#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2voc s ILE 3 N 0.00 2.83 -0.06 0.00 1.01 -1.26 -4.63 121.20 119.08 2voc s ILE 3 Ca 0.00 0.70 -0.13 0.00 0.00 0.00 0.00 60.65 61.22 2voc s ILE 3 Cb 0.00 -3.44 -0.05 0.00 0.01 0.00 0.00 42.46 38.98 2voc s ILE 3 CO 0.00 0.11 0.32 -0.69 0.00 0.00 0.00 174.94 174.68 2voc s VAL 4 N 0.00 5.21 -0.37 2.92 1.01 0.19 -4.99 120.40 124.38 2voc s VAL 4 Ca 0.58 0.62 -0.19 0.00 0.00 0.00 0.00 61.98 62.99 2voc s VAL 4 Cb -0.40 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.37 2voc s VAL 4 CO 0.42 0.55 0.57 -0.75 0.00 0.00 0.00 175.10 175.89 2voc s LYS 5 N -0.77 3.57 0.25 2.72 2.20 -1.26 -0.44 119.74 126.00 2voc s LYS 5 Ca 0.20 -0.15 0.04 0.00 -0.36 0.00 0.00 55.97 55.70 2voc s LYS 5 Cb -0.15 -3.83 -0.03 0.00 -1.51 0.00 0.00 37.83 32.31 2voc s LYS 5 CO 0.09 -0.73 0.38 0.00 -0.36 0.00 0.00 175.35 174.73 2voc s ALA 6 N 2.54 3.90 0.41 3.13 0.00 0.28 -4.95 121.76 127.07 2voc s ALA 6 Ca 0.21 -1.16 0.07 0.00 0.00 0.00 0.00 51.96 51.07 2voc s ALA 6 Cb -0.15 -1.79 -0.08 0.00 0.00 0.00 0.00 23.12 21.10 2voc s ALA 6 CO 0.15 0.23 0.03 0.95 0.00 0.00 0.00 175.76 177.12 2voc s THR 7 N -2.00 2.03 0.35 0.00 -4.23 -1.26 -4.51 115.64 106.02 2voc s THR 7 Ca 0.35 -1.97 0.09 0.00 -1.18 0.00 0.00 61.69 58.99 2voc s THR 7 Cb -0.09 -3.00 0.33 0.00 1.34 0.00 0.00 72.50 71.07 2voc s THR 7 CO 0.30 0.00 1.84 0.44 -0.54 0.00 0.00 174.62 176.66 2voc h ASP 8 N 1.73 0.67 0.14 3.99 3.32 -1.93 0.59 116.42 124.92 2voc h ASP 8 Ca -0.44 0.05 -0.19 0.00 0.02 0.00 0.00 57.03 56.48 2voc h ASP 8 Cb 1.24 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 40.72 2voc h ASP 8 CO 0.80 0.30 -0.71 -0.61 -1.72 0.00 0.00 179.24 177.30 2voc h GLN 9 N 0.68 0.50 0.00 3.56 4.15 -2.02 -3.34 115.11 118.66 2voc h GLN 9 Ca 0.49 -0.39 0.00 0.00 0.77 0.00 0.00 58.65 59.52 2voc h GLN 9 Cb 0.83 0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.60 2voc h GLN 9 CO -0.25 1.02 -0.91 -1.13 -1.93 0.00 0.00 178.83 175.63 2voc n SER 10 N -3.88 0.67 -0.19 -0.69 3.41 -0.84 -4.55 113.62 107.55 2voc n SER 10 Ca -0.05 -0.41 -0.03 0.00 -0.26 0.00 0.00 58.87 58.13 2voc n SER 10 Cb 0.70 0.74 0.08 0.00 -0.26 0.00 0.00 64.21 65.46 2voc n SER 10 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 2voc h PHE 11 N 0.00 0.53 0.03 7.33 3.57 -1.02 -1.14 116.94 126.24 2voc h PHE 11 Ca 0.00 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.54 2voc h PHE 11 Cb 0.62 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.19 2voc h PHE 11 CO 0.00 0.24 -0.10 0.77 -2.23 0.00 0.00 178.31 176.99 2voc h SER 12 N 0.55 -0.27 -0.64 0.41 0.02 -1.83 -1.10 113.55 110.68 2voc h SER 12 Ca 0.26 0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 61.23 2voc h SER 12 Cb 0.19 0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.81 2voc h SER 12 CO -0.19 -0.14 0.33 0.00 -1.14 0.00 0.00 176.83 175.69 2voc h ALA 13 N 0.77 0.82 0.00 3.77 0.00 -1.76 -2.10 119.26 120.77 2voc h ALA 13 Ca 0.03 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 2voc h ALA 13 Cb 0.21 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2voc h ALA 13 CO -0.08 0.36 -0.22 0.93 0.00 0.00 0.00 179.25 180.25 2voc h GLU 14 N 0.88 0.00 -0.02 0.00 4.39 -0.80 -2.93 114.58 116.11 2voc h GLU 14 Ca 0.22 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.92 2voc h GLU 14 Cb 0.08 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 2voc h GLU 14 CO -0.03 0.22 -0.08 0.25 -1.16 0.00 0.00 179.01 178.20 2voc n THR 15 N -3.67 0.00 0.48 1.13 -2.24 -0.45 -4.67 114.28 104.85 2voc n THR 15 Ca -0.01 -0.46 0.13 0.00 -2.27 0.00 0.00 64.05 61.44 2voc n THR 15 Cb 0.34 1.30 0.33 0.00 -2.10 0.00 0.00 70.33 70.19 2voc n THR 15 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2voc h SER 16 N 2.82 0.00 -4.44 3.42 4.64 -1.19 -3.32 113.55 115.49 2voc h SER 16 Ca 0.00 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.71 2voc h SER 16 Cb 0.64 0.00 -0.30 0.00 -0.31 0.00 0.00 62.40 62.43 2voc h SER 16 CO 0.00 0.00 -0.86 -1.61 -0.87 0.00 0.00 176.83 173.49 2voc s GLU 17 N -3.15 1.73 2.06 4.77 8.01 -1.26 -2.58 118.70 128.28 2voc s GLU 17 Ca 0.09 -0.76 0.00 0.00 0.01 0.00 0.00 54.97 54.31 2voc s GLU 17 Cb 0.10 -1.67 0.00 0.00 -4.31 0.00 0.00 34.13 28.25 2voc s GLU 17 CO 0.62 0.45 0.00 0.41 0.01 0.00 0.00 175.26 176.75 2voc n GLY 18 N 2.57 -0.91 3.69 -1.39 0.00 -1.26 -4.69 105.19 103.20 2voc n GLY 18 Ca -0.15 -1.17 -0.39 0.00 0.00 0.00 0.00 46.02 44.31 2voc n GLY 18 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2voc s VAL 19 N 0.00 5.15 -0.01 1.61 1.01 -1.26 -0.90 120.40 126.00 2voc s VAL 19 Ca 0.00 0.95 0.01 0.00 0.00 0.00 0.00 61.98 62.94 2voc s VAL 19 Cb 0.00 -3.83 0.00 0.00 0.00 0.00 0.00 36.38 32.55 2voc s VAL 19 CO 0.00 0.25 -0.03 -0.69 0.00 0.00 0.00 175.10 174.63 2voc s VAL 20 N 1.15 0.29 -0.21 2.92 1.01 -0.18 -2.24 120.40 123.14 2voc s VAL 20 Ca 0.25 -0.13 -0.04 0.00 0.00 0.00 0.00 61.98 62.06 2voc s VAL 20 Cb -0.15 -0.26 -0.01 0.00 0.00 0.00 0.00 36.38 35.95 2voc s VAL 20 CO 0.10 0.10 -0.03 -0.22 0.00 0.00 0.00 175.10 175.04 2voc s LEU 21 N 0.09 3.00 -0.12 3.92 2.96 0.02 -0.75 118.68 127.80 2voc s LEU 21 Ca -0.01 -0.32 -0.00 0.00 -0.22 0.00 0.00 54.13 53.58 2voc s LEU 21 Cb -0.03 -1.76 -0.02 0.00 0.50 0.00 0.00 46.19 44.88 2voc s LEU 21 CO -0.00 0.02 -0.12 0.00 -1.32 0.00 0.00 176.35 174.93 2voc s ALA 22 N 1.25 2.68 -0.27 5.97 0.00 0.62 -0.45 121.76 131.56 2voc s ALA 22 Ca 0.03 -0.89 -0.03 0.00 0.00 0.00 0.00 51.96 51.07 2voc s ALA 22 Cb -0.14 -1.23 0.02 0.00 0.00 0.00 0.00 23.12 21.76 2voc s ALA 22 CO -0.01 0.29 -0.01 0.34 0.00 0.00 0.00 175.76 176.37 2voc s ASP 23 N 0.21 4.63 -0.37 0.00 2.15 0.65 -0.77 116.67 123.16 2voc s ASP 23 Ca -0.07 -0.82 -0.18 0.00 0.43 0.00 0.00 52.55 51.90 2voc s ASP 23 Cb -0.15 -1.74 0.00 0.00 -0.30 0.00 0.00 42.92 40.73 2voc s ASP 23 CO 0.05 -0.15 0.52 -0.36 -0.17 0.00 0.00 175.17 175.06 2voc s PHE 24 N 1.39 3.16 0.24 -5.34 0.08 -0.43 -0.74 117.98 116.33 2voc s PHE 24 Ca 0.01 0.07 -0.04 0.00 0.12 0.00 0.00 56.93 57.09 2voc s PHE 24 Cb -0.17 -2.99 -0.02 0.00 -0.57 0.00 0.00 43.02 39.27 2voc s PHE 24 CO -0.02 -0.61 0.28 1.67 -0.10 0.00 0.00 175.22 176.44 2voc s TRP 25 N 2.43 0.97 -0.16 0.36 1.48 -0.96 -2.47 118.94 120.59 2voc s TRP 25 Ca 0.18 -1.20 -0.22 0.00 -1.06 0.00 0.00 56.10 53.80 2voc s TRP 25 Cb -0.15 -0.30 0.06 0.00 -1.16 0.00 0.00 33.47 31.91 2voc s TRP 25 CO 0.14 -0.82 0.59 0.00 -4.06 0.00 0.00 176.95 172.80 2voc s ALA 26 N -3.93 -1.47 0.32 2.67 0.00 -1.26 -1.08 121.76 117.01 2voc s ALA 26 Ca 0.33 1.45 0.10 0.00 0.00 0.00 0.00 51.96 53.85 2voc s ALA 26 Cb 0.04 -0.64 0.90 0.00 0.00 0.00 0.00 23.12 23.42 2voc s ALA 26 CO 0.13 -0.30 1.73 -1.35 0.00 0.00 0.00 175.76 175.98 2voc h PRO 27 N 4.54 0.55 0.00 0.00 0.11 -1.97 -1.19 132.00 134.04 2voc h PRO 27 Ca -0.28 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.79 2voc h PRO 27 Cb 1.16 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 2voc h PRO 27 CO 0.22 0.37 -0.01 2.35 -0.21 0.00 0.00 178.00 180.72 2voc h TRP 28 N 0.57 0.00 -3.12 0.65 2.91 -2.03 -3.24 115.95 111.69 2voc h TRP 28 Ca 0.64 0.00 -0.77 0.00 1.13 0.00 0.00 58.89 59.89 2voc h TRP 28 Cb 1.24 0.00 -0.24 0.00 -0.51 0.00 0.00 29.16 29.65 2voc h TRP 28 CO -0.01 0.01 0.68 0.00 -1.03 0.00 0.00 178.44 178.09 2voc h GLY 30 N 8.03 0.22 -0.50 0.00 0.00 -1.76 0.47 103.07 109.52 2voc h GLY 30 Ca 0.20 0.35 0.05 0.00 0.00 0.00 0.00 47.33 47.93 2voc h GLY 30 CO 1.04 -0.24 -0.30 -1.05 0.00 0.00 0.00 176.54 175.99 2voc n PRO 31 N -5.47 -0.22 0.18 4.80 -0.02 -1.26 -2.46 135.00 130.55 2voc n PRO 31 Ca 0.08 0.92 0.07 0.00 -2.02 0.00 0.00 63.50 62.54 2voc n PRO 31 Cb 0.37 -1.36 0.36 0.00 -0.02 0.00 0.00 33.50 32.85 2voc n PRO 31 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2voc h SER 32 N 0.00 0.00 0.67 2.55 4.64 -0.33 1.11 113.55 122.19 2voc h SER 32 Ca 0.08 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.37 2voc h SER 32 Cb 0.21 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.29 2voc h SER 32 CO -0.47 0.00 -0.17 0.11 -0.87 0.00 0.00 176.83 175.43 2voc h LYS 33 N 0.00 0.00 0.00 4.77 6.56 -1.53 -3.22 116.57 123.15 2voc h LYS 33 Ca 0.00 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.58 2voc h LYS 33 Cb 0.70 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.36 2voc h LYS 33 CO 0.00 0.17 -0.04 0.52 -2.06 0.00 0.00 179.45 178.04 2voc h MET 34 N 0.00 0.00 0.00 3.15 2.86 0.11 0.01 114.93 121.06 2voc h MET 34 Ca -0.00 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.57 2voc h MET 34 Cb 0.55 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.20 2voc h MET 34 CO 0.02 0.04 -0.31 0.82 1.06 0.00 0.00 176.91 178.54 2voc h ILE 35 N 0.00 0.92 -0.08 -1.22 2.04 -1.74 -3.36 117.51 114.06 2voc h ILE 35 Ca -0.00 -1.19 0.00 0.00 1.00 0.00 0.00 64.86 64.67 2voc h ILE 35 Cb 0.32 1.70 -0.00 0.00 -0.74 0.00 0.00 36.82 38.10 2voc h ILE 35 CO 0.01 0.30 0.05 0.00 0.00 0.00 0.00 178.15 178.51 2voc h ALA 36 N 1.69 0.11 -0.51 1.87 0.00 -1.20 0.68 119.26 121.90 2voc h ALA 36 Ca -0.00 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.92 2voc h ALA 36 Cb 0.68 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 2voc h ALA 36 CO 0.04 -0.39 0.34 -1.00 0.00 0.00 0.00 179.25 178.24 2voc h PRO 37 N 0.10 0.57 -0.25 0.00 0.13 -1.76 -2.18 132.00 128.60 2voc h PRO 37 Ca 0.03 -0.03 0.02 0.00 -0.87 0.00 0.00 66.00 65.15 2voc h PRO 37 Cb 0.01 -0.13 -0.03 0.00 0.13 0.00 0.00 31.00 30.98 2voc h PRO 37 CO -0.01 0.38 0.09 0.28 -0.23 0.00 0.00 178.00 178.52 2voc h VAL 38 N 0.59 0.94 -0.76 1.56 2.07 -1.07 -2.01 116.25 117.57 2voc h VAL 38 Ca 0.20 -0.07 0.03 0.00 0.82 0.00 0.00 66.70 67.68 2voc h VAL 38 Cb 0.08 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 30.52 2voc h VAL 38 CO -0.05 0.04 0.50 -0.07 0.02 0.00 0.00 177.57 178.01 2voc h LEU 39 N 0.21 0.82 -0.62 2.57 3.38 -1.02 -0.78 115.31 119.87 2voc h LEU 39 Ca 0.11 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 2voc h LEU 39 Cb 0.07 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 2voc h LEU 39 CO -0.11 0.57 0.23 -0.33 0.09 0.00 0.00 178.44 178.89 2voc h GLU 40 N 0.96 0.94 -0.26 1.13 4.39 -0.90 0.11 114.58 120.94 2voc h GLU 40 Ca 0.30 -0.18 -0.06 0.00 0.34 0.00 0.00 59.36 59.75 2voc h GLU 40 Cb 0.01 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.51 2voc h GLU 40 CO -0.08 0.81 -0.08 0.93 -1.16 0.00 0.00 179.01 179.42 2voc h GLU 41 N 0.87 0.52 -0.73 2.33 5.08 -0.58 -1.71 114.58 120.36 2voc h GLU 41 Ca 0.20 -0.21 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 2voc h GLU 41 Cb 0.24 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.43 2voc h GLU 41 CO -0.01 0.75 0.33 -0.07 -1.00 0.00 0.00 179.01 179.01 2voc h LEU 42 N 0.27 0.96 -0.82 1.33 3.38 -1.14 -1.58 115.31 117.71 2voc h LEU 42 Ca 0.06 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 2voc h LEU 42 Cb 0.57 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.03 2voc h LEU 42 CO 0.03 0.82 0.41 -0.78 0.09 0.00 0.00 178.44 179.01 2voc h ASP 43 N 1.04 1.06 -0.87 -0.43 3.58 -0.54 0.15 116.42 120.42 2voc h ASP 43 Ca 0.25 -0.13 0.01 0.00 0.42 0.00 0.00 57.03 57.58 2voc h ASP 43 Cb 0.14 -0.27 -0.04 0.00 1.72 0.00 0.00 39.33 40.87 2voc h ASP 43 CO -0.03 0.89 0.58 1.56 -2.88 0.00 0.00 179.24 179.36 2voc h GLN 44 N 1.16 1.14 0.10 0.28 7.50 -0.54 -1.59 115.11 123.15 2voc h GLN 44 Ca 0.28 -0.07 -0.30 0.00 0.50 0.00 0.00 58.65 59.06 2voc h GLN 44 Cb 0.10 -0.26 -0.01 0.00 0.05 0.00 0.00 27.48 27.36 2voc h GLN 44 CO -0.04 0.75 -1.56 1.05 -1.50 0.00 0.00 178.83 177.54 2voc h GLU 45 N 1.17 0.22 0.00 1.46 -0.00 -1.04 -3.41 114.58 112.99 2voc h GLU 45 Ca 0.32 -0.38 0.00 0.00 -0.00 0.00 0.00 59.36 59.30 2voc h GLU 45 Cb -0.13 0.14 0.00 0.00 -0.00 0.00 0.00 28.75 28.76 2voc h GLU 45 CO -0.07 1.07 0.00 -1.33 -0.00 0.00 0.00 179.01 178.67 2voc n MET 46 N -3.42 1.31 0.31 1.06 2.81 0.51 -4.84 117.12 114.87 2voc n MET 46 Ca -0.17 -1.03 0.18 0.00 -1.81 0.00 0.00 57.70 54.88 2voc n MET 46 Cb 1.04 -0.94 1.02 0.00 -0.71 0.00 0.00 33.22 33.63 2voc n MET 46 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 2voc h GLY 47 N 0.00 0.00 2.00 3.03 0.00 -1.41 0.20 103.07 106.89 2voc h GLY 47 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2voc h GLY 47 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 176.54 177.83 2voc h ASP 48 N 0.00 0.00 0.00 0.19 2.03 -1.88 -3.31 116.42 113.45 2voc h ASP 48 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2voc h ASP 48 Cb 0.06 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.56 2voc h ASP 48 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 179.24 178.50 2voc n LYS 49 N -2.32 3.32 -4.13 4.15 5.02 -0.03 -5.05 118.16 119.12 2voc n LYS 49 Ca 0.02 -0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 56.10 2voc n LYS 49 Cb 0.25 -0.25 -0.17 0.00 -0.02 0.00 0.00 35.03 34.85 2voc n LYS 49 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2voc s LEU 50 N -0.95 1.24 -0.23 -0.35 2.96 -0.67 -4.59 118.68 116.10 2voc s LEU 50 Ca 0.00 -0.14 -0.12 0.00 -0.22 0.00 0.00 54.13 53.65 2voc s LEU 50 Cb 0.00 -0.50 -0.05 0.00 0.50 0.00 0.00 46.19 46.14 2voc s LEU 50 CO 0.00 -0.07 0.21 -0.75 -1.32 0.00 0.00 176.35 174.42 2voc s LYS 51 N 1.08 4.11 -0.17 1.98 2.20 -0.95 -4.48 119.74 123.51 2voc s LYS 51 Ca -0.08 -0.15 -0.06 0.00 -0.36 0.00 0.00 55.97 55.31 2voc s LYS 51 Cb -0.14 -3.53 -0.04 0.00 -1.51 0.00 0.00 37.83 32.61 2voc s LYS 51 CO -0.01 0.06 0.04 0.42 -0.36 0.00 0.00 175.35 175.50 2voc s ILE 52 N 1.06 4.59 -0.10 5.43 1.01 -1.26 -0.80 121.20 131.14 2voc s ILE 52 Ca 0.10 -0.11 0.02 0.00 0.00 0.00 0.00 60.65 60.67 2voc s ILE 52 Cb -0.14 -3.05 0.01 0.00 0.01 0.00 0.00 42.46 39.30 2voc s ILE 52 CO 0.05 0.48 -0.15 -0.69 0.00 0.00 0.00 174.94 174.63 2voc s VAL 53 N 0.27 1.43 -0.07 2.92 1.01 0.40 -0.63 120.40 125.72 2voc s VAL 53 Ca 0.02 -0.62 -0.03 0.00 0.00 0.00 0.00 61.98 61.36 2voc s VAL 53 Cb -0.13 -1.31 -0.04 0.00 0.00 0.00 0.00 36.38 34.91 2voc s VAL 53 CO 0.01 0.43 0.07 -0.54 0.00 0.00 0.00 175.10 175.06 2voc s LYS 54 N 0.88 3.14 -0.06 2.72 1.02 0.42 -0.26 119.74 127.60 2voc s LYS 54 Ca -0.09 -0.35 -0.02 0.00 0.02 0.00 0.00 55.97 55.53 2voc s LYS 54 Cb -0.15 -2.93 0.03 0.00 -0.52 0.00 0.00 37.83 34.26 2voc s LYS 54 CO 0.00 0.71 0.04 -1.50 -0.92 0.00 0.00 175.35 173.69 2voc s ILE 55 N -1.02 0.04 -0.55 2.17 2.07 0.08 -0.56 121.20 123.44 2voc s ILE 55 Ca 0.17 0.31 -0.28 0.00 -1.41 0.00 0.00 60.65 59.43 2voc s ILE 55 Cb -0.12 -0.29 0.03 0.00 0.13 0.00 0.00 42.46 42.22 2voc s ILE 55 CO 0.06 0.18 1.21 -0.62 -1.91 0.00 0.00 174.94 173.86 2voc s ASP 56 N 2.11 6.46 0.16 4.50 -1.08 -1.26 -2.27 116.67 125.30 2voc s ASP 56 Ca 0.05 0.25 0.25 0.00 -0.52 0.00 0.00 52.55 52.57 2voc s ASP 56 Cb -0.12 -2.55 0.92 0.00 -1.46 0.00 0.00 42.92 39.70 2voc s ASP 56 CO -0.04 -1.44 1.76 0.52 0.52 0.00 0.00 175.17 176.49 2voc n VAL 57 N 6.76 0.58 0.04 1.11 0.31 -0.24 -1.15 118.33 125.73 2voc n VAL 57 Ca 0.10 -0.05 -0.13 0.00 -0.01 0.00 0.00 64.34 64.25 2voc n VAL 57 Cb 0.49 -0.76 -0.08 0.00 -0.91 0.00 0.00 33.84 32.58 2voc n VAL 57 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 2voc h ASP 58 N 0.00 -0.04 0.40 4.52 3.32 -1.91 -3.30 116.42 119.41 2voc h ASP 58 Ca 0.00 -0.20 -0.24 0.00 0.02 0.00 0.00 57.03 56.62 2voc h ASP 58 Cb 0.55 0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.12 2voc h ASP 58 CO 0.00 0.17 -1.02 -0.33 -1.72 0.00 0.00 179.24 176.34 2voc h GLU 59 N -0.26 0.38 -3.99 3.56 4.39 -1.87 -3.41 114.58 113.38 2voc h GLU 59 Ca -0.01 -0.46 -0.67 0.00 0.34 0.00 0.00 59.36 58.57 2voc h GLU 59 Cb 0.24 0.14 -0.38 0.00 -0.10 0.00 0.00 28.75 28.64 2voc h GLU 59 CO 0.01 1.14 -0.58 -0.80 -1.16 0.00 0.00 179.01 177.61 2voc s ASN 60 N -7.11 4.81 0.00 1.42 0.01 -0.30 -4.95 114.94 108.81 2voc s ASN 60 Ca -0.05 -2.57 0.24 0.00 -0.71 0.00 0.00 52.86 49.77 2voc s ASN 60 Cb 0.08 -1.72 0.32 0.00 0.41 0.00 0.00 41.25 40.34 2voc s ASN 60 CO 0.87 -0.36 1.31 0.00 -1.51 0.00 0.00 177.10 177.42 2voc n GLN 61 N 3.77 1.73 -0.02 -0.60 6.02 -1.25 -4.04 117.38 123.01 2voc n GLN 61 Ca 0.04 -1.35 0.02 0.00 -0.01 0.00 0.00 57.00 55.70 2voc n GLN 61 Cb 0.38 -1.47 -0.13 0.00 1.02 0.00 0.00 30.24 30.03 2voc n GLN 61 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 2voc n GLU 62 N 0.55 0.65 -0.10 -1.09 1.02 -1.26 -4.57 120.64 115.84 2voc n GLU 62 Ca 0.13 -0.01 -0.14 0.00 -0.02 0.00 0.00 57.16 57.12 2voc n GLU 62 Cb 0.50 -1.62 -0.04 0.00 -0.02 0.00 0.00 31.44 30.26 2voc n GLU 62 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 2voc h THR 63 N 0.00 1.29 -0.68 2.62 2.02 -1.92 -3.22 112.91 113.01 2voc h THR 63 Ca -0.20 -1.55 0.14 0.00 0.77 0.00 0.00 66.41 65.57 2voc h THR 63 Cb 1.51 1.53 -0.10 0.00 -1.74 0.00 0.00 68.15 69.35 2voc h THR 63 CO 0.02 0.51 0.16 0.00 0.37 0.00 0.00 175.52 176.58 2voc h ALA 64 N 0.72 0.85 -0.31 6.16 0.00 -1.82 -1.30 119.26 123.57 2voc h ALA 64 Ca 0.04 0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.99 2voc h ALA 64 Cb 0.96 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 2voc h ALA 64 CO 0.09 -0.32 -0.27 0.78 0.00 0.00 0.00 179.25 179.53 2voc h GLY 65 N 0.27 0.67 2.00 0.00 0.00 -1.80 -0.14 103.07 104.07 2voc h GLY 65 Ca 0.37 -0.58 -0.01 0.00 0.00 0.00 0.00 47.33 47.11 2voc h GLY 65 CO -0.46 0.53 -0.04 0.50 0.00 0.00 0.00 176.54 177.07 2voc h LYS 66 N 0.54 0.00 -0.26 4.80 1.57 -1.26 -3.04 116.57 118.92 2voc h LYS 66 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 2voc h LYS 66 Cb 0.75 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.06 2voc h LYS 66 CO 0.06 0.04 0.00 0.66 -0.57 0.00 0.00 179.45 179.64 2voc n TYR 67 N -3.22 0.45 -2.13 -1.35 4.01 -0.84 -5.00 117.16 109.07 2voc n TYR 67 Ca -0.01 -0.59 -0.16 0.00 -0.16 0.00 0.00 57.90 56.98 2voc n TYR 67 Cb 0.23 -0.09 -0.02 0.00 -0.31 0.00 0.00 39.34 39.16 2voc n TYR 67 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2voc n GLY 68 N 0.06 0.10 3.63 2.72 0.00 -0.81 -4.94 105.19 105.95 2voc n GLY 68 Ca 0.12 -0.22 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 2voc n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2voc s VAL 69 N -2.76 4.29 -0.60 1.61 1.01 -0.13 -4.85 120.40 118.97 2voc s VAL 69 Ca 0.00 1.43 0.19 0.00 0.00 0.00 0.00 61.98 63.60 2voc s VAL 69 Cb 0.00 -4.36 -0.24 0.00 0.00 0.00 0.00 36.38 31.78 2voc s VAL 69 CO 0.00 -0.61 0.68 0.23 0.00 0.00 0.00 175.10 175.40 2voc n MET 70 N 7.29 0.68 -3.44 2.72 2.81 -1.26 -4.57 117.12 121.36 2voc n MET 70 Ca 0.13 -0.06 -0.11 0.00 -1.81 0.00 0.00 57.70 55.85 2voc n MET 70 Cb 0.47 -1.42 -0.02 0.00 -0.71 0.00 0.00 33.22 31.54 2voc n MET 70 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 2voc s SER 71 N -3.29 -0.54 0.05 7.83 1.04 -1.26 -5.17 113.70 112.36 2voc s SER 71 Ca 0.02 -0.00 0.07 0.00 0.48 0.00 0.00 55.95 56.51 2voc s SER 71 Cb 0.14 0.57 -0.03 0.00 0.10 0.00 0.00 66.02 66.80 2voc s SER 71 CO 0.79 -0.92 -0.19 0.27 0.98 0.00 0.00 173.24 174.17 2voc s ILE 72 N -3.66 1.52 0.51 -1.02 -4.36 -1.26 -3.89 121.20 109.04 2voc s ILE 72 Ca 0.02 -1.18 -0.18 0.00 -0.26 0.00 0.00 60.65 59.05 2voc s ILE 72 Cb -0.01 -1.34 -0.08 0.00 1.25 0.00 0.00 42.46 42.28 2voc s ILE 72 CO -0.12 0.12 0.99 -2.16 0.24 0.00 0.00 174.94 174.02 2voc s PRO 73 N -1.24 3.89 -0.04 0.37 0.04 -1.26 -4.86 135.00 131.90 2voc s PRO 73 Ca 0.06 1.07 0.01 0.00 0.04 0.00 0.00 61.00 62.18 2voc s PRO 73 Cb -0.09 -2.12 0.02 0.00 0.04 0.00 0.00 34.50 32.35 2voc s PRO 73 CO 0.02 -0.32 -0.05 0.99 0.04 0.00 0.00 177.00 177.67 2voc s THR 74 N -2.45 0.58 0.01 1.26 2.01 -1.03 -0.93 115.64 115.09 2voc s THR 74 Ca 0.61 -0.17 0.03 0.00 0.31 0.00 0.00 61.69 62.47 2voc s THR 74 Cb -0.11 -0.58 -0.03 0.00 0.01 0.00 0.00 72.50 71.78 2voc s THR 74 CO 0.27 0.22 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.63 2voc s LEU 75 N 0.74 3.29 0.12 4.42 1.02 0.29 -1.32 118.68 127.25 2voc s LEU 75 Ca -0.10 -0.11 0.09 0.00 0.02 0.00 0.00 54.13 54.03 2voc s LEU 75 Cb -0.13 -1.90 -0.04 0.00 0.02 0.00 0.00 46.19 44.15 2voc s LEU 75 CO 0.01 0.28 -0.22 -0.76 0.02 0.00 0.00 176.35 175.67 2voc s LEU 76 N -1.51 2.33 -0.15 1.79 1.43 0.05 -0.57 118.68 122.05 2voc s LEU 76 Ca 0.18 -0.74 -0.04 0.00 -1.03 0.00 0.00 54.13 52.51 2voc s LEU 76 Cb -0.11 -0.97 -0.03 0.00 0.03 0.00 0.00 46.19 45.10 2voc s LEU 76 CO 0.09 0.08 -0.02 -0.69 0.23 0.00 0.00 176.35 176.04 2voc s VAL 77 N -1.29 4.08 -0.04 -1.59 1.01 0.10 -0.28 120.40 122.38 2voc s VAL 77 Ca 0.10 -0.30 0.06 0.00 0.00 0.00 0.00 61.98 61.85 2voc s VAL 77 Cb -0.09 -2.78 -0.01 0.00 0.00 0.00 0.00 36.38 33.49 2voc s VAL 77 CO 0.05 0.50 -0.23 -0.76 0.00 0.00 0.00 175.10 174.67 2voc s LEU 78 N 0.18 2.03 -0.19 3.92 1.02 0.07 -0.11 118.68 125.60 2voc s LEU 78 Ca -0.01 -0.46 0.01 0.00 0.02 0.00 0.00 54.13 53.69 2voc s LEU 78 Cb -0.13 -1.26 0.02 0.00 0.02 0.00 0.00 46.19 44.84 2voc s LEU 78 CO 0.02 0.24 -0.19 -0.75 0.02 0.00 0.00 176.35 175.70 2voc s LYS 79 N -0.23 2.97 -1.35 1.70 2.47 -0.11 -1.01 119.74 124.17 2voc s LYS 79 Ca -0.00 -0.85 -0.07 0.00 -1.56 0.00 0.00 55.97 53.49 2voc s LYS 79 Cb -0.12 -2.61 0.04 0.00 -1.46 0.00 0.00 37.83 33.68 2voc s LYS 79 CO 0.02 -0.23 0.46 -0.25 0.16 0.00 0.00 175.35 175.51 2voc n ASP 80 N 4.62 -4.52 0.00 1.43 8.00 -0.08 -1.40 116.55 124.61 2voc n ASP 80 Ca -0.20 -0.28 0.00 0.00 0.71 0.00 0.00 54.79 55.01 2voc n ASP 80 Cb 0.50 -3.71 0.00 0.00 -0.02 0.00 0.00 41.12 37.88 2voc n ASP 80 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2voc n GLY 81 N -1.24 0.73 3.58 0.44 0.00 -1.07 -4.78 105.19 102.86 2voc n GLY 81 Ca -0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 2voc n GLY 81 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2voc s GLU 82 N -0.55 3.73 -0.01 1.61 2.12 -0.49 -4.97 118.70 120.13 2voc s GLU 82 Ca 0.00 -0.43 -0.30 0.00 0.36 0.00 0.00 54.97 54.60 2voc s GLU 82 Cb 0.00 -3.03 -0.06 0.00 0.26 0.00 0.00 34.13 31.30 2voc s GLU 82 CO 0.00 0.31 1.67 0.08 -0.54 0.00 0.00 175.26 176.78 2voc s VAL 83 N 0.22 3.41 -0.14 3.70 1.01 -1.26 -0.94 120.40 126.40 2voc s VAL 83 Ca 0.01 0.61 0.03 0.00 0.00 0.00 0.00 61.98 62.63 2voc s VAL 83 Cb -0.13 -3.40 -0.04 0.00 0.00 0.00 0.00 36.38 32.82 2voc s VAL 83 CO 0.02 -0.04 0.13 1.33 0.00 0.00 0.00 175.10 176.54 2voc n VAL 84 N 5.27 0.00 -3.74 2.92 0.24 0.84 -4.94 118.33 118.91 2voc n VAL 84 Ca 0.17 -0.40 -0.13 0.00 -2.04 0.00 0.00 64.34 61.94 2voc n VAL 84 Cb 0.42 0.96 -0.08 0.00 -1.47 0.00 0.00 33.84 33.67 2voc n VAL 84 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2voc s GLU 85 N -1.37 0.70 -0.04 7.34 0.41 -0.96 -4.96 118.70 119.82 2voc s GLU 85 Ca 0.01 -0.19 0.04 0.00 -0.41 0.00 0.00 54.97 54.42 2voc s GLU 85 Cb 0.02 0.31 -0.00 0.00 -1.78 0.00 0.00 34.13 32.68 2voc s GLU 85 CO 0.13 -0.20 -0.17 0.99 -0.49 0.00 0.00 175.26 175.52 2voc s THR 86 N -1.41 1.42 -0.26 3.63 2.01 -1.26 -0.72 115.64 119.04 2voc s THR 86 Ca -0.13 -0.71 -0.03 0.00 0.31 0.00 0.00 61.69 61.14 2voc s THR 86 Cb -0.05 -1.22 0.08 0.00 0.01 0.00 0.00 72.50 71.33 2voc s THR 86 CO 0.04 0.41 0.09 -0.55 -0.69 0.00 0.00 174.62 173.92 2voc s SER 87 N 0.03 3.41 -0.18 3.53 0.15 0.27 -5.01 113.70 115.89 2voc s SER 87 Ca -0.03 -1.20 -0.13 0.00 0.70 0.00 0.00 55.95 55.29 2voc s SER 87 Cb -0.11 -0.58 -0.05 0.00 -1.71 0.00 0.00 66.02 63.57 2voc s SER 87 CO 0.02 -0.38 0.24 -0.69 1.20 0.00 0.00 173.24 173.63 2voc s VAL 88 N 1.87 5.34 0.00 4.45 1.01 -1.26 -0.54 120.40 131.27 2voc s VAL 88 Ca 0.06 0.43 0.00 0.00 0.00 0.00 0.00 61.98 62.47 2voc s VAL 88 Cb -0.17 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.63 2voc s VAL 88 CO -0.22 0.40 0.00 0.61 0.00 0.00 0.00 175.10 175.89 2voc n GLY 89 N 3.46 -4.04 3.74 4.51 0.00 -0.11 -4.93 105.19 107.82 2voc n GLY 89 Ca -0.13 -2.06 -0.41 0.00 0.00 0.00 0.00 46.02 43.42 2voc n GLY 89 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2voc s PHE 90 N -0.93 3.15 0.01 1.61 5.36 -1.26 -4.79 117.98 121.13 2voc s PHE 90 Ca 0.00 1.14 0.01 0.00 -0.96 0.00 0.00 56.93 57.12 2voc s PHE 90 Cb 0.00 -3.70 -0.01 0.00 -0.34 0.00 0.00 43.02 38.97 2voc s PHE 90 CO 0.00 -2.23 -0.05 0.15 -1.46 0.00 0.00 175.22 171.63 2voc s LYS 91 N -0.26 0.40 0.94 10.12 -0.14 -1.26 -5.17 119.74 124.37 2voc s LYS 91 Ca 0.58 -0.36 -0.15 0.00 -1.36 0.00 0.00 55.97 54.68 2voc s LYS 91 Cb -0.39 -0.29 0.17 0.00 -1.68 0.00 0.00 37.83 35.64 2voc s LYS 91 CO 0.41 0.07 1.22 -1.25 -0.76 0.00 0.00 175.35 175.03 2voc s PRO 92 N -0.63 0.85 0.19 -1.68 0.04 -1.26 -4.80 135.00 127.70 2voc s PRO 92 Ca -0.03 -0.08 -0.13 0.00 0.04 0.00 0.00 61.00 60.80 2voc s PRO 92 Cb -0.05 -1.84 0.19 0.00 0.04 0.00 0.00 34.50 32.84 2voc s PRO 92 CO -0.00 -2.33 1.72 -0.22 0.04 0.00 0.00 177.00 176.21 2voc h LYS 93 N -1.58 0.25 -0.64 4.56 3.64 -2.00 -2.25 116.57 118.54 2voc h LYS 93 Ca -0.46 -0.01 0.06 0.00 -1.27 0.00 0.00 60.65 58.96 2voc h LYS 93 Cb 1.29 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 33.00 2voc h LYS 93 CO 0.50 0.16 0.35 0.93 -2.27 0.00 0.00 179.45 179.13 2voc h GLU 94 N 0.25 0.64 -0.43 1.90 3.07 -1.99 0.33 114.58 118.36 2voc h GLU 94 Ca 0.25 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 59.07 2voc h GLU 94 Cb 0.32 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 28.07 2voc h GLU 94 CO -0.31 0.42 0.27 0.00 -1.40 0.00 0.00 179.01 177.99 2voc h ALA 95 N 1.34 0.55 -0.20 3.43 0.00 -1.78 -1.19 119.26 121.40 2voc h ALA 95 Ca 0.29 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 55.01 2voc h ALA 95 Cb 0.18 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2voc h ALA 95 CO -0.18 0.02 -0.48 -0.07 0.00 0.00 0.00 179.25 178.54 2voc h LEU 96 N 0.58 0.56 -0.53 0.00 3.38 -0.97 -2.20 115.31 116.13 2voc h LEU 96 Ca 0.16 -0.27 0.02 0.00 0.09 0.00 0.00 57.88 57.87 2voc h LEU 96 Cb -0.03 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 2voc h LEU 96 CO -0.03 0.95 0.33 -0.61 0.09 0.00 0.00 178.44 179.16 2voc h GLN 97 N 0.41 0.64 -0.35 1.13 4.15 -0.85 -1.12 115.11 119.11 2voc h GLN 97 Ca 0.02 -0.04 0.04 0.00 0.77 0.00 0.00 58.65 59.45 2voc h GLN 97 Cb 0.99 -0.14 -0.04 0.00 0.21 0.00 0.00 27.48 28.49 2voc h GLN 97 CO 0.09 0.42 0.11 1.49 -1.93 0.00 0.00 178.83 179.01 2voc h GLU 98 N 0.66 0.24 -0.04 1.69 4.81 -0.87 -0.76 114.58 120.31 2voc h GLU 98 Ca 0.21 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.42 2voc h GLU 98 Cb -0.01 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.32 2voc h GLU 98 CO -0.08 0.16 0.02 -0.07 -0.73 0.00 0.00 179.01 178.31 2voc h LEU 99 N 0.25 0.05 -0.93 1.64 3.38 -0.87 -2.81 115.31 116.02 2voc h LEU 99 Ca 0.16 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 2voc h LEU 99 Cb 0.15 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 40.85 2voc h LEU 99 CO -0.18 0.10 0.58 0.58 0.09 0.00 0.00 178.44 179.60 2voc h VAL 100 N 0.00 1.25 0.00 1.22 2.07 -1.08 -2.84 116.25 116.87 2voc h VAL 100 Ca 0.01 -0.52 -0.03 0.00 0.82 0.00 0.00 66.70 66.99 2voc h VAL 100 Cb 0.05 -0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 29.75 2voc h VAL 100 CO -0.00 0.26 -0.15 0.78 0.02 0.00 0.00 177.57 178.48 2voc h ASN 101 N 1.27 0.00 0.03 0.57 2.35 -1.02 0.13 115.58 118.91 2voc h ASN 101 Ca 0.33 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.08 2voc h ASN 101 Cb -0.08 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.29 2voc h ASN 101 CO -0.07 0.15 0.00 0.29 -1.65 0.00 0.00 177.43 176.15 2voc n LYS 102 N -4.09 0.01 -0.14 0.81 5.02 -1.07 -2.20 118.16 116.50 2voc n LYS 102 Ca -0.02 0.39 0.04 0.00 -2.02 0.00 0.00 58.31 56.69 2voc n LYS 102 Cb 0.23 -1.50 0.05 0.00 -0.02 0.00 0.00 35.03 33.79 2voc n LYS 102 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2voc n HIS 103 N -1.41 0.00 -4.38 2.13 8.25 0.02 -5.02 115.22 114.82 2voc n HIS 103 Ca 0.00 -0.49 -0.23 0.00 -0.26 0.00 0.00 57.72 56.75 2voc n HIS 103 Cb 0.01 -0.08 -0.11 0.00 1.12 0.00 0.00 29.99 30.93 2voc n HIS 103 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2voc s LEU 104 N -1.30 2.48 0.30 2.41 1.43 -0.93 -4.99 118.68 118.08 2voc s LEU 104 Ca 0.12 -0.92 -0.30 0.00 -1.03 0.00 0.00 54.13 52.00 2voc s LEU 104 Cb 0.10 -0.93 -0.11 0.00 0.03 0.00 0.00 46.19 45.28 2voc s LEU 104 CO 0.01 -0.01 1.60 -0.76 0.23 0.00 0.00 176.35 177.42 2voc s LEU 105 N -2.91 4.34 0.04 1.79 1.43 -1.26 -4.92 118.68 117.18 2voc s LEU 105 Ca 0.20 2.98 0.07 0.00 -1.03 0.00 0.00 54.13 56.35 2voc s LEU 105 Cb -0.05 -3.64 -0.23 0.00 0.03 0.00 0.00 46.19 42.30 2voc s LEU 105 CO 0.09 -0.93 0.96 -0.33 0.23 0.00 0.00 176.35 176.37 2voc h GLU 106 N 4.72 0.06 -6.29 1.70 5.08 -1.99 -3.47 114.58 114.38 2voc h GLU 106 Ca -0.47 -0.10 -0.60 0.00 -1.00 0.00 0.00 59.36 57.19 2voc h GLU 106 Cb 1.22 0.04 -0.17 0.00 0.50 0.00 0.00 28.75 30.34 2voc h GLU 106 CO 0.79 0.85 -0.79 -1.01 -1.00 0.00 0.00 179.01 177.84 2voc s HIS 107 N -2.65 2.14 -0.32 4.33 3.76 -1.26 -5.11 115.29 116.19 2voc s HIS 107 Ca -0.03 -0.39 -0.02 0.00 -0.15 0.00 0.00 55.06 54.47 2voc s HIS 107 Cb 0.09 -1.03 0.11 0.00 1.11 0.00 0.00 32.58 32.86 2voc s HIS 107 CO 0.83 0.50 0.15 -1.01 -0.85 0.00 0.00 174.74 174.36 2voc s HIS 108 N -2.04 0.89 0.13 1.40 3.76 -1.26 -5.12 115.29 113.05 2voc s HIS 108 Ca 0.22 -1.40 -0.30 0.00 -0.15 0.00 0.00 55.06 53.43 2voc s HIS 108 Cb -0.06 -1.19 -0.07 0.00 1.11 0.00 0.00 32.58 32.38 2voc s HIS 108 CO 0.10 -0.84 1.13 -1.58 -0.85 0.00 0.00 174.74 172.70 2voc s HIS 109 N 1.58 3.54 -0.23 1.40 5.04 -1.26 -5.02 115.29 120.33 2voc s HIS 109 Ca 0.12 1.50 -0.06 0.00 -1.54 0.00 0.00 55.06 55.07 2voc s HIS 109 Cb -0.19 -3.32 -0.02 0.00 0.04 0.00 0.00 32.58 29.09 2voc s HIS 109 CO -0.22 -0.82 0.04 -1.58 -2.34 0.00 0.00 174.74 169.82 2voc s HIS 110 N 0.28 3.06 -2.18 3.88 2.46 -1.26 -5.32 115.29 116.21 2voc s HIS 110 Ca 0.53 -0.50 0.31 0.00 0.47 0.00 0.00 55.06 55.86 2voc s HIS 110 Cb -0.29 -2.18 1.60 0.00 -0.13 0.00 0.00 32.58 31.58 2voc s HIS 110 CO 0.33 -0.36 2.06 1.58 -2.47 0.00 0.00 174.74 175.88