.79 -1.18 0.00 -1.26 -1.58 121.76 121.85 3fy7 s ALA 95 Ca 0.06 1.53 -0.12 0.00 0.00 0.00 0.00 51.96 53.43 3fy7 s ALA 95 Cb 0.04 -3.65 0.07 0.00 0.00 0.00 0.00 23.12 19.58 3fy7 s ALA 95 CO 0.06 -0.92 1.14 -2.14 0.00 0.00 0.00 175.76 173.90 3fy7 s PRO 96 N 0.18 1.92 0.00 0.00 0.02 -1.26 -4.92 135.00 130.94 3fy7 s PRO 96 Ca 0.67 1.47 0.22 0.00 0.02 0.00 0.00 61.00 63.38 3fy7 s PRO 96 Cb -0.47 -1.84 -0.09 0.00 0.02 0.00 0.00 34.50 32.12 3fy7 s PRO 96 CO 0.41 -1.94 1.00 2.89 -0.33 0.00 0.00 177.00 179.03 3fy7 n ARG 97 N -3.38 0.00 -3.88 5.54 1.85 -1.26 -4.85 116.66 110.69 3fy7 n ARG 97 Ca 0.11 -0.00 -0.35 0.00 -1.00 0.00 0.00 57.85 56.61 3fy7 n ARG 97 Cb 0.52 -1.50 -0.14 0.00 -1.05 0.00 0.00 32.46 30.29 3fy7 n ARG 97 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 3fy7 s TYR 98 N -3.00 3.02 0.27 2.89 2.02 -1.26 -4.99 117.35 116.30 3fy7 s TYR 98 Ca 0.09 -1.02 -0.06 0.00 -0.37 0.00 0.00 57.07 55.71 3fy7 s TYR 98 Cb 0.16 -2.14 0.50 0.00 -0.40 0.00 0.00 41.96 40.08 3fy7 s TYR 98 CO 0.84 -0.57 1.60 -0.09 -1.57 0.00 0.00 175.55 175.75 3fy7 h ARG 99 N 8.13 0.04 0.00 -0.62 2.43 -2.02 1.30 114.38 123.63 3fy7 h ARG 99 Ca -0.38 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 58.79 3fy7 h ARG 99 Cb 1.14 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.69 3fy7 h ARG 99 CO 0.60 0.02 -0.00 1.49 -1.51 0.00 0.00 179.97 180.57 3fy7 h GLU 100 N 0.04 0.00 -0.46 0.20 4.81 -2.00 -0.08 114.58 117.08 3fy7 h GLU 100 Ca 0.46 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.67 3fy7 h GLU 100 Cb 0.82 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.18 3fy7 h GLU 100 CO -0.82 0.00 0.19 0.77 -0.73 0.00 0.00 179.01 178.42 3fy7 h SER 101 N 0.00 0.60 0.63 1.04 0.02 0.14 -2.30 113.55 113.68 3fy7 h SER 101 Ca -0.00 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 3fy7 h SER 101 Cb 0.08 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.46 3fy7 h SER 101 CO 0.00 0.54 0.00 0.59 -1.14 0.00 0.00 176.83 176.82 3fy7 n ASN 102 N -4.36 0.11 0.00 3.07 5.03 -0.04 -3.91 115.26 115.15 3fy7 n ASN 102 Ca 0.03 0.52 0.00 0.00 0.87 0.00 0.00 54.58 56.01 3fy7 n ASN 102 Cb 0.15 -0.55 0.00 0.00 -1.02 0.00 0.00 39.78 38.36 3fy7 n ASN 102 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 3fy7 n THR 103 N -1.62 0.00 -1.70 3.41 -2.24 -0.91 -4.93 114.28 106.28 3fy7 n THR 103 Ca 0.04 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.38 3fy7 n THR 103 Cb 0.21 -0.15 -0.03 0.00 -2.10 0.00 0.00 70.33 68.26 3fy7 n THR 103 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3fy7 n ALA 104 N -1.67 2.15 -1.02 6.98 0.00 -0.92 -2.00 120.51 124.03 3fy7 n ALA 104 Ca 0.00 0.41 -0.01 0.00 0.00 0.00 0.00 53.44 53.84 3fy7 n ALA 104 Cb 0.21 -2.43 -0.00 0.00 0.00 0.00 0.00 19.45 17.23 3fy7 n ALA 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fy7 n GLY 105 N 3.24 0.46 0.00 0.00 0.00 -1.26 -4.93 105.19 102.70 3fy7 n GLY 105 Ca 0.14 -0.18 0.13 0.00 0.00 0.00 0.00 46.02 46.11 3fy7 n GLY 105 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3fy7 n ASN 106 N 0.17 0.00 -0.29 1.61 4.13 -0.85 -2.44 115.26 117.59 3fy7 n ASN 106 Ca -0.01 -0.46 0.04 0.00 1.68 0.00 0.00 54.58 55.83 3fy7 n ASN 106 Cb 0.08 -0.14 0.02 0.00 -1.54 0.00 0.00 39.78 38.21 3fy7 n ASN 106 CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 3fy7 n ASP 107 N -1.14 1.48 0.04 6.41 5.68 -1.26 -4.75 116.55 123.01 3fy7 n ASP 107 Ca 0.16 -1.24 -0.12 0.00 -0.50 0.00 0.00 54.79 53.09 3fy7 n ASP 107 Cb 0.14 0.20 -0.07 0.00 -1.14 0.00 0.00 41.12 40.25 3fy7 n ASP 107 CO 0.00 0.00 0.00 0.58 -1.33 0.00 0.00 177.20 176.45 3fy7 h VAL 108 N 1.43 1.01 -0.33 2.12 2.07 -1.81 -0.87 116.25 119.87 3fy7 h VAL 108 Ca 0.00 -0.05 -0.16 0.00 0.82 0.00 0.00 66.70 67.31 3fy7 h VAL 108 Cb 0.34 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 3fy7 h VAL 108 CO 0.00 0.01 -0.42 0.15 0.02 0.00 0.00 177.57 177.34 3fy7 h PHE 109 N -0.03 0.98 -0.67 1.57 3.57 -1.85 0.11 116.94 120.63 3fy7 h PHE 109 Ca -0.00 -0.30 0.02 0.00 3.53 0.00 0.00 57.97 61.21 3fy7 h PHE 109 Cb 0.02 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 38.52 3fy7 h PHE 109 CO -0.07 1.09 0.43 1.25 -2.23 0.00 0.00 178.31 178.78 3fy7 h HIS 110 N 0.66 0.82 -0.12 0.41 2.76 -1.85 -0.37 115.15 117.45 3fy7 h HIS 110 Ca 0.05 0.02 -0.13 0.00 -2.20 0.00 0.00 60.37 58.11 3fy7 h HIS 110 Cb 0.99 -0.27 -0.01 0.00 1.55 0.00 0.00 27.41 29.66 3fy7 h HIS 110 CO 0.06 0.50 -0.48 0.87 -1.30 0.00 0.00 177.93 177.57 3fy7 h LYS 111 N 0.87 0.31 0.22 5.26 1.79 -0.81 -1.87 116.57 122.33 3fy7 h LYS 111 Ca 0.25 -0.17 -0.01 0.00 -2.18 0.00 0.00 60.65 58.54 3fy7 h LYS 111 Cb -0.06 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.60 3fy7 h LYS 111 CO -0.07 0.73 -0.10 0.35 -1.08 0.00 0.00 179.45 179.27 3fy7 h PHE 112 N 0.25 -0.27 -0.40 -1.35 3.57 -0.74 -1.33 116.94 116.66 3fy7 h PHE 112 Ca 0.01 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.56 3fy7 h PHE 112 Cb 0.95 0.09 -0.05 0.00 2.79 0.00 0.00 35.95 39.73 3fy7 h PHE 112 CO 0.02 -0.08 0.11 0.77 -2.23 0.00 0.00 178.31 176.90 3fy7 h SER 113 N -0.40 0.08 -0.47 0.41 0.02 -0.96 0.24 113.55 112.47 3fy7 h SER 113 Ca -0.03 0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 3fy7 h SER 113 Cb 0.31 0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.88 3fy7 h SER 113 CO 0.05 0.08 0.28 0.00 -1.14 0.00 0.00 176.83 176.09 3fy7 h ALA 114 N 1.28 1.57 -0.13 3.77 0.00 -1.29 -1.21 119.26 123.26 3fy7 h ALA 114 Ca 0.19 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 3fy7 h ALA 114 Cb 0.20 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3fy7 h ALA 114 CO -0.22 0.37 -0.22 0.35 0.00 0.00 0.00 179.25 179.52 3fy7 h PHE 115 N 0.67 0.47 0.00 0.00 3.57 0.13 -3.11 116.94 118.67 3fy7 h PHE 115 Ca 0.18 -0.17 -0.03 0.00 3.53 0.00 0.00 57.97 61.48 3fy7 h PHE 115 Cb 0.00 -0.09 -0.00 0.00 2.79 0.00 0.00 35.95 38.65 3fy7 h PHE 115 CO 0.00 0.84 -0.12 0.97 -2.23 0.00 0.00 178.31 177.77 3fy7 h ILE 116 N -0.04 0.21 -0.49 1.41 6.09 -0.38 -3.19 117.51 121.13 3fy7 h ILE 116 Ca 0.01 -1.29 0.00 0.00 -1.37 0.00 0.00 64.86 62.21 3fy7 h ILE 116 Cb 0.80 2.09 0.00 0.00 0.47 0.00 0.00 36.82 40.19 3fy7 h ILE 116 CO 0.05 0.12 0.00 0.29 -3.07 0.00 0.00 178.15 175.54 3fy7 n LYS 117 N -3.13 2.57 -2.37 2.19 5.02 -0.48 -4.97 118.16 116.99 3fy7 n LYS 117 Ca 0.03 -2.39 -0.42 0.00 -2.02 0.00 0.00 58.31 53.51 3fy7 n LYS 117 Cb 0.57 -1.53 -0.03 0.00 -0.02 0.00 0.00 35.03 34.02 3fy7 n LYS 117 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3fy7 s ASN 118 N -1.35 7.03 0.00 4.39 2.47 -1.17 -4.95 114.94 121.35 3fy7 s ASN 118 Ca 0.42 2.09 0.19 0.00 0.42 0.00 0.00 52.86 55.98 3fy7 s ASN 118 Cb 0.24 -2.58 0.61 0.00 -1.45 0.00 0.00 41.25 38.07 3fy7 s ASN 118 CO 0.32 -0.50 1.47 -0.81 -3.72 0.00 0.00 177.10 173.86 3fy7 n PRO 119 N 3.86 1.90 -3.84 0.43 -0.04 -1.26 -4.79 135.00 131.27 3fy7 n PRO 119 Ca 0.09 -1.36 -0.30 0.00 -0.04 0.00 0.00 63.50 61.89 3fy7 n PRO 119 Cb 0.45 -1.40 -0.15 0.00 -0.04 0.00 0.00 33.50 32.36 3fy7 n PRO 119 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3fy7 s VAL 120 N -1.67 1.22 0.35 0.52 1.01 -1.26 -5.02 120.40 115.54 3fy7 s VAL 120 Ca 0.32 -1.37 0.13 0.00 0.00 0.00 0.00 61.98 61.06 3fy7 s VAL 120 Cb 0.18 -1.76 0.34 0.00 0.00 0.00 0.00 36.38 35.13 3fy7 s VAL 120 CO 0.25 -0.43 1.74 -0.65 0.00 0.00 0.00 175.10 176.01 3fy7 h PRO 121 N 8.00 0.49 -0.46 2.72 0.11 -2.02 0.55 132.00 141.39 3fy7 h PRO 121 Ca -0.14 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 65.99 3fy7 h PRO 121 Cb 1.05 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 32.02 3fy7 h PRO 121 CO 0.44 0.33 0.31 0.00 -0.21 0.00 0.00 178.00 178.87 3fy7 h ALA 122 N 1.69 1.86 0.00 -0.75 0.00 -2.00 -2.40 119.26 117.66 3fy7 h ALA 122 Ca 0.63 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.52 3fy7 h ALA 122 Cb 1.35 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3fy7 h ALA 122 CO -0.42 0.07 -0.25 1.04 0.00 0.00 0.00 179.25 179.70 3fy7 n GLN 123 N -4.48 0.02 -0.08 0.00 1.13 0.18 -4.30 117.38 109.85 3fy7 n GLN 123 Ca 0.06 0.01 -0.07 0.00 -1.94 0.00 0.00 57.00 55.05 3fy7 n GLN 123 Cb 0.20 -1.51 -0.00 0.00 0.11 0.00 0.00 30.24 29.03 3fy7 n GLN 123 CO 0.00 0.00 0.00 -0.44 -1.44 0.00 0.00 177.06 175.18 3fy7 h ASP 124 N 0.00 -0.72 -0.95 1.08 3.32 -1.44 -1.03 116.42 116.68 3fy7 h ASP 124 Ca 0.00 0.15 -0.00 0.00 0.02 0.00 0.00 57.03 57.19 3fy7 h ASP 124 Cb 0.51 0.36 -0.05 0.00 0.22 0.00 0.00 39.33 40.38 3fy7 h ASP 124 CO 0.00 -0.25 0.58 -0.08 -1.72 0.00 0.00 179.24 177.77 3fy7 h GLU 125 N -0.18 1.29 0.38 3.56 4.57 -1.79 0.66 114.58 123.06 3fy7 h GLU 125 Ca 0.16 -0.11 -0.00 0.00 -1.18 0.00 0.00 59.36 58.23 3fy7 h GLU 125 Cb 0.44 -0.27 -0.02 0.00 -0.16 0.00 0.00 28.75 28.73 3fy7 h GLU 125 CO -0.43 0.89 -0.40 0.00 -1.18 0.00 0.00 179.01 177.89 3fy7 h ALA 126 N 1.32 -0.87 -0.06 2.92 0.00 -1.58 0.17 119.26 121.16 3fy7 h ALA 126 Ca 0.34 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 3fy7 h ALA 126 Cb -0.07 0.59 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3fy7 h ALA 126 CO -0.07 -1.03 -0.09 -0.07 0.00 0.00 0.00 179.25 178.00 3fy7 h LEU 127 N -0.81 0.08 -0.15 0.00 3.38 -0.54 -2.53 115.31 114.74 3fy7 h LEU 127 Ca -0.03 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 3fy7 h LEU 127 Cb 0.73 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.46 3fy7 h LEU 127 CO -0.08 0.19 -0.10 0.22 0.09 0.00 0.00 178.44 178.75 3fy7 h TYR 128 N 0.09 0.40 -0.86 1.13 3.20 0.69 -2.57 116.97 119.05 3fy7 h TYR 128 Ca 0.02 -0.11 0.07 0.00 3.14 0.00 0.00 58.73 61.85 3fy7 h TYR 128 Cb 0.22 -0.09 -0.06 0.00 1.54 0.00 0.00 36.73 38.33 3fy7 h TYR 128 CO 0.00 0.69 0.53 1.96 -1.64 0.00 0.00 178.16 179.70 3fy7 h GLN 129 N -0.01 0.92 -0.51 1.82 1.08 -0.27 -0.23 115.11 117.92 3fy7 h GLN 129 Ca 0.03 -0.06 0.04 0.00 -1.45 0.00 0.00 58.65 57.21 3fy7 h GLN 129 Cb 0.60 -0.21 -0.04 0.00 -0.05 0.00 0.00 27.48 27.78 3fy7 h GLN 129 CO 0.03 0.61 0.27 1.96 -0.95 0.00 0.00 178.83 180.75 3fy7 h GLN 130 N 0.95 0.51 -0.57 1.46 4.20 -1.45 -0.52 115.11 119.69 3fy7 h GLN 130 Ca 0.38 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 59.06 3fy7 h GLN 130 Cb 0.21 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.84 3fy7 h GLN 130 CO -0.19 0.34 0.34 1.25 -0.67 0.00 0.00 178.83 179.91 3fy7 h LEU 131 N 0.53 0.69 -0.62 1.46 5.85 -0.85 -1.65 115.31 120.72 3fy7 h LEU 131 Ca 0.22 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.88 3fy7 h LEU 131 Cb 0.10 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 3fy7 h LEU 131 CO -0.14 0.55 0.38 -0.07 -0.34 0.00 0.00 178.44 178.81 3fy7 h LEU 132 N 0.77 0.75 -1.14 2.25 3.38 -0.88 -1.15 115.31 119.28 3fy7 h LEU 132 Ca 0.20 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 3fy7 h LEU 132 Cb -0.01 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 3fy7 h LEU 132 CO -0.04 0.59 0.33 -0.09 0.09 0.00 0.00 178.44 179.32 3fy7 h ARG 133 N 0.84 0.93 -0.24 1.13 9.65 -0.85 0.14 114.38 125.99 3fy7 h ARG 133 Ca 0.22 -0.12 -0.11 0.00 -1.10 0.00 0.00 59.98 58.88 3fy7 h ARG 133 Cb -0.02 -0.18 -0.01 0.00 -1.39 0.00 0.00 29.97 28.37 3fy7 h ARG 133 CO -0.04 0.71 -0.30 0.00 2.80 0.00 0.00 179.97 183.14 3fy7 h ALA 134 N 1.43 1.04 0.00 2.80 0.00 -0.89 -2.31 119.26 121.33 3fy7 h ALA 134 Ca 0.23 -0.37 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 3fy7 h ALA 134 Cb 0.08 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3fy7 h ALA 134 CO -0.03 0.58 -0.36 -0.07 0.00 0.00 0.00 179.25 179.37 3fy7 h LEU 135 N 0.42 0.00 0.05 0.00 3.38 -0.24 -2.59 115.31 116.34 3fy7 h LEU 135 Ca 0.05 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.76 3fy7 h LEU 135 Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 3fy7 h LEU 135 CO 0.06 0.36 -1.17 0.00 0.09 0.00 0.00 178.44 177.78 3fy7 h ALA 136 N 1.64 0.16 0.06 1.53 0.00 -0.43 -1.74 119.26 120.47 3fy7 h ALA 136 Ca -0.00 -0.85 -0.00 0.00 0.00 0.00 0.00 54.91 54.06 3fy7 h ALA 136 Cb 1.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3fy7 h ALA 136 CO 0.05 0.94 -0.03 0.00 0.00 0.00 0.00 179.25 180.21 3fy7 h ARG 137 N 0.10 -0.08 -0.80 0.00 3.08 -1.35 -1.13 114.38 114.21 3fy7 h ARG 137 Ca -0.12 0.01 0.14 0.00 0.07 0.00 0.00 59.98 60.07 3fy7 h ARG 137 Cb 1.88 0.02 -0.09 0.00 0.08 0.00 0.00 29.97 31.86 3fy7 h ARG 137 CO 0.19 0.12 0.38 1.25 -1.07 0.00 0.00 179.97 180.84 3fy7 h LEU 138 N -0.26 0.44 -0.64 3.04 5.85 -1.52 -2.25 115.31 119.97 3fy7 h LEU 138 Ca -0.01 0.09 0.02 0.00 0.84 0.00 0.00 57.88 58.83 3fy7 h LEU 138 Cb 0.23 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.25 3fy7 h LEU 138 CO 0.01 0.19 0.40 -0.78 -0.34 0.00 0.00 178.44 177.93 3fy7 h ASP 139 N 0.56 0.66 -0.84 1.25 3.58 -1.06 -1.61 116.42 118.96 3fy7 h ASP 139 Ca 0.43 -0.00 0.01 0.00 0.42 0.00 0.00 57.03 57.89 3fy7 h ASP 139 Cb 0.60 -0.15 -0.04 0.00 1.72 0.00 0.00 39.33 41.46 3fy7 h ASP 139 CO -0.36 0.46 0.56 0.28 -2.88 0.00 0.00 179.24 177.30 3fy7 h SER 140 N 0.79 0.95 -0.58 2.28 0.02 -0.65 -1.83 113.55 114.54 3fy7 h SER 140 Ca 0.25 -0.02 -0.08 0.00 -0.84 0.00 0.00 61.79 61.11 3fy7 h SER 140 Cb 0.00 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.29 3fy7 h SER 140 CO -0.09 0.68 0.06 0.22 -1.14 0.00 0.00 176.83 176.55 3fy7 h TYR 141 N 1.13 1.05 0.00 3.45 3.20 -0.94 -1.56 116.97 123.30 3fy7 h TYR 141 Ca 0.32 -0.16 0.00 0.00 3.14 0.00 0.00 58.73 62.02 3fy7 h TYR 141 Cb -0.10 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 37.89 3fy7 h TYR 141 CO -0.02 0.93 0.00 -0.07 -1.64 0.00 0.00 178.16 177.36 3fy7 h LEU 142 N 0.87 0.00 0.00 2.82 3.38 -0.76 -2.98 115.31 118.63 3fy7 h LEU 142 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3fy7 h LEU 142 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 3fy7 h LEU 142 CO 0.02 0.00 -1.07 0.54 0.09 0.00 0.00 178.44 178.02 3fy7 n ARG 143 N -3.05 0.63 -2.73 1.13 1.74 -0.74 -4.66 116.66 108.97 3fy7 n ARG 143 Ca 0.00 -0.03 -0.42 0.00 -0.77 0.00 0.00 57.85 56.63 3fy7 n ARG 143 Cb 0.27 -1.42 -0.03 0.00 -1.02 0.00 0.00 32.46 30.26 3fy7 n ARG 143 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3fy7 s ALA 144 N -2.91 3.50 0.36 7.54 0.00 -0.61 -0.59 121.76 129.05 3fy7 s ALA 144 Ca 0.05 0.24 -0.28 0.00 0.00 0.00 0.00 51.96 51.96 3fy7 s ALA 144 Cb 0.14 -3.41 -0.12 0.00 0.00 0.00 0.00 23.12 19.74 3fy7 s ALA 144 CO 0.80 -0.73 1.42 -2.30 0.00 0.00 0.00 175.76 174.95 3fy7 n PRO 145 N 5.39 2.46 -2.93 0.00 -0.02 -1.26 -4.65 135.00 133.99 3fy7 n PRO 145 Ca 0.08 0.86 -0.26 0.00 -2.02 0.00 0.00 63.50 62.17 3fy7 n PRO 145 Cb 0.48 -2.54 -0.00 0.00 -0.02 0.00 0.00 33.50 31.42 3fy7 n PRO 145 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3fy7 s LEU 146 N -1.59 3.77 0.23 2.45 1.43 -1.26 -4.92 118.68 118.79 3fy7 s LEU 146 Ca 0.55 0.72 -0.15 0.00 -1.03 0.00 0.00 54.13 54.21 3fy7 s LEU 146 Cb -0.51 -3.63 0.27 0.00 0.03 0.00 0.00 46.19 42.35 3fy7 s LEU 146 CO 0.63 -0.48 1.58 -0.33 0.23 0.00 0.00 176.35 177.97 3fy7 h GLU 147 N 0.43 -0.04 0.00 1.70 5.08 -2.00 0.24 114.58 119.99 3fy7 h GLU 147 Ca -0.48 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 57.82 3fy7 h GLU 147 Cb 1.21 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 3fy7 h GLU 147 CO 0.61 -0.03 -0.28 1.12 -1.00 0.00 0.00 179.01 179.43 3fy7 h HIS 148 N -0.04 0.00 -0.51 4.33 2.07 -2.01 -1.84 115.15 117.15 3fy7 h HIS 148 Ca 0.35 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 57.82 3fy7 h HIS 148 Cb 0.60 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.56 3fy7 h HIS 148 CO -0.72 0.28 0.11 0.93 -3.07 0.00 0.00 177.93 175.46 3fy7 h GLU 149 N 0.00 0.79 0.00 5.12 5.08 -0.90 -2.91 114.58 121.75 3fy7 h GLU 149 Ca -0.00 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 3fy7 h GLU 149 Cb 0.71 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.84 3fy7 h GLU 149 CO 0.04 0.73 0.00 -0.07 -1.00 0.00 0.00 179.01 178.70 3fy7 h LEU 150 N 0.76 0.00 -0.46 1.33 3.38 -0.87 -2.33 115.31 117.12 3fy7 h LEU 150 Ca 0.17 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.05 3fy7 h LEU 150 Cb 0.31 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 3fy7 h LEU 150 CO 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 178.44 178.48 3fy7 h ALA 151 N 2.26 0.62 0.00 1.53 0.00 -1.44 -2.14 119.26 120.09 3fy7 h ALA 151 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3fy7 h ALA 151 Cb 0.53 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3fy7 h ALA 151 CO 0.00 0.47 -0.50 0.78 0.00 0.00 0.00 179.25 180.00 3fy7 h GLY 152 N 0.69 0.00 -5.98 0.00 0.00 -1.61 -3.42 103.07 92.75 3fy7 h GLY 152 Ca 0.12 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.20 3fy7 h GLY 152 CO 0.03 0.00 -0.60 -0.54 0.00 0.00 0.00 176.54 175.43 3fy7 s GLU 153 N -3.23 0.81 0.63 4.80 2.02 -0.90 -5.00 118.70 117.83 3fy7 s GLU 153 Ca 0.05 -0.85 0.40 0.00 0.02 0.00 0.00 54.97 54.59 3fy7 s GLU 153 Cb 0.10 -0.40 2.09 0.00 0.10 0.00 0.00 34.13 36.01 3fy7 s GLU 153 CO 0.71 -1.24 2.26 -1.00 0.02 0.00 0.00 175.26 176.02 3fy7 h PRO 154 N 6.49 0.00 -0.02 0.39 0.13 -1.64 -2.17 132.00 135.18 3fy7 h PRO 154 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 3fy7 h PRO 154 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 3fy7 h PRO 154 CO 0.15 0.01 -0.35 1.04 -0.23 0.00 0.00 178.00 178.61 3fy7 n GLN 155 N -3.21 1.35 -1.63 0.86 3.00 -1.26 -4.99 117.38 111.50 3fy7 n GLN 155 Ca -0.02 -1.07 -0.47 0.00 -0.01 0.00 0.00 57.00 55.42 3fy7 n GLN 155 Cb 0.13 -1.48 -0.04 0.00 0.00 0.00 0.00 30.24 28.85 3fy7 n GLN 155 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 3fy7 n LEU 156 N 0.11 2.48 -0.10 1.08 7.94 -0.81 -4.89 117.00 122.81 3fy7 n LEU 156 Ca 0.11 1.12 -0.12 0.00 -1.11 0.00 0.00 56.01 56.01 3fy7 n LEU 156 Cb 0.47 -1.34 -0.11 0.00 0.53 0.00 0.00 43.42 42.97 3fy7 n LEU 156 CO 0.25 -0.73 -1.13 0.54 -1.11 0.00 0.00 177.39 175.22 3fy7 n ARG 157 N 2.38 0.82 -4.79 1.96 1.74 -1.26 -4.86 116.66 112.66 3fy7 n ARG 157 Ca 0.15 0.07 -0.33 0.00 -0.77 0.00 0.00 57.85 56.97 3fy7 n ARG 157 Cb 0.27 -1.42 -0.15 0.00 -1.02 0.00 0.00 32.46 30.14 3fy7 n ARG 157 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3fy7 s GLU 158 N -2.41 3.26 0.65 5.56 0.41 -1.26 -4.50 118.70 120.40 3fy7 s GLU 158 Ca -0.21 -0.75 -0.18 0.00 -0.41 0.00 0.00 54.97 53.43 3fy7 s GLU 158 Cb 0.06 -2.56 -0.01 0.00 -1.78 0.00 0.00 34.13 29.85 3fy7 s GLU 158 CO 0.56 0.14 1.23 0.45 -0.49 0.00 0.00 175.26 177.15 3fy7 s SER 159 N 0.50 4.76 0.00 -0.19 0.15 0.24 -4.83 113.70 114.33 3fy7 s SER 159 Ca -0.11 2.45 0.10 0.00 0.70 0.00 0.00 55.95 59.10 3fy7 s SER 159 Cb -0.16 -2.60 0.02 0.00 -1.71 0.00 0.00 66.02 61.57 3fy7 s SER 159 CO 0.05 -1.89 0.70 0.54 1.20 0.00 0.00 173.24 173.84 3fy7 n ARG 160 N -1.98 1.61 -2.26 5.44 1.74 -1.26 -4.93 116.66 115.01 3fy7 n ARG 160 Ca 0.14 -0.77 -0.32 0.00 -0.77 0.00 0.00 57.85 56.13 3fy7 n ARG 160 Cb 0.49 -1.12 -0.02 0.00 -1.02 0.00 0.00 32.46 30.79 3fy7 n ARG 160 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 3fy7 s ARG 161 N -1.24 3.67 0.06 5.56 3.03 -1.26 -5.00 118.95 123.78 3fy7 s ARG 161 Ca 0.10 1.09 -0.16 0.00 2.03 0.00 0.00 55.73 58.78 3fy7 s ARG 161 Cb 0.08 -2.09 -0.19 0.00 -1.03 0.00 0.00 34.95 31.73 3fy7 s ARG 161 CO 0.22 -0.51 1.23 0.00 -1.13 0.00 0.00 175.30 175.11 3fy7 h ARG 162 N 0.75 0.62 0.00 3.89 3.08 -1.90 -3.49 114.38 117.34 3fy7 h ARG 162 Ca -0.47 -0.55 0.00 0.00 0.07 0.00 0.00 59.98 59.03 3fy7 h ARG 162 Cb 1.20 0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.38 3fy7 h ARG 162 CO 0.60 1.17 0.00 1.19 -1.07 0.00 0.00 179.97 181.85 3fy7 n PHE 163 N -4.08 0.00 -0.02 3.04 3.72 0.91 -4.51 117.46 116.51 3fy7 n PHE 163 Ca -0.09 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.27 3fy7 n PHE 163 Cb 0.70 0.00 0.16 0.00 -0.94 0.00 0.00 39.48 39.40 3fy7 n PHE 163 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 3fy7 h LEU 164 N 0.00 0.59 -1.24 4.37 3.38 -1.94 -3.29 115.31 117.18 3fy7 h LEU 164 Ca 0.00 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.77 3fy7 h LEU 164 Cb 0.00 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.59 3fy7 h LEU 164 CO 0.00 0.82 0.00 -0.67 0.09 0.00 0.00 178.44 178.68 3fy7 n ASP 165 N -4.12 1.06 0.00 -0.43 2.03 -1.26 -4.80 116.55 109.03 3fy7 n ASP 165 Ca -0.00 -1.16 0.00 0.00 0.52 0.00 0.00 54.79 54.15 3fy7 n ASP 165 Cb 0.41 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.81 3fy7 n ASP 165 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3fy7 n GLY 166 N -0.08 0.24 1.40 0.27 0.00 -1.24 -4.85 105.19 100.93 3fy7 n GLY 166 Ca 0.00 -1.21 0.12 0.00 0.00 0.00 0.00 46.02 44.93 3fy7 n GLY 166 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3fy7 n ASP 167 N 0.00 4.08 -4.19 1.61 8.00 -1.26 -0.06 116.55 124.72 3fy7 n ASP 167 Ca 0.00 -2.05 -0.20 0.00 0.71 0.00 0.00 54.79 53.25 3fy7 n ASP 167 Cb 0.00 -0.51 -0.13 0.00 -0.02 0.00 0.00 41.12 40.47 3fy7 n ASP 167 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3fy7 s ARG 168 N -1.09 0.94 0.18 -1.24 0.52 -1.26 -4.86 118.95 112.13 3fy7 s ARG 168 Ca 0.50 -0.93 -0.31 0.00 -0.52 0.00 0.00 55.73 54.47 3fy7 s ARG 168 Cb 0.27 -1.00 -0.09 0.00 0.52 0.00 0.00 34.95 34.64 3fy7 s ARG 168 CO 0.33 0.23 1.42 -0.51 0.02 0.00 0.00 175.30 176.79 3fy7 s LEU 169 N -1.56 4.38 0.45 2.53 1.43 -1.26 -4.75 118.68 119.90 3fy7 s LEU 169 Ca 0.01 2.48 0.06 0.00 -1.03 0.00 0.00 54.13 55.65 3fy7 s LEU 169 Cb -0.09 -3.60 -0.03 0.00 0.03 0.00 0.00 46.19 42.49 3fy7 s LEU 169 CO 0.02 -0.67 0.17 0.42 0.23 0.00 0.00 176.35 176.53 3fy7 s THR 170 N 0.60 1.99 0.37 5.49 -4.23 -1.26 -4.96 115.64 113.64 3fy7 s THR 170 Ca 0.62 -1.74 0.16 0.00 -1.18 0.00 0.00 61.69 59.55 3fy7 s THR 170 Cb -0.39 -2.73 0.37 0.00 1.34 0.00 0.00 72.50 71.09 3fy7 s THR 170 CO 0.35 0.00 1.76 -0.07 -0.54 0.00 0.00 174.62 176.12 3fy7 h LEU 171 N 1.34 0.51 -1.40 4.79 3.38 -1.65 -1.10 115.31 121.19 3fy7 h LEU 171 Ca -0.42 0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.61 3fy7 h LEU 171 Cb 1.27 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 42.02 3fy7 h LEU 171 CO 0.70 0.09 0.03 0.00 0.09 0.00 0.00 178.44 179.35 3fy7 h ALA 172 N 1.65 1.52 0.04 1.53 0.00 -1.92 -2.24 119.26 119.85 3fy7 h ALA 172 Ca 0.61 -0.15 -0.27 0.00 0.00 0.00 0.00 54.91 55.10 3fy7 h ALA 172 Cb 1.44 -0.13 0.02 0.00 0.00 0.00 0.00 17.79 19.12 3fy7 h ALA 172 CO -0.35 0.35 -1.10 -0.44 0.00 0.00 0.00 179.25 177.71 3fy7 h ASP 173 N 0.42 0.83 -0.98 0.00 3.32 -1.59 -2.01 116.42 116.42 3fy7 h ASP 173 Ca 0.10 -0.71 0.17 0.00 0.02 0.00 0.00 57.03 56.61 3fy7 h ASP 173 Cb 0.23 -0.26 -0.09 0.00 0.22 0.00 0.00 39.33 39.43 3fy7 h ASP 173 CO 0.00 1.51 0.61 0.00 -1.72 0.00 0.00 179.24 179.64 3fy7 h SER 175 N 0.75 -0.00 -0.07 0.00 0.87 -1.42 -3.37 113.55 110.31 3fy7 h SER 175 Ca 0.53 -0.90 -0.10 0.00 -1.23 0.00 0.00 61.79 60.09 3fy7 h SER 175 Cb 0.84 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.80 3fy7 h SER 175 CO -0.30 0.90 -0.35 0.25 -0.53 0.00 0.00 176.83 176.80 3fy7 h LEU 176 N -0.91 0.43 -0.51 2.23 5.85 -0.99 -3.36 115.31 118.04 3fy7 h LEU 176 Ca -0.00 -0.65 0.09 0.00 0.84 0.00 0.00 57.88 58.16 3fy7 h LEU 176 Cb 0.90 -0.13 -0.07 0.00 0.37 0.00 0.00 40.66 41.73 3fy7 h LEU 176 CO 0.00 1.01 0.10 -0.07 -0.34 0.00 0.00 178.44 179.14 3fy7 h LEU 177 N -0.13 -0.01 -0.90 2.25 3.38 -0.60 0.12 115.31 119.42 3fy7 h LEU 177 Ca -0.02 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3fy7 h LEU 177 Cb 1.00 0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.84 3fy7 h LEU 177 CO 0.07 0.02 0.58 -0.65 0.09 0.00 0.00 178.44 178.55 3fy7 h PRO 178 N 0.23 1.20 -0.10 1.13 0.11 -1.75 -0.57 132.00 132.25 3fy7 h PRO 178 Ca 0.26 -0.09 -0.02 0.00 0.11 0.00 0.00 66.00 66.26 3fy7 h PRO 178 Cb 0.36 -0.26 -0.00 0.00 0.11 0.00 0.00 31.00 31.20 3fy7 h PRO 178 CO -0.34 0.81 -0.02 0.87 -0.21 0.00 0.00 178.00 179.11 3fy7 h LYS 179 N 1.23 0.19 -0.52 1.05 1.57 -1.50 -2.03 116.57 116.56 3fy7 h LYS 179 Ca 0.33 -0.07 0.03 0.00 -1.87 0.00 0.00 60.65 59.06 3fy7 h LYS 179 Cb -0.11 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.16 3fy7 h LYS 179 CO -0.07 0.50 0.30 1.25 -0.57 0.00 0.00 179.45 180.86 3fy7 h LEU 180 N -0.13 0.47 -0.71 2.94 5.85 -0.56 0.10 115.31 123.28 3fy7 h LEU 180 Ca 0.03 0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.83 3fy7 h LEU 180 Cb 0.43 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.31 3fy7 h LEU 180 CO 0.01 0.33 0.39 -0.74 -0.34 0.00 0.00 178.44 178.08 3fy7 h HIS 181 N 0.59 0.71 -0.71 1.25 2.76 -1.11 0.63 115.15 119.26 3fy7 h HIS 181 Ca 0.21 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.40 3fy7 h HIS 181 Cb 0.05 -0.21 -0.03 0.00 1.55 0.00 0.00 27.41 28.77 3fy7 h HIS 181 CO -0.07 0.32 0.40 0.82 -1.30 0.00 0.00 177.93 178.09 3fy7 h ILE 182 N 0.69 1.21 0.03 6.26 2.04 -0.48 -0.47 117.51 126.79 3fy7 h ILE 182 Ca 0.33 -0.50 -0.00 0.00 1.00 0.00 0.00 64.86 65.68 3fy7 h ILE 182 Cb 0.25 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 36.59 3fy7 h ILE 182 CO -0.21 0.23 -0.02 0.58 0.00 0.00 0.00 178.15 178.73 3fy7 h VAL 183 N 0.97 0.98 -0.22 1.67 2.07 0.07 -1.48 116.25 120.32 3fy7 h VAL 183 Ca 0.25 -0.05 0.03 0.00 0.82 0.00 0.00 66.70 67.75 3fy7 h VAL 183 Cb 0.01 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 3fy7 h VAL 183 CO -0.04 0.01 0.01 -0.78 0.02 0.00 0.00 177.57 176.79 3fy7 h ASP 184 N -0.07 -0.06 0.21 0.57 3.58 -0.73 -1.71 116.42 118.21 3fy7 h ASP 184 Ca -0.00 0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.48 3fy7 h ASP 184 Cb 0.06 0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.18 3fy7 h ASP 184 CO 0.01 -0.00 -0.10 0.74 -2.88 0.00 0.00 179.24 177.01 3fy7 h THR 185 N 0.08 0.86 -0.49 2.25 2.02 -0.94 -2.17 112.91 114.52 3fy7 h THR 185 Ca 0.10 -0.41 -0.13 0.00 0.77 0.00 0.00 66.41 66.74 3fy7 h THR 185 Cb 0.12 1.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 3fy7 h THR 185 CO -0.16 0.09 -0.21 0.58 0.37 0.00 0.00 175.52 176.19 3fy7 h VAL 186 N -0.49 1.27 -0.37 3.16 2.07 -1.30 -1.71 116.25 118.88 3fy7 h VAL 186 Ca -0.03 -1.38 -0.09 0.00 0.82 0.00 0.00 66.70 66.02 3fy7 h VAL 186 Cb 0.37 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 3fy7 h VAL 186 CO 0.05 0.48 -0.11 0.00 0.02 0.00 0.00 177.57 178.00 3fy7 h ALA 188 N 0.82 0.57 0.11 0.00 0.00 -1.34 0.18 119.26 119.60 3fy7 h ALA 188 Ca 0.09 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3fy7 h ALA 188 Cb 0.63 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3fy7 h ALA 188 CO 0.04 -0.00 -0.06 1.25 0.00 0.00 0.00 179.25 180.49 3fy7 h HIS 189 N 0.59 -0.14 0.00 0.00 2.76 -1.20 -2.97 115.15 114.18 3fy7 h HIS 189 Ca 0.17 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.33 3fy7 h HIS 189 Cb -0.05 0.05 0.00 0.00 1.55 0.00 0.00 27.41 28.96 3fy7 h HIS 189 CO -0.05 0.34 -0.63 0.74 -1.30 0.00 0.00 177.93 177.02 3fy7 h PHE 190 N -0.89 0.00 0.00 5.26 0.04 -1.25 -3.37 116.94 116.73 3fy7 h PHE 190 Ca -0.02 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.72 3fy7 h PHE 190 Cb 0.54 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 38.62 3fy7 h PHE 190 CO 0.11 0.00 -0.53 0.54 -0.60 0.00 0.00 178.31 177.83 3fy7 n ARG 191 N -2.23 0.26 -4.03 1.51 5.12 -0.58 -5.01 116.66 111.70 3fy7 n ARG 191 Ca 0.03 -1.52 -0.29 0.00 -1.93 0.00 0.00 57.85 54.14 3fy7 n ARG 191 Cb 0.46 -0.60 -0.08 0.00 -1.16 0.00 0.00 32.46 31.08 3fy7 n ARG 191 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 3fy7 n GLN 192 N -0.17 -0.88 -3.15 5.56 1.13 -0.89 -4.84 117.38 114.14 3fy7 n GLN 192 Ca 0.04 0.09 -0.22 0.00 -1.94 0.00 0.00 57.00 54.97 3fy7 n GLN 192 Cb 0.77 -3.33 -0.06 0.00 0.11 0.00 0.00 30.24 27.74 3fy7 n GLN 192 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3fy7 n ALA 193 N -3.81 1.99 -1.12 -1.58 0.00 -0.05 -4.92 120.51 111.02 3fy7 n ALA 193 Ca -0.14 -3.14 -0.33 0.00 0.00 0.00 0.00 53.44 49.83 3fy7 n ALA 193 Cb 0.51 -0.87 0.12 0.00 0.00 0.00 0.00 19.45 19.21 3fy7 n ALA 193 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3fy7 s PRO 194 N -0.89 1.79 0.09 0.00 0.04 -1.26 -3.34 135.00 131.43 3fy7 s PRO 194 Ca 0.35 1.60 -0.34 0.00 0.04 0.00 0.00 61.00 62.64 3fy7 s PRO 194 Cb 0.17 -1.81 -0.13 0.00 0.04 0.00 0.00 34.50 32.76 3fy7 s PRO 194 CO -0.13 -2.07 1.64 -0.89 0.04 0.00 0.00 177.00 175.60 3fy7 n ILE 195 N -3.34 0.15 -1.72 0.56 5.41 -1.26 -4.86 119.36 114.29 3fy7 n ILE 195 Ca 0.12 -0.03 -0.43 0.00 1.00 0.00 0.00 62.75 63.42 3fy7 n ILE 195 Cb 0.51 -1.59 -0.02 0.00 -0.71 0.00 0.00 39.64 37.83 3fy7 n ILE 195 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 3fy7 n PRO 196 N 4.19 2.57 0.29 0.38 -0.02 -1.26 -4.91 135.00 136.24 3fy7 n PRO 196 Ca 0.18 0.92 0.14 0.00 -2.02 0.00 0.00 63.50 62.72 3fy7 n PRO 196 Cb 0.29 -2.69 0.86 0.00 -0.02 0.00 0.00 33.50 31.94 3fy7 n PRO 196 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3fy7 h ALA 197 N 5.09 1.49 -0.57 3.55 0.00 -2.01 0.76 119.26 127.57 3fy7 h ALA 197 Ca -0.46 -0.03 0.15 0.00 0.00 0.00 0.00 54.91 54.58 3fy7 h ALA 197 Cb 1.23 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 3fy7 h ALA 197 CO 0.82 0.04 0.41 0.93 0.00 0.00 0.00 179.25 181.44 3fy7 h GLU 198 N 0.00 0.06 -3.34 0.00 5.08 -2.01 -2.68 114.58 111.68 3fy7 h GLU 198 Ca -0.00 -0.00 -0.69 0.00 -1.00 0.00 0.00 59.36 57.66 3fy7 h GLU 198 Cb 0.08 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 3fy7 h GLU 198 CO 0.00 0.04 3.46 1.28 -1.00 0.00 0.00 179.01 182.79 3fy7 n LEU 199 N -4.39 8.00 -0.19 1.33 4.77 0.26 -4.73 117.00 122.05 3fy7 n LEU 199 Ca 0.11 -4.33 0.09 0.00 -0.03 0.00 0.00 56.01 51.84 3fy7 n LEU 199 Cb 0.60 -1.58 0.38 0.00 -2.33 0.00 0.00 43.42 40.49 3fy7 n LEU 199 CO 0.36 1.72 1.21 0.08 -1.33 0.00 0.00 177.39 179.43 3fy7 h ARG 200 N 5.35 0.67 -0.55 3.23 0.11 -1.71 -0.09 114.38 121.39 3fy7 h ARG 200 Ca 0.74 -0.04 -0.02 0.00 0.10 0.00 0.00 59.98 60.76 3fy7 h ARG 200 Cb 0.42 -0.15 -0.02 0.00 1.11 0.00 0.00 29.97 31.32 3fy7 h ARG 200 CO 1.80 0.44 0.25 0.78 0.10 0.00 0.00 179.97 183.34 3fy7 h GLY 201 N 0.69 0.86 0.98 0.08 0.00 -1.85 -0.88 103.07 102.96 3fy7 h GLY 201 Ca 0.34 -0.44 -0.09 0.00 0.00 0.00 0.00 47.33 47.14 3fy7 h GLY 201 CO -0.12 0.42 -0.08 -2.08 0.00 0.00 0.00 176.54 174.68 3fy7 h VAL 202 N 0.75 1.27 -0.27 4.60 2.07 -1.35 -1.27 116.25 122.04 3fy7 h VAL 202 Ca 0.19 -1.17 -0.10 0.00 0.82 0.00 0.00 66.70 66.43 3fy7 h VAL 202 Cb 0.15 1.18 -0.00 0.00 -1.52 0.00 0.00 31.29 31.09 3fy7 h VAL 202 CO -0.02 0.39 -0.24 0.03 0.02 0.00 0.00 177.57 177.75 3fy7 h ARG 203 N 0.61 0.65 -0.70 1.57 2.47 -1.27 -1.88 114.38 115.82 3fy7 h ARG 203 Ca 0.11 -0.33 0.05 0.00 -1.26 0.00 0.00 59.98 58.55 3fy7 h ARG 203 Cb 0.60 0.01 -0.05 0.00 -1.65 0.00 0.00 29.97 28.88 3fy7 h ARG 203 CO 0.04 0.93 0.42 -0.09 0.56 0.00 0.00 179.97 181.82 3fy7 h ARG 204 N 0.38 0.76 -0.39 0.04 2.43 -1.16 -0.86 114.38 115.59 3fy7 h ARG 204 Ca 0.05 -0.05 0.07 0.00 -0.81 0.00 0.00 59.98 59.25 3fy7 h ARG 204 Cb 0.79 -0.17 -0.07 0.00 -0.42 0.00 0.00 29.97 30.10 3fy7 h ARG 204 CO 0.06 0.51 -0.05 -0.92 -1.51 0.00 0.00 179.97 178.06 3fy7 h TYR 205 N 0.79 -0.11 -0.19 2.20 3.20 -0.93 0.41 116.97 122.34 3fy7 h TYR 205 Ca 0.30 0.03 -0.12 0.00 3.14 0.00 0.00 58.73 62.08 3fy7 h TYR 205 Cb 0.12 0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.48 3fy7 h TYR 205 CO -0.06 -0.12 -0.39 -0.07 -1.64 0.00 0.00 178.16 175.88 3fy7 h LEU 206 N 0.05 0.45 -0.57 2.82 3.38 -0.87 -2.48 115.31 118.09 3fy7 h LEU 206 Ca 0.19 -0.19 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 3fy7 h LEU 206 Cb 0.28 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 3fy7 h LEU 206 CO -0.36 0.80 -0.11 0.44 0.09 0.00 0.00 178.44 179.29 3fy7 h ASP 207 N 0.36 1.03 -0.73 -0.43 3.32 -0.41 -2.49 116.42 117.07 3fy7 h ASP 207 Ca 0.03 -0.34 -0.07 0.00 0.02 0.00 0.00 57.03 56.68 3fy7 h ASP 207 Cb 0.84 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 40.08 3fy7 h ASP 207 CO 0.07 1.14 0.20 0.28 -1.72 0.00 0.00 179.24 179.20 3fy7 h SER 208 N 0.91 1.09 -0.37 6.45 0.02 -0.78 -2.81 113.55 118.05 3fy7 h SER 208 Ca 0.14 -0.22 -0.05 0.00 -0.84 0.00 0.00 61.79 60.82 3fy7 h SER 208 Cb 0.68 -0.29 -0.02 0.00 0.14 0.00 0.00 62.40 62.92 3fy7 h SER 208 CO 0.05 1.02 0.07 0.00 -1.14 0.00 0.00 176.83 176.83 3fy7 h ALA 209 N 1.11 1.27 0.00 3.77 0.00 -1.30 -2.04 119.26 122.08 3fy7 h ALA 209 Ca 0.23 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3fy7 h ALA 209 Cb 0.35 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3fy7 h ALA 209 CO -0.00 0.50 0.00 -1.33 0.00 0.00 0.00 179.25 178.42 3fy7 n MET 210 N -4.27 0.01 -0.07 0.00 2.00 -0.95 -1.70 117.12 112.14 3fy7 n MET 210 Ca 0.03 0.24 0.07 0.00 0.00 0.00 0.00 57.70 58.03 3fy7 n MET 210 Cb 0.24 -1.53 0.10 0.00 0.00 0.00 0.00 33.22 32.03 3fy7 n MET 210 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 175.97 177.01 3fy7 n GLN 211 N -1.55 1.52 -3.53 0.03 6.02 -0.80 -4.71 117.38 114.36 3fy7 n GLN 211 Ca 0.04 -1.59 -0.38 0.00 -0.01 0.00 0.00 57.00 55.05 3fy7 n GLN 211 Cb 0.19 -1.29 -0.10 0.00 1.02 0.00 0.00 30.24 30.07 3fy7 n GLN 211 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3fy7 s GLU 212 N -1.11 4.01 0.27 -1.09 0.41 -0.69 -4.99 118.70 115.51 3fy7 s GLU 212 Ca 0.20 -0.17 -0.04 0.00 -0.41 0.00 0.00 54.97 54.55 3fy7 s GLU 212 Cb 0.13 -3.63 0.54 0.00 -1.78 0.00 0.00 34.13 29.39 3fy7 s GLU 212 CO 0.18 -0.15 1.61 1.57 -0.49 0.00 0.00 175.26 177.98 3fy7 h LYS 213 N 8.07 0.06 0.00 1.61 2.10 -1.91 -0.62 116.57 125.89 3fy7 h LYS 213 Ca -0.35 -0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.25 3fy7 h LYS 213 Cb 1.18 -0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 32.49 3fy7 h LYS 213 CO 0.61 0.04 -0.26 0.93 -2.00 0.00 0.00 179.45 178.77 3fy7 h GLU 214 N 0.06 0.00 0.10 0.07 3.07 -1.94 0.09 114.58 116.03 3fy7 h GLU 214 Ca 0.48 0.00 -0.23 0.00 -0.50 0.00 0.00 59.36 59.11 3fy7 h GLU 214 Cb 0.88 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.79 3fy7 h GLU 214 CO -0.79 0.26 -1.15 0.35 -1.40 0.00 0.00 179.01 176.28 3fy7 h PHE 215 N 0.00 0.37 -0.66 4.33 3.57 -1.36 -3.32 116.94 119.88 3fy7 h PHE 215 Ca -0.00 -0.27 -0.04 0.00 3.53 0.00 0.00 57.97 61.18 3fy7 h PHE 215 Cb 0.50 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.20 3fy7 h PHE 215 CO 0.00 1.45 0.24 -0.22 -2.23 0.00 0.00 178.31 177.55 3fy7 h LYS 216 N -0.46 0.98 0.00 1.11 3.64 -1.13 -2.72 116.57 117.99 3fy7 h LYS 216 Ca -0.25 -0.17 -0.08 0.00 -1.27 0.00 0.00 60.65 58.87 3fy7 h LYS 216 Cb 1.62 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 33.26 3fy7 h LYS 216 CO 0.04 0.81 -0.40 -0.92 -2.27 0.00 0.00 179.45 176.71 3fy7 h TYR 217 N 0.95 0.00 -0.32 1.91 3.20 -1.16 -3.18 116.97 118.38 3fy7 h TYR 217 Ca 0.22 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.09 3fy7 h TYR 217 Cb 0.22 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.49 3fy7 h TYR 217 CO 0.02 0.40 0.00 0.25 -1.64 0.00 0.00 178.16 177.19 3fy7 n THR 218 N -3.62 0.60 -3.04 1.81 -2.24 -1.15 -4.96 114.28 101.67 3fy7 n THR 218 Ca -0.01 -0.80 -0.41 0.00 -2.27 0.00 0.00 64.05 60.57 3fy7 n THR 218 Cb 0.51 0.84 -0.06 0.00 -2.10 0.00 0.00 70.33 69.52 3fy7 n THR 218 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3fy7 s PRO 220 N 2.36 1.96 0.62 0.00 0.04 -1.26 -4.96 135.00 133.77 3fy7 s PRO 220 Ca 0.30 1.54 -0.17 0.00 0.04 0.00 0.00 61.00 62.71 3fy7 s PRO 220 Cb -0.16 -1.84 -0.02 0.00 0.04 0.00 0.00 34.50 32.53 3fy7 s PRO 220 CO 0.09 -1.92 1.14 -1.58 0.04 0.00 0.00 177.00 174.77 3fy7 s HIS 221 N -2.38 2.53 0.36 0.56 2.46 -1.26 -4.91 115.29 112.64 3fy7 s HIS 221 Ca 0.69 1.55 0.06 0.00 0.47 0.00 0.00 55.06 57.83 3fy7 s HIS 221 Cb -0.24 -3.30 0.75 0.00 -0.13 0.00 0.00 32.58 29.66 3fy7 s HIS 221 CO 0.50 -1.85 1.94 0.77 -2.47 0.00 0.00 174.74 173.63 3fy7 h SER 222 N 0.52 0.67 -0.90 9.88 0.02 -2.01 -1.84 113.55 119.89 3fy7 h SER 222 Ca -0.49 0.01 0.08 0.00 -0.84 0.00 0.00 61.79 60.55 3fy7 h SER 222 Cb 1.27 -0.13 -0.06 0.00 0.14 0.00 0.00 62.40 63.61 3fy7 h SER 222 CO 0.55 0.42 0.59 0.00 -1.14 0.00 0.00 176.83 177.24 3fy7 h ALA 223 N 1.60 1.55 -0.46 3.77 0.00 -1.99 -1.22 119.26 122.50 3fy7 h ALA 223 Ca 0.34 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.14 3fy7 h ALA 223 Cb 0.33 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3fy7 h ALA 223 CO -0.12 0.29 -0.07 0.93 0.00 0.00 0.00 179.25 180.29 3fy7 h GLU 224 N 0.98 0.86 -0.52 0.00 4.39 -1.70 -2.17 114.58 116.41 3fy7 h GLU 224 Ca 0.40 -0.31 -0.04 0.00 0.34 0.00 0.00 59.36 59.75 3fy7 h GLU 224 Cb 0.27 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.84 3fy7 h GLU 224 CO -0.16 0.94 0.17 0.82 -1.16 0.00 0.00 179.01 179.63 3fy7 h ILE 225 N 0.70 1.23 -0.42 3.13 2.04 -1.18 -3.03 117.51 119.98 3fy7 h ILE 225 Ca 0.12 -0.76 -0.11 0.00 1.00 0.00 0.00 64.86 65.12 3fy7 h ILE 225 Cb 0.60 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 37.40 3fy7 h ILE 225 CO 0.04 0.28 -0.17 -0.07 0.00 0.00 0.00 178.15 178.23 3fy7 h LEU 226 N 0.71 0.79 -1.16 1.44 3.38 -1.23 -2.96 115.31 116.29 3fy7 h LEU 226 Ca 0.17 -0.26 -0.08 0.00 0.09 0.00 0.00 57.88 57.80 3fy7 h LEU 226 Cb 0.26 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3fy7 h LEU 226 CO -0.01 0.96 -0.27 0.00 0.09 0.00 0.00 178.44 179.21 3fy7 h ALA 227 N 1.11 1.29 0.00 1.53 0.00 -1.34 -1.75 119.26 120.10 3fy7 h ALA 227 Ca 0.11 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 3fy7 h ALA 227 Cb 0.67 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3fy7 h ALA 227 CO 0.05 0.48 -0.36 0.00 0.00 0.00 0.00 179.25 179.42 3fy7 h ALA 228 N 1.50 1.37 -0.01 0.00 0.00 -1.40 -3.01 119.26 117.72 3fy7 h ALA 228 Ca 0.04 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3fy7 h ALA 228 Cb 0.60 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3fy7 h ALA 228 CO 0.04 0.45 -0.72 0.66 0.00 0.00 0.00 179.25 179.68 3fy7 n TYR 229 N -4.07 0.00 0.54 0.00 4.01 -1.11 -5.15 117.16 111.38 3fy7 n TYR 229 Ca -0.02 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.76 3fy7 n TYR 229 Cb 0.40 0.00 0.25 0.00 -0.31 0.00 0.00 39.34 39.69 3fy7 n TYR 229 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27