#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i6f s SER 2 N 0.00 6.53 -0.23 3.17 1.04 -1.26 -4.88 113.70 118.08 2i6f s SER 2 Ca 0.00 2.59 -0.07 0.00 0.48 0.00 0.00 55.95 58.94 2i6f s SER 2 Cb 0.00 -2.64 -0.03 0.00 0.10 0.00 0.00 66.02 63.45 2i6f s SER 2 CO 0.00 -0.69 0.07 -0.54 0.98 0.00 0.00 173.24 173.06 2i6f s LYS 3 N -2.08 3.77 -0.13 4.02 1.02 -1.26 -5.02 119.74 120.06 2i6f s LYS 3 Ca 0.54 -0.43 -0.05 0.00 0.02 0.00 0.00 55.97 56.05 2i6f s LYS 3 Cb -0.37 -3.30 -0.04 0.00 -0.52 0.00 0.00 37.83 33.61 2i6f s LYS 3 CO 0.48 -0.03 0.04 0.15 -0.92 0.00 0.00 175.35 175.07 2i6f s LYS 4 N 1.19 3.47 -0.03 1.68 3.01 -1.26 -1.87 119.74 125.93 2i6f s LYS 4 Ca 0.05 -0.35 0.05 0.00 -1.01 0.00 0.00 55.97 54.70 2i6f s LYS 4 Cb -0.14 -3.01 -0.01 0.00 -1.01 0.00 0.00 37.83 33.66 2i6f s LYS 4 CO 0.03 0.52 -0.18 0.42 0.51 0.00 0.00 175.35 176.65 2i6f s ILE 5 N -0.35 1.46 -0.14 2.17 1.01 0.08 0.16 121.20 125.59 2i6f s ILE 5 Ca 0.08 -0.76 -0.02 0.00 0.00 0.00 0.00 60.65 59.96 2i6f s ILE 5 Cb -0.12 -1.23 -0.02 0.00 0.01 0.00 0.00 42.46 41.10 2i6f s ILE 5 CO 0.02 0.42 -0.10 -0.22 0.00 0.00 0.00 174.94 175.06 2i6f s LEU 6 N -0.20 2.89 -0.33 2.97 2.96 -0.58 -1.07 118.68 125.32 2i6f s LEU 6 Ca 0.02 -0.27 -0.11 0.00 -0.22 0.00 0.00 54.13 53.55 2i6f s LEU 6 Cb -0.09 -1.67 -0.01 0.00 0.50 0.00 0.00 46.19 44.92 2i6f s LEU 6 CO 0.01 0.15 0.19 -0.63 -1.32 0.00 0.00 176.35 174.75 2i6f s ILE 7 N 0.44 4.81 -0.52 6.68 1.01 -0.25 -0.48 121.20 132.89 2i6f s ILE 7 Ca -0.07 -0.41 -0.17 0.00 0.00 0.00 0.00 60.65 60.00 2i6f s ILE 7 Cb -0.15 -3.49 0.09 0.00 0.01 0.00 0.00 42.46 38.92 2i6f s ILE 7 CO 0.04 0.01 0.52 -0.69 0.00 0.00 0.00 174.94 174.82 2i6f s VAL 8 N 1.64 5.09 -0.30 2.92 1.01 0.14 -1.13 120.40 129.78 2i6f s VAL 8 Ca 0.05 -1.09 -0.13 0.00 0.00 0.00 0.00 61.98 60.81 2i6f s VAL 8 Cb -0.17 -4.29 0.14 0.00 0.00 0.00 0.00 36.38 32.06 2i6f s VAL 8 CO 0.08 -0.81 0.81 -0.70 0.00 0.00 0.00 175.10 174.47 2i6f s GLU 9 N 1.99 0.47 0.06 2.72 2.56 -0.41 -1.45 118.70 124.64 2i6f s GLU 9 Ca 0.07 1.10 0.25 0.00 0.00 0.00 0.00 54.97 56.40 2i6f s GLU 9 Cb -0.25 0.58 0.60 0.00 2.00 0.00 0.00 34.13 37.05 2i6f s GLU 9 CO 0.06 -0.15 1.50 -1.13 -0.56 0.00 0.00 175.26 174.98 2i6f n SER 10 N 5.01 0.51 -4.56 -1.70 3.41 -1.26 -4.13 113.62 110.91 2i6f n SER 10 Ca -0.12 0.08 -0.36 0.00 -0.26 0.00 0.00 58.87 58.21 2i6f n SER 10 Cb 0.52 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.44 2i6f n SER 10 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2i6f s ASP 11 N -3.57 5.87 0.37 4.04 -1.08 -1.26 -4.84 116.67 116.20 2i6f s ASP 11 Ca 0.10 -0.90 0.14 0.00 -0.52 0.00 0.00 52.55 51.37 2i6f s ASP 11 Cb 0.16 -2.56 0.74 0.00 -1.46 0.00 0.00 42.92 39.80 2i6f s ASP 11 CO 0.67 -2.07 1.82 0.71 0.52 0.00 0.00 175.17 176.83 2i6f h THR 12 N 6.88 1.21 0.10 1.71 1.35 -1.99 -0.98 112.91 121.20 2i6f h THR 12 Ca 0.07 -1.29 -0.00 0.00 -0.55 0.00 0.00 66.41 64.63 2i6f h THR 12 Cb 1.03 1.71 0.00 0.00 -1.73 0.00 0.00 68.15 69.15 2i6f h THR 12 CO 1.32 0.36 -0.05 0.00 -0.25 0.00 0.00 175.52 176.90 2i6f h ALA 13 N 1.63 -0.13 -0.21 6.62 0.00 -1.97 -1.52 119.26 123.69 2i6f h ALA 13 Ca -0.00 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 2i6f h ALA 13 Cb 0.68 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2i6f h ALA 13 CO 0.05 -0.48 0.12 1.25 0.00 0.00 0.00 179.25 180.18 2i6f h LEU 14 N -0.31 0.26 -0.87 0.00 5.85 -1.93 -2.60 115.31 115.72 2i6f h LEU 14 Ca -0.01 -0.08 0.09 0.00 0.84 0.00 0.00 57.88 58.71 2i6f h LEU 14 Cb 0.26 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.16 2i6f h LEU 14 CO 0.02 0.27 0.52 -1.28 -0.34 0.00 0.00 178.44 177.63 2i6f h SER 15 N 0.23 0.78 -0.61 1.25 0.87 -1.14 -0.44 113.55 114.50 2i6f h SER 15 Ca 0.07 0.04 -0.03 0.00 -1.23 0.00 0.00 61.79 60.64 2i6f h SER 15 Cb 0.07 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 61.88 2i6f h SER 15 CO -0.01 0.46 0.26 0.00 -0.53 0.00 0.00 176.83 177.01 2i6f h ALA 16 N 1.45 0.79 0.04 6.23 0.00 -1.15 0.34 119.26 126.96 2i6f h ALA 16 Ca 0.40 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 2i6f h ALA 16 Cb 0.30 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2i6f h ALA 16 CO -0.22 0.39 -0.02 1.15 0.00 0.00 0.00 179.25 180.55 2i6f h THR 17 N 0.85 1.01 -0.73 0.00 2.02 -0.92 -1.38 112.91 113.76 2i6f h THR 17 Ca 0.21 -0.15 -0.00 0.00 0.77 0.00 0.00 66.41 67.23 2i6f h THR 17 Cb 0.18 1.11 -0.04 0.00 -1.74 0.00 0.00 68.15 67.67 2i6f h THR 17 CO -0.02 0.04 0.45 -0.07 0.37 0.00 0.00 175.52 176.29 2i6f h LEU 18 N -0.12 0.87 0.03 2.58 3.38 -1.02 -2.59 115.31 118.44 2i6f h LEU 18 Ca -0.01 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 57.91 2i6f h LEU 18 Cb 0.11 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 2i6f h LEU 18 CO 0.01 0.67 -0.05 -0.09 0.09 0.00 0.00 178.44 179.07 2i6f h ARG 19 N 0.99 -0.10 -0.73 1.13 2.43 -0.76 -1.76 114.38 115.59 2i6f h ARG 19 Ca 0.26 0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.50 2i6f h ARG 19 Cb -0.05 0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 29.47 2i6f h ARG 19 CO -0.05 -0.06 0.43 0.77 -1.51 0.00 0.00 179.97 179.54 2i6f h SER 20 N -0.10 0.66 -0.37 -3.80 0.02 -1.11 0.18 113.55 109.02 2i6f h SER 20 Ca 0.01 0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 60.94 2i6f h SER 20 Cb 0.11 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 2i6f h SER 20 CO -0.03 0.42 0.07 0.00 -1.14 0.00 0.00 176.83 176.15 2i6f h ALA 21 N 1.36 0.49 -0.32 3.77 0.00 -1.32 0.78 119.26 124.02 2i6f h ALA 21 Ca 0.32 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 2i6f h ALA 21 Cb 0.17 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2i6f h ALA 21 CO -0.17 0.19 -0.05 -0.07 0.00 0.00 0.00 179.25 179.15 2i6f h LEU 22 N 0.45 0.59 -1.09 0.00 3.38 -0.97 -2.89 115.31 114.77 2i6f h LEU 22 Ca 0.11 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 57.72 2i6f h LEU 22 Cb 0.35 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 2i6f h LEU 22 CO 0.01 0.80 0.39 -0.33 0.09 0.00 0.00 178.44 179.39 2i6f h GLU 23 N 0.37 1.02 -0.70 1.13 5.08 -0.61 -1.97 114.58 118.90 2i6f h GLU 23 Ca 0.08 -0.12 0.12 0.00 -1.00 0.00 0.00 59.36 58.44 2i6f h GLU 23 Cb 0.52 -0.20 -0.05 0.00 0.50 0.00 0.00 28.75 29.53 2i6f h GLU 23 CO 0.03 0.76 0.47 0.78 -1.00 0.00 0.00 179.01 180.04 2i6f h GLY 24 N 1.07 0.73 1.81 -3.84 0.00 -0.68 -0.25 103.07 101.91 2i6f h GLY 24 Ca 0.26 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.39 2i6f h GLY 24 CO -0.04 0.10 -0.12 -2.13 0.00 0.00 0.00 176.54 174.35 2i6f n ARG 25 N -4.48 0.13 0.00 4.80 3.00 -0.79 -4.93 116.66 114.39 2i6f n ARG 25 Ca 0.12 0.09 0.00 0.00 -0.00 0.00 0.00 57.85 58.06 2i6f n ARG 25 Cb 0.42 -1.64 0.00 0.00 0.00 0.00 0.00 32.46 31.25 2i6f n ARG 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2i6f n GLY 26 N 1.41 1.00 3.78 5.14 0.00 -0.10 -4.45 105.19 111.96 2i6f n GLY 26 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 2i6f n GLY 26 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2i6f s PHE 27 N -2.00 3.24 -0.04 1.61 0.08 -0.90 -4.75 117.98 115.22 2i6f s PHE 27 Ca 0.00 1.63 -0.24 0.00 0.12 0.00 0.00 56.93 58.44 2i6f s PHE 27 Cb 0.00 -3.22 -0.04 0.00 -0.57 0.00 0.00 43.02 39.19 2i6f s PHE 27 CO 0.00 -0.82 0.73 0.99 -0.10 0.00 0.00 175.22 176.02 2i6f s THR 28 N -1.54 4.97 -0.06 0.64 2.01 -0.78 -4.02 115.64 116.85 2i6f s THR 28 Ca 0.56 1.51 0.02 0.00 0.31 0.00 0.00 61.69 64.10 2i6f s THR 28 Cb -0.25 -4.07 0.02 0.00 0.01 0.00 0.00 72.50 68.20 2i6f s THR 28 CO 0.32 0.28 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.74 2i6f s VAL 29 N 0.60 0.91 0.24 3.82 1.01 -1.26 -0.74 120.40 124.98 2i6f s VAL 29 Ca 0.38 -0.34 0.10 0.00 0.00 0.00 0.00 61.98 62.12 2i6f s VAL 29 Cb -0.18 -0.86 -0.04 0.00 0.00 0.00 0.00 36.38 35.29 2i6f s VAL 29 CO 0.20 0.31 -0.06 -0.62 0.00 0.00 0.00 175.10 174.92 2i6f s ASP 30 N 0.79 4.32 0.01 3.32 -1.08 -0.23 -4.99 116.67 118.81 2i6f s ASP 30 Ca -0.13 -0.68 0.04 0.00 -0.52 0.00 0.00 52.55 51.27 2i6f s ASP 30 Cb -0.15 -0.73 -0.01 0.00 -1.46 0.00 0.00 42.92 40.56 2i6f s ASP 30 CO 0.02 0.04 -0.13 -1.61 0.52 0.00 0.00 175.17 174.01 2i6f s GLU 31 N -3.40 0.97 -0.04 4.34 2.02 -1.26 -1.09 118.70 120.24 2i6f s GLU 31 Ca 0.29 -0.56 -0.04 0.00 0.02 0.00 0.00 54.97 54.68 2i6f s GLU 31 Cb -0.07 -0.95 0.01 0.00 0.10 0.00 0.00 34.13 33.23 2i6f s GLU 31 CO 0.18 0.25 0.11 -0.08 0.02 0.00 0.00 175.26 175.73 2i6f s THR 32 N -0.51 -0.00 -1.61 3.63 -1.32 -0.28 -4.95 115.64 110.60 2i6f s THR 32 Ca 0.03 0.01 0.24 0.00 -1.21 0.00 0.00 61.69 60.77 2i6f s THR 32 Cb -0.06 -0.16 0.07 0.00 -1.51 0.00 0.00 72.50 70.85 2i6f s THR 32 CO 0.00 0.01 1.31 0.35 -2.21 0.00 0.00 174.62 174.08 2i6f n THR 33 N 3.10 0.00 -3.29 5.08 -2.24 -1.26 -1.29 114.28 114.38 2i6f n THR 33 Ca -0.13 -0.13 -0.46 0.00 -2.27 0.00 0.00 64.05 61.06 2i6f n THR 33 Cb 0.59 0.71 -0.05 0.00 -2.10 0.00 0.00 70.33 69.47 2i6f n THR 33 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2i6f s ASP 34 N -2.65 6.19 0.33 3.42 2.15 -1.26 -4.51 116.67 120.34 2i6f s ASP 34 Ca 0.18 -1.71 0.12 0.00 0.43 0.00 0.00 52.55 51.57 2i6f s ASP 34 Cb 0.18 -2.22 0.56 0.00 -0.30 0.00 0.00 42.92 41.14 2i6f s ASP 34 CO 0.61 -0.87 1.73 1.23 -0.17 0.00 0.00 175.17 177.70 2i6f h GLY 35 N 9.00 0.00 0.91 2.66 0.00 -1.89 -3.15 103.07 110.60 2i6f h GLY 35 Ca -0.30 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.05 2i6f h GLY 35 CO 1.03 0.00 0.30 1.70 0.00 0.00 0.00 176.54 179.57 2i6f h LYS 36 N 0.00 0.59 -0.22 4.80 3.64 -1.93 -2.69 116.57 120.76 2i6f h LYS 36 Ca -0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2i6f h LYS 36 Cb 0.86 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.55 2i6f h LYS 36 CO 0.06 0.39 0.00 0.41 -2.27 0.00 0.00 179.45 178.04 2i6f n GLY 37 N -1.24 0.72 0.29 5.01 0.00 -1.24 -4.58 105.19 104.16 2i6f n GLY 37 Ca 0.03 -0.52 -0.06 0.00 0.00 0.00 0.00 46.02 45.46 2i6f n GLY 37 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2i6f h SER 38 N 2.97 0.90 -0.38 1.61 4.64 -1.43 -1.51 113.55 120.36 2i6f h SER 38 Ca 0.00 -0.14 -0.03 0.00 -0.47 0.00 0.00 61.79 61.15 2i6f h SER 38 Cb 0.65 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.49 2i6f h SER 38 CO 0.00 0.79 0.13 0.58 -0.87 0.00 0.00 176.83 177.46 2i6f h VAL 39 N 0.96 1.21 -0.10 0.95 2.07 -1.81 -0.51 116.25 119.02 2i6f h VAL 39 Ca 0.23 -0.67 -0.12 0.00 0.82 0.00 0.00 66.70 66.96 2i6f h VAL 39 Cb 0.13 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 2i6f h VAL 39 CO -0.03 0.24 -0.46 -0.33 0.02 0.00 0.00 177.57 177.01 2i6f h GLU 40 N 0.47 0.24 -0.60 1.57 4.39 -1.86 -1.49 114.58 117.31 2i6f h GLU 40 Ca 0.12 -0.13 -0.05 0.00 0.34 0.00 0.00 59.36 59.65 2i6f h GLU 40 Cb 0.24 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.87 2i6f h GLU 40 CO -0.01 0.66 0.19 0.37 -1.16 0.00 0.00 179.01 179.06 2i6f h GLN 41 N 0.20 0.92 -0.76 2.33 4.15 -0.97 -0.76 115.11 120.22 2i6f h GLN 41 Ca 0.01 -0.20 -0.04 0.00 0.77 0.00 0.00 58.65 59.19 2i6f h GLN 41 Cb 0.90 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 28.42 2i6f h GLN 41 CO 0.07 0.82 0.31 0.82 -1.93 0.00 0.00 178.83 178.93 2i6f h ILE 42 N 0.84 1.25 -0.43 2.39 2.04 -0.88 0.87 117.51 123.60 2i6f h ILE 42 Ca 0.19 -0.79 -0.09 0.00 1.00 0.00 0.00 64.86 65.18 2i6f h ILE 42 Cb 0.28 0.35 -0.02 0.00 -0.74 0.00 0.00 36.82 36.69 2i6f h ILE 42 CO -0.01 0.32 -0.10 -0.09 0.00 0.00 0.00 178.15 178.27 2i6f h ARG 43 N 1.10 0.77 0.31 2.37 2.43 -1.03 0.11 114.38 120.44 2i6f h ARG 43 Ca 0.26 -0.25 -0.02 0.00 -0.81 0.00 0.00 59.98 59.16 2i6f h ARG 43 Cb 0.20 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 2i6f h ARG 43 CO -0.02 0.84 -0.15 0.00 -1.51 0.00 0.00 179.97 179.13 2i6f h ARG 44 N 0.70 -0.41 0.00 0.20 3.08 -0.86 -3.38 114.38 113.71 2i6f h ARG 44 Ca 0.12 0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.17 2i6f h ARG 44 Cb 0.57 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.71 2i6f h ARG 44 CO 0.04 -0.09 -0.71 -0.44 -1.07 0.00 0.00 179.97 177.69 2i6f h ASP 45 N -0.96 0.00 -5.96 7.04 3.32 -0.88 -3.49 116.42 115.49 2i6f h ASP 45 Ca -0.04 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.66 2i6f h ASP 45 Cb 0.50 0.00 0.11 0.00 0.22 0.00 0.00 39.33 40.16 2i6f h ASP 45 CO 0.07 0.12 -0.83 0.54 -1.72 0.00 0.00 179.24 177.42 2i6f n ARG 46 N -2.88 -1.52 -1.75 3.56 5.12 0.02 -4.96 116.66 114.26 2i6f n ARG 46 Ca 0.00 0.69 -0.34 0.00 -1.93 0.00 0.00 57.85 56.27 2i6f n ARG 46 Cb 0.60 -4.65 0.05 0.00 -1.16 0.00 0.00 32.46 27.30 2i6f n ARG 46 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 2i6f s PRO 47 N -5.19 2.70 0.43 5.56 0.04 -1.26 -4.94 135.00 132.34 2i6f s PRO 47 Ca 0.40 1.55 0.26 0.00 0.04 0.00 0.00 61.00 63.25 2i6f s PRO 47 Cb -0.11 -1.92 0.65 0.00 0.04 0.00 0.00 34.50 33.15 2i6f s PRO 47 CO 0.82 -1.36 1.72 -0.44 0.04 0.00 0.00 177.00 177.78 2i6f h ASP 48 N 0.15 0.00 -4.20 6.66 3.32 -0.65 -3.46 116.42 118.24 2i6f h ASP 48 Ca -0.48 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.49 2i6f h ASP 48 Cb 1.27 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.60 2i6f h ASP 48 CO 0.53 0.00 -0.05 -0.22 -1.72 0.00 0.00 179.24 177.78 2i6f s LEU 49 N -5.91 -0.08 -0.12 1.55 2.96 -1.03 -4.17 118.68 111.87 2i6f s LEU 49 Ca 0.06 0.95 0.01 0.00 -0.22 0.00 0.00 54.13 54.93 2i6f s LEU 49 Cb 0.07 1.92 -0.01 0.00 0.50 0.00 0.00 46.19 48.67 2i6f s LEU 49 CO 0.62 -0.28 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.51 2i6f s VAL 50 N -0.09 2.66 -0.31 1.68 1.01 -0.38 -1.53 120.40 123.43 2i6f s VAL 50 Ca -0.03 -0.80 -0.12 0.00 0.00 0.00 0.00 61.98 61.03 2i6f s VAL 50 Cb -0.03 -2.09 -0.03 0.00 0.00 0.00 0.00 36.38 34.23 2i6f s VAL 50 CO 0.02 0.54 0.21 -0.69 0.00 0.00 0.00 175.10 175.18 2i6f s VAL 51 N 0.41 5.23 -0.16 2.92 1.01 0.36 -0.45 120.40 129.72 2i6f s VAL 51 Ca -0.13 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 61.79 2i6f s VAL 51 Cb -0.17 -3.60 0.03 0.00 0.00 0.00 0.00 36.38 32.65 2i6f s VAL 51 CO 0.06 0.11 -0.12 -0.22 0.00 0.00 0.00 175.10 174.94 2i6f s LEU 52 N 1.73 1.80 0.42 3.92 2.96 0.39 0.26 118.68 130.16 2i6f s LEU 52 Ca 0.06 -0.60 -0.19 0.00 -0.22 0.00 0.00 54.13 53.18 2i6f s LEU 52 Cb -0.17 -1.14 -0.10 0.00 0.50 0.00 0.00 46.19 45.28 2i6f s LEU 52 CO 0.10 -0.10 0.91 0.00 -1.32 0.00 0.00 176.35 175.94 2i6f s ALA 53 N 1.50 3.10 -0.07 5.97 0.00 -0.53 -1.11 121.76 130.63 2i6f s ALA 53 Ca 0.03 0.30 -0.11 0.00 0.00 0.00 0.00 51.96 52.18 2i6f s ALA 53 Cb -0.14 -3.07 -0.07 0.00 0.00 0.00 0.00 23.12 19.84 2i6f s ALA 53 CO -0.09 0.12 0.42 0.28 0.00 0.00 0.00 175.76 176.48 2i6f h VAL 54 N 1.77 0.20 -2.38 0.00 2.07 -1.68 -3.11 116.25 113.12 2i6f h VAL 54 Ca -0.48 -0.91 -0.59 0.00 0.82 0.00 0.00 66.70 65.53 2i6f h VAL 54 Cb 1.18 0.35 -0.12 0.00 -1.52 0.00 0.00 31.29 31.18 2i6f h VAL 54 CO 0.62 0.06 0.86 -0.62 0.02 0.00 0.00 177.57 178.51 2i6f s ASP 55 N -5.30 6.22 0.33 0.57 2.15 -1.26 -1.00 116.67 118.38 2i6f s ASP 55 Ca -0.06 -0.87 0.08 0.00 0.43 0.00 0.00 52.55 52.13 2i6f s ASP 55 Cb 0.00 -2.49 -0.03 0.00 -0.30 0.00 0.00 42.92 40.10 2i6f s ASP 55 CO 0.20 -1.59 0.22 -0.76 -0.17 0.00 0.00 175.17 173.06 2i6f s LEU 56 N 4.77 3.46 0.79 -1.34 1.43 -1.12 -4.75 118.68 121.91 2i6f s LEU 56 Ca 0.30 -0.60 -0.12 0.00 -1.03 0.00 0.00 54.13 52.69 2i6f s LEU 56 Cb -0.11 -2.01 0.06 0.00 0.03 0.00 0.00 46.19 44.16 2i6f s LEU 56 CO 0.09 -0.30 1.10 -0.94 0.23 0.00 0.00 176.35 176.54 2i6f s SER 57 N -3.91 4.64 -1.46 2.29 1.04 -1.26 -3.80 113.70 111.23 2i6f s SER 57 Ca 0.39 1.22 -0.10 0.00 0.48 0.00 0.00 55.95 57.94 2i6f s SER 57 Cb -0.05 -1.94 0.05 0.00 0.10 0.00 0.00 66.02 64.18 2i6f s SER 57 CO 0.25 -1.86 0.83 0.00 0.98 0.00 0.00 173.24 173.43 2i6f n ALA 58 N -3.35 -1.16 -1.02 5.32 0.00 -1.26 -2.17 120.51 116.87 2i6f n ALA 58 Ca 0.07 0.24 -0.01 0.00 0.00 0.00 0.00 53.44 53.74 2i6f n ALA 58 Cb 0.57 -4.19 -0.00 0.00 0.00 0.00 0.00 19.45 15.82 2i6f n ALA 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2i6f n GLY 59 N -1.60 0.39 3.84 0.00 0.00 -1.26 -5.02 105.19 101.54 2i6f n GLY 59 Ca -0.01 -0.07 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 2i6f n GLY 59 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2i6f s GLN 60 N -0.85 4.02 -0.03 1.61 -1.52 -0.92 -5.02 119.66 116.94 2i6f s GLN 60 Ca 0.00 0.96 -0.00 0.00 -1.95 0.00 0.00 55.36 54.37 2i6f s GLN 60 Cb 0.00 -2.17 0.03 0.00 -0.22 0.00 0.00 33.01 30.65 2i6f s GLN 60 CO 0.00 -0.18 0.02 1.21 -0.25 0.00 0.00 175.29 176.10 2i6f s ASN 61 N -2.80 0.57 0.27 5.90 2.47 -1.26 -2.79 114.94 117.30 2i6f s ASN 61 Ca 0.59 0.02 -0.03 0.00 0.42 0.00 0.00 52.86 53.85 2i6f s ASN 61 Cb -0.10 -0.17 0.36 0.00 -1.45 0.00 0.00 41.25 39.90 2i6f s ASN 61 CO 0.26 -0.15 1.89 1.23 -3.72 0.00 0.00 177.10 176.61 2i6f h GLY 62 N 7.63 1.14 1.09 1.21 0.00 -0.99 -1.66 103.07 111.48 2i6f h GLY 62 Ca -0.35 -0.52 -0.04 0.00 0.00 0.00 0.00 47.33 46.43 2i6f h GLY 62 CO 0.38 0.49 0.36 -0.97 0.00 0.00 0.00 176.54 176.81 2i6f h TYR 63 N 1.07 1.18 -0.35 5.60 0.05 -1.84 0.13 116.97 122.81 2i6f h TYR 63 Ca 0.27 -0.07 -0.11 0.00 0.05 0.00 0.00 58.73 58.87 2i6f h TYR 63 Cb 0.04 -0.36 -0.01 0.00 1.01 0.00 0.00 36.73 37.41 2i6f h TYR 63 CO 0.01 0.87 -0.21 -0.07 -1.05 0.00 0.00 178.16 177.71 2i6f h LEU 64 N 1.16 0.79 -0.51 3.88 3.38 -1.83 -0.67 115.31 121.50 2i6f h LEU 64 Ca 0.27 -0.42 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 2i6f h LEU 64 Cb 0.15 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 2i6f h LEU 64 CO -0.03 1.04 0.18 0.40 0.09 0.00 0.00 178.44 180.11 2i6f h ILE 65 N 0.54 1.23 -0.87 1.22 2.04 -1.18 -2.25 117.51 118.23 2i6f h ILE 65 Ca 0.07 -0.74 0.05 0.00 1.00 0.00 0.00 64.86 65.24 2i6f h ILE 65 Cb 0.76 0.75 -0.06 0.00 -0.74 0.00 0.00 36.82 37.53 2i6f h ILE 65 CO 0.06 0.27 0.56 0.00 0.00 0.00 0.00 178.15 179.04 2i6f h GLY 67 N 1.06 0.34 1.03 0.00 0.00 -0.72 -0.62 103.07 104.16 2i6f h GLY 67 Ca 0.36 0.07 -0.05 0.00 0.00 0.00 0.00 47.33 47.71 2i6f h GLY 67 CO -0.14 -0.11 0.21 0.50 0.00 0.00 0.00 176.54 177.00 2i6f h LYS 68 N 0.07 1.04 -0.46 4.80 1.57 -0.87 -2.02 116.57 120.70 2i6f h LYS 68 Ca 0.18 -0.23 -0.05 0.00 -1.87 0.00 0.00 60.65 58.68 2i6f h LYS 68 Cb 0.27 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 2i6f h LYS 68 CO -0.33 0.91 0.08 -0.07 -0.57 0.00 0.00 179.45 179.46 2i6f h LEU 69 N 0.97 0.73 0.00 2.94 3.38 -0.99 -2.66 115.31 119.68 2i6f h LEU 69 Ca 0.21 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2i6f h LEU 69 Cb 0.30 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2i6f h LEU 69 CO -0.01 0.80 -0.09 0.29 0.09 0.00 0.00 178.44 179.53 2i6f n LYS 70 N -4.46 0.02 0.00 1.13 4.76 -0.27 -1.96 118.16 117.38 2i6f n LYS 70 Ca 0.01 0.01 0.12 0.00 -2.87 0.00 0.00 58.31 55.58 2i6f n LYS 70 Cb 0.24 -1.52 0.16 0.00 -1.84 0.00 0.00 35.03 32.07 2i6f n LYS 70 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2i6f n LYS 71 N -1.55 1.13 -3.11 1.97 5.02 -0.77 -4.77 118.16 116.09 2i6f n LYS 71 Ca 0.07 -0.85 -0.41 0.00 -2.02 0.00 0.00 58.31 55.10 2i6f n LYS 71 Cb 0.35 -1.48 -0.06 0.00 -0.02 0.00 0.00 35.03 33.81 2i6f n LYS 71 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2i6f s ASP 72 N -2.45 6.50 0.40 4.39 -1.08 -1.01 -4.96 116.67 118.46 2i6f s ASP 72 Ca 0.22 0.44 0.11 0.00 -0.52 0.00 0.00 52.55 52.80 2i6f s ASP 72 Cb 0.19 -2.33 0.91 0.00 -1.46 0.00 0.00 42.92 40.23 2i6f s ASP 72 CO 0.54 -0.48 1.94 0.44 0.52 0.00 0.00 175.17 178.12 2i6f h ASP 73 N 8.18 0.51 0.06 -0.34 5.19 -1.90 0.27 116.42 128.39 2i6f h ASP 73 Ca -0.27 0.02 -0.15 0.00 -0.62 0.00 0.00 57.03 56.01 2i6f h ASP 73 Cb 1.12 -0.09 0.02 0.00 0.18 0.00 0.00 39.33 40.55 2i6f h ASP 73 CO 0.80 0.29 -0.64 0.44 -3.12 0.00 0.00 179.24 177.01 2i6f h ASP 74 N 0.56 0.46 0.34 6.45 5.19 -1.92 -3.39 116.42 124.11 2i6f h ASP 74 Ca 0.35 -0.86 0.00 0.00 -0.62 0.00 0.00 57.03 55.90 2i6f h ASP 74 Cb 0.58 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 39.95 2i6f h ASP 74 CO -0.12 1.27 -0.81 0.18 -3.12 0.00 0.00 179.24 176.63 2i6f n LEU 75 N -4.22 0.67 0.18 1.55 4.77 -0.85 -4.25 117.00 114.86 2i6f n LEU 75 Ca -0.12 -0.14 0.13 0.00 -0.03 0.00 0.00 56.01 55.85 2i6f n LEU 75 Cb 0.72 -0.13 0.65 0.00 -2.33 0.00 0.00 43.42 42.33 2i6f n LEU 75 CO 0.46 0.13 0.89 0.07 -1.33 0.00 0.00 177.39 177.62 2i6f h LYS 76 N 0.00 0.00 0.00 3.23 2.10 0.19 -2.03 116.57 120.06 2i6f h LYS 76 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2i6f h LYS 76 Cb 0.58 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.91 2i6f h LYS 76 CO 0.00 0.00 -0.35 0.09 -2.00 0.00 0.00 179.45 177.19 2i6f n ASN 77 N -2.41 0.67 -4.65 7.07 3.02 -1.26 -4.83 115.26 112.87 2i6f n ASN 77 Ca -0.01 0.28 -0.43 0.00 -0.03 0.00 0.00 54.58 54.39 2i6f n ASN 77 Cb 0.10 -0.22 -0.02 0.00 -0.61 0.00 0.00 39.78 39.03 2i6f n ASN 77 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2i6f s VAL 78 N -3.12 4.24 0.22 2.41 1.01 -0.76 -4.97 120.40 119.43 2i6f s VAL 78 Ca 0.09 1.47 -0.32 0.00 0.00 0.00 0.00 61.98 63.21 2i6f s VAL 78 Cb 0.14 -4.05 -0.13 0.00 0.00 0.00 0.00 36.38 32.34 2i6f s VAL 78 CO 0.66 -0.25 1.58 -2.65 0.00 0.00 0.00 175.10 174.44 2i6f n PRO 79 N 6.85 2.40 -5.01 2.72 -0.02 -1.26 -4.88 135.00 135.80 2i6f n PRO 79 Ca 0.14 0.86 -0.32 0.00 -2.02 0.00 0.00 63.50 62.16 2i6f n PRO 79 Cb 0.45 -2.63 -0.17 0.00 -0.02 0.00 0.00 33.50 31.14 2i6f n PRO 79 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2i6f s ILE 80 N 0.57 2.06 -0.29 4.25 -1.09 -1.26 -1.26 121.20 124.19 2i6f s ILE 80 Ca 0.72 -1.00 -0.07 0.00 -2.23 0.00 0.00 60.65 58.07 2i6f s ILE 80 Cb -0.59 -1.80 0.00 0.00 -1.58 0.00 0.00 42.46 38.49 2i6f s ILE 80 CO 0.41 0.56 0.09 -0.69 -1.23 0.00 0.00 174.94 174.08 2i6f s VAL 81 N 0.52 4.10 0.01 2.92 1.01 0.40 -1.70 120.40 127.66 2i6f s VAL 81 Ca -0.14 -0.57 -0.27 0.00 0.00 0.00 0.00 61.98 61.00 2i6f s VAL 81 Cb -0.17 -3.08 -0.04 0.00 0.00 0.00 0.00 36.38 33.09 2i6f s VAL 81 CO 0.05 0.12 0.84 -0.63 0.00 0.00 0.00 175.10 175.48 2i6f s ILE 82 N 1.53 4.81 -0.01 2.22 -1.09 -0.19 -0.46 121.20 128.01 2i6f s ILE 82 Ca 0.04 1.77 0.07 0.00 -2.23 0.00 0.00 60.65 60.29 2i6f s ILE 82 Cb -0.17 -4.18 -0.02 0.00 -1.58 0.00 0.00 42.46 36.51 2i6f s ILE 82 CO 0.03 0.27 -0.23 0.27 -1.23 0.00 0.00 174.94 174.06 2i6f s ILE 83 N 0.46 2.35 -5.00 2.92 -4.36 -0.26 -0.18 121.20 117.12 2i6f s ILE 83 Ca 0.43 -1.09 0.00 0.00 -0.26 0.00 0.00 60.65 59.73 2i6f s ILE 83 Cb -0.20 -1.88 0.00 0.00 1.25 0.00 0.00 42.46 41.63 2i6f s ILE 83 CO 0.24 0.52 0.00 0.61 0.24 0.00 0.00 174.94 176.55 2i6f n GLY 84 N 2.20 -0.65 3.66 6.27 0.00 -1.15 -1.69 105.19 113.84 2i6f n GLY 84 Ca -0.16 -1.18 -0.44 0.00 0.00 0.00 0.00 46.02 44.23 2i6f n GLY 84 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2i6f n ASN 85 N 0.80 3.94 0.07 1.61 2.85 -1.26 -0.60 115.26 122.67 2i6f n ASN 85 Ca 0.00 0.87 0.09 0.00 -0.11 0.00 0.00 54.58 55.44 2i6f n ASN 85 Cb 0.00 -1.49 0.40 0.00 1.24 0.00 0.00 39.78 39.93 2i6f n ASN 85 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 2i6f n PRO 86 N 7.42 0.10 -0.31 1.20 -0.04 -1.26 -3.64 135.00 138.47 2i6f n PRO 86 Ca 0.21 0.38 0.13 0.00 -0.04 0.00 0.00 63.50 64.18 2i6f n PRO 86 Cb 0.38 -1.71 0.31 0.00 -0.04 0.00 0.00 33.50 32.44 2i6f n PRO 86 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2i6f h ASP 87 N 0.00 0.34 -0.11 3.54 3.32 -2.00 -2.38 116.42 119.13 2i6f h ASP 87 Ca 0.00 0.15 0.00 0.00 0.02 0.00 0.00 57.03 57.20 2i6f h ASP 87 Cb 0.27 0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.94 2i6f h ASP 87 CO 0.00 0.01 0.00 0.61 -1.72 0.00 0.00 179.24 178.14 2i6f n GLY 88 N -1.34 0.45 0.07 2.75 0.00 -1.24 -4.47 105.19 101.42 2i6f n GLY 88 Ca 0.22 -0.51 -0.12 0.00 0.00 0.00 0.00 46.02 45.62 2i6f n GLY 88 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2i6f h PHE 89 N 2.90 0.12 -0.73 1.61 0.04 -1.66 -2.77 116.94 116.45 2i6f h PHE 89 Ca 0.00 -0.01 0.09 0.00 2.80 0.00 0.00 57.97 60.85 2i6f h PHE 89 Cb 0.62 -0.04 -0.07 0.00 2.20 0.00 0.00 35.95 38.67 2i6f h PHE 89 CO 0.07 0.25 0.39 0.00 -0.60 0.00 0.00 178.31 178.42 2i6f h ALA 90 N 0.85 1.02 -0.39 2.45 0.00 -1.78 -1.21 119.26 120.19 2i6f h ALA 90 Ca 0.03 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 2i6f h ALA 90 Cb 0.19 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2i6f h ALA 90 CO -0.00 0.01 0.10 1.96 0.00 0.00 0.00 179.25 181.32 2i6f h GLN 91 N 0.67 0.63 -0.08 0.00 4.20 -1.85 -3.20 115.11 115.48 2i6f h GLN 91 Ca 0.35 -0.15 -0.12 0.00 0.06 0.00 0.00 58.65 58.79 2i6f h GLN 91 Cb 0.33 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 2i6f h GLN 91 CO -0.24 0.65 -0.50 1.25 -0.67 0.00 0.00 178.83 179.32 2i6f h HIS 92 N 0.49 0.25 -0.64 2.96 2.76 -1.10 -2.52 115.15 117.35 2i6f h HIS 92 Ca 0.12 -0.08 0.11 0.00 -2.20 0.00 0.00 60.37 58.32 2i6f h HIS 92 Cb 0.31 -0.05 -0.04 0.00 1.55 0.00 0.00 27.41 29.18 2i6f h HIS 92 CO 0.02 0.67 0.43 0.00 -1.30 0.00 0.00 177.93 177.75 2i6f h ARG 93 N 0.17 0.40 0.00 5.26 3.08 -1.24 -2.12 114.38 119.94 2i6f h ARG 93 Ca 0.01 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 59.96 2i6f h ARG 93 Cb 0.94 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.89 2i6f h ARG 93 CO 0.08 0.27 -0.34 0.87 -1.07 0.00 0.00 179.97 179.77 2i6f h LYS 94 N 0.42 0.00 -7.14 0.04 1.57 -1.48 -3.45 116.57 106.53 2i6f h LYS 94 Ca 0.30 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.56 2i6f h LYS 94 Cb 0.62 0.00 0.12 0.00 0.08 0.00 0.00 32.23 33.05 2i6f h LYS 94 CO -0.09 0.34 0.42 -0.51 -0.57 0.00 0.00 179.45 179.05 2i6f s LEU 95 N -7.02 3.53 0.33 2.94 1.43 -0.80 -4.93 118.68 114.16 2i6f s LEU 95 Ca 0.00 2.26 0.05 0.00 -1.03 0.00 0.00 54.13 55.41 2i6f s LEU 95 Cb 0.11 -4.58 0.59 0.00 0.03 0.00 0.00 46.19 42.34 2i6f s LEU 95 CO 0.68 -1.72 1.85 0.07 0.23 0.00 0.00 176.35 177.46 2i6f h LYS 96 N 0.44 0.47 -1.27 1.70 5.09 -1.87 -3.02 116.57 118.11 2i6f h LYS 96 Ca -0.49 -0.11 -0.36 0.00 0.09 0.00 0.00 60.65 59.78 2i6f h LYS 96 Cb 1.28 -0.06 -0.17 0.00 0.10 0.00 0.00 32.23 33.38 2i6f h LYS 96 CO 0.54 0.55 0.47 0.00 -2.09 0.00 0.00 179.45 178.91 2i6f n ALA 97 N -2.48 4.98 -1.59 0.07 0.00 -1.26 -4.97 120.51 115.26 2i6f n ALA 97 Ca 0.01 -1.90 -0.34 0.00 0.00 0.00 0.00 53.44 51.21 2i6f n ALA 97 Cb 0.28 -1.38 0.03 0.00 0.00 0.00 0.00 19.45 18.38 2i6f n ALA 97 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 2i6f s HIS 98 N -2.12 2.66 0.90 0.00 -3.43 -1.15 -4.26 115.29 107.90 2i6f s HIS 98 Ca 0.36 1.55 -0.12 0.00 -0.80 0.00 0.00 55.06 56.05 2i6f s HIS 98 Cb 0.29 -3.19 0.13 0.00 -1.43 0.00 0.00 32.58 28.38 2i6f s HIS 98 CO 0.02 -1.62 1.12 0.00 -2.00 0.00 0.00 174.74 172.27 2i6f s ALA 99 N -2.20 1.76 0.13 -1.38 0.00 -1.26 -4.99 121.76 113.82 2i6f s ALA 99 Ca 0.68 -0.44 -0.03 0.00 0.00 0.00 0.00 51.96 52.17 2i6f s ALA 99 Cb -0.21 -3.06 -0.11 0.00 0.00 0.00 0.00 23.12 19.75 2i6f s ALA 99 CO 0.37 -2.25 1.29 -0.44 0.00 0.00 0.00 175.76 174.73 2i6f h ASP 100 N -1.47 0.46 -5.10 0.00 3.32 -1.71 -3.47 116.42 108.45 2i6f h ASP 100 Ca -0.50 -0.39 -0.08 0.00 0.02 0.00 0.00 57.03 56.08 2i6f h ASP 100 Cb 1.32 -0.14 -0.15 0.00 0.22 0.00 0.00 39.33 40.58 2i6f h ASP 100 CO 0.61 1.20 -0.27 -1.61 -1.72 0.00 0.00 179.24 177.45 2i6f s GLU 101 N -3.16 0.87 -0.09 3.56 2.02 -0.98 -5.02 118.70 115.89 2i6f s GLU 101 Ca -0.05 -0.74 0.01 0.00 0.02 0.00 0.00 54.97 54.21 2i6f s GLU 101 Cb 0.09 0.37 0.02 0.00 0.10 0.00 0.00 34.13 34.71 2i6f s GLU 101 CO 0.86 -0.29 -0.09 0.71 0.02 0.00 0.00 175.26 176.47 2i6f s TYR 102 N -3.34 1.40 -0.15 1.61 2.02 -1.26 -1.02 117.35 116.61 2i6f s TYR 102 Ca 0.01 -0.62 0.01 0.00 -0.37 0.00 0.00 57.07 56.10 2i6f s TYR 102 Cb 0.02 -1.13 0.01 0.00 -0.40 0.00 0.00 41.96 40.46 2i6f s TYR 102 CO -0.08 -0.41 -0.19 0.08 -1.57 0.00 0.00 175.55 173.38 2i6f s VAL 103 N 1.32 2.35 0.26 0.71 1.01 0.74 -4.96 120.40 121.83 2i6f s VAL 103 Ca -0.03 -0.88 -0.29 0.00 0.00 0.00 0.00 61.98 60.78 2i6f s VAL 103 Cb -0.14 -1.97 -0.09 0.00 0.00 0.00 0.00 36.38 34.18 2i6f s VAL 103 CO -0.04 0.53 1.20 0.00 0.00 0.00 0.00 175.10 176.80 2i6f s ALA 104 N 0.85 3.45 0.24 5.51 0.00 -1.26 -2.93 121.76 127.63 2i6f s ALA 104 Ca -0.05 1.03 -0.30 0.00 0.00 0.00 0.00 51.96 52.64 2i6f s ALA 104 Cb -0.15 -3.40 -0.09 0.00 0.00 0.00 0.00 23.12 19.47 2i6f s ALA 104 CO -0.02 -0.38 1.00 0.15 0.00 0.00 0.00 175.76 176.51 2i6f s LYS 105 N -1.13 4.76 -0.00 0.00 1.02 0.23 -2.85 119.74 121.76 2i6f s LYS 105 Ca 0.49 1.60 -0.30 0.00 0.02 0.00 0.00 55.97 57.78 2i6f s LYS 105 Cb -0.35 -3.26 -0.06 0.00 -0.52 0.00 0.00 37.83 33.64 2i6f s LYS 105 CO 0.43 0.38 1.57 -2.14 -0.92 0.00 0.00 175.35 174.67 2i6f s PRO 106 N -1.14 4.22 -0.00 -1.68 0.02 -1.26 -4.71 135.00 130.45 2i6f s PRO 106 Ca 0.43 2.16 -0.30 0.00 0.02 0.00 0.00 61.00 63.30 2i6f s PRO 106 Cb -0.28 -3.74 -0.04 0.00 0.02 0.00 0.00 34.50 30.46 2i6f s PRO 106 CO 0.35 -0.73 1.10 0.08 -0.33 0.00 0.00 177.00 177.47 2i6f s VAL 107 N 3.13 4.46 -0.27 3.83 1.01 -1.13 -5.02 120.40 126.40 2i6f s VAL 107 Ca 0.70 1.77 -0.24 0.00 0.00 0.00 0.00 61.98 64.21 2i6f s VAL 107 Cb -0.34 -4.13 -0.00 0.00 0.00 0.00 0.00 36.38 31.90 2i6f s VAL 107 CO 0.29 0.10 0.82 -0.62 0.00 0.00 0.00 175.10 175.69 2i6f s ASP 108 N 1.12 6.77 0.21 3.32 -1.08 -1.26 -4.97 116.67 120.79 2i6f s ASP 108 Ca 0.55 0.89 -0.09 0.00 -0.52 0.00 0.00 52.55 53.37 2i6f s ASP 108 Cb -0.24 -2.43 0.23 0.00 -1.46 0.00 0.00 42.92 39.02 2i6f s ASP 108 CO 0.26 -0.57 1.84 0.00 0.52 0.00 0.00 175.17 177.22 2i6f h ALA 109 N 7.87 0.96 -0.70 3.66 0.00 -1.95 -0.70 119.26 128.40 2i6f h ALA 109 Ca -0.23 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 2i6f h ALA 109 Cb 1.09 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 2i6f h ALA 109 CO 0.88 0.19 0.27 0.38 0.00 0.00 0.00 179.25 180.97 2i6f h ASP 110 N 0.84 0.96 -0.43 0.00 2.03 -1.96 -2.04 116.42 115.81 2i6f h ASP 110 Ca 0.30 -0.14 -0.06 0.00 -0.73 0.00 0.00 57.03 56.40 2i6f h ASP 110 Cb 0.09 -0.25 -0.02 0.00 -0.83 0.00 0.00 39.33 38.32 2i6f h ASP 110 CO -0.14 0.86 0.03 -0.61 -1.03 0.00 0.00 179.24 178.35 2i6f h GLN 111 N 1.02 0.75 -0.86 4.15 -0.00 -1.74 -2.91 115.11 115.52 2i6f h GLN 111 Ca 0.24 -0.22 -0.01 0.00 -0.00 0.00 0.00 58.65 58.65 2i6f h GLN 111 Cb 0.21 -0.08 -0.04 0.00 0.00 0.00 0.00 27.48 27.57 2i6f h GLN 111 CO -0.02 0.80 0.49 1.25 0.00 0.00 0.00 178.83 181.36 2i6f h LEU 112 N 0.59 1.05 -0.76 -2.39 5.85 -0.93 -1.00 115.31 117.72 2i6f h LEU 112 Ca 0.13 -0.08 0.06 0.00 0.84 0.00 0.00 57.88 58.83 2i6f h LEU 112 Cb 0.45 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 41.15 2i6f h LEU 112 CO 0.02 0.83 0.45 0.58 -0.34 0.00 0.00 178.44 179.97 2i6f h VAL 113 N 1.19 0.99 -0.25 1.05 2.07 -1.27 0.16 116.25 120.20 2i6f h VAL 113 Ca 0.31 -0.28 -0.15 0.00 0.82 0.00 0.00 66.70 67.40 2i6f h VAL 113 Cb -0.01 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 29.86 2i6f h VAL 113 CO -0.05 0.15 -0.45 -0.33 0.02 0.00 0.00 177.57 176.91 2i6f h GLU 114 N 0.81 0.64 -0.33 1.57 4.39 -1.18 -1.96 114.58 118.51 2i6f h GLU 114 Ca 0.34 -0.35 -0.12 0.00 0.34 0.00 0.00 59.36 59.57 2i6f h GLU 114 Cb 0.20 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 2i6f h GLU 114 CO -0.18 0.96 -0.29 0.00 -1.16 0.00 0.00 179.01 178.33 2i6f h ARG 115 N 0.52 0.69 -0.37 2.33 2.47 -0.68 -1.46 114.38 117.88 2i6f h ARG 115 Ca 0.03 -0.30 -0.01 0.00 -1.26 0.00 0.00 59.98 58.44 2i6f h ARG 115 Cb 0.98 -0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 29.26 2i6f h ARG 115 CO 0.09 0.90 0.19 0.00 0.56 0.00 0.00 179.97 181.71 2i6f h ALA 116 N 1.08 0.48 -0.50 0.04 0.00 -0.57 -2.49 119.26 117.30 2i6f h ALA 116 Ca 0.07 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2i6f h ALA 116 Cb 0.79 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 2i6f h ALA 116 CO 0.07 0.03 0.15 0.78 0.00 0.00 0.00 179.25 180.28 2i6f h GLY 117 N 0.47 0.80 1.78 0.00 0.00 -1.21 0.60 103.07 105.50 2i6f h GLY 117 Ca 0.13 -0.42 -0.04 0.00 0.00 0.00 0.00 47.33 46.99 2i6f h GLY 117 CO -0.02 0.40 -0.07 0.00 0.00 0.00 0.00 176.54 176.85 2i6f h ALA 118 N 1.44 1.54 0.12 3.60 0.00 -1.08 0.39 119.26 125.27 2i6f h ALA 118 Ca 0.17 -0.18 -0.25 0.00 0.00 0.00 0.00 54.91 54.65 2i6f h ALA 118 Cb 0.22 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2i6f h ALA 118 CO -0.01 0.33 -1.25 -0.07 0.00 0.00 0.00 179.25 178.26 2i6f h LEU 119 N 0.27 0.39 -2.30 0.00 3.38 -0.92 -3.42 115.31 112.70 2i6f h LEU 119 Ca 0.06 -0.87 0.00 0.00 0.09 0.00 0.00 57.88 57.16 2i6f h LEU 119 Cb 0.31 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.93 2i6f h LEU 119 CO 0.01 1.55 0.00 2.30 0.09 0.00 0.00 178.44 182.40 2i6f n ILE 120 N -3.99 0.66 -0.18 1.22 -5.35 0.14 -5.08 119.36 106.77 2i6f n ILE 120 Ca -0.22 -0.68 0.02 0.00 -0.27 0.00 0.00 62.75 61.60 2i6f n ILE 120 Cb 0.87 0.69 -0.01 0.00 -1.74 0.00 0.00 39.64 39.45 2i6f n ILE 120 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2i6f n GLY 121 N -0.33 -2.33 3.92 3.28 0.00 0.14 -4.97 105.19 104.89 2i6f n GLY 121 Ca 0.00 -1.43 -0.30 0.00 0.00 0.00 0.00 46.02 44.29 2i6f n GLY 121 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2i6f s PHE 122 N -2.60 3.50 0.42 1.61 0.08 -1.26 -4.39 117.98 115.34 2i6f s PHE 122 Ca 0.00 0.33 -0.26 0.00 0.12 0.00 0.00 56.93 57.12 2i6f s PHE 122 Cb 0.00 -1.83 -0.10 0.00 -0.57 0.00 0.00 43.02 40.53 2i6f s PHE 122 CO 0.00 0.52 1.37 -2.30 -0.10 0.00 0.00 175.22 174.71 2i6f n PRO 123 N 0.07 2.20 0.00 0.24 -0.02 -1.26 -5.08 135.00 131.15 2i6f n PRO 123 Ca -0.04 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 2i6f n PRO 123 Cb 0.52 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 2i6f n PRO 123 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87