#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1py6 n GLY 6 N 0.00 -0.43 3.76 3.41 0.00 -1.26 -4.97 105.19 105.70 1py6 n GLY 6 Ca 0.00 0.16 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 1py6 n GLY 6 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1py6 s ARG 7 N -5.81 3.43 0.63 1.61 0.52 -1.26 -4.89 118.95 113.18 1py6 s ARG 7 Ca 0.24 2.13 0.31 0.00 -0.52 0.00 0.00 55.73 57.89 1py6 s ARG 7 Cb -0.11 -2.39 1.67 0.00 0.52 0.00 0.00 34.95 34.65 1py6 s ARG 7 CO 0.74 -0.92 2.00 -1.35 0.02 0.00 0.00 175.30 175.78 1py6 h PRO 8 N 1.82 0.00 -0.01 3.54 0.11 -2.00 -1.63 132.00 133.83 1py6 h PRO 8 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1py6 h PRO 8 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1py6 h PRO 8 CO 0.59 0.00 -0.22 -0.85 -0.21 0.00 0.00 178.00 177.31 1py6 n GLU 9 N -3.31 0.79 -0.23 1.05 0.00 -1.26 -4.34 120.64 113.33 1py6 n GLU 9 Ca 0.01 -0.42 0.05 0.00 0.00 0.00 0.00 57.16 56.80 1py6 n GLU 9 Cb 0.41 -1.49 0.29 0.00 0.00 0.00 0.00 31.44 30.65 1py6 n GLU 9 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.13 177.24 1py6 h TRP 10 N 1.02 0.90 -0.29 -1.84 5.08 -1.66 -2.13 115.95 117.04 1py6 h TRP 10 Ca 0.00 0.02 -0.02 0.00 1.08 0.00 0.00 58.89 59.97 1py6 h TRP 10 Cb 0.47 -0.30 -0.02 0.00 -3.00 0.00 0.00 29.16 26.31 1py6 h TRP 10 CO 0.00 0.49 0.09 0.97 -1.28 0.00 0.00 178.44 178.71 1py6 h ILE 11 N 0.90 1.13 0.00 0.12 6.09 -1.82 0.33 117.51 124.26 1py6 h ILE 11 Ca 0.34 -0.43 -0.16 0.00 -1.37 0.00 0.00 64.86 63.23 1py6 h ILE 11 Cb 0.18 0.82 -0.02 0.00 0.47 0.00 0.00 36.82 38.27 1py6 h ILE 11 CO -0.11 0.16 -0.76 -0.50 -3.07 0.00 0.00 178.15 173.87 1py6 h TRP 12 N 0.41 0.00 -0.24 2.19 -0.00 -1.70 -1.75 115.95 114.86 1py6 h TRP 12 Ca 0.10 0.00 -0.17 0.00 -0.00 0.00 0.00 58.89 58.82 1py6 h TRP 12 Cb 0.13 0.00 -0.00 0.00 -0.00 0.00 0.00 29.16 29.29 1py6 h TRP 12 CO 0.00 0.76 -0.55 -0.07 -0.00 0.00 0.00 178.44 178.59 1py6 h LEU 13 N 0.00 0.80 -0.50 -4.49 4.07 -0.70 -0.06 115.31 114.42 1py6 h LEU 13 Ca -0.01 -0.43 -0.13 0.00 0.08 0.00 0.00 57.88 57.40 1py6 h LEU 13 Cb 1.41 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 42.91 1py6 h LEU 13 CO 0.10 1.18 -0.19 0.00 -1.08 0.00 0.00 178.44 178.45 1py6 h ALA 14 N 0.83 0.70 -0.37 1.53 0.00 -0.29 -1.31 119.26 120.35 1py6 h ALA 14 Ca 0.01 -0.38 -0.13 0.00 0.00 0.00 0.00 54.91 54.40 1py6 h ALA 14 Cb 1.12 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1py6 h ALA 14 CO 0.11 0.68 -0.30 1.25 0.00 0.00 0.00 179.25 180.99 1py6 h LEU 15 N 0.88 0.85 -0.41 0.00 6.46 -1.22 -0.87 115.31 121.01 1py6 h LEU 15 Ca 0.12 -0.35 -0.06 0.00 -0.12 0.00 0.00 57.88 57.47 1py6 h LEU 15 Cb 0.77 -0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 40.45 1py6 h LEU 15 CO 0.06 1.09 0.03 1.23 -0.62 0.00 0.00 178.44 180.23 1py6 h GLY 16 N 0.92 0.76 0.98 3.75 0.00 -0.87 -1.27 103.07 107.34 1py6 h GLY 16 Ca 0.08 -0.54 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1py6 h GLY 16 CO 0.07 0.50 0.03 -0.84 0.00 0.00 0.00 176.54 176.30 1py6 h THR 17 N 0.55 1.03 -0.20 4.70 2.02 -1.14 -1.29 112.91 118.58 1py6 h THR 17 Ca 0.12 -0.08 0.03 0.00 0.77 0.00 0.00 66.41 67.25 1py6 h THR 17 Cb 0.43 1.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.81 1py6 h THR 17 CO 0.02 0.03 -0.01 0.00 0.37 0.00 0.00 175.52 175.93 1py6 h ALA 18 N 0.99 0.17 -0.21 6.16 0.00 -1.03 -1.28 119.26 124.06 1py6 h ALA 18 Ca 0.02 0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 1py6 h ALA 18 Cb 0.02 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1py6 h ALA 18 CO -0.00 -0.44 -0.34 -0.07 0.00 0.00 0.00 179.25 178.40 1py6 h LEU 19 N 0.06 0.46 -0.30 0.00 3.38 -1.15 -2.15 115.31 115.62 1py6 h LEU 19 Ca 0.09 -0.18 -0.19 0.00 0.09 0.00 0.00 57.88 57.70 1py6 h LEU 19 Cb 0.12 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1py6 h LEU 19 CO -0.17 0.78 -0.54 0.24 0.09 0.00 0.00 178.44 178.84 1py6 h MET 20 N 0.38 0.89 0.16 1.13 2.86 -1.06 -2.06 114.93 117.23 1py6 h MET 20 Ca 0.04 -0.56 -0.01 0.00 -2.06 0.00 0.00 59.70 57.12 1py6 h MET 20 Cb 0.78 0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.51 1py6 h MET 20 CO 0.06 1.20 -0.08 0.78 1.06 0.00 0.00 176.91 179.93 1py6 h GLY 21 N 0.68 -0.22 0.61 8.32 0.00 -1.15 -0.58 103.07 110.74 1py6 h GLY 21 Ca 0.02 0.08 0.07 0.00 0.00 0.00 0.00 47.33 47.50 1py6 h GLY 21 CO 0.12 -0.08 0.40 1.41 0.00 0.00 0.00 176.54 178.39 1py6 h LEU 22 N -0.48 0.58 -0.86 3.11 3.38 -1.45 -0.79 115.31 118.82 1py6 h LEU 22 Ca -0.02 0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 1py6 h LEU 22 Cb 0.37 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 1py6 h LEU 22 CO 0.04 0.36 0.22 1.23 0.09 0.00 0.00 178.44 180.37 1py6 h GLY 23 N 0.72 1.14 0.96 0.83 0.00 -1.30 -2.00 103.07 103.41 1py6 h GLY 23 Ca 0.33 -0.66 -0.02 0.00 0.00 0.00 0.00 47.33 46.98 1py6 h GLY 23 CO -0.21 0.62 -0.20 -0.84 0.00 0.00 0.00 176.54 175.91 1py6 h THR 24 N 1.02 0.60 -0.59 4.70 2.02 -0.08 -1.92 112.91 118.67 1py6 h THR 24 Ca 0.22 -0.09 0.04 0.00 0.77 0.00 0.00 66.41 67.35 1py6 h THR 24 Cb 0.29 0.65 -0.04 0.00 -1.74 0.00 0.00 68.15 67.31 1py6 h THR 24 CO -0.01 0.02 0.33 -0.07 0.37 0.00 0.00 175.52 176.16 1py6 h LEU 25 N -0.60 0.51 -0.73 2.58 3.38 -1.09 0.21 115.31 119.58 1py6 h LEU 25 Ca -0.06 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 1py6 h LEU 25 Cb 0.45 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 1py6 h LEU 25 CO 0.09 0.35 0.35 0.22 0.09 0.00 0.00 178.44 179.54 1py6 h TYR 26 N 0.64 1.06 -0.38 1.13 3.20 -1.35 0.12 116.97 121.39 1py6 h TYR 26 Ca 0.25 -0.05 -0.12 0.00 3.14 0.00 0.00 58.73 61.94 1py6 h TYR 26 Cb 0.10 -0.33 -0.01 0.00 1.54 0.00 0.00 36.73 38.03 1py6 h TYR 26 CO -0.07 0.79 -0.23 0.74 -1.64 0.00 0.00 178.16 177.74 1py6 h PHE 27 N 1.03 0.97 0.17 -3.82 0.04 -0.75 -1.51 116.94 113.07 1py6 h PHE 27 Ca 0.25 -0.26 -0.00 0.00 2.80 0.00 0.00 57.97 60.76 1py6 h PHE 27 Cb 0.13 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 38.05 1py6 h PHE 27 CO 0.01 1.03 -0.13 1.25 -0.60 0.00 0.00 178.31 179.87 1py6 h LEU 28 N 0.64 -0.32 -0.49 1.54 6.46 -0.27 0.63 115.31 123.49 1py6 h LEU 28 Ca 0.08 0.03 0.04 0.00 -0.12 0.00 0.00 57.88 57.91 1py6 h LEU 28 Cb 0.80 0.10 -0.04 0.00 -0.73 0.00 0.00 40.66 40.79 1py6 h LEU 28 CO 0.07 -0.20 0.25 0.58 -0.62 0.00 0.00 178.44 178.52 1py6 h VAL 29 N -0.30 0.97 -0.42 1.05 2.07 -0.76 -1.06 116.25 117.81 1py6 h VAL 29 Ca -0.01 -0.17 -0.12 0.00 0.82 0.00 0.00 66.70 67.22 1py6 h VAL 29 Cb 0.27 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 1py6 h VAL 29 CO -0.01 0.09 -0.23 0.50 0.02 0.00 0.00 177.57 177.95 1py6 h LYS 30 N 0.50 0.85 -0.41 1.57 3.64 -1.07 -3.21 116.57 118.44 1py6 h LYS 30 Ca 0.21 -0.35 -0.12 0.00 -1.27 0.00 0.00 60.65 59.12 1py6 h LYS 30 Cb 0.11 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 1py6 h LYS 30 CO -0.15 0.99 -0.23 0.78 -2.27 0.00 0.00 179.45 178.58 1py6 h GLY 31 N 0.94 0.89 0.63 5.01 0.00 0.78 -3.07 103.07 108.25 1py6 h GLY 31 Ca 0.10 -0.77 0.00 0.00 0.00 0.00 0.00 47.33 46.66 1py6 h GLY 31 CO 0.06 0.70 0.00 1.03 0.00 0.00 0.00 176.54 178.33 1py6 n MET 32 N -4.11 1.14 -0.04 4.80 2.81 -0.45 -3.26 117.12 118.02 1py6 n MET 32 Ca 0.00 -0.21 -0.03 0.00 -1.81 0.00 0.00 57.70 55.65 1py6 n MET 32 Cb 0.44 -1.47 -0.14 0.00 -0.71 0.00 0.00 33.22 31.34 1py6 n MET 32 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1py6 n GLY 33 N 1.01 -1.05 3.77 3.03 0.00 -1.16 -4.95 105.19 105.84 1py6 n GLY 33 Ca 0.22 -0.29 -0.39 0.00 0.00 0.00 0.00 46.02 45.55 1py6 n GLY 33 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1py6 s VAL 34 N -2.81 3.35 -0.10 1.61 1.01 -1.20 -4.97 120.40 117.29 1py6 s VAL 34 Ca -0.07 1.21 0.16 0.00 0.00 0.00 0.00 61.98 63.28 1py6 s VAL 34 Cb 0.08 -3.71 -0.24 0.00 0.00 0.00 0.00 36.38 32.51 1py6 s VAL 34 CO 0.84 0.18 0.20 -1.54 0.00 0.00 0.00 175.10 174.78 1py6 n SER 35 N 0.51 0.89 -4.69 3.32 3.41 -1.26 -4.89 113.62 110.91 1py6 n SER 35 Ca 0.02 0.00 -0.44 0.00 -0.26 0.00 0.00 58.87 58.19 1py6 n SER 35 Cb 0.46 1.30 -0.04 0.00 -0.26 0.00 0.00 64.21 65.68 1py6 n SER 35 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1py6 n ASP 36 N -2.41 3.57 0.16 4.04 2.03 -1.26 -4.91 116.55 117.77 1py6 n ASP 36 Ca -0.17 1.07 -0.14 0.00 0.52 0.00 0.00 54.79 56.07 1py6 n ASP 36 Cb 0.80 -1.50 -0.08 0.00 -0.72 0.00 0.00 41.12 39.62 1py6 n ASP 36 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1py6 h PRO 37 N 6.40 -0.32 -0.34 -0.67 0.11 -1.96 -0.56 132.00 134.66 1py6 h PRO 37 Ca -0.44 0.02 0.01 0.00 0.11 0.00 0.00 66.00 65.71 1py6 h PRO 37 Cb 1.23 0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.39 1py6 h PRO 37 CO 0.92 -0.22 0.20 -0.44 -0.21 0.00 0.00 178.00 178.26 1py6 h ASP 38 N -0.34 0.32 -0.97 -2.05 3.32 -1.91 -1.17 116.42 113.63 1py6 h ASP 38 Ca -0.03 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.04 1py6 h ASP 38 Cb 0.26 -0.07 -0.05 0.00 0.22 0.00 0.00 39.33 39.70 1py6 h ASP 38 CO 0.05 0.23 0.64 0.00 -1.72 0.00 0.00 179.24 178.44 1py6 h ALA 39 N 1.15 1.23 -0.70 3.45 0.00 -1.33 -1.62 119.26 121.44 1py6 h ALA 39 Ca 0.13 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.00 1py6 h ALA 39 Cb 0.00 -0.39 -0.04 0.00 0.00 0.00 0.00 17.79 17.37 1py6 h ALA 39 CO -0.06 0.61 0.45 0.87 0.00 0.00 0.00 179.25 181.11 1py6 h LYS 40 N 1.30 0.87 0.15 0.00 1.79 -0.57 0.13 116.57 120.24 1py6 h LYS 40 Ca 0.36 -0.05 0.01 0.00 -2.18 0.00 0.00 60.65 58.79 1py6 h LYS 40 Cb -0.13 -0.20 -0.03 0.00 -1.58 0.00 0.00 32.23 30.29 1py6 h LYS 40 CO -0.08 0.58 -0.25 -0.22 -1.08 0.00 0.00 179.45 178.39 1py6 h LYS 41 N 0.90 -0.46 -0.80 3.15 3.64 -0.31 0.17 116.57 122.86 1py6 h LYS 41 Ca 0.27 0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.67 1py6 h LYS 41 Cb -0.04 0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 31.85 1py6 h LYS 41 CO -0.09 -0.31 0.43 0.74 -2.27 0.00 0.00 179.45 177.96 1py6 h PHE 42 N -0.48 1.10 -0.74 1.91 0.04 -1.08 -2.21 116.94 115.48 1py6 h PHE 42 Ca 0.02 -0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.74 1py6 h PHE 42 Cb 0.49 -0.35 -0.03 0.00 2.20 0.00 0.00 35.95 38.25 1py6 h PHE 42 CO -0.22 0.77 0.37 1.88 -0.60 0.00 0.00 178.31 180.52 1py6 h TYR 43 N 1.11 1.05 -0.61 -0.55 0.05 -0.21 -0.15 116.97 117.65 1py6 h TYR 43 Ca 0.28 -0.04 -0.08 0.00 0.05 0.00 0.00 58.73 58.93 1py6 h TYR 43 Cb 0.04 -0.33 -0.02 0.00 1.01 0.00 0.00 36.73 37.43 1py6 h TYR 43 CO 0.00 0.76 0.05 0.00 -1.05 0.00 0.00 178.16 177.93 1py6 h ALA 44 N 1.19 0.82 -0.01 3.88 0.00 -0.36 -0.82 119.26 123.96 1py6 h ALA 44 Ca 0.26 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1py6 h ALA 44 Cb 0.09 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1py6 h ALA 44 CO -0.04 0.62 -0.00 0.82 0.00 0.00 0.00 179.25 180.65 1py6 h ILE 45 N 0.95 1.32 0.00 0.00 2.04 -1.18 -2.83 117.51 117.81 1py6 h ILE 45 Ca 0.18 -0.97 -0.03 0.00 1.00 0.00 0.00 64.86 65.04 1py6 h ILE 45 Cb 0.49 1.96 -0.00 0.00 -0.74 0.00 0.00 36.82 38.53 1py6 h ILE 45 CO 0.02 0.25 -0.15 0.74 0.00 0.00 0.00 178.15 179.02 1py6 h THR 46 N -0.38 0.50 0.20 -0.27 2.02 -0.98 -2.86 112.91 111.14 1py6 h THR 46 Ca 0.00 -0.73 -0.32 0.00 0.77 0.00 0.00 66.41 66.13 1py6 h THR 46 Cb 0.42 1.50 0.02 0.00 -1.74 0.00 0.00 68.15 68.34 1py6 h THR 46 CO 0.00 0.14 -1.47 0.74 0.37 0.00 0.00 175.52 175.31 1py6 h THR 47 N 0.00 1.27 -0.47 3.16 2.02 -1.18 -3.32 112.91 114.39 1py6 h THR 47 Ca -0.00 -2.78 -0.03 0.00 0.77 0.00 0.00 66.41 64.37 1py6 h THR 47 Cb 0.49 2.94 -0.02 0.00 -1.74 0.00 0.00 68.15 69.82 1py6 h THR 47 CO 0.02 0.84 0.19 0.25 0.37 0.00 0.00 175.52 177.19 1py6 h LEU 48 N 0.11 0.61 0.24 2.58 5.85 -1.29 -2.86 115.31 120.56 1py6 h LEU 48 Ca -0.24 -0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.42 1py6 h LEU 48 Cb 2.09 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 42.93 1py6 h LEU 48 CO 0.23 0.56 -0.40 0.58 -0.34 0.00 0.00 178.44 179.07 1py6 h VAL 49 N 0.67 0.20 0.00 1.05 2.07 -1.61 -1.16 116.25 117.47 1py6 h VAL 49 Ca 0.16 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.68 1py6 h VAL 49 Cb 0.14 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.11 1py6 h VAL 49 CO -0.02 0.00 0.00 1.55 0.02 0.00 0.00 177.57 179.12 1py6 h PRO 50 N -0.71 0.00 -0.36 1.57 0.13 -1.72 -2.71 132.00 128.20 1py6 h PRO 50 Ca -0.00 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.05 1py6 h PRO 50 Cb 0.69 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.80 1py6 h PRO 50 CO -0.16 0.00 -0.08 0.00 -0.23 0.00 0.00 178.00 177.53 1py6 h ALA 51 N 2.14 0.50 -0.28 -0.56 0.00 -1.20 0.68 119.26 120.54 1py6 h ALA 51 Ca 0.00 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.52 1py6 h ALA 51 Cb 0.66 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1py6 h ALA 51 CO 0.00 0.34 -0.18 0.82 0.00 0.00 0.00 179.25 180.23 1py6 h ILE 52 N 0.49 1.30 -0.77 0.00 2.04 -1.13 -2.61 117.51 116.82 1py6 h ILE 52 Ca 0.09 -1.31 0.01 0.00 1.00 0.00 0.00 64.86 64.65 1py6 h ILE 52 Cb 0.59 1.55 -0.04 0.00 -0.74 0.00 0.00 36.82 38.17 1py6 h ILE 52 CO 0.03 0.42 0.51 0.00 0.00 0.00 0.00 178.15 179.11 1py6 h ALA 53 N 0.72 0.98 -0.10 1.87 0.00 -1.38 -2.08 119.26 119.27 1py6 h ALA 53 Ca 0.06 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.94 1py6 h ALA 53 Cb 0.72 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1py6 h ALA 53 CO 0.05 0.39 -0.04 0.35 0.00 0.00 0.00 179.25 180.00 1py6 h PHE 54 N 1.04 -0.10 -0.86 0.00 3.57 -0.79 0.17 116.94 119.98 1py6 h PHE 54 Ca 0.29 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.82 1py6 h PHE 54 Cb -0.11 0.06 -0.05 0.00 2.79 0.00 0.00 35.95 38.64 1py6 h PHE 54 CO -0.02 -0.07 0.56 1.79 -2.23 0.00 0.00 178.31 178.34 1py6 h THR 55 N -0.03 1.17 -0.19 4.41 1.35 -1.11 0.09 112.91 118.60 1py6 h THR 55 Ca 0.06 -0.38 -0.20 0.00 -0.55 0.00 0.00 66.41 65.34 1py6 h THR 55 Cb 0.11 -0.04 0.01 0.00 -1.73 0.00 0.00 68.15 66.50 1py6 h THR 55 CO -0.12 0.20 -0.66 0.24 -0.25 0.00 0.00 175.52 174.93 1py6 h MET 56 N 1.11 0.78 -0.83 4.72 2.86 -1.07 -0.92 114.93 121.57 1py6 h MET 56 Ca 0.33 -0.59 -0.03 0.00 -2.06 0.00 0.00 59.70 57.35 1py6 h MET 56 Cb -0.05 0.11 -0.04 0.00 0.06 0.00 0.00 31.60 31.68 1py6 h MET 56 CO -0.10 1.20 0.39 1.88 1.06 0.00 0.00 176.91 181.35 1py6 h TYR 57 N 0.51 1.21 -0.34 -0.22 0.05 -0.46 -0.68 116.97 117.05 1py6 h TYR 57 Ca -0.03 -0.06 -0.02 0.00 0.05 0.00 0.00 58.73 58.67 1py6 h TYR 57 Cb 1.29 -0.37 -0.02 0.00 1.01 0.00 0.00 36.73 38.64 1py6 h TYR 57 CO 0.09 0.88 0.15 1.25 -1.05 0.00 0.00 178.16 179.47 1py6 h LEU 58 N 1.18 0.45 -0.29 3.88 6.46 -0.90 0.39 115.31 126.48 1py6 h LEU 58 Ca 0.28 -0.15 0.01 0.00 -0.12 0.00 0.00 57.88 57.91 1py6 h LEU 58 Cb 0.13 -0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 39.93 1py6 h LEU 58 CO -0.03 0.48 0.17 0.28 -0.62 0.00 0.00 178.44 178.71 1py6 h SER 59 N 0.40 0.28 -0.62 1.25 0.02 -0.79 0.60 113.55 114.68 1py6 h SER 59 Ca 0.11 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.00 1py6 h SER 59 Cb 0.16 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 62.61 1py6 h SER 59 CO -0.01 0.20 0.16 0.24 -1.14 0.00 0.00 176.83 176.28 1py6 h MET 60 N 0.35 1.02 -0.79 3.45 2.86 -0.90 0.13 114.93 121.05 1py6 h MET 60 Ca 0.12 -0.23 0.01 0.00 -2.06 0.00 0.00 59.70 57.53 1py6 h MET 60 Cb -0.00 -0.14 -0.04 0.00 0.06 0.00 0.00 31.60 31.48 1py6 h MET 60 CO -0.05 0.90 0.51 1.25 1.06 0.00 0.00 176.91 180.58 1py6 h LEU 61 N 0.97 0.91 0.00 1.22 5.85 0.39 -1.95 115.31 122.70 1py6 h LEU 61 Ca 0.21 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.90 1py6 h LEU 61 Cb 0.34 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.14 1py6 h LEU 61 CO -0.00 0.67 0.00 0.18 -0.34 0.00 0.00 178.44 178.95 1py6 n LEU 62 N -4.53 0.00 0.00 2.25 4.77 0.14 -4.88 117.00 114.76 1py6 n LEU 62 Ca 0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 1py6 n LEU 62 Cb 0.02 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1py6 n LEU 62 CO 0.36 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 1py6 n GLY 63 N 0.63 0.92 3.91 -0.72 0.00 -0.60 -5.05 105.19 104.29 1py6 n GLY 63 Ca 0.12 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.93 1py6 n GLY 63 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1py6 s TYR 64 N -2.01 2.49 -0.87 1.61 1.51 -0.08 -4.61 117.35 115.38 1py6 s TYR 64 Ca 0.00 -0.54 0.00 0.00 -1.01 0.00 0.00 57.07 55.52 1py6 s TYR 64 Cb 0.00 -2.18 0.00 0.00 -0.11 0.00 0.00 41.96 39.67 1py6 s TYR 64 CO 0.00 -0.29 0.00 0.41 -1.11 0.00 0.00 175.55 174.56 1py6 n GLY 65 N -1.67 0.99 3.21 0.71 0.00 -1.26 -3.66 105.19 103.50 1py6 n GLY 65 Ca 0.05 -0.48 -0.30 0.00 0.00 0.00 0.00 46.02 45.28 1py6 n GLY 65 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1py6 s LEU 66 N -1.86 2.02 0.00 0.99 2.96 -1.26 -0.27 118.68 121.27 1py6 s LEU 66 Ca 0.00 -0.49 -0.01 0.00 -0.22 0.00 0.00 54.13 53.41 1py6 s LEU 66 Cb 0.00 -1.29 -0.01 0.00 0.50 0.00 0.00 46.19 45.39 1py6 s LEU 66 CO 0.00 0.18 0.01 0.28 -1.32 0.00 0.00 176.35 175.50 1py6 s THR 67 N 0.14 0.05 -0.32 3.68 -1.32 -0.13 -4.95 115.64 112.79 1py6 s THR 67 Ca -0.11 -0.44 -0.19 0.00 -1.21 0.00 0.00 61.69 59.74 1py6 s THR 67 Cb -0.15 -0.16 -0.01 0.00 -1.51 0.00 0.00 72.50 70.66 1py6 s THR 67 CO 0.06 -0.24 0.57 -0.04 -2.21 0.00 0.00 174.62 172.75 1py6 s MET 68 N -0.72 3.81 -0.17 7.08 1.00 -1.26 0.63 119.30 129.67 1py6 s MET 68 Ca -0.08 0.11 -0.03 0.00 0.00 0.00 0.00 55.69 55.69 1py6 s MET 68 Cb -0.05 -3.75 -0.02 0.00 0.00 0.00 0.00 34.83 31.01 1py6 s MET 68 CO -0.00 -0.57 -0.05 0.08 0.00 0.00 0.00 175.02 174.47 1py6 s VAL 69 N 2.49 3.62 -0.06 -6.03 1.01 0.22 -4.82 120.40 116.83 1py6 s VAL 69 Ca 0.22 -0.44 -0.26 0.00 0.00 0.00 0.00 61.98 61.50 1py6 s VAL 69 Cb -0.15 -2.59 -0.03 0.00 0.00 0.00 0.00 36.38 33.61 1py6 s VAL 69 CO 0.12 0.48 0.80 -2.16 0.00 0.00 0.00 175.10 174.34 1py6 s PRO 70 N 0.65 4.46 -0.23 2.72 0.04 -1.26 -0.28 135.00 141.10 1py6 s PRO 70 Ca -0.03 1.05 -0.34 0.00 0.04 0.00 0.00 61.00 61.72 1py6 s PRO 70 Cb -0.15 -3.47 0.15 0.00 0.04 0.00 0.00 34.50 31.08 1py6 s PRO 70 CO 0.02 -0.02 1.26 -0.59 0.04 0.00 0.00 177.00 177.72 1py6 s PHE 71 N 1.02 -0.10 -1.03 0.56 -0.12 -0.67 -4.54 117.98 113.10 1py6 s PHE 71 Ca 0.42 0.10 0.00 0.00 -0.05 0.00 0.00 56.93 57.40 1py6 s PHE 71 Cb -0.19 0.50 0.00 0.00 -0.63 0.00 0.00 43.02 42.71 1py6 s PHE 71 CO 0.20 -0.14 0.00 0.41 -0.05 0.00 0.00 175.22 175.64 1py6 n GLY 72 N 0.13 1.03 2.15 1.99 0.00 -1.26 -1.23 105.19 108.00 1py6 n GLY 72 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1py6 n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1py6 n GLY 73 N -0.64 0.72 3.53 -0.02 0.00 -1.26 -5.02 105.19 102.50 1py6 n GLY 73 Ca -0.10 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.67 1py6 n GLY 73 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1py6 s GLU 74 N -0.11 1.78 -0.73 1.61 0.41 -0.36 -5.08 118.70 116.22 1py6 s GLU 74 Ca 0.00 -1.94 -0.12 0.00 -0.41 0.00 0.00 54.97 52.50 1py6 s GLU 74 Cb 0.00 -1.51 0.19 0.00 -1.78 0.00 0.00 34.13 31.03 1py6 s GLU 74 CO 0.00 0.05 0.64 -1.14 -0.49 0.00 0.00 175.26 174.33 1py6 s GLN 75 N -3.68 3.26 -0.03 1.61 2.00 -1.26 -1.68 119.66 119.89 1py6 s GLN 75 Ca 0.33 -2.33 -0.25 0.00 -2.00 0.00 0.00 55.36 51.11 1py6 s GLN 75 Cb 0.05 -4.25 -0.04 0.00 0.80 0.00 0.00 33.01 29.57 1py6 s GLN 75 CO 0.16 -1.27 0.78 -0.80 -0.50 0.00 0.00 175.29 173.66 1py6 s ASN 76 N 2.13 7.12 -0.49 6.67 -0.87 0.62 -4.76 114.94 125.35 1py6 s ASN 76 Ca 0.15 1.35 -0.28 0.00 -1.57 0.00 0.00 52.86 52.50 1py6 s ASN 76 Cb -0.16 -2.46 0.01 0.00 -0.02 0.00 0.00 41.25 38.63 1py6 s ASN 76 CO -0.06 -0.13 1.38 -2.16 -2.57 0.00 0.00 177.10 173.56 1py6 s PRO 77 N 0.70 3.47 -0.25 -0.60 0.04 -1.26 0.72 135.00 137.82 1py6 s PRO 77 Ca 0.41 0.67 -0.03 0.00 0.04 0.00 0.00 61.00 62.09 1py6 s PRO 77 Cb -0.19 -4.05 0.02 0.00 0.04 0.00 0.00 34.50 30.31 1py6 s PRO 77 CO 0.21 -1.71 -0.03 0.42 0.04 0.00 0.00 177.00 175.93 1py6 s ILE 78 N 5.59 3.18 -0.80 0.56 -1.09 0.21 -4.86 121.20 123.98 1py6 s ILE 78 Ca 0.56 -0.86 -0.25 0.00 -2.23 0.00 0.00 60.65 57.86 1py6 s ILE 78 Cb -0.11 -2.59 0.05 0.00 -1.58 0.00 0.00 42.46 38.23 1py6 s ILE 78 CO 0.29 0.22 1.26 -0.31 -1.23 0.00 0.00 174.94 175.17 1py6 s TYR 79 N 1.39 2.45 -0.45 3.97 2.02 -1.26 -0.96 117.35 124.51 1py6 s TYR 79 Ca 0.02 -0.39 0.23 0.00 -0.37 0.00 0.00 57.07 56.56 1py6 s TYR 79 Cb -0.16 -4.57 0.36 0.00 -0.40 0.00 0.00 41.96 37.18 1py6 s TYR 79 CO -0.03 -1.95 1.60 0.11 -1.57 0.00 0.00 175.55 173.71 1py6 h TRP 80 N 9.84 0.00 -0.31 2.71 5.08 -1.00 -3.22 115.95 129.05 1py6 h TRP 80 Ca -0.15 0.00 0.09 0.00 1.08 0.00 0.00 58.89 59.91 1py6 h TRP 80 Cb 1.04 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.19 1py6 h TRP 80 CO 1.14 0.00 0.29 0.00 -1.28 0.00 0.00 178.44 178.59 1py6 h ALA 81 N 2.03 2.04 -0.91 0.11 0.00 -1.77 -1.29 119.26 119.48 1py6 h ALA 81 Ca 0.00 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.95 1py6 h ALA 81 Cb 0.98 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.74 1py6 h ALA 81 CO 0.00 -0.45 0.58 0.00 0.00 0.00 0.00 179.25 179.38 1py6 h ARG 82 N 0.00 1.07 0.00 0.00 3.08 -1.85 -1.33 114.38 115.35 1py6 h ARG 82 Ca 0.15 -0.06 -0.07 0.00 0.07 0.00 0.00 59.98 60.06 1py6 h ARG 82 Cb 0.73 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.53 1py6 h ARG 82 CO -0.00 0.71 -0.36 1.88 -1.07 0.00 0.00 179.97 181.13 1py6 h TYR 83 N 1.10 0.00 -0.10 3.04 0.05 -1.48 0.31 116.97 119.90 1py6 h TYR 83 Ca 0.38 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 59.04 1py6 h TYR 83 Cb 0.08 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.80 1py6 h TYR 83 CO -0.02 0.36 -0.44 0.00 -1.05 0.00 0.00 178.16 177.01 1py6 h ALA 84 N 1.64 1.07 0.17 3.88 0.00 -1.25 0.95 119.26 125.72 1py6 h ALA 84 Ca -0.00 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 1py6 h ALA 84 Cb 0.93 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1py6 h ALA 84 CO 0.05 0.61 -0.08 0.22 0.00 0.00 0.00 179.25 180.05 1py6 h ASP 85 N 0.19 -0.19 -0.38 0.00 1.82 -0.85 -3.36 116.42 113.65 1py6 h ASP 85 Ca 0.01 0.01 0.11 0.00 -0.39 0.00 0.00 57.03 56.77 1py6 h ASP 85 Cb 0.86 0.05 -0.02 0.00 0.68 0.00 0.00 39.33 40.90 1py6 h ASP 85 CO 0.07 0.04 0.29 -0.50 -1.61 0.00 0.00 179.24 177.52 1py6 h TRP 86 N -0.58 0.00 -0.87 0.28 6.55 -0.96 -1.69 115.95 118.69 1py6 h TRP 86 Ca -0.02 0.00 0.11 0.00 0.95 0.00 0.00 58.89 59.93 1py6 h TRP 86 Cb 0.17 0.00 -0.07 0.00 -0.86 0.00 0.00 29.16 28.41 1py6 h TRP 86 CO 0.04 0.00 0.56 1.25 -1.05 0.00 0.00 178.44 179.24 1py6 h LEU 87 N 0.00 0.72 0.00 -4.49 5.85 -0.94 -2.14 115.31 114.31 1py6 h LEU 87 Ca 0.18 0.03 -0.35 0.00 0.84 0.00 0.00 57.88 58.58 1py6 h LEU 87 Cb 0.75 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.60 1py6 h LEU 87 CO -0.00 0.40 -2.30 0.49 -0.34 0.00 0.00 178.44 176.69 1py6 n PHE 88 N -4.54 0.00 0.07 1.25 3.72 -0.93 -4.43 117.46 112.60 1py6 n PHE 88 Ca 0.16 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.38 1py6 n PHE 88 Cb 0.37 -0.92 -0.09 0.00 -0.94 0.00 0.00 39.48 37.90 1py6 n PHE 88 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 1py6 h THR 89 N 0.00 1.35 -0.32 4.37 1.35 -1.30 -3.06 112.91 115.29 1py6 h THR 89 Ca -0.52 -2.45 -0.03 0.00 -0.55 0.00 0.00 66.41 62.87 1py6 h THR 89 Cb 2.07 2.51 -0.01 0.00 -1.73 0.00 0.00 68.15 70.99 1py6 h THR 89 CO -0.00 0.74 0.09 0.71 -0.25 0.00 0.00 175.52 176.81 1py6 h THR 90 N 0.27 1.22 -0.05 6.82 1.35 -1.63 -1.73 112.91 119.15 1py6 h THR 90 Ca -0.12 -0.71 -0.07 0.00 -0.55 0.00 0.00 66.41 64.96 1py6 h THR 90 Cb 1.71 1.07 -0.01 0.00 -1.73 0.00 0.00 68.15 69.19 1py6 h THR 90 CO 0.19 0.24 -0.29 1.55 -0.25 0.00 0.00 175.52 176.96 1py6 h PRO 91 N 0.37 0.10 -0.63 4.72 0.13 -1.77 -1.81 132.00 133.11 1py6 h PRO 91 Ca 0.10 -0.03 -0.07 0.00 -0.87 0.00 0.00 66.00 65.14 1py6 h PRO 91 Cb 0.28 -0.01 -0.03 0.00 0.13 0.00 0.00 31.00 31.38 1py6 h PRO 91 CO -0.00 0.38 0.14 -0.07 -0.23 0.00 0.00 178.00 178.22 1py6 h LEU 92 N 0.09 0.98 -0.72 1.56 3.38 -1.39 0.15 115.31 119.35 1py6 h LEU 92 Ca 0.01 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.70 1py6 h LEU 92 Cb 0.56 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 1py6 h LEU 92 CO 0.04 0.97 0.30 -0.07 0.09 0.00 0.00 178.44 179.76 1py6 h LEU 93 N 0.94 0.99 -0.84 1.67 3.38 -0.96 -0.85 115.31 119.64 1py6 h LEU 93 Ca 0.20 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1py6 h LEU 93 Cb 0.39 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 1py6 h LEU 93 CO 0.01 0.88 0.48 -0.07 0.09 0.00 0.00 178.44 179.83 1py6 h LEU 94 N 1.03 1.03 -0.71 1.67 4.07 -0.86 -2.36 115.31 119.18 1py6 h LEU 94 Ca 0.24 -0.08 -0.04 0.00 0.08 0.00 0.00 57.88 58.07 1py6 h LEU 94 Cb 0.20 -0.26 -0.03 0.00 1.08 0.00 0.00 40.66 41.65 1py6 h LEU 94 CO -0.02 0.82 0.28 0.25 -1.08 0.00 0.00 178.44 178.68 1py6 h LEU 95 N 1.16 0.98 -0.34 1.67 5.85 -0.07 -0.24 115.31 124.32 1py6 h LEU 95 Ca 0.30 -0.17 0.05 0.00 0.84 0.00 0.00 57.88 58.90 1py6 h LEU 95 Cb -0.00 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 40.73 1py6 h LEU 95 CO -0.05 0.89 0.05 0.44 -0.34 0.00 0.00 178.44 179.43 1py6 h ASP 96 N 1.01 -0.02 -0.71 1.25 3.32 -0.69 0.11 116.42 120.69 1py6 h ASP 96 Ca 0.24 0.06 -0.05 0.00 0.02 0.00 0.00 57.03 57.29 1py6 h ASP 96 Cb 0.22 0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.83 1py6 h ASP 96 CO -0.02 0.02 0.24 -0.07 -1.72 0.00 0.00 179.24 177.69 1py6 h LEU 97 N 0.16 1.03 -0.30 1.55 3.38 -1.06 -2.10 115.31 117.97 1py6 h LEU 97 Ca 0.16 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1py6 h LEU 97 Cb 0.19 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1py6 h LEU 97 CO -0.23 0.95 0.14 0.00 0.09 0.00 0.00 178.44 179.39 1py6 h ALA 98 N 1.11 0.39 -0.23 1.53 0.00 -0.44 -2.59 119.26 119.03 1py6 h ALA 98 Ca 0.23 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1py6 h ALA 98 Cb 0.28 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1py6 h ALA 98 CO -0.01 -0.04 -0.08 -0.07 0.00 0.00 0.00 179.25 179.05 1py6 h LEU 99 N 0.35 0.34 -0.56 0.00 3.38 -0.70 0.02 115.31 118.14 1py6 h LEU 99 Ca 0.10 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 1py6 h LEU 99 Cb 0.14 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1py6 h LEU 99 CO -0.01 0.46 0.23 0.25 0.09 0.00 0.00 178.44 179.46 1py6 h LEU 100 N 0.35 0.76 -2.42 1.67 5.85 -1.00 -3.03 115.31 117.49 1py6 h LEU 100 Ca 0.07 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.63 1py6 h LEU 100 Cb 0.36 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.19 1py6 h LEU 100 CO 0.02 0.72 0.00 1.33 -0.34 0.00 0.00 178.44 180.17 1py6 n VAL 101 N -4.51 0.75 -3.49 1.05 0.24 -1.05 -4.95 118.33 106.37 1py6 n VAL 101 Ca 0.03 -0.84 -0.21 0.00 -2.04 0.00 0.00 64.34 61.28 1py6 n VAL 101 Cb 0.16 0.64 0.08 0.00 -1.47 0.00 0.00 33.84 33.25 1py6 n VAL 101 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1py6 n ASP 102 N 1.47 -4.80 -4.62 -1.34 2.03 -0.71 -4.54 116.55 104.04 1py6 n ASP 102 Ca 0.22 -0.54 -0.32 0.00 0.52 0.00 0.00 54.79 54.66 1py6 n ASP 102 Cb 0.58 -4.89 0.15 0.00 -0.72 0.00 0.00 41.12 36.25 1py6 n ASP 102 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1py6 n ALA 103 N -4.61 -1.00 -2.14 -1.67 0.00 -0.09 -4.99 120.51 106.02 1py6 n ALA 103 Ca -0.09 -0.52 -0.30 0.00 0.00 0.00 0.00 53.44 52.53 1py6 n ALA 103 Cb 0.59 -2.13 -0.02 0.00 0.00 0.00 0.00 19.45 17.89 1py6 n ALA 103 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1py6 s ASP 104 N -2.40 6.47 0.27 0.00 1.01 -1.26 -4.92 116.67 115.84 1py6 s ASP 104 Ca 0.66 1.17 -0.01 0.00 0.71 0.00 0.00 52.55 55.08 1py6 s ASP 104 Cb -0.24 -2.34 0.46 0.00 1.01 0.00 0.00 42.92 41.81 1py6 s ASP 104 CO 0.58 -0.48 1.86 -0.61 0.21 0.00 0.00 175.17 176.73 1py6 h GLN 105 N 0.94 1.04 -0.84 8.23 4.15 -1.99 -1.51 115.11 125.14 1py6 h GLN 105 Ca -0.47 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 58.88 1py6 h GLN 105 Cb 1.19 -0.24 -0.04 0.00 0.21 0.00 0.00 27.48 28.60 1py6 h GLN 105 CO 0.63 0.69 0.50 0.78 -1.93 0.00 0.00 178.83 179.50 1py6 h GLY 106 N 1.08 1.23 0.87 2.39 0.00 -1.99 0.36 103.07 107.01 1py6 h GLY 106 Ca 0.46 -0.52 -0.00 0.00 0.00 0.00 0.00 47.33 47.26 1py6 h GLY 106 CO -0.22 0.51 -0.01 -0.84 0.00 0.00 0.00 176.54 175.98 1py6 h THR 107 N 1.16 1.08 -0.20 4.70 2.02 -1.70 -1.16 112.91 118.80 1py6 h THR 107 Ca 0.30 -0.30 0.02 0.00 0.77 0.00 0.00 66.41 67.20 1py6 h THR 107 Cb -0.03 1.28 -0.02 0.00 -1.74 0.00 0.00 68.15 67.64 1py6 h THR 107 CO -0.05 0.08 0.07 0.40 0.37 0.00 0.00 175.52 176.39 1py6 h ILE 108 N -0.16 0.96 -0.33 3.11 2.04 -1.07 0.14 117.51 122.21 1py6 h ILE 108 Ca -0.00 -0.06 0.05 0.00 1.00 0.00 0.00 64.86 65.84 1py6 h ILE 108 Cb 0.15 0.77 -0.04 0.00 -0.74 0.00 0.00 36.82 36.95 1py6 h ILE 108 CO 0.00 0.03 0.08 0.25 0.00 0.00 0.00 178.15 178.51 1py6 h LEU 109 N 0.17 0.03 -1.05 1.44 6.46 -0.82 0.88 115.31 122.42 1py6 h LEU 109 Ca 0.09 0.05 -0.05 0.00 -0.12 0.00 0.00 57.88 57.85 1py6 h LEU 109 Cb 0.05 0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 40.02 1py6 h LEU 109 CO -0.09 0.06 0.11 0.00 -0.62 0.00 0.00 178.44 177.90 1py6 h ALA 110 N 1.24 1.23 -0.22 1.25 0.00 -0.72 -0.49 119.26 121.56 1py6 h ALA 110 Ca 0.15 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 1py6 h ALA 110 Cb 0.16 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1py6 h ALA 110 CO -0.19 0.53 -0.25 -0.07 0.00 0.00 0.00 179.25 179.27 1py6 h LEU 111 N 0.76 0.59 -1.06 0.00 3.38 0.14 -1.18 115.31 117.95 1py6 h LEU 111 Ca 0.17 -0.49 -0.07 0.00 0.09 0.00 0.00 57.88 57.58 1py6 h LEU 111 Cb 0.30 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1py6 h LEU 111 CO -0.00 0.96 -0.11 0.58 0.09 0.00 0.00 178.44 179.97 1py6 h VAL 112 N 0.24 1.23 -0.37 1.22 2.07 -0.72 -0.49 116.25 119.43 1py6 h VAL 112 Ca 0.03 -1.02 -0.14 0.00 0.82 0.00 0.00 66.70 66.40 1py6 h VAL 112 Cb 0.81 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 1py6 h VAL 112 CO 0.06 0.34 -0.30 1.23 0.02 0.00 0.00 177.57 178.91 1py6 h GLY 113 N 0.93 0.93 1.21 2.17 0.00 -1.02 0.72 103.07 108.00 1py6 h GLY 113 Ca 0.09 -0.91 -0.07 0.00 0.00 0.00 0.00 47.33 46.44 1py6 h GLY 113 CO 0.03 0.83 0.11 0.00 0.00 0.00 0.00 176.54 177.51 1py6 h ALA 114 N 0.77 1.05 -0.58 3.60 0.00 -0.95 -1.76 119.26 121.39 1py6 h ALA 114 Ca 0.07 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 1py6 h ALA 114 Cb 0.88 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1py6 h ALA 114 CO 0.08 0.62 0.20 0.22 0.00 0.00 0.00 179.25 180.36 1py6 h ASP 115 N 0.92 0.83 -0.78 0.00 1.82 -0.91 -0.20 116.42 118.11 1py6 h ASP 115 Ca 0.19 -0.20 -0.02 0.00 -0.39 0.00 0.00 57.03 56.61 1py6 h ASP 115 Cb 0.38 -0.22 -0.04 0.00 0.68 0.00 0.00 39.33 40.14 1py6 h ASP 115 CO 0.01 0.80 0.41 1.23 -1.61 0.00 0.00 179.24 180.08 1py6 h GLY 116 N 0.81 1.18 0.94 -0.78 0.00 -0.40 -1.95 103.07 102.86 1py6 h GLY 116 Ca 0.19 -0.55 -0.02 0.00 0.00 0.00 0.00 47.33 46.94 1py6 h GLY 116 CO -0.01 0.53 0.15 -2.22 0.00 0.00 0.00 176.54 174.99 1py6 h ILE 117 N 1.08 1.20 -0.37 2.60 2.04 -0.98 0.07 117.51 123.15 1py6 h ILE 117 Ca 0.27 -0.62 0.06 0.00 1.00 0.00 0.00 64.86 65.57 1py6 h ILE 117 Cb 0.06 0.87 -0.05 0.00 -0.74 0.00 0.00 36.82 36.96 1py6 h ILE 117 CO -0.04 0.22 0.07 -0.03 0.00 0.00 0.00 178.15 178.37 1py6 h MET 118 N 0.49 0.19 -0.05 2.37 4.05 -0.64 0.11 114.93 121.45 1py6 h MET 118 Ca 0.13 -0.01 -0.22 0.00 -0.28 0.00 0.00 59.70 59.32 1py6 h MET 118 Cb 0.20 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 30.96 1py6 h MET 118 CO -0.01 0.13 -0.87 0.82 0.23 0.00 0.00 176.91 177.21 1py6 h ILE 119 N 0.20 1.36 0.23 1.77 1.08 -1.32 -2.23 117.51 118.59 1py6 h ILE 119 Ca 0.18 -2.25 -0.01 0.00 -0.39 0.00 0.00 64.86 62.39 1py6 h ILE 119 Cb 0.21 2.25 0.00 0.00 -3.07 0.00 0.00 36.82 36.21 1py6 h ILE 119 CO -0.24 0.68 -0.11 1.23 -0.69 0.00 0.00 178.15 179.03 1py6 h GLY 120 N 1.03 -0.32 1.93 5.37 0.00 -0.69 -1.31 103.07 109.07 1py6 h GLY 120 Ca -0.07 0.12 -0.09 0.00 0.00 0.00 0.00 47.33 47.29 1py6 h GLY 120 CO 0.16 -0.12 -0.42 -0.91 0.00 0.00 0.00 176.54 175.25 1py6 h THR 121 N -0.55 1.31 -0.19 4.70 1.35 -0.90 -1.87 112.91 116.76 1py6 h THR 121 Ca -0.03 -1.47 0.01 0.00 -0.55 0.00 0.00 66.41 64.37 1py6 h THR 121 Cb 0.40 1.75 -0.01 0.00 -1.73 0.00 0.00 68.15 68.55 1py6 h THR 121 CO 0.05 0.42 0.10 1.23 -0.25 0.00 0.00 175.52 177.08 1py6 h GLY 122 N 1.25 0.26 0.99 5.82 0.00 -1.26 0.10 103.07 110.23 1py6 h GLY 122 Ca 0.00 -0.07 -0.08 0.00 0.00 0.00 0.00 47.33 47.18 1py6 h GLY 122 CO 0.06 0.07 -0.03 -2.00 0.00 0.00 0.00 176.54 174.63 1py6 h LEU 123 N 0.22 0.81 -0.90 3.11 5.85 -1.04 0.50 115.31 123.86 1py6 h LEU 123 Ca 0.08 -0.32 0.06 0.00 0.84 0.00 0.00 57.88 58.53 1py6 h LEU 123 Cb 0.01 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 40.76 1py6 h LEU 123 CO -0.05 0.94 0.56 0.58 -0.34 0.00 0.00 178.44 180.14 1py6 h VAL 124 N 0.66 1.06 -0.37 1.05 2.07 -1.08 0.20 116.25 119.84 1py6 h VAL 124 Ca 0.12 -0.35 -0.13 0.00 0.82 0.00 0.00 66.70 67.16 1py6 h VAL 124 Cb 0.54 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.25 1py6 h VAL 124 CO 0.03 0.19 -0.28 1.23 0.02 0.00 0.00 177.57 178.76 1py6 h GLY 125 N 1.03 0.93 2.00 2.17 0.00 -0.46 -0.79 103.07 107.95 1py6 h GLY 125 Ca 0.39 -0.90 -0.00 0.00 0.00 0.00 0.00 47.33 46.82 1py6 h GLY 125 CO -0.17 0.81 -0.00 0.00 0.00 0.00 0.00 176.54 177.18 1py6 h ALA 126 N 0.78 1.01 0.00 3.60 0.00 0.10 -2.82 119.26 121.92 1py6 h ALA 126 Ca 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1py6 h ALA 126 Cb 0.86 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1py6 h ALA 126 CO 0.07 0.01 -1.07 1.28 0.00 0.00 0.00 179.25 179.54 1py6 n LEU 127 N -3.11 0.70 -4.75 0.00 4.77 -0.04 -4.96 117.00 109.62 1py6 n LEU 127 Ca -0.01 -0.40 -0.41 0.00 -0.03 0.00 0.00 56.01 55.15 1py6 n LEU 127 Cb 0.18 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.25 1py6 n LEU 127 CO 0.23 0.18 1.13 -0.89 -1.33 0.00 0.00 177.39 176.71 1py6 s THR 128 N -2.86 2.44 -0.37 -5.08 2.01 -0.33 -4.95 115.64 106.50 1py6 s THR 128 Ca 0.04 0.39 0.23 0.00 0.31 0.00 0.00 61.69 62.66 1py6 s THR 128 Cb 0.14 -3.25 0.01 0.00 0.01 0.00 0.00 72.50 69.40 1py6 s THR 128 CO 0.77 0.07 1.12 0.11 -0.69 0.00 0.00 174.62 176.00 1py6 h LYS 129 N 4.49 0.00 -5.53 4.92 1.57 -1.90 -3.44 116.57 116.68 1py6 h LYS 129 Ca -0.47 0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 57.67 1py6 h LYS 129 Cb 1.22 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 33.40 1py6 h LYS 129 CO 0.75 0.00 0.18 0.08 -0.57 0.00 0.00 179.45 179.89 1py6 s VAL 130 N -3.30 4.83 0.17 0.50 1.01 -1.26 -4.54 120.40 117.82 1py6 s VAL 130 Ca 0.02 0.49 -0.24 0.00 0.00 0.00 0.00 61.98 62.25 1py6 s VAL 130 Cb 0.11 -4.14 0.06 0.00 0.00 0.00 0.00 36.38 32.41 1py6 s VAL 130 CO 0.77 -0.43 1.58 0.22 0.00 0.00 0.00 175.10 177.24 1py6 h TYR 131 N 8.61 -1.14 -0.54 5.22 5.03 -1.92 -1.95 116.97 130.28 1py6 h TYR 131 Ca -0.26 0.08 -0.01 0.00 2.58 0.00 0.00 58.73 61.12 1py6 h TYR 131 Cb 1.10 0.58 -0.03 0.00 1.55 0.00 0.00 36.73 39.94 1py6 h TYR 131 CO 0.76 -0.41 0.30 0.66 -1.32 0.00 0.00 178.16 178.15 1py6 h SER 132 N -0.22 0.65 0.62 -2.11 4.64 -1.98 -2.12 113.55 113.03 1py6 h SER 132 Ca 0.19 -0.04 -0.02 0.00 -0.47 0.00 0.00 61.79 61.45 1py6 h SER 132 Cb 0.56 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1py6 h SER 132 CO -0.66 0.52 -0.12 1.88 -0.87 0.00 0.00 176.83 177.58 1py6 h TYR 133 N 0.74 0.00 -0.52 4.77 0.05 -1.78 -2.17 116.97 118.06 1py6 h TYR 133 Ca 0.19 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.97 1py6 h TYR 133 Cb 0.00 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.72 1py6 h TYR 133 CO 0.00 0.12 0.33 0.00 -1.05 0.00 0.00 178.16 177.56 1py6 h ARG 134 N 0.00 0.70 0.00 4.88 3.08 -1.03 -1.32 114.38 120.68 1py6 h ARG 134 Ca -0.00 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 1py6 h ARG 134 Cb 0.46 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.35 1py6 h ARG 134 CO 0.02 0.48 -0.12 0.74 -1.07 0.00 0.00 179.97 180.02 1py6 h PHE 135 N 0.72 0.00 -0.15 3.04 0.04 -1.50 -1.88 116.94 117.20 1py6 h PHE 135 Ca 0.19 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.90 1py6 h PHE 135 Cb -0.06 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.09 1py6 h PHE 135 CO 0.00 0.12 -0.15 0.28 -0.60 0.00 0.00 178.31 177.96 1py6 h VAL 136 N 0.00 1.34 -0.48 -0.55 2.07 -1.20 -0.14 116.25 117.30 1py6 h VAL 136 Ca -0.00 -1.31 -0.06 0.00 0.82 0.00 0.00 66.70 66.16 1py6 h VAL 136 Cb 1.00 1.85 -0.02 0.00 -1.52 0.00 0.00 31.29 32.60 1py6 h VAL 136 CO 0.01 0.39 0.08 -0.50 0.02 0.00 0.00 177.57 177.57 1py6 h TRP 137 N 0.01 0.85 -0.44 1.57 4.06 -1.43 -2.08 115.95 118.48 1py6 h TRP 137 Ca 0.02 -0.12 0.06 0.00 2.06 0.00 0.00 58.89 60.92 1py6 h TRP 137 Cb 0.68 -0.23 -0.05 0.00 -1.00 0.00 0.00 29.16 28.56 1py6 h TRP 137 CO 0.08 0.78 0.14 2.35 -3.56 0.00 0.00 178.44 178.24 1py6 h TRP 138 N 0.67 0.25 -0.51 0.49 7.01 -1.31 0.29 115.95 122.83 1py6 h TRP 138 Ca 0.15 0.02 0.06 0.00 2.11 0.00 0.00 58.89 61.23 1py6 h TRP 138 Cb 0.39 -0.05 -0.05 0.00 -2.10 0.00 0.00 29.16 27.36 1py6 h TRP 138 CO 0.03 0.08 0.23 0.00 -2.79 0.00 0.00 178.44 175.98 1py6 h ALA 139 N 1.30 0.65 -0.50 2.65 0.00 -0.76 -0.32 119.26 122.28 1py6 h ALA 139 Ca 0.21 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 55.05 1py6 h ALA 139 Cb 0.22 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1py6 h ALA 139 CO -0.23 -0.15 -0.13 0.82 0.00 0.00 0.00 179.25 179.57 1py6 h ILE 140 N 0.44 1.27 -0.81 0.00 2.04 -0.76 -1.96 117.51 117.73 1py6 h ILE 140 Ca 0.24 -1.27 -0.02 0.00 1.00 0.00 0.00 64.86 64.80 1py6 h ILE 140 Cb 0.20 1.05 -0.04 0.00 -0.74 0.00 0.00 36.82 37.30 1py6 h ILE 140 CO -0.20 0.44 0.43 -1.28 0.00 0.00 0.00 178.15 177.54 1py6 h SER 141 N 0.83 1.02 -0.11 1.72 0.87 -0.51 -1.99 113.55 115.37 1py6 h SER 141 Ca 0.13 -0.11 -0.10 0.00 -1.23 0.00 0.00 61.79 60.48 1py6 h SER 141 Cb 0.69 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.37 1py6 h SER 141 CO 0.05 0.84 -0.24 0.74 -0.53 0.00 0.00 176.83 177.69 1py6 h THR 142 N 1.13 1.27 -0.67 2.23 2.02 -0.91 -2.08 112.91 115.89 1py6 h THR 142 Ca 0.28 -1.29 -0.05 0.00 0.77 0.00 0.00 66.41 66.13 1py6 h THR 142 Cb 0.06 1.31 -0.03 0.00 -1.74 0.00 0.00 68.15 67.75 1py6 h THR 142 CO -0.04 0.41 0.22 0.00 0.37 0.00 0.00 175.52 176.48 1py6 h ALA 143 N 1.25 1.13 -0.60 6.16 0.00 -0.94 -0.53 119.26 125.72 1py6 h ALA 143 Ca 0.07 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 1py6 h ALA 143 Cb 0.68 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1py6 h ALA 143 CO 0.05 0.60 0.07 0.00 0.00 0.00 0.00 179.25 179.97 1py6 h ALA 144 N 1.26 0.80 -0.54 0.00 0.00 -1.02 -2.14 119.26 117.62 1py6 h ALA 144 Ca 0.22 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 1py6 h ALA 144 Cb 0.26 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1py6 h ALA 144 CO -0.01 0.59 0.01 1.98 0.00 0.00 0.00 179.25 181.82 1py6 h MET 145 N 0.92 0.91 -0.11 0.00 -1.53 -0.88 -1.94 114.93 112.30 1py6 h MET 145 Ca 0.18 -0.26 -0.09 0.00 -3.44 0.00 0.00 59.70 56.08 1py6 h MET 145 Cb 0.47 -0.10 -0.01 0.00 -0.55 0.00 0.00 31.60 31.41 1py6 h MET 145 CO 0.02 0.90 -0.36 -0.07 0.14 0.00 0.00 176.91 177.54 1py6 h LEU 146 N 0.85 0.23 -0.19 3.39 3.38 -0.93 0.33 115.31 122.37 1py6 h LEU 146 Ca 0.16 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1py6 h LEU 146 Cb 0.49 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1py6 h LEU 146 CO 0.02 0.58 0.05 0.22 0.09 0.00 0.00 178.44 179.40 1py6 h TYR 147 N 0.20 0.31 -0.13 1.13 3.20 -0.88 0.11 116.97 120.91 1py6 h TYR 147 Ca 0.02 -0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.87 1py6 h TYR 147 Cb 0.73 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.90 1py6 h TYR 147 CO 0.01 0.41 0.06 0.82 -1.64 0.00 0.00 178.16 177.82 1py6 h ILE 148 N 0.12 0.99 -0.60 1.81 2.04 -1.06 -1.08 117.51 119.72 1py6 h ILE 148 Ca 0.06 -0.05 -0.05 0.00 1.00 0.00 0.00 64.86 65.83 1py6 h ILE 148 Cb 0.25 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 37.15 1py6 h ILE 148 CO -0.00 0.02 0.19 -0.07 0.00 0.00 0.00 178.15 178.29 1py6 h LEU 149 N 0.14 0.84 -0.14 1.44 3.38 -0.81 -0.65 115.31 119.51 1py6 h LEU 149 Ca 0.05 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 1py6 h LEU 149 Cb 0.01 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1py6 h LEU 149 CO -0.04 0.80 0.08 0.22 0.09 0.00 0.00 178.44 179.59 1py6 h TYR 150 N 0.88 0.18 -0.46 1.13 3.20 -0.45 -0.36 116.97 121.10 1py6 h TYR 150 Ca 0.20 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.07 1py6 h TYR 150 Cb 0.26 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.44 1py6 h TYR 150 CO 0.02 0.15 0.30 0.28 -1.64 0.00 0.00 178.16 177.27 1py6 h VAL 151 N 0.16 1.12 -0.77 1.81 2.07 -0.88 0.51 116.25 120.27 1py6 h VAL 151 Ca 0.05 -0.22 -0.03 0.00 0.82 0.00 0.00 66.70 67.31 1py6 h VAL 151 Cb 0.02 0.45 -0.04 0.00 -1.52 0.00 0.00 31.29 30.21 1py6 h VAL 151 CO -0.01 0.12 0.36 -0.07 0.02 0.00 0.00 177.57 177.98 1py6 h LEU 152 N 0.62 1.00 0.12 2.57 4.07 -0.92 0.44 115.31 123.22 1py6 h LEU 152 Ca 0.17 -0.12 -0.19 0.00 0.08 0.00 0.00 57.88 57.82 1py6 h LEU 152 Cb -0.07 -0.26 0.01 0.00 1.08 0.00 0.00 40.66 41.43 1py6 h LEU 152 CO -0.04 0.86 -0.87 0.15 -1.08 0.00 0.00 178.44 177.46 1py6 h PHE 153 N 1.09 0.48 0.04 1.13 3.04 -0.73 -3.06 116.94 118.92 1py6 h PHE 153 Ca 0.26 -0.35 -0.27 0.00 3.98 0.00 0.00 57.97 61.59 1py6 h PHE 153 Cb 0.13 -0.02 -0.03 0.00 2.56 0.00 0.00 35.95 38.59 1py6 h PHE 153 CO 0.01 1.34 -1.48 1.19 -2.02 0.00 0.00 178.31 177.35 1py6 n PHE 154 N -4.13 1.09 0.02 0.41 3.72 0.18 -4.11 117.46 114.64 1py6 n PHE 154 Ca -0.16 0.39 -0.01 0.00 -0.05 0.00 0.00 57.45 57.62 1py6 n PHE 154 Cb 0.81 -1.12 -0.00 0.00 -0.94 0.00 0.00 39.48 38.23 1py6 n PHE 154 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 1py6 h GLY 155 N -0.41 -0.05 0.04 1.37 0.00 -0.28 -3.29 103.07 100.45 1py6 h GLY 155 Ca -0.37 0.02 0.06 0.00 0.00 0.00 0.00 47.33 47.04 1py6 h GLY 155 CO -0.13 -0.02 -0.30 0.74 0.00 0.00 0.00 176.54 176.84 1py6 h PHE 156 N -0.09 -0.81 -1.01 5.60 -1.00 -1.24 -1.60 116.94 116.78 1py6 h PHE 156 Ca -0.01 0.04 0.23 0.00 2.81 0.00 0.00 57.97 61.05 1py6 h PHE 156 Cb 0.04 0.40 -0.11 0.00 3.61 0.00 0.00 35.95 39.89 1py6 h PHE 156 CO 0.11 -0.37 0.62 1.15 -1.61 0.00 0.00 178.31 178.20 1py6 h THR 157 N -0.30 0.60 -0.47 -1.55 2.02 -1.68 0.23 112.91 111.74 1py6 h THR 157 Ca 0.13 -0.21 -0.03 0.00 0.77 0.00 0.00 66.41 67.08 1py6 h THR 157 Cb 0.52 -0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 66.85 1py6 h THR 157 CO -0.43 0.11 0.17 -1.28 0.37 0.00 0.00 175.52 174.46 1py6 h SER 158 N 0.60 0.67 1.44 4.18 0.87 -1.37 -2.85 113.55 117.10 1py6 h SER 158 Ca 0.61 -0.19 -0.03 0.00 -1.23 0.00 0.00 61.79 60.95 1py6 h SER 158 Cb 1.17 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 62.95 1py6 h SER 158 CO -0.40 0.68 -0.13 0.50 -0.53 0.00 0.00 176.83 176.95 1py6 h LYS 159 N 0.63 0.00 0.00 2.24 3.64 -0.36 -2.49 116.57 120.23 1py6 h LYS 159 Ca 0.16 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 1py6 h LYS 159 Cb 0.23 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 1py6 h LYS 159 CO -0.01 0.13 0.00 0.00 -2.27 0.00 0.00 179.45 177.30 1py6 n ALA 160 N -2.15 1.98 1.33 5.00 0.00 0.49 -1.82 120.51 125.34 1py6 n ALA 160 Ca 0.02 -0.08 0.14 0.00 0.00 0.00 0.00 53.44 53.52 1py6 n ALA 160 Cb 0.49 -1.31 0.61 0.00 0.00 0.00 0.00 19.45 19.24 1py6 n ALA 160 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1py6 n GLU 161 N -1.32 0.51 0.00 0.00 -0.58 -0.94 -2.56 120.64 115.75 1py6 n GLU 161 Ca 0.08 -0.15 0.12 0.00 -0.42 0.00 0.00 57.16 56.79 1py6 n GLU 161 Cb 0.16 -1.50 0.12 0.00 -0.57 0.00 0.00 31.44 29.65 1py6 n GLU 161 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1py6 n SER 162 N -1.11 2.16 -4.93 1.62 3.41 -0.76 -4.93 113.62 109.08 1py6 n SER 162 Ca 0.13 -1.58 -0.20 0.00 -0.26 0.00 0.00 58.87 56.95 1py6 n SER 162 Cb 0.28 0.26 0.05 0.00 -0.26 0.00 0.00 64.21 64.54 1py6 n SER 162 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1py6 s MET 163 N -2.30 2.40 0.48 4.33 -1.94 -1.06 -5.08 119.30 116.12 1py6 s MET 163 Ca 0.24 -1.08 -0.21 0.00 -1.71 0.00 0.00 55.69 52.92 1py6 s MET 163 Cb 0.19 -2.54 -0.08 0.00 2.01 0.00 0.00 34.83 34.40 1py6 s MET 163 CO 0.47 -0.78 1.04 1.03 -0.01 0.00 0.00 175.02 176.77 1py6 s ARG 164 N -4.73 3.82 0.35 2.03 1.81 -1.26 -4.72 118.95 116.25 1py6 s ARG 164 Ca 0.59 1.39 0.14 0.00 -1.72 0.00 0.00 55.73 56.13 1py6 s ARG 164 Cb -0.09 -2.14 1.02 0.00 -0.45 0.00 0.00 34.95 33.29 1py6 s ARG 164 CO 0.38 -0.42 1.72 -1.00 -0.68 0.00 0.00 175.30 175.30 1py6 h PRO 165 N 1.65 0.44 -0.86 3.54 0.13 -1.97 0.50 132.00 135.44 1py6 h PRO 165 Ca -0.49 -0.03 0.03 0.00 -0.87 0.00 0.00 66.00 64.64 1py6 h PRO 165 Cb 1.22 -0.10 -0.05 0.00 0.13 0.00 0.00 31.00 32.20 1py6 h PRO 165 CO 0.59 0.29 0.55 1.49 -0.23 0.00 0.00 178.00 180.69 1py6 h GLU 166 N 0.45 1.05 0.02 0.86 4.57 -1.98 0.82 114.58 120.37 1py6 h GLU 166 Ca 0.67 -0.06 -0.27 0.00 -1.18 0.00 0.00 59.36 58.52 1py6 h GLU 166 Cb 1.48 -0.24 0.02 0.00 -0.16 0.00 0.00 28.75 29.85 1py6 h GLU 166 CO -0.47 0.69 -1.07 0.28 -1.18 0.00 0.00 179.01 177.27 1py6 h VAL 167 N 1.08 1.31 -0.52 0.32 2.07 -0.54 -2.26 116.25 117.71 1py6 h VAL 167 Ca 0.34 -2.34 -0.12 0.00 0.82 0.00 0.00 66.70 65.40 1py6 h VAL 167 Cb -0.01 2.45 -0.02 0.00 -1.52 0.00 0.00 31.29 32.20 1py6 h VAL 167 CO -0.11 0.72 -0.14 0.00 0.02 0.00 0.00 177.57 178.06 1py6 h ALA 168 N 0.45 0.78 -0.21 1.67 0.00 -0.08 -1.68 119.26 120.18 1py6 h ALA 168 Ca -0.13 -0.36 -0.13 0.00 0.00 0.00 0.00 54.91 54.29 1py6 h ALA 168 Cb 1.72 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.31 1py6 h ALA 168 CO 0.20 0.67 -0.42 0.66 0.00 0.00 0.00 179.25 180.36 1py6 h SER 169 N 0.87 0.54 -0.37 0.00 4.64 0.61 -1.52 113.55 118.32 1py6 h SER 169 Ca 0.13 -0.24 -0.12 0.00 -0.47 0.00 0.00 61.79 61.09 1py6 h SER 169 Cb 0.70 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.63 1py6 h SER 169 CO 0.05 0.89 -0.24 0.74 -0.87 0.00 0.00 176.83 177.40 1py6 h THR 170 N 0.42 1.28 -0.52 2.95 2.02 -1.28 -2.98 112.91 114.80 1py6 h THR 170 Ca 0.03 -1.39 -0.02 0.00 0.77 0.00 0.00 66.41 65.80 1py6 h THR 170 Cb 0.90 1.37 -0.02 0.00 -1.74 0.00 0.00 68.15 68.66 1py6 h THR 170 CO 0.08 0.46 0.23 0.15 0.37 0.00 0.00 175.52 176.81 1py6 h PHE 171 N 0.61 0.77 -0.42 3.16 3.57 -1.19 -2.15 116.94 121.29 1py6 h PHE 171 Ca 0.07 -0.05 0.07 0.00 3.53 0.00 0.00 57.97 61.60 1py6 h PHE 171 Cb 0.80 -0.24 -0.07 0.00 2.79 0.00 0.00 35.95 39.24 1py6 h PHE 171 CO 0.06 0.62 0.02 1.57 -2.23 0.00 0.00 178.31 178.35 1py6 h LYS 172 N 0.70 0.13 -0.11 1.11 2.10 -1.22 0.80 116.57 120.07 1py6 h LYS 172 Ca 0.18 -0.01 -0.00 0.00 -2.00 0.00 0.00 60.65 58.82 1py6 h LYS 172 Cb 0.15 -0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 31.45 1py6 h LYS 172 CO -0.02 0.08 0.07 0.28 -2.00 0.00 0.00 179.45 177.86 1py6 h VAL 173 N 0.13 1.06 -0.64 0.07 2.07 -1.39 0.29 116.25 117.83 1py6 h VAL 173 Ca 0.21 -0.14 -0.08 0.00 0.82 0.00 0.00 66.70 67.50 1py6 h VAL 173 Cb 0.29 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 1py6 h VAL 173 CO -0.33 0.05 0.07 -0.07 0.02 0.00 0.00 177.57 177.32 1py6 h LEU 174 N 0.12 1.05 -0.30 2.57 3.38 -0.87 0.77 115.31 122.02 1py6 h LEU 174 Ca 0.04 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 1py6 h LEU 174 Cb 0.02 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 1py6 h LEU 174 CO -0.01 1.06 0.15 -0.09 0.09 0.00 0.00 178.44 179.65 1py6 h ARG 175 N 1.00 0.44 -0.05 1.13 2.43 0.86 -1.36 114.38 118.83 1py6 h ARG 175 Ca 0.19 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1py6 h ARG 175 Cb 0.48 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.95 1py6 h ARG 175 CO 0.02 0.40 0.03 -0.91 -1.51 0.00 0.00 179.97 178.00 1py6 h ASN 176 N 0.36 0.06 -0.87 -3.80 -0.26 -0.12 0.28 115.58 111.23 1py6 h ASN 176 Ca 0.11 -0.10 0.07 0.00 -0.56 0.00 0.00 56.30 55.82 1py6 h ASN 176 Cb 0.11 -0.02 -0.07 0.00 -1.06 0.00 0.00 38.32 37.29 1py6 h ASN 176 CO -0.01 0.14 0.54 0.58 -1.06 0.00 0.00 177.43 177.61 1py6 h VAL 177 N -0.02 1.01 -0.06 2.81 2.07 -0.77 -1.76 116.25 119.54 1py6 h VAL 177 Ca 0.02 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 67.21 1py6 h VAL 177 Cb 0.09 -0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 29.83 1py6 h VAL 177 CO -0.00 0.17 0.02 0.74 0.02 0.00 0.00 177.57 178.52 1py6 h THR 178 N 0.95 1.16 -0.38 2.57 2.02 -0.88 -0.63 112.91 117.72 1py6 h THR 178 Ca 0.39 -0.47 0.03 0.00 0.77 0.00 0.00 66.41 67.13 1py6 h THR 178 Cb 0.24 1.37 -0.03 0.00 -1.74 0.00 0.00 68.15 67.99 1py6 h THR 178 CO -0.20 0.13 0.20 0.58 0.37 0.00 0.00 175.52 176.60 1py6 h VAL 179 N -0.09 0.99 -0.14 3.16 2.07 -0.60 0.96 116.25 122.60 1py6 h VAL 179 Ca 0.02 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 67.38 1py6 h VAL 179 Cb 0.19 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 1py6 h VAL 179 CO -0.00 0.07 0.02 0.58 0.02 0.00 0.00 177.57 178.27 1py6 h VAL 180 N 0.40 1.22 -0.06 2.57 2.07 -1.28 -2.06 116.25 119.12 1py6 h VAL 180 Ca 0.16 -0.70 -0.01 0.00 0.82 0.00 0.00 66.70 66.96 1py6 h VAL 180 Cb 0.06 1.41 -0.00 0.00 -1.52 0.00 0.00 31.29 31.24 1py6 h VAL 180 CO -0.10 0.21 -0.02 -0.07 0.02 0.00 0.00 177.57 177.60 1py6 h LEU 181 N 0.02 0.12 -0.92 2.57 3.38 -0.98 -3.18 115.31 116.32 1py6 h LEU 181 Ca 0.04 -0.39 -0.00 0.00 0.09 0.00 0.00 57.88 57.62 1py6 h LEU 181 Cb 0.30 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 1py6 h LEU 181 CO 0.00 0.48 0.57 -0.50 0.09 0.00 0.00 178.44 179.08 1py6 h TRP 182 N -0.25 1.20 -0.38 1.13 4.06 -0.88 -1.69 115.95 119.14 1py6 h TRP 182 Ca 0.01 0.00 0.11 0.00 2.06 0.00 0.00 58.89 61.08 1py6 h TRP 182 Cb 0.44 -0.40 -0.02 0.00 -1.00 0.00 0.00 29.16 28.18 1py6 h TRP 182 CO 0.06 0.79 0.27 0.77 -3.56 0.00 0.00 178.44 176.78 1py6 h SER 183 N 1.26 0.00 0.52 -3.49 0.02 -1.38 -2.34 113.55 108.13 1py6 h SER 183 Ca 0.33 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 61.13 1py6 h SER 183 Cb -0.07 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.45 1py6 h SER 183 CO -0.06 0.00 -0.65 0.00 -1.14 0.00 0.00 176.83 174.97 1py6 h ALA 184 N 1.81 0.85 -0.53 3.77 0.00 -1.28 -3.35 119.26 120.52 1py6 h ALA 184 Ca 0.18 -0.58 0.06 0.00 0.00 0.00 0.00 54.91 54.57 1py6 h ALA 184 Cb 0.73 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.37 1py6 h ALA 184 CO -0.00 0.79 0.24 1.88 0.00 0.00 0.00 179.25 182.15 1py6 h TYR 185 N 0.09 0.43 -0.21 0.00 -1.99 -1.43 -1.72 116.97 112.15 1py6 h TYR 185 Ca -0.01 0.02 -0.04 0.00 2.00 0.00 0.00 58.73 60.71 1py6 h TYR 185 Cb 1.17 -0.12 -0.01 0.00 2.00 0.00 0.00 36.73 39.77 1py6 h TYR 185 CO 0.01 0.18 -0.04 -1.00 -0.00 0.00 0.00 178.16 177.32 1py6 h PRO 186 N 0.46 0.31 -0.23 4.88 0.13 -1.74 -1.53 132.00 134.28 1py6 h PRO 186 Ca 0.25 -0.06 -0.12 0.00 -0.87 0.00 0.00 66.00 65.20 1py6 h PRO 186 Cb 0.21 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 31.29 1py6 h PRO 186 CO -0.20 0.37 -0.31 0.28 -0.23 0.00 0.00 178.00 177.91 1py6 h VAL 187 N 0.30 1.32 -0.76 1.56 2.07 -1.64 -0.97 116.25 118.12 1py6 h VAL 187 Ca 0.07 -1.50 -0.00 0.00 0.82 0.00 0.00 66.70 66.08 1py6 h VAL 187 Cb 0.27 1.74 -0.04 0.00 -1.52 0.00 0.00 31.29 31.74 1py6 h VAL 187 CO 0.01 0.47 0.46 0.58 0.02 0.00 0.00 177.57 179.12 1py6 h VAL 188 N 0.32 1.21 -0.31 2.57 2.07 -0.96 -2.01 116.25 119.15 1py6 h VAL 188 Ca 0.03 -0.46 -0.01 0.00 0.82 0.00 0.00 66.70 67.07 1py6 h VAL 188 Cb 0.89 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 1py6 h VAL 188 CO 0.07 0.22 0.14 -0.25 0.02 0.00 0.00 177.57 177.77 1py6 h TRP 189 N 1.04 0.45 -0.72 1.57 7.01 -1.22 -0.10 115.95 123.99 1py6 h TRP 189 Ca 0.27 -0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.25 1py6 h TRP 189 Cb -0.05 -0.14 -0.04 0.00 -2.10 0.00 0.00 29.16 26.84 1py6 h TRP 189 CO -0.01 0.42 0.45 1.25 -2.79 0.00 0.00 178.44 177.76 1py6 h LEU 190 N 0.36 0.85 -1.00 0.65 5.85 -0.79 -2.14 115.31 119.09 1py6 h LEU 190 Ca 0.10 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1py6 h LEU 190 Cb 0.15 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 40.96 1py6 h LEU 190 CO -0.01 0.64 -0.31 2.30 -0.34 0.00 0.00 178.44 180.72 1py6 n ILE 191 N -4.55 0.00 -1.28 4.05 -5.35 -0.79 0.19 119.36 111.63 1py6 n ILE 191 Ca 0.06 -0.26 0.00 0.00 -0.27 0.00 0.00 62.75 62.29 1py6 n ILE 191 Cb 0.04 1.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.94 1py6 n ILE 191 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1py6 n GLY 192 N 1.37 1.50 0.28 3.28 0.00 -0.05 -0.11 105.19 111.45 1py6 n GLY 192 Ca 0.12 -1.90 0.06 0.00 0.00 0.00 0.00 46.02 44.30 1py6 n GLY 192 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1py6 h SER 193 N 0.00 0.18 1.74 1.61 0.02 -1.81 0.45 113.55 115.75 1py6 h SER 193 Ca 0.00 -0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 60.89 1py6 h SER 193 Cb 0.00 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 1py6 h SER 193 CO 0.00 0.15 -0.25 -0.33 -1.14 0.00 0.00 176.83 175.25 1py6 h GLU 194 N 0.21 0.00 0.00 3.45 3.07 -1.89 -3.43 114.58 115.99 1py6 h GLU 194 Ca 0.06 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.92 1py6 h GLU 194 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1py6 h GLU 194 CO -0.01 0.25 0.00 0.41 -1.40 0.00 0.00 179.01 178.26 1py6 n GLY 195 N 1.16 1.28 0.21 -3.84 0.00 -0.82 -4.92 105.19 98.26 1py6 n GLY 195 Ca 0.03 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.19 1py6 n GLY 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1py6 h ALA 196 N 0.01 1.00 -3.51 4.61 0.00 -0.31 -3.46 119.26 117.60 1py6 h ALA 196 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.56 1py6 h ALA 196 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 17.79 17.83 1py6 h ALA 196 CO 0.00 0.00 -0.50 0.41 0.00 0.00 0.00 179.25 179.16 1py6 n GLY 197 N -1.15 -0.34 0.08 0.00 0.00 0.16 -4.92 105.19 99.02 1py6 n GLY 197 Ca -0.02 -0.05 -0.16 0.00 0.00 0.00 0.00 46.02 45.80 1py6 n GLY 197 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1py6 h ILE 198 N -0.89 1.13 -3.33 -0.61 2.04 -1.21 -3.45 117.51 111.19 1py6 h ILE 198 Ca -0.44 -2.08 -0.58 0.00 1.00 0.00 0.00 64.86 62.76 1py6 h ILE 198 Cb 1.31 2.36 -0.07 0.00 -0.74 0.00 0.00 36.82 39.68 1py6 h ILE 198 CO 0.48 0.38 0.32 -0.69 0.00 0.00 0.00 178.15 178.65 1py6 s VAL 199 N -2.24 4.92 0.78 1.67 1.01 0.85 -5.01 120.40 122.37 1py6 s VAL 199 Ca -0.22 1.53 -0.14 0.00 0.00 0.00 0.00 61.98 63.15 1py6 s VAL 199 Cb 0.02 -4.09 0.07 0.00 0.00 0.00 0.00 36.38 32.37 1py6 s VAL 199 CO 0.56 0.05 1.20 -2.16 0.00 0.00 0.00 175.10 174.76 1py6 s PRO 200 N 2.06 1.84 0.23 2.72 0.04 -1.26 -3.88 135.00 136.76 1py6 s PRO 200 Ca 0.36 1.74 -0.06 0.00 0.04 0.00 0.00 61.00 63.08 1py6 s PRO 200 Cb -0.16 -1.80 0.37 0.00 0.04 0.00 0.00 34.50 32.95 1py6 s PRO 200 CO 0.12 -2.06 1.77 1.25 0.04 0.00 0.00 177.00 178.12 1py6 h LEU 201 N -0.68 0.44 -0.32 -3.56 5.85 -1.97 0.27 115.31 115.34 1py6 h LEU 201 Ca -0.47 0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.35 1py6 h LEU 201 Cb 1.29 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.30 1py6 h LEU 201 CO 0.48 0.23 0.16 -0.55 -0.34 0.00 0.00 178.44 178.42 1py6 h ASN 202 N 0.58 0.23 -0.43 1.25 -1.07 -1.91 0.52 115.58 114.74 1py6 h ASN 202 Ca 0.37 0.02 -0.11 0.00 0.07 0.00 0.00 56.30 56.65 1py6 h ASN 202 Cb 0.44 -0.03 -0.01 0.00 -2.07 0.00 0.00 38.32 36.65 1py6 h ASN 202 CO -0.30 0.17 -0.16 0.40 0.07 0.00 0.00 177.43 177.62 1py6 h ILE 203 N 0.33 1.28 -0.90 6.14 2.04 -1.80 -2.51 117.51 122.08 1py6 h ILE 203 Ca 0.13 -1.29 0.02 0.00 1.00 0.00 0.00 64.86 64.73 1py6 h ILE 203 Cb 0.05 1.20 -0.05 0.00 -0.74 0.00 0.00 36.82 37.29 1py6 h ILE 203 CO -0.10 0.44 0.59 -0.08 0.00 0.00 0.00 178.15 179.00 1py6 h GLU 204 N 0.69 1.13 -0.45 2.37 4.81 0.05 -1.40 114.58 121.78 1py6 h GLU 204 Ca 0.10 -0.07 -0.10 0.00 -0.13 0.00 0.00 59.36 59.17 1py6 h GLU 204 Cb 0.71 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 29.82 1py6 h GLU 204 CO 0.05 0.75 -0.11 1.15 -0.73 0.00 0.00 179.01 180.12 1py6 h THR 205 N 1.16 1.26 -0.44 0.32 2.02 0.19 -1.52 112.91 115.90 1py6 h THR 205 Ca 0.34 -1.18 -0.00 0.00 0.77 0.00 0.00 66.41 66.34 1py6 h THR 205 Cb -0.05 1.03 -0.02 0.00 -1.74 0.00 0.00 68.15 67.37 1py6 h THR 205 CO -0.09 0.41 0.26 0.25 0.37 0.00 0.00 175.52 176.72 1py6 h LEU 206 N 0.73 0.53 -0.27 2.58 5.85 -0.92 -0.65 115.31 123.16 1py6 h LEU 206 Ca 0.12 -0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.75 1py6 h LEU 206 Cb 0.60 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 1py6 h LEU 206 CO 0.04 0.44 0.03 -0.07 -0.34 0.00 0.00 178.44 178.54 1py6 h LEU 207 N 0.59 0.44 -0.94 2.25 3.38 -1.09 -2.17 115.31 117.77 1py6 h LEU 207 Ca 0.16 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 1py6 h LEU 207 Cb 0.00 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 1py6 h LEU 207 CO -0.03 0.61 0.28 -0.26 0.09 0.00 0.00 178.44 179.12 1py6 h PHE 208 N 0.27 1.06 -0.33 1.13 0.04 -1.12 -1.76 116.94 116.23 1py6 h PHE 208 Ca 0.08 -0.07 -0.09 0.00 2.80 0.00 0.00 57.97 60.69 1py6 h PHE 208 Cb 0.36 -0.32 -0.02 0.00 2.20 0.00 0.00 35.95 38.17 1py6 h PHE 208 CO 0.03 0.81 -0.18 0.00 -0.60 0.00 0.00 178.31 178.36 1py6 h MET 209 N 1.02 0.61 -0.47 1.51 -0.00 -1.00 0.21 114.93 116.80 1py6 h MET 209 Ca 0.24 -0.21 -0.11 0.00 -0.00 0.00 0.00 59.70 59.61 1py6 h MET 209 Cb 0.20 -0.05 -0.01 0.00 -0.00 0.00 0.00 31.60 31.74 1py6 h MET 209 CO -0.02 0.76 -0.13 0.28 -0.00 0.00 0.00 176.91 177.81 1py6 h VAL 210 N 0.55 1.27 -0.17 -0.10 2.07 -1.08 -0.33 116.25 118.47 1py6 h VAL 210 Ca 0.09 -1.26 -0.08 0.00 0.82 0.00 0.00 66.70 66.26 1py6 h VAL 210 Cb 0.62 1.10 -0.00 0.00 -1.52 0.00 0.00 31.29 31.49 1py6 h VAL 210 CO 0.04 0.44 -0.21 -0.07 0.02 0.00 0.00 177.57 177.78 1py6 h LEU 211 N 0.77 0.47 -0.18 2.57 3.38 -1.12 -1.96 115.31 119.26 1py6 h LEU 211 Ca 0.12 -0.51 -0.01 0.00 0.09 0.00 0.00 57.88 57.57 1py6 h LEU 211 Cb 0.68 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 1py6 h LEU 211 CO 0.05 0.89 0.08 0.44 0.09 0.00 0.00 178.44 179.99 1py6 h ASP 212 N 0.07 0.23 -0.46 -0.43 3.32 -0.55 0.15 116.42 118.76 1py6 h ASP 212 Ca 0.02 -0.12 -0.02 0.00 0.02 0.00 0.00 57.03 56.92 1py6 h ASP 212 Cb 0.77 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.24 1py6 h ASP 212 CO 0.05 0.29 0.19 0.58 -1.72 0.00 0.00 179.24 178.63 1py6 h VAL 213 N 0.16 1.20 -0.54 -1.35 2.07 -1.13 -1.63 116.25 115.02 1py6 h VAL 213 Ca 0.06 -0.61 -0.04 0.00 0.82 0.00 0.00 66.70 66.93 1py6 h VAL 213 Cb 0.12 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 1py6 h VAL 213 CO -0.01 0.23 0.18 0.28 0.02 0.00 0.00 177.57 178.27 1py6 h SER 214 N 0.59 0.77 1.13 0.57 0.02 -1.23 0.31 113.55 115.71 1py6 h SER 214 Ca 0.15 -0.20 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 1py6 h SER 214 Cb 0.18 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.51 1py6 h SER 214 CO -0.01 0.77 0.00 0.00 -1.14 0.00 0.00 176.83 176.44 1py6 h ALA 215 N 1.04 1.00 0.00 3.77 0.00 -0.53 -1.75 119.26 122.79 1py6 h ALA 215 Ca 0.17 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1py6 h ALA 215 Cb 0.26 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1py6 h ALA 215 CO -0.01 0.00 -0.50 1.63 0.00 0.00 0.00 179.25 180.37 1py6 n LYS 216 N -2.71 0.21 0.08 0.00 5.02 -0.63 -4.24 118.16 115.88 1py6 n LYS 216 Ca 0.02 0.08 -0.19 0.00 -2.02 0.00 0.00 58.31 56.21 1py6 n LYS 216 Cb 0.33 -0.86 -0.10 0.00 -0.02 0.00 0.00 35.03 34.37 1py6 n LYS 216 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1py6 h VAL 217 N -0.39 1.35 0.13 -0.18 2.07 -1.17 0.31 116.25 118.37 1py6 h VAL 217 Ca -0.02 -2.52 -0.01 0.00 0.82 0.00 0.00 66.70 64.97 1py6 h VAL 217 Cb 0.47 2.61 0.00 0.00 -1.52 0.00 0.00 31.29 32.85 1py6 h VAL 217 CO -0.02 0.76 -0.06 1.23 0.02 0.00 0.00 177.57 179.50 1py6 h GLY 218 N 0.76 -0.19 0.79 2.17 0.00 -0.89 -0.50 103.07 105.22 1py6 h GLY 218 Ca -0.14 0.07 0.03 0.00 0.00 0.00 0.00 47.33 47.28 1py6 h GLY 218 CO 0.21 -0.07 0.12 -2.75 0.00 0.00 0.00 176.54 174.06 1py6 h PHE 219 N -0.28 0.23 -0.55 5.60 3.04 -1.38 -2.74 116.94 120.84 1py6 h PHE 219 Ca -0.02 0.01 -0.01 0.00 3.98 0.00 0.00 57.97 61.93 1py6 h PHE 219 Cb 0.23 -0.06 -0.03 0.00 2.56 0.00 0.00 35.95 38.65 1py6 h PHE 219 CO -0.04 0.11 0.30 0.78 -2.02 0.00 0.00 178.31 177.44 1py6 h GLY 220 N 0.27 0.83 0.73 2.40 0.00 -0.80 -1.37 103.07 105.13 1py6 h GLY 220 Ca 0.13 -0.38 0.05 0.00 0.00 0.00 0.00 47.33 47.14 1py6 h GLY 220 CO -0.12 0.36 0.41 1.41 0.00 0.00 0.00 176.54 178.60 1py6 h LEU 221 N 0.74 0.63 0.03 3.11 3.38 -0.94 0.24 115.31 122.49 1py6 h LEU 221 Ca 0.19 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.18 1py6 h LEU 221 Cb 0.05 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1py6 h LEU 221 CO -0.03 0.41 -0.01 0.40 0.09 0.00 0.00 178.44 179.30 1py6 h ILE 222 N 0.76 1.17 -0.27 1.22 2.04 -1.33 -2.84 117.51 118.25 1py6 h ILE 222 Ca 0.31 -0.61 -0.05 0.00 1.00 0.00 0.00 64.86 65.51 1py6 h ILE 222 Cb 0.15 1.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.79 1py6 h ILE 222 CO -0.16 0.15 -0.04 0.25 0.00 0.00 0.00 178.15 178.35 1py6 h LEU 223 N -0.30 0.50 -0.68 1.44 5.85 -0.93 -3.23 115.31 117.96 1py6 h LEU 223 Ca -0.00 -0.34 0.00 0.00 0.84 0.00 0.00 57.88 58.37 1py6 h LEU 223 Cb 0.28 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.18 1py6 h LEU 223 CO 0.01 0.73 0.00 -0.07 -0.34 0.00 0.00 178.44 178.76 1py6 h LEU 224 N 0.26 0.00 -1.19 2.25 3.38 -0.63 -2.88 115.31 116.51 1py6 h LEU 224 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1py6 h LEU 224 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1py6 h LEU 224 CO 0.02 0.00 -0.07 -2.11 0.09 0.00 0.00 178.44 176.37 1py6 n ARG 225 N -2.73 1.72 -3.43 1.13 1.85 -1.07 -4.92 116.66 109.21 1py6 n ARG 225 Ca 0.03 -1.19 -0.29 0.00 -1.00 0.00 0.00 57.85 55.39 1py6 n ARG 225 Cb 0.36 -1.48 -0.03 0.00 -1.05 0.00 0.00 32.46 30.26 1py6 n ARG 225 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 1py6 s SER 226 N -2.10 6.45 0.00 2.89 1.04 -1.09 -4.98 113.70 115.91 1py6 s SER 226 Ca 0.32 0.67 0.29 0.00 0.48 0.00 0.00 55.95 57.71 1py6 s SER 226 Cb 0.20 -2.12 1.36 0.00 0.10 0.00 0.00 66.02 65.56 1py6 s SER 226 CO 0.37 -0.14 1.93 -2.11 0.98 0.00 0.00 173.24 174.27 1py6 n ARG 227 N -0.74 0.99 0.16 4.02 0.00 -1.26 -3.82 116.66 116.00 1py6 n ARG 227 Ca -0.02 -0.34 0.13 0.00 -0.00 0.00 0.00 57.85 57.62 1py6 n ARG 227 Cb 0.54 -1.49 0.55 0.00 -0.00 0.00 0.00 32.46 32.05 1py6 n ARG 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1py6 h ALA 228 N 3.88 1.00 -0.00 2.89 0.00 -1.88 -2.84 119.26 122.30 1py6 h ALA 228 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1py6 h ALA 228 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1py6 h ALA 228 CO 0.00 0.00 -0.07 0.44 0.00 0.00 0.00 179.25 179.62 1py6 n ILE 229 N -2.39 0.00 -3.04 0.00 -5.35 -1.25 -4.87 119.36 102.46 1py6 n ILE 229 Ca 0.01 -0.04 -0.39 0.00 -0.27 0.00 0.00 62.75 62.06 1py6 n ILE 229 Cb 0.22 -0.24 -0.06 0.00 -1.74 0.00 0.00 39.64 37.82 1py6 n ILE 229 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1py6 s PHE 230 N -2.50 3.84 -1.56 4.28 0.40 -1.07 -1.96 117.98 119.41 1py6 s PHE 230 Ca 0.29 1.52 0.00 0.00 -0.60 0.00 0.00 56.93 58.14 1py6 s PHE 230 Cb 0.20 -2.73 0.00 0.00 0.51 0.00 0.00 43.02 41.00 1py6 s PHE 230 CO 0.47 0.46 0.39 0.41 0.70 0.00 0.00 175.22 177.65