#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 -0.41 3.76 3.41 0.00 -1.26 -4.97 105.19 105.71 1py6 n GLY 6 Ca 0.00 0.15 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 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 -5.80 3.35 0.62 1.61 0.52 -1.26 -4.89 118.95 113.10 1py6 s ARG 7 Ca 0.21 2.10 0.30 0.00 -0.52 0.00 0.00 55.73 57.82 1py6 s ARG 7 Cb -0.10 -2.32 1.62 0.00 0.52 0.00 0.00 34.95 34.68 1py6 s ARG 7 CO 0.75 -0.98 1.98 -1.35 0.02 0.00 0.00 175.30 175.72 1py6 h PRO 8 N 1.68 0.00 -0.01 3.54 0.11 -2.00 -1.67 132.00 133.65 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 0.58 0.00 -0.19 -0.85 -0.21 0.00 0.00 178.00 177.33 1py6 n GLU 9 N -3.44 0.85 -0.18 1.05 0.00 -1.26 -4.31 120.64 113.35 1py6 n GLU 9 Ca 0.03 -0.45 0.05 0.00 0.00 0.00 0.00 57.16 56.79 1py6 n GLU 9 Cb 0.45 -1.49 0.33 0.00 0.00 0.00 0.00 31.44 30.73 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 1.09 0.79 -0.43 -1.84 5.08 -1.66 -2.13 115.95 116.85 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 0.46 -0.26 -0.02 0.00 -3.00 0.00 0.00 29.16 26.33 1py6 h TRP 10 CO 0.00 0.44 0.19 0.97 -1.28 0.00 0.00 178.44 178.76 1py6 h ILE 11 N 0.80 1.16 0.00 0.12 6.09 -1.82 0.25 117.51 124.12 1py6 h ILE 11 Ca 0.30 -0.47 -0.16 0.00 -1.37 0.00 0.00 64.86 63.17 1py6 h ILE 11 Cb 0.17 0.63 -0.02 0.00 0.47 0.00 0.00 36.82 38.06 1py6 h ILE 11 CO -0.09 0.19 -0.74 -0.50 -3.07 0.00 0.00 178.15 173.93 1py6 h TRP 12 N 0.61 0.00 -0.23 2.19 -0.00 -1.70 -1.49 115.95 115.33 1py6 h TRP 12 Ca 0.15 0.00 -0.16 0.00 -0.00 0.00 0.00 58.89 58.88 1py6 h TRP 12 Cb 0.10 0.00 -0.01 0.00 -0.00 0.00 0.00 29.16 29.25 1py6 h TRP 12 CO 0.01 0.74 -0.52 -0.07 -0.00 0.00 0.00 178.44 178.60 1py6 h LEU 13 N 0.00 0.73 -0.42 -4.49 4.07 -0.83 -0.04 115.31 114.33 1py6 h LEU 13 Ca -0.01 -0.38 -0.16 0.00 0.08 0.00 0.00 57.88 57.42 1py6 h LEU 13 Cb 1.32 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 42.84 1py6 h LEU 13 CO 0.10 1.11 -0.36 0.00 -1.08 0.00 0.00 178.44 178.21 1py6 h ALA 14 N 0.91 0.61 -0.32 1.53 0.00 -0.36 -1.53 119.26 120.08 1py6 h ALA 14 Ca 0.02 -0.45 -0.14 0.00 0.00 0.00 0.00 54.91 54.34 1py6 h ALA 14 Cb 1.07 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1py6 h ALA 14 CO 0.10 0.68 -0.36 1.25 0.00 0.00 0.00 179.25 180.92 1py6 h LEU 15 N 0.77 0.78 -0.46 0.00 6.46 -1.17 -0.84 115.31 120.85 1py6 h LEU 15 Ca 0.07 -0.34 -0.07 0.00 -0.12 0.00 0.00 57.88 57.42 1py6 h LEU 15 Cb 0.95 -0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 40.65 1py6 h LEU 15 CO 0.09 1.06 0.01 1.23 -0.62 0.00 0.00 178.44 180.21 1py6 h GLY 16 N 0.94 0.87 0.95 3.75 0.00 -0.90 -1.21 103.07 107.48 1py6 h GLY 16 Ca 0.06 -0.64 -0.00 0.00 0.00 0.00 0.00 47.33 46.75 1py6 h GLY 16 CO 0.08 0.59 0.05 -0.84 0.00 0.00 0.00 176.54 176.41 1py6 h THR 17 N 0.66 1.07 -0.12 4.70 2.02 -1.17 -1.22 112.91 118.84 1py6 h THR 17 Ca 0.13 -0.18 0.03 0.00 0.77 0.00 0.00 66.41 67.16 1py6 h THR 17 Cb 0.49 1.04 -0.03 0.00 -1.74 0.00 0.00 68.15 67.91 1py6 h THR 17 CO 0.02 0.06 -0.04 0.00 0.37 0.00 0.00 175.52 175.93 1py6 h ALA 18 N 0.97 0.07 -0.36 6.16 0.00 -1.03 -1.11 119.26 123.97 1py6 h ALA 18 Ca 0.03 0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 1py6 h ALA 18 Cb 0.05 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1py6 h ALA 18 CO -0.01 -0.49 -0.21 -0.07 0.00 0.00 0.00 179.25 178.48 1py6 h LEU 19 N -0.01 0.70 -0.40 0.00 3.38 -1.15 -2.15 115.31 115.68 1py6 h LEU 19 Ca 0.06 -0.24 -0.13 0.00 0.09 0.00 0.00 57.88 57.66 1py6 h LEU 19 Cb 0.11 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1py6 h LEU 19 CO -0.14 0.90 -0.27 0.24 0.09 0.00 0.00 178.44 179.26 1py6 h MET 20 N 0.61 0.89 0.16 1.13 2.86 -1.08 -1.83 114.93 117.67 1py6 h MET 20 Ca 0.09 -0.42 -0.01 0.00 -2.06 0.00 0.00 59.70 57.30 1py6 h MET 20 Cb 0.68 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.34 1py6 h MET 20 CO 0.05 1.07 -0.07 0.78 1.06 0.00 0.00 176.91 179.80 1py6 h GLY 21 N 0.71 -0.22 0.73 8.32 0.00 -1.11 -0.68 103.07 110.82 1py6 h GLY 21 Ca 0.08 0.08 0.05 0.00 0.00 0.00 0.00 47.33 47.54 1py6 h GLY 21 CO 0.07 -0.08 0.43 1.41 0.00 0.00 0.00 176.54 178.38 1py6 h LEU 22 N -0.42 0.67 -0.86 3.11 3.38 -1.43 -1.05 115.31 118.72 1py6 h LEU 22 Ca -0.02 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 1py6 h LEU 22 Cb 0.33 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 1py6 h LEU 22 CO 0.04 0.44 0.21 1.23 0.09 0.00 0.00 178.44 180.45 1py6 h GLY 23 N 0.80 1.14 0.95 0.83 0.00 -1.26 -2.04 103.07 103.49 1py6 h GLY 23 Ca 0.32 -0.66 -0.02 0.00 0.00 0.00 0.00 47.33 46.97 1py6 h GLY 23 CO -0.16 0.62 -0.19 -0.84 0.00 0.00 0.00 176.54 175.96 1py6 h THR 24 N 1.02 0.61 -0.56 4.70 2.02 -0.25 -1.91 112.91 118.53 1py6 h THR 24 Ca 0.22 -0.11 0.04 0.00 0.77 0.00 0.00 66.41 67.34 1py6 h THR 24 Cb 0.29 0.66 -0.04 0.00 -1.74 0.00 0.00 68.15 67.32 1py6 h THR 24 CO -0.01 0.02 0.31 -0.07 0.37 0.00 0.00 175.52 176.14 1py6 h LEU 25 N -0.60 0.46 -0.73 2.58 3.38 -1.14 0.21 115.31 119.46 1py6 h LEU 25 Ca -0.06 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 1py6 h LEU 25 Cb 0.45 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 1py6 h LEU 25 CO 0.09 0.31 0.38 0.22 0.09 0.00 0.00 178.44 179.54 1py6 h TYR 26 N 0.59 1.02 -0.39 1.13 3.20 -1.36 0.16 116.97 121.32 1py6 h TYR 26 Ca 0.24 -0.04 -0.11 0.00 3.14 0.00 0.00 58.73 61.97 1py6 h TYR 26 Cb 0.11 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 38.05 1py6 h TYR 26 CO -0.08 0.73 -0.19 0.74 -1.64 0.00 0.00 178.16 177.72 1py6 h PHE 27 N 1.01 0.94 0.12 -3.82 0.04 -0.74 -1.53 116.94 112.95 1py6 h PHE 27 Ca 0.25 -0.23 0.00 0.00 2.80 0.00 0.00 57.97 60.79 1py6 h PHE 27 Cb 0.07 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 37.99 1py6 h PHE 27 CO 0.00 0.99 -0.10 1.25 -0.60 0.00 0.00 178.31 179.86 1py6 h LEU 28 N 0.62 -0.25 -0.58 1.54 6.46 -0.21 0.57 115.31 123.46 1py6 h LEU 28 Ca 0.09 0.02 0.04 0.00 -0.12 0.00 0.00 57.88 57.91 1py6 h LEU 28 Cb 0.75 0.08 -0.04 0.00 -0.73 0.00 0.00 40.66 40.72 1py6 h LEU 28 CO 0.06 -0.15 0.34 0.58 -0.62 0.00 0.00 178.44 178.64 1py6 h VAL 29 N -0.23 1.02 -0.35 1.05 2.07 -0.67 -1.02 116.25 118.13 1py6 h VAL 29 Ca -0.00 -0.22 -0.14 0.00 0.82 0.00 0.00 66.70 67.15 1py6 h VAL 29 Cb 0.21 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 1py6 h VAL 29 CO -0.02 0.12 -0.34 0.50 0.02 0.00 0.00 177.57 177.85 1py6 h LYS 30 N 0.66 0.80 -0.47 1.57 3.64 -1.07 -3.23 116.57 118.46 1py6 h LYS 30 Ca 0.25 -0.39 -0.11 0.00 -1.27 0.00 0.00 60.65 59.12 1py6 h LYS 30 Cb 0.08 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 1py6 h LYS 30 CO -0.13 1.02 -0.15 0.78 -2.27 0.00 0.00 179.45 178.71 1py6 h GLY 31 N 0.91 0.97 0.70 5.01 0.00 0.68 -3.05 103.07 108.29 1py6 h GLY 31 Ca 0.07 -0.79 0.00 0.00 0.00 0.00 0.00 47.33 46.61 1py6 h GLY 31 CO 0.08 0.72 0.00 1.03 0.00 0.00 0.00 176.54 178.37 1py6 n MET 32 N -4.14 1.13 -0.05 4.80 2.81 -0.44 -3.27 117.12 117.97 1py6 n MET 32 Ca 0.01 -0.19 -0.04 0.00 -1.81 0.00 0.00 57.70 55.67 1py6 n MET 32 Cb 0.41 -1.49 -0.14 0.00 -0.71 0.00 0.00 33.22 31.29 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 1.03 -1.04 3.77 3.03 0.00 -1.16 -4.94 105.19 105.87 1py6 n GLY 33 Ca 0.23 -0.28 -0.39 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.77 3.32 -0.10 1.61 1.01 -1.20 -4.97 120.40 117.29 1py6 s VAL 34 Ca -0.07 1.18 0.16 0.00 0.00 0.00 0.00 61.98 63.25 1py6 s VAL 34 Cb 0.08 -3.69 -0.24 0.00 0.00 0.00 0.00 36.38 32.53 1py6 s VAL 34 CO 0.84 0.17 0.21 -1.54 0.00 0.00 0.00 175.10 174.78 1py6 n SER 35 N 0.49 0.89 -4.70 3.32 3.41 -1.26 -4.89 113.62 110.87 1py6 n SER 35 Ca 0.02 0.00 -0.44 0.00 -0.26 0.00 0.00 58.87 58.20 1py6 n SER 35 Cb 0.46 1.31 -0.03 0.00 -0.26 0.00 0.00 64.21 65.69 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 -2.40 3.62 0.14 4.04 2.03 -1.26 -4.91 116.55 117.81 1py6 n ASP 36 Ca -0.17 1.08 -0.14 0.00 0.52 0.00 0.00 54.79 56.08 1py6 n ASP 36 Cb 0.79 -1.52 -0.08 0.00 -0.72 0.00 0.00 41.12 39.60 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 6.21 -0.27 -0.31 -0.67 0.11 -1.96 -0.90 132.00 134.22 1py6 h PRO 37 Ca -0.44 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1py6 h PRO 37 Cb 1.22 0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.38 1py6 h PRO 37 CO 0.91 -0.18 0.20 -0.44 -0.21 0.00 0.00 178.00 178.28 1py6 h ASP 38 N -0.28 0.35 -0.98 -2.05 3.32 -1.91 -1.38 116.42 113.50 1py6 h ASP 38 Ca -0.03 -0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.02 1py6 h ASP 38 Cb 0.21 -0.09 -0.05 0.00 0.22 0.00 0.00 39.33 39.63 1py6 h ASP 38 CO 0.04 0.26 0.65 0.00 -1.72 0.00 0.00 179.24 178.47 1py6 h ALA 39 N 1.11 1.25 -0.73 3.45 0.00 -1.32 -1.53 119.26 121.48 1py6 h ALA 39 Ca 0.11 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.99 1py6 h ALA 39 Cb -0.04 -0.39 -0.05 0.00 0.00 0.00 0.00 17.79 17.31 1py6 h ALA 39 CO -0.02 0.62 0.46 0.87 0.00 0.00 0.00 179.25 181.18 1py6 h LYS 40 N 1.32 0.88 0.23 0.00 1.79 -0.68 0.11 116.57 120.21 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 -0.14 -0.20 -0.04 0.00 -1.58 0.00 0.00 32.23 30.28 1py6 h LYS 40 CO -0.08 0.58 -0.39 -0.22 -1.08 0.00 0.00 179.45 178.26 1py6 h LYS 41 N 0.91 -0.67 -0.88 3.15 3.64 -0.28 0.16 116.57 122.59 1py6 h LYS 41 Ca 0.29 0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.73 1py6 h LYS 41 Cb 0.01 0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 31.94 1py6 h LYS 41 CO -0.11 -0.45 0.58 0.74 -2.27 0.00 0.00 179.45 177.94 1py6 h PHE 42 N -0.70 1.10 -0.68 1.91 0.04 -1.10 -2.15 116.94 115.36 1py6 h PHE 42 Ca 0.00 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.76 1py6 h PHE 42 Cb 0.68 -0.37 -0.03 0.00 2.20 0.00 0.00 35.95 38.43 1py6 h PHE 42 CO -0.29 0.69 0.30 1.88 -0.60 0.00 0.00 178.31 180.28 1py6 h TYR 43 N 1.18 1.01 -0.62 -0.55 0.05 -0.32 -0.30 116.97 117.42 1py6 h TYR 43 Ca 0.32 -0.06 -0.09 0.00 0.05 0.00 0.00 58.73 58.95 1py6 h TYR 43 Cb -0.13 -0.31 -0.02 0.00 1.01 0.00 0.00 36.73 37.28 1py6 h TYR 43 CO -0.01 0.77 0.05 0.00 -1.05 0.00 0.00 178.16 177.92 1py6 h ALA 44 N 1.14 0.83 0.02 3.88 0.00 -0.37 -0.82 119.26 123.94 1py6 h ALA 44 Ca 0.23 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1py6 h ALA 44 Cb 0.17 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1py6 h ALA 44 CO -0.02 0.63 -0.01 0.82 0.00 0.00 0.00 179.25 180.67 1py6 h ILE 45 N 0.97 1.28 0.00 0.00 2.04 -1.22 -2.85 117.51 117.73 1py6 h ILE 45 Ca 0.18 -0.97 -0.03 0.00 1.00 0.00 0.00 64.86 65.05 1py6 h ILE 45 Cb 0.50 1.93 -0.00 0.00 -0.74 0.00 0.00 36.82 38.50 1py6 h ILE 45 CO 0.02 0.25 -0.13 0.74 0.00 0.00 0.00 178.15 179.03 1py6 h THR 46 N -0.45 0.48 0.16 -0.27 2.02 -1.02 -2.78 112.91 111.06 1py6 h THR 46 Ca -0.00 -0.63 -0.31 0.00 0.77 0.00 0.00 66.41 66.24 1py6 h THR 46 Cb 0.43 1.43 0.01 0.00 -1.74 0.00 0.00 68.15 68.28 1py6 h THR 46 CO 0.01 0.12 -1.43 0.74 0.37 0.00 0.00 175.52 175.33 1py6 h THR 47 N 0.00 1.30 -0.46 3.16 2.02 -1.18 -3.32 112.91 114.43 1py6 h THR 47 Ca -0.00 -2.85 -0.04 0.00 0.77 0.00 0.00 66.41 64.29 1py6 h THR 47 Cb 0.42 2.91 -0.02 0.00 -1.74 0.00 0.00 68.15 69.72 1py6 h THR 47 CO 0.02 0.85 0.11 0.25 0.37 0.00 0.00 175.52 177.12 1py6 h LEU 48 N 0.10 0.63 0.16 2.58 5.85 -1.25 -2.91 115.31 120.48 1py6 h LEU 48 Ca -0.21 -0.10 0.02 0.00 0.84 0.00 0.00 57.88 58.42 1py6 h LEU 48 Cb 2.05 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 42.87 1py6 h LEU 48 CO 0.21 0.63 -0.39 0.58 -0.34 0.00 0.00 178.44 179.13 1py6 h VAL 49 N 0.67 0.20 0.00 1.05 2.07 -1.60 -1.04 116.25 117.60 1py6 h VAL 49 Ca 0.15 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.67 1py6 h VAL 49 Cb 0.25 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.22 1py6 h VAL 49 CO -0.00 0.00 0.00 1.55 0.02 0.00 0.00 177.57 179.14 1py6 h PRO 50 N -0.65 0.00 -0.35 1.57 0.13 -1.72 -2.71 132.00 128.27 1py6 h PRO 50 Ca 0.02 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.06 1py6 h PRO 50 Cb 0.66 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.78 1py6 h PRO 50 CO -0.20 0.00 -0.12 0.00 -0.23 0.00 0.00 178.00 177.44 1py6 h ALA 51 N 2.19 0.48 -0.23 -0.56 0.00 -1.22 0.70 119.26 120.62 1py6 h ALA 51 Ca 0.00 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.51 1py6 h ALA 51 Cb 0.66 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1py6 h ALA 51 CO 0.00 0.37 -0.16 0.82 0.00 0.00 0.00 179.25 180.28 1py6 h ILE 52 N 0.48 1.31 -0.75 0.00 2.04 -1.12 -2.61 117.51 116.86 1py6 h ILE 52 Ca 0.08 -1.27 0.02 0.00 1.00 0.00 0.00 64.86 64.70 1py6 h ILE 52 Cb 0.65 1.63 -0.04 0.00 -0.74 0.00 0.00 36.82 38.31 1py6 h ILE 52 CO 0.04 0.39 0.48 0.00 0.00 0.00 0.00 178.15 179.07 1py6 h ALA 53 N 0.70 0.98 -0.10 1.87 0.00 -1.40 -2.03 119.26 119.28 1py6 h ALA 53 Ca 0.05 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.95 1py6 h ALA 53 Cb 0.68 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1py6 h ALA 53 CO 0.04 0.30 -0.06 0.35 0.00 0.00 0.00 179.25 179.88 1py6 h PHE 54 N 0.95 -0.15 -0.95 0.00 3.57 -0.79 0.16 116.94 119.75 1py6 h PHE 54 Ca 0.29 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.83 1py6 h PHE 54 Cb -0.02 0.08 -0.05 0.00 2.79 0.00 0.00 35.95 38.74 1py6 h PHE 54 CO -0.03 -0.10 0.62 1.79 -2.23 0.00 0.00 178.31 178.36 1py6 h THR 55 N -0.06 1.18 -0.14 4.41 1.35 -1.08 0.21 112.91 118.77 1py6 h THR 55 Ca 0.06 -0.42 -0.23 0.00 -0.55 0.00 0.00 66.41 65.28 1py6 h THR 55 Cb 0.15 -0.14 0.01 0.00 -1.73 0.00 0.00 68.15 66.44 1py6 h THR 55 CO -0.14 0.22 -0.80 0.24 -0.25 0.00 0.00 175.52 174.80 1py6 h MET 56 N 1.21 0.79 -0.73 4.72 2.86 -1.02 -1.05 114.93 121.71 1py6 h MET 56 Ca 0.37 -0.65 -0.05 0.00 -2.06 0.00 0.00 59.70 57.31 1py6 h MET 56 Cb -0.03 0.14 -0.03 0.00 0.06 0.00 0.00 31.60 31.73 1py6 h MET 56 CO -0.11 1.26 0.28 1.88 1.06 0.00 0.00 176.91 181.27 1py6 h TYR 57 N 0.53 1.12 -0.30 -0.22 0.05 -0.46 -0.81 116.97 116.88 1py6 h TYR 57 Ca -0.06 -0.09 -0.01 0.00 0.05 0.00 0.00 58.73 58.62 1py6 h TYR 57 Cb 1.43 -0.33 -0.01 0.00 1.01 0.00 0.00 36.73 38.82 1py6 h TYR 57 CO 0.09 0.87 0.16 1.25 -1.05 0.00 0.00 178.16 179.47 1py6 h LEU 58 N 1.05 0.39 -0.32 3.88 6.46 -0.89 0.34 115.31 126.22 1py6 h LEU 58 Ca 0.24 -0.10 0.02 0.00 -0.12 0.00 0.00 57.88 57.92 1py6 h LEU 58 Cb 0.23 -0.10 -0.02 0.00 -0.73 0.00 0.00 40.66 40.04 1py6 h LEU 58 CO -0.02 0.38 0.16 0.28 -0.62 0.00 0.00 178.44 178.62 1py6 h SER 59 N 0.36 0.25 -0.56 1.25 0.02 -0.85 0.73 113.55 114.74 1py6 h SER 59 Ca 0.11 0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 61.00 1py6 h SER 59 Cb 0.09 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 62.56 1py6 h SER 59 CO -0.02 0.18 0.13 0.24 -1.14 0.00 0.00 176.83 176.23 1py6 h MET 60 N 0.34 0.95 -0.78 3.45 2.86 -0.89 0.22 114.93 121.07 1py6 h MET 60 Ca 0.13 -0.22 -0.01 0.00 -2.06 0.00 0.00 59.70 57.54 1py6 h MET 60 Cb 0.04 -0.13 -0.04 0.00 0.06 0.00 0.00 31.60 31.53 1py6 h MET 60 CO -0.08 0.86 0.46 1.25 1.06 0.00 0.00 176.91 180.46 1py6 h LEU 61 N 0.91 0.95 0.00 1.22 5.85 0.38 -2.01 115.31 122.61 1py6 h LEU 61 Ca 0.19 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.84 1py6 h LEU 61 Cb 0.35 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.14 1py6 h LEU 61 CO 0.00 0.74 0.00 0.18 -0.34 0.00 0.00 178.44 179.03 1py6 n LEU 62 N -4.47 0.00 0.00 2.25 4.77 0.19 -4.88 117.00 114.86 1py6 n LEU 62 Ca 0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 1py6 n LEU 62 Cb 0.07 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1py6 n LEU 62 CO 0.37 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 1py6 n GLY 63 N 0.65 0.89 3.93 -0.72 0.00 -0.64 -5.04 105.19 104.25 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 -2.02 2.42 -0.90 1.61 1.51 -0.04 -4.60 117.35 115.32 1py6 s TYR 64 Ca 0.00 -0.55 0.00 0.00 -1.01 0.00 0.00 57.07 55.51 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 -0.36 0.00 0.41 -1.11 0.00 0.00 175.55 174.49 1py6 n GLY 65 N -1.72 1.01 3.21 0.71 0.00 -1.26 -3.67 105.19 103.47 1py6 n GLY 65 Ca 0.05 -0.46 -0.30 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.93 2.03 -0.00 0.99 2.96 -1.26 -0.16 118.68 121.30 1py6 s LEU 66 Ca 0.00 -0.49 -0.01 0.00 -0.22 0.00 0.00 54.13 53.40 1py6 s LEU 66 Cb 0.00 -1.29 -0.00 0.00 0.50 0.00 0.00 46.19 45.39 1py6 s LEU 66 CO 0.00 0.19 0.03 0.28 -1.32 0.00 0.00 176.35 175.52 1py6 s THR 67 N 0.10 0.05 -0.36 3.68 -1.32 0.03 -4.95 115.64 112.87 1py6 s THR 67 Ca -0.10 -0.38 -0.20 0.00 -1.21 0.00 0.00 61.69 59.80 1py6 s THR 67 Cb -0.15 -0.17 0.00 0.00 -1.51 0.00 0.00 72.50 70.68 1py6 s THR 67 CO 0.05 -0.21 0.63 -0.04 -2.21 0.00 0.00 174.62 172.85 1py6 s MET 68 N -0.62 3.66 -0.18 7.08 1.00 -1.26 0.71 119.30 129.70 1py6 s MET 68 Ca -0.07 0.03 -0.04 0.00 0.00 0.00 0.00 55.69 55.61 1py6 s MET 68 Cb -0.04 -3.82 -0.03 0.00 0.00 0.00 0.00 34.83 30.95 1py6 s MET 68 CO -0.00 -0.75 -0.02 0.08 0.00 0.00 0.00 175.02 174.33 1py6 s VAL 69 N 2.71 3.91 -0.05 -6.03 1.01 0.20 -4.82 120.40 117.34 1py6 s VAL 69 Ca 0.24 -0.34 -0.25 0.00 0.00 0.00 0.00 61.98 61.63 1py6 s VAL 69 Cb -0.14 -2.74 -0.03 0.00 0.00 0.00 0.00 36.38 33.46 1py6 s VAL 69 CO 0.15 0.46 0.79 -2.16 0.00 0.00 0.00 175.10 174.34 1py6 s PRO 70 N 0.66 4.47 -0.26 2.72 0.04 -1.26 -0.24 135.00 141.14 1py6 s PRO 70 Ca -0.01 1.05 -0.34 0.00 0.04 0.00 0.00 61.00 61.74 1py6 s PRO 70 Cb -0.14 -3.45 0.16 0.00 0.04 0.00 0.00 34.50 31.11 1py6 s PRO 70 CO 0.02 0.02 1.31 -0.59 0.04 0.00 0.00 177.00 177.80 1py6 s PHE 71 N 0.89 -0.07 -0.96 0.56 -0.12 -0.66 -4.54 117.98 113.08 1py6 s PHE 71 Ca 0.42 0.08 0.00 0.00 -0.05 0.00 0.00 56.93 57.38 1py6 s PHE 71 Cb -0.19 0.50 0.00 0.00 -0.63 0.00 0.00 43.02 42.70 1py6 s PHE 71 CO 0.21 -0.09 0.00 0.41 -0.05 0.00 0.00 175.22 175.70 1py6 n GLY 72 N 0.20 0.98 2.22 1.99 0.00 -1.26 -1.42 105.19 107.90 1py6 n GLY 72 Ca 0.01 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.74 0.71 3.55 -0.02 0.00 -1.26 -5.03 105.19 102.40 1py6 n GLY 73 Ca -0.09 0.00 -0.26 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 -0.07 1.81 -0.70 1.61 0.41 -0.51 -5.08 118.70 116.17 1py6 s GLU 74 Ca 0.00 -1.96 -0.12 0.00 -0.41 0.00 0.00 54.97 52.48 1py6 s GLU 74 Cb 0.00 -1.59 0.18 0.00 -1.78 0.00 0.00 34.13 30.94 1py6 s GLU 74 CO 0.00 0.07 0.61 -1.14 -0.49 0.00 0.00 175.26 174.32 1py6 s GLN 75 N -3.66 3.19 -0.03 1.61 2.00 -1.26 -1.66 119.66 119.84 1py6 s GLN 75 Ca 0.33 -2.26 -0.24 0.00 -2.00 0.00 0.00 55.36 51.19 1py6 s GLN 75 Cb 0.05 -4.23 -0.04 0.00 0.80 0.00 0.00 33.01 29.59 1py6 s GLN 75 CO 0.16 -1.27 0.75 -0.80 -0.50 0.00 0.00 175.29 173.63 1py6 s ASN 76 N 2.24 7.08 -0.49 6.67 -0.87 0.67 -4.77 114.94 125.47 1py6 s ASN 76 Ca 0.14 1.30 -0.28 0.00 -1.57 0.00 0.00 52.86 52.44 1py6 s ASN 76 Cb -0.17 -2.44 0.01 0.00 -0.02 0.00 0.00 41.25 38.63 1py6 s ASN 76 CO -0.05 -0.10 1.38 -2.16 -2.57 0.00 0.00 177.10 173.60 1py6 s PRO 77 N 0.63 3.47 -0.25 -0.60 0.04 -1.26 0.63 135.00 137.66 1py6 s PRO 77 Ca 0.39 0.67 -0.03 0.00 0.04 0.00 0.00 61.00 62.08 1py6 s PRO 77 Cb -0.19 -4.05 0.01 0.00 0.04 0.00 0.00 34.50 30.31 1py6 s PRO 77 CO 0.20 -1.71 -0.03 0.42 0.04 0.00 0.00 177.00 175.92 1py6 s ILE 78 N 5.58 3.21 -0.79 0.56 -1.09 0.22 -4.86 121.20 124.04 1py6 s ILE 78 Ca 0.56 -0.79 -0.25 0.00 -2.23 0.00 0.00 60.65 57.94 1py6 s ILE 78 Cb -0.11 -2.58 0.05 0.00 -1.58 0.00 0.00 42.46 38.24 1py6 s ILE 78 CO 0.29 0.26 1.23 -0.31 -1.23 0.00 0.00 174.94 175.18 1py6 s TYR 79 N 1.41 2.48 -0.44 3.97 2.02 -1.26 -0.79 117.35 124.73 1py6 s TYR 79 Ca 0.03 -0.42 0.23 0.00 -0.37 0.00 0.00 57.07 56.54 1py6 s TYR 79 Cb -0.16 -4.54 0.34 0.00 -0.40 0.00 0.00 41.96 37.20 1py6 s TYR 79 CO -0.03 -1.91 1.57 0.11 -1.57 0.00 0.00 175.55 173.72 1py6 h TRP 80 N 9.79 0.00 -0.30 2.71 5.08 -0.92 -3.23 115.95 129.08 1py6 h TRP 80 Ca -0.16 0.00 0.09 0.00 1.08 0.00 0.00 58.89 59.90 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 1.12 0.00 0.28 0.00 -1.28 0.00 0.00 178.44 178.57 1py6 h ALA 81 N 2.04 2.03 -0.88 0.11 0.00 -1.78 -1.34 119.26 119.45 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 -0.44 0.55 0.00 0.00 0.00 0.00 179.25 179.37 1py6 h ARG 82 N 0.00 1.01 0.00 0.00 3.08 -1.85 -1.41 114.38 115.22 1py6 h ARG 82 Ca 0.14 -0.06 -0.08 0.00 0.07 0.00 0.00 59.98 60.05 1py6 h ARG 82 Cb 0.71 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 1py6 h ARG 82 CO -0.00 0.67 -0.37 1.88 -1.07 0.00 0.00 179.97 181.08 1py6 h TYR 83 N 1.04 0.00 -0.11 3.04 0.05 -1.49 0.18 116.97 119.68 1py6 h TYR 83 Ca 0.37 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 59.04 1py6 h TYR 83 Cb 0.10 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.83 1py6 h TYR 83 CO -0.02 0.37 -0.41 0.00 -1.05 0.00 0.00 178.16 177.04 1py6 h ALA 84 N 1.63 1.10 0.19 3.88 0.00 -1.26 0.76 119.26 125.57 1py6 h ALA 84 Ca -0.00 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 1py6 h ALA 84 Cb 0.91 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1py6 h ALA 84 CO 0.05 0.59 -0.09 0.22 0.00 0.00 0.00 179.25 180.02 1py6 h ASP 85 N 0.21 -0.22 -0.33 0.00 1.82 -0.81 -3.36 116.42 113.73 1py6 h ASP 85 Ca 0.02 0.01 0.10 0.00 -0.39 0.00 0.00 57.03 56.76 1py6 h ASP 85 Cb 0.82 0.06 -0.01 0.00 0.68 0.00 0.00 39.33 40.87 1py6 h ASP 85 CO 0.06 0.04 0.25 -0.50 -1.61 0.00 0.00 179.24 177.48 1py6 h TRP 86 N -0.65 0.00 -0.83 0.28 6.55 -0.98 -1.72 115.95 118.60 1py6 h TRP 86 Ca -0.03 0.00 0.11 0.00 0.95 0.00 0.00 58.89 59.92 1py6 h TRP 86 Cb 0.20 0.00 -0.06 0.00 -0.86 0.00 0.00 29.16 28.44 1py6 h TRP 86 CO 0.03 0.00 0.54 1.25 -1.05 0.00 0.00 178.44 179.21 1py6 h LEU 87 N 0.00 0.66 0.00 -4.49 5.85 -0.98 -2.15 115.31 114.21 1py6 h LEU 87 Ca 0.16 0.02 -0.33 0.00 0.84 0.00 0.00 57.88 58.57 1py6 h LEU 87 Cb 0.65 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.50 1py6 h LEU 87 CO -0.00 0.38 -2.25 0.49 -0.34 0.00 0.00 178.44 176.72 1py6 n PHE 88 N -4.52 0.00 0.05 1.25 3.72 -0.92 -4.43 117.46 112.61 1py6 n PHE 88 Ca 0.15 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.37 1py6 n PHE 88 Cb 0.37 -0.88 -0.09 0.00 -0.94 0.00 0.00 39.48 37.94 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 1.32 -0.33 4.37 1.35 -1.31 -3.05 112.91 115.26 1py6 h THR 89 Ca -0.49 -2.34 -0.02 0.00 -0.55 0.00 0.00 66.41 63.00 1py6 h THR 89 Cb 2.03 2.42 -0.01 0.00 -1.73 0.00 0.00 68.15 70.86 1py6 h THR 89 CO 0.00 0.71 0.11 0.71 -0.25 0.00 0.00 175.52 176.81 1py6 h THR 90 N 0.33 1.20 -0.03 6.82 1.35 -1.64 -1.54 112.91 119.41 1py6 h THR 90 Ca -0.12 -0.64 -0.07 0.00 -0.55 0.00 0.00 66.41 65.03 1py6 h THR 90 Cb 1.68 1.00 -0.01 0.00 -1.73 0.00 0.00 68.15 69.09 1py6 h THR 90 CO 0.19 0.22 -0.33 1.55 -0.25 0.00 0.00 175.52 176.91 1py6 h PRO 91 N 0.38 0.05 -0.57 4.72 0.13 -1.77 -1.86 132.00 133.08 1py6 h PRO 91 Ca 0.11 -0.02 -0.06 0.00 -0.87 0.00 0.00 66.00 65.16 1py6 h PRO 91 Cb 0.23 -0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.34 1py6 h PRO 91 CO -0.00 0.37 0.12 -0.07 -0.23 0.00 0.00 178.00 178.19 1py6 h LEU 92 N 0.04 0.88 -0.78 1.56 3.38 -1.37 0.11 115.31 119.13 1py6 h LEU 92 Ca 0.00 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.70 1py6 h LEU 92 Cb 0.60 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 1py6 h LEU 92 CO 0.04 0.90 0.38 -0.07 0.09 0.00 0.00 178.44 179.78 1py6 h LEU 93 N 0.83 1.02 -0.88 1.67 3.38 -0.94 -1.05 115.31 119.34 1py6 h LEU 93 Ca 0.18 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1py6 h LEU 93 Cb 0.37 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 1py6 h LEU 93 CO 0.01 0.86 0.51 -0.07 0.09 0.00 0.00 178.44 179.84 1py6 h LEU 94 N 1.10 1.07 -0.72 1.67 4.07 -0.89 -2.33 115.31 119.29 1py6 h LEU 94 Ca 0.27 -0.08 -0.07 0.00 0.08 0.00 0.00 57.88 58.08 1py6 h LEU 94 Cb 0.11 -0.27 -0.03 0.00 1.08 0.00 0.00 40.66 41.55 1py6 h LEU 94 CO -0.03 0.84 0.20 0.25 -1.08 0.00 0.00 178.44 178.61 1py6 h LEU 95 N 1.22 1.08 -0.32 1.67 5.85 -0.07 -0.23 115.31 124.50 1py6 h LEU 95 Ca 0.31 -0.22 0.04 0.00 0.84 0.00 0.00 57.88 58.85 1py6 h LEU 95 Cb -0.02 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.69 1py6 h LEU 95 CO -0.06 1.02 0.09 0.44 -0.34 0.00 0.00 178.44 179.59 1py6 h ASP 96 N 1.09 0.06 -0.67 1.25 3.32 -0.72 0.74 116.42 121.49 1py6 h ASP 96 Ca 0.23 0.04 -0.07 0.00 0.02 0.00 0.00 57.03 57.25 1py6 h ASP 96 Cb 0.35 0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.92 1py6 h ASP 96 CO -0.00 0.07 0.14 -0.07 -1.72 0.00 0.00 179.24 177.66 1py6 h LEU 97 N 0.21 1.05 -0.25 1.55 3.38 -1.05 -2.15 115.31 118.05 1py6 h LEU 97 Ca 0.15 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1py6 h LEU 97 Cb 0.14 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1py6 h LEU 97 CO -0.18 1.02 0.10 0.00 0.09 0.00 0.00 178.44 179.47 1py6 h ALA 98 N 1.10 0.32 -0.30 1.53 0.00 -0.49 -2.57 119.26 118.85 1py6 h ALA 98 Ca 0.21 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1py6 h ALA 98 Cb 0.40 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1py6 h ALA 98 CO 0.01 -0.08 0.00 -0.07 0.00 0.00 0.00 179.25 179.11 1py6 h LEU 99 N 0.25 0.43 -0.52 0.00 3.38 -0.79 0.49 115.31 118.55 1py6 h LEU 99 Ca 0.08 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1py6 h LEU 99 Cb 0.18 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1py6 h LEU 99 CO -0.01 0.49 0.25 0.25 0.09 0.00 0.00 178.44 179.52 1py6 h LEU 100 N 0.45 0.68 -2.36 1.67 5.85 -1.00 -2.97 115.31 117.62 1py6 h LEU 100 Ca 0.10 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.69 1py6 h LEU 100 Cb 0.29 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.14 1py6 h LEU 100 CO 0.01 0.61 0.00 1.33 -0.34 0.00 0.00 178.44 180.05 1py6 n VAL 101 N -4.60 0.74 -3.45 1.05 0.24 -1.04 -4.95 118.33 106.32 1py6 n VAL 101 Ca 0.02 -0.82 -0.20 0.00 -2.04 0.00 0.00 64.34 61.30 1py6 n VAL 101 Cb 0.11 0.61 0.08 0.00 -1.47 0.00 0.00 33.84 33.17 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 1.42 -4.39 -4.67 -1.34 2.03 -0.68 -4.55 116.55 104.38 1py6 n ASP 102 Ca 0.21 -0.54 -0.32 0.00 0.52 0.00 0.00 54.79 54.66 1py6 n ASP 102 Cb 0.57 -4.81 0.15 0.00 -0.72 0.00 0.00 41.12 36.31 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 -4.47 -0.63 -2.11 -1.67 0.00 0.08 -4.99 120.51 106.71 1py6 n ALA 103 Ca -0.11 -0.49 -0.30 0.00 0.00 0.00 0.00 53.44 52.54 1py6 n ALA 103 Cb 0.60 -2.20 -0.03 0.00 0.00 0.00 0.00 19.45 17.82 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 -2.44 6.50 0.27 0.00 1.01 -1.26 -4.92 116.67 115.83 1py6 s ASP 104 Ca 0.69 1.21 -0.01 0.00 0.71 0.00 0.00 52.55 55.15 1py6 s ASP 104 Cb -0.25 -2.36 0.47 0.00 1.01 0.00 0.00 42.92 41.79 1py6 s ASP 104 CO 0.56 -0.48 1.86 -0.61 0.21 0.00 0.00 175.17 176.71 1py6 h GLN 105 N 1.01 1.06 -0.82 8.23 4.15 -1.99 -1.43 115.11 125.31 1py6 h GLN 105 Ca -0.47 -0.06 -0.00 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 0.70 0.50 0.78 -1.93 0.00 0.00 178.83 179.52 1py6 h GLY 106 N 1.09 1.19 0.88 2.39 0.00 -1.99 0.47 103.07 107.10 1py6 h GLY 106 Ca 0.46 -0.49 -0.00 0.00 0.00 0.00 0.00 47.33 47.30 1py6 h GLY 106 CO -0.22 0.47 -0.02 -0.84 0.00 0.00 0.00 176.54 175.94 1py6 h THR 107 N 1.13 1.05 -0.34 4.70 2.02 -1.70 -1.12 112.91 118.65 1py6 h THR 107 Ca 0.30 -0.28 0.02 0.00 0.77 0.00 0.00 66.41 67.21 1py6 h THR 107 Cb -0.06 1.24 -0.03 0.00 -1.74 0.00 0.00 68.15 67.57 1py6 h THR 107 CO -0.06 0.07 0.18 0.40 0.37 0.00 0.00 175.52 176.49 1py6 h ILE 108 N -0.18 1.01 -0.29 3.11 2.04 -1.06 0.15 117.51 122.30 1py6 h ILE 108 Ca -0.01 -0.13 0.03 0.00 1.00 0.00 0.00 64.86 65.76 1py6 h ILE 108 Cb 0.16 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 36.81 1py6 h ILE 108 CO 0.01 0.07 0.10 0.25 0.00 0.00 0.00 178.15 178.58 1py6 h LEU 109 N 0.37 0.12 -1.03 1.44 6.46 -0.80 0.76 115.31 122.65 1py6 h LEU 109 Ca 0.14 0.03 -0.05 0.00 -0.12 0.00 0.00 57.88 57.87 1py6 h LEU 109 Cb 0.03 0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 39.95 1py6 h LEU 109 CO -0.08 0.10 0.10 0.00 -0.62 0.00 0.00 178.44 177.94 1py6 h ALA 110 N 1.18 1.21 -0.24 1.25 0.00 -0.74 -0.58 119.26 121.34 1py6 h ALA 110 Ca 0.13 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 1py6 h ALA 110 Cb 0.09 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1py6 h ALA 110 CO -0.13 0.54 -0.24 -0.07 0.00 0.00 0.00 179.25 179.35 1py6 h LEU 111 N 0.77 0.62 -1.11 0.00 3.38 0.02 -1.19 115.31 117.80 1py6 h LEU 111 Ca 0.17 -0.47 -0.07 0.00 0.09 0.00 0.00 57.88 57.59 1py6 h LEU 111 Cb 0.32 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1py6 h LEU 111 CO 0.00 0.97 -0.17 0.58 0.09 0.00 0.00 178.44 179.91 1py6 h VAL 112 N 0.29 1.23 -0.33 1.22 2.07 -0.75 -0.60 116.25 119.39 1py6 h VAL 112 Ca 0.04 -1.06 -0.17 0.00 0.82 0.00 0.00 66.70 66.33 1py6 h VAL 112 Cb 0.79 1.23 -0.00 0.00 -1.52 0.00 0.00 31.29 31.80 1py6 h VAL 112 CO 0.06 0.34 -0.47 1.23 0.02 0.00 0.00 177.57 178.75 1py6 h GLY 113 N 0.93 0.98 1.29 2.17 0.00 -1.03 0.22 103.07 107.63 1py6 h GLY 113 Ca 0.07 -1.08 -0.08 0.00 0.00 0.00 0.00 47.33 46.24 1py6 h GLY 113 CO 0.03 0.97 0.02 0.00 0.00 0.00 0.00 176.54 177.57 1py6 h ALA 114 N 0.72 1.05 -0.50 3.60 0.00 -0.96 -1.87 119.26 121.30 1py6 h ALA 114 Ca 0.03 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 1py6 h ALA 114 Cb 1.07 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1py6 h ALA 114 CO 0.11 0.60 0.11 0.22 0.00 0.00 0.00 179.25 180.28 1py6 h ASP 115 N 0.81 0.77 -0.72 0.00 1.82 -0.95 -0.48 116.42 117.67 1py6 h ASP 115 Ca 0.16 -0.24 -0.01 0.00 -0.39 0.00 0.00 57.03 56.54 1py6 h ASP 115 Cb 0.46 -0.20 -0.03 0.00 0.68 0.00 0.00 39.33 40.23 1py6 h ASP 115 CO 0.02 0.82 0.40 1.23 -1.61 0.00 0.00 179.24 180.09 1py6 h GLY 116 N 0.70 1.07 0.95 -0.78 0.00 -0.58 -1.86 103.07 102.57 1py6 h GLY 116 Ca 0.16 -0.48 -0.01 0.00 0.00 0.00 0.00 47.33 46.99 1py6 h GLY 116 CO 0.00 0.47 0.17 -2.22 0.00 0.00 0.00 176.54 174.96 1py6 h ILE 117 N 0.99 1.15 -0.37 2.60 2.04 -1.07 0.53 117.51 123.38 1py6 h ILE 117 Ca 0.25 -0.39 0.06 0.00 1.00 0.00 0.00 64.86 65.78 1py6 h ILE 117 Cb 0.03 0.81 -0.06 0.00 -0.74 0.00 0.00 36.82 36.86 1py6 h ILE 117 CO -0.04 0.15 0.01 -0.03 0.00 0.00 0.00 178.15 178.24 1py6 h MET 118 N 0.40 0.11 -0.09 2.37 4.05 -0.70 0.13 114.93 121.21 1py6 h MET 118 Ca 0.11 -0.01 -0.22 0.00 -0.28 0.00 0.00 59.70 59.31 1py6 h MET 118 Cb 0.08 -0.02 0.01 0.00 -0.80 0.00 0.00 31.60 30.87 1py6 h MET 118 CO -0.02 0.07 -0.82 0.82 0.23 0.00 0.00 176.91 177.19 1py6 h ILE 119 N 0.11 1.33 0.16 1.77 1.08 -1.29 -2.15 117.51 118.51 1py6 h ILE 119 Ca 0.18 -2.14 -0.01 0.00 -0.39 0.00 0.00 64.86 62.51 1py6 h ILE 119 Cb 0.24 2.14 0.00 0.00 -3.07 0.00 0.00 36.82 36.14 1py6 h ILE 119 CO -0.29 0.66 -0.07 1.23 -0.69 0.00 0.00 178.15 178.98 1py6 h GLY 120 N 0.89 -0.22 1.98 5.37 0.00 -0.54 -1.19 103.07 109.36 1py6 h GLY 120 Ca -0.06 0.08 -0.11 0.00 0.00 0.00 0.00 47.33 47.24 1py6 h GLY 120 CO 0.15 -0.08 -0.50 -0.91 0.00 0.00 0.00 176.54 175.20 1py6 h THR 121 N -0.40 1.36 -0.16 4.70 1.35 -0.86 -2.00 112.91 116.89 1py6 h THR 121 Ca -0.02 -1.73 0.01 0.00 -0.55 0.00 0.00 66.41 64.12 1py6 h THR 121 Cb 0.32 1.92 -0.01 0.00 -1.73 0.00 0.00 68.15 68.64 1py6 h THR 121 CO 0.03 0.50 0.07 1.23 -0.25 0.00 0.00 175.52 177.10 1py6 h GLY 122 N 1.50 0.20 0.98 5.82 0.00 -1.20 0.83 103.07 111.20 1py6 h GLY 122 Ca -0.00 -0.05 -0.08 0.00 0.00 0.00 0.00 47.33 47.20 1py6 h GLY 122 CO 0.07 0.04 -0.02 -2.00 0.00 0.00 0.00 176.54 174.63 1py6 h LEU 123 N 0.16 0.79 -0.87 3.11 5.85 -1.08 0.07 115.31 123.34 1py6 h LEU 123 Ca 0.07 -0.32 0.06 0.00 0.84 0.00 0.00 57.88 58.52 1py6 h LEU 123 Cb 0.02 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 40.78 1py6 h LEU 123 CO -0.05 0.92 0.55 0.58 -0.34 0.00 0.00 178.44 180.10 1py6 h VAL 124 N 0.64 1.07 -0.42 1.05 2.07 -1.09 -0.05 116.25 119.52 1py6 h VAL 124 Ca 0.12 -0.35 -0.15 0.00 0.82 0.00 0.00 66.70 67.15 1py6 h VAL 124 Cb 0.53 -0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.25 1py6 h VAL 124 CO 0.03 0.19 -0.31 1.23 0.02 0.00 0.00 177.57 178.72 1py6 h GLY 125 N 1.01 1.03 2.00 2.17 0.00 -0.55 -0.71 103.07 108.02 1py6 h GLY 125 Ca 0.37 -1.00 0.00 0.00 0.00 0.00 0.00 47.33 46.71 1py6 h GLY 125 CO -0.16 0.90 0.00 0.00 0.00 0.00 0.00 176.54 177.28 1py6 h ALA 126 N 0.80 1.00 0.00 3.60 0.00 0.05 -2.87 119.26 121.85 1py6 h ALA 126 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1py6 h ALA 126 Cb 0.90 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1py6 h ALA 126 CO 0.08 0.00 -1.05 1.28 0.00 0.00 0.00 179.25 179.56 1py6 n LEU 127 N -2.91 0.61 -4.75 0.00 4.77 -0.13 -4.95 117.00 109.64 1py6 n LEU 127 Ca -0.01 -0.38 -0.41 0.00 -0.03 0.00 0.00 56.01 55.18 1py6 n LEU 127 Cb 0.19 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.26 1py6 n LEU 127 CO 0.22 0.15 1.14 -0.89 -1.33 0.00 0.00 177.39 176.69 1py6 s THR 128 N -2.77 2.43 -0.31 -5.08 2.01 -0.30 -4.95 115.64 106.68 1py6 s THR 128 Ca 0.03 0.37 0.23 0.00 0.31 0.00 0.00 61.69 62.63 1py6 s THR 128 Cb 0.13 -3.24 0.04 0.00 0.01 0.00 0.00 72.50 69.44 1py6 s THR 128 CO 0.71 0.06 1.14 0.11 -0.69 0.00 0.00 174.62 175.96 1py6 h LYS 129 N 4.71 0.00 -5.62 4.92 1.57 -1.90 -3.44 116.57 116.81 1py6 h LYS 129 Ca -0.47 0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 57.68 1py6 h LYS 129 Cb 1.22 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 33.40 1py6 h LYS 129 CO 0.76 0.00 0.25 0.08 -0.57 0.00 0.00 179.45 179.97 1py6 s VAL 130 N -3.32 4.79 0.17 0.50 1.01 -1.26 -4.52 120.40 117.76 1py6 s VAL 130 Ca 0.01 0.57 -0.24 0.00 0.00 0.00 0.00 61.98 62.31 1py6 s VAL 130 Cb 0.09 -4.18 0.06 0.00 0.00 0.00 0.00 36.38 32.35 1py6 s VAL 130 CO 0.77 -0.47 1.57 0.22 0.00 0.00 0.00 175.10 177.19 1py6 h TYR 131 N 8.64 -1.17 -0.57 5.22 5.03 -1.92 -1.91 116.97 130.29 1py6 h TYR 131 Ca -0.25 0.08 -0.00 0.00 2.58 0.00 0.00 58.73 61.13 1py6 h TYR 131 Cb 1.10 0.59 -0.03 0.00 1.55 0.00 0.00 36.73 39.94 1py6 h TYR 131 CO 0.77 -0.41 0.35 0.66 -1.32 0.00 0.00 178.16 178.20 1py6 h SER 132 N -0.21 0.67 0.69 -2.11 4.64 -1.97 -2.12 113.55 113.12 1py6 h SER 132 Ca 0.19 -0.03 -0.03 0.00 -0.47 0.00 0.00 61.79 61.45 1py6 h SER 132 Cb 0.56 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1py6 h SER 132 CO -0.68 0.51 -0.13 1.88 -0.87 0.00 0.00 176.83 177.54 1py6 h TYR 133 N 0.78 0.00 -0.49 4.77 0.05 -1.77 -2.21 116.97 118.10 1py6 h TYR 133 Ca 0.21 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.99 1py6 h TYR 133 Cb -0.04 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.68 1py6 h TYR 133 CO 0.00 0.13 0.30 0.00 -1.05 0.00 0.00 178.16 177.55 1py6 h ARG 134 N 0.00 0.65 0.00 4.88 3.08 -1.03 -1.26 114.38 120.71 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 0.51 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.41 1py6 h ARG 134 CO 0.02 0.45 -0.09 0.74 -1.07 0.00 0.00 179.97 180.01 1py6 h PHE 135 N 0.66 0.00 -0.18 3.04 0.04 -1.50 -1.87 116.94 117.13 1py6 h PHE 135 Ca 0.18 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.87 1py6 h PHE 135 Cb -0.05 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.10 1py6 h PHE 135 CO 0.00 0.09 -0.20 0.28 -0.60 0.00 0.00 178.31 177.89 1py6 h VAL 136 N 0.00 1.34 -0.42 -0.55 2.07 -1.19 -0.36 116.25 117.15 1py6 h VAL 136 Ca -0.00 -1.37 -0.07 0.00 0.82 0.00 0.00 66.70 66.08 1py6 h VAL 136 Cb 1.01 1.81 -0.01 0.00 -1.52 0.00 0.00 31.29 32.58 1py6 h VAL 136 CO 0.01 0.41 -0.00 -0.50 0.02 0.00 0.00 177.57 177.52 1py6 h TRP 137 N 0.11 0.80 -0.52 1.57 4.06 -1.42 -2.13 115.95 118.43 1py6 h TRP 137 Ca 0.03 -0.14 0.07 0.00 2.06 0.00 0.00 58.89 60.91 1py6 h TRP 137 Cb 0.75 -0.21 -0.06 0.00 -1.00 0.00 0.00 29.16 28.64 1py6 h TRP 137 CO 0.08 0.80 0.19 2.35 -3.56 0.00 0.00 178.44 178.31 1py6 h TRP 138 N 0.57 0.34 -0.52 0.49 7.01 -1.32 0.12 115.95 122.65 1py6 h TRP 138 Ca 0.12 0.03 0.05 0.00 2.11 0.00 0.00 58.89 61.19 1py6 h TRP 138 Cb 0.48 -0.08 -0.04 0.00 -2.10 0.00 0.00 29.16 27.42 1py6 h TRP 138 CO 0.04 0.12 0.26 0.00 -2.79 0.00 0.00 178.44 176.07 1py6 h ALA 139 N 1.34 0.67 -0.47 2.65 0.00 -0.81 -0.43 119.26 122.20 1py6 h ALA 139 Ca 0.25 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 55.06 1py6 h ALA 139 Cb 0.26 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1py6 h ALA 139 CO -0.24 -0.08 -0.15 0.82 0.00 0.00 0.00 179.25 179.60 1py6 h ILE 140 N 0.51 1.27 -0.85 0.00 2.04 -0.73 -1.98 117.51 117.77 1py6 h ILE 140 Ca 0.23 -1.29 -0.01 0.00 1.00 0.00 0.00 64.86 64.78 1py6 h ILE 140 Cb 0.14 1.13 -0.04 0.00 -0.74 0.00 0.00 36.82 37.30 1py6 h ILE 140 CO -0.16 0.45 0.49 -1.28 0.00 0.00 0.00 178.15 177.64 1py6 h SER 141 N 0.77 1.05 -0.10 1.72 0.87 -0.63 -1.83 113.55 115.41 1py6 h SER 141 Ca 0.11 -0.09 -0.10 0.00 -1.23 0.00 0.00 61.79 60.48 1py6 h SER 141 Cb 0.71 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.39 1py6 h SER 141 CO 0.05 0.83 -0.26 0.74 -0.53 0.00 0.00 176.83 177.66 1py6 h THR 142 N 1.18 1.27 -0.62 2.23 2.02 -0.95 -2.09 112.91 115.96 1py6 h THR 142 Ca 0.30 -1.32 -0.06 0.00 0.77 0.00 0.00 66.41 66.10 1py6 h THR 142 Cb -0.00 1.35 -0.03 0.00 -1.74 0.00 0.00 68.15 67.73 1py6 h THR 142 CO -0.05 0.42 0.15 0.00 0.37 0.00 0.00 175.52 176.42 1py6 h ALA 143 N 1.24 1.10 -0.62 6.16 0.00 -0.87 -0.54 119.26 125.74 1py6 h ALA 143 Ca 0.07 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 1py6 h ALA 143 Cb 0.71 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1py6 h ALA 143 CO 0.05 0.60 0.08 0.00 0.00 0.00 0.00 179.25 179.99 1py6 h ALA 144 N 1.24 0.82 -0.53 0.00 0.00 -1.03 -2.15 119.26 117.61 1py6 h ALA 144 Ca 0.20 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 1py6 h ALA 144 Cb 0.32 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1py6 h ALA 144 CO -0.00 0.59 -0.00 1.98 0.00 0.00 0.00 179.25 181.82 1py6 h MET 145 N 0.94 0.91 -0.17 0.00 -1.53 -0.89 -1.96 114.93 112.23 1py6 h MET 145 Ca 0.18 -0.26 -0.09 0.00 -3.44 0.00 0.00 59.70 56.09 1py6 h MET 145 Cb 0.45 -0.10 -0.01 0.00 -0.55 0.00 0.00 31.60 31.39 1py6 h MET 145 CO 0.02 0.90 -0.30 -0.07 0.14 0.00 0.00 176.91 177.60 1py6 h LEU 146 N 0.84 0.33 -0.17 3.39 3.38 -0.92 0.25 115.31 122.42 1py6 h LEU 146 Ca 0.16 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1py6 h LEU 146 Cb 0.50 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1py6 h LEU 146 CO 0.02 0.63 0.06 0.22 0.09 0.00 0.00 178.44 179.46 1py6 h TYR 147 N 0.29 0.26 -0.25 1.13 3.20 -0.91 0.12 116.97 120.82 1py6 h TYR 147 Ca 0.04 -0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.90 1py6 h TYR 147 Cb 0.68 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.85 1py6 h TYR 147 CO 0.02 0.34 0.13 0.82 -1.64 0.00 0.00 178.16 177.83 1py6 h ILE 148 N 0.10 1.01 -0.56 1.81 2.04 -1.04 -0.94 117.51 119.93 1py6 h ILE 148 Ca 0.05 -0.09 -0.07 0.00 1.00 0.00 0.00 64.86 65.75 1py6 h ILE 148 Cb 0.20 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 36.96 1py6 h ILE 148 CO -0.00 0.05 0.07 -0.07 0.00 0.00 0.00 178.15 178.20 1py6 h LEU 149 N 0.28 0.87 -0.06 1.44 3.38 -0.80 -0.80 115.31 119.61 1py6 h LEU 149 Ca 0.10 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1py6 h LEU 149 Cb 0.01 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.53 1py6 h LEU 149 CO -0.06 0.88 0.04 0.22 0.09 0.00 0.00 178.44 179.61 1py6 h TYR 150 N 0.86 0.07 -0.47 1.13 3.20 -0.41 -0.20 116.97 121.15 1py6 h TYR 150 Ca 0.17 0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.06 1py6 h TYR 150 Cb 0.40 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.62 1py6 h TYR 150 CO 0.02 0.06 0.29 0.28 -1.64 0.00 0.00 178.16 177.17 1py6 h VAL 151 N 0.07 1.07 -0.76 1.81 2.07 -0.90 0.51 116.25 120.12 1py6 h VAL 151 Ca 0.02 -0.20 -0.03 0.00 0.82 0.00 0.00 66.70 67.31 1py6 h VAL 151 Cb 0.00 0.43 -0.04 0.00 -1.52 0.00 0.00 31.29 30.17 1py6 h VAL 151 CO -0.00 0.11 0.37 -0.07 0.02 0.00 0.00 177.57 177.99 1py6 h LEU 152 N 0.59 0.99 0.09 2.57 4.07 -0.91 0.47 115.31 123.17 1py6 h LEU 152 Ca 0.19 -0.11 -0.14 0.00 0.08 0.00 0.00 57.88 57.90 1py6 h LEU 152 Cb -0.01 -0.25 0.01 0.00 1.08 0.00 0.00 40.66 41.49 1py6 h LEU 152 CO -0.07 0.84 -0.63 0.15 -1.08 0.00 0.00 178.44 177.65 1py6 h PHE 153 N 1.09 0.34 0.04 1.13 3.04 -0.63 -3.05 116.94 118.90 1py6 h PHE 153 Ca 0.26 -0.25 -0.26 0.00 3.98 0.00 0.00 57.97 61.71 1py6 h PHE 153 Cb 0.11 -0.01 -0.03 0.00 2.56 0.00 0.00 35.95 38.58 1py6 h PHE 153 CO 0.01 1.24 -1.39 0.74 -2.02 0.00 0.00 178.31 176.90 1py6 h PHE 154 N -0.59 0.16 0.00 0.41 0.04 -0.01 -3.36 116.94 113.60 1py6 h PHE 154 Ca -0.12 -0.12 0.00 0.00 2.80 0.00 0.00 57.97 60.53 1py6 h PHE 154 Cb 1.43 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 39.58 1py6 h PHE 154 CO 0.21 1.54 0.00 0.41 -0.60 0.00 0.00 178.31 179.88 1py6 n GLY 155 N 1.60 -1.52 0.31 -1.45 0.00 0.15 -3.63 105.19 100.64 1py6 n GLY 155 Ca -0.30 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.64 1py6 n GLY 155 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1py6 h PHE 156 N 0.00 -0.77 -1.01 1.61 -1.00 -1.23 -1.37 116.94 113.17 1py6 h PHE 156 Ca 0.00 0.05 0.22 0.00 2.81 0.00 0.00 57.97 61.05 1py6 h PHE 156 Cb 0.00 0.39 -0.11 0.00 3.61 0.00 0.00 35.95 39.83 1py6 h PHE 156 CO 0.12 -0.35 0.61 1.15 -1.61 0.00 0.00 178.31 178.22 1py6 h THR 157 N -0.26 0.61 -0.49 -1.55 2.02 -1.67 0.24 112.91 111.81 1py6 h THR 157 Ca 0.15 -0.22 -0.03 0.00 0.77 0.00 0.00 66.41 67.09 1py6 h THR 157 Cb 0.50 -0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 66.82 1py6 h THR 157 CO -0.46 0.12 0.20 -1.28 0.37 0.00 0.00 175.52 174.47 1py6 h SER 158 N 0.63 0.67 1.41 4.18 0.87 -1.32 -2.84 113.55 117.15 1py6 h SER 158 Ca 0.61 -0.16 -0.03 0.00 -1.23 0.00 0.00 61.79 60.97 1py6 h SER 158 Cb 1.12 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 62.90 1py6 h SER 158 CO -0.41 0.65 -0.15 0.50 -0.53 0.00 0.00 176.83 176.90 1py6 h LYS 159 N 0.65 0.00 0.00 2.24 3.64 -0.39 -2.44 116.57 120.27 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 0.18 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 1py6 h LYS 159 CO -0.01 0.15 0.00 0.00 -2.27 0.00 0.00 179.45 177.31 1py6 n ALA 160 N -2.15 1.96 1.33 5.00 0.00 0.54 -1.86 120.51 125.32 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 -1.30 0.61 0.00 0.00 0.00 0.00 19.45 19.25 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 -1.34 0.50 0.00 0.00 -0.58 -0.92 -2.49 120.64 115.81 1py6 n GLU 161 Ca 0.08 -0.14 0.12 0.00 -0.42 0.00 0.00 57.16 56.79 1py6 n GLU 161 Cb 0.17 -1.50 0.13 0.00 -0.57 0.00 0.00 31.44 29.67 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 -1.13 2.33 -4.95 1.62 3.41 -0.78 -4.93 113.62 109.21 1py6 n SER 162 Ca 0.13 -1.68 -0.20 0.00 -0.26 0.00 0.00 58.87 56.85 1py6 n SER 162 Cb 0.28 0.18 0.04 0.00 -0.26 0.00 0.00 64.21 64.46 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 -2.21 2.45 0.51 4.33 -1.94 -1.04 -5.08 119.30 116.32 1py6 s MET 163 Ca 0.25 -1.12 -0.19 0.00 -1.71 0.00 0.00 55.69 52.92 1py6 s MET 163 Cb 0.19 -2.57 -0.07 0.00 2.01 0.00 0.00 34.83 34.39 1py6 s MET 163 CO 0.42 -0.72 1.04 1.03 -0.01 0.00 0.00 175.02 176.78 1py6 s ARG 164 N -4.68 3.70 0.36 2.03 1.81 -1.26 -4.72 118.95 116.18 1py6 s ARG 164 Ca 0.59 1.32 0.14 0.00 -1.72 0.00 0.00 55.73 56.06 1py6 s ARG 164 Cb -0.09 -2.08 0.98 0.00 -0.45 0.00 0.00 34.95 33.32 1py6 s ARG 164 CO 0.38 -0.51 1.75 -1.00 -0.68 0.00 0.00 175.30 175.23 1py6 h PRO 165 N 1.31 0.48 -0.82 3.54 0.13 -1.97 0.37 132.00 135.04 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 -0.11 -0.05 0.00 0.13 0.00 0.00 31.00 32.19 1py6 h PRO 165 CO 0.59 0.32 0.53 1.49 -0.23 0.00 0.00 178.00 180.70 1py6 h GLU 166 N 0.50 1.00 0.03 0.86 4.57 -1.98 0.87 114.58 120.44 1py6 h GLU 166 Ca 0.62 -0.06 -0.27 0.00 -1.18 0.00 0.00 59.36 58.47 1py6 h GLU 166 Cb 1.35 -0.23 0.02 0.00 -0.16 0.00 0.00 28.75 29.74 1py6 h GLU 166 CO -0.39 0.66 -1.08 0.28 -1.18 0.00 0.00 179.01 177.31 1py6 h VAL 167 N 1.03 1.31 -0.52 0.32 2.07 -0.84 -2.30 116.25 117.33 1py6 h VAL 167 Ca 0.32 -2.36 -0.11 0.00 0.82 0.00 0.00 66.70 65.38 1py6 h VAL 167 Cb -0.01 2.48 -0.02 0.00 -1.52 0.00 0.00 31.29 32.22 1py6 h VAL 167 CO -0.11 0.72 -0.09 0.00 0.02 0.00 0.00 177.57 178.11 1py6 h ALA 168 N 0.45 0.71 -0.25 1.67 0.00 -0.06 -1.78 119.26 120.00 1py6 h ALA 168 Ca -0.13 -0.34 -0.11 0.00 0.00 0.00 0.00 54.91 54.33 1py6 h ALA 168 Cb 1.74 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.33 1py6 h ALA 168 CO 0.21 0.60 -0.32 0.66 0.00 0.00 0.00 179.25 180.40 1py6 h SER 169 N 0.84 0.53 -0.37 0.00 4.64 0.72 -1.60 113.55 118.31 1py6 h SER 169 Ca 0.14 -0.21 -0.13 0.00 -0.47 0.00 0.00 61.79 61.12 1py6 h SER 169 Cb 0.65 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.58 1py6 h SER 169 CO 0.04 0.82 -0.28 0.74 -0.87 0.00 0.00 176.83 177.29 1py6 h THR 170 N 0.44 1.28 -0.57 2.95 2.02 -1.30 -2.97 112.91 114.77 1py6 h THR 170 Ca 0.05 -1.44 -0.03 0.00 0.77 0.00 0.00 66.41 65.76 1py6 h THR 170 Cb 0.78 1.39 -0.03 0.00 -1.74 0.00 0.00 68.15 68.55 1py6 h THR 170 CO 0.06 0.48 0.23 0.15 0.37 0.00 0.00 175.52 176.81 1py6 h PHE 171 N 0.64 0.86 -0.38 3.16 3.57 -1.19 -2.10 116.94 121.49 1py6 h PHE 171 Ca 0.07 -0.06 0.07 0.00 3.53 0.00 0.00 57.97 61.57 1py6 h PHE 171 Cb 0.85 -0.26 -0.06 0.00 2.79 0.00 0.00 35.95 39.28 1py6 h PHE 171 CO 0.06 0.70 0.03 1.57 -2.23 0.00 0.00 178.31 178.44 1py6 h LYS 172 N 0.78 0.13 -0.07 1.11 2.10 -1.23 0.78 116.57 120.18 1py6 h LYS 172 Ca 0.19 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.83 1py6 h LYS 172 Cb 0.20 -0.03 -0.00 0.00 -0.90 0.00 0.00 32.23 31.49 1py6 h LYS 172 CO -0.02 0.09 0.05 0.28 -2.00 0.00 0.00 179.45 177.85 1py6 h VAL 173 N 0.14 1.02 -0.62 0.07 2.07 -1.37 0.32 116.25 117.88 1py6 h VAL 173 Ca 0.19 -0.04 -0.07 0.00 0.82 0.00 0.00 66.70 67.60 1py6 h VAL 173 Cb 0.25 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 1py6 h VAL 173 CO -0.29 0.02 0.11 -0.07 0.02 0.00 0.00 177.57 177.36 1py6 h LEU 174 N 0.09 0.98 -0.27 2.57 3.38 -0.90 0.83 115.31 122.00 1py6 h LEU 174 Ca 0.03 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 1py6 h LEU 174 Cb -0.01 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 1py6 h LEU 174 CO -0.01 0.99 0.15 -0.09 0.09 0.00 0.00 178.44 179.57 1py6 h ARG 175 N 0.93 0.37 -0.21 1.13 2.43 0.81 -0.99 114.38 118.86 1py6 h ARG 175 Ca 0.19 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.31 1py6 h ARG 175 Cb 0.42 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 1py6 h ARG 175 CO 0.01 0.33 0.11 -0.91 -1.51 0.00 0.00 179.97 178.00 1py6 h ASN 176 N 0.32 0.26 -0.96 -3.80 -0.26 -0.05 0.29 115.58 111.39 1py6 h ASN 176 Ca 0.09 -0.09 0.04 0.00 -0.56 0.00 0.00 56.30 55.78 1py6 h ASN 176 Cb 0.06 -0.07 -0.06 0.00 -1.06 0.00 0.00 38.32 37.20 1py6 h ASN 176 CO -0.02 0.28 0.62 0.58 -1.06 0.00 0.00 177.43 177.84 1py6 h VAL 177 N 0.23 1.16 -0.07 2.81 2.07 -0.72 -1.99 116.25 119.74 1py6 h VAL 177 Ca 0.07 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 1py6 h VAL 177 Cb 0.08 -0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 29.70 1py6 h VAL 177 CO -0.01 0.22 0.02 0.74 0.02 0.00 0.00 177.57 178.56 1py6 h THR 178 N 1.20 1.19 -0.39 2.57 2.02 -0.80 -0.49 112.91 118.22 1py6 h THR 178 Ca 0.38 -0.57 0.03 0.00 0.77 0.00 0.00 66.41 67.02 1py6 h THR 178 Cb 0.01 1.44 -0.03 0.00 -1.74 0.00 0.00 68.15 67.82 1py6 h THR 178 CO -0.12 0.16 0.20 0.58 0.37 0.00 0.00 175.52 176.71 1py6 h VAL 179 N -0.10 0.99 -0.12 3.16 2.07 -0.70 0.98 116.25 122.52 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 0.24 0.54 -0.00 0.00 -1.52 0.00 0.00 31.29 30.54 1py6 h VAL 179 CO 0.00 0.07 0.00 0.58 0.02 0.00 0.00 177.57 178.25 1py6 h VAL 180 N 0.41 1.25 -0.07 2.57 2.07 -1.31 -2.13 116.25 119.03 1py6 h VAL 180 Ca 0.17 -0.79 -0.01 0.00 0.82 0.00 0.00 66.70 66.88 1py6 h VAL 180 Cb 0.06 1.53 -0.00 0.00 -1.52 0.00 0.00 31.29 31.37 1py6 h VAL 180 CO -0.11 0.23 -0.01 -0.07 0.02 0.00 0.00 177.57 177.63 1py6 h LEU 181 N -0.05 0.13 -0.82 2.57 3.38 -0.95 -3.17 115.31 116.40 1py6 h LEU 181 Ca 0.03 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 57.64 1py6 h LEU 181 Cb 0.35 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 1py6 h LEU 181 CO 0.01 0.46 0.49 -0.50 0.09 0.00 0.00 178.44 178.98 1py6 h TRP 182 N -0.19 1.09 -0.40 1.13 4.06 -0.89 -1.91 115.95 118.83 1py6 h TRP 182 Ca 0.02 -0.01 0.12 0.00 2.06 0.00 0.00 58.89 61.08 1py6 h TRP 182 Cb 0.40 -0.36 -0.02 0.00 -1.00 0.00 0.00 29.16 28.18 1py6 h TRP 182 CO 0.05 0.73 0.30 0.77 -3.56 0.00 0.00 178.44 176.73 1py6 h SER 183 N 1.13 0.00 0.58 -3.49 0.02 -1.40 -2.25 113.55 108.14 1py6 h SER 183 Ca 0.29 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 61.10 1py6 h SER 183 Cb -0.03 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.49 1py6 h SER 183 CO -0.05 0.00 -0.64 0.00 -1.14 0.00 0.00 176.83 174.99 1py6 h ALA 184 N 1.78 0.91 -0.51 3.77 0.00 -1.32 -3.35 119.26 120.54 1py6 h ALA 184 Ca 0.19 -0.58 0.05 0.00 0.00 0.00 0.00 54.91 54.57 1py6 h ALA 184 Cb 0.78 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.43 1py6 h ALA 184 CO -0.00 0.79 0.24 1.88 0.00 0.00 0.00 179.25 182.16 1py6 h TYR 185 N 0.04 0.44 -0.25 0.00 -1.99 -1.42 -1.77 116.97 112.03 1py6 h TYR 185 Ca -0.01 0.02 -0.04 0.00 2.00 0.00 0.00 58.73 60.70 1py6 h TYR 185 Cb 1.14 -0.13 -0.01 0.00 2.00 0.00 0.00 36.73 39.74 1py6 h TYR 185 CO 0.01 0.21 -0.02 -1.00 -0.00 0.00 0.00 178.16 177.35 1py6 h PRO 186 N 0.47 0.37 -0.27 4.88 0.13 -1.74 -1.33 132.00 134.51 1py6 h PRO 186 Ca 0.23 -0.07 -0.12 0.00 -0.87 0.00 0.00 66.00 65.17 1py6 h PRO 186 Cb 0.16 -0.06 -0.00 0.00 0.13 0.00 0.00 31.00 31.23 1py6 h PRO 186 CO -0.17 0.41 -0.28 0.28 -0.23 0.00 0.00 178.00 178.01 1py6 h VAL 187 N 0.36 1.31 -0.67 1.56 2.07 -1.65 -0.77 116.25 118.45 1py6 h VAL 187 Ca 0.08 -1.46 0.00 0.00 0.82 0.00 0.00 66.70 66.14 1py6 h VAL 187 Cb 0.27 1.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.65 1py6 h VAL 187 CO 0.01 0.46 0.42 0.58 0.02 0.00 0.00 177.57 179.06 1py6 h VAL 188 N 0.39 1.19 -0.27 2.57 2.07 -0.93 -2.07 116.25 119.20 1py6 h VAL 188 Ca 0.04 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 1py6 h VAL 188 Cb 0.85 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 1py6 h VAL 188 CO 0.07 0.19 0.13 -0.25 0.02 0.00 0.00 177.57 177.73 1py6 h TRP 189 N 0.91 0.38 -0.68 1.57 7.01 -1.19 0.00 115.95 123.97 1py6 h TRP 189 Ca 0.24 -0.02 0.02 0.00 2.11 0.00 0.00 58.89 61.24 1py6 h TRP 189 Cb -0.06 -0.12 -0.04 0.00 -2.10 0.00 0.00 29.16 26.85 1py6 h TRP 189 CO -0.02 0.35 0.44 1.25 -2.79 0.00 0.00 178.44 177.67 1py6 h LEU 190 N 0.30 0.73 -0.94 0.65 5.85 -0.78 -2.20 115.31 118.92 1py6 h LEU 190 Ca 0.09 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1py6 h LEU 190 Cb 0.11 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 40.97 1py6 h LEU 190 CO -0.01 0.52 -0.31 2.30 -0.34 0.00 0.00 178.44 180.60 1py6 n ILE 191 N -4.65 0.00 -1.33 4.05 -5.35 -0.81 0.29 119.36 111.56 1py6 n ILE 191 Ca 0.06 -0.24 0.00 0.00 -0.27 0.00 0.00 62.75 62.30 1py6 n ILE 191 Cb 0.05 0.94 0.00 0.00 -1.74 0.00 0.00 39.64 38.89 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 1.36 1.53 0.29 3.28 0.00 -0.02 -0.07 105.19 111.57 1py6 n GLY 192 Ca 0.12 -1.91 0.07 0.00 0.00 0.00 0.00 46.02 44.29 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 0.22 1.68 1.61 0.02 -1.81 0.36 113.55 115.63 1py6 h SER 193 Ca 0.00 -0.00 -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 62.48 1py6 h SER 193 CO 0.00 0.16 -0.26 -0.33 -1.14 0.00 0.00 176.83 175.26 1py6 h GLU 194 N 0.25 0.00 0.00 3.45 3.07 -1.89 -3.43 114.58 116.03 1py6 h GLU 194 Ca 0.08 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.94 1py6 h GLU 194 Cb 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.92 1py6 h GLU 194 CO -0.02 0.26 0.00 0.41 -1.40 0.00 0.00 179.01 178.26 1py6 n GLY 195 N 1.09 1.26 0.23 -3.84 0.00 -0.84 -4.92 105.19 98.18 1py6 n GLY 195 Ca 0.03 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.06 1.00 -3.43 4.61 0.00 -0.21 -3.46 119.26 117.71 1py6 h ALA 196 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.57 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 -0.48 0.41 0.00 0.00 0.00 179.25 179.18 1py6 n GLY 197 N -1.12 -0.31 0.08 0.00 0.00 0.12 -4.92 105.19 99.04 1py6 n GLY 197 Ca -0.02 -0.07 -0.15 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.88 1.07 -3.33 -0.61 2.04 -1.21 -3.45 117.51 111.14 1py6 h ILE 198 Ca -0.43 -2.02 -0.58 0.00 1.00 0.00 0.00 64.86 62.83 1py6 h ILE 198 Cb 1.30 2.24 -0.07 0.00 -0.74 0.00 0.00 36.82 39.55 1py6 h ILE 198 CO 0.47 0.36 0.31 -0.69 0.00 0.00 0.00 178.15 178.61 1py6 s VAL 199 N -2.23 4.92 0.78 1.67 1.01 0.91 -5.01 120.40 122.45 1py6 s VAL 199 Ca -0.21 1.54 -0.14 0.00 0.00 0.00 0.00 61.98 63.17 1py6 s VAL 199 Cb 0.02 -4.10 0.07 0.00 0.00 0.00 0.00 36.38 32.37 1py6 s VAL 199 CO 0.54 0.06 1.19 -2.16 0.00 0.00 0.00 175.10 174.74 1py6 s PRO 200 N 1.96 1.87 0.23 2.72 0.04 -1.26 -3.86 135.00 136.70 1py6 s PRO 200 Ca 0.37 1.70 -0.06 0.00 0.04 0.00 0.00 61.00 63.05 1py6 s PRO 200 Cb -0.17 -1.81 0.37 0.00 0.04 0.00 0.00 34.50 32.93 1py6 s PRO 200 CO 0.13 -2.03 1.78 1.25 0.04 0.00 0.00 177.00 178.17 1py6 h LEU 201 N -0.70 0.47 -0.46 -3.56 5.85 -1.97 0.30 115.31 115.24 1py6 h LEU 201 Ca -0.46 0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.35 1py6 h LEU 201 Cb 1.29 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 42.27 1py6 h LEU 201 CO 0.48 0.26 0.26 -0.55 -0.34 0.00 0.00 178.44 178.54 1py6 h ASN 202 N 0.61 0.40 -0.34 1.25 -1.07 -1.92 0.56 115.58 115.07 1py6 h ASN 202 Ca 0.37 0.01 -0.14 0.00 0.07 0.00 0.00 56.30 56.61 1py6 h ASN 202 Cb 0.41 -0.07 -0.01 0.00 -2.07 0.00 0.00 38.32 36.59 1py6 h ASN 202 CO -0.29 0.29 -0.32 0.40 0.07 0.00 0.00 177.43 177.58 1py6 h ILE 203 N 0.51 1.29 -0.93 6.14 2.04 -1.80 -2.55 117.51 122.20 1py6 h ILE 203 Ca 0.19 -1.48 0.03 0.00 1.00 0.00 0.00 64.86 64.59 1py6 h ILE 203 Cb 0.05 1.46 -0.05 0.00 -0.74 0.00 0.00 36.82 37.54 1py6 h ILE 203 CO -0.10 0.49 0.61 -0.08 0.00 0.00 0.00 178.15 179.07 1py6 h GLU 204 N 0.60 1.16 -0.51 2.37 4.81 0.17 -1.26 114.58 121.91 1py6 h GLU 204 Ca 0.06 -0.07 -0.09 0.00 -0.13 0.00 0.00 59.36 59.13 1py6 h GLU 204 Cb 0.90 -0.26 -0.02 0.00 0.63 0.00 0.00 28.75 30.00 1py6 h GLU 204 CO 0.08 0.77 -0.04 1.15 -0.73 0.00 0.00 179.01 180.23 1py6 h THR 205 N 1.19 1.26 -0.43 0.32 2.02 0.23 -1.73 112.91 115.77 1py6 h THR 205 Ca 0.36 -1.13 0.00 0.00 0.77 0.00 0.00 66.41 66.41 1py6 h THR 205 Cb -0.03 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 67.27 1py6 h THR 205 CO -0.10 0.40 0.27 0.25 0.37 0.00 0.00 175.52 176.71 1py6 h LEU 206 N 0.82 0.51 -0.26 2.58 5.85 -0.90 -0.47 115.31 123.44 1py6 h LEU 206 Ca 0.15 -0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 1py6 h LEU 206 Cb 0.55 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 1py6 h LEU 206 CO 0.03 0.40 0.07 -0.07 -0.34 0.00 0.00 178.44 178.53 1py6 h LEU 207 N 0.58 0.40 -0.95 2.25 3.38 -1.07 -2.19 115.31 117.71 1py6 h LEU 207 Ca 0.16 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 1py6 h LEU 207 Cb -0.03 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 1py6 h LEU 207 CO -0.03 0.52 0.27 -0.26 0.09 0.00 0.00 178.44 179.03 1py6 h PHE 208 N 0.26 1.05 -0.32 1.13 0.04 -1.14 -1.77 116.94 116.18 1py6 h PHE 208 Ca 0.08 -0.07 -0.10 0.00 2.80 0.00 0.00 57.97 60.69 1py6 h PHE 208 Cb 0.28 -0.32 -0.02 0.00 2.20 0.00 0.00 35.95 38.10 1py6 h PHE 208 CO 0.01 0.80 -0.20 0.00 -0.60 0.00 0.00 178.31 178.32 1py6 h MET 209 N 1.01 0.60 -0.47 1.51 -0.00 -0.96 0.19 114.93 116.82 1py6 h MET 209 Ca 0.23 -0.22 -0.11 0.00 -0.00 0.00 0.00 59.70 59.61 1py6 h MET 209 Cb 0.20 -0.04 -0.01 0.00 -0.00 0.00 0.00 31.60 31.75 1py6 h MET 209 CO -0.02 0.76 -0.14 0.28 -0.00 0.00 0.00 176.91 177.80 1py6 h VAL 210 N 0.53 1.27 -0.15 -0.10 2.07 -1.10 -0.17 116.25 118.62 1py6 h VAL 210 Ca 0.08 -1.28 -0.08 0.00 0.82 0.00 0.00 66.70 66.24 1py6 h VAL 210 Cb 0.64 1.13 -0.00 0.00 -1.52 0.00 0.00 31.29 31.54 1py6 h VAL 210 CO 0.05 0.44 -0.24 -0.07 0.02 0.00 0.00 177.57 177.77 1py6 h LEU 211 N 0.76 0.46 -0.17 2.57 3.38 -1.12 -1.94 115.31 119.25 1py6 h LEU 211 Ca 0.11 -0.53 -0.00 0.00 0.09 0.00 0.00 57.88 57.55 1py6 h LEU 211 Cb 0.70 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 1py6 h LEU 211 CO 0.05 0.91 0.09 0.44 0.09 0.00 0.00 178.44 180.02 1py6 h ASP 212 N 0.03 0.21 -0.49 -0.43 3.32 -0.57 0.18 116.42 118.67 1py6 h ASP 212 Ca 0.01 -0.10 -0.02 0.00 0.02 0.00 0.00 57.03 56.94 1py6 h ASP 212 Cb 0.82 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.29 1py6 h ASP 212 CO 0.05 0.25 0.23 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 -1.10 -1.58 116.25 115.10 1py6 h VAL 213 Ca 0.06 -0.57 -0.05 0.00 0.82 0.00 0.00 66.70 66.95 1py6 h VAL 213 Cb 0.09 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 1py6 h VAL 213 CO -0.01 0.22 0.13 0.28 0.02 0.00 0.00 177.57 178.21 1py6 h SER 214 N 0.66 0.83 1.11 0.57 0.02 -1.20 0.12 113.55 115.66 1py6 h SER 214 Ca 0.17 -0.24 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 1py6 h SER 214 Cb 0.14 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.46 1py6 h SER 214 CO -0.02 0.85 0.00 0.00 -1.14 0.00 0.00 176.83 176.52 1py6 h ALA 215 N 1.01 1.00 0.00 3.77 0.00 -0.46 -1.74 119.26 122.84 1py6 h ALA 215 Ca 0.17 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1py6 h ALA 215 Cb 0.35 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1py6 h ALA 215 CO 0.00 0.00 -0.40 1.63 0.00 0.00 0.00 179.25 180.48 1py6 n LYS 216 N -2.55 0.19 0.08 0.00 5.02 -0.61 -4.28 118.16 116.01 1py6 n LYS 216 Ca 0.03 0.08 -0.19 0.00 -2.02 0.00 0.00 58.31 56.20 1py6 n LYS 216 Cb 0.33 -0.83 -0.10 0.00 -0.02 0.00 0.00 35.03 34.40 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 -0.35 1.33 0.35 -0.18 2.07 -1.20 0.23 116.25 118.49 1py6 h VAL 217 Ca -0.01 -2.46 -0.02 0.00 0.82 0.00 0.00 66.70 65.03 1py6 h VAL 217 Cb 0.39 2.58 0.00 0.00 -1.52 0.00 0.00 31.29 32.74 1py6 h VAL 217 CO -0.01 0.75 -0.17 1.23 0.02 0.00 0.00 177.57 179.39 1py6 h GLY 218 N 0.67 -0.50 0.55 2.17 0.00 -0.92 -0.51 103.07 104.54 1py6 h GLY 218 Ca -0.14 0.18 0.06 0.00 0.00 0.00 0.00 47.33 47.43 1py6 h GLY 218 CO 0.21 -0.18 0.10 -2.75 0.00 0.00 0.00 176.54 173.92 1py6 h PHE 219 N -0.55 0.18 -0.49 5.60 3.04 -1.39 -2.67 116.94 120.66 1py6 h PHE 219 Ca -0.05 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 61.91 1py6 h PHE 219 Cb 0.41 -0.02 -0.02 0.00 2.56 0.00 0.00 35.95 38.88 1py6 h PHE 219 CO -0.03 0.04 0.25 0.78 -2.02 0.00 0.00 178.31 177.34 1py6 h GLY 220 N 0.24 0.74 0.69 2.40 0.00 -0.79 -1.19 103.07 105.16 1py6 h GLY 220 Ca 0.19 -0.35 0.06 0.00 0.00 0.00 0.00 47.33 47.23 1py6 h GLY 220 CO -0.23 0.33 0.38 1.41 0.00 0.00 0.00 176.54 178.43 1py6 h LEU 221 N 0.65 0.56 0.04 3.11 3.38 -0.89 0.21 115.31 122.37 1py6 h LEU 221 Ca 0.17 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.17 1py6 h LEU 221 Cb 0.08 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1py6 h LEU 221 CO -0.03 0.36 -0.02 0.40 0.09 0.00 0.00 178.44 179.25 1py6 h ILE 222 N 0.69 1.14 -0.29 1.22 2.04 -1.31 -2.77 117.51 118.23 1py6 h ILE 222 Ca 0.30 -0.58 -0.05 0.00 1.00 0.00 0.00 64.86 65.53 1py6 h ILE 222 Cb 0.18 1.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 1py6 h ILE 222 CO -0.18 0.15 -0.02 0.25 0.00 0.00 0.00 178.15 178.34 1py6 h LEU 223 N -0.31 0.53 -0.61 1.44 5.85 -0.88 -3.24 115.31 118.09 1py6 h LEU 223 Ca -0.01 -0.33 0.00 0.00 0.84 0.00 0.00 57.88 58.38 1py6 h LEU 223 Cb 0.28 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.17 1py6 h LEU 223 CO 0.01 0.73 0.00 -0.07 -0.34 0.00 0.00 178.44 178.77 1py6 h LEU 224 N 0.31 0.00 -1.21 2.25 3.38 -0.67 -2.88 115.31 116.49 1py6 h LEU 224 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1py6 h LEU 224 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1py6 h LEU 224 CO 0.02 0.00 -0.06 -2.11 0.09 0.00 0.00 178.44 176.38 1py6 n ARG 225 N -2.70 1.75 -3.42 1.13 1.85 -1.05 -4.92 116.66 109.30 1py6 n ARG 225 Ca 0.03 -1.21 -0.29 0.00 -1.00 0.00 0.00 57.85 55.38 1py6 n ARG 225 Cb 0.37 -1.47 -0.03 0.00 -1.05 0.00 0.00 32.46 30.27 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 -2.08 6.45 0.00 2.89 1.04 -1.09 -4.98 113.70 115.93 1py6 s SER 226 Ca 0.32 0.67 0.29 0.00 0.48 0.00 0.00 55.95 57.72 1py6 s SER 226 Cb 0.20 -2.12 1.34 0.00 0.10 0.00 0.00 66.02 65.54 1py6 s SER 226 CO 0.36 -0.14 1.91 -2.11 0.98 0.00 0.00 173.24 174.24 1py6 n ARG 227 N -0.75 1.04 0.17 4.02 0.00 -1.26 -3.82 116.66 116.05 1py6 n ARG 227 Ca -0.02 -0.38 0.13 0.00 -0.00 0.00 0.00 57.85 57.58 1py6 n ARG 227 Cb 0.54 -1.49 0.56 0.00 -0.00 0.00 0.00 32.46 32.07 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 3.91 1.00 -0.00 2.89 0.00 -1.88 -2.88 119.26 122.30 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 0.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1py6 h ALA 228 CO 0.00 0.00 -0.06 0.44 0.00 0.00 0.00 179.25 179.63 1py6 n ILE 229 N -2.45 0.00 -3.08 0.00 -5.35 -1.25 -4.87 119.36 102.36 1py6 n ILE 229 Ca 0.01 -0.04 -0.39 0.00 -0.27 0.00 0.00 62.75 62.07 1py6 n ILE 229 Cb 0.23 -0.27 -0.06 0.00 -1.74 0.00 0.00 39.64 37.80 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 -2.45 3.82 -1.45 4.28 0.40 -1.09 -1.86 117.98 119.62 1py6 s PHE 230 Ca 0.31 1.46 0.00 0.00 -0.60 0.00 0.00 56.93 58.09 1py6 s PHE 230 Cb 0.20 -2.69 0.00 0.00 0.51 0.00 0.00 43.02 41.04 1py6 s PHE 230 CO 0.46 0.46 0.36 0.41 0.70 0.00 0.00 175.22 177.61