#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1non s GLN 2 N 0.00 4.14 0.08 2.12 0.74 -1.26 -0.64 119.66 124.84 1non s GLN 2 Ca 0.00 1.14 0.21 0.00 0.05 0.00 0.00 55.36 56.76 1non s GLN 2 Cb 0.00 -3.70 -0.14 0.00 1.10 0.00 0.00 33.01 30.27 1non s GLN 2 CO 0.00 -0.77 0.78 1.63 -0.55 0.00 0.00 175.29 176.38 1non n LYS 3 N 6.59 0.63 -3.64 1.67 4.76 0.19 -4.97 118.16 123.39 1non n LYS 3 Ca 0.11 0.05 -0.03 0.00 -2.87 0.00 0.00 58.31 55.58 1non n LYS 3 Cb 0.47 -1.72 -0.03 0.00 -1.84 0.00 0.00 35.03 31.90 1non n LYS 3 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1non s ALA 4 N -3.24 -2.13 -0.22 7.82 0.00 -1.00 -4.95 121.76 118.03 1non s ALA 4 Ca -0.04 1.86 -0.05 0.00 0.00 0.00 0.00 51.96 53.73 1non s ALA 4 Cb 0.10 -1.06 -0.02 0.00 0.00 0.00 0.00 23.12 22.14 1non s ALA 4 CO 0.83 -0.36 0.01 0.08 0.00 0.00 0.00 175.76 176.32 1non s VAL 5 N -1.43 3.88 -0.30 0.00 1.01 -1.26 0.34 120.40 122.64 1non s VAL 5 Ca 0.09 -0.33 0.11 0.00 0.00 0.00 0.00 61.98 61.85 1non s VAL 5 Cb -0.01 -2.78 -0.14 0.00 0.00 0.00 0.00 36.38 33.45 1non s VAL 5 CO -0.06 0.40 0.37 1.33 0.00 0.00 0.00 175.10 177.14 1non n VAL 6 N 4.58 0.00 -3.68 2.92 0.24 -0.06 -4.96 118.33 117.37 1non n VAL 6 Ca -0.17 -0.25 -0.12 0.00 -2.04 0.00 0.00 64.34 61.76 1non n VAL 6 Cb 0.51 0.68 -0.13 0.00 -1.47 0.00 0.00 33.84 33.44 1non n VAL 6 CO 0.00 0.00 0.00 -0.04 -2.14 0.00 0.00 176.83 174.65 1non s MET 7 N -2.33 0.20 0.54 7.34 -1.94 -1.04 -4.98 119.30 117.09 1non s MET 7 Ca 0.01 0.73 0.09 0.00 -1.71 0.00 0.00 55.69 54.81 1non s MET 7 Cb 0.08 -0.01 0.06 0.00 2.01 0.00 0.00 34.83 36.97 1non s MET 7 CO 0.45 -0.24 0.70 0.16 -0.01 0.00 0.00 175.02 176.08 1non s ASP 8 N 2.07 5.17 0.37 3.03 -4.77 -1.26 -0.84 116.67 120.43 1non s ASP 8 Ca -0.03 -0.80 0.12 0.00 -3.30 0.00 0.00 52.55 48.55 1non s ASP 8 Cb -0.11 0.10 0.91 0.00 -1.09 0.00 0.00 42.92 42.72 1non s ASP 8 CO -0.09 -1.19 1.83 -0.08 0.70 0.00 0.00 175.17 176.34 1non h GLU 9 N 0.34 0.58 -0.17 2.11 4.81 -1.94 -0.85 114.58 119.46 1non h GLU 9 Ca -0.33 -0.03 -0.17 0.00 -0.13 0.00 0.00 59.36 58.70 1non h GLU 9 Cb 1.29 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.53 1non h GLU 9 CO 0.43 0.38 -0.58 0.37 -0.73 0.00 0.00 179.01 178.88 1non h GLN 10 N 0.59 0.55 -0.20 1.92 4.15 -1.94 -0.90 115.11 119.28 1non h GLN 10 Ca 0.50 -0.36 -0.12 0.00 0.77 0.00 0.00 58.65 59.44 1non h GLN 10 Cb 0.98 0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.72 1non h GLN 10 CO -0.25 0.98 -0.36 0.00 -1.93 0.00 0.00 178.83 177.27 1non h ALA 11 N 0.94 0.31 -0.12 3.38 0.00 -1.71 -0.79 119.26 121.28 1non h ALA 11 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1non h ALA 11 Cb 1.14 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1non h ALA 11 CO 0.11 0.38 0.08 0.82 0.00 0.00 0.00 179.25 180.63 1non h ILE 12 N 0.27 1.03 -0.65 0.00 2.04 -1.17 0.90 117.51 119.93 1non h ILE 12 Ca 0.01 -0.07 0.03 0.00 1.00 0.00 0.00 64.86 65.84 1non h ILE 12 Cb 0.95 0.87 -0.04 0.00 -0.74 0.00 0.00 36.82 37.86 1non h ILE 12 CO 0.08 0.03 0.40 -0.09 0.00 0.00 0.00 178.15 178.57 1non h ARG 13 N 0.15 0.75 0.00 2.37 2.43 -1.11 -0.01 114.38 118.96 1non h ARG 13 Ca 0.04 -0.04 -0.11 0.00 -0.81 0.00 0.00 59.98 59.06 1non h ARG 13 Cb -0.01 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.35 1non h ARG 13 CO -0.01 0.49 -0.52 0.00 -1.51 0.00 0.00 179.97 178.43 1non h ARG 14 N 0.77 0.00 -0.13 0.20 3.08 -0.79 -2.08 114.38 115.43 1non h ARG 14 Ca 0.26 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 60.17 1non h ARG 14 Cb 0.04 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.10 1non h ARG 14 CO -0.11 0.52 -0.48 0.00 -1.07 0.00 0.00 179.97 178.83 1non h ALA 15 N 1.48 0.23 -0.57 0.04 0.00 -0.25 -2.22 119.26 117.97 1non h ALA 15 Ca -0.01 -0.49 -0.04 0.00 0.00 0.00 0.00 54.91 54.37 1non h ALA 15 Cb 1.06 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 1non h ALA 15 CO 0.07 0.39 0.19 -0.07 0.00 0.00 0.00 179.25 179.83 1non h LEU 16 N 0.16 0.81 -0.30 0.00 3.38 -0.97 -0.25 115.31 118.14 1non h LEU 16 Ca -0.02 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.73 1non h LEU 16 Cb 1.11 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 1non h LEU 16 CO 0.10 0.79 0.12 0.74 0.09 0.00 0.00 178.44 180.28 1non h THR 17 N 0.79 1.18 -0.66 0.22 2.02 -1.41 -1.57 112.91 113.49 1non h THR 17 Ca 0.18 -0.56 -0.02 0.00 0.77 0.00 0.00 66.41 66.79 1non h THR 17 Cb 0.26 0.98 -0.03 0.00 -1.74 0.00 0.00 68.15 67.62 1non h THR 17 CO -0.01 0.19 0.34 -0.09 0.37 0.00 0.00 175.52 176.32 1non h ARG 18 N 0.34 0.92 -0.65 6.66 2.43 -1.21 -2.39 114.38 120.47 1non h ARG 18 Ca 0.10 -0.11 -0.08 0.00 -0.81 0.00 0.00 59.98 59.08 1non h ARG 18 Cb 0.19 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.53 1non h ARG 18 CO -0.01 0.69 0.09 0.82 -1.51 0.00 0.00 179.97 180.05 1non h ILE 19 N 0.92 1.26 -0.78 1.20 2.04 -0.69 -0.07 117.51 121.38 1non h ILE 19 Ca 0.23 -1.06 0.04 0.00 1.00 0.00 0.00 64.86 65.07 1non h ILE 19 Cb 0.06 0.68 -0.05 0.00 -0.74 0.00 0.00 36.82 36.77 1non h ILE 19 CO -0.03 0.39 0.49 0.00 0.00 0.00 0.00 178.15 179.00 1non h ALA 20 N 1.03 1.04 -0.34 1.87 0.00 -0.81 0.45 119.26 122.50 1non h ALA 20 Ca 0.19 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.97 1non h ALA 20 Cb 0.46 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1non h ALA 20 CO 0.02 0.27 -0.27 0.45 0.00 0.00 0.00 179.25 179.72 1non h HIS 21 N 0.94 0.80 -0.50 0.00 3.86 -1.11 -1.95 115.15 117.19 1non h HIS 21 Ca 0.32 -0.19 -0.09 0.00 -1.16 0.00 0.00 60.37 59.25 1non h HIS 21 Cb 0.07 -0.19 -0.02 0.00 1.06 0.00 0.00 27.41 28.33 1non h HIS 21 CO -0.04 0.89 -0.05 0.93 0.86 0.00 0.00 177.93 180.53 1non h GLU 22 N 0.61 0.91 0.14 2.45 5.08 0.57 -0.88 114.58 123.45 1non h GLU 22 Ca 0.08 -0.31 -0.01 0.00 -1.00 0.00 0.00 59.36 58.12 1non h GLU 22 Cb 0.76 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.94 1non h GLU 22 CO 0.06 0.96 -0.08 0.82 -1.00 0.00 0.00 179.01 179.78 1non h ILE 23 N 0.77 0.84 -0.51 3.13 2.04 -0.01 -0.21 117.51 123.55 1non h ILE 23 Ca 0.13 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.01 1non h ILE 23 Cb 0.58 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 37.47 1non h ILE 23 CO 0.03 0.00 0.33 0.40 0.00 0.00 0.00 178.15 178.91 1non h ILE 24 N -0.21 1.11 0.27 -0.67 2.04 -1.30 -2.41 117.51 116.33 1non h ILE 24 Ca -0.02 -0.23 -0.01 0.00 1.00 0.00 0.00 64.86 65.60 1non h ILE 24 Cb 0.17 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 36.63 1non h ILE 24 CO 0.02 0.12 -0.13 -0.08 0.00 0.00 0.00 178.15 178.08 1non h GLU 25 N 0.67 -0.35 0.00 2.37 4.81 -0.94 0.14 114.58 121.28 1non h GLU 25 Ca 0.19 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.45 1non h GLU 25 Cb -0.05 0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.41 1non h GLU 25 CO -0.06 -0.21 0.00 0.00 -0.73 0.00 0.00 179.01 178.01 1non h ARG 26 N -0.40 0.00 -0.24 1.92 3.08 -0.96 -2.49 114.38 115.29 1non h ARG 26 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1non h ARG 26 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.35 1non h ARG 26 CO 0.06 0.00 0.00 0.09 -1.07 0.00 0.00 179.97 179.05 1non n ASN 27 N -2.84 2.70 -3.82 7.04 3.02 -0.92 -4.98 115.26 115.47 1non n ASN 27 Ca 0.00 -1.80 -0.24 0.00 -0.03 0.00 0.00 54.58 52.51 1non n ASN 27 Cb 0.22 -0.15 0.01 0.00 -0.61 0.00 0.00 39.78 39.25 1non n ASN 27 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1non n LYS 28 N 0.79 -4.45 0.00 3.52 5.02 -0.21 -4.64 118.16 118.18 1non n LYS 28 Ca 0.12 0.55 0.00 0.00 -2.02 0.00 0.00 58.31 56.95 1non n LYS 28 Cb 0.42 -5.02 0.00 0.00 -0.02 0.00 0.00 35.03 30.41 1non n LYS 28 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1non n GLY 29 N -1.70 2.00 1.18 0.72 0.00 -0.13 -4.84 105.19 102.41 1non n GLY 29 Ca -0.25 -2.10 0.09 0.00 0.00 0.00 0.00 46.02 43.76 1non n GLY 29 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1non n ILE 30 N 0.18 1.33 -1.68 -0.61 -6.64 -1.26 -4.76 119.36 105.91 1non n ILE 30 Ca 0.00 -1.12 -0.45 0.00 -1.77 0.00 0.00 62.75 59.41 1non n ILE 30 Cb 0.00 0.34 -0.04 0.00 -1.44 0.00 0.00 39.64 38.51 1non n ILE 30 CO 0.00 0.00 0.00 0.47 -1.77 0.00 0.00 176.55 175.25 1non n ASP 31 N 1.03 3.22 0.00 7.28 9.92 -1.26 -1.58 116.55 135.15 1non n ASP 31 Ca 0.21 1.09 0.00 0.00 -0.53 0.00 0.00 54.79 55.56 1non n ASP 31 Cb 0.66 -1.46 0.00 0.00 -0.64 0.00 0.00 41.12 39.68 1non n ASP 31 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1non n GLY 32 N 3.26 0.53 3.94 0.44 0.00 -1.26 -4.95 105.19 107.14 1non n GLY 32 Ca 0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 1non n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1non s VAL 34 N -2.37 -0.03 -0.35 0.00 1.01 -0.55 -4.30 120.40 113.82 1non s VAL 34 Ca 0.41 0.12 -0.14 0.00 0.00 0.00 0.00 61.98 62.37 1non s VAL 34 Cb -0.10 -0.43 -0.01 0.00 0.00 0.00 0.00 36.38 35.84 1non s VAL 34 CO 0.37 0.05 0.31 -0.76 0.00 0.00 0.00 175.10 175.07 1non s LEU 35 N 1.19 4.54 -0.41 3.92 1.43 -0.40 -0.34 118.68 128.61 1non s LEU 35 Ca -0.09 -0.38 -0.07 0.00 -1.03 0.00 0.00 54.13 52.57 1non s LEU 35 Cb -0.09 -2.25 0.08 0.00 0.03 0.00 0.00 46.19 43.97 1non s LEU 35 CO -0.09 -0.31 0.22 -0.69 0.23 0.00 0.00 176.35 175.71 1non s VAL 36 N 1.88 3.85 0.25 -1.59 1.01 -0.42 -0.76 120.40 124.63 1non s VAL 36 Ca 0.09 -1.58 -0.30 0.00 0.00 0.00 0.00 61.98 60.20 1non s VAL 36 Cb -0.17 -3.42 -0.09 0.00 0.00 0.00 0.00 36.38 32.70 1non s VAL 36 CO 0.11 -0.52 1.11 -0.83 0.00 0.00 0.00 175.10 174.97 1non s GLY 37 N 1.98 3.00 0.42 4.51 0.00 -0.66 -1.03 107.32 115.53 1non s GLY 37 Ca 0.03 0.89 0.08 0.00 0.00 0.00 0.00 44.72 45.72 1non s GLY 37 CO 0.00 1.56 0.50 -0.42 0.00 0.00 0.00 173.10 174.73 1non s ILE 38 N -0.91 2.83 0.00 0.90 1.01 0.04 -1.22 121.20 123.85 1non s ILE 38 Ca 0.46 -1.14 0.00 0.00 0.00 0.00 0.00 60.65 59.97 1non s ILE 38 Cb -0.32 -2.98 0.00 0.00 0.01 0.00 0.00 42.46 39.18 1non s ILE 38 CO 0.40 0.00 0.00 2.29 0.00 0.00 0.00 174.94 177.63 1non n LYS 39 N -1.73 0.00 0.03 2.79 2.85 -1.09 -2.35 118.16 118.66 1non n LYS 39 Ca 0.06 0.00 -0.01 0.00 -1.05 0.00 0.00 58.31 57.32 1non n LYS 39 Cb 0.60 0.00 -0.00 0.00 -0.65 0.00 0.00 35.03 34.98 1non n LYS 39 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 1non n THR 40 N 0.00 0.90 0.22 0.58 -2.24 -1.26 -4.80 114.28 107.68 1non n THR 40 Ca 0.00 0.29 0.11 0.00 -2.27 0.00 0.00 64.05 62.18 1non n THR 40 Cb 0.00 -1.48 0.42 0.00 -2.10 0.00 0.00 70.33 67.17 1non n THR 40 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1non h ARG 41 N -0.06 0.00 0.00 -0.78 3.08 -1.99 -3.01 114.38 111.63 1non h ARG 41 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1non h ARG 41 Cb 0.06 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.11 1non h ARG 41 CO 0.00 0.17 -0.06 0.78 -1.07 0.00 0.00 179.97 179.79 1non h GLY 42 N 2.51 0.00 0.98 0.04 0.00 -1.70 -2.17 103.07 102.73 1non h GLY 42 Ca -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.24 1non h GLY 42 CO 0.02 0.00 -0.11 -2.22 0.00 0.00 0.00 176.54 174.23 1non h ILE 43 N 0.00 1.28 -0.41 2.60 2.04 -1.52 -1.54 117.51 119.95 1non h ILE 43 Ca -0.00 -1.20 -0.10 0.00 1.00 0.00 0.00 64.86 64.56 1non h ILE 43 Cb 0.23 1.24 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 1non h ILE 43 CO 0.01 0.40 -0.13 1.88 0.00 0.00 0.00 178.15 180.31 1non h TYR 44 N 0.58 0.91 -0.93 1.37 0.05 -1.56 -1.64 116.97 115.74 1non h TYR 44 Ca 0.10 -0.21 0.00 0.00 0.05 0.00 0.00 58.73 58.67 1non h TYR 44 Cb 0.64 -0.22 -0.05 0.00 1.01 0.00 0.00 36.73 38.11 1non h TYR 44 CO 0.05 0.95 0.60 -0.07 -1.05 0.00 0.00 178.16 178.63 1non h LEU 45 N 0.62 1.09 -0.88 3.88 3.38 -1.42 -0.12 115.31 121.85 1non h LEU 45 Ca 0.10 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 1non h LEU 45 Cb 0.67 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 1non h LEU 45 CO 0.05 0.81 0.20 0.00 0.09 0.00 0.00 178.44 179.59 1non h ALA 46 N 1.33 1.10 -0.46 1.53 0.00 -1.03 -0.58 119.26 121.14 1non h ALA 46 Ca 0.34 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 1non h ALA 46 Cb -0.11 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.40 1non h ALA 46 CO -0.07 0.62 -0.16 0.00 0.00 0.00 0.00 179.25 179.64 1non h ARG 47 N 0.99 0.88 -0.46 0.00 3.08 -0.30 0.18 114.38 118.75 1non h ARG 47 Ca 0.22 -0.33 -0.11 0.00 0.07 0.00 0.00 59.98 59.82 1non h ARG 47 Cb 0.29 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 1non h ARG 47 CO -0.01 0.98 -0.16 0.00 -1.07 0.00 0.00 179.97 179.71 1non h ARG 48 N 0.78 0.91 -0.08 0.04 3.08 -0.75 -1.82 114.38 116.55 1non h ARG 48 Ca 0.12 -0.37 -0.01 0.00 0.07 0.00 0.00 59.98 59.79 1non h ARG 48 Cb 0.69 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.70 1non h ARG 48 CO 0.05 1.03 0.03 -0.07 -1.07 0.00 0.00 179.97 179.94 1non h LEU 49 N 0.75 0.11 -0.81 3.04 3.38 -0.83 -1.02 115.31 119.94 1non h LEU 49 Ca 0.11 -0.18 0.13 0.00 0.09 0.00 0.00 57.88 58.03 1non h LEU 49 Cb 0.72 -0.03 -0.09 0.00 0.09 0.00 0.00 40.66 41.35 1non h LEU 49 CO 0.05 0.26 0.41 0.00 0.09 0.00 0.00 178.44 179.25 1non h ALA 50 N 0.86 1.18 -0.49 1.53 0.00 -0.54 0.05 119.26 121.84 1non h ALA 50 Ca 0.03 0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 1non h ALA 50 Cb 0.18 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1non h ALA 50 CO -0.00 -0.06 -0.04 1.49 0.00 0.00 0.00 179.25 180.64 1non h GLU 51 N 0.63 0.89 -0.12 0.00 4.81 -1.03 -1.26 114.58 118.50 1non h GLU 51 Ca 0.42 -0.30 -0.01 0.00 -0.13 0.00 0.00 59.36 59.34 1non h GLU 51 Cb 0.54 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.85 1non h GLU 51 CO -0.33 0.94 0.04 0.00 -0.73 0.00 0.00 179.01 178.93 1non h ARG 52 N 0.74 0.18 -0.54 1.92 2.47 -0.35 -2.29 114.38 116.51 1non h ARG 52 Ca 0.13 -0.04 0.02 0.00 -1.26 0.00 0.00 59.98 58.83 1non h ARG 52 Cb 0.57 -0.03 -0.03 0.00 -1.65 0.00 0.00 29.97 28.83 1non h ARG 52 CO 0.03 0.33 0.33 0.82 0.56 0.00 0.00 179.97 182.04 1non h ILE 53 N -0.00 1.07 -0.57 2.04 2.04 -0.99 -1.89 117.51 119.21 1non h ILE 53 Ca 0.04 -0.22 0.07 0.00 1.00 0.00 0.00 64.86 65.74 1non h ILE 53 Cb 0.22 0.36 -0.06 0.00 -0.74 0.00 0.00 36.82 36.60 1non h ILE 53 CO -0.00 0.12 0.26 -0.08 0.00 0.00 0.00 178.15 178.44 1non h GLU 54 N 0.65 0.46 0.00 2.37 4.81 -1.07 0.90 114.58 122.71 1non h GLU 54 Ca 0.21 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.35 1non h GLU 54 Cb 0.01 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 1non h GLU 54 CO -0.09 0.31 -0.31 1.96 -0.73 0.00 0.00 179.01 180.14 1non h GLN 55 N 0.48 0.00 0.02 1.92 7.50 -1.04 0.10 115.11 124.10 1non h GLN 55 Ca 0.27 0.00 -0.06 0.00 0.50 0.00 0.00 58.65 59.36 1non h GLN 55 Cb 0.25 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 27.78 1non h GLN 55 CO -0.23 0.31 -0.31 0.82 -1.50 0.00 0.00 178.83 177.92 1non h ILE 56 N 0.00 1.63 0.00 2.54 2.04 -0.47 -3.39 117.51 119.86 1non h ILE 56 Ca -0.00 -2.36 -0.15 0.00 1.00 0.00 0.00 64.86 63.34 1non h ILE 56 Cb 0.74 3.21 -0.03 0.00 -0.74 0.00 0.00 36.82 40.00 1non h ILE 56 CO 0.04 0.59 -1.17 -0.33 0.00 0.00 0.00 178.15 177.29 1non h GLU 57 N -0.89 0.00 0.00 2.37 4.39 -0.92 -3.48 114.58 116.06 1non h GLU 57 Ca -0.07 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.63 1non h GLU 57 Cb 1.15 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.80 1non h GLU 57 CO -0.00 0.37 0.00 0.41 -1.16 0.00 0.00 179.01 178.63 1non n GLY 58 N 1.35 0.66 3.15 -3.84 0.00 0.36 -5.02 105.19 101.84 1non n GLY 58 Ca -0.06 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.70 1non n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1non s ALA 59 N -2.31 1.48 0.65 4.61 0.00 -1.24 -5.04 121.76 119.91 1non s ALA 59 Ca 0.00 -0.71 -0.12 0.00 0.00 0.00 0.00 51.96 51.13 1non s ALA 59 Cb 0.00 -0.44 -0.02 0.00 0.00 0.00 0.00 23.12 22.67 1non s ALA 59 CO 0.00 0.31 1.05 0.45 0.00 0.00 0.00 175.76 177.57 1non s SER 60 N -0.17 5.77 -0.07 0.00 0.15 -1.26 -4.03 113.70 114.08 1non s SER 60 Ca 0.01 1.56 0.01 0.00 0.70 0.00 0.00 55.95 58.23 1non s SER 60 Cb -0.09 -2.49 0.02 0.00 -1.71 0.00 0.00 66.02 61.75 1non s SER 60 CO 0.01 -1.18 -0.07 -0.69 1.20 0.00 0.00 173.24 172.51 1non s VAL 61 N -3.02 0.80 0.39 4.45 1.01 -1.26 -5.01 120.40 117.76 1non s VAL 61 Ca 0.57 -0.23 -0.27 0.00 0.00 0.00 0.00 61.98 62.06 1non s VAL 61 Cb -0.13 -0.81 -0.11 0.00 0.00 0.00 0.00 36.38 35.34 1non s VAL 61 CO 0.52 0.30 1.30 -2.65 0.00 0.00 0.00 175.10 174.57 1non n PRO 62 N 4.32 2.09 -4.51 2.72 -0.02 -1.26 -4.85 135.00 133.49 1non n PRO 62 Ca -0.19 0.74 -0.26 0.00 -2.02 0.00 0.00 63.50 61.76 1non n PRO 62 Cb 0.51 -2.40 -0.17 0.00 -0.02 0.00 0.00 33.50 31.42 1non n PRO 62 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1non s VAL 63 N -1.15 1.27 0.39 -1.45 1.01 -1.26 -1.27 120.40 117.94 1non s VAL 63 Ca 0.58 -0.53 0.08 0.00 0.00 0.00 0.00 61.98 62.10 1non s VAL 63 Cb -0.53 -1.17 -0.07 0.00 0.00 0.00 0.00 36.38 34.61 1non s VAL 63 CO 0.60 0.39 -0.01 -0.83 0.00 0.00 0.00 175.10 175.26 1non s GLY 64 N 0.85 2.41 -0.11 4.51 0.00 0.06 -4.95 107.32 110.09 1non s GLY 64 Ca -0.11 -2.24 -0.00 0.00 0.00 0.00 0.00 44.72 42.37 1non s GLY 64 CO 0.01 -2.07 -0.08 -0.54 0.00 0.00 0.00 173.10 170.42 1non s GLU 65 N -3.70 1.57 -0.13 2.90 2.02 -1.26 -1.66 118.70 118.44 1non s GLU 65 Ca 0.35 -0.27 0.01 0.00 0.02 0.00 0.00 54.97 55.07 1non s GLU 65 Cb 0.08 -1.60 -0.01 0.00 0.10 0.00 0.00 34.13 32.69 1non s GLU 65 CO 0.18 -0.25 -0.15 -1.17 0.02 0.00 0.00 175.26 173.88 1non s LEU 66 N 1.66 2.56 -0.30 1.80 2.96 -0.36 -4.51 118.68 122.49 1non s LEU 66 Ca 0.04 -0.40 -0.08 0.00 -0.22 0.00 0.00 54.13 53.47 1non s LEU 66 Cb -0.13 -1.57 -0.00 0.00 0.50 0.00 0.00 46.19 44.99 1non s LEU 66 CO -0.08 0.15 0.12 -0.62 -1.32 0.00 0.00 176.35 174.59 1non s ASP 67 N 0.46 5.35 0.00 3.68 -1.08 -1.26 -2.67 116.67 121.16 1non s ASP 67 Ca -0.11 -0.55 0.21 0.00 -0.52 0.00 0.00 52.55 51.58 1non s ASP 67 Cb -0.16 -1.95 0.53 0.00 -1.46 0.00 0.00 42.92 39.88 1non s ASP 67 CO 0.05 -0.18 1.45 2.30 0.52 0.00 0.00 175.17 179.32 1non n ILE 68 N 4.94 0.62 -0.21 4.11 -5.35 -1.26 -4.57 119.36 117.64 1non n ILE 68 Ca -0.14 -0.74 0.01 0.00 -0.27 0.00 0.00 62.75 61.60 1non n ILE 68 Cb 0.49 0.63 0.09 0.00 -1.74 0.00 0.00 39.64 39.11 1non n ILE 68 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1non h THR 69 N 3.80 0.44 0.00 7.28 2.02 -1.97 0.03 112.91 124.51 1non h THR 69 Ca 0.00 -0.02 -0.01 0.00 0.77 0.00 0.00 66.41 67.15 1non h THR 69 Cb 0.85 0.37 -0.00 0.00 -1.74 0.00 0.00 68.15 67.63 1non h THR 69 CO 0.00 0.01 -0.05 -0.07 0.37 0.00 0.00 175.52 175.78 1non h LEU 70 N 0.07 0.00 0.00 2.58 3.38 -2.00 -3.03 115.31 116.30 1non h LEU 70 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.29 1non h LEU 70 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1non h LEU 70 CO -0.58 0.05 -0.81 -1.22 0.09 0.00 0.00 178.44 175.98 1non n TYR 71 N -3.54 0.20 0.00 1.13 4.01 -0.03 -5.18 117.16 113.75 1non n TYR 71 Ca -0.02 0.06 0.00 0.00 -0.16 0.00 0.00 57.90 57.78 1non n TYR 71 Cb 0.17 -0.36 0.00 0.00 -0.31 0.00 0.00 39.34 38.83 1non n TYR 71 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1non n ARG 72 N -1.79 0.00 -0.82 -0.72 1.74 -1.06 -4.71 116.66 109.30 1non n ARG 72 Ca 0.03 0.44 0.00 0.00 -0.77 0.00 0.00 57.85 57.55 1non n ARG 72 Cb 0.39 -1.51 0.00 0.00 -1.02 0.00 0.00 32.46 30.33 1non n ARG 72 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1non n VAL 91 N -1.44 -1.64 -2.28 1.55 0.31 -1.26 -5.04 118.33 108.54 1non n VAL 91 Ca 0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 64.34 63.98 1non n VAL 91 Cb 0.01 -2.05 -0.04 0.00 -0.91 0.00 0.00 33.84 30.85 1non n VAL 91 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 1non s PRO 92 N -0.94 2.98 0.15 5.55 0.02 -1.26 -4.72 135.00 136.77 1non s PRO 92 Ca 0.00 -0.36 0.07 0.00 0.02 0.00 0.00 61.00 60.74 1non s PRO 92 Cb 0.00 -4.88 -0.04 0.00 0.02 0.00 0.00 34.50 29.60 1non s PRO 92 CO 0.00 -2.71 -0.16 -0.59 -0.33 0.00 0.00 177.00 173.21 1non s PHE 93 N 7.69 1.61 0.40 6.54 -0.12 -1.26 -5.07 117.98 127.77 1non s PHE 93 Ca 0.57 -0.53 -0.27 0.00 -0.05 0.00 0.00 56.93 56.65 1non s PHE 93 Cb -0.06 -0.81 -0.10 0.00 -0.63 0.00 0.00 43.02 41.42 1non s PHE 93 CO 0.03 0.24 1.46 -2.14 -0.05 0.00 0.00 175.22 174.76 1non s PRO 94 N -2.83 3.95 0.08 1.99 0.02 -1.26 -4.92 135.00 132.03 1non s PRO 94 Ca 0.13 2.51 0.00 0.00 0.02 0.00 0.00 61.00 63.66 1non s PRO 94 Cb -0.05 -2.85 0.00 0.00 0.02 0.00 0.00 34.50 31.62 1non s PRO 94 CO 0.05 -0.64 0.00 0.28 -0.33 0.00 0.00 177.00 176.36 1non n VAL 95 N 0.21 0.00 -1.59 3.83 0.31 -1.26 -4.95 118.33 114.87 1non n VAL 95 Ca 0.03 0.00 -0.48 0.00 -0.01 0.00 0.00 64.34 63.87 1non n VAL 95 Cb 0.40 -0.14 -0.04 0.00 -0.91 0.00 0.00 33.84 33.16 1non n VAL 95 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1non n THR 96 N -2.78 0.90 -0.38 2.52 -1.04 -1.26 -0.67 114.28 111.58 1non n THR 96 Ca 0.00 -0.22 0.00 0.00 -2.04 0.00 0.00 64.05 61.79 1non n THR 96 Cb 0.00 -0.96 0.00 0.00 -1.82 0.00 0.00 70.33 67.55 1non n THR 96 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1non n GLU 97 N 1.81 0.00 -2.92 -2.82 4.07 -0.27 -4.87 120.64 115.64 1non n GLU 97 Ca 0.14 0.00 -0.23 0.00 -0.06 0.00 0.00 57.16 57.01 1non n GLU 97 Cb 0.26 -3.37 0.01 0.00 -0.06 0.00 0.00 31.44 28.28 1non n GLU 97 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 1non s ARG 98 N -0.32 3.06 -0.54 5.31 1.81 0.16 -4.27 118.95 124.15 1non s ARG 98 Ca 0.00 -0.44 -0.17 0.00 -1.72 0.00 0.00 55.73 53.41 1non s ARG 98 Cb 0.00 -2.53 0.12 0.00 -0.45 0.00 0.00 34.95 32.09 1non s ARG 98 CO 0.00 -0.31 0.53 1.21 -0.68 0.00 0.00 175.30 176.05 1non s ASN 99 N -4.22 6.18 -0.44 0.23 2.47 -0.10 -0.55 114.94 118.51 1non s ASN 99 Ca 0.49 -1.66 -0.26 0.00 0.42 0.00 0.00 52.86 51.85 1non s ASN 99 Cb -0.10 -2.23 0.02 0.00 -1.45 0.00 0.00 41.25 37.50 1non s ASN 99 CO 0.39 -0.88 0.96 -0.69 -3.72 0.00 0.00 177.10 173.15 1non s VAL 100 N 1.82 4.46 -0.52 -5.21 1.01 0.04 -1.47 120.40 120.53 1non s VAL 100 Ca 0.05 0.92 -0.17 0.00 0.00 0.00 0.00 61.98 62.78 1non s VAL 100 Cb -0.28 -4.44 0.09 0.00 0.00 0.00 0.00 36.38 31.75 1non s VAL 100 CO 0.04 -0.79 0.52 -0.63 0.00 0.00 0.00 175.10 174.24 1non s ILE 101 N 3.80 5.09 0.44 2.22 1.01 0.53 -0.29 121.20 134.01 1non s ILE 101 Ca 0.39 -1.06 -0.24 0.00 0.00 0.00 0.00 60.65 59.74 1non s ILE 101 Cb -0.10 -4.28 -0.08 0.00 0.01 0.00 0.00 42.46 38.01 1non s ILE 101 CO 0.25 -0.80 1.18 -0.76 0.00 0.00 0.00 174.94 174.81 1non s LEU 102 N 2.00 4.06 -0.10 2.97 1.43 -0.05 -1.30 118.68 127.69 1non s LEU 102 Ca 0.07 2.34 -0.01 0.00 -1.03 0.00 0.00 54.13 55.51 1non s LEU 102 Cb -0.25 -4.17 0.03 0.00 0.03 0.00 0.00 46.19 41.82 1non s LEU 102 CO 0.07 -0.87 -0.05 -0.69 0.23 0.00 0.00 176.35 175.03 1non s VAL 103 N -1.50 0.83 0.23 -1.59 1.01 -0.20 -0.73 120.40 118.45 1non s VAL 103 Ca 0.62 -0.17 0.02 0.00 0.00 0.00 0.00 61.98 62.45 1non s VAL 103 Cb -0.30 -0.88 -0.05 0.00 0.00 0.00 0.00 36.38 35.15 1non s VAL 103 CO 0.37 0.33 0.04 -0.62 0.00 0.00 0.00 175.10 175.22 1non s ASP 104 N 1.71 1.43 -0.08 3.32 3.68 -0.58 -0.78 116.67 125.38 1non s ASP 104 Ca 0.04 -1.28 -0.13 0.00 2.13 0.00 0.00 52.55 53.30 1non s ASP 104 Cb -0.13 0.10 -0.29 0.00 -1.45 0.00 0.00 42.92 41.15 1non s ASP 104 CO -0.07 -0.62 0.61 -2.24 0.13 0.00 0.00 175.17 172.98 1non h ASP 105 N 2.48 0.51 -3.80 -0.34 2.03 -1.87 -3.01 116.42 112.41 1non h ASP 105 Ca -0.38 -0.90 -0.41 0.00 -0.73 0.00 0.00 57.03 54.60 1non h ASP 105 Cb 1.23 -0.16 -0.31 0.00 -0.83 0.00 0.00 39.33 39.26 1non h ASP 105 CO 0.63 1.72 -0.78 -0.69 -1.03 0.00 0.00 179.24 179.08 1non s VAL 106 N -2.53 0.71 -0.26 4.15 1.01 -1.26 -1.41 120.40 120.82 1non s VAL 106 Ca -0.18 -0.32 -0.09 0.00 0.00 0.00 0.00 61.98 61.39 1non s VAL 106 Cb 0.05 -0.64 -0.04 0.00 0.00 0.00 0.00 36.38 35.75 1non s VAL 106 CO 0.81 0.23 0.11 -0.22 0.00 0.00 0.00 175.10 176.03 1non s LEU 107 N 0.21 3.68 0.00 3.92 2.96 0.43 -4.99 118.68 124.90 1non s LEU 107 Ca -0.03 -0.11 0.00 0.00 -0.22 0.00 0.00 54.13 53.77 1non s LEU 107 Cb -0.08 -2.00 0.00 0.00 0.50 0.00 0.00 46.19 44.61 1non s LEU 107 CO 0.00 -0.02 0.00 0.33 -1.32 0.00 0.00 176.35 175.34 1non n PHE 108 N 4.87 0.00 0.23 5.38 -0.00 -1.26 -1.96 117.46 124.72 1non n PHE 108 Ca -0.15 0.00 0.12 0.00 -0.00 0.00 0.00 57.45 57.41 1non n PHE 108 Cb 0.52 0.00 0.45 0.00 -0.00 0.00 0.00 39.48 40.45 1non n PHE 108 CO 0.00 0.00 0.00 1.79 -0.00 0.00 0.00 176.76 178.55 1non h THR 109 N 0.00 0.34 0.00 -2.13 1.35 -1.78 -3.24 112.91 107.45 1non h THR 109 Ca 0.00 -1.01 0.00 0.00 -0.55 0.00 0.00 66.41 64.85 1non h THR 109 Cb 0.00 1.77 0.00 0.00 -1.73 0.00 0.00 68.15 68.19 1non h THR 109 CO 0.00 0.15 0.00 0.61 -0.25 0.00 0.00 175.52 176.03 1non n GLY 110 N 0.33 0.92 0.24 5.82 0.00 -1.26 -0.64 105.19 110.60 1non n GLY 110 Ca 0.01 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.14 1non n GLY 110 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1non h ARG 111 N 3.78 0.00 -0.29 1.61 3.08 -1.96 -1.66 114.38 118.94 1non h ARG 111 Ca 0.00 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.93 1non h ARG 111 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1non h ARG 111 CO 0.00 0.18 -0.32 1.79 -1.07 0.00 0.00 179.97 180.55 1non h THR 112 N 0.00 1.28 -0.46 2.04 1.35 -1.98 -1.87 112.91 113.28 1non h THR 112 Ca -0.00 -1.44 -0.14 0.00 -0.55 0.00 0.00 66.41 64.28 1non h THR 112 Cb 0.51 1.41 -0.01 0.00 -1.73 0.00 0.00 68.15 68.33 1non h THR 112 CO 0.02 0.46 -0.27 0.58 -0.25 0.00 0.00 175.52 176.07 1non h VAL 113 N 0.52 1.27 -0.50 6.82 2.07 -1.73 0.45 116.25 125.15 1non h VAL 113 Ca 0.06 -1.44 -0.04 0.00 0.82 0.00 0.00 66.70 66.10 1non h VAL 113 Cb 0.80 1.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.75 1non h VAL 113 CO 0.07 0.49 0.16 -0.09 0.02 0.00 0.00 177.57 178.22 1non h ARG 114 N 0.84 0.77 -0.48 1.57 2.43 -1.30 0.23 114.38 118.45 1non h ARG 114 Ca 0.10 -0.17 -0.07 0.00 -0.81 0.00 0.00 59.98 59.03 1non h ARG 114 Cb 0.85 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.27 1non h ARG 114 CO 0.08 0.72 -0.00 0.00 -1.51 0.00 0.00 179.97 179.25 1non h ALA 115 N 1.01 1.10 -0.43 2.80 0.00 -1.19 -1.61 119.26 120.94 1non h ALA 115 Ca 0.16 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.69 1non h ALA 115 Cb 0.27 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1non h ALA 115 CO -0.01 0.57 -0.20 0.00 0.00 0.00 0.00 179.25 179.62 1non h ALA 116 N 1.26 0.83 -0.17 0.00 0.00 -0.31 -0.79 119.26 120.08 1non h ALA 116 Ca 0.14 -0.37 -0.10 0.00 0.00 0.00 0.00 54.91 54.58 1non h ALA 116 Cb 0.45 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1non h ALA 116 CO 0.02 0.64 -0.34 0.52 0.00 0.00 0.00 179.25 180.09 1non h MET 117 N 0.75 0.35 -0.19 0.00 2.07 -0.25 -0.93 114.93 116.73 1non h MET 117 Ca 0.11 -0.15 -0.07 0.00 -2.07 0.00 0.00 59.70 57.52 1non h MET 117 Cb 0.73 -0.01 -0.00 0.00 -1.87 0.00 0.00 31.60 30.44 1non h MET 117 CO 0.06 0.65 -0.14 -0.44 1.07 0.00 0.00 176.91 178.11 1non h ASP 118 N 0.30 0.44 -0.94 1.22 3.32 -1.02 -2.23 116.42 117.52 1non h ASP 118 Ca 0.04 -0.45 0.01 0.00 0.02 0.00 0.00 57.03 56.65 1non h ASP 118 Cb 0.75 -0.12 -0.05 0.00 0.22 0.00 0.00 39.33 40.13 1non h ASP 118 CO 0.06 0.80 0.62 0.00 -1.72 0.00 0.00 179.24 179.00 1non h ALA 119 N 0.66 1.35 -0.18 3.45 0.00 -0.91 -2.14 119.26 121.49 1non h ALA 119 Ca 0.04 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 1non h ALA 119 Cb 0.65 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1non h ALA 119 CO 0.04 0.60 -0.39 0.28 0.00 0.00 0.00 179.25 179.77 1non h VAL 120 N 1.25 1.30 0.00 0.00 2.07 -1.10 -2.63 116.25 117.14 1non h VAL 120 Ca 0.35 -1.53 0.00 0.00 0.82 0.00 0.00 66.70 66.34 1non h VAL 120 Cb -0.12 1.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 1non h VAL 120 CO -0.08 0.47 0.00 0.23 0.02 0.00 0.00 177.57 178.21 1non n MET 121 N -4.03 0.03 0.00 1.57 2.00 -0.84 -1.88 117.12 113.97 1non n MET 121 Ca -0.01 0.14 0.13 0.00 0.00 0.00 0.00 57.70 57.95 1non n MET 121 Cb 0.49 -1.50 0.32 0.00 0.00 0.00 0.00 33.22 32.53 1non n MET 121 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 1non n ASP 122 N -1.48 1.34 -0.06 7.83 8.00 -0.98 -4.16 116.55 127.04 1non n ASP 122 Ca 0.06 -1.13 -0.06 0.00 0.71 0.00 0.00 54.79 54.37 1non n ASP 122 Cb 0.24 0.17 -0.08 0.00 -0.02 0.00 0.00 41.12 41.43 1non n ASP 122 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1non n LEU 123 N -0.35 0.63 0.00 0.64 4.77 -0.79 -5.11 117.00 116.79 1non n LEU 123 Ca 0.13 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 1non n LEU 123 Cb 0.38 0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 1non n LEU 123 CO 0.25 0.37 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 1non n GLY 124 N 2.42 0.83 2.96 -0.72 0.00 -0.97 -4.83 105.19 104.89 1non n GLY 124 Ca -0.20 -0.80 -0.30 0.00 0.00 0.00 0.00 46.02 44.72 1non n GLY 124 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1non s ARG 125 N -1.41 1.88 0.64 1.61 1.81 -1.26 -4.36 118.95 117.86 1non s ARG 125 Ca 0.00 -2.49 -0.16 0.00 -1.72 0.00 0.00 55.73 51.36 1non s ARG 125 Cb 0.00 -3.28 -0.01 0.00 -0.45 0.00 0.00 34.95 31.20 1non s ARG 125 CO 0.00 -1.08 1.10 -2.14 -0.68 0.00 0.00 175.30 172.50 1non s PRO 126 N -0.09 2.93 0.29 3.54 0.02 -1.26 -1.11 135.00 139.33 1non s PRO 126 Ca 0.16 1.39 0.06 0.00 0.02 0.00 0.00 61.00 62.62 1non s PRO 126 Cb -0.25 -1.97 0.45 0.00 0.02 0.00 0.00 34.50 32.75 1non s PRO 126 CO -0.01 -1.14 1.70 0.00 -0.33 0.00 0.00 177.00 177.22 1non h ALA 127 N 0.21 1.10 -1.59 -1.55 0.00 -1.00 -3.43 119.26 113.00 1non h ALA 127 Ca -0.47 -0.40 0.19 0.00 0.00 0.00 0.00 54.91 54.23 1non h ALA 127 Cb 1.24 -0.09 -0.20 0.00 0.00 0.00 0.00 17.79 18.74 1non h ALA 127 CO 0.55 0.58 0.71 -0.98 0.00 0.00 0.00 179.25 180.11 1non s ARG 128 N -4.21 0.43 -0.07 0.00 1.70 -1.17 -5.02 118.95 110.61 1non s ARG 128 Ca -0.05 -0.08 0.05 0.00 -0.47 0.00 0.00 55.73 55.19 1non s ARG 128 Cb 0.13 0.20 -0.01 0.00 -0.57 0.00 0.00 34.95 34.71 1non s ARG 128 CO 0.78 -0.17 -0.24 0.42 -1.08 0.00 0.00 175.30 175.00 1non s ILE 129 N -2.09 2.01 0.43 4.99 1.01 -1.26 -0.78 121.20 125.51 1non s ILE 129 Ca 0.06 -1.03 0.06 0.00 0.00 0.00 0.00 60.65 59.74 1non s ILE 129 Cb -0.01 -1.71 -0.06 0.00 0.01 0.00 0.00 42.46 40.69 1non s ILE 129 CO -0.05 0.56 0.06 -1.10 0.00 0.00 0.00 174.94 174.41 1non s GLN 130 N -0.02 2.07 -0.06 2.79 -0.21 0.61 -4.96 119.66 119.88 1non s GLN 130 Ca -0.08 -2.08 -0.00 0.00 0.02 0.00 0.00 55.36 53.23 1non s GLN 130 Cb -0.15 -1.73 0.03 0.00 1.00 0.00 0.00 33.01 32.16 1non s GLN 130 CO 0.05 -0.12 -0.02 -1.17 -2.12 0.00 0.00 175.29 171.91 1non s LEU 131 N -3.80 0.97 -0.10 2.90 2.96 -1.26 -0.87 118.68 119.48 1non s LEU 131 Ca 0.33 -0.10 0.03 0.00 -0.22 0.00 0.00 54.13 54.17 1non s LEU 131 Cb 0.07 -0.43 0.01 0.00 0.50 0.00 0.00 46.19 46.33 1non s LEU 131 CO 0.17 -0.12 -0.20 0.00 -1.32 0.00 0.00 176.35 174.88 1non s ALA 132 N 1.43 1.89 0.08 5.97 0.00 0.09 0.15 121.76 131.36 1non s ALA 132 Ca -0.03 -0.82 0.03 0.00 0.00 0.00 0.00 51.96 51.14 1non s ALA 132 Cb -0.13 -0.78 -0.03 0.00 0.00 0.00 0.00 23.12 22.17 1non s ALA 132 CO -0.03 0.15 -0.09 0.14 0.00 0.00 0.00 175.76 175.93 1non s VAL 133 N 0.59 0.77 0.04 0.00 -7.23 -0.47 -1.53 120.40 112.56 1non s VAL 133 Ca -0.14 -1.49 -0.19 0.00 -1.81 0.00 0.00 61.98 58.35 1non s VAL 133 Cb -0.17 -1.16 -0.17 0.00 0.56 0.00 0.00 36.38 35.45 1non s VAL 133 CO 0.05 -0.54 1.26 0.25 -0.31 0.00 0.00 175.10 175.80 1non h LEU 134 N 3.80 0.53 -7.94 1.32 5.85 -1.31 -0.15 115.31 117.41 1non h LEU 134 Ca -0.37 -0.60 -0.28 0.00 0.84 0.00 0.00 57.88 57.48 1non h LEU 134 Cb 1.19 -0.15 -0.26 0.00 0.37 0.00 0.00 40.66 41.81 1non h LEU 134 CO 0.50 1.03 -0.74 0.54 -0.34 0.00 0.00 178.44 179.44 1non s VAL 135 N -3.85 0.33 -0.25 1.05 0.11 -0.50 -0.37 120.40 116.91 1non s VAL 135 Ca -0.13 -0.46 0.01 0.00 -2.93 0.00 0.00 61.98 58.46 1non s VAL 135 Cb 0.05 -0.33 0.05 0.00 -1.53 0.00 0.00 36.38 34.62 1non s VAL 135 CO 0.80 -0.10 -0.10 -0.62 -3.33 0.00 0.00 175.10 171.76 1non s ASP 136 N -0.60 4.33 -0.14 3.54 -1.08 -0.74 -0.43 116.67 121.55 1non s ASP 136 Ca -0.03 -1.20 0.15 0.00 -0.52 0.00 0.00 52.55 50.96 1non s ASP 136 Cb -0.04 -1.59 0.70 0.00 -1.46 0.00 0.00 42.92 40.53 1non s ASP 136 CO -0.00 -0.17 1.59 -2.11 0.52 0.00 0.00 175.17 175.01 1non n ARG 137 N 4.53 3.90 0.00 4.34 1.85 -0.83 -1.52 116.66 128.92 1non n ARG 137 Ca -0.15 -2.73 0.00 0.00 -1.00 0.00 0.00 57.85 53.97 1non n ARG 137 Cb 0.44 -1.98 0.00 0.00 -1.05 0.00 0.00 32.46 29.87 1non n ARG 137 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1non n GLY 138 N 0.91 -1.10 2.24 2.89 0.00 -1.26 -4.06 105.19 104.81 1non n GLY 138 Ca 0.24 -1.18 -0.11 0.00 0.00 0.00 0.00 46.02 44.97 1non n GLY 138 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1non n HIS 139 N -0.49 -0.38 -1.61 1.61 -0.00 -1.26 -4.47 115.22 108.62 1non n HIS 139 Ca 0.00 0.00 -0.45 0.00 -0.00 0.00 0.00 57.72 57.27 1non n HIS 139 Cb 0.00 -2.44 -0.02 0.00 -0.00 0.00 0.00 29.99 27.54 1non n HIS 139 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.34 174.21 1non n ARG 140 N -2.22 1.47 -0.01 -0.41 3.00 -1.22 -4.26 116.66 113.01 1non n ARG 140 Ca -0.13 0.52 0.01 0.00 -0.00 0.00 0.00 57.85 58.25 1non n ARG 140 Cb 0.54 -1.95 0.02 0.00 0.00 0.00 0.00 32.46 31.06 1non n ARG 140 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1non n GLU 141 N 0.93 1.40 -3.98 -0.14 1.02 0.19 -4.97 120.64 115.09 1non n GLU 141 Ca 0.10 -1.16 -0.08 0.00 -0.02 0.00 0.00 57.16 55.99 1non n GLU 141 Cb 0.31 -1.03 -0.08 0.00 -0.02 0.00 0.00 31.44 30.62 1non n GLU 141 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1non s LEU 142 N -0.63 1.83 -0.70 -4.62 1.43 -1.18 -5.04 118.68 109.77 1non s LEU 142 Ca 0.03 -0.84 -0.06 0.00 -1.03 0.00 0.00 54.13 52.22 1non s LEU 142 Cb 0.02 0.67 -0.13 0.00 0.03 0.00 0.00 46.19 46.78 1non s LEU 142 CO 0.02 -0.69 2.63 -2.65 0.23 0.00 0.00 176.35 175.89 1non n PRO 143 N -0.01 2.23 -5.18 1.29 -0.02 -1.26 -4.84 135.00 127.20 1non n PRO 143 Ca -0.13 -1.33 -0.30 0.00 -2.02 0.00 0.00 63.50 59.71 1non n PRO 143 Cb 0.62 -2.29 -0.16 0.00 -0.02 0.00 0.00 33.50 31.65 1non n PRO 143 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1non s ILE 144 N 2.29 1.93 0.02 4.25 1.01 -1.26 -5.12 121.20 124.32 1non s ILE 144 Ca 0.51 -1.00 0.01 0.00 0.00 0.00 0.00 60.65 60.17 1non s ILE 144 Cb 0.18 -1.64 -0.02 0.00 0.01 0.00 0.00 42.46 41.00 1non s ILE 144 CO -0.03 0.54 -0.03 -0.13 0.00 0.00 0.00 174.94 175.29 1non s ARG 145 N -0.14 0.29 0.45 2.79 1.81 -1.26 -4.96 118.95 117.93 1non s ARG 145 Ca -0.03 -0.47 -0.20 0.00 -1.72 0.00 0.00 55.73 53.30 1non s ARG 145 Cb -0.13 -0.03 -0.10 0.00 -0.45 0.00 0.00 34.95 34.24 1non s ARG 145 CO 0.03 -0.01 0.96 0.00 -0.68 0.00 0.00 175.30 175.60 1non s ALA 146 N -1.03 3.04 -0.10 2.13 0.00 -1.26 -4.82 121.76 119.71 1non s ALA 146 Ca -0.10 0.37 0.15 0.00 0.00 0.00 0.00 51.96 52.38 1non s ALA 146 Cb -0.07 -3.15 -0.12 0.00 0.00 0.00 0.00 23.12 19.78 1non s ALA 146 CO -0.00 0.05 0.92 -0.44 0.00 0.00 0.00 175.76 176.29 1non h ASP 147 N 1.71 0.00 -3.50 0.00 3.32 -0.68 -3.46 116.42 113.82 1non h ASP 147 Ca -0.49 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 56.20 1non h ASP 147 Cb 1.18 0.00 -0.34 0.00 0.22 0.00 0.00 39.33 40.39 1non h ASP 147 CO 0.61 0.64 -0.76 -0.36 -1.72 0.00 0.00 179.24 177.66 1non s PHE 148 N -2.88 0.45 -0.05 4.55 0.40 -0.42 -5.01 117.98 115.03 1non s PHE 148 Ca -0.02 -0.07 0.02 0.00 -0.60 0.00 0.00 56.93 56.27 1non s PHE 148 Cb 0.08 -0.48 0.01 0.00 0.51 0.00 0.00 43.02 43.14 1non s PHE 148 CO 0.80 -0.14 -0.11 0.08 0.70 0.00 0.00 175.22 176.55 1non s VAL 149 N 0.93 1.00 -0.02 -0.44 1.01 -1.26 -1.37 120.40 120.25 1non s VAL 149 Ca -0.10 -0.43 -0.24 0.00 0.00 0.00 0.00 61.98 61.21 1non s VAL 149 Cb -0.14 -0.90 -0.17 0.00 0.00 0.00 0.00 36.38 35.17 1non s VAL 149 CO -0.01 0.31 1.10 1.23 0.00 0.00 0.00 175.10 177.74 1non h GLY 150 N 6.71 -0.26 -4.98 4.51 0.00 0.06 -3.47 103.07 105.65 1non h GLY 150 Ca -0.33 0.09 -0.07 0.00 0.00 0.00 0.00 47.33 47.02 1non h GLY 150 CO 0.48 -0.09 -0.00 1.25 0.00 0.00 0.00 176.54 178.17 1non s LYS 151 N -4.10 0.73 -0.31 4.80 2.20 0.50 -4.91 119.74 118.64 1non s LYS 151 Ca -0.14 0.75 -0.21 0.00 -0.36 0.00 0.00 55.97 56.01 1non s LYS 151 Cb 0.01 0.35 -0.01 0.00 -1.51 0.00 0.00 37.83 36.68 1non s LYS 151 CO 0.55 -0.11 0.64 -0.80 -0.36 0.00 0.00 175.35 175.27 1non s ASN 152 N 0.13 6.50 -0.50 1.43 0.02 -1.26 -1.79 114.94 119.47 1non s ASN 152 Ca -0.01 0.41 -0.03 0.00 -1.02 0.00 0.00 52.86 52.20 1non s ASN 152 Cb -0.04 -2.34 0.13 0.00 0.02 0.00 0.00 41.25 39.03 1non s ASN 152 CO 0.02 -0.51 0.30 -0.69 0.02 0.00 0.00 177.10 176.24 1non s VAL 153 N 2.65 3.47 0.33 1.60 1.01 -0.58 -4.95 120.40 123.93 1non s VAL 153 Ca 0.26 -2.44 -0.29 0.00 0.00 0.00 0.00 61.98 59.51 1non s VAL 153 Cb -0.15 -3.33 -0.12 0.00 0.00 0.00 0.00 36.38 32.79 1non s VAL 153 CO 0.12 -0.77 1.52 -0.81 0.00 0.00 0.00 175.10 175.16 1non n PRO 154 N 4.13 2.60 -4.09 2.72 -0.04 -1.26 -4.27 135.00 134.79 1non n PRO 154 Ca 0.02 0.92 -0.10 0.00 -0.04 0.00 0.00 63.50 64.30 1non n PRO 154 Cb 0.40 -2.66 -0.09 0.00 -0.04 0.00 0.00 33.50 31.11 1non n PRO 154 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1non s THR 155 N -0.55 0.09 0.52 0.52 -4.23 -1.26 -5.09 115.64 105.64 1non s THR 155 Ca 0.59 -1.76 -0.01 0.00 -1.18 0.00 0.00 61.69 59.34 1non s THR 155 Cb -0.50 -1.99 0.01 0.00 1.34 0.00 0.00 72.50 71.36 1non s THR 155 CO 0.56 -0.41 0.76 -0.94 -0.54 0.00 0.00 174.62 174.05 1non s SER 156 N -3.03 5.58 0.34 3.99 1.04 -1.26 -4.99 113.70 115.37 1non s SER 156 Ca 0.22 0.29 0.09 0.00 0.48 0.00 0.00 55.95 57.03 1non s SER 156 Cb 0.06 -1.36 0.61 0.00 0.10 0.00 0.00 66.02 65.43 1non s SER 156 CO 0.01 -0.94 1.79 -0.09 0.98 0.00 0.00 173.24 175.00 1non h ARG 157 N 0.15 0.19 -0.00 4.02 9.65 -2.01 -2.87 114.38 123.50 1non h ARG 157 Ca -0.45 -0.07 0.00 0.00 -1.10 0.00 0.00 59.98 58.36 1non h ARG 157 Cb 1.27 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.84 1non h ARG 157 CO 0.57 0.49 -0.08 -1.13 2.80 0.00 0.00 179.97 182.62 1non n SER 158 N -4.11 0.17 -4.88 -3.80 3.41 -1.26 -4.87 113.62 98.28 1non n SER 158 Ca -0.01 -0.06 -0.30 0.00 -0.26 0.00 0.00 58.87 58.24 1non n SER 158 Cb 0.40 -0.24 0.01 0.00 -0.26 0.00 0.00 64.21 64.12 1non n SER 158 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1non s GLU 159 N -2.73 3.59 -0.03 4.33 2.02 -1.09 -4.85 118.70 119.95 1non s GLU 159 Ca 0.22 0.59 0.07 0.00 0.02 0.00 0.00 54.97 55.87 1non s GLU 159 Cb 0.20 -2.17 -0.02 0.00 0.10 0.00 0.00 34.13 32.24 1non s GLU 159 CO 0.51 -0.45 -0.24 -1.17 0.02 0.00 0.00 175.26 173.93 1non s LEU 160 N -5.02 2.05 -0.24 1.80 0.20 0.07 -4.89 118.68 112.66 1non s LEU 160 Ca 0.53 -0.46 -0.10 0.00 0.69 0.00 0.00 54.13 54.79 1non s LEU 160 Cb -0.11 -1.29 -0.05 0.00 -0.43 0.00 0.00 46.19 44.31 1non s LEU 160 CO 0.51 0.28 0.14 -0.63 -0.29 0.00 0.00 176.35 176.36 1non s ILE 161 N -0.42 5.19 -0.21 6.68 -1.09 -1.26 -0.24 121.20 129.85 1non s ILE 161 Ca 0.05 0.12 -0.02 0.00 -2.23 0.00 0.00 60.65 58.56 1non s ILE 161 Cb -0.11 -3.42 0.00 0.00 -1.58 0.00 0.00 42.46 37.35 1non s ILE 161 CO 0.01 0.35 -0.09 -0.69 -1.23 0.00 0.00 174.94 173.29 1non s VAL 162 N 1.12 2.98 -0.27 2.92 1.01 -0.28 -4.99 120.40 122.90 1non s VAL 162 Ca 0.07 -0.65 -0.06 0.00 0.00 0.00 0.00 61.98 61.34 1non s VAL 162 Cb -0.14 -2.35 -0.00 0.00 0.00 0.00 0.00 36.38 33.89 1non s VAL 162 CO 0.05 0.44 0.04 -0.69 0.00 0.00 0.00 175.10 174.94 1non s VAL 163 N 1.42 3.87 -0.15 2.92 1.01 -1.26 -1.39 120.40 126.82 1non s VAL 163 Ca 0.05 -0.54 -0.03 0.00 0.00 0.00 0.00 61.98 61.46 1non s VAL 163 Cb -0.14 -2.90 -0.03 0.00 0.00 0.00 0.00 36.38 33.31 1non s VAL 163 CO -0.06 0.22 -0.04 -1.61 0.00 0.00 0.00 175.10 173.61 1non s GLU 164 N 1.51 3.60 -0.03 2.72 2.02 0.73 -5.00 118.70 124.25 1non s GLU 164 Ca 0.04 -0.52 0.06 0.00 0.02 0.00 0.00 54.97 54.57 1non s GLU 164 Cb -0.16 -2.88 -0.01 0.00 0.10 0.00 0.00 34.13 31.17 1non s GLU 164 CO 0.01 0.28 -0.22 -0.51 0.02 0.00 0.00 175.26 174.84 1non s LEU 165 N 0.26 2.02 0.36 1.80 1.43 -0.87 -0.91 118.68 122.77 1non s LEU 165 Ca -0.03 -0.42 0.14 0.00 -1.03 0.00 0.00 54.13 52.79 1non s LEU 165 Cb -0.14 -1.17 1.00 0.00 0.03 0.00 0.00 46.19 45.91 1non s LEU 165 CO 0.03 0.24 1.74 0.77 0.23 0.00 0.00 176.35 179.36 1non h SER 166 N 5.86 0.56 0.16 2.29 4.64 -1.67 0.63 113.55 126.02 1non h SER 166 Ca -0.36 0.12 -0.01 0.00 -0.47 0.00 0.00 61.79 61.06 1non h SER 166 Cb 1.15 0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1non h SER 166 CO 0.47 0.08 -0.04 -0.33 -0.87 0.00 0.00 176.83 176.14 1non h GLU 167 N 0.48 0.00 0.00 4.77 3.07 -1.93 -2.51 114.58 118.46 1non h GLU 167 Ca 0.63 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.49 1non h GLU 167 Cb 1.40 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.31 1non h GLU 167 CO -0.40 0.04 -0.76 0.28 -1.40 0.00 0.00 179.01 176.77 1non n VAL 168 N -3.66 0.00 0.16 3.13 0.31 -0.17 -4.83 118.33 113.27 1non n VAL 168 Ca -0.02 0.00 0.02 0.00 -0.01 0.00 0.00 64.34 64.33 1non n VAL 168 Cb 0.14 -0.47 0.03 0.00 -0.91 0.00 0.00 33.84 32.63 1non n VAL 168 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1non n ASP 169 N -1.51 1.55 0.00 4.52 8.00 0.20 -4.97 116.55 124.34 1non n ASP 169 Ca 0.00 -1.32 0.00 0.00 0.71 0.00 0.00 54.79 54.18 1non n ASP 169 Cb 0.28 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.37 1non n ASP 169 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1non n GLY 170 N 0.22 2.62 3.30 0.44 0.00 -0.95 -4.89 105.19 105.92 1non n GLY 170 Ca 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 1non n GLY 170 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1non s ILE 171 N -2.39 0.08 -0.32 -0.61 -4.36 -1.26 -4.72 121.20 107.62 1non s ILE 171 Ca 0.00 -0.66 -0.12 0.00 -0.26 0.00 0.00 60.65 59.62 1non s ILE 171 Cb 0.00 -1.16 -0.02 0.00 1.25 0.00 0.00 42.46 42.53 1non s ILE 171 CO 0.00 -0.36 0.20 -1.81 0.24 0.00 0.00 174.94 173.21 1non s ASP 172 N -2.71 5.89 -0.26 4.36 1.11 -1.25 -1.91 116.67 121.91 1non s ASP 172 Ca 0.02 -0.37 -0.26 0.00 0.18 0.00 0.00 52.55 52.11 1non s ASP 172 Cb 0.02 -2.09 0.14 0.00 1.07 0.00 0.00 42.92 42.05 1non s ASP 172 CO -0.11 -0.19 1.10 -1.58 1.18 0.00 0.00 175.17 175.58 1non s GLN 173 N 1.70 0.44 -0.10 8.23 0.74 -0.08 -2.72 119.66 127.86 1non s GLN 173 Ca 0.06 0.38 0.03 0.00 0.05 0.00 0.00 55.36 55.88 1non s GLN 173 Cb -0.17 0.21 0.00 0.00 1.10 0.00 0.00 33.01 34.15 1non s GLN 173 CO 0.09 -0.08 -0.22 0.08 -0.55 0.00 0.00 175.29 174.62 1non s VAL 174 N -0.18 1.89 0.15 1.34 1.01 -0.02 -0.19 120.40 124.39 1non s VAL 174 Ca 0.03 -0.91 -0.01 0.00 0.00 0.00 0.00 61.98 61.09 1non s VAL 174 Cb -0.04 -1.65 -0.04 0.00 0.00 0.00 0.00 36.38 34.65 1non s VAL 174 CO -0.06 0.52 0.06 -0.94 0.00 0.00 0.00 175.10 174.69 1non s SER 175 N 0.47 0.39 -0.18 3.32 1.04 -0.48 -0.88 113.70 117.37 1non s SER 175 Ca -0.16 -1.24 -0.04 0.00 0.48 0.00 0.00 55.95 54.98 1non s SER 175 Cb -0.17 0.29 -0.02 0.00 0.10 0.00 0.00 66.02 66.22 1non s SER 175 CO 0.07 -0.73 -0.03 -0.63 0.98 0.00 0.00 173.24 172.90 1non s ILE 176 N -4.02 3.81 0.32 -1.02 1.01 0.15 -1.13 121.20 120.32 1non s ILE 176 Ca 0.27 -0.37 0.10 0.00 0.00 0.00 0.00 60.65 60.65 1non s ILE 176 Cb 0.07 -2.70 -0.05 0.00 0.01 0.00 0.00 42.46 39.79 1non s ILE 176 CO 0.04 0.45 -0.04 -1.00 0.00 0.00 0.00 174.94 174.40 1non s HIS 177 N 0.81 2.51 -0.30 3.97 3.76 0.67 0.54 115.29 127.26 1non s HIS 177 Ca -0.01 -0.39 -0.16 0.00 -0.15 0.00 0.00 55.06 54.36 1non s HIS 177 Cb -0.14 -1.34 0.17 0.00 1.11 0.00 0.00 32.58 32.38 1non s HIS 177 CO 0.02 0.56 1.10 -2.00 -0.85 0.00 0.00 174.74 173.56 1non s GLU 178 N -3.66 0.23 0.00 1.40 2.12 0.19 -0.75 118.70 118.22 1non s GLU 178 Ca 0.33 0.44 0.00 0.00 0.36 0.00 0.00 54.97 56.10 1non s GLU 178 Cb -0.02 0.12 0.00 0.00 0.26 0.00 0.00 34.13 34.49 1non s GLU 178 CO 0.18 -0.06 0.16 1.17 -0.54 0.00 0.00 175.26 176.18