#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aq6 s ILE 2 N 0.00 3.97 -0.06 2.02 -1.09 -1.26 -4.29 121.20 120.50 1aq6 s ILE 2 Ca 0.00 1.06 0.15 0.00 -2.23 0.00 0.00 60.65 59.63 1aq6 s ILE 2 Cb 0.00 -4.09 -0.22 0.00 -1.58 0.00 0.00 42.46 36.57 1aq6 s ILE 2 CO 0.00 -0.54 0.26 0.29 -1.23 0.00 0.00 174.94 173.71 1aq6 n LYS 3 N 7.66 0.81 -3.88 2.79 5.02 0.60 -4.99 118.16 126.18 1aq6 n LYS 3 Ca 0.16 -0.10 -0.11 0.00 -2.02 0.00 0.00 58.31 56.24 1aq6 n LYS 3 Cb 0.47 -1.37 -0.11 0.00 -0.02 0.00 0.00 35.03 33.99 1aq6 n LYS 3 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1aq6 s ALA 4 N -2.87 -0.23 -0.23 7.82 0.00 -0.77 -1.38 121.76 124.11 1aq6 s ALA 4 Ca -0.06 -0.04 -0.02 0.00 0.00 0.00 0.00 51.96 51.83 1aq6 s ALA 4 Cb 0.08 0.00 0.01 0.00 0.00 0.00 0.00 23.12 23.22 1aq6 s ALA 4 CO 0.63 -0.14 -0.07 0.08 0.00 0.00 0.00 175.76 176.27 1aq6 s VAL 5 N -0.85 2.97 -0.17 0.00 1.01 0.13 0.06 120.40 123.55 1aq6 s VAL 5 Ca -0.09 -0.83 -0.01 0.00 0.00 0.00 0.00 61.98 61.04 1aq6 s VAL 5 Cb -0.05 -2.43 -0.00 0.00 0.00 0.00 0.00 36.38 33.89 1aq6 s VAL 5 CO 0.01 0.31 -0.12 -0.69 0.00 0.00 0.00 175.10 174.61 1aq6 s VAL 6 N 1.38 2.92 -0.09 2.92 1.01 0.33 -1.91 120.40 126.95 1aq6 s VAL 6 Ca 0.03 -0.67 -0.02 0.00 0.00 0.00 0.00 61.98 61.32 1aq6 s VAL 6 Cb -0.15 -2.27 -0.03 0.00 0.00 0.00 0.00 36.38 33.93 1aq6 s VAL 6 CO -0.05 0.49 -0.00 -0.36 0.00 0.00 0.00 175.10 175.18 1aq6 s PHE 7 N 0.99 3.13 0.71 5.22 0.40 0.11 0.20 117.98 128.73 1aq6 s PHE 7 Ca -0.01 0.13 -0.13 0.00 -0.60 0.00 0.00 56.93 56.31 1aq6 s PHE 7 Cb -0.15 -1.81 0.02 0.00 0.51 0.00 0.00 43.02 41.60 1aq6 s PHE 7 CO -0.02 0.40 1.11 0.34 0.70 0.00 0.00 175.22 177.75 1aq6 s ASP 8 N -0.71 4.81 0.00 1.36 2.15 -0.11 -1.11 116.67 123.05 1aq6 s ASP 8 Ca 0.11 1.96 0.00 0.00 0.43 0.00 0.00 52.55 55.05 1aq6 s ASP 8 Cb -0.12 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 39.96 1aq6 s ASP 8 CO 0.02 -1.83 0.00 0.00 -0.17 0.00 0.00 175.17 173.19 1aq6 n ALA 9 N -2.85 0.55 -1.84 3.66 0.00 -1.26 -3.78 120.51 115.00 1aq6 n ALA 9 Ca 0.10 -0.20 -0.42 0.00 0.00 0.00 0.00 53.44 52.92 1aq6 n ALA 9 Cb 0.52 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.94 1aq6 n ALA 9 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1aq6 s TYR 10 N -0.97 1.60 0.00 0.00 2.02 -1.26 -1.47 117.35 117.27 1aq6 s TYR 10 Ca 0.00 0.08 0.00 0.00 -0.37 0.00 0.00 57.07 56.78 1aq6 s TYR 10 Cb 0.00 -4.06 0.00 0.00 -0.40 0.00 0.00 41.96 37.50 1aq6 s TYR 10 CO 0.00 -4.35 0.00 0.41 -1.57 0.00 0.00 175.55 170.04 1aq6 n GLY 11 N 4.67 2.44 0.47 0.71 0.00 0.95 -4.83 105.19 109.60 1aq6 n GLY 11 Ca 0.21 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.16 1aq6 n GLY 11 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1aq6 n THR 12 N -2.00 1.35 -0.01 2.61 -1.04 -0.77 -4.63 114.28 109.78 1aq6 n THR 12 Ca 0.00 0.20 -0.07 0.00 -2.04 0.00 0.00 64.05 62.13 1aq6 n THR 12 Cb 0.00 -2.02 -0.13 0.00 -1.82 0.00 0.00 70.33 66.36 1aq6 n THR 12 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1aq6 n LEU 13 N -4.05 0.87 -4.24 -4.42 4.77 -0.54 -4.83 117.00 104.56 1aq6 n LEU 13 Ca -0.11 0.41 -0.29 0.00 -0.03 0.00 0.00 56.01 55.99 1aq6 n LEU 13 Cb 0.36 0.16 -0.16 0.00 -2.33 0.00 0.00 43.42 41.45 1aq6 n LEU 13 CO 0.12 0.35 -0.54 -0.36 -1.33 0.00 0.00 177.39 175.63 1aq6 s PHE 14 N -2.64 2.09 -0.41 -1.77 0.40 -0.97 -1.32 117.98 113.35 1aq6 s PHE 14 Ca -0.04 -0.48 -0.28 0.00 -0.60 0.00 0.00 56.93 55.53 1aq6 s PHE 14 Cb 0.08 -1.36 0.02 0.00 0.51 0.00 0.00 43.02 42.28 1aq6 s PHE 14 CO 0.82 -0.10 1.04 0.34 0.70 0.00 0.00 175.22 178.03 1aq6 s ASP 15 N -0.37 6.71 0.21 1.36 -1.08 -0.18 -0.03 116.67 123.28 1aq6 s ASP 15 Ca 0.04 0.61 0.23 0.00 -0.52 0.00 0.00 52.55 52.91 1aq6 s ASP 15 Cb -0.10 -2.51 0.91 0.00 -1.46 0.00 0.00 42.92 39.76 1aq6 s ASP 15 CO 0.01 -1.03 1.71 1.33 0.52 0.00 0.00 175.17 177.71 1aq6 n VAL 16 N 6.32 0.75 0.71 1.11 0.24 -1.26 -2.24 118.33 123.95 1aq6 n VAL 16 Ca 0.10 0.10 0.13 0.00 -2.04 0.00 0.00 64.34 62.63 1aq6 n VAL 16 Cb 0.48 -0.98 0.47 0.00 -1.47 0.00 0.00 33.84 32.34 1aq6 n VAL 16 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1aq6 n GLN 17 N -2.13 0.17 0.00 7.34 1.13 -1.26 -3.85 117.38 118.79 1aq6 n GLN 17 Ca 0.03 0.17 0.08 0.00 -1.94 0.00 0.00 57.00 55.34 1aq6 n GLN 17 Cb 0.27 -1.71 0.43 0.00 0.11 0.00 0.00 30.24 29.35 1aq6 n GLN 17 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 1aq6 n SER 18 N -2.01 0.00 -0.13 1.08 3.41 -0.95 -1.70 113.62 113.32 1aq6 n SER 18 Ca 0.06 -0.32 0.15 0.00 -0.26 0.00 0.00 58.87 58.50 1aq6 n SER 18 Cb 0.38 -0.09 0.73 0.00 -0.26 0.00 0.00 64.21 64.97 1aq6 n SER 18 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1aq6 n VAL 19 N -1.09 0.00 -0.19 -3.33 0.24 -1.25 -4.40 118.33 108.31 1aq6 n VAL 19 Ca 0.10 -0.07 -0.00 0.00 -2.04 0.00 0.00 64.34 62.33 1aq6 n VAL 19 Cb 0.07 -0.17 0.08 0.00 -1.47 0.00 0.00 33.84 32.36 1aq6 n VAL 19 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1aq6 h ALA 20 N 3.86 0.54 -0.76 2.33 0.00 -1.63 -1.27 119.26 122.32 1aq6 h ALA 20 Ca 0.00 0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1aq6 h ALA 20 Cb 0.25 0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 1aq6 h ALA 20 CO 0.00 -0.40 0.41 -0.44 0.00 0.00 0.00 179.25 178.83 1aq6 h ASP 21 N 0.10 0.96 0.16 0.00 3.32 -1.86 -1.71 116.42 117.39 1aq6 h ASP 21 Ca 0.30 -0.10 -0.11 0.00 0.02 0.00 0.00 57.03 57.13 1aq6 h ASP 21 Cb 0.47 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 1aq6 h ASP 21 CO -0.51 0.78 -0.41 0.00 -1.72 0.00 0.00 179.24 177.38 1aq6 h ALA 22 N 1.21 1.05 0.00 3.45 0.00 -1.71 -3.15 119.26 120.11 1aq6 h ALA 22 Ca 0.27 -0.42 -0.14 0.00 0.00 0.00 0.00 54.91 54.62 1aq6 h ALA 22 Cb 0.04 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1aq6 h ALA 22 CO -0.04 0.60 -0.68 1.79 0.00 0.00 0.00 179.25 180.92 1aq6 h THR 23 N 0.27 1.21 0.00 0.00 1.35 -1.00 -3.11 112.91 111.63 1aq6 h THR 23 Ca 0.02 -2.61 0.00 0.00 -0.55 0.00 0.00 66.41 63.27 1aq6 h THR 23 Cb 0.83 2.53 0.00 0.00 -1.73 0.00 0.00 68.15 69.79 1aq6 h THR 23 CO 0.07 0.67 0.00 1.21 -0.25 0.00 0.00 175.52 177.22 1aq6 n GLU 24 N -3.32 0.59 -0.08 4.72 4.07 -0.67 -1.58 120.64 124.37 1aq6 n GLU 24 Ca 0.01 0.00 -0.08 0.00 -0.06 0.00 0.00 57.16 57.03 1aq6 n GLU 24 Cb 0.79 -1.43 -0.13 0.00 -0.06 0.00 0.00 31.44 30.61 1aq6 n GLU 24 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 1aq6 n ARG 25 N -0.93 1.29 0.09 5.31 1.74 -1.18 -3.10 116.66 119.88 1aq6 n ARG 25 Ca 0.12 -0.01 -0.04 0.00 -0.77 0.00 0.00 57.85 57.15 1aq6 n ARG 25 Cb 0.06 -1.42 0.17 0.00 -1.02 0.00 0.00 32.46 30.24 1aq6 n ARG 25 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1aq6 h ALA 26 N 0.84 0.97 -1.44 7.54 0.00 -1.34 -3.39 119.26 122.44 1aq6 h ALA 26 Ca -0.43 -0.48 -0.22 0.00 0.00 0.00 0.00 54.91 53.78 1aq6 h ALA 26 Cb 1.97 -0.09 -0.24 0.00 0.00 0.00 0.00 17.79 19.43 1aq6 h ALA 26 CO 0.02 0.66 -0.58 -0.47 0.00 0.00 0.00 179.25 178.89 1aq6 s TYR 27 N -3.95 -1.00 0.07 0.00 6.14 -1.06 -5.09 117.35 112.46 1aq6 s TYR 27 Ca -0.04 -0.43 -0.37 0.00 0.64 0.00 0.00 57.07 56.87 1aq6 s TYR 27 Cb 0.13 -0.03 -0.16 0.00 0.42 0.00 0.00 41.96 42.31 1aq6 s TYR 27 CO 0.79 -1.09 1.38 -2.30 0.64 0.00 0.00 175.55 174.96 1aq6 n PRO 28 N 4.04 1.21 -0.63 4.97 -0.02 -1.18 0.14 135.00 143.53 1aq6 n PRO 28 Ca 0.13 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 1aq6 n PRO 28 Cb 0.52 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 31.91 1aq6 n PRO 28 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1aq6 n GLY 29 N 2.67 1.04 0.43 -1.23 0.00 -1.26 -4.83 105.19 102.01 1aq6 n GLY 29 Ca 0.19 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.23 1aq6 n GLY 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aq6 n ARG 30 N -2.00 0.31 -0.20 1.61 5.12 0.37 -4.83 116.66 117.04 1aq6 n ARG 30 Ca 0.00 -1.42 -0.07 0.00 -1.93 0.00 0.00 57.85 54.44 1aq6 n ARG 30 Cb 0.00 -0.72 0.03 0.00 -1.16 0.00 0.00 32.46 30.61 1aq6 n ARG 30 CO 0.00 0.00 0.00 0.78 -1.93 0.00 0.00 177.63 176.48 1aq6 h GLY 31 N 0.04 0.84 0.94 -0.13 0.00 -1.72 -0.76 103.07 102.27 1aq6 h GLY 31 Ca -0.01 -0.35 -0.01 0.00 0.00 0.00 0.00 47.33 46.96 1aq6 h GLY 31 CO 0.00 0.34 0.15 0.83 0.00 0.00 0.00 176.54 177.87 1aq6 h GLU 32 N 0.78 0.46 -0.16 4.80 5.08 -1.89 -1.09 114.58 122.56 1aq6 h GLU 32 Ca 0.21 -0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.51 1aq6 h GLU 32 Cb -0.01 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 1aq6 h GLU 32 CO -0.04 0.43 0.04 -0.92 -1.00 0.00 0.00 179.01 177.53 1aq6 h TYR 33 N 0.38 0.08 -0.20 4.33 3.20 -1.86 -2.70 116.97 120.21 1aq6 h TYR 33 Ca 0.11 0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.00 1aq6 h TYR 33 Cb 0.13 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.37 1aq6 h TYR 33 CO -0.02 0.04 0.11 0.82 -1.64 0.00 0.00 178.16 177.47 1aq6 h ILE 34 N 0.12 1.02 -0.62 1.81 2.04 -0.88 -1.80 117.51 119.20 1aq6 h ILE 34 Ca 0.07 -0.08 0.11 0.00 1.00 0.00 0.00 64.86 65.95 1aq6 h ILE 34 Cb 0.05 0.77 -0.08 0.00 -0.74 0.00 0.00 36.82 36.81 1aq6 h ILE 34 CO -0.08 0.04 0.20 0.74 0.00 0.00 0.00 178.15 179.05 1aq6 h THR 35 N 0.23 0.71 -0.08 -0.27 2.02 -1.13 0.28 112.91 114.67 1aq6 h THR 35 Ca 0.08 -0.12 -0.08 0.00 0.77 0.00 0.00 66.41 67.06 1aq6 h THR 35 Cb -0.00 0.32 0.00 0.00 -1.74 0.00 0.00 68.15 66.73 1aq6 h THR 35 CO -0.04 0.06 -0.25 1.56 0.37 0.00 0.00 175.52 177.23 1aq6 h GLN 36 N 0.35 0.31 -0.43 6.66 1.08 -1.12 -2.75 115.11 119.21 1aq6 h GLN 36 Ca 0.32 -0.23 -0.11 0.00 -1.45 0.00 0.00 58.65 57.19 1aq6 h GLN 36 Cb 0.44 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.90 1aq6 h GLN 36 CO -0.35 0.85 -0.17 0.28 -0.95 0.00 0.00 178.83 178.49 1aq6 h VAL 37 N -0.18 1.27 -0.22 -0.54 2.07 -1.22 -1.48 116.25 115.95 1aq6 h VAL 37 Ca -0.01 -1.27 0.00 0.00 0.82 0.00 0.00 66.70 66.24 1aq6 h VAL 37 Cb 0.88 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 1aq6 h VAL 37 CO 0.05 0.43 0.14 -0.25 0.02 0.00 0.00 177.57 177.97 1aq6 h TRP 38 N 0.72 0.28 -0.22 1.57 7.01 -0.98 0.42 115.95 124.76 1aq6 h TRP 38 Ca 0.11 0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.11 1aq6 h TRP 38 Cb 0.68 -0.10 -0.01 0.00 -2.10 0.00 0.00 29.16 27.64 1aq6 h TRP 38 CO 0.04 0.20 0.12 -0.09 -2.79 0.00 0.00 178.44 175.92 1aq6 h ARG 39 N 0.29 0.30 -0.65 2.65 9.65 -1.37 -0.47 114.38 124.78 1aq6 h ARG 39 Ca 0.08 -0.03 0.07 0.00 -1.10 0.00 0.00 59.98 58.99 1aq6 h ARG 39 Cb -0.01 -0.06 -0.06 0.00 -1.39 0.00 0.00 29.97 28.45 1aq6 h ARG 39 CO -0.02 0.28 0.34 0.37 2.80 0.00 0.00 179.97 183.74 1aq6 h GLN 40 N 0.25 0.59 -0.00 0.20 5.75 -1.08 -1.61 115.11 119.21 1aq6 h GLN 40 Ca 0.08 -0.04 -0.17 0.00 -0.15 0.00 0.00 58.65 58.37 1aq6 h GLN 40 Cb 0.06 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 28.46 1aq6 h GLN 40 CO -0.01 0.39 -0.77 0.87 -2.65 0.00 0.00 178.83 176.66 1aq6 h LYS 41 N 0.61 0.05 -0.38 1.69 1.79 -0.79 -0.43 116.57 119.11 1aq6 h LYS 41 Ca 0.30 -0.05 -0.02 0.00 -2.18 0.00 0.00 60.65 58.70 1aq6 h LYS 41 Cb 0.24 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.89 1aq6 h LYS 41 CO -0.21 0.80 0.18 0.37 -1.08 0.00 0.00 179.45 179.50 1aq6 h GLN 42 N 0.03 0.56 0.35 3.15 4.15 -0.73 0.14 115.11 122.76 1aq6 h GLN 42 Ca -0.01 -0.09 -0.02 0.00 0.77 0.00 0.00 58.65 59.30 1aq6 h GLN 42 Cb 1.36 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.96 1aq6 h GLN 42 CO 0.11 0.51 -0.17 -0.07 -1.93 0.00 0.00 178.83 177.28 1aq6 h LEU 43 N 0.48 -0.39 -0.83 -2.39 3.38 -1.17 -1.95 115.31 112.44 1aq6 h LEU 43 Ca 0.13 -0.06 0.09 0.00 0.09 0.00 0.00 57.88 58.13 1aq6 h LEU 43 Cb 0.14 0.10 -0.07 0.00 0.09 0.00 0.00 40.66 40.92 1aq6 h LEU 43 CO -0.01 -0.18 0.47 -0.33 0.09 0.00 0.00 178.44 178.48 1aq6 h GLU 44 N -0.59 0.77 -0.12 1.13 5.08 -1.01 -2.20 114.58 117.65 1aq6 h GLU 44 Ca -0.05 -0.05 -0.12 0.00 -1.00 0.00 0.00 59.36 58.15 1aq6 h GLU 44 Cb 0.43 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1aq6 h GLU 44 CO 0.08 0.51 -0.45 1.88 -1.00 0.00 0.00 179.01 180.03 1aq6 h TYR 45 N 0.80 0.33 -0.27 4.33 -1.99 -0.57 -1.05 116.97 118.55 1aq6 h TYR 45 Ca 0.40 -0.10 0.00 0.00 2.00 0.00 0.00 58.73 61.03 1aq6 h TYR 45 Cb 0.36 -0.07 -0.01 0.00 2.00 0.00 0.00 36.73 39.00 1aq6 h TYR 45 CO -0.06 0.68 0.18 0.66 -0.00 0.00 0.00 178.16 179.62 1aq6 h SER 46 N 0.23 0.31 -0.23 3.88 4.64 -0.90 0.41 113.55 121.88 1aq6 h SER 46 Ca 0.02 -0.01 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 1aq6 h SER 46 Cb 0.88 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.89 1aq6 h SER 46 CO 0.07 0.22 -0.03 -0.50 -0.87 0.00 0.00 176.83 175.72 1aq6 h TRP 47 N 0.36 0.47 -0.08 4.77 6.55 -1.15 -2.75 115.95 124.13 1aq6 h TRP 47 Ca 0.10 -0.09 -0.19 0.00 0.95 0.00 0.00 58.89 59.66 1aq6 h TRP 47 Cb -0.04 -0.12 -0.00 0.00 -0.86 0.00 0.00 29.16 28.14 1aq6 h TRP 47 CO -0.06 0.63 -0.74 -0.07 -1.05 0.00 0.00 178.44 177.15 1aq6 h LEU 48 N 0.17 0.50 -0.41 -4.49 3.38 -1.10 -0.41 115.31 112.95 1aq6 h LEU 48 Ca 0.06 -0.33 -0.06 0.00 0.09 0.00 0.00 57.88 57.64 1aq6 h LEU 48 Cb 0.47 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 1aq6 h LEU 48 CO 0.02 1.08 0.02 0.03 0.09 0.00 0.00 178.44 179.68 1aq6 h ARG 49 N 0.28 0.72 -0.30 1.13 3.08 -0.97 -1.87 114.38 116.45 1aq6 h ARG 49 Ca -0.03 -0.22 -0.03 0.00 0.07 0.00 0.00 59.98 59.77 1aq6 h ARG 49 Cb 1.32 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 31.29 1aq6 h ARG 49 CO 0.13 0.79 0.08 0.00 -1.07 0.00 0.00 179.97 179.89 1aq6 h ALA 50 N 0.90 0.40 -0.07 0.04 0.00 -1.38 -0.19 119.26 118.95 1aq6 h ALA 50 Ca 0.12 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 1aq6 h ALA 50 Cb 0.45 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1aq6 h ALA 50 CO 0.02 0.05 -0.24 1.25 0.00 0.00 0.00 179.25 180.33 1aq6 h LEU 51 N 0.33 0.12 -0.28 0.00 5.85 -0.99 -1.82 115.31 118.52 1aq6 h LEU 51 Ca 0.10 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1aq6 h LEU 51 Cb 0.28 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.28 1aq6 h LEU 51 CO 0.00 0.37 0.00 0.24 -0.34 0.00 0.00 178.44 178.71 1aq6 h MET 52 N 0.11 0.00 -0.88 1.25 2.86 -1.18 -3.47 114.93 113.62 1aq6 h MET 52 Ca 0.02 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.61 1aq6 h MET 52 Cb 0.49 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.16 1aq6 h MET 52 CO 0.03 0.00 -0.07 0.41 1.06 0.00 0.00 176.91 178.34 1aq6 n GLY 53 N 0.91 0.49 2.49 8.32 0.00 -0.68 -4.99 105.19 111.73 1aq6 n GLY 53 Ca 0.04 -0.69 -0.24 0.00 0.00 0.00 0.00 46.02 45.13 1aq6 n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aq6 n ARG 54 N -1.15 2.03 -2.07 1.61 5.12 -0.14 -5.04 116.66 117.02 1aq6 n ARG 54 Ca -0.02 -4.13 -0.36 0.00 -1.93 0.00 0.00 57.85 51.41 1aq6 n ARG 54 Cb 0.52 -1.92 0.02 0.00 -1.16 0.00 0.00 32.46 29.92 1aq6 n ARG 54 CO 0.00 0.00 0.00 -0.47 -1.93 0.00 0.00 177.63 175.23 1aq6 s TYR 55 N -2.58 2.52 -0.05 -1.55 5.04 -1.25 -4.60 117.35 114.87 1aq6 s TYR 55 Ca 0.42 1.51 -0.11 0.00 -2.44 0.00 0.00 57.07 56.44 1aq6 s TYR 55 Cb 0.25 -3.47 0.02 0.00 0.35 0.00 0.00 41.96 39.11 1aq6 s TYR 55 CO -0.09 -2.06 0.27 0.00 -1.34 0.00 0.00 175.55 172.33 1aq6 s ALA 56 N -1.57 -0.67 1.07 3.97 0.00 -1.26 -5.08 121.76 118.20 1aq6 s ALA 56 Ca 0.73 0.45 -0.12 0.00 0.00 0.00 0.00 51.96 53.02 1aq6 s ALA 56 Cb -0.30 -0.15 0.23 0.00 0.00 0.00 0.00 23.12 22.89 1aq6 s ALA 56 CO 0.34 -0.20 1.06 0.16 0.00 0.00 0.00 175.76 177.13 1aq6 s ASP 57 N -0.70 1.92 0.59 0.00 1.47 -1.26 -4.67 116.67 114.02 1aq6 s ASP 57 Ca -0.08 1.39 0.32 0.00 1.18 0.00 0.00 52.55 55.37 1aq6 s ASP 57 Cb -0.04 -2.10 1.87 0.00 -0.34 0.00 0.00 42.92 42.31 1aq6 s ASP 57 CO 0.02 -3.60 2.24 0.15 0.68 0.00 0.00 175.17 174.67 1aq6 h PHE 58 N -2.21 0.00 -0.37 2.11 3.57 -1.90 -1.03 116.94 117.11 1aq6 h PHE 58 Ca -0.57 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 60.85 1aq6 h PHE 58 Cb 1.33 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.05 1aq6 h PHE 58 CO 0.30 0.02 -0.08 2.35 -2.23 0.00 0.00 178.31 178.67 1aq6 h TRP 59 N 0.00 0.80 -0.32 0.41 -0.00 -1.91 0.38 115.95 115.31 1aq6 h TRP 59 Ca -0.00 -0.17 -0.09 0.00 -0.00 0.00 0.00 58.89 58.63 1aq6 h TRP 59 Cb 0.08 -0.20 -0.01 0.00 -0.00 0.00 0.00 29.16 29.03 1aq6 h TRP 59 CO 0.00 0.85 -0.16 0.78 -0.00 0.00 0.00 178.44 179.92 1aq6 h GLY 60 N 0.51 0.72 0.84 2.65 0.00 -1.74 -1.84 103.07 104.22 1aq6 h GLY 60 Ca 0.10 -0.65 0.03 0.00 0.00 0.00 0.00 47.33 46.80 1aq6 h GLY 60 CO 0.04 0.59 0.26 -2.08 0.00 0.00 0.00 176.54 175.35 1aq6 h VAL 61 N 0.43 1.02 -0.74 4.60 2.07 -1.03 -0.01 116.25 122.59 1aq6 h VAL 61 Ca 0.07 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.41 1aq6 h VAL 61 Cb 0.68 0.45 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 1aq6 h VAL 61 CO 0.05 0.10 0.46 0.74 0.02 0.00 0.00 177.57 178.94 1aq6 h THR 62 N 0.52 1.20 -0.36 2.57 2.02 -0.13 0.20 112.91 118.93 1aq6 h THR 62 Ca 0.19 -0.42 -0.16 0.00 0.77 0.00 0.00 66.41 66.80 1aq6 h THR 62 Cb 0.05 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 66.60 1aq6 h THR 62 CO -0.11 0.20 -0.40 0.03 0.37 0.00 0.00 175.52 175.62 1aq6 h ARG 63 N 1.01 0.89 -0.69 6.66 3.08 -1.07 -1.78 114.38 122.48 1aq6 h ARG 63 Ca 0.27 -0.47 -0.06 0.00 0.07 0.00 0.00 59.98 59.78 1aq6 h ARG 63 Cb -0.07 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 29.97 1aq6 h ARG 63 CO -0.05 1.12 0.20 0.93 -1.07 0.00 0.00 179.97 181.10 1aq6 h GLU 64 N 0.73 1.08 -0.59 0.04 5.08 -0.70 -0.81 114.58 119.41 1aq6 h GLU 64 Ca 0.06 -0.24 -0.10 0.00 -1.00 0.00 0.00 59.36 58.08 1aq6 h GLU 64 Cb 0.98 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.06 1aq6 h GLU 64 CO 0.10 0.94 -0.02 0.00 -1.00 0.00 0.00 179.01 179.03 1aq6 h ALA 65 N 1.09 0.84 -0.54 3.43 0.00 -0.91 -1.68 119.26 121.49 1aq6 h ALA 65 Ca 0.22 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 1aq6 h ALA 65 Cb 0.32 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1aq6 h ALA 65 CO -0.00 0.67 0.18 1.25 0.00 0.00 0.00 179.25 181.35 1aq6 h LEU 66 N 0.96 0.77 -0.48 0.00 5.85 -1.02 -1.65 115.31 119.74 1aq6 h LEU 66 Ca 0.17 -0.20 0.02 0.00 0.84 0.00 0.00 57.88 58.71 1aq6 h LEU 66 Cb 0.58 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 1aq6 h LEU 66 CO 0.03 0.76 0.29 0.00 -0.34 0.00 0.00 178.44 179.19 1aq6 h ALA 67 N 1.04 0.61 -0.15 1.25 0.00 -0.91 -0.37 119.26 120.74 1aq6 h ALA 67 Ca 0.17 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.09 1aq6 h ALA 67 Cb 0.26 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1aq6 h ALA 67 CO -0.01 -0.00 0.04 -0.92 0.00 0.00 0.00 179.25 178.36 1aq6 h TYR 68 N 0.59 0.07 0.17 0.00 5.03 -1.17 0.27 116.97 121.93 1aq6 h TYR 68 Ca 0.19 0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.50 1aq6 h TYR 68 Cb -0.00 -0.01 0.00 0.00 1.55 0.00 0.00 36.73 38.27 1aq6 h TYR 68 CO -0.06 0.03 -0.08 1.15 -1.32 0.00 0.00 178.16 177.88 1aq6 h THR 69 N 0.10 0.83 -0.23 1.81 2.02 -0.83 -0.78 112.91 115.83 1aq6 h THR 69 Ca 0.06 -0.01 -0.05 0.00 0.77 0.00 0.00 66.41 67.19 1aq6 h THR 69 Cb 0.05 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 67.28 1aq6 h THR 69 CO -0.08 0.00 -0.07 -0.07 0.37 0.00 0.00 175.52 175.67 1aq6 h LEU 70 N -0.23 0.33 -1.36 2.58 3.38 -1.09 -2.07 115.31 116.84 1aq6 h LEU 70 Ca -0.02 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1aq6 h LEU 70 Cb 0.18 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 1aq6 h LEU 70 CO 0.04 0.45 0.30 1.23 0.09 0.00 0.00 178.44 180.55 1aq6 h GLY 71 N 0.77 0.79 1.61 0.83 0.00 -0.30 -1.96 103.07 104.80 1aq6 h GLY 71 Ca 0.07 -0.33 -0.01 0.00 0.00 0.00 0.00 47.33 47.06 1aq6 h GLY 71 CO 0.02 0.32 0.19 -0.91 0.00 0.00 0.00 176.54 176.16 1aq6 h THR 72 N 0.75 1.13 0.00 4.70 1.35 -0.42 -1.05 112.91 119.37 1aq6 h THR 72 Ca 0.19 -0.34 0.00 0.00 -0.55 0.00 0.00 66.41 65.71 1aq6 h THR 72 Cb 0.01 0.63 0.00 0.00 -1.73 0.00 0.00 68.15 67.06 1aq6 h THR 72 CO -0.03 0.14 0.00 0.18 -0.25 0.00 0.00 175.52 175.56 1aq6 n LEU 73 N -4.42 0.00 0.00 3.87 4.77 -0.80 -4.89 117.00 115.52 1aq6 n LEU 73 Ca 0.03 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 1aq6 n LEU 73 Cb 0.11 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 1aq6 n LEU 73 CO 0.36 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 1aq6 n GLY 74 N 0.99 0.75 3.92 -0.72 0.00 -0.40 -5.08 105.19 104.65 1aq6 n GLY 74 Ca 0.18 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.94 1aq6 n GLY 74 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1aq6 s LEU 75 N 0.00 3.70 -0.40 0.99 1.43 -0.83 -4.99 118.68 118.58 1aq6 s LEU 75 Ca 0.00 0.77 0.06 0.00 -1.03 0.00 0.00 54.13 53.93 1aq6 s LEU 75 Cb 0.00 -3.69 0.21 0.00 0.03 0.00 0.00 46.19 42.74 1aq6 s LEU 75 CO 0.00 -0.54 0.43 -0.62 0.23 0.00 0.00 176.35 175.86 1aq6 n GLU 76 N -2.15 0.43 -2.36 1.70 -0.58 -1.26 -3.90 120.64 112.51 1aq6 n GLU 76 Ca -0.01 -3.15 -0.38 0.00 -0.42 0.00 0.00 57.16 53.21 1aq6 n GLU 76 Cb 0.56 -1.46 -0.02 0.00 -0.57 0.00 0.00 31.44 29.94 1aq6 n GLU 76 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1aq6 s PRO 77 N -0.46 4.06 0.67 3.49 0.04 -1.26 -5.05 135.00 136.50 1aq6 s PRO 77 Ca 0.34 1.75 -0.04 0.00 0.04 0.00 0.00 61.00 63.08 1aq6 s PRO 77 Cb 0.10 -2.62 0.07 0.00 0.04 0.00 0.00 34.50 32.08 1aq6 s PRO 77 CO -0.16 -0.29 0.96 0.16 0.04 0.00 0.00 177.00 177.71 1aq6 s ASP 78 N -1.26 4.82 0.22 6.66 1.47 -1.26 -4.86 116.67 122.46 1aq6 s ASP 78 Ca 0.58 0.23 -0.08 0.00 1.18 0.00 0.00 52.55 54.45 1aq6 s ASP 78 Cb -0.28 -0.89 0.26 0.00 -0.34 0.00 0.00 42.92 41.67 1aq6 s ASP 78 CO 0.35 -1.54 1.82 -0.08 0.68 0.00 0.00 175.17 176.40 1aq6 h GLU 79 N -0.44 0.74 -0.95 2.11 4.57 -1.99 -0.91 114.58 117.71 1aq6 h GLU 79 Ca -0.43 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 57.70 1aq6 h GLU 79 Cb 1.30 -0.17 -0.05 0.00 -0.16 0.00 0.00 28.75 29.68 1aq6 h GLU 79 CO 0.55 0.49 0.56 1.03 -1.18 0.00 0.00 179.01 180.46 1aq6 h SER 80 N 0.76 1.14 -0.05 1.04 0.87 -1.99 0.20 113.55 115.53 1aq6 h SER 80 Ca 0.32 -0.08 -0.00 0.00 -1.23 0.00 0.00 61.79 60.80 1aq6 h SER 80 Cb 0.18 -0.29 -0.00 0.00 -0.44 0.00 0.00 62.40 61.84 1aq6 h SER 80 CO -0.18 0.88 0.02 0.15 -0.53 0.00 0.00 176.83 177.18 1aq6 h PHE 81 N 1.31 0.07 -0.50 2.24 3.04 -1.72 -2.11 116.94 119.28 1aq6 h PHE 81 Ca 0.34 -0.01 0.04 0.00 3.98 0.00 0.00 57.97 62.32 1aq6 h PHE 81 Cb -0.04 -0.02 -0.04 0.00 2.56 0.00 0.00 35.95 38.40 1aq6 h PHE 81 CO 0.01 0.20 0.26 -0.07 -2.02 0.00 0.00 178.31 176.68 1aq6 h LEU 82 N -0.07 0.37 -0.69 0.59 3.38 -0.69 -0.43 115.31 117.78 1aq6 h LEU 82 Ca 0.02 0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.92 1aq6 h LEU 82 Cb 0.16 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1aq6 h LEU 82 CO -0.00 0.26 0.04 0.00 0.09 0.00 0.00 178.44 178.83 1aq6 h ALA 83 N 1.26 0.90 0.21 1.53 0.00 -0.59 0.89 119.26 123.46 1aq6 h ALA 83 Ca 0.22 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1aq6 h ALA 83 Cb 0.12 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1aq6 h ALA 83 CO -0.15 0.66 -0.10 0.22 0.00 0.00 0.00 179.25 179.88 1aq6 h ASP 84 N 0.98 -0.24 -0.67 0.00 3.58 -0.99 -3.07 116.42 116.02 1aq6 h ASP 84 Ca 0.18 -0.09 -0.02 0.00 0.42 0.00 0.00 57.03 57.52 1aq6 h ASP 84 Cb 0.50 0.06 -0.03 0.00 1.72 0.00 0.00 39.33 41.58 1aq6 h ASP 84 CO 0.02 -0.06 0.32 -0.03 -2.88 0.00 0.00 179.24 176.61 1aq6 h MET 85 N -0.40 0.96 0.00 0.28 4.05 -0.94 -2.65 114.93 116.23 1aq6 h MET 85 Ca -0.03 -0.14 0.00 0.00 -0.28 0.00 0.00 59.70 59.25 1aq6 h MET 85 Cb 0.31 -0.17 0.00 0.00 -0.80 0.00 0.00 31.60 30.94 1aq6 h MET 85 CO 0.05 0.76 0.00 0.00 0.23 0.00 0.00 176.91 177.95 1aq6 h ALA 86 N 1.15 1.00 0.00 0.39 0.00 -0.82 -1.59 119.26 119.39 1aq6 h ALA 86 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1aq6 h ALA 86 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1aq6 h ALA 86 CO -0.03 0.00 0.00 1.96 0.00 0.00 0.00 179.25 181.18 1aq6 h GLN 87 N 0.00 0.00 -0.82 0.00 1.08 -1.37 -0.82 115.11 113.18 1aq6 h GLN 87 Ca 0.00 0.00 0.16 0.00 -1.45 0.00 0.00 58.65 57.36 1aq6 h GLN 87 Cb 0.12 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 27.49 1aq6 h GLN 87 CO 0.00 0.00 0.54 0.00 -0.95 0.00 0.00 178.83 178.42 1aq6 h ALA 88 N 2.00 2.10 0.00 3.87 0.00 -1.48 -0.04 119.26 125.71 1aq6 h ALA 88 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1aq6 h ALA 88 Cb 0.06 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1aq6 h ALA 88 CO 0.00 -0.33 0.00 1.88 0.00 0.00 0.00 179.25 180.80 1aq6 h TYR 89 N 0.46 0.00 -0.30 0.00 0.05 -1.39 -2.46 116.97 113.34 1aq6 h TYR 89 Ca 0.41 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.19 1aq6 h TYR 89 Cb 0.92 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.66 1aq6 h TYR 89 CO -0.00 0.00 0.00 0.09 -1.05 0.00 0.00 178.16 177.20 1aq6 n ASN 90 N -2.53 2.62 -0.42 3.88 3.02 -0.03 -4.06 115.26 117.75 1aq6 n ASN 90 Ca 0.01 -1.88 0.05 0.00 -0.03 0.00 0.00 54.58 52.73 1aq6 n ASN 90 Cb 0.22 -0.19 0.07 0.00 -0.61 0.00 0.00 39.78 39.27 1aq6 n ASN 90 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1aq6 n ARG 91 N 0.95 0.60 -1.76 3.52 1.74 -0.93 -3.13 116.66 117.66 1aq6 n ARG 91 Ca 0.18 -1.85 -0.41 0.00 -0.77 0.00 0.00 57.85 54.99 1aq6 n ARG 91 Cb 0.47 -0.93 -0.00 0.00 -1.02 0.00 0.00 32.46 30.99 1aq6 n ARG 91 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1aq6 n LEU 92 N -0.60 4.48 -4.72 0.55 4.77 -1.21 -4.93 117.00 115.34 1aq6 n LEU 92 Ca 0.08 1.22 -0.42 0.00 -0.03 0.00 0.00 56.01 56.86 1aq6 n LEU 92 Cb 0.71 -1.59 -0.03 0.00 -2.33 0.00 0.00 43.42 40.18 1aq6 n LEU 92 CO -0.00 0.01 0.94 -0.89 -1.33 0.00 0.00 177.39 176.11 1aq6 s THR 93 N -1.09 3.67 0.67 -5.08 2.01 -1.26 -4.79 115.64 109.77 1aq6 s THR 93 Ca 0.54 1.26 -0.14 0.00 0.31 0.00 0.00 61.69 63.65 1aq6 s THR 93 Cb -0.50 -3.80 0.01 0.00 0.01 0.00 0.00 72.50 68.21 1aq6 s THR 93 CO 0.63 0.13 1.11 -2.16 -0.69 0.00 0.00 174.62 173.64 1aq6 s PRO 94 N 0.63 2.73 0.47 4.92 0.04 -1.26 -1.01 135.00 141.52 1aq6 s PRO 94 Ca 0.58 1.37 -0.24 0.00 0.04 0.00 0.00 61.00 62.75 1aq6 s PRO 94 Cb -0.33 -1.94 -0.07 0.00 0.04 0.00 0.00 34.50 32.20 1aq6 s PRO 94 CO 0.32 -1.30 1.30 0.71 0.04 0.00 0.00 177.00 178.07 1aq6 s TYR 95 N -2.40 2.62 0.39 0.56 2.02 -0.44 -4.78 117.35 115.32 1aq6 s TYR 95 Ca 0.66 1.41 0.17 0.00 -0.37 0.00 0.00 57.07 58.94 1aq6 s TYR 95 Cb -0.20 -3.68 1.08 0.00 -0.40 0.00 0.00 41.96 38.76 1aq6 s TYR 95 CO 0.43 -2.31 1.76 -1.00 -1.57 0.00 0.00 175.55 172.86 1aq6 h PRO 96 N 2.12 0.40 -0.29 -1.71 0.13 -1.93 -2.09 132.00 128.63 1aq6 h PRO 96 Ca -0.50 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 1aq6 h PRO 96 Cb 1.27 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1aq6 h PRO 96 CO 0.60 0.27 0.00 -0.40 -0.23 0.00 0.00 178.00 178.24 1aq6 n ASP 97 N -4.67 2.32 0.12 1.44 5.75 -1.26 -4.51 116.55 115.74 1aq6 n ASP 97 Ca 0.26 -1.85 -0.13 0.00 -0.01 0.00 0.00 54.79 53.05 1aq6 n ASP 97 Cb 0.87 -0.19 -0.08 0.00 -1.03 0.00 0.00 41.12 40.70 1aq6 n ASP 97 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1aq6 h ALA 98 N 4.14 -0.22 0.05 2.12 0.00 -1.74 -0.84 119.26 122.77 1aq6 h ALA 98 Ca 0.00 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.85 1aq6 h ALA 98 Cb 0.65 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1aq6 h ALA 98 CO 0.00 -0.60 -0.08 0.00 0.00 0.00 0.00 179.25 178.57 1aq6 h ALA 99 N 0.57 -0.13 -0.62 0.00 0.00 -1.80 0.78 119.26 118.06 1aq6 h ALA 99 Ca -0.02 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.95 1aq6 h ALA 99 Cb 0.21 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.06 1aq6 h ALA 99 CO 0.04 -0.59 0.30 -0.56 0.00 0.00 0.00 179.25 178.44 1aq6 h GLN 100 N -0.17 0.53 -0.27 0.00 3.07 -1.82 -1.67 115.11 114.78 1aq6 h GLN 100 Ca 0.01 -0.03 0.01 0.00 0.09 0.00 0.00 58.65 58.73 1aq6 h GLN 100 Cb 0.18 -0.12 -0.02 0.00 0.08 0.00 0.00 27.48 27.60 1aq6 h GLN 100 CO -0.04 0.35 0.16 0.00 0.09 0.00 0.00 178.83 179.38 1aq6 h LEU 102 N 0.32 0.00 0.09 0.00 3.38 -0.40 -2.22 115.31 116.47 1aq6 h LEU 102 Ca 0.11 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.79 1aq6 h LEU 102 Cb -0.00 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.77 1aq6 h LEU 102 CO -0.05 0.32 -1.23 0.00 0.09 0.00 0.00 178.44 177.57 1aq6 h ALA 103 N 1.68 0.05 0.00 1.53 0.00 -1.06 -3.26 119.26 118.20 1aq6 h ALA 103 Ca -0.00 -0.80 0.00 0.00 0.00 0.00 0.00 54.91 54.11 1aq6 h ALA 103 Cb 0.58 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1aq6 h ALA 103 CO 0.04 0.77 0.00 0.93 0.00 0.00 0.00 179.25 180.99 1aq6 h GLU 104 N 0.21 0.00 0.04 0.00 5.08 -1.13 -3.11 114.58 115.67 1aq6 h GLU 104 Ca -0.17 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 57.95 1aq6 h GLU 104 Cb 1.91 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.16 1aq6 h GLU 104 CO 0.23 0.00 -1.02 -0.07 -1.00 0.00 0.00 179.01 177.15 1aq6 h LEU 105 N 0.00 0.49 -9.75 1.33 3.38 -1.44 -3.45 115.31 105.87 1aq6 h LEU 105 Ca 0.00 -0.42 -0.57 0.00 0.09 0.00 0.00 57.88 56.98 1aq6 h LEU 105 Cb 0.57 -0.15 0.12 0.00 0.09 0.00 0.00 40.66 41.30 1aq6 h LEU 105 CO 0.00 1.24 0.40 0.00 0.09 0.00 0.00 178.44 180.18 1aq6 n ALA 106 N -2.53 0.97 -0.23 1.53 0.00 -1.18 -1.70 120.51 117.37 1aq6 n ALA 106 Ca -0.07 0.29 -0.08 0.00 0.00 0.00 0.00 53.44 53.58 1aq6 n ALA 106 Cb 0.88 -2.21 0.15 0.00 0.00 0.00 0.00 19.45 18.27 1aq6 n ALA 106 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1aq6 n PRO 107 N 0.21 2.28 -1.27 0.00 -0.04 -1.26 -5.04 135.00 129.88 1aq6 n PRO 107 Ca 0.07 -1.79 -0.31 0.00 -0.04 0.00 0.00 63.50 61.43 1aq6 n PRO 107 Cb 0.38 -1.78 0.09 0.00 -0.04 0.00 0.00 33.50 32.15 1aq6 n PRO 107 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1aq6 s LEU 108 N -1.81 3.05 0.21 1.53 2.01 -0.69 -4.98 118.68 118.00 1aq6 s LEU 108 Ca 0.33 1.84 -0.30 0.00 0.01 0.00 0.00 54.13 56.01 1aq6 s LEU 108 Cb 0.27 -4.52 -0.08 0.00 0.01 0.00 0.00 46.19 41.86 1aq6 s LEU 108 CO 0.07 -2.04 1.11 -0.54 1.01 0.00 0.00 176.35 175.96 1aq6 s LYS 109 N -4.85 4.59 -0.05 1.70 1.02 -0.48 -4.92 119.74 116.76 1aq6 s LYS 109 Ca 0.62 1.76 0.06 0.00 0.02 0.00 0.00 55.97 58.42 1aq6 s LYS 109 Cb -0.17 -3.25 -0.01 0.00 -0.52 0.00 0.00 37.83 33.88 1aq6 s LYS 109 CO 0.55 0.09 -0.22 1.03 -0.92 0.00 0.00 175.35 175.88 1aq6 s ARG 110 N -0.63 2.21 0.24 1.68 0.52 -1.26 -0.70 118.95 121.00 1aq6 s ARG 110 Ca 0.48 -0.79 -0.19 0.00 -0.52 0.00 0.00 55.73 54.71 1aq6 s ARG 110 Cb -0.30 -1.91 0.02 0.00 0.52 0.00 0.00 34.95 33.28 1aq6 s ARG 110 CO 0.37 0.35 0.62 0.00 0.02 0.00 0.00 175.30 176.65 1aq6 s ALA 111 N -0.14 -1.04 0.01 2.13 0.00 -0.80 -0.27 121.76 121.65 1aq6 s ALA 111 Ca -0.02 -0.28 0.07 0.00 0.00 0.00 0.00 51.96 51.73 1aq6 s ALA 111 Cb -0.12 0.89 -0.03 0.00 0.00 0.00 0.00 23.12 23.86 1aq6 s ALA 111 CO 0.03 -0.92 -0.21 0.42 0.00 0.00 0.00 175.76 175.07 1aq6 s ILE 112 N -3.90 2.49 -0.26 0.00 1.01 -0.98 0.08 121.20 119.64 1aq6 s ILE 112 Ca 0.11 -1.11 0.01 0.00 0.00 0.00 0.00 60.65 59.65 1aq6 s ILE 112 Cb -0.03 -1.97 0.08 0.00 0.01 0.00 0.00 42.46 40.54 1aq6 s ILE 112 CO 0.02 0.46 0.00 -0.22 0.00 0.00 0.00 174.94 175.21 1aq6 s LEU 113 N -1.02 2.76 0.10 2.97 2.96 -0.27 -1.10 118.68 125.08 1aq6 s LEU 113 Ca 0.12 -1.41 0.03 0.00 -0.22 0.00 0.00 54.13 52.65 1aq6 s LEU 113 Cb -0.10 -1.14 -0.04 0.00 0.50 0.00 0.00 46.19 45.41 1aq6 s LEU 113 CO 0.02 -0.30 -0.09 -0.55 -1.32 0.00 0.00 176.35 174.11 1aq6 s SER 114 N 1.39 1.34 0.53 3.68 0.15 -0.21 -4.27 113.70 116.31 1aq6 s SER 114 Ca 0.01 -0.85 0.31 0.00 0.70 0.00 0.00 55.95 56.12 1aq6 s SER 114 Cb -0.18 0.03 1.38 0.00 -1.71 0.00 0.00 66.02 65.53 1aq6 s SER 114 CO -0.11 -0.31 2.00 0.78 1.20 0.00 0.00 173.24 176.80 1aq6 h ASN 115 N 3.45 0.00 -3.53 5.45 2.35 -1.96 -1.61 115.58 119.73 1aq6 h ASN 115 Ca -0.37 0.00 -0.56 0.00 -0.55 0.00 0.00 56.30 54.82 1aq6 h ASN 115 Cb 1.18 0.00 0.13 0.00 0.05 0.00 0.00 38.32 39.68 1aq6 h ASN 115 CO 0.55 0.08 0.46 0.61 -1.65 0.00 0.00 177.43 177.48 1aq6 n GLY 116 N -0.18 0.46 3.74 2.83 0.00 -1.26 -4.26 105.19 106.52 1aq6 n GLY 116 Ca -0.00 0.17 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 1aq6 n GLY 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aq6 s ALA 117 N -1.22 2.16 0.21 4.61 0.00 -1.26 -4.32 121.76 121.95 1aq6 s ALA 117 Ca 0.62 0.59 -0.10 0.00 0.00 0.00 0.00 51.96 53.07 1aq6 s ALA 117 Cb -0.50 -3.37 0.31 0.00 0.00 0.00 0.00 23.12 19.56 1aq6 s ALA 117 CO 0.57 -1.80 1.69 -1.35 0.00 0.00 0.00 175.76 174.87 1aq6 h PRO 118 N -0.63 0.19 -0.66 0.00 0.11 -1.96 -2.03 132.00 127.03 1aq6 h PRO 118 Ca -0.46 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.56 1aq6 h PRO 118 Cb 1.26 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.30 1aq6 h PRO 118 CO 0.50 0.13 0.11 -0.44 -0.21 0.00 0.00 178.00 178.09 1aq6 h ASP 119 N 0.20 1.04 -0.15 -2.05 3.32 -2.00 -2.04 116.42 114.75 1aq6 h ASP 119 Ca 0.33 -0.26 0.03 0.00 0.02 0.00 0.00 57.03 57.15 1aq6 h ASP 119 Cb 0.52 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.76 1aq6 h ASP 119 CO -0.46 1.04 -0.04 0.24 -1.72 0.00 0.00 179.24 178.29 1aq6 h MET 120 N 1.01 -0.00 -0.68 3.56 2.86 -1.81 -2.04 114.93 117.82 1aq6 h MET 120 Ca 0.20 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.80 1aq6 h MET 120 Cb 0.44 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.07 1aq6 h MET 120 CO 0.01 -0.00 0.26 -0.07 1.06 0.00 0.00 176.91 178.17 1aq6 h LEU 121 N -0.00 0.95 0.18 1.22 3.38 -1.18 0.58 115.31 120.44 1aq6 h LEU 121 Ca 0.07 -0.18 0.01 0.00 0.09 0.00 0.00 57.88 57.87 1aq6 h LEU 121 Cb 0.11 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1aq6 h LEU 121 CO -0.16 0.87 -0.21 1.56 0.09 0.00 0.00 178.44 180.59 1aq6 h GLN 122 N 0.97 -0.42 0.08 1.13 4.20 -1.15 -0.89 115.11 119.03 1aq6 h GLN 122 Ca 0.23 0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.96 1aq6 h GLN 122 Cb 0.22 0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.10 1aq6 h GLN 122 CO -0.02 -0.28 -0.04 0.00 -0.67 0.00 0.00 178.83 177.82 1aq6 h ALA 123 N 0.31 -0.11 -0.24 3.87 0.00 -1.25 -1.84 119.26 120.00 1aq6 h ALA 123 Ca 0.01 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.95 1aq6 h ALA 123 Cb 0.42 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.19 1aq6 h ALA 123 CO -0.07 -0.56 -0.19 1.25 0.00 0.00 0.00 179.25 179.68 1aq6 h LEU 124 N -0.12 -0.61 -0.37 0.00 5.85 -0.73 0.32 115.31 119.65 1aq6 h LEU 124 Ca -0.01 0.12 -0.06 0.00 0.84 0.00 0.00 57.88 58.77 1aq6 h LEU 124 Cb 0.09 0.30 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 1aq6 h LEU 124 CO 0.02 -0.23 -0.02 0.58 -0.34 0.00 0.00 178.44 178.45 1aq6 h VAL 125 N -0.19 1.26 -0.09 1.05 2.07 -1.12 -2.41 116.25 116.82 1aq6 h VAL 125 Ca 0.14 -1.02 -0.03 0.00 0.82 0.00 0.00 66.70 66.61 1aq6 h VAL 125 Cb 0.39 1.19 -0.00 0.00 -1.52 0.00 0.00 31.29 31.36 1aq6 h VAL 125 CO -0.35 0.34 -0.04 0.00 0.02 0.00 0.00 177.57 177.54 1aq6 h ALA 126 N 0.86 0.13 -0.76 1.67 0.00 -1.11 -0.08 119.26 119.96 1aq6 h ALA 126 Ca 0.10 -0.24 0.14 0.00 0.00 0.00 0.00 54.91 54.91 1aq6 h ALA 126 Cb 0.49 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 1aq6 h ALA 126 CO 0.02 -0.11 0.51 -0.91 0.00 0.00 0.00 179.25 178.76 1aq6 h ASN 127 N -0.17 0.46 0.69 0.00 2.35 -0.39 0.32 115.58 118.83 1aq6 h ASN 127 Ca 0.02 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 1aq6 h ASN 127 Cb 0.48 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.78 1aq6 h ASN 127 CO 0.01 0.24 0.00 0.00 -1.65 0.00 0.00 177.43 176.04 1aq6 n ALA 128 N -2.50 2.33 -1.49 -0.83 0.00 -0.91 -4.90 120.51 112.20 1aq6 n ALA 128 Ca 0.14 -0.12 -0.03 0.00 0.00 0.00 0.00 53.44 53.43 1aq6 n ALA 128 Cb 0.48 -1.45 -0.01 0.00 0.00 0.00 0.00 19.45 18.48 1aq6 n ALA 128 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1aq6 n GLY 129 N 1.17 0.47 0.72 0.00 0.00 0.11 -4.93 105.19 102.73 1aq6 n GLY 129 Ca 0.11 -0.85 0.07 0.00 0.00 0.00 0.00 46.02 45.34 1aq6 n GLY 129 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1aq6 n LEU 130 N -0.41 3.40 0.01 0.99 4.77 -0.07 -4.70 117.00 120.98 1aq6 n LEU 130 Ca -0.04 -2.64 0.03 0.00 -0.03 0.00 0.00 56.01 53.33 1aq6 n LEU 130 Cb 0.28 -0.41 0.39 0.00 -2.33 0.00 0.00 43.42 41.35 1aq6 n LEU 130 CO 0.05 0.69 1.09 0.74 -1.33 0.00 0.00 177.39 178.62 1aq6 h THR 131 N 1.70 1.13 -0.05 -5.08 2.02 -1.85 -2.03 112.91 108.74 1aq6 h THR 131 Ca 0.00 -0.38 0.00 0.00 0.77 0.00 0.00 66.41 66.80 1aq6 h THR 131 Cb 1.14 0.66 0.00 0.00 -1.74 0.00 0.00 68.15 68.21 1aq6 h THR 131 CO 0.13 0.15 0.00 0.47 0.37 0.00 0.00 175.52 176.64 1aq6 n ASP 132 N -4.41 0.42 -0.25 4.18 8.00 -1.26 -3.44 116.55 119.79 1aq6 n ASP 132 Ca 0.02 -1.59 0.11 0.00 0.71 0.00 0.00 54.79 54.04 1aq6 n ASP 132 Cb 0.12 -0.03 0.06 0.00 -0.02 0.00 0.00 41.12 41.25 1aq6 n ASP 132 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1aq6 n SER 133 N -0.46 1.36 -4.17 -2.24 7.64 -0.76 -4.95 113.62 110.03 1aq6 n SER 133 Ca 0.12 -1.10 -0.26 0.00 1.01 0.00 0.00 58.87 58.64 1aq6 n SER 133 Cb 0.12 0.54 -0.16 0.00 -1.01 0.00 0.00 64.21 63.70 1aq6 n SER 133 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1aq6 s PHE 134 N -2.70 1.74 0.02 1.43 0.08 -1.22 -4.79 117.98 112.53 1aq6 s PHE 134 Ca 0.16 -0.41 0.16 0.00 0.12 0.00 0.00 56.93 56.95 1aq6 s PHE 134 Cb 0.18 -1.14 0.29 0.00 -0.57 0.00 0.00 43.02 41.78 1aq6 s PHE 134 CO 0.67 -0.09 1.55 -0.44 -0.10 0.00 0.00 175.22 176.80 1aq6 h ASP 135 N 5.92 0.00 -3.66 1.36 3.32 -0.97 -3.45 116.42 118.93 1aq6 h ASP 135 Ca -0.35 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.69 1aq6 h ASP 135 Cb 1.16 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.49 1aq6 h ASP 135 CO 0.48 0.51 0.17 0.00 -1.72 0.00 0.00 179.24 178.68 1aq6 s ALA 136 N -3.21 -1.84 -0.47 3.45 0.00 -1.21 -5.05 121.76 113.43 1aq6 s ALA 136 Ca 0.02 2.08 0.02 0.00 0.00 0.00 0.00 51.96 54.08 1aq6 s ALA 136 Cb 0.09 -1.28 0.12 0.00 0.00 0.00 0.00 23.12 22.06 1aq6 s ALA 136 CO 0.73 -0.33 0.22 0.08 0.00 0.00 0.00 175.76 176.46 1aq6 s VAL 137 N 0.61 2.82 -0.21 0.00 1.01 -1.26 -2.31 120.40 121.06 1aq6 s VAL 137 Ca -0.02 -2.76 -0.20 0.00 0.00 0.00 0.00 61.98 59.01 1aq6 s VAL 137 Cb -0.05 -2.96 -0.03 0.00 0.00 0.00 0.00 36.38 33.35 1aq6 s VAL 137 CO -0.04 -0.74 0.59 -0.63 0.00 0.00 0.00 175.10 174.28 1aq6 s ILE 138 N 0.34 5.04 0.14 2.22 1.01 -0.26 -4.98 121.20 124.72 1aq6 s ILE 138 Ca 0.14 1.09 -0.02 0.00 0.00 0.00 0.00 60.65 61.85 1aq6 s ILE 138 Cb -0.22 -3.90 -0.05 0.00 0.01 0.00 0.00 42.46 38.30 1aq6 s ILE 138 CO -0.04 0.12 0.33 -0.55 0.00 0.00 0.00 174.94 174.80 1aq6 s SER 139 N 1.25 6.42 0.22 3.58 0.15 -1.26 -1.04 113.70 123.02 1aq6 s SER 139 Ca 0.26 0.43 0.25 0.00 0.70 0.00 0.00 55.95 57.60 1aq6 s SER 139 Cb -0.16 -2.02 0.89 0.00 -1.71 0.00 0.00 66.02 63.02 1aq6 s SER 139 CO 0.10 0.05 1.75 1.33 1.20 0.00 0.00 173.24 177.67 1aq6 n VAL 140 N -0.12 0.68 -0.33 4.45 0.24 -0.61 -4.30 118.33 118.34 1aq6 n VAL 140 Ca -0.04 -0.07 0.21 0.00 -2.04 0.00 0.00 64.34 62.40 1aq6 n VAL 140 Cb 0.52 -0.81 0.43 0.00 -1.47 0.00 0.00 33.84 32.51 1aq6 n VAL 140 CO 0.00 0.00 0.00 -0.78 -2.14 0.00 0.00 176.83 173.91 1aq6 h ASP 141 N 0.00 0.50 -0.03 -1.34 3.58 -1.83 0.61 116.42 117.90 1aq6 h ASP 141 Ca 0.00 0.18 0.01 0.00 0.42 0.00 0.00 57.03 57.64 1aq6 h ASP 141 Cb 0.58 0.13 -0.00 0.00 1.72 0.00 0.00 39.33 41.76 1aq6 h ASP 141 CO 0.00 -0.08 0.02 0.00 -2.88 0.00 0.00 179.24 176.30 1aq6 h ALA 142 N 1.81 1.91 0.00 -0.78 0.00 -1.96 -1.84 119.26 118.39 1aq6 h ALA 142 Ca 0.69 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.60 1aq6 h ALA 142 Cb 1.50 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.29 1aq6 h ALA 142 CO -0.58 -0.03 -0.42 1.63 0.00 0.00 0.00 179.25 179.85 1aq6 n LYS 143 N -4.36 0.05 -3.88 0.00 4.76 0.20 -4.97 118.16 109.96 1aq6 n LYS 143 Ca -0.02 0.02 -0.27 0.00 -2.87 0.00 0.00 58.31 55.16 1aq6 n LYS 143 Cb 0.11 -1.54 0.02 0.00 -1.84 0.00 0.00 35.03 31.78 1aq6 n LYS 143 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1aq6 n ARG 144 N -1.61 -4.73 -4.22 1.97 1.74 -0.69 -4.99 116.66 104.13 1aq6 n ARG 144 Ca 0.05 0.55 -0.16 0.00 -0.77 0.00 0.00 57.85 57.53 1aq6 n ARG 144 Cb 0.35 -5.18 -0.08 0.00 -1.02 0.00 0.00 32.46 26.53 1aq6 n ARG 144 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1aq6 s VAL 145 N -3.54 0.00 0.10 1.55 -7.23 -1.26 -4.72 120.40 105.30 1aq6 s VAL 145 Ca 0.33 -1.94 0.06 0.00 -1.81 0.00 0.00 61.98 58.63 1aq6 s VAL 145 Cb -0.17 -2.50 -0.03 0.00 0.56 0.00 0.00 36.38 34.24 1aq6 s VAL 145 CO 0.84 0.00 -0.16 -0.36 -0.31 0.00 0.00 175.10 175.11 1aq6 s PHE 146 N -3.72 1.46 0.52 2.82 0.08 -1.26 -4.65 117.98 113.23 1aq6 s PHE 146 Ca 0.38 -0.47 -0.21 0.00 0.12 0.00 0.00 56.93 56.75 1aq6 s PHE 146 Cb 0.04 -0.80 -0.07 0.00 -0.57 0.00 0.00 43.02 41.62 1aq6 s PHE 146 CO 0.20 0.14 1.04 1.63 -0.10 0.00 0.00 175.22 178.12 1aq6 n LYS 147 N 1.01 1.21 -1.25 0.44 5.02 -1.26 -1.62 118.16 121.71 1aq6 n LYS 147 Ca -0.19 0.45 -0.26 0.00 -2.02 0.00 0.00 58.31 56.29 1aq6 n LYS 147 Cb 0.55 -2.18 0.16 0.00 -0.02 0.00 0.00 35.03 33.53 1aq6 n LYS 147 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1aq6 n PRO 148 N -0.52 2.35 -1.73 1.97 -0.04 -1.26 -4.75 135.00 131.01 1aq6 n PRO 148 Ca 0.11 -3.08 -0.42 0.00 -0.04 0.00 0.00 63.50 60.07 1aq6 n PRO 148 Cb 0.44 -2.20 -0.01 0.00 -0.04 0.00 0.00 33.50 31.68 1aq6 n PRO 148 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 1aq6 n HIS 149 N -1.10 2.72 0.17 0.54 -0.00 -0.64 -4.78 115.22 112.13 1aq6 n HIS 149 Ca 0.60 0.34 0.15 0.00 0.46 0.00 0.00 57.72 59.28 1aq6 n HIS 149 Cb 1.44 -2.55 0.73 0.00 -0.12 0.00 0.00 29.99 29.49 1aq6 n HIS 149 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1aq6 h PRO 150 N 4.16 0.00 0.00 1.57 0.13 -1.93 -1.38 132.00 134.55 1aq6 h PRO 150 Ca -0.47 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.61 1aq6 h PRO 150 Cb 1.24 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 1aq6 h PRO 150 CO 0.74 0.00 -0.24 -0.44 -0.23 0.00 0.00 178.00 177.83 1aq6 h ASP 151 N 0.00 0.00 -0.37 1.44 3.32 -1.96 -1.65 116.42 117.20 1aq6 h ASP 151 Ca 0.10 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.09 1aq6 h ASP 151 Cb 0.43 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 1aq6 h ASP 151 CO -0.00 0.24 0.01 0.77 -1.72 0.00 0.00 179.24 178.54 1aq6 h SER 152 N 0.00 0.63 0.81 6.45 4.64 -1.58 -3.00 113.55 121.51 1aq6 h SER 152 Ca -0.00 -0.30 -0.05 0.00 -0.47 0.00 0.00 61.79 60.97 1aq6 h SER 152 Cb 0.56 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.47 1aq6 h SER 152 CO 0.03 0.78 -0.24 1.88 -0.87 0.00 0.00 176.83 178.41 1aq6 h TYR 153 N 0.47 0.00 -0.03 4.77 0.05 -1.45 -2.93 116.97 117.84 1aq6 h TYR 153 Ca 0.11 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.86 1aq6 h TYR 153 Cb 0.45 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.19 1aq6 h TYR 153 CO 0.04 0.24 -0.09 0.00 -1.05 0.00 0.00 178.16 177.29 1aq6 h ALA 154 N 1.76 1.79 -0.29 3.88 0.00 -1.18 -2.62 119.26 122.60 1aq6 h ALA 154 Ca -0.00 -0.10 0.08 0.00 0.00 0.00 0.00 54.91 54.89 1aq6 h ALA 154 Cb 0.71 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1aq6 h ALA 154 CO 0.03 0.16 0.21 -0.07 0.00 0.00 0.00 179.25 179.58 1aq6 h LEU 155 N 0.05 0.00 0.18 0.00 3.38 -1.51 -2.95 115.31 114.46 1aq6 h LEU 155 Ca 0.01 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.99 1aq6 h LEU 155 Cb 0.19 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1aq6 h LEU 155 CO 0.01 0.00 -0.32 0.58 0.09 0.00 0.00 178.44 178.81 1aq6 h VAL 156 N 0.00 0.32 -0.09 1.22 2.07 -1.68 0.40 116.25 118.50 1aq6 h VAL 156 Ca 0.14 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.67 1aq6 h VAL 156 Cb 0.55 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 1aq6 h VAL 156 CO -0.00 0.00 0.04 -0.08 0.02 0.00 0.00 177.57 177.55 1aq6 h GLU 157 N -0.58 0.09 -0.06 1.57 4.81 -1.64 0.23 114.58 119.00 1aq6 h GLU 157 Ca 0.02 -0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.28 1aq6 h GLU 157 Cb 0.58 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.88 1aq6 h GLU 157 CO -0.15 0.06 -0.40 0.93 -0.73 0.00 0.00 179.01 178.72 1aq6 h GLU 158 N 0.09 -0.50 -0.28 1.92 5.08 -1.33 0.20 114.58 119.76 1aq6 h GLU 158 Ca 0.04 0.03 -0.13 0.00 -1.00 0.00 0.00 59.36 58.30 1aq6 h GLU 158 Cb 0.01 0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 1aq6 h GLU 158 CO -0.03 -0.33 -0.34 0.28 -1.00 0.00 0.00 179.01 177.58 1aq6 h VAL 159 N -0.52 1.30 0.00 3.13 2.07 -0.78 -3.37 116.25 118.08 1aq6 h VAL 159 Ca 0.06 -1.53 0.00 0.00 0.82 0.00 0.00 66.70 66.06 1aq6 h VAL 159 Cb 0.62 1.62 0.00 0.00 -1.52 0.00 0.00 31.29 32.01 1aq6 h VAL 159 CO -0.34 0.49 -1.56 0.18 0.02 0.00 0.00 177.57 176.36 1aq6 n LEU 160 N -4.21 0.37 -0.03 2.57 4.77 0.79 -4.99 117.00 116.28 1aq6 n LEU 160 Ca -0.04 0.13 -0.00 0.00 -0.03 0.00 0.00 56.01 56.06 1aq6 n LEU 160 Cb 0.51 -0.03 -0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1aq6 n LEU 160 CO 0.46 -0.07 -0.00 0.61 -1.33 0.00 0.00 177.39 177.05 1aq6 n GLY 161 N 1.23 0.47 3.54 -0.72 0.00 0.69 -5.02 105.19 105.38 1aq6 n GLY 161 Ca -0.02 -0.43 -0.30 0.00 0.00 0.00 0.00 46.02 45.27 1aq6 n GLY 161 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1aq6 s VAL 162 N -1.99 3.20 0.47 1.61 -7.23 -1.26 -5.06 120.40 110.15 1aq6 s VAL 162 Ca 0.00 -1.28 -0.04 0.00 -1.81 0.00 0.00 61.98 58.84 1aq6 s VAL 162 Cb 0.00 -2.47 -0.03 0.00 0.56 0.00 0.00 36.38 34.44 1aq6 s VAL 162 CO 0.00 0.15 0.76 0.42 -0.31 0.00 0.00 175.10 176.12 1aq6 s THR 163 N -1.15 4.71 0.26 5.32 -4.23 -1.26 -3.88 115.64 115.41 1aq6 s THR 163 Ca 0.20 0.04 -0.04 0.00 -1.18 0.00 0.00 61.69 60.71 1aq6 s THR 163 Cb -0.11 -3.79 0.27 0.00 1.34 0.00 0.00 72.50 70.21 1aq6 s THR 163 CO 0.12 -0.73 1.66 -0.65 -0.54 0.00 0.00 174.62 174.48 1aq6 h PRO 164 N 0.26 0.20 0.00 3.99 0.11 -1.95 0.17 132.00 134.78 1aq6 h PRO 164 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1aq6 h PRO 164 Cb 1.22 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1aq6 h PRO 164 CO 0.61 0.13 0.00 0.00 -0.21 0.00 0.00 178.00 178.53 1aq6 n ALA 165 N -2.76 1.12 0.05 -0.75 0.00 -1.26 -2.04 120.51 114.87 1aq6 n ALA 165 Ca 0.16 0.16 0.10 0.00 0.00 0.00 0.00 53.44 53.86 1aq6 n ALA 165 Cb 0.53 -1.29 0.21 0.00 0.00 0.00 0.00 19.45 18.90 1aq6 n ALA 165 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1aq6 n GLU 166 N -2.17 2.44 -4.52 0.00 1.02 0.61 -4.72 120.64 113.31 1aq6 n GLU 166 Ca -0.01 -2.21 -0.34 0.00 -0.02 0.00 0.00 57.16 54.58 1aq6 n GLU 166 Cb 0.05 -1.44 -0.12 0.00 -0.02 0.00 0.00 31.44 29.91 1aq6 n GLU 166 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1aq6 s VAL 167 N -1.20 3.71 -0.35 2.62 1.01 -0.86 -0.29 120.40 125.03 1aq6 s VAL 167 Ca 0.35 -0.43 -0.12 0.00 0.00 0.00 0.00 61.98 61.78 1aq6 s VAL 167 Cb 0.20 -2.59 0.00 0.00 0.00 0.00 0.00 36.38 33.99 1aq6 s VAL 167 CO 0.27 0.52 0.21 -0.22 0.00 0.00 0.00 175.10 175.88 1aq6 s LEU 168 N 0.10 4.53 -0.13 3.92 2.96 0.11 -2.48 118.68 127.68 1aq6 s LEU 168 Ca -0.02 -0.68 -0.16 0.00 -0.22 0.00 0.00 54.13 53.05 1aq6 s LEU 168 Cb -0.14 -2.07 -0.04 0.00 0.50 0.00 0.00 46.19 44.44 1aq6 s LEU 168 CO 0.03 -0.29 0.40 0.12 -1.32 0.00 0.00 176.35 175.29 1aq6 s PHE 169 N 1.63 3.50 -0.19 5.38 2.19 -0.28 -0.51 117.98 129.70 1aq6 s PHE 169 Ca 0.04 0.77 -0.00 0.00 0.33 0.00 0.00 56.93 58.07 1aq6 s PHE 169 Cb -0.18 -2.46 0.01 0.00 -1.31 0.00 0.00 43.02 39.08 1aq6 s PHE 169 CO 0.08 0.21 -0.15 0.08 1.83 0.00 0.00 175.22 177.27 1aq6 s VAL 170 N 0.50 2.49 -0.04 3.12 1.01 0.13 -1.03 120.40 126.58 1aq6 s VAL 170 Ca 0.22 -0.80 -0.15 0.00 0.00 0.00 0.00 61.98 61.26 1aq6 s VAL 170 Cb -0.14 -2.08 0.03 0.00 0.00 0.00 0.00 36.38 34.19 1aq6 s VAL 170 CO 0.08 0.50 0.33 -0.55 0.00 0.00 0.00 175.10 175.46 1aq6 s SER 171 N 1.29 -0.24 0.00 3.32 0.15 -1.03 -0.94 113.70 116.26 1aq6 s SER 171 Ca 0.04 0.22 0.24 0.00 0.70 0.00 0.00 55.95 57.15 1aq6 s SER 171 Cb -0.14 0.39 0.23 0.00 -1.71 0.00 0.00 66.02 64.80 1aq6 s SER 171 CO -0.09 -0.39 1.26 -1.54 1.20 0.00 0.00 173.24 173.68 1aq6 n SER 172 N 1.56 2.30 -4.56 5.45 3.41 -1.26 -1.33 113.62 119.18 1aq6 n SER 172 Ca -0.20 -1.66 -0.39 0.00 -0.26 0.00 0.00 58.87 56.36 1aq6 n SER 172 Cb 0.56 0.21 -0.11 0.00 -0.26 0.00 0.00 64.21 64.61 1aq6 n SER 172 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1aq6 s ASN 173 N -2.24 6.04 0.26 4.04 0.01 -1.26 -4.84 114.94 116.95 1aq6 s ASN 173 Ca 0.25 -0.19 -0.02 0.00 -0.71 0.00 0.00 52.86 52.18 1aq6 s ASN 173 Cb 0.19 -2.13 0.52 0.00 0.41 0.00 0.00 41.25 40.25 1aq6 s ASN 173 CO 0.43 -0.14 1.72 1.23 -1.51 0.00 0.00 177.10 178.84 1aq6 h GLY 174 N 8.43 1.23 1.68 0.66 0.00 -1.80 -0.81 103.07 112.46 1aq6 h GLY 174 Ca -0.33 -0.14 -0.04 0.00 0.00 0.00 0.00 47.33 46.81 1aq6 h GLY 174 CO 0.59 -0.14 -0.03 0.27 0.00 0.00 0.00 176.54 177.22 1aq6 h PHE 175 N 0.42 0.41 -0.01 5.60 -0.00 -1.94 -1.94 116.94 119.49 1aq6 h PHE 175 Ca 0.45 -0.04 -0.21 0.00 -0.00 0.00 0.00 57.97 58.17 1aq6 h PHE 175 Cb 0.73 -0.12 -0.00 0.00 -0.00 0.00 0.00 35.95 36.56 1aq6 h PHE 175 CO -0.17 0.44 -0.89 0.22 -0.00 0.00 0.00 178.31 177.91 1aq6 h ASP 176 N 0.39 0.44 -0.70 -0.68 3.58 -1.62 -1.67 116.42 116.16 1aq6 h ASP 176 Ca 0.08 -0.34 -0.01 0.00 0.42 0.00 0.00 57.03 57.18 1aq6 h ASP 176 Cb 0.31 -0.13 -0.03 0.00 1.72 0.00 0.00 39.33 41.19 1aq6 h ASP 176 CO 0.01 1.13 0.38 0.58 -2.88 0.00 0.00 179.24 178.46 1aq6 h VAL 177 N 0.20 1.22 -0.38 2.25 2.07 -0.98 -0.95 116.25 119.67 1aq6 h VAL 177 Ca -0.06 -0.55 -0.06 0.00 0.82 0.00 0.00 66.70 66.85 1aq6 h VAL 177 Cb 1.51 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 1aq6 h VAL 177 CO 0.15 0.24 0.00 1.23 0.02 0.00 0.00 177.57 179.21 1aq6 h GLY 178 N 0.96 0.72 0.92 2.17 0.00 -1.23 -1.19 103.07 105.41 1aq6 h GLY 178 Ca 0.24 -0.53 -0.06 0.00 0.00 0.00 0.00 47.33 46.99 1aq6 h GLY 178 CO -0.04 0.49 -0.00 -1.33 0.00 0.00 0.00 176.54 175.66 1aq6 h GLY 179 N 0.49 0.67 0.98 4.60 0.00 -1.13 -0.16 103.07 108.53 1aq6 h GLY 179 Ca 0.11 -0.50 -0.01 0.00 0.00 0.00 0.00 47.33 46.93 1aq6 h GLY 179 CO 0.02 0.46 0.28 0.00 0.00 0.00 0.00 176.54 177.29 1aq6 h ALA 180 N 0.86 0.64 -0.08 3.60 0.00 -1.15 0.24 119.26 123.36 1aq6 h ALA 180 Ca 0.10 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1aq6 h ALA 180 Cb 0.46 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1aq6 h ALA 180 CO 0.02 0.15 0.04 0.87 0.00 0.00 0.00 179.25 180.33 1aq6 h LYS 181 N 0.66 0.12 -0.67 0.00 1.79 -1.11 -1.78 116.57 115.58 1aq6 h LYS 181 Ca 0.18 -0.02 0.12 0.00 -2.18 0.00 0.00 60.65 58.75 1aq6 h LYS 181 Cb 0.04 -0.02 -0.09 0.00 -1.58 0.00 0.00 32.23 30.58 1aq6 h LYS 181 CO -0.03 0.19 0.23 -0.97 -1.08 0.00 0.00 179.45 177.78 1aq6 h ASN 182 N 0.02 0.17 0.38 0.86 -1.24 -0.86 -1.69 115.58 113.22 1aq6 h ASN 182 Ca 0.03 0.10 -0.06 0.00 0.71 0.00 0.00 56.30 57.08 1aq6 h ASN 182 Cb 0.10 0.10 -0.01 0.00 0.73 0.00 0.00 38.32 39.25 1aq6 h ASN 182 CO -0.00 0.08 -0.29 0.15 -1.29 0.00 0.00 177.43 176.08 1aq6 h PHE 183 N 0.37 0.00 0.00 0.67 3.57 -0.59 -3.47 116.94 117.49 1aq6 h PHE 183 Ca 0.36 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.86 1aq6 h PHE 183 Cb 0.52 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.26 1aq6 h PHE 183 CO -0.20 0.29 0.00 0.41 -2.23 0.00 0.00 178.31 176.58 1aq6 n GLY 184 N -0.55 1.38 3.86 2.40 0.00 -0.64 -5.00 105.19 106.65 1aq6 n GLY 184 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 1aq6 n GLY 184 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1aq6 s PHE 185 N -2.00 3.37 0.25 1.61 0.08 -0.79 -4.01 117.98 116.50 1aq6 s PHE 185 Ca 0.00 1.20 -0.24 0.00 0.12 0.00 0.00 56.93 58.01 1aq6 s PHE 185 Cb 0.00 -2.91 -0.09 0.00 -0.57 0.00 0.00 43.02 39.45 1aq6 s PHE 185 CO 0.00 -1.05 0.83 -1.12 -0.10 0.00 0.00 175.22 173.78 1aq6 s SER 186 N -4.18 7.27 -0.03 1.36 0.01 -1.04 -4.52 113.70 112.58 1aq6 s SER 186 Ca 0.57 1.66 0.04 0.00 1.31 0.00 0.00 55.95 59.53 1aq6 s SER 186 Cb -0.12 -2.51 -0.00 0.00 0.21 0.00 0.00 66.02 63.60 1aq6 s SER 186 CO 0.53 0.04 -0.15 -0.69 0.41 0.00 0.00 173.24 173.39 1aq6 s VAL 187 N -1.46 1.20 -0.30 3.43 1.01 -1.26 -1.13 120.40 121.90 1aq6 s VAL 187 Ca 0.44 -0.61 -0.06 0.00 0.00 0.00 0.00 61.98 61.76 1aq6 s VAL 187 Cb -0.19 -1.03 0.02 0.00 0.00 0.00 0.00 36.38 35.17 1aq6 s VAL 187 CO 0.24 0.35 0.07 0.00 0.00 0.00 0.00 175.10 175.76 1aq6 s ALA 188 N -0.01 3.01 0.14 5.51 0.00 -0.20 -1.32 121.76 128.90 1aq6 s ALA 188 Ca -0.01 -1.52 -0.21 0.00 0.00 0.00 0.00 51.96 50.22 1aq6 s ALA 188 Cb -0.09 -2.11 -0.07 0.00 0.00 0.00 0.00 23.12 20.84 1aq6 s ALA 188 CO 0.01 -1.00 0.67 0.50 0.00 0.00 0.00 175.76 175.94 1aq6 s ARG 189 N 1.45 4.33 -0.40 0.00 3.52 0.51 -2.47 118.95 125.89 1aq6 s ARG 189 Ca 0.01 0.90 -0.13 0.00 -0.13 0.00 0.00 55.73 56.38 1aq6 s ARG 189 Cb -0.18 -3.15 0.04 0.00 -1.56 0.00 0.00 34.95 30.10 1aq6 s ARG 189 CO 0.02 0.55 0.27 0.08 -0.81 0.00 0.00 175.30 175.41 1aq6 s VAL 190 N -1.24 4.88 -0.47 7.11 1.01 -0.44 -1.21 120.40 130.04 1aq6 s VAL 190 Ca 0.35 -0.87 -0.09 0.00 0.00 0.00 0.00 61.98 61.37 1aq6 s VAL 190 Cb -0.20 -3.77 0.12 0.00 0.00 0.00 0.00 36.38 32.53 1aq6 s VAL 190 CO 0.22 -0.33 0.34 0.00 0.00 0.00 0.00 175.10 175.33 1aq6 s ALA 191 N 1.60 3.39 -0.81 5.51 0.00 0.11 -4.29 121.76 127.27 1aq6 s ALA 191 Ca 0.03 -2.54 0.25 0.00 0.00 0.00 0.00 51.96 49.70 1aq6 s ALA 191 Cb -0.20 -2.82 0.49 0.00 0.00 0.00 0.00 23.12 20.60 1aq6 s ALA 191 CO 0.07 -1.91 1.42 0.54 0.00 0.00 0.00 175.76 175.89 1aq6 n ARG 192 N 4.89 0.16 -3.93 0.00 1.74 -1.26 -4.29 116.66 113.97 1aq6 n ARG 192 Ca -0.08 0.05 -0.34 0.00 -0.77 0.00 0.00 57.85 56.71 1aq6 n ARG 192 Cb 0.41 -1.60 -0.14 0.00 -1.02 0.00 0.00 32.46 30.11 1aq6 n ARG 192 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1aq6 s LEU 193 N -3.67 3.99 0.28 0.55 2.96 -1.26 -5.09 118.68 116.45 1aq6 s LEU 193 Ca 0.09 -1.40 -0.30 0.00 -0.22 0.00 0.00 54.13 52.29 1aq6 s LEU 193 Cb 0.15 -1.69 -0.12 0.00 0.50 0.00 0.00 46.19 45.03 1aq6 s LEU 193 CO 0.69 -0.28 1.63 -1.20 -1.32 0.00 0.00 176.35 175.87 1aq6 n SER 194 N 4.57 3.93 -0.26 3.68 7.64 -1.26 -4.88 113.62 127.04 1aq6 n SER 194 Ca -0.11 1.13 0.03 0.00 1.01 0.00 0.00 58.87 60.92 1aq6 n SER 194 Cb 0.43 -1.60 0.16 0.00 -1.01 0.00 0.00 64.21 62.19 1aq6 n SER 194 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 1aq6 h GLN 195 N 5.17 0.63 -0.56 1.43 4.20 -1.98 -2.03 115.11 121.98 1aq6 h GLN 195 Ca -0.46 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.21 1aq6 h GLN 195 Cb 1.22 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 28.83 1aq6 h GLN 195 CO 0.82 0.42 0.35 1.05 -0.67 0.00 0.00 178.83 180.80 1aq6 h GLU 196 N 0.65 0.74 -0.29 1.46 9.09 -2.00 -0.13 114.58 124.11 1aq6 h GLU 196 Ca 0.38 -0.05 -0.12 0.00 0.05 0.00 0.00 59.36 59.61 1aq6 h GLU 196 Cb 0.41 -0.16 -0.00 0.00 -1.65 0.00 0.00 28.75 27.34 1aq6 h GLU 196 CO -0.28 0.51 -0.28 0.00 0.05 0.00 0.00 179.01 179.02 1aq6 h ALA 197 N 1.62 0.42 -0.42 1.06 0.00 -1.75 -2.59 119.26 117.59 1aq6 h ALA 197 Ca 0.20 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1aq6 h ALA 197 Cb -0.05 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1aq6 h ALA 197 CO -0.04 0.43 0.15 1.25 0.00 0.00 0.00 179.25 181.03 1aq6 h LEU 198 N 0.44 0.60 -0.45 0.00 5.85 -1.21 0.13 115.31 120.67 1aq6 h LEU 198 Ca 0.05 -0.19 0.06 0.00 0.84 0.00 0.00 57.88 58.63 1aq6 h LEU 198 Cb 0.84 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.67 1aq6 h LEU 198 CO 0.07 0.63 0.15 0.00 -0.34 0.00 0.00 178.44 178.95 1aq6 h ALA 199 N 0.99 0.53 -0.32 1.25 0.00 -0.94 -0.99 119.26 119.79 1aq6 h ALA 199 Ca 0.14 0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.97 1aq6 h ALA 199 Cb 0.23 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1aq6 h ALA 199 CO -0.01 -0.24 -0.36 0.00 0.00 0.00 0.00 179.25 178.64 1aq6 h ARG 200 N 0.32 0.72 -0.74 0.00 3.08 -1.22 -2.37 114.38 114.17 1aq6 h ARG 200 Ca 0.21 -0.36 0.01 0.00 0.07 0.00 0.00 59.98 59.92 1aq6 h ARG 200 Cb 0.21 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.22 1aq6 h ARG 200 CO -0.22 0.97 0.49 1.49 -1.07 0.00 0.00 179.97 181.63 1aq6 h GLU 201 N 0.60 0.96 0.00 0.04 4.81 -0.36 -1.92 114.58 118.72 1aq6 h GLU 201 Ca 0.06 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.18 1aq6 h GLU 201 Cb 0.89 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 30.05 1aq6 h GLU 201 CO 0.08 0.64 -0.22 -0.07 -0.73 0.00 0.00 179.01 178.70 1aq6 h LEU 202 N 0.99 0.00 -0.32 1.64 3.38 -0.99 -2.93 115.31 117.08 1aq6 h LEU 202 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1aq6 h LEU 202 Cb -0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1aq6 h LEU 202 CO -0.07 0.22 -0.34 0.55 0.09 0.00 0.00 178.44 178.90 1aq6 n VAL 203 N -3.61 0.00 -2.95 1.22 3.14 -0.77 -4.82 118.33 110.54 1aq6 n VAL 203 Ca -0.01 -0.08 -0.43 0.00 -2.96 0.00 0.00 64.34 60.86 1aq6 n VAL 203 Cb 0.36 0.33 -0.05 0.00 -1.06 0.00 0.00 33.84 33.42 1aq6 n VAL 203 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 1aq6 s SER 204 N -2.67 6.34 0.00 6.55 1.04 -0.88 -4.96 113.70 119.12 1aq6 s SER 204 Ca 0.20 -0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.26 1aq6 s SER 204 Cb 0.19 -2.39 0.00 0.00 0.10 0.00 0.00 66.02 63.92 1aq6 s SER 204 CO 0.58 -1.04 0.00 0.61 0.98 0.00 0.00 173.24 174.37 1aq6 n GLY 205 N 5.08 0.00 3.67 7.32 0.00 -1.26 -4.36 105.19 115.64 1aq6 n GLY 205 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1aq6 n GLY 205 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1aq6 s THR 206 N 0.00 3.06 -0.68 2.61 -1.32 -1.26 -4.98 115.64 113.08 1aq6 s THR 206 Ca 0.00 0.31 -0.13 0.00 -1.21 0.00 0.00 61.69 60.66 1aq6 s THR 206 Cb 0.00 -3.20 0.18 0.00 -1.51 0.00 0.00 72.50 67.97 1aq6 s THR 206 CO 0.00 -0.02 0.61 -0.63 -2.21 0.00 0.00 174.62 172.37 1aq6 s ILE 207 N 3.56 5.15 0.87 5.08 1.01 -1.26 -4.96 121.20 130.64 1aq6 s ILE 207 Ca 0.80 -2.15 -0.11 0.00 0.00 0.00 0.00 60.65 59.19 1aq6 s ILE 207 Cb -0.40 -4.25 0.11 0.00 0.01 0.00 0.00 42.46 37.93 1aq6 s ILE 207 CO 0.35 -0.94 1.11 0.00 0.00 0.00 0.00 174.94 175.46 1aq6 s ALA 208 N 0.70 1.69 0.17 9.38 0.00 -1.26 -4.91 121.76 127.53 1aq6 s ALA 208 Ca 0.12 0.33 -0.15 0.00 0.00 0.00 0.00 51.96 52.26 1aq6 s ALA 208 Cb -0.19 -3.33 0.08 0.00 0.00 0.00 0.00 23.12 19.68 1aq6 s ALA 208 CO -0.04 -2.36 1.79 -1.35 0.00 0.00 0.00 175.76 173.81 1aq6 h PRO 209 N -1.57 0.48 -0.48 0.00 0.11 -2.00 -2.62 132.00 125.92 1aq6 h PRO 209 Ca -0.45 -0.03 0.08 0.00 0.11 0.00 0.00 66.00 65.71 1aq6 h PRO 209 Cb 1.26 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 32.23 1aq6 h PRO 209 CO 0.48 0.32 0.33 1.25 -0.21 0.00 0.00 178.00 180.16 1aq6 h LEU 210 N 0.49 0.29 -0.62 2.35 5.85 -1.95 -0.67 115.31 121.06 1aq6 h LEU 210 Ca 0.18 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.78 1aq6 h LEU 210 Cb 0.05 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 1aq6 h LEU 210 CO -0.10 0.19 -0.25 0.74 -0.34 0.00 0.00 178.44 178.68 1aq6 h THR 211 N 0.33 1.27 -0.30 1.05 2.02 -1.84 -2.52 112.91 112.93 1aq6 h THR 211 Ca 0.22 -1.38 0.01 0.00 0.77 0.00 0.00 66.41 66.02 1aq6 h THR 211 Cb 0.43 1.22 -0.02 0.00 -1.74 0.00 0.00 68.15 68.05 1aq6 h THR 211 CO -0.05 0.46 0.19 -0.03 0.37 0.00 0.00 175.52 176.46 1aq6 h MET 212 N 0.71 0.37 -0.32 6.66 1.85 -0.96 0.11 114.93 123.36 1aq6 h MET 212 Ca 0.09 -0.02 -0.08 0.00 -0.61 0.00 0.00 59.70 59.08 1aq6 h MET 212 Cb 0.78 -0.08 -0.02 0.00 0.43 0.00 0.00 31.60 32.71 1aq6 h MET 212 CO 0.06 0.25 -0.13 0.74 -0.40 0.00 0.00 176.91 177.43 1aq6 h PHE 213 N 0.38 0.59 -0.54 1.39 0.04 -1.36 -1.22 116.94 116.23 1aq6 h PHE 213 Ca 0.11 -0.10 -0.05 0.00 2.80 0.00 0.00 57.97 60.73 1aq6 h PHE 213 Cb -0.03 -0.16 -0.02 0.00 2.20 0.00 0.00 35.95 37.94 1aq6 h PHE 213 CO -0.06 0.66 0.13 0.87 -0.60 0.00 0.00 178.31 179.30 1aq6 h LYS 214 N 0.50 0.86 0.00 1.51 1.57 -1.22 0.18 116.57 119.98 1aq6 h LYS 214 Ca 0.09 -0.21 -0.06 0.00 -1.87 0.00 0.00 60.65 58.60 1aq6 h LYS 214 Cb 0.52 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 1aq6 h LYS 214 CO 0.03 0.81 -0.31 0.00 -0.57 0.00 0.00 179.45 179.42 1aq6 h ALA 215 N 1.01 1.41 0.00 3.86 0.00 -0.48 -1.70 119.26 123.36 1aq6 h ALA 215 Ca 0.17 -0.28 -0.20 0.00 0.00 0.00 0.00 54.91 54.60 1aq6 h ALA 215 Cb 0.34 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1aq6 h ALA 215 CO 0.00 0.38 -1.16 -0.07 0.00 0.00 0.00 179.25 178.40 1aq6 h LEU 216 N 0.00 0.00 0.00 0.00 3.38 -0.52 -3.43 115.31 114.74 1aq6 h LEU 216 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1aq6 h LEU 216 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1aq6 h LEU 216 CO 0.04 0.80 -0.02 0.54 0.09 0.00 0.00 178.44 179.89 1aq6 n ARG 217 N -3.14 6.52 -0.63 1.13 5.12 -0.01 -4.85 116.66 120.79 1aq6 n ARG 217 Ca -0.06 0.00 0.07 0.00 -1.93 0.00 0.00 57.85 55.93 1aq6 n ARG 217 Cb 0.90 -0.48 0.31 0.00 -1.16 0.00 0.00 32.46 32.03 1aq6 n ARG 217 CO 0.00 0.00 0.00 -1.33 -1.93 0.00 0.00 177.63 174.37 1aq6 n MET 218 N -0.95 3.53 -4.52 5.56 2.81 -0.66 -4.55 117.12 118.34 1aq6 n MET 218 Ca 0.00 -2.97 -0.24 0.00 -1.81 0.00 0.00 57.70 52.68 1aq6 n MET 218 Cb 0.00 -2.00 -0.11 0.00 -0.71 0.00 0.00 33.22 30.41 1aq6 n MET 218 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1aq6 s ARG 219 N -2.84 1.78 0.34 0.03 1.81 -1.26 -4.73 118.95 114.07 1aq6 s ARG 219 Ca 0.47 -1.98 -0.28 0.00 -1.72 0.00 0.00 55.73 52.22 1aq6 s ARG 219 Cb 0.37 -1.28 -0.10 0.00 -0.45 0.00 0.00 34.95 33.49 1aq6 s ARG 219 CO 0.11 -0.08 1.25 -1.21 -0.68 0.00 0.00 175.30 174.69 1aq6 s GLU 220 N -3.78 4.32 0.04 3.54 2.02 -1.26 -4.19 118.70 119.38 1aq6 s GLU 220 Ca 0.35 2.08 -0.22 0.00 0.02 0.00 0.00 54.97 57.20 1aq6 s GLU 220 Cb 0.08 -3.00 -0.06 0.00 0.10 0.00 0.00 34.13 31.26 1aq6 s GLU 220 CO 0.16 -0.17 0.64 -1.21 0.02 0.00 0.00 175.26 174.70 1aq6 s GLU 221 N -1.86 4.35 0.42 1.61 0.41 -1.26 -4.98 118.70 117.39 1aq6 s GLU 221 Ca 0.50 0.84 0.12 0.00 -0.41 0.00 0.00 54.97 56.02 1aq6 s GLU 221 Cb -0.37 -3.32 0.90 0.00 -1.78 0.00 0.00 34.13 29.56 1aq6 s GLU 221 CO 0.48 0.43 1.96 1.15 -0.49 0.00 0.00 175.26 178.78 1aq6 h THR 222 N 3.93 1.15 0.00 3.63 2.02 -1.98 -2.04 112.91 119.62 1aq6 h THR 222 Ca -0.46 -0.69 0.00 0.00 0.77 0.00 0.00 66.41 66.03 1aq6 h THR 222 Cb 1.20 1.27 0.00 0.00 -1.74 0.00 0.00 68.15 68.88 1aq6 h THR 222 CO 0.68 0.21 0.00 0.10 0.37 0.00 0.00 175.52 176.88 1aq6 h TYR 223 N 0.11 0.00 -3.89 3.16 -0.00 -2.01 -3.47 116.97 110.88 1aq6 h TYR 223 Ca 0.02 0.00 -0.47 0.00 0.00 0.00 0.00 58.73 58.29 1aq6 h TYR 223 Cb 0.34 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.05 1aq6 h TYR 223 CO 0.00 0.00 0.22 0.00 -0.00 0.00 0.00 178.16 178.38 1aq6 s ALA 224 N -3.47 3.18 0.46 0.10 0.00 -0.77 -5.06 121.76 116.21 1aq6 s ALA 224 Ca 0.04 0.22 -0.23 0.00 0.00 0.00 0.00 51.96 51.99 1aq6 s ALA 224 Cb 0.08 -2.95 -0.07 0.00 0.00 0.00 0.00 23.12 20.17 1aq6 s ALA 224 CO 0.59 0.23 1.15 -1.21 0.00 0.00 0.00 175.76 176.52 1aq6 s GLU 225 N -3.07 3.76 0.52 0.00 2.02 -1.26 -4.93 118.70 115.73 1aq6 s GLU 225 Ca 0.58 1.73 -0.21 0.00 0.02 0.00 0.00 54.97 57.09 1aq6 s GLU 225 Cb -0.10 -2.38 -0.06 0.00 0.10 0.00 0.00 34.13 31.69 1aq6 s GLU 225 CO 0.15 -0.54 1.18 0.00 0.02 0.00 0.00 175.26 176.07 1aq6 s ALA 226 N -1.58 2.80 0.67 5.21 0.00 -1.26 -4.63 121.76 122.96 1aq6 s ALA 226 Ca 0.64 0.95 -0.16 0.00 0.00 0.00 0.00 51.96 53.39 1aq6 s ALA 226 Cb -0.27 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.45 1aq6 s ALA 226 CO 0.33 -0.84 1.16 -1.25 0.00 0.00 0.00 175.76 175.16 1aq6 s PRO 227 N -3.01 2.63 0.13 0.00 0.04 -1.26 -4.94 135.00 128.59 1aq6 s PRO 227 Ca 0.70 1.60 -0.15 0.00 0.04 0.00 0.00 61.00 63.19 1aq6 s PRO 227 Cb -0.28 -1.91 -0.00 0.00 0.04 0.00 0.00 34.50 32.34 1aq6 s PRO 227 CO 0.33 -1.43 1.66 -0.44 0.04 0.00 0.00 177.00 177.16 1aq6 h ASP 228 N 0.13 0.60 -4.17 6.66 5.19 -1.58 -3.45 116.42 119.79 1aq6 h ASP 228 Ca -0.48 -0.20 -0.43 0.00 -0.62 0.00 0.00 57.03 55.30 1aq6 h ASP 228 Cb 1.27 -0.16 -0.19 0.00 0.18 0.00 0.00 39.33 40.43 1aq6 h ASP 228 CO 0.53 0.65 -0.77 -0.36 -3.12 0.00 0.00 179.24 176.16 1aq6 s PHE 229 N -5.41 1.39 -0.07 4.55 0.08 -0.75 -5.02 117.98 112.75 1aq6 s PHE 229 Ca -0.13 -0.51 -0.01 0.00 0.12 0.00 0.00 56.93 56.39 1aq6 s PHE 229 Cb 0.10 -0.75 0.03 0.00 -0.57 0.00 0.00 43.02 41.83 1aq6 s PHE 229 CO 0.76 0.13 -0.02 0.08 -0.10 0.00 0.00 175.22 176.08 1aq6 s VAL 230 N -1.81 0.49 0.22 -0.44 1.01 -1.26 -0.36 120.40 118.26 1aq6 s VAL 230 Ca 0.06 0.03 0.11 0.00 0.00 0.00 0.00 61.98 62.19 1aq6 s VAL 230 Cb -0.07 -0.61 -0.05 0.00 0.00 0.00 0.00 36.38 35.65 1aq6 s VAL 230 CO 0.03 0.27 -0.21 0.68 0.00 0.00 0.00 175.10 175.87 1aq6 s VAL 231 N 1.82 2.47 -0.61 2.92 -7.23 -0.35 -4.95 120.40 114.47 1aq6 s VAL 231 Ca 0.03 -2.12 0.25 0.00 -1.81 0.00 0.00 61.98 58.34 1aq6 s VAL 231 Cb -0.12 -2.23 0.25 0.00 0.56 0.00 0.00 36.38 34.84 1aq6 s VAL 231 CO -0.05 -0.21 1.62 1.55 -0.31 0.00 0.00 175.10 177.70 1aq6 h PRO 232 N 2.88 0.00 -3.12 4.82 0.13 -1.86 0.34 132.00 135.18 1aq6 h PRO 232 Ca -0.44 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.64 1aq6 h PRO 232 Cb 1.22 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.22 1aq6 h PRO 232 CO 0.52 0.00 0.01 0.00 -0.23 0.00 0.00 178.00 178.30 1aq6 s ALA 233 N -3.15 -1.18 0.38 -0.56 0.00 -1.26 -4.34 121.76 111.65 1aq6 s ALA 233 Ca 0.08 0.26 0.05 0.00 0.00 0.00 0.00 51.96 52.35 1aq6 s ALA 233 Cb 0.10 0.62 0.76 0.00 0.00 0.00 0.00 23.12 24.61 1aq6 s ALA 233 CO 0.65 -0.62 2.03 -0.07 0.00 0.00 0.00 175.76 177.75 1aq6 h LEU 234 N 2.45 0.57 -2.53 0.00 3.38 -1.91 -2.66 115.31 114.61 1aq6 h LEU 234 Ca -0.33 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.62 1aq6 h LEU 234 Cb 1.25 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.86 1aq6 h LEU 234 CO 0.43 0.42 -0.02 1.23 0.09 0.00 0.00 178.44 180.60 1aq6 h GLY 235 N 0.68 0.00 1.70 0.83 0.00 -1.96 -0.97 103.07 103.35 1aq6 h GLY 235 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.51 1aq6 h GLY 235 CO -0.04 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.72 1aq6 n ASP 236 N -3.56 0.00 0.12 0.19 8.00 -1.00 -4.32 116.55 115.98 1aq6 n ASP 236 Ca -0.03 0.06 -0.13 0.00 0.71 0.00 0.00 54.79 55.40 1aq6 n ASP 236 Cb 0.11 -0.35 -0.08 0.00 -0.02 0.00 0.00 41.12 40.77 1aq6 n ASP 236 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1aq6 h LEU 237 N 0.00 -0.25 -0.62 0.64 3.38 -1.33 -1.79 115.31 115.34 1aq6 h LEU 237 Ca 0.00 -0.17 0.13 0.00 0.09 0.00 0.00 57.88 57.93 1aq6 h LEU 237 Cb 0.34 0.07 -0.10 0.00 0.09 0.00 0.00 40.66 41.06 1aq6 h LEU 237 CO 0.00 0.03 0.07 -0.65 0.09 0.00 0.00 178.44 177.98 1aq6 h PRO 238 N -0.55 0.18 -0.12 1.13 0.11 -1.79 0.22 132.00 131.18 1aq6 h PRO 238 Ca -0.03 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.99 1aq6 h PRO 238 Cb 0.41 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.46 1aq6 h PRO 238 CO 0.05 0.12 -0.28 -0.09 -0.21 0.00 0.00 178.00 177.59 1aq6 h ARG 239 N 0.18 0.22 -0.46 1.05 2.43 -1.82 -1.84 114.38 114.14 1aq6 h ARG 239 Ca 0.33 -0.08 -0.08 0.00 -0.81 0.00 0.00 59.98 59.34 1aq6 h ARG 239 Cb 0.53 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.05 1aq6 h ARG 239 CO -0.48 0.49 -0.03 1.25 -1.51 0.00 0.00 179.97 179.68 1aq6 h LEU 240 N 0.20 0.83 -0.67 3.80 5.85 0.21 -2.77 115.31 122.76 1aq6 h LEU 240 Ca 0.03 -0.32 -0.11 0.00 0.84 0.00 0.00 57.88 58.31 1aq6 h LEU 240 Cb 0.61 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 1aq6 h LEU 240 CO 0.04 0.96 -0.18 0.58 -0.34 0.00 0.00 178.44 179.50 1aq6 h VAL 241 N 0.69 1.27 0.36 1.05 2.07 -0.36 -1.64 116.25 119.69 1aq6 h VAL 241 Ca 0.13 -1.30 -0.00 0.00 0.82 0.00 0.00 66.70 66.34 1aq6 h VAL 241 Cb 0.55 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.43 1aq6 h VAL 241 CO 0.03 0.44 -0.44 0.03 0.02 0.00 0.00 177.57 177.65 1aq6 h ARG 242 N 0.73 -0.81 0.00 1.57 2.47 -1.24 -3.37 114.38 113.74 1aq6 h ARG 242 Ca 0.11 0.06 0.00 0.00 -1.26 0.00 0.00 59.98 58.88 1aq6 h ARG 242 Cb 0.71 0.18 0.00 0.00 -1.65 0.00 0.00 29.97 29.21 1aq6 h ARG 242 CO 0.05 -0.54 -0.05 0.41 0.56 0.00 0.00 179.97 180.40 1aq6 n GLY 243 N -1.51 4.39 3.25 0.04 0.00 -1.05 -5.04 105.19 105.26 1aq6 n GLY 243 Ca -0.10 -1.00 -0.33 0.00 0.00 0.00 0.00 46.02 44.58 1aq6 n GLY 243 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1aq6 s MET 244 N -2.55 3.21 0.00 1.61 -1.94 -0.62 -5.07 119.30 113.94 1aq6 s MET 244 Ca 0.28 -0.74 0.00 0.00 -1.71 0.00 0.00 55.69 53.52 1aq6 s MET 244 Cb 0.25 -2.69 0.00 0.00 2.01 0.00 0.00 34.83 34.40 1aq6 s MET 244 CO 0.03 -0.06 0.00 0.00 -0.01 0.00 0.00 175.02 174.97