#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oug s SER 3 N 0.00 -0.03 0.41 1.69 1.04 -0.68 -4.94 113.70 111.19 2oug s SER 3 Ca 0.00 -0.72 -0.06 0.00 0.48 0.00 0.00 55.95 55.65 2oug s SER 3 Cb 0.00 0.46 -0.05 0.00 0.10 0.00 0.00 66.02 66.53 2oug s SER 3 CO 0.00 -0.90 0.71 0.26 0.98 0.00 0.00 173.24 174.29 2oug s TRP 4 N -3.92 3.51 0.04 5.02 0.52 -1.26 -2.48 118.94 120.38 2oug s TRP 4 Ca 0.13 0.80 -0.17 0.00 0.02 0.00 0.00 56.10 56.88 2oug s TRP 4 Cb 0.02 -2.27 0.03 0.00 -1.15 0.00 0.00 33.47 30.11 2oug s TRP 4 CO -0.03 -0.11 0.39 0.71 0.02 0.00 0.00 176.95 177.94 2oug s TYR 5 N -2.47 -0.24 -0.22 -1.98 1.51 0.13 -2.69 117.35 111.39 2oug s TYR 5 Ca 0.47 0.20 -0.05 0.00 -1.01 0.00 0.00 57.07 56.68 2oug s TYR 5 Cb -0.10 0.20 -0.02 0.00 -0.11 0.00 0.00 41.96 41.93 2oug s TYR 5 CO 0.37 -0.55 -0.01 -0.51 -1.11 0.00 0.00 175.55 173.74 2oug s LEU 6 N -1.97 3.09 -0.07 -1.29 1.43 -1.26 0.16 118.68 118.76 2oug s LEU 6 Ca -0.06 -0.30 0.02 0.00 -1.03 0.00 0.00 54.13 52.76 2oug s LEU 6 Cb -0.01 -1.79 -0.03 0.00 0.03 0.00 0.00 46.19 44.39 2oug s LEU 6 CO -0.02 0.01 -0.10 -0.76 0.23 0.00 0.00 176.35 175.70 2oug s LEU 7 N 1.34 2.95 -0.15 1.79 1.43 -0.15 -1.40 118.68 124.50 2oug s LEU 7 Ca 0.04 -0.13 -0.09 0.00 -1.03 0.00 0.00 54.13 52.92 2oug s LEU 7 Cb -0.15 -1.63 -0.05 0.00 0.03 0.00 0.00 46.19 44.40 2oug s LEU 7 CO -0.00 0.32 0.16 -0.47 0.23 0.00 0.00 176.35 176.59 2oug s TYR 8 N -0.57 3.52 0.23 0.29 5.04 0.12 -0.81 117.35 125.17 2oug s TYR 8 Ca 0.08 0.48 0.07 0.00 -2.44 0.00 0.00 57.07 55.26 2oug s TYR 8 Cb -0.12 -2.08 -0.04 0.00 0.35 0.00 0.00 41.96 40.08 2oug s TYR 8 CO 0.02 0.52 0.15 0.00 -1.34 0.00 0.00 175.55 174.89 2oug s LYS 10 N -3.62 1.94 0.24 0.00 1.02 -0.13 -4.75 119.74 114.44 2oug s LYS 10 Ca 0.32 1.27 0.18 0.00 0.02 0.00 0.00 55.97 57.76 2oug s LYS 10 Cb -0.08 -1.85 0.81 0.00 -0.52 0.00 0.00 37.83 36.18 2oug s LYS 10 CO 0.24 -1.90 0.83 0.54 -0.92 0.00 0.00 175.35 174.14 2oug n ARG 11 N -3.69 -0.02 -0.60 1.68 1.74 -1.26 -2.26 116.66 112.25 2oug n ARG 11 Ca 0.10 0.66 0.00 0.00 -0.77 0.00 0.00 57.85 57.84 2oug n ARG 11 Cb 0.53 -1.32 -0.00 0.00 -1.02 0.00 0.00 32.46 30.64 2oug n ARG 11 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2oug n GLY 12 N -1.29 0.66 0.88 -0.13 0.00 -1.26 -4.88 105.19 99.16 2oug n GLY 12 Ca 0.22 -0.07 0.07 0.00 0.00 0.00 0.00 46.02 46.24 2oug n GLY 12 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2oug n GLN 13 N 0.04 2.89 0.10 1.61 6.02 -0.96 -4.62 117.38 122.46 2oug n GLN 13 Ca -0.00 -2.29 -0.12 0.00 -0.01 0.00 0.00 57.00 54.57 2oug n GLN 13 Cb 0.69 -1.41 -0.05 0.00 1.02 0.00 0.00 30.24 30.49 2oug n GLN 13 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 2oug h LEU 14 N 2.68 -0.69 -0.23 1.08 5.85 -1.85 0.61 115.31 122.76 2oug h LEU 14 Ca 0.00 0.08 0.06 0.00 0.84 0.00 0.00 57.88 58.86 2oug h LEU 14 Cb 0.87 0.27 -0.07 0.00 0.37 0.00 0.00 40.66 42.09 2oug h LEU 14 CO 0.02 -0.33 -0.28 -0.61 -0.34 0.00 0.00 178.44 176.90 2oug h GLN 15 N -0.43 -0.29 -0.08 1.25 5.75 -1.97 0.93 115.11 120.27 2oug h GLN 15 Ca 0.03 0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.56 2oug h GLN 15 Cb 0.47 0.07 -0.01 0.00 1.07 0.00 0.00 27.48 29.08 2oug h GLN 15 CO -0.15 -0.19 0.04 0.00 -2.65 0.00 0.00 178.83 175.88 2oug h ARG 16 N -0.30 0.09 -1.00 1.69 3.08 -1.82 -2.16 114.38 113.96 2oug h ARG 16 Ca 0.13 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.19 2oug h ARG 16 Cb 0.50 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.48 2oug h ARG 16 CO -0.40 0.06 0.66 0.00 -1.07 0.00 0.00 179.97 179.22 2oug h ALA 17 N 1.04 1.29 -0.80 0.04 0.00 -0.43 -2.02 119.26 118.38 2oug h ALA 17 Ca 0.03 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 2oug h ALA 17 Cb 0.00 -0.39 -0.04 0.00 0.00 0.00 0.00 17.79 17.37 2oug h ALA 17 CO -0.02 0.62 0.34 0.37 0.00 0.00 0.00 179.25 180.55 2oug h GLN 18 N 1.32 1.18 -0.43 0.00 4.15 -0.55 -2.09 115.11 118.70 2oug h GLN 18 Ca 0.38 -0.20 -0.00 0.00 0.77 0.00 0.00 58.65 59.59 2oug h GLN 18 Cb -0.10 -0.20 -0.02 0.00 0.21 0.00 0.00 27.48 27.37 2oug h GLN 18 CO -0.10 0.94 0.26 0.93 -1.93 0.00 0.00 178.83 178.94 2oug h GLU 19 N 1.16 0.58 0.32 1.69 5.08 -0.74 -2.23 114.58 120.44 2oug h GLU 19 Ca 0.27 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.57 2oug h GLU 19 Cb 0.19 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 2oug h GLU 19 CO -0.03 0.42 -0.36 0.45 -1.00 0.00 0.00 179.01 178.50 2oug h HIS 20 N 0.57 -1.00 0.00 4.33 3.86 -1.06 0.18 115.15 122.04 2oug h HIS 20 Ca 0.15 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.37 2oug h HIS 20 Cb -0.01 0.39 0.00 0.00 1.06 0.00 0.00 27.41 28.85 2oug h HIS 20 CO -0.03 -0.47 0.23 -0.07 0.86 0.00 0.00 177.93 178.45 2oug h LEU 21 N -0.69 0.00 0.09 2.43 3.38 -1.34 0.43 115.31 119.61 2oug h LEU 21 Ca -0.04 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.57 2oug h LEU 21 Cb 0.60 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 2oug h LEU 21 CO -0.06 0.00 -2.02 -0.62 0.09 0.00 0.00 178.44 175.83 2oug n GLU 22 N -2.60 0.73 -0.35 1.13 1.02 -0.85 -0.99 120.64 118.74 2oug n GLU 22 Ca -0.02 0.25 -0.00 0.00 -0.02 0.00 0.00 57.16 57.37 2oug n GLU 22 Cb 0.27 -1.70 0.13 0.00 -0.02 0.00 0.00 31.44 30.13 2oug n GLU 22 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2oug h ARG 23 N 0.05 1.14 -7.15 3.49 3.08 0.15 -3.37 114.38 111.76 2oug h ARG 23 Ca -0.43 -0.07 -0.47 0.00 0.07 0.00 0.00 59.98 59.09 2oug h ARG 23 Cb 2.02 -0.26 0.02 0.00 0.08 0.00 0.00 29.97 31.84 2oug h ARG 23 CO 0.07 0.75 0.37 -1.14 -1.07 0.00 0.00 179.97 178.95 2oug s GLN 24 N -6.08 3.84 0.00 0.04 0.74 0.12 -4.94 119.66 113.38 2oug s GLN 24 Ca -0.13 1.10 0.00 0.00 0.05 0.00 0.00 55.36 56.38 2oug s GLN 24 Cb 0.18 -2.12 0.00 0.00 1.10 0.00 0.00 33.01 32.18 2oug s GLN 24 CO 0.81 -0.37 0.65 0.00 -0.55 0.00 0.00 175.29 175.83 2oug n ALA 25 N -1.42 0.86 -1.77 1.58 0.00 -1.26 -4.69 120.51 113.81 2oug n ALA 25 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.12 2oug n ALA 25 Cb 0.54 -0.71 -0.02 0.00 0.00 0.00 0.00 19.45 19.25 2oug n ALA 25 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2oug s VAL 26 N -2.30 3.02 -0.22 0.00 1.01 -0.16 -4.96 120.40 116.79 2oug s VAL 26 Ca 0.00 0.96 -0.18 0.00 0.00 0.00 0.00 61.98 62.76 2oug s VAL 26 Cb 0.00 -3.58 -0.03 0.00 0.00 0.00 0.00 36.38 32.77 2oug s VAL 26 CO 0.00 0.17 0.51 0.20 0.00 0.00 0.00 175.10 175.98 2oug s ASN 27 N -0.82 6.50 0.23 3.32 0.01 -1.12 -3.72 114.94 119.35 2oug s ASN 27 Ca 0.51 0.60 0.06 0.00 -0.71 0.00 0.00 52.86 53.33 2oug s ASN 27 Cb -0.35 -2.28 -0.04 0.00 0.41 0.00 0.00 41.25 38.99 2oug s ASN 27 CO 0.45 -0.22 0.19 0.00 -1.51 0.00 0.00 177.10 176.02 2oug s LEU 29 N -3.70 -0.50 -0.58 0.00 0.20 -0.53 -4.97 118.68 108.61 2oug s LEU 29 Ca 0.33 -0.14 0.04 0.00 0.69 0.00 0.00 54.13 55.05 2oug s LEU 29 Cb -0.08 0.88 0.15 0.00 -0.43 0.00 0.00 46.19 46.70 2oug s LEU 29 CO 0.25 -0.33 0.35 0.00 -0.29 0.00 0.00 176.35 176.33 2oug s ALA 30 N 2.47 3.32 0.68 5.97 0.00 -1.26 -2.29 121.76 130.65 2oug s ALA 30 Ca 0.11 -3.39 -0.17 0.00 0.00 0.00 0.00 51.96 48.50 2oug s ALA 30 Cb -0.15 -2.12 -0.00 0.00 0.00 0.00 0.00 23.12 20.86 2oug s ALA 30 CO -0.21 -2.05 1.11 -2.30 0.00 0.00 0.00 175.76 172.31 2oug n PRO 31 N 2.71 0.76 -4.39 0.00 -0.02 -1.26 -4.92 135.00 127.88 2oug n PRO 31 Ca 0.12 0.31 -0.25 0.00 -2.02 0.00 0.00 63.50 61.66 2oug n PRO 31 Cb 0.34 -2.35 -0.10 0.00 -0.02 0.00 0.00 33.50 31.38 2oug n PRO 31 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 2oug s MET 32 N -3.33 1.84 -0.03 -0.52 -1.94 -1.26 -1.54 119.30 112.52 2oug s MET 32 Ca 0.77 -1.55 0.03 0.00 -1.71 0.00 0.00 55.69 53.24 2oug s MET 32 Cb -0.36 -1.94 -0.00 0.00 2.01 0.00 0.00 34.83 34.54 2oug s MET 32 CO 0.46 0.37 -0.13 -1.50 -0.01 0.00 0.00 175.02 174.21 2oug s ILE 33 N -2.14 1.09 -0.25 2.53 -1.16 0.29 -4.60 121.20 116.96 2oug s ILE 33 Ca 0.27 -0.53 -0.14 0.00 -0.51 0.00 0.00 60.65 59.74 2oug s ILE 33 Cb -0.07 -0.95 -0.04 0.00 0.61 0.00 0.00 42.46 42.01 2oug s ILE 33 CO 0.15 0.32 0.31 -0.89 -2.81 0.00 0.00 174.94 172.02 2oug s THR 34 N 0.09 5.24 0.08 4.00 2.01 -1.26 -1.02 115.64 124.80 2oug s THR 34 Ca -0.03 0.46 0.05 0.00 0.31 0.00 0.00 61.69 62.48 2oug s THR 34 Cb -0.10 -3.64 -0.03 0.00 0.01 0.00 0.00 72.50 68.74 2oug s THR 34 CO 0.01 0.23 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.29 2oug s LEU 35 N 1.63 2.33 -0.58 4.42 1.43 0.26 -4.93 118.68 123.24 2oug s LEU 35 Ca 0.13 -0.69 -0.19 0.00 -1.03 0.00 0.00 54.13 52.35 2oug s LEU 35 Cb -0.15 -0.43 0.10 0.00 0.03 0.00 0.00 46.19 45.74 2oug s LEU 35 CO 0.08 -0.15 0.67 -0.70 0.23 0.00 0.00 176.35 176.49 2oug s GLU 36 N -2.16 3.05 0.26 1.70 -6.30 -1.26 0.12 118.70 114.11 2oug s GLU 36 Ca 0.01 -1.31 0.10 0.00 -2.50 0.00 0.00 54.97 51.27 2oug s GLU 36 Cb -0.07 -4.25 -0.04 0.00 0.00 0.00 0.00 34.13 29.76 2oug s GLU 36 CO 0.02 -1.48 -0.05 0.21 0.02 0.00 0.00 175.26 173.97 2oug s LYS 37 N 2.58 2.15 -0.39 4.30 2.20 -1.12 -4.93 119.74 124.53 2oug s LYS 37 Ca 0.11 -1.47 -0.25 0.00 -0.36 0.00 0.00 55.97 54.00 2oug s LYS 37 Cb -0.24 -2.08 0.02 0.00 -1.51 0.00 0.00 37.83 34.01 2oug s LYS 37 CO 0.07 0.37 0.89 0.42 -0.36 0.00 0.00 175.35 176.73 2oug s ILE 38 N -2.29 4.60 -0.04 5.43 1.01 -1.26 -1.62 121.20 127.03 2oug s ILE 38 Ca 0.30 1.01 -0.02 0.00 0.00 0.00 0.00 60.65 61.94 2oug s ILE 38 Cb -0.06 -4.32 -0.01 0.00 0.01 0.00 0.00 42.46 38.08 2oug s ILE 38 CO 0.18 -0.57 -0.04 0.58 0.00 0.00 0.00 174.94 175.09 2oug h VAL 39 N 5.86 0.00 -2.32 2.92 2.07 -1.01 -3.46 116.25 120.31 2oug h VAL 39 Ca -0.24 -0.30 -0.58 0.00 0.82 0.00 0.00 66.70 66.40 2oug h VAL 39 Cb 1.08 0.00 -0.39 0.00 -1.52 0.00 0.00 31.29 30.46 2oug h VAL 39 CO 0.97 0.00 -0.96 0.54 0.02 0.00 0.00 177.57 178.15 2oug n ARG 40 N -2.93 0.62 -0.21 1.57 1.74 -1.26 -4.81 116.66 111.37 2oug n ARG 40 Ca -0.02 -3.40 0.00 0.00 -0.77 0.00 0.00 57.85 53.66 2oug n ARG 40 Cb 0.06 -1.63 0.00 0.00 -1.02 0.00 0.00 32.46 29.87 2oug n ARG 40 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2oug n GLY 41 N 2.23 0.84 3.65 -0.13 0.00 -1.26 -4.91 105.19 105.61 2oug n GLY 41 Ca 0.26 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.97 2oug n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2oug s LYS 42 N -0.20 2.61 -1.25 1.61 1.02 -1.26 -5.04 119.74 117.23 2oug s LYS 42 Ca 0.00 -0.73 -0.09 0.00 0.02 0.00 0.00 55.97 55.17 2oug s LYS 42 Cb 0.00 -2.56 0.18 0.00 -0.52 0.00 0.00 37.83 34.93 2oug s LYS 42 CO 0.00 0.59 1.79 0.54 -0.92 0.00 0.00 175.35 177.35 2oug n ARG 43 N 1.18 3.68 -3.01 1.68 1.74 -1.26 -0.36 116.66 120.30 2oug n ARG 43 Ca -0.14 -3.67 -0.40 0.00 -0.77 0.00 0.00 57.85 52.88 2oug n ARG 43 Cb 0.52 -2.89 -0.05 0.00 -1.02 0.00 0.00 32.46 29.02 2oug n ARG 43 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2oug s THR 44 N 0.18 4.94 0.45 0.55 2.01 -0.64 -4.76 115.64 118.37 2oug s THR 44 Ca 0.39 1.53 -0.23 0.00 0.31 0.00 0.00 61.69 63.68 2oug s THR 44 Cb 0.08 -4.08 -0.07 0.00 0.01 0.00 0.00 72.50 68.44 2oug s THR 44 CO 0.01 0.28 1.20 0.00 -0.69 0.00 0.00 174.62 175.43 2oug s ALA 45 N 0.53 3.02 0.08 7.40 0.00 -1.26 -2.80 121.76 128.73 2oug s ALA 45 Ca 0.39 1.02 0.01 0.00 0.00 0.00 0.00 51.96 53.37 2oug s ALA 45 Cb -0.19 -3.41 -0.04 0.00 0.00 0.00 0.00 23.12 19.48 2oug s ALA 45 CO 0.20 -0.73 -0.06 0.08 0.00 0.00 0.00 175.76 175.25 2oug s VAL 46 N -1.46 0.55 -0.19 0.00 1.01 0.33 -4.92 120.40 115.71 2oug s VAL 46 Ca 0.63 -1.81 0.01 0.00 0.00 0.00 0.00 61.98 60.80 2oug s VAL 46 Cb -0.31 -1.52 0.04 0.00 0.00 0.00 0.00 36.38 34.59 2oug s VAL 46 CO 0.38 -0.85 -0.10 -0.94 0.00 0.00 0.00 175.10 173.59 2oug s SER 47 N -2.85 3.27 0.33 3.32 1.04 -1.26 0.90 113.70 118.45 2oug s SER 47 Ca 0.08 -0.83 0.06 0.00 0.48 0.00 0.00 55.95 55.74 2oug s SER 47 Cb 0.04 -1.19 -0.07 0.00 0.10 0.00 0.00 66.02 64.91 2oug s SER 47 CO -0.06 -0.14 0.01 -1.83 0.98 0.00 0.00 173.24 172.20 2oug s GLU 48 N 1.43 1.69 0.30 4.02 -1.05 -0.18 -4.88 118.70 120.04 2oug s GLU 48 Ca -0.01 -1.92 -0.29 0.00 -0.15 0.00 0.00 54.97 52.61 2oug s GLU 48 Cb -0.16 -1.15 -0.10 0.00 -0.44 0.00 0.00 34.13 32.28 2oug s GLU 48 CO -0.08 -0.08 1.26 -2.14 0.95 0.00 0.00 175.26 175.17 2oug s PRO 49 N -3.79 4.42 0.06 -4.83 0.02 -1.26 0.10 135.00 129.72 2oug s PRO 49 Ca 0.34 2.11 -0.22 0.00 0.02 0.00 0.00 61.00 63.25 2oug s PRO 49 Cb 0.07 -3.11 -0.10 0.00 0.02 0.00 0.00 34.50 31.38 2oug s PRO 49 CO 0.15 -0.11 1.35 1.25 -0.33 0.00 0.00 177.00 179.31 2oug h LEU 50 N 3.72 -0.91 -7.47 -5.54 6.46 -1.53 -3.34 115.31 106.68 2oug h LEU 50 Ca -0.48 0.08 -0.65 0.00 -0.12 0.00 0.00 57.88 56.71 2oug h LEU 50 Cb 1.22 0.31 -0.40 0.00 -0.73 0.00 0.00 40.66 41.07 2oug h LEU 50 CO 0.67 -0.40 -0.61 -0.36 -0.62 0.00 0.00 178.44 177.12 2oug s PHE 51 N -4.77 3.33 0.00 1.25 0.40 -1.26 -4.41 117.98 112.52 2oug s PHE 51 Ca -0.11 -3.06 0.00 0.00 -0.60 0.00 0.00 56.93 53.16 2oug s PHE 51 Cb 0.03 -2.90 0.00 0.00 0.51 0.00 0.00 43.02 40.66 2oug s PHE 51 CO 0.38 -0.80 0.00 -2.30 0.70 0.00 0.00 175.22 173.20 2oug n PRO 52 N 3.41 0.00 0.00 0.24 -0.02 -1.26 -2.07 135.00 135.30 2oug n PRO 52 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 2oug n PRO 52 Cb 0.35 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.83 2oug n PRO 52 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2oug n ASN 53 N 0.00 0.18 -4.89 2.55 3.02 -1.26 -4.82 115.26 110.04 2oug n ASN 53 Ca 0.00 -0.37 -0.30 0.00 -0.03 0.00 0.00 54.58 53.88 2oug n ASN 53 Cb 0.00 -0.09 -0.04 0.00 -0.61 0.00 0.00 39.78 39.04 2oug n ASN 53 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2oug s TYR 54 N -1.05 3.46 -0.15 3.10 1.51 -0.88 -0.77 117.35 122.56 2oug s TYR 54 Ca 0.00 0.73 -0.04 0.00 -1.01 0.00 0.00 57.07 56.75 2oug s TYR 54 Cb 0.00 -2.16 0.07 0.00 -0.11 0.00 0.00 41.96 39.76 2oug s TYR 54 CO 0.00 0.23 0.20 -1.17 -1.11 0.00 0.00 175.55 173.70 2oug s LEU 55 N -3.19 -0.11 0.26 -1.29 2.96 0.01 -4.77 118.68 112.56 2oug s LEU 55 Ca 0.45 0.07 -0.30 0.00 -0.22 0.00 0.00 54.13 54.13 2oug s LEU 55 Cb -0.11 0.38 -0.09 0.00 0.50 0.00 0.00 46.19 46.87 2oug s LEU 55 CO 0.26 -0.29 1.09 -0.36 -1.32 0.00 0.00 176.35 175.73 2oug s PHE 56 N 2.32 3.61 -0.02 5.38 0.40 -0.97 -0.97 117.98 127.73 2oug s PHE 56 Ca 0.05 1.69 0.01 0.00 -0.60 0.00 0.00 56.93 58.08 2oug s PHE 56 Cb -0.14 -3.27 0.01 0.00 0.51 0.00 0.00 43.02 40.13 2oug s PHE 56 CO -0.09 -0.51 -0.04 0.08 0.70 0.00 0.00 175.22 175.37 2oug s VAL 57 N -1.01 0.35 -0.23 -0.44 1.01 0.42 -1.45 120.40 119.05 2oug s VAL 57 Ca 0.45 -0.12 -0.02 0.00 0.00 0.00 0.00 61.98 62.29 2oug s VAL 57 Cb -0.31 -0.34 0.01 0.00 0.00 0.00 0.00 36.38 35.74 2oug s VAL 57 CO 0.40 0.13 -0.08 -0.70 0.00 0.00 0.00 175.10 174.85 2oug s GLU 58 N 0.33 3.06 0.34 2.72 2.12 -0.37 0.20 118.70 127.09 2oug s GLU 58 Ca -0.03 -0.82 -0.13 0.00 0.36 0.00 0.00 54.97 54.34 2oug s GLU 58 Cb -0.07 -2.93 0.03 0.00 0.26 0.00 0.00 34.13 31.42 2oug s GLU 58 CO -0.00 -0.29 0.65 -0.59 -0.54 0.00 0.00 175.26 174.48 2oug s PHE 59 N 1.38 0.34 -0.19 5.30 -0.71 -1.03 -2.78 117.98 120.29 2oug s PHE 59 Ca 0.03 -0.82 -0.03 0.00 -1.04 0.00 0.00 56.93 55.06 2oug s PHE 59 Cb -0.15 0.49 -0.01 0.00 -1.21 0.00 0.00 43.02 42.14 2oug s PHE 59 CO -0.05 -1.32 -0.05 0.34 -1.34 0.00 0.00 175.22 172.79 2oug s ASP 60 N -3.08 4.39 0.32 1.98 2.15 -1.26 -1.69 116.67 119.48 2oug s ASP 60 Ca 0.19 -0.31 0.08 0.00 0.43 0.00 0.00 52.55 52.94 2oug s ASP 60 Cb -0.03 -1.73 0.92 0.00 -0.30 0.00 0.00 42.92 41.77 2oug s ASP 60 CO 0.13 0.06 1.60 -0.65 -0.17 0.00 0.00 175.17 176.13 2oug h PRO 61 N 7.54 0.08 -0.07 4.34 0.11 -1.95 0.47 132.00 142.53 2oug h PRO 61 Ca -0.36 -0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.59 2oug h PRO 61 Cb 1.18 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 2oug h PRO 61 CO 0.60 0.05 -0.63 0.93 -0.21 0.00 0.00 178.00 178.74 2oug h GLU 62 N 0.08 0.26 0.04 1.05 4.39 -1.99 -2.66 114.58 115.74 2oug h GLU 62 Ca 0.66 -0.18 -0.30 0.00 0.34 0.00 0.00 59.36 59.87 2oug h GLU 62 Cb 1.49 0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 30.13 2oug h GLU 62 CO -0.79 0.80 -1.72 0.28 -1.16 0.00 0.00 179.01 176.43 2oug h VAL 63 N 0.19 0.87 -1.82 3.13 2.07 -1.41 -3.43 116.25 115.84 2oug h VAL 63 Ca -0.01 -2.67 -0.34 0.00 0.82 0.00 0.00 66.70 64.50 2oug h VAL 63 Cb 1.15 2.49 -0.29 0.00 -1.52 0.00 0.00 31.29 33.12 2oug h VAL 63 CO 0.10 0.63 -0.68 -0.63 0.02 0.00 0.00 177.57 177.01 2oug s ILE 64 N -2.60 -0.38 0.76 4.57 1.01 -0.13 -5.02 121.20 119.42 2oug s ILE 64 Ca -0.09 -1.05 -0.12 0.00 0.00 0.00 0.00 60.65 59.39 2oug s ILE 64 Cb 0.08 -0.60 0.05 0.00 0.01 0.00 0.00 42.46 42.00 2oug s ILE 64 CO 0.82 -0.55 1.12 -1.38 0.00 0.00 0.00 174.94 174.95 2oug s HIS 65 N 1.29 3.07 0.08 3.97 -3.43 -1.00 -4.40 115.29 114.87 2oug s HIS 65 Ca 0.19 0.99 -0.10 0.00 -0.80 0.00 0.00 55.06 55.34 2oug s HIS 65 Cb -0.12 -3.20 0.04 0.00 -1.43 0.00 0.00 32.58 27.88 2oug s HIS 65 CO -0.04 -1.53 0.66 2.41 -2.00 0.00 0.00 174.74 174.24 2oug n THR 66 N -3.22 -0.26 -0.36 -5.38 -1.04 -1.26 -1.08 114.28 101.68 2oug n THR 66 Ca 0.07 1.01 -0.00 0.00 -2.04 0.00 0.00 64.05 63.09 2oug n THR 66 Cb 0.58 -1.30 0.05 0.00 -1.82 0.00 0.00 70.33 67.84 2oug n THR 66 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 2oug n THR 67 N -4.58 -0.49 0.10 12.58 -1.04 -1.26 -1.68 114.28 117.92 2oug n THR 67 Ca 0.03 2.20 -0.13 0.00 -2.04 0.00 0.00 64.05 64.11 2oug n THR 67 Cb 0.14 -2.93 -0.08 0.00 -1.82 0.00 0.00 70.33 65.65 2oug n THR 67 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 2oug h THR 68 N 0.00 0.92 -0.83 12.58 2.02 -1.45 -3.07 112.91 123.08 2oug h THR 68 Ca 0.34 -0.37 0.17 0.00 0.77 0.00 0.00 66.41 67.32 2oug h THR 68 Cb 0.58 1.15 -0.06 0.00 -1.74 0.00 0.00 68.15 68.08 2oug h THR 68 CO -0.94 0.09 0.55 0.40 0.37 0.00 0.00 175.52 175.99 2oug h ILE 69 N -0.40 0.75 -0.49 3.11 2.04 -1.34 0.81 117.51 121.99 2oug h ILE 69 Ca -0.02 -0.15 -0.06 0.00 1.00 0.00 0.00 64.86 65.63 2oug h ILE 69 Cb 0.31 0.27 -0.02 0.00 -0.74 0.00 0.00 36.82 36.65 2oug h ILE 69 CO 0.04 0.08 0.09 0.78 0.00 0.00 0.00 178.15 179.13 2oug h ASN 70 N 0.44 0.77 -0.10 1.72 2.35 -1.23 -2.45 115.58 117.07 2oug h ASN 70 Ca 0.42 -0.25 0.03 0.00 -0.55 0.00 0.00 56.30 55.94 2oug h ASN 70 Cb 0.97 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 39.13 2oug h ASN 70 CO -0.15 0.83 0.21 0.00 -1.65 0.00 0.00 177.43 176.67 2oug h ALA 71 N 0.97 1.50 -1.68 -0.83 0.00 -0.77 -3.39 119.26 115.06 2oug h ALA 71 Ca 0.15 -0.00 -0.63 0.00 0.00 0.00 0.00 54.91 54.42 2oug h ALA 71 Cb 0.38 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2oug h ALA 71 CO 0.01 -0.26 1.28 2.41 0.00 0.00 0.00 179.25 182.69 2oug n THR 72 N -3.37 0.39 -1.59 0.00 -1.04 -0.93 -4.77 114.28 102.97 2oug n THR 72 Ca -0.00 -0.23 -0.50 0.00 -2.04 0.00 0.00 64.05 61.28 2oug n THR 72 Cb 0.30 -1.91 -0.06 0.00 -1.82 0.00 0.00 70.33 66.84 2oug n THR 72 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2oug n ARG 73 N 7.55 1.65 0.00 -2.82 1.74 -1.26 -0.95 116.66 122.58 2oug n ARG 73 Ca 0.31 0.55 0.00 0.00 -0.77 0.00 0.00 57.85 57.93 2oug n ARG 73 Cb 0.30 -2.59 0.00 0.00 -1.02 0.00 0.00 32.46 29.14 2oug n ARG 73 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2oug n GLY 74 N 5.29 2.17 3.63 -0.13 0.00 -1.26 -3.70 105.19 111.19 2oug n GLY 74 Ca 0.30 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.90 2oug n GLY 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2oug s VAL 75 N -2.05 4.76 -0.13 1.61 1.01 -0.12 -0.95 120.40 124.52 2oug s VAL 75 Ca 0.00 1.51 -0.19 0.00 0.00 0.00 0.00 61.98 63.30 2oug s VAL 75 Cb 0.00 -4.19 -0.26 0.00 0.00 0.00 0.00 36.38 31.93 2oug s VAL 75 CO 0.00 -0.20 0.53 0.77 0.00 0.00 0.00 175.10 176.20 2oug h SER 76 N 7.86 0.25 -5.19 3.32 4.64 -1.13 -3.46 113.55 119.84 2oug h SER 76 Ca -0.23 -0.81 0.15 0.00 -0.47 0.00 0.00 61.79 60.44 2oug h SER 76 Cb 1.09 -0.08 -0.09 0.00 -0.31 0.00 0.00 62.40 63.01 2oug h SER 76 CO 0.91 1.49 0.45 -1.38 -0.87 0.00 0.00 176.83 177.43 2oug s HIS 77 N -2.41 -0.18 0.17 4.77 -3.43 -0.92 -4.99 115.29 108.31 2oug s HIS 77 Ca -0.21 -0.12 -0.03 0.00 -0.80 0.00 0.00 55.06 53.89 2oug s HIS 77 Cb 0.03 0.63 -0.05 0.00 -1.43 0.00 0.00 32.58 31.77 2oug s HIS 77 CO 0.72 -0.84 0.39 -0.06 -2.00 0.00 0.00 174.74 172.95 2oug s PHE 78 N -3.35 3.48 0.30 0.38 0.40 -1.26 0.11 117.98 118.04 2oug s PHE 78 Ca 0.11 0.46 -0.22 0.00 -0.60 0.00 0.00 56.93 56.68 2oug s PHE 78 Cb -0.02 -1.94 -0.09 0.00 0.51 0.00 0.00 43.02 41.48 2oug s PHE 78 CO 0.01 0.40 0.85 0.08 0.70 0.00 0.00 175.22 177.26 2oug s VAL 79 N -1.77 4.40 -0.01 -0.44 1.01 -0.49 -4.91 120.40 118.19 2oug s VAL 79 Ca 0.40 1.52 0.04 0.00 0.00 0.00 0.00 61.98 63.94 2oug s VAL 79 Cb -0.12 -3.87 -0.01 0.00 0.00 0.00 0.00 36.38 32.38 2oug s VAL 79 CO 0.27 0.08 -0.13 -0.13 0.00 0.00 0.00 175.10 175.19 2oug s ARG 80 N -2.25 1.10 0.00 2.72 0.52 -1.26 0.07 118.95 119.85 2oug s ARG 80 Ca 0.50 -0.46 0.00 0.00 -0.52 0.00 0.00 55.73 55.25 2oug s ARG 80 Cb -0.16 -1.05 0.00 0.00 0.52 0.00 0.00 34.95 34.26 2oug s ARG 80 CO 0.21 0.26 0.00 0.34 0.02 0.00 0.00 175.30 176.13 2oug n PHE 81 N 2.85 0.00 -1.58 -0.53 7.35 -1.16 -4.64 117.46 119.74 2oug n PHE 81 Ca -0.15 0.00 -0.45 0.00 -0.76 0.00 0.00 57.45 56.10 2oug n PHE 81 Cb 0.55 0.00 -0.04 0.00 0.35 0.00 0.00 39.48 40.34 2oug n PHE 81 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2oug n GLY 82 N 2.65 1.04 0.23 7.13 0.00 -1.26 -4.74 105.19 110.25 2oug n GLY 82 Ca 0.00 0.82 -0.02 0.00 0.00 0.00 0.00 46.02 46.82 2oug n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oug n ALA 83 N 10.72 -0.14 0.09 4.61 0.00 -1.26 0.31 120.51 134.84 2oug n ALA 83 Ca 0.30 0.58 -0.06 0.00 0.00 0.00 0.00 53.44 54.26 2oug n ALA 83 Cb 0.40 -0.23 -0.03 0.00 0.00 0.00 0.00 19.45 19.59 2oug n ALA 83 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2oug h SER 84 N 0.00 -0.49 -2.42 0.00 0.87 -1.96 -3.44 113.55 106.10 2oug h SER 84 Ca 0.18 0.04 -0.61 0.00 -1.23 0.00 0.00 61.79 60.18 2oug h SER 84 Cb 0.33 0.17 0.11 0.00 -0.44 0.00 0.00 62.40 62.57 2oug h SER 84 CO -0.59 -0.23 0.09 -2.65 -0.53 0.00 0.00 176.83 172.93 2oug n PRO 85 N -3.40 1.29 -2.75 2.24 -0.02 0.15 -4.95 135.00 127.55 2oug n PRO 85 Ca -0.04 0.45 -0.35 0.00 -2.02 0.00 0.00 63.50 61.54 2oug n PRO 85 Cb 0.16 -1.81 -0.06 0.00 -0.02 0.00 0.00 33.50 31.77 2oug n PRO 85 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2oug s ALA 86 N -1.07 3.12 0.36 3.55 0.00 -1.26 -2.98 121.76 123.49 2oug s ALA 86 Ca 0.59 0.51 -0.11 0.00 0.00 0.00 0.00 51.96 52.94 2oug s ALA 86 Cb -0.70 -3.19 -0.07 0.00 0.00 0.00 0.00 23.12 19.16 2oug s ALA 86 CO 0.60 0.09 0.73 0.42 0.00 0.00 0.00 175.76 177.60 2oug s ILE 87 N -1.84 4.78 -0.40 0.00 1.01 0.11 -4.63 121.20 120.23 2oug s ILE 87 Ca 0.56 0.66 -0.11 0.00 0.00 0.00 0.00 60.65 61.76 2oug s ILE 87 Cb -0.16 -3.69 0.05 0.00 0.01 0.00 0.00 42.46 38.67 2oug s ILE 87 CO 0.20 -0.39 0.24 -0.69 0.00 0.00 0.00 174.94 174.31 2oug s VAL 88 N -2.21 4.57 0.33 2.92 1.01 -1.26 -4.21 120.40 121.55 2oug s VAL 88 Ca 0.51 -1.02 -0.28 0.00 0.00 0.00 0.00 61.98 61.19 2oug s VAL 88 Cb -0.10 -3.64 -0.10 0.00 0.00 0.00 0.00 36.38 32.54 2oug s VAL 88 CO 0.27 -0.35 1.20 -2.84 0.00 0.00 0.00 175.10 173.38 2oug s PRO 89 N 1.53 4.38 0.52 2.72 0.02 -1.10 -4.93 135.00 138.15 2oug s PRO 89 Ca 0.02 1.99 -0.22 0.00 0.02 0.00 0.00 61.00 62.81 2oug s PRO 89 Cb -0.21 -3.02 -0.06 0.00 0.02 0.00 0.00 34.50 31.23 2oug s PRO 89 CO 0.06 -0.08 1.30 0.43 -0.33 0.00 0.00 177.00 178.37 2oug n SER 90 N 0.76 2.48 -0.31 2.53 7.64 -1.26 -4.46 113.62 121.00 2oug n SER 90 Ca 0.01 1.00 0.24 0.00 1.01 0.00 0.00 58.87 61.13 2oug n SER 90 Cb 0.44 -1.54 0.55 0.00 -1.01 0.00 0.00 64.21 62.65 2oug n SER 90 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2oug h ALA 91 N 1.53 2.37 -0.04 -0.43 0.00 -2.01 0.22 119.26 120.91 2oug h ALA 91 Ca -0.50 0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.31 2oug h ALA 91 Cb 1.31 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 2oug h ALA 91 CO 0.57 -0.76 -0.63 0.28 0.00 0.00 0.00 179.25 178.72 2oug h VAL 92 N 0.33 1.42 -0.66 0.00 2.07 -2.00 -2.67 116.25 114.74 2oug h VAL 92 Ca 0.58 -2.08 -0.08 0.00 0.82 0.00 0.00 66.70 65.94 2oug h VAL 92 Cb 1.59 2.09 -0.03 0.00 -1.52 0.00 0.00 31.29 33.43 2oug h VAL 92 CO -0.24 0.61 0.12 0.40 0.02 0.00 0.00 177.57 178.47 2oug h ILE 93 N 0.10 1.26 -0.50 4.57 2.04 -0.89 -2.97 117.51 121.12 2oug h ILE 93 Ca -0.01 -1.02 -0.04 0.00 1.00 0.00 0.00 64.86 64.80 2oug h ILE 93 Cb 1.13 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 37.84 2oug h ILE 93 CO 0.09 0.38 0.18 0.45 0.00 0.00 0.00 178.15 179.25 2oug h HIS 94 N 1.00 0.79 0.20 1.37 3.86 -1.43 -3.16 115.15 117.78 2oug h HIS 94 Ca 0.20 -0.07 0.00 0.00 -1.16 0.00 0.00 60.37 59.34 2oug h HIS 94 Cb 0.43 -0.23 -0.04 0.00 1.06 0.00 0.00 27.41 28.63 2oug h HIS 94 CO 0.03 0.67 -0.48 1.96 0.86 0.00 0.00 177.93 180.98 2oug h GLN 95 N 0.67 -0.72 0.00 2.45 4.20 -1.33 -1.78 115.11 118.60 2oug h GLN 95 Ca 0.16 0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.92 2oug h GLN 95 Cb 0.24 0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.18 2oug h GLN 95 CO -0.01 -0.48 0.35 -0.07 -0.67 0.00 0.00 178.83 177.95 2oug h LEU 96 N -0.74 0.00 -0.07 1.46 4.07 -1.51 -0.93 115.31 117.59 2oug h LEU 96 Ca -0.02 0.00 -0.17 0.00 0.08 0.00 0.00 57.88 57.77 2oug h LEU 96 Cb 0.72 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.47 2oug h LEU 96 CO -0.21 0.00 -0.61 -1.28 -1.08 0.00 0.00 178.44 175.26 2oug h SER 97 N 0.00 0.65 0.00 -0.43 0.87 -1.29 -3.38 113.55 109.98 2oug h SER 97 Ca 0.00 -0.69 0.00 0.00 -1.23 0.00 0.00 61.79 59.87 2oug h SER 97 Cb 0.70 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.46 2oug h SER 97 CO 0.00 1.24 0.00 0.52 -0.53 0.00 0.00 176.83 178.06 2oug n VAL 98 N -4.16 0.00 -0.02 2.23 0.31 -0.36 -4.66 118.33 111.67 2oug n VAL 98 Ca -0.09 0.24 -0.13 0.00 -0.01 0.00 0.00 64.34 64.35 2oug n VAL 98 Cb 0.66 -1.00 -0.00 0.00 -0.91 0.00 0.00 33.84 32.59 2oug n VAL 98 CO 0.00 0.00 0.00 0.10 -1.32 0.00 0.00 176.83 175.61 2oug h TYR 99 N 0.00 0.88 0.00 3.52 -0.00 -1.83 -3.53 116.97 116.01 2oug h TYR 99 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 58.73 58.40 2oug h TYR 99 Cb 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 36.73 36.57 2oug h TYR 99 CO 0.00 1.12 0.00 1.63 -0.00 0.00 0.00 178.16 180.91 2oug n LYS 100 N -3.96 0.00 -0.09 0.10 5.02 -1.26 -5.14 118.16 112.83 2oug n LYS 100 Ca -0.04 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.13 2oug n LYS 100 Cb 0.65 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.62 2oug n LYS 100 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2oug n LYS 115 N 0.00 0.53 0.07 1.97 5.02 -1.26 -5.10 118.16 119.38 2oug n LYS 115 Ca 0.00 0.21 0.10 0.00 -2.02 0.00 0.00 58.31 56.60 2oug n LYS 115 Cb 0.00 -1.42 0.41 0.00 -0.02 0.00 0.00 35.03 34.00 2oug n LYS 115 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2oug n VAL 116 N -4.41 0.86 0.10 -0.18 0.31 -1.26 0.16 118.33 113.90 2oug n VAL 116 Ca -0.20 0.21 0.02 0.00 -0.01 0.00 0.00 64.34 64.36 2oug n VAL 116 Cb 0.57 -1.04 -0.03 0.00 -0.91 0.00 0.00 33.84 32.42 2oug n VAL 116 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 2oug n ILE 117 N -1.89 0.00 0.08 2.52 5.41 -1.26 -4.06 119.36 120.16 2oug n ILE 117 Ca 0.03 -0.23 -0.07 0.00 1.00 0.00 0.00 62.75 63.48 2oug n ILE 117 Cb 0.22 0.65 -0.04 0.00 -0.71 0.00 0.00 39.64 39.76 2oug n ILE 117 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 2oug h ILE 118 N 0.00 0.29 0.28 1.39 2.04 -1.80 -3.16 117.51 116.55 2oug h ILE 118 Ca 0.00 -0.92 -0.01 0.00 1.00 0.00 0.00 64.86 64.93 2oug h ILE 118 Cb 0.17 0.51 0.00 0.00 -0.74 0.00 0.00 36.82 36.77 2oug h ILE 118 CO 0.00 0.08 -0.13 0.74 0.00 0.00 0.00 178.15 178.84 2oug h THR 119 N -1.03 0.75 0.00 -0.27 2.02 0.12 -2.12 112.91 112.39 2oug h THR 119 Ca -0.03 -0.61 0.00 0.00 0.77 0.00 0.00 66.41 66.54 2oug h THR 119 Cb 0.36 1.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.84 2oug h THR 119 CO 0.05 0.12 0.00 -0.62 0.37 0.00 0.00 175.52 175.44 2oug n GLU 120 N -5.11 0.02 -0.10 6.66 1.02 -1.26 -0.22 120.64 121.65 2oug n GLU 120 Ca -0.09 0.31 -0.16 0.00 -0.02 0.00 0.00 57.16 57.20 2oug n GLU 120 Cb 0.25 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.11 2oug n GLU 120 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2oug n GLY 121 N -0.46 -0.76 0.17 0.62 0.00 -1.17 -3.86 105.19 99.72 2oug n GLY 121 Ca 0.03 -0.09 -0.14 0.00 0.00 0.00 0.00 46.02 45.82 2oug n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oug h ALA 122 N -0.83 -0.34 -3.00 4.61 0.00 -1.24 -0.05 119.26 118.40 2oug h ALA 122 Ca -0.25 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2oug h ALA 122 Cb 1.06 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2oug h ALA 122 CO -0.15 -0.69 0.00 1.19 0.00 0.00 0.00 179.25 179.60 2oug n PHE 123 N -5.24 0.00 -0.30 0.00 3.01 0.69 -1.07 117.46 114.55 2oug n PHE 123 Ca -0.09 0.00 0.22 0.00 1.01 0.00 0.00 57.45 58.59 2oug n PHE 123 Cb 0.16 0.00 0.53 0.00 -0.01 0.00 0.00 39.48 40.16 2oug n PHE 123 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 2oug h GLU 124 N 0.00 0.36 0.14 -1.08 5.08 -1.69 -1.65 114.58 115.74 2oug h GLU 124 Ca 0.00 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2oug h GLU 124 Cb 0.00 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 2oug h GLU 124 CO 0.00 0.24 -0.10 0.78 -1.00 0.00 0.00 179.01 178.93 2oug h GLY 125 N 0.37 -0.23 2.00 -3.84 0.00 -0.72 -2.73 103.07 97.92 2oug h GLY 125 Ca 0.55 0.11 -0.11 0.00 0.00 0.00 0.00 47.33 47.88 2oug h GLY 125 CO -0.24 -0.10 -0.53 0.74 0.00 0.00 0.00 176.54 176.41 2oug h PHE 126 N -0.24 0.00 -0.54 5.60 -1.00 -0.16 -2.09 116.94 118.50 2oug h PHE 126 Ca -0.01 0.00 0.06 0.00 2.81 0.00 0.00 57.97 60.83 2oug h PHE 126 Cb 0.21 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 39.72 2oug h PHE 126 CO -0.10 0.53 0.25 1.96 -1.61 0.00 0.00 178.31 179.34 2oug h GLN 127 N 0.00 0.46 -0.39 1.51 4.20 -1.25 0.26 115.11 119.91 2oug h GLN 127 Ca -0.01 -0.03 -0.12 0.00 0.06 0.00 0.00 58.65 58.56 2oug h GLN 127 Cb 0.99 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.65 2oug h GLN 127 CO 0.07 0.31 -0.24 0.00 -0.67 0.00 0.00 178.83 178.30 2oug h ALA 128 N 1.32 0.85 -0.40 3.87 0.00 -1.22 -2.55 119.26 121.12 2oug h ALA 128 Ca 0.25 -0.38 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 2oug h ALA 128 Cb 0.21 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2oug h ALA 128 CO -0.20 0.64 -0.02 0.82 0.00 0.00 0.00 179.25 180.49 2oug h ILE 129 N 0.68 1.26 0.00 0.00 2.04 -0.68 -2.11 117.51 118.71 2oug h ILE 129 Ca 0.09 -1.04 0.00 0.00 1.00 0.00 0.00 64.86 64.91 2oug h ILE 129 Cb 0.76 1.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.98 2oug h ILE 129 CO 0.06 0.35 0.00 0.49 0.00 0.00 0.00 178.15 179.05 2oug n PHE 130 N -4.42 0.00 0.36 1.37 0.99 0.86 -2.52 117.46 114.10 2oug n PHE 130 Ca -0.01 0.00 0.04 0.00 -0.00 0.00 0.00 57.45 57.49 2oug n PHE 130 Cb 0.30 -0.09 -0.05 0.00 -1.00 0.00 0.00 39.48 38.64 2oug n PHE 130 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.76 179.17 2oug n THR 131 N -1.09 0.00 -2.45 4.37 -1.04 -0.97 -4.96 114.28 108.13 2oug n THR 131 Ca 0.15 -0.27 -0.43 0.00 -2.04 0.00 0.00 64.05 61.45 2oug n THR 131 Cb 0.11 0.89 -0.02 0.00 -1.82 0.00 0.00 70.33 69.49 2oug n THR 131 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 2oug s GLU 132 N -1.98 3.92 0.17 -2.82 -6.30 -0.83 -4.95 118.70 105.90 2oug s GLU 132 Ca 0.02 1.20 -0.25 0.00 -2.50 0.00 0.00 54.97 53.44 2oug s GLU 132 Cb 0.07 -3.86 0.04 0.00 0.00 0.00 0.00 34.13 30.37 2oug s GLU 132 CO 0.38 -1.11 1.58 -1.35 0.02 0.00 0.00 175.26 174.77 2oug h PRO 133 N 9.16 -0.25 -6.26 4.30 0.11 -1.92 -3.42 132.00 133.72 2oug h PRO 133 Ca -0.25 0.02 -0.66 0.00 0.11 0.00 0.00 66.00 65.21 2oug h PRO 133 Cb 1.09 0.06 -0.14 0.00 0.11 0.00 0.00 31.00 32.12 2oug h PRO 133 CO 1.04 -0.16 -0.67 0.16 -0.21 0.00 0.00 178.00 178.16 2oug s ASP 134 N -5.11 4.95 0.11 -2.05 1.47 -1.26 -5.03 116.67 109.75 2oug s ASP 134 Ca -0.14 -0.11 -0.17 0.00 1.18 0.00 0.00 52.55 53.30 2oug s ASP 134 Cb 0.13 -1.21 -0.04 0.00 -0.34 0.00 0.00 42.92 41.46 2oug s ASP 134 CO 0.66 0.24 1.63 1.23 0.68 0.00 0.00 175.17 179.62 2oug h GLY 135 N 4.06 0.53 -0.45 2.12 0.00 -1.82 -2.80 103.07 104.72 2oug h GLY 135 Ca -0.48 -0.31 0.32 0.00 0.00 0.00 0.00 47.33 46.85 2oug h GLY 135 CO 0.57 0.29 0.69 -2.09 0.00 0.00 0.00 176.54 176.01 2oug h GLU 136 N 0.36 0.31 0.00 4.80 4.57 -1.93 1.89 114.58 124.58 2oug h GLU 136 Ca 0.10 -0.02 -0.12 0.00 -1.18 0.00 0.00 59.36 58.14 2oug h GLU 136 Cb 0.25 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.75 2oug h GLU 136 CO -0.00 0.20 -0.59 0.00 -1.18 0.00 0.00 179.01 177.44 2oug h ALA 137 N 1.66 0.80 -0.21 2.92 0.00 -1.90 -3.06 119.26 119.47 2oug h ALA 137 Ca 0.68 -0.54 -0.19 0.00 0.00 0.00 0.00 54.91 54.86 2oug h ALA 137 Cb 1.78 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.48 2oug h ALA 137 CO -0.39 0.74 -0.62 0.00 0.00 0.00 0.00 179.25 178.98 2oug h ARG 138 N 0.00 0.71 -0.39 0.00 3.08 0.29 -2.66 114.38 115.41 2oug h ARG 138 Ca -0.01 -0.49 0.03 0.00 0.07 0.00 0.00 59.98 59.58 2oug h ARG 138 Cb 1.22 0.07 -0.03 0.00 0.08 0.00 0.00 29.97 31.31 2oug h ARG 138 CO 0.08 1.11 0.20 0.77 -1.07 0.00 0.00 179.97 181.06 2oug h SER 139 N 0.53 0.30 0.05 7.04 0.02 -0.24 0.41 113.55 121.65 2oug h SER 139 Ca -0.01 0.02 0.01 0.00 -0.84 0.00 0.00 61.79 60.97 2oug h SER 139 Cb 1.21 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.68 2oug h SER 139 CO 0.12 0.22 -0.12 0.24 -1.14 0.00 0.00 176.83 176.15 2oug h MET 140 N 0.41 -0.23 -0.95 3.45 2.86 -1.54 0.14 114.93 119.07 2oug h MET 140 Ca 0.16 0.02 0.14 0.00 -2.06 0.00 0.00 59.70 57.96 2oug h MET 140 Cb 0.06 0.05 -0.08 0.00 0.06 0.00 0.00 31.60 31.69 2oug h MET 140 CO -0.11 -0.15 0.61 -0.07 1.06 0.00 0.00 176.91 178.25 2oug h LEU 141 N -0.24 0.79 -0.06 1.22 3.38 -1.04 0.97 115.31 120.33 2oug h LEU 141 Ca 0.03 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 2oug h LEU 141 Cb 0.26 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 2oug h LEU 141 CO -0.09 0.40 0.01 0.25 0.09 0.00 0.00 178.44 179.10 2oug h LEU 142 N 0.83 0.09 -0.06 1.67 5.85 0.80 -1.24 115.31 123.25 2oug h LEU 142 Ca 0.48 -0.23 0.02 0.00 0.84 0.00 0.00 57.88 58.99 2oug h LEU 142 Cb 0.64 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 2oug h LEU 142 CO -0.25 0.30 -0.06 -0.07 -0.34 0.00 0.00 178.44 178.02 2oug h LEU 143 N -0.12 -0.17 -0.66 2.25 3.38 0.46 0.22 115.31 120.66 2oug h LEU 143 Ca 0.02 0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.07 2oug h LEU 143 Cb 0.24 0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.03 2oug h LEU 143 CO 0.00 -0.08 0.39 0.78 0.09 0.00 0.00 178.44 179.62 2oug h ASN 144 N -0.07 0.61 -0.25 -0.43 2.35 -0.82 0.23 115.58 117.20 2oug h ASN 144 Ca 0.04 0.02 -0.07 0.00 -0.55 0.00 0.00 56.30 55.74 2oug h ASN 144 Cb 0.14 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.38 2oug h ASN 144 CO -0.10 0.41 -0.05 0.25 -1.65 0.00 0.00 177.43 176.28 2oug h LEU 145 N 0.74 0.58 -0.11 1.61 5.85 -0.62 0.12 115.31 123.48 2oug h LEU 145 Ca 0.28 -0.14 -0.14 0.00 0.84 0.00 0.00 57.88 58.73 2oug h LEU 145 Cb 0.11 -0.15 0.01 0.00 0.37 0.00 0.00 40.66 40.99 2oug h LEU 145 CO -0.14 0.69 -0.47 0.40 -0.34 0.00 0.00 178.44 178.57 2oug h ILE 146 N 0.57 1.37 0.01 4.05 2.04 0.00 -0.80 117.51 124.76 2oug h ILE 146 Ca 0.11 -1.79 0.03 0.00 1.00 0.00 0.00 64.86 64.20 2oug h ILE 146 Cb 0.44 2.18 -0.03 0.00 -0.74 0.00 0.00 36.82 38.67 2oug h ILE 146 CO 0.02 0.54 -0.19 -1.13 0.00 0.00 0.00 178.15 177.39 2oug h ASN 147 N 0.10 -0.54 0.40 1.72 -0.73 -0.26 -0.85 115.58 115.42 2oug h ASN 147 Ca -0.03 0.08 -0.01 0.00 1.87 0.00 0.00 56.30 58.21 2oug h ASN 147 Cb 1.11 0.22 -0.03 0.00 0.27 0.00 0.00 38.32 39.89 2oug h ASN 147 CO 0.10 -0.25 -0.50 0.11 -0.37 0.00 0.00 177.43 176.52 2oug h LYS 148 N -0.31 -0.89 -0.90 6.67 1.57 -0.76 -2.17 116.57 119.77 2oug h LYS 148 Ca 0.05 0.06 0.23 0.00 -1.87 0.00 0.00 60.65 59.12 2oug h LYS 148 Cb 0.38 0.20 -0.13 0.00 0.08 0.00 0.00 32.23 32.76 2oug h LYS 148 CO -0.16 -0.60 0.38 0.93 -0.57 0.00 0.00 179.45 179.43 2oug h GLU 149 N -0.93 0.36 -0.28 3.15 4.39 -0.93 0.11 114.58 120.46 2oug h GLU 149 Ca -0.05 -0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.59 2oug h GLU 149 Cb 0.83 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.39 2oug h GLU 149 CO -0.11 0.24 0.01 0.82 -1.16 0.00 0.00 179.01 178.80 2oug h ILE 150 N 0.37 1.25 -0.98 3.13 5.03 -0.84 -1.26 117.51 124.21 2oug h ILE 150 Ca 0.57 -0.90 0.13 0.00 -0.12 0.00 0.00 64.86 64.54 2oug h ILE 150 Cb 1.10 1.30 -0.09 0.00 -3.03 0.00 0.00 36.82 36.10 2oug h ILE 150 CO -0.55 0.29 0.60 0.11 -0.68 0.00 0.00 178.15 177.92 2oug h LYS 151 N 0.28 0.88 -0.65 2.37 1.57 -0.37 0.30 116.57 120.95 2oug h LYS 151 Ca 0.08 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2oug h LYS 151 Cb 0.41 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.49 2oug h LYS 151 CO 0.01 0.58 0.39 1.25 -0.57 0.00 0.00 179.45 181.11 2oug h HIS 152 N 0.90 0.84 -0.32 -1.35 2.76 -0.76 -1.13 115.15 116.09 2oug h HIS 152 Ca 0.50 0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.61 2oug h HIS 152 Cb 0.57 -0.28 -0.01 0.00 1.55 0.00 0.00 27.41 29.24 2oug h HIS 152 CO -0.02 0.57 -0.07 1.03 -1.30 0.00 0.00 177.93 178.14 2oug h SER 153 N 0.89 0.62 0.00 3.26 0.87 0.74 -2.56 113.55 117.36 2oug h SER 153 Ca 0.23 -0.36 0.00 0.00 -1.23 0.00 0.00 61.79 60.44 2oug h SER 153 Cb -0.03 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 61.76 2oug h SER 153 CO -0.04 0.83 0.00 0.52 -0.53 0.00 0.00 176.83 177.61 2oug n VAL 154 N -4.46 0.00 0.33 2.23 0.31 -0.70 -3.46 118.33 112.59 2oug n VAL 154 Ca -0.02 1.13 0.12 0.00 -0.01 0.00 0.00 64.34 65.55 2oug n VAL 154 Cb 0.32 -2.06 0.61 0.00 -0.91 0.00 0.00 33.84 31.80 2oug n VAL 154 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 2oug h LYS 155 N 0.00 0.00 0.00 5.55 1.57 -1.37 -3.52 116.57 118.81 2oug h LYS 155 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2oug h LYS 155 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2oug h LYS 155 CO 0.00 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 178.97