#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 0.17 0.42 1.08 1.04 -0.96 -4.94 113.70 110.51 2oug s SER 3 Ca 0.00 -1.00 -0.08 0.00 0.48 0.00 0.00 55.95 55.35 2oug s SER 3 Cb 0.00 0.37 -0.05 0.00 0.10 0.00 0.00 66.02 66.44 2oug s SER 3 CO 0.00 -0.81 0.76 0.26 0.98 0.00 0.00 173.24 174.43 2oug s TRP 4 N -3.99 3.51 0.08 5.02 0.52 -1.26 -2.51 118.94 120.31 2oug s TRP 4 Ca 0.19 0.93 -0.06 0.00 0.02 0.00 0.00 56.10 57.17 2oug s TRP 4 Cb 0.05 -2.36 -0.01 0.00 -1.15 0.00 0.00 33.47 29.99 2oug s TRP 4 CO -0.00 -0.15 0.12 0.71 0.02 0.00 0.00 176.95 177.65 2oug s TYR 5 N -2.48 0.28 -0.20 -1.98 1.51 0.31 -2.95 117.35 111.83 2oug s TYR 5 Ca 0.49 -0.75 -0.00 0.00 -1.01 0.00 0.00 57.07 55.80 2oug s TYR 5 Cb -0.10 -0.17 0.02 0.00 -0.11 0.00 0.00 41.96 41.59 2oug s TYR 5 CO 0.36 -0.49 -0.15 -0.51 -1.11 0.00 0.00 175.55 173.65 2oug s LEU 6 N -2.88 2.47 0.17 -1.29 1.43 -1.26 0.02 118.68 117.33 2oug s LEU 6 Ca 0.06 -0.66 0.06 0.00 -1.03 0.00 0.00 54.13 52.55 2oug s LEU 6 Cb 0.06 -1.55 -0.04 0.00 0.03 0.00 0.00 46.19 44.69 2oug s LEU 6 CO -0.11 -0.03 0.11 -0.76 0.23 0.00 0.00 176.35 175.80 2oug s LEU 7 N 1.32 3.70 -0.06 1.79 1.43 -0.31 -1.16 118.68 125.39 2oug s LEU 7 Ca 0.04 -0.20 0.05 0.00 -1.03 0.00 0.00 54.13 52.99 2oug s LEU 7 Cb -0.14 -2.31 -0.02 0.00 0.03 0.00 0.00 46.19 43.75 2oug s LEU 7 CO -0.10 0.07 -0.20 -0.47 0.23 0.00 0.00 176.35 175.88 2oug s TYR 8 N -1.77 2.56 0.13 0.29 5.04 0.68 -1.35 117.35 122.93 2oug s TYR 8 Ca 0.30 -0.53 0.07 0.00 -2.44 0.00 0.00 57.07 54.48 2oug s TYR 8 Cb -0.10 -1.64 -0.04 0.00 0.35 0.00 0.00 41.96 40.53 2oug s TYR 8 CO 0.22 -0.09 -0.07 0.00 -1.34 0.00 0.00 175.55 174.27 2oug n LYS 10 N 0.42 -0.87 -0.07 0.00 5.02 0.22 -4.81 118.16 118.07 2oug n LYS 10 Ca -0.12 -0.20 -0.00 0.00 -2.02 0.00 0.00 58.31 55.97 2oug n LYS 10 Cb 0.53 -2.30 0.01 0.00 -0.02 0.00 0.00 35.03 33.25 2oug n LYS 10 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 2oug n ARG 11 N -4.25 -0.04 -0.43 1.97 3.00 -1.26 -2.27 116.66 113.38 2oug n ARG 11 Ca 0.10 0.27 0.03 0.00 -0.00 0.00 0.00 57.85 58.24 2oug n ARG 11 Cb 0.53 -0.40 0.04 0.00 0.00 0.00 0.00 32.46 32.63 2oug n ARG 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2oug n GLY 12 N -1.08 1.70 1.15 5.14 0.00 -1.26 -4.84 105.19 106.01 2oug n GLY 12 Ca 0.02 -0.34 0.11 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.36 2.60 -0.08 1.61 6.02 -0.96 -4.58 117.38 121.63 2oug n GLN 13 Ca 0.05 -2.40 -0.08 0.00 -0.01 0.00 0.00 57.00 54.55 2oug n GLN 13 Cb 0.70 -1.49 -0.01 0.00 1.02 0.00 0.00 30.24 30.46 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 3.92 0.19 -0.04 1.08 6.46 -1.85 0.18 115.31 125.26 2oug h LEU 14 Ca 0.00 0.02 0.01 0.00 -0.12 0.00 0.00 57.88 57.79 2oug h LEU 14 Cb 0.93 -0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.83 2oug h LEU 14 CO 0.00 0.15 -0.03 -0.61 -0.62 0.00 0.00 178.44 177.33 2oug h GLN 15 N 0.29 -0.04 -0.23 1.25 5.75 -1.97 0.59 115.11 120.75 2oug h GLN 15 Ca 0.12 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.62 2oug h GLN 15 Cb 0.05 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.60 2oug h GLN 15 CO -0.09 -0.03 0.14 0.00 -2.65 0.00 0.00 178.83 176.20 2oug h ARG 16 N -0.04 0.31 -0.82 1.69 2.47 -1.81 -2.60 114.38 113.59 2oug h ARG 16 Ca 0.03 -0.03 0.01 0.00 -1.26 0.00 0.00 59.98 58.73 2oug h ARG 16 Cb 0.08 -0.07 -0.04 0.00 -1.65 0.00 0.00 29.97 28.29 2oug h ARG 16 CO -0.06 0.26 0.54 0.00 0.56 0.00 0.00 179.97 181.27 2oug h ALA 17 N 1.04 1.04 -0.79 0.04 0.00 -0.36 -2.46 119.26 117.77 2oug h ALA 17 Ca 0.08 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.96 2oug h ALA 17 Cb 0.03 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.45 2oug h ALA 17 CO -0.02 0.43 0.51 0.37 0.00 0.00 0.00 179.25 180.55 2oug h GLN 18 N 1.09 1.00 -0.63 0.00 4.15 -0.71 -1.38 115.11 118.64 2oug h GLN 18 Ca 0.30 -0.06 -0.03 0.00 0.77 0.00 0.00 58.65 59.63 2oug h GLN 18 Cb -0.11 -0.23 -0.03 0.00 0.21 0.00 0.00 27.48 27.33 2oug h GLN 18 CO -0.07 0.66 0.27 0.93 -1.93 0.00 0.00 178.83 178.70 2oug h GLU 19 N 1.03 0.90 0.12 1.69 4.39 -1.07 -2.08 114.58 119.57 2oug h GLU 19 Ca 0.30 -0.13 -0.01 0.00 0.34 0.00 0.00 59.36 59.86 2oug h GLU 19 Cb -0.07 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 28.41 2oug h GLU 19 CO -0.08 0.72 -0.06 1.25 -1.16 0.00 0.00 179.01 179.68 2oug h HIS 20 N 0.89 -0.16 0.00 4.33 2.76 -0.90 -0.04 115.15 122.04 2oug h HIS 20 Ca 0.22 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.38 2oug h HIS 20 Cb 0.14 0.05 0.00 0.00 1.55 0.00 0.00 27.41 29.15 2oug h HIS 20 CO 0.01 0.19 0.00 -0.07 -1.30 0.00 0.00 177.93 176.76 2oug h LEU 21 N -0.52 0.00 0.03 0.26 3.38 -1.07 0.78 115.31 118.17 2oug h LEU 21 Ca -0.02 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.61 2oug h LEU 21 Cb 0.41 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.11 2oug h LEU 21 CO 0.03 0.00 -2.10 -0.62 0.09 0.00 0.00 178.44 175.84 2oug n GLU 22 N -2.39 0.68 -0.15 1.13 1.02 -0.80 -0.83 120.64 119.30 2oug n GLU 22 Ca -0.02 0.18 -0.04 0.00 -0.02 0.00 0.00 57.16 57.27 2oug n GLU 22 Cb 0.05 -1.65 0.16 0.00 -0.02 0.00 0.00 31.44 29.98 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 0.02 0.89 -7.47 3.49 2.47 0.35 -3.40 114.38 110.72 2oug h ARG 23 Ca -0.44 -0.19 -0.49 0.00 -1.26 0.00 0.00 59.98 57.60 2oug h ARG 23 Cb 2.06 -0.13 0.09 0.00 -1.65 0.00 0.00 29.97 30.34 2oug h ARG 23 CO 0.04 0.80 0.40 -0.65 0.56 0.00 0.00 179.97 181.11 2oug s GLN 24 N -5.21 2.60 0.00 0.04 -0.21 0.13 -4.94 119.66 112.07 2oug s GLN 24 Ca -0.10 0.47 0.05 0.00 0.02 0.00 0.00 55.36 55.80 2oug s GLN 24 Cb 0.15 -1.99 0.28 0.00 1.00 0.00 0.00 33.01 32.45 2oug s GLN 24 CO 0.81 -1.22 0.66 0.00 -2.12 0.00 0.00 175.29 173.42 2oug n ALA 25 N -3.14 1.87 -1.80 6.09 0.00 -1.26 -4.77 120.51 117.51 2oug n ALA 25 Ca 0.07 -0.03 -0.35 0.00 0.00 0.00 0.00 53.44 53.13 2oug n ALA 25 Cb 0.57 -1.08 -0.06 0.00 0.00 0.00 0.00 19.45 18.89 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 -2.00 4.11 -0.23 0.00 1.01 -0.01 -4.99 120.40 118.29 2oug s VAL 26 Ca 0.07 1.53 -0.09 0.00 0.00 0.00 0.00 61.98 63.49 2oug s VAL 26 Cb 0.03 -3.75 -0.05 0.00 0.00 0.00 0.00 36.38 32.62 2oug s VAL 26 CO 0.05 -0.07 0.13 0.20 0.00 0.00 0.00 175.10 175.41 2oug s ASN 27 N -1.82 5.87 0.21 3.32 0.01 -1.11 -3.91 114.94 117.52 2oug s ASN 27 Ca 0.57 0.05 0.07 0.00 -0.71 0.00 0.00 52.86 52.84 2oug s ASN 27 Cb -0.16 -2.05 -0.04 0.00 0.41 0.00 0.00 41.25 39.41 2oug s ASN 27 CO 0.21 0.06 0.08 0.00 -1.51 0.00 0.00 177.10 175.94 2oug s LEU 29 N -3.38 -0.77 -0.59 0.00 0.20 -0.84 -4.96 118.68 108.34 2oug s LEU 29 Ca 0.31 -0.24 0.01 0.00 0.69 0.00 0.00 54.13 54.89 2oug s LEU 29 Cb -0.08 1.13 0.15 0.00 -0.43 0.00 0.00 46.19 46.95 2oug s LEU 29 CO 0.22 -0.34 0.37 0.00 -0.29 0.00 0.00 176.35 176.31 2oug s ALA 30 N 2.55 3.49 0.69 5.97 0.00 -1.26 -2.36 121.76 130.84 2oug s ALA 30 Ca 0.10 -3.34 -0.17 0.00 0.00 0.00 0.00 51.96 48.56 2oug s ALA 30 Cb -0.13 -2.40 0.01 0.00 0.00 0.00 0.00 23.12 20.61 2oug s ALA 30 CO -0.27 -2.07 1.26 -2.14 0.00 0.00 0.00 175.76 172.54 2oug s PRO 31 N -0.33 2.31 0.19 0.00 0.02 -1.26 -4.92 135.00 131.02 2oug s PRO 31 Ca 0.18 1.96 0.11 0.00 0.02 0.00 0.00 61.00 63.27 2oug s PRO 31 Cb -0.22 -1.83 -0.04 0.00 0.02 0.00 0.00 34.50 32.43 2oug s PRO 31 CO -0.03 -1.75 -0.24 -1.64 -0.33 0.00 0.00 177.00 173.01 2oug s MET 32 N -3.60 1.52 -0.03 5.54 -1.94 -1.26 -1.37 119.30 118.16 2oug s MET 32 Ca 0.80 -1.53 0.05 0.00 -1.71 0.00 0.00 55.69 53.30 2oug s MET 32 Cb -0.34 -1.84 -0.01 0.00 2.01 0.00 0.00 34.83 34.64 2oug s MET 32 CO 0.42 0.40 -0.18 -1.50 -0.01 0.00 0.00 175.02 174.15 2oug s ILE 33 N -1.69 1.46 -0.35 2.53 -1.16 0.28 -4.64 121.20 117.64 2oug s ILE 33 Ca 0.21 -0.77 -0.14 0.00 -0.51 0.00 0.00 60.65 59.44 2oug s ILE 33 Cb -0.08 -1.23 -0.01 0.00 0.61 0.00 0.00 42.46 41.75 2oug s ILE 33 CO 0.10 0.42 0.30 0.42 -2.81 0.00 0.00 174.94 173.37 2oug s THR 34 N -0.26 5.23 0.09 4.00 -4.23 -1.26 -0.56 115.64 118.65 2oug s THR 34 Ca 0.03 -0.16 0.02 0.00 -1.18 0.00 0.00 61.69 60.40 2oug s THR 34 Cb -0.09 -3.79 -0.04 0.00 1.34 0.00 0.00 72.50 69.92 2oug s THR 34 CO 0.00 -0.09 -0.07 -0.76 -0.54 0.00 0.00 174.62 173.17 2oug s LEU 35 N 1.86 2.48 -0.64 4.79 1.43 0.20 -4.92 118.68 123.89 2oug s LEU 35 Ca 0.09 -0.96 -0.20 0.00 -1.03 0.00 0.00 54.13 52.03 2oug s LEU 35 Cb -0.17 -0.08 0.09 0.00 0.03 0.00 0.00 46.19 46.06 2oug s LEU 35 CO 0.11 -0.44 0.84 -0.70 0.23 0.00 0.00 176.35 176.39 2oug s GLU 36 N -3.59 3.10 0.25 1.70 2.12 -1.26 -0.29 118.70 120.74 2oug s GLU 36 Ca 0.09 -1.14 0.11 0.00 0.36 0.00 0.00 54.97 54.39 2oug s GLU 36 Cb 0.04 -4.28 -0.05 0.00 0.26 0.00 0.00 34.13 30.10 2oug s GLU 36 CO -0.04 -1.67 -0.18 0.21 -0.54 0.00 0.00 175.26 173.04 2oug s LYS 37 N 3.26 1.75 -0.45 4.30 2.20 -1.12 -4.96 119.74 124.73 2oug s LYS 37 Ca 0.17 -1.64 -0.26 0.00 -0.36 0.00 0.00 55.97 53.88 2oug s LYS 37 Cb -0.20 -1.86 0.03 0.00 -1.51 0.00 0.00 37.83 34.28 2oug s LYS 37 CO 0.07 0.36 0.97 0.42 -0.36 0.00 0.00 175.35 176.81 2oug s ILE 38 N -2.26 4.43 0.00 5.43 1.01 -1.26 -2.10 121.20 126.45 2oug s ILE 38 Ca 0.28 0.93 0.00 0.00 0.00 0.00 0.00 60.65 61.86 2oug s ILE 38 Cb -0.06 -4.46 0.00 0.00 0.01 0.00 0.00 42.46 37.95 2oug s ILE 38 CO 0.15 -0.82 0.00 0.52 0.00 0.00 0.00 174.94 174.78 2oug n VAL 39 N 6.44 0.00 -3.42 2.92 0.31 -0.53 -4.82 118.33 119.24 2oug n VAL 39 Ca 0.08 0.31 -0.26 0.00 -0.01 0.00 0.00 64.34 64.46 2oug n VAL 39 Cb 0.49 -1.04 -0.09 0.00 -0.91 0.00 0.00 33.84 32.29 2oug n VAL 39 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2oug n ARG 40 N -1.62 1.05 0.00 5.55 1.74 -1.26 -4.83 116.66 117.29 2oug n ARG 40 Ca 0.00 -3.68 0.00 0.00 -0.77 0.00 0.00 57.85 53.40 2oug n ARG 40 Cb 0.00 -1.73 0.00 0.00 -1.02 0.00 0.00 32.46 29.71 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 1.87 1.91 3.92 -0.13 0.00 -1.26 -4.94 105.19 106.56 2oug n GLY 41 Ca 0.25 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.99 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 0.00 3.53 -1.17 1.61 1.02 -1.26 -5.02 119.74 118.45 2oug s LYS 42 Ca 0.00 -0.31 -0.06 0.00 0.02 0.00 0.00 55.97 55.62 2oug s LYS 42 Cb 0.00 -2.86 0.25 0.00 -0.52 0.00 0.00 37.83 34.70 2oug s LYS 42 CO 0.00 0.43 1.66 -2.13 -0.92 0.00 0.00 175.35 174.40 2oug n ARG 43 N -0.43 4.12 -2.96 1.68 0.63 -1.26 -1.45 116.66 116.99 2oug n ARG 43 Ca -0.04 -4.10 -0.40 0.00 -0.92 0.00 0.00 57.85 52.38 2oug n ARG 43 Cb 0.53 -2.69 -0.05 0.00 0.45 0.00 0.00 32.46 30.70 2oug n ARG 43 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 2oug s THR 44 N -1.43 4.65 0.37 5.15 2.01 -0.89 -4.75 115.64 120.75 2oug s THR 44 Ca 0.35 1.68 -0.28 0.00 0.31 0.00 0.00 61.69 63.75 2oug s THR 44 Cb 0.07 -4.14 -0.10 0.00 0.01 0.00 0.00 72.50 68.35 2oug s THR 44 CO 0.06 0.39 1.35 0.00 -0.69 0.00 0.00 174.62 175.73 2oug s ALA 45 N -0.24 3.43 0.08 7.40 0.00 -1.26 -2.78 121.76 128.38 2oug s ALA 45 Ca 0.39 1.33 -0.02 0.00 0.00 0.00 0.00 51.96 53.65 2oug s ALA 45 Cb -0.21 -3.51 -0.03 0.00 0.00 0.00 0.00 23.12 19.36 2oug s ALA 45 CO 0.24 -0.82 0.03 0.08 0.00 0.00 0.00 175.76 175.29 2oug s VAL 46 N -1.18 0.18 -0.18 0.00 1.01 0.61 -4.94 120.40 115.90 2oug s VAL 46 Ca 0.53 -1.73 0.00 0.00 0.00 0.00 0.00 61.98 60.78 2oug s VAL 46 Cb -0.41 -1.61 0.04 0.00 0.00 0.00 0.00 36.38 34.39 2oug s VAL 46 CO 0.54 -0.82 -0.09 -0.55 0.00 0.00 0.00 175.10 174.18 2oug s SER 47 N -2.94 3.05 0.35 3.32 0.15 -1.26 0.62 113.70 117.00 2oug s SER 47 Ca 0.11 -0.73 0.05 0.00 0.70 0.00 0.00 55.95 56.08 2oug s SER 47 Cb 0.07 -1.11 -0.07 0.00 -1.71 0.00 0.00 66.02 63.20 2oug s SER 47 CO -0.07 -0.14 0.03 -1.61 1.20 0.00 0.00 173.24 172.64 2oug s GLU 48 N 1.50 1.75 0.22 5.44 2.02 0.28 -4.87 118.70 125.03 2oug s GLU 48 Ca 0.01 -1.97 -0.31 0.00 0.02 0.00 0.00 54.97 52.72 2oug s GLU 48 Cb -0.15 -1.18 -0.11 0.00 0.10 0.00 0.00 34.13 32.79 2oug s GLU 48 CO -0.08 -0.11 1.66 -2.14 0.02 0.00 0.00 175.26 174.61 2oug s PRO 49 N -3.81 4.15 0.14 0.39 0.02 -1.26 0.10 135.00 134.73 2oug s PRO 49 Ca 0.35 2.54 -0.23 0.00 0.02 0.00 0.00 61.00 63.69 2oug s PRO 49 Cb 0.08 -3.08 -0.01 0.00 0.02 0.00 0.00 34.50 31.51 2oug s PRO 49 CO 0.16 -0.69 1.65 1.25 -0.33 0.00 0.00 177.00 179.04 2oug h LEU 50 N 6.39 -0.63 -6.96 -5.54 6.46 -1.48 -3.34 115.31 110.20 2oug h LEU 50 Ca -0.44 0.11 -0.60 0.00 -0.12 0.00 0.00 57.88 56.83 2oug h LEU 50 Cb 1.21 0.29 -0.40 0.00 -0.73 0.00 0.00 40.66 41.03 2oug h LEU 50 CO 0.91 -0.25 -0.76 -0.36 -0.62 0.00 0.00 178.44 177.36 2oug s PHE 51 N -6.11 1.70 0.00 1.25 0.40 -1.26 -4.39 117.98 109.56 2oug s PHE 51 Ca -0.15 -2.11 0.00 0.00 -0.60 0.00 0.00 56.93 54.07 2oug s PHE 51 Cb 0.11 -1.68 0.00 0.00 0.51 0.00 0.00 43.02 41.96 2oug s PHE 51 CO 0.67 -0.82 0.00 -2.30 0.70 0.00 0.00 175.22 173.48 2oug n PRO 52 N 3.97 0.00 0.00 0.24 -0.02 -1.26 -2.19 135.00 135.74 2oug n PRO 52 Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 2oug n PRO 52 Cb 0.37 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.85 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 0.00 -4.87 2.55 4.13 -1.26 -4.79 115.26 111.01 2oug n ASN 53 Ca 0.00 0.00 -0.32 0.00 1.68 0.00 0.00 54.58 55.94 2oug n ASN 53 Cb 0.00 0.00 -0.05 0.00 -1.54 0.00 0.00 39.78 38.19 2oug n ASN 53 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 2oug s TYR 54 N -1.37 3.42 -0.12 3.10 1.51 -0.93 -1.07 117.35 121.88 2oug s TYR 54 Ca 0.00 0.94 -0.04 0.00 -1.01 0.00 0.00 57.07 56.96 2oug s TYR 54 Cb 0.00 -2.31 0.06 0.00 -0.11 0.00 0.00 41.96 39.59 2oug s TYR 54 CO 0.00 0.21 0.15 -1.17 -1.11 0.00 0.00 175.55 173.64 2oug s LEU 55 N -2.94 0.00 0.31 -1.29 2.96 -0.45 -4.73 118.68 112.53 2oug s LEU 55 Ca 0.49 0.04 -0.28 0.00 -0.22 0.00 0.00 54.13 54.16 2oug s LEU 55 Cb -0.11 0.18 -0.09 0.00 0.50 0.00 0.00 46.19 46.67 2oug s LEU 55 CO 0.21 -0.28 1.10 -0.36 -1.32 0.00 0.00 176.35 175.70 2oug s PHE 56 N 2.27 3.49 -0.03 5.38 0.40 -1.00 -1.16 117.98 127.32 2oug s PHE 56 Ca 0.04 1.68 0.02 0.00 -0.60 0.00 0.00 56.93 58.06 2oug s PHE 56 Cb -0.13 -3.27 0.01 0.00 0.51 0.00 0.00 43.02 40.13 2oug s PHE 56 CO -0.07 -0.63 -0.06 0.08 0.70 0.00 0.00 175.22 175.23 2oug s VAL 57 N -1.26 0.56 -0.25 -0.44 1.01 0.10 -1.98 120.40 118.14 2oug s VAL 57 Ca 0.48 -0.20 0.01 0.00 0.00 0.00 0.00 61.98 62.26 2oug s VAL 57 Cb -0.30 -0.53 0.05 0.00 0.00 0.00 0.00 36.38 35.59 2oug s VAL 57 CO 0.39 0.20 -0.10 -0.70 0.00 0.00 0.00 175.10 174.89 2oug s GLU 58 N 0.46 2.48 0.28 2.72 2.12 -0.41 0.11 118.70 126.46 2oug s GLU 58 Ca -0.06 -1.20 -0.12 0.00 0.36 0.00 0.00 54.97 53.95 2oug s GLU 58 Cb -0.10 -2.90 0.00 0.00 0.26 0.00 0.00 34.13 31.39 2oug s GLU 58 CO 0.00 -0.50 0.52 -0.59 -0.54 0.00 0.00 175.26 174.16 2oug s PHE 59 N 1.19 0.41 -0.28 5.30 -0.71 -1.04 -2.75 117.98 120.09 2oug s PHE 59 Ca -0.05 -0.78 -0.08 0.00 -1.04 0.00 0.00 56.93 54.98 2oug s PHE 59 Cb -0.18 0.24 -0.01 0.00 -1.21 0.00 0.00 43.02 41.86 2oug s PHE 59 CO -0.05 -1.08 0.10 0.34 -1.34 0.00 0.00 175.22 173.18 2oug s ASP 60 N -3.05 5.29 0.38 1.98 3.68 -1.26 -2.27 116.67 121.42 2oug s ASP 60 Ca 0.22 -0.43 0.19 0.00 2.13 0.00 0.00 52.55 54.66 2oug s ASP 60 Cb -0.01 -1.94 1.17 0.00 -1.45 0.00 0.00 42.92 40.68 2oug s ASP 60 CO 0.11 -0.13 1.68 -0.65 0.13 0.00 0.00 175.17 176.31 2oug h PRO 61 N 8.28 0.28 0.04 4.34 0.11 -1.96 0.76 132.00 143.85 2oug h PRO 61 Ca -0.35 -0.02 -0.22 0.00 0.11 0.00 0.00 66.00 65.53 2oug h PRO 61 Cb 1.15 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 2oug h PRO 61 CO 0.60 0.19 -1.01 0.93 -0.21 0.00 0.00 178.00 178.49 2oug h GLU 62 N 0.29 0.14 0.00 1.05 5.08 -1.99 -2.90 114.58 116.26 2oug h GLU 62 Ca 0.72 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.88 2oug h GLU 62 Cb 1.84 0.07 0.00 0.00 0.50 0.00 0.00 28.75 31.16 2oug h GLU 62 CO -0.49 1.03 -0.96 0.28 -1.00 0.00 0.00 179.01 177.88 2oug n VAL 63 N -3.52 0.33 -3.15 3.13 0.31 0.13 -4.73 118.33 110.83 2oug n VAL 63 Ca -0.04 -0.34 0.04 0.00 -0.01 0.00 0.00 64.34 63.99 2oug n VAL 63 Cb 0.91 -0.04 -0.00 0.00 -0.91 0.00 0.00 33.84 33.79 2oug n VAL 63 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 2oug s ILE 64 N -3.25 -0.98 0.30 2.52 1.01 0.22 -4.95 121.20 116.07 2oug s ILE 64 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 60.65 60.68 2oug s ILE 64 Cb 0.13 -0.99 -0.04 0.00 0.01 0.00 0.00 42.46 41.58 2oug s ILE 64 CO 0.78 0.00 0.50 -1.38 0.00 0.00 0.00 174.94 174.84 2oug s HIS 65 N 2.85 3.49 0.00 3.97 -3.43 -1.10 -3.67 115.29 117.40 2oug s HIS 65 Ca 0.15 0.32 0.00 0.00 -0.80 0.00 0.00 55.06 54.73 2oug s HIS 65 Cb -0.12 -1.86 0.00 0.00 -1.43 0.00 0.00 32.58 29.17 2oug s HIS 65 CO -0.24 0.21 0.00 2.41 -2.00 0.00 0.00 174.74 175.12 2oug n THR 66 N -1.48 0.00 -0.01 -5.38 -1.04 -1.26 -1.27 114.28 103.84 2oug n THR 66 Ca -0.05 0.00 -0.00 0.00 -2.04 0.00 0.00 64.05 61.96 2oug n THR 66 Cb 0.56 0.00 -0.00 0.00 -1.82 0.00 0.00 70.33 69.06 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 -2.11 -0.01 -0.14 12.58 -1.04 -1.26 -0.49 114.28 121.79 2oug n THR 67 Ca 0.00 0.26 -0.09 0.00 -2.04 0.00 0.00 64.05 62.19 2oug n THR 67 Cb 0.00 -0.35 -0.00 0.00 -1.82 0.00 0.00 70.33 68.16 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 1.19 -0.63 12.58 2.02 -1.57 -2.90 112.91 123.61 2oug h THR 68 Ca 0.00 -0.55 0.13 0.00 0.77 0.00 0.00 66.41 66.76 2oug h THR 68 Cb 0.01 0.77 -0.04 0.00 -1.74 0.00 0.00 68.15 67.15 2oug h THR 68 CO -0.02 0.21 0.43 0.40 0.37 0.00 0.00 175.52 176.90 2oug h ILE 69 N 0.54 0.82 -0.56 3.11 2.04 -0.85 -0.47 117.51 122.14 2oug h ILE 69 Ca 0.14 -0.11 -0.08 0.00 1.00 0.00 0.00 64.86 65.82 2oug h ILE 69 Cb 0.15 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 2oug h ILE 69 CO -0.02 0.06 0.04 0.78 0.00 0.00 0.00 178.15 179.01 2oug h ASN 70 N 0.31 0.94 -0.28 1.72 2.35 -1.22 -2.51 115.58 116.88 2oug h ASN 70 Ca 0.30 -0.29 0.08 0.00 -0.55 0.00 0.00 56.30 55.84 2oug h ASN 70 Cb 0.76 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.86 2oug h ASN 70 CO -0.07 0.99 0.23 0.00 -1.65 0.00 0.00 177.43 176.93 2oug h ALA 71 N 0.98 2.13 -1.16 -0.83 0.00 -1.05 -3.40 119.26 115.94 2oug h ALA 71 Ca 0.16 -0.01 -0.77 0.00 0.00 0.00 0.00 54.91 54.30 2oug h ALA 71 Cb 0.49 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2oug h ALA 71 CO 0.02 -0.37 0.98 2.41 0.00 0.00 0.00 179.25 182.28 2oug n THR 72 N -4.21 0.18 -1.68 0.00 -1.04 -0.95 -4.74 114.28 101.84 2oug n THR 72 Ca 0.04 -0.06 -0.50 0.00 -2.04 0.00 0.00 64.05 61.49 2oug n THR 72 Cb 0.39 -1.02 -0.05 0.00 -1.82 0.00 0.00 70.33 67.83 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 5.71 1.91 0.00 -2.82 1.74 -1.26 -1.50 116.66 120.43 2oug n ARG 73 Ca 0.33 0.70 0.00 0.00 -0.77 0.00 0.00 57.85 58.11 2oug n ARG 73 Cb 0.08 -2.49 0.00 0.00 -1.02 0.00 0.00 32.46 29.03 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 4.14 2.48 3.61 -0.13 0.00 -1.26 -3.94 105.19 110.08 2oug n GLY 74 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.36 4.83 -0.12 1.61 1.01 -0.56 -0.61 120.40 124.19 2oug s VAL 75 Ca 0.00 1.14 -0.11 0.00 0.00 0.00 0.00 61.98 63.00 2oug s VAL 75 Cb 0.00 -4.11 -0.26 0.00 0.00 0.00 0.00 36.38 32.01 2oug s VAL 75 CO 0.00 -0.21 0.42 0.77 0.00 0.00 0.00 175.10 176.08 2oug h SER 76 N 8.10 0.37 -5.17 3.32 4.64 -1.60 -3.46 113.55 119.75 2oug h SER 76 Ca -0.25 -0.87 0.23 0.00 -0.47 0.00 0.00 61.79 60.43 2oug h SER 76 Cb 1.10 -0.12 -0.12 0.00 -0.31 0.00 0.00 62.40 62.95 2oug h SER 76 CO 0.86 1.75 0.65 -1.38 -0.87 0.00 0.00 176.83 177.85 2oug s HIS 77 N -2.52 -0.14 0.19 4.77 -3.43 -1.13 -5.00 115.29 108.03 2oug s HIS 77 Ca -0.22 -0.03 -0.01 0.00 -0.80 0.00 0.00 55.06 54.00 2oug s HIS 77 Cb 0.06 0.57 -0.04 0.00 -1.43 0.00 0.00 32.58 31.74 2oug s HIS 77 CO 0.75 -0.49 0.38 -0.06 -2.00 0.00 0.00 174.74 173.32 2oug s PHE 78 N -2.83 3.48 0.33 0.38 0.40 -1.26 -0.23 117.98 118.24 2oug s PHE 78 Ca 0.11 0.37 -0.21 0.00 -0.60 0.00 0.00 56.93 56.60 2oug s PHE 78 Cb 0.01 -1.87 -0.10 0.00 0.51 0.00 0.00 43.02 41.57 2oug s PHE 78 CO -0.03 0.39 0.85 0.08 0.70 0.00 0.00 175.22 177.21 2oug s VAL 79 N -1.83 4.44 -0.02 -0.44 1.01 -0.31 -4.93 120.40 118.31 2oug s VAL 79 Ca 0.39 1.43 0.04 0.00 0.00 0.00 0.00 61.98 63.84 2oug s VAL 79 Cb -0.11 -3.78 -0.01 0.00 0.00 0.00 0.00 36.38 32.48 2oug s VAL 79 CO 0.28 -0.04 -0.15 -0.13 0.00 0.00 0.00 175.10 175.06 2oug s ARG 80 N -2.54 1.40 0.00 2.72 0.52 -1.26 0.26 118.95 120.05 2oug s ARG 80 Ca 0.53 -0.54 0.00 0.00 -0.52 0.00 0.00 55.73 55.19 2oug s ARG 80 Cb -0.14 -1.29 0.00 0.00 0.52 0.00 0.00 34.95 34.04 2oug s ARG 80 CO 0.19 0.28 0.00 0.34 0.02 0.00 0.00 175.30 176.12 2oug n PHE 81 N 2.93 0.00 -1.83 -0.53 7.35 -1.20 -4.63 117.46 119.56 2oug n PHE 81 Ca -0.16 0.00 -0.42 0.00 -0.76 0.00 0.00 57.45 56.11 2oug n PHE 81 Cb 0.54 -0.01 -0.03 0.00 0.35 0.00 0.00 39.48 40.33 2oug n PHE 81 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 2oug s GLY 82 N -1.14 0.49 0.10 7.13 0.00 -1.26 -4.81 107.32 107.84 2oug s GLY 82 Ca 0.00 0.30 -0.08 0.00 0.00 0.00 0.00 44.72 44.94 2oug s GLY 82 CO 0.00 3.56 0.69 0.00 0.00 0.00 0.00 173.10 177.35 2oug n ALA 83 N 11.66 -0.05 0.16 3.20 0.00 -1.26 0.24 120.51 134.45 2oug n ALA 83 Ca 0.26 0.45 -0.10 0.00 0.00 0.00 0.00 53.44 54.06 2oug n ALA 83 Cb 0.48 -0.20 -0.05 0.00 0.00 0.00 0.00 19.45 19.67 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 -0.73 -3.30 0.00 0.87 -1.96 -3.44 113.55 104.99 2oug h SER 84 Ca 0.16 0.06 -0.58 0.00 -1.23 0.00 0.00 61.79 60.20 2oug h SER 84 Cb 0.27 0.24 0.15 0.00 -0.44 0.00 0.00 62.40 62.62 2oug h SER 84 CO -0.44 -0.35 0.09 -2.65 -0.53 0.00 0.00 176.83 172.95 2oug n PRO 85 N -3.96 1.08 -2.92 2.24 -0.02 0.14 -4.97 135.00 126.58 2oug n PRO 85 Ca -0.06 0.40 -0.34 0.00 -2.02 0.00 0.00 63.50 61.47 2oug n PRO 85 Cb 0.24 -2.07 -0.07 0.00 -0.02 0.00 0.00 33.50 31.58 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 -1.43 3.20 0.37 3.55 0.00 -1.26 -3.22 121.76 122.96 2oug s ALA 86 Ca 0.69 0.32 -0.10 0.00 0.00 0.00 0.00 51.96 52.88 2oug s ALA 86 Cb -0.48 -3.03 -0.06 0.00 0.00 0.00 0.00 23.12 19.55 2oug s ALA 86 CO 0.52 0.21 0.72 0.42 0.00 0.00 0.00 175.76 177.63 2oug s ILE 87 N -1.90 4.82 -0.46 0.00 1.01 0.14 -4.61 121.20 120.21 2oug s ILE 87 Ca 0.54 0.55 -0.10 0.00 0.00 0.00 0.00 60.65 61.64 2oug s ILE 87 Cb -0.13 -3.71 0.10 0.00 0.01 0.00 0.00 42.46 38.73 2oug s ILE 87 CO 0.18 -0.43 0.33 -0.69 0.00 0.00 0.00 174.94 174.33 2oug s VAL 88 N -2.25 4.34 0.42 2.92 1.01 -1.26 -4.21 120.40 121.37 2oug s VAL 88 Ca 0.50 -1.58 -0.26 0.00 0.00 0.00 0.00 61.98 60.64 2oug s VAL 88 Cb -0.10 -3.76 -0.09 0.00 0.00 0.00 0.00 36.38 32.43 2oug s VAL 88 CO 0.29 -0.67 1.40 -2.84 0.00 0.00 0.00 175.10 173.28 2oug s PRO 89 N 1.42 3.87 0.56 2.72 0.02 -1.15 -4.92 135.00 137.51 2oug s PRO 89 Ca 0.04 2.36 -0.20 0.00 0.02 0.00 0.00 61.00 63.22 2oug s PRO 89 Cb -0.25 -2.76 -0.04 0.00 0.02 0.00 0.00 34.50 31.47 2oug s PRO 89 CO 0.01 -0.65 1.25 -1.54 -0.33 0.00 0.00 177.00 175.74 2oug s SER 90 N -0.51 5.35 0.41 2.53 1.04 -1.26 -4.44 113.70 116.81 2oug s SER 90 Ca 0.58 2.51 0.17 0.00 0.48 0.00 0.00 55.95 59.69 2oug s SER 90 Cb -0.42 -2.61 1.07 0.00 0.10 0.00 0.00 66.02 64.15 2oug s SER 90 CO 0.55 -1.50 1.83 0.00 0.98 0.00 0.00 173.24 175.11 2oug h ALA 91 N 1.25 2.19 -0.05 5.32 0.00 -2.00 0.14 119.26 126.12 2oug h ALA 91 Ca -0.50 0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.25 2oug h ALA 91 Cb 1.29 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 2oug h ALA 91 CO 0.57 -0.51 -0.77 0.28 0.00 0.00 0.00 179.25 178.82 2oug h VAL 92 N 0.43 1.41 -0.85 0.00 2.07 -2.00 -2.36 116.25 114.96 2oug h VAL 92 Ca 0.51 -2.27 0.06 0.00 0.82 0.00 0.00 66.70 65.82 2oug h VAL 92 Cb 1.24 2.22 -0.06 0.00 -1.52 0.00 0.00 31.29 33.17 2oug h VAL 92 CO -0.21 0.67 0.53 0.40 0.02 0.00 0.00 177.57 178.97 2oug h ILE 93 N 0.20 1.04 -0.22 4.57 2.04 -1.06 -2.72 117.51 121.38 2oug h ILE 93 Ca -0.03 -0.33 -0.03 0.00 1.00 0.00 0.00 64.86 65.46 2oug h ILE 93 Cb 1.35 -0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 2oug h ILE 93 CO 0.13 0.18 0.01 0.45 0.00 0.00 0.00 178.15 178.91 2oug h HIS 94 N 0.96 0.40 -0.46 1.37 3.86 -1.37 -3.21 115.15 116.71 2oug h HIS 94 Ca 0.37 -0.07 0.09 0.00 -1.16 0.00 0.00 60.37 59.60 2oug h HIS 94 Cb 0.17 -0.11 -0.10 0.00 1.06 0.00 0.00 27.41 28.43 2oug h HIS 94 CO -0.03 0.54 -0.34 1.96 0.86 0.00 0.00 177.93 180.92 2oug h GLN 95 N 0.15 -0.22 0.00 2.45 4.20 -1.12 -0.94 115.11 119.62 2oug h GLN 95 Ca 0.06 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.79 2oug h GLN 95 Cb 0.38 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.21 2oug h GLN 95 CO 0.01 -0.15 0.00 1.28 -0.67 0.00 0.00 178.83 179.30 2oug n LEU 96 N -5.42 0.52 0.00 1.46 4.77 -1.10 -2.23 117.00 115.00 2oug n LEU 96 Ca 0.02 0.72 -0.17 0.00 -0.03 0.00 0.00 56.01 56.54 2oug n LEU 96 Cb 0.34 -0.75 -0.12 0.00 -2.33 0.00 0.00 43.42 40.56 2oug n LEU 96 CO 0.05 -0.83 0.24 -1.28 -1.33 0.00 0.00 177.39 174.24 2oug h SER 97 N 0.00 0.38 0.00 -1.43 0.87 -1.19 -3.37 113.55 108.81 2oug h SER 97 Ca 0.00 -0.84 0.00 0.00 -1.23 0.00 0.00 61.79 59.72 2oug h SER 97 Cb 0.07 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 61.91 2oug h SER 97 CO 0.00 1.18 0.00 0.52 -0.53 0.00 0.00 176.83 178.00 2oug n VAL 98 N -4.30 0.00 -0.13 2.23 0.31 -0.95 -4.62 118.33 110.86 2oug n VAL 98 Ca -0.11 0.19 -0.08 0.00 -0.01 0.00 0.00 64.34 64.33 2oug n VAL 98 Cb 0.65 -0.47 -0.00 0.00 -0.91 0.00 0.00 33.84 33.11 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 0.52 0.00 3.52 -0.00 -1.84 -3.53 116.97 115.64 2oug h TYR 99 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 2oug h TYR 99 Cb 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 36.73 36.56 2oug h TYR 99 CO 0.00 0.37 0.00 1.63 -0.00 0.00 0.00 178.16 180.16 2oug n LYS 100 N -4.77 0.00 -0.10 0.10 4.76 -1.26 -5.13 118.16 111.75 2oug n LYS 100 Ca 0.00 0.00 -0.19 0.00 -2.87 0.00 0.00 58.31 55.26 2oug n LYS 100 Cb 0.05 0.00 -0.08 0.00 -1.84 0.00 0.00 35.03 33.16 2oug n LYS 100 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2oug n LYS 115 N 0.00 0.54 0.23 1.97 5.02 -1.26 -5.07 118.16 119.60 2oug n LYS 115 Ca 0.00 0.46 0.16 0.00 -2.02 0.00 0.00 58.31 56.91 2oug n LYS 115 Cb 0.00 -1.65 0.71 0.00 -0.02 0.00 0.00 35.03 34.07 2oug n LYS 115 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2oug h VAL 116 N -1.00 0.00 0.00 -0.18 2.07 -2.04 -0.06 116.25 115.04 2oug h VAL 116 Ca -0.32 -0.29 -0.17 0.00 0.82 0.00 0.00 66.70 66.73 2oug h VAL 116 Cb 1.18 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 32.08 2oug h VAL 116 CO -0.20 0.00 -1.88 -0.38 0.02 0.00 0.00 177.57 175.14 2oug n ILE 117 N -2.75 0.64 -0.01 4.57 5.41 -1.26 -4.16 119.36 121.80 2oug n ILE 117 Ca 0.00 -0.51 -0.18 0.00 1.00 0.00 0.00 62.75 63.06 2oug n ILE 117 Cb 0.22 -0.36 -0.14 0.00 -0.71 0.00 0.00 39.64 38.65 2oug n ILE 117 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 2oug n ILE 118 N -2.36 1.72 0.13 1.39 5.41 -1.13 -3.14 119.36 121.39 2oug n ILE 118 Ca -0.16 -0.69 -0.13 0.00 1.00 0.00 0.00 62.75 62.76 2oug n ILE 118 Cb 0.77 -1.51 -0.08 0.00 -0.71 0.00 0.00 39.64 38.10 2oug n ILE 118 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 2oug h THR 119 N 0.05 0.81 0.00 1.39 2.02 -1.26 -0.37 112.91 115.54 2oug h THR 119 Ca -0.40 -0.62 0.00 0.00 0.77 0.00 0.00 66.41 66.17 2oug h THR 119 Cb 2.03 1.15 0.00 0.00 -1.74 0.00 0.00 68.15 69.59 2oug h THR 119 CO 0.08 0.13 0.00 -0.33 0.37 0.00 0.00 175.52 175.77 2oug h GLU 120 N -0.66 0.00 0.00 6.66 3.07 -1.72 0.34 114.58 122.27 2oug h GLU 120 Ca -0.03 0.00 -0.12 0.00 -0.50 0.00 0.00 59.36 58.71 2oug h GLU 120 Cb 0.46 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.36 2oug h GLU 120 CO 0.06 0.00 -0.74 0.78 -1.40 0.00 0.00 179.01 177.70 2oug h GLY 121 N 1.29 0.00 1.01 -3.84 0.00 -1.47 -3.26 103.07 96.80 2oug h GLY 121 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 2oug h GLY 121 CO 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 176.54 176.15 2oug h ALA 122 N -0.53 -1.08 -2.63 3.60 0.00 -0.93 0.02 119.26 117.71 2oug h ALA 122 Ca -0.18 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2oug h ALA 122 Cb 0.97 0.42 0.00 0.00 0.00 0.00 0.00 17.79 19.18 2oug h ALA 122 CO -0.11 -1.10 0.00 1.19 0.00 0.00 0.00 179.25 179.23 2oug n PHE 123 N -5.55 0.00 0.01 0.00 3.01 0.12 -0.83 117.46 114.22 2oug n PHE 123 Ca -0.15 0.00 0.18 0.00 1.01 0.00 0.00 57.45 58.50 2oug n PHE 123 Cb 0.43 0.00 0.67 0.00 -0.01 0.00 0.00 39.48 40.57 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 0.04 -0.00 -1.08 5.08 -1.68 -2.33 114.58 114.60 2oug h GLU 124 Ca 0.00 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2oug h GLU 124 Cb 0.00 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 2oug h GLU 124 CO 0.00 0.02 0.00 0.78 -1.00 0.00 0.00 179.01 178.82 2oug h GLY 125 N 0.04 0.01 2.00 -3.84 0.00 -0.11 -2.79 103.07 98.38 2oug h GLY 125 Ca 0.23 -0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.50 2oug h GLY 125 CO -0.01 0.00 -0.28 0.74 0.00 0.00 0.00 176.54 177.00 2oug h PHE 126 N -0.17 0.00 -0.19 5.60 -1.00 -0.54 -2.09 116.94 118.55 2oug h PHE 126 Ca 0.00 0.00 0.02 0.00 2.81 0.00 0.00 57.97 60.81 2oug h PHE 126 Cb 0.18 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.71 2oug h PHE 126 CO -0.02 0.28 0.04 1.96 -1.61 0.00 0.00 178.31 178.96 2oug h GLN 127 N 0.00 0.11 -0.39 1.51 4.20 -1.32 -1.05 115.11 118.18 2oug h GLN 127 Ca -0.00 -0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.72 2oug h GLN 127 Cb 0.95 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.68 2oug h GLN 127 CO 0.04 0.07 0.23 0.00 -0.67 0.00 0.00 178.83 178.50 2oug h ALA 128 N 1.14 0.49 -0.72 3.87 0.00 -1.21 -2.23 119.26 120.59 2oug h ALA 128 Ca 0.08 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 2oug h ALA 128 Cb 0.08 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 2oug h ALA 128 CO -0.11 -0.11 0.31 0.82 0.00 0.00 0.00 179.25 180.16 2oug h ILE 129 N 0.47 1.24 0.00 0.00 2.04 -1.17 -1.26 117.51 118.82 2oug h ILE 129 Ca 0.15 -0.73 0.00 0.00 1.00 0.00 0.00 64.86 65.28 2oug h ILE 129 Cb 0.00 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 36.44 2oug h ILE 129 CO -0.07 0.30 0.00 0.49 0.00 0.00 0.00 178.15 178.87 2oug n PHE 130 N -4.30 0.00 0.35 1.37 0.99 -0.42 -3.02 117.46 112.43 2oug n PHE 130 Ca 0.07 0.00 0.04 0.00 -0.00 0.00 0.00 57.45 57.56 2oug n PHE 130 Cb 0.17 -0.26 -0.06 0.00 -1.00 0.00 0.00 39.48 38.33 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 -1.26 0.00 -2.43 4.37 -1.04 -0.55 -4.97 114.28 108.39 2oug n THR 131 Ca 0.13 -0.27 -0.43 0.00 -2.04 0.00 0.00 64.05 61.44 2oug n THR 131 Cb 0.20 0.86 -0.02 0.00 -1.82 0.00 0.00 70.33 69.55 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 -2.01 4.08 0.15 -2.82 -6.30 -0.74 -4.96 118.70 106.10 2oug s GLU 132 Ca 0.02 1.45 -0.19 0.00 -2.50 0.00 0.00 54.97 53.75 2oug s GLU 132 Cb 0.07 -3.81 0.05 0.00 0.00 0.00 0.00 34.13 30.43 2oug s GLU 132 CO 0.38 -0.90 1.67 -1.35 0.02 0.00 0.00 175.26 175.07 2oug h PRO 133 N 8.70 -0.07 -6.45 4.30 0.11 -1.92 -3.42 132.00 133.24 2oug h PRO 133 Ca -0.26 0.01 -0.66 0.00 0.11 0.00 0.00 66.00 65.20 2oug h PRO 133 Cb 1.10 0.02 -0.14 0.00 0.11 0.00 0.00 31.00 32.08 2oug h PRO 133 CO 1.00 -0.05 -0.70 0.16 -0.21 0.00 0.00 178.00 178.20 2oug s ASP 134 N -5.16 4.69 0.14 -2.05 -4.77 -1.26 -5.02 116.67 103.24 2oug s ASP 134 Ca -0.14 -0.28 -0.14 0.00 -3.30 0.00 0.00 52.55 48.69 2oug s ASP 134 Cb 0.13 -1.01 0.01 0.00 -1.09 0.00 0.00 42.92 40.96 2oug s ASP 134 CO 0.69 0.18 1.65 1.23 0.70 0.00 0.00 175.17 179.62 2oug h GLY 135 N 3.57 0.79 -0.23 2.12 0.00 -1.82 -2.87 103.07 104.63 2oug h GLY 135 Ca -0.48 -0.49 0.27 0.00 0.00 0.00 0.00 47.33 46.62 2oug h GLY 135 CO 0.56 0.46 0.61 -2.09 0.00 0.00 0.00 176.54 176.07 2oug h GLU 136 N 0.61 0.49 0.00 4.80 4.57 -1.93 2.18 114.58 125.30 2oug h GLU 136 Ca 0.14 -0.03 -0.13 0.00 -1.18 0.00 0.00 59.36 58.17 2oug h GLU 136 Cb 0.32 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.78 2oug h GLU 136 CO 0.00 0.32 -0.60 0.00 -1.18 0.00 0.00 179.01 177.55 2oug h ALA 137 N 1.73 0.96 -0.15 2.92 0.00 -1.91 -3.05 119.26 119.76 2oug h ALA 137 Ca 0.66 -0.55 -0.18 0.00 0.00 0.00 0.00 54.91 54.84 2oug h ALA 137 Cb 1.37 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 2oug h ALA 137 CO -0.47 0.76 -0.65 0.00 0.00 0.00 0.00 179.25 178.88 2oug h ARG 138 N 0.00 0.58 -0.06 0.00 3.08 0.33 -2.33 114.38 115.99 2oug h ARG 138 Ca -0.01 -0.42 0.03 0.00 0.07 0.00 0.00 59.98 59.65 2oug h ARG 138 Cb 1.10 0.07 -0.03 0.00 0.08 0.00 0.00 29.97 31.18 2oug h ARG 138 CO 0.08 1.04 -0.13 0.77 -1.07 0.00 0.00 179.97 180.66 2oug h SER 139 N 0.42 -0.38 0.07 7.04 0.02 0.44 0.48 113.55 121.64 2oug h SER 139 Ca -0.02 0.07 0.02 0.00 -0.84 0.00 0.00 61.79 61.02 2oug h SER 139 Cb 1.23 0.17 -0.04 0.00 0.14 0.00 0.00 62.40 63.91 2oug h SER 139 CO 0.12 -0.18 -0.24 0.24 -1.14 0.00 0.00 176.83 175.64 2oug h MET 140 N -0.19 -0.40 -0.78 3.45 2.86 -1.47 0.12 114.93 118.52 2oug h MET 140 Ca 0.06 0.03 0.15 0.00 -2.06 0.00 0.00 59.70 57.88 2oug h MET 140 Cb 0.28 0.09 -0.05 0.00 0.06 0.00 0.00 31.60 31.97 2oug h MET 140 CO -0.17 -0.26 0.52 -0.07 1.06 0.00 0.00 176.91 177.98 2oug h LEU 141 N -0.41 0.43 -0.01 1.22 3.38 -0.99 0.32 115.31 119.26 2oug h LEU 141 Ca 0.04 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 2oug h LEU 141 Cb 0.46 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 2oug h LEU 141 CO -0.16 0.22 -0.01 0.25 0.09 0.00 0.00 178.44 178.83 2oug h LEU 142 N 0.46 0.03 -0.31 1.67 5.85 0.11 -1.36 115.31 121.76 2oug h LEU 142 Ca 0.38 -0.46 0.02 0.00 0.84 0.00 0.00 57.88 58.66 2oug h LEU 142 Cb 0.83 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.82 2oug h LEU 142 CO -0.13 0.48 0.16 -0.07 -0.34 0.00 0.00 178.44 178.54 2oug h LEU 143 N -0.42 0.25 -0.67 2.25 3.38 0.22 0.29 115.31 120.61 2oug h LEU 143 Ca 0.00 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 2oug h LEU 143 Cb 0.47 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 2oug h LEU 143 CO 0.00 0.19 0.42 0.78 0.09 0.00 0.00 178.44 179.92 2oug h ASN 144 N 0.34 0.80 -0.00 -0.43 2.35 -0.42 0.80 115.58 119.01 2oug h ASN 144 Ca 0.13 -0.05 -0.05 0.00 -0.55 0.00 0.00 56.30 55.78 2oug h ASN 144 Cb 0.03 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.19 2oug h ASN 144 CO -0.08 0.61 -0.11 0.25 -1.65 0.00 0.00 177.43 176.45 2oug h LEU 145 N 0.91 0.25 0.16 1.61 5.85 -0.54 -0.42 115.31 123.13 2oug h LEU 145 Ca 0.24 -0.05 -0.30 0.00 0.84 0.00 0.00 57.88 58.61 2oug h LEU 145 Cb -0.05 -0.06 0.03 0.00 0.37 0.00 0.00 40.66 40.95 2oug h LEU 145 CO -0.05 0.39 -1.28 0.40 -0.34 0.00 0.00 178.44 177.57 2oug h ILE 146 N 0.25 1.29 -0.41 4.05 2.04 0.31 -2.08 117.51 122.96 2oug h ILE 146 Ca 0.05 -2.52 0.01 0.00 1.00 0.00 0.00 64.86 63.41 2oug h ILE 146 Cb 0.36 2.81 -0.02 0.00 -0.74 0.00 0.00 36.82 39.23 2oug h ILE 146 CO 0.02 0.76 0.26 -1.13 0.00 0.00 0.00 178.15 178.06 2oug h ASN 147 N 0.20 0.44 0.36 1.72 -0.00 -0.58 -0.81 115.58 116.92 2oug h ASN 147 Ca -0.20 -0.01 -0.01 0.00 -0.00 0.00 0.00 56.30 56.08 2oug h ASN 147 Cb 1.96 -0.10 -0.01 0.00 -0.00 0.00 0.00 38.32 40.17 2oug h ASN 147 CO 0.24 0.32 -0.26 0.11 -0.00 0.00 0.00 177.43 177.84 2oug h LYS 148 N 0.53 -0.57 -0.97 6.67 1.57 -1.11 -2.50 116.57 120.19 2oug h LYS 148 Ca 0.16 0.04 0.32 0.00 -1.87 0.00 0.00 60.65 59.29 2oug h LYS 148 Cb -0.04 0.13 -0.16 0.00 0.08 0.00 0.00 32.23 32.25 2oug h LYS 148 CO -0.05 -0.38 0.44 0.93 -0.57 0.00 0.00 179.45 179.82 2oug h GLU 149 N -0.59 0.20 -0.30 3.15 4.39 -1.21 0.65 114.58 120.87 2oug h GLU 149 Ca -0.05 -0.01 -0.08 0.00 0.34 0.00 0.00 59.36 59.56 2oug h GLU 149 Cb 0.49 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.08 2oug h GLU 149 CO 0.02 0.13 -0.13 0.82 -1.16 0.00 0.00 179.01 178.69 2oug h ILE 150 N 0.21 1.29 -0.72 3.13 2.04 -1.01 -2.44 117.51 120.00 2oug h ILE 150 Ca 0.71 -1.23 0.09 0.00 1.00 0.00 0.00 64.86 65.43 2oug h ILE 150 Cb 1.63 1.45 -0.07 0.00 -0.74 0.00 0.00 36.82 39.09 2oug h ILE 150 CO -0.68 0.39 0.36 0.11 0.00 0.00 0.00 178.15 178.34 2oug h LYS 151 N 0.38 0.60 -0.67 2.37 1.57 -0.43 -0.57 116.57 119.83 2oug h LYS 151 Ca 0.07 -0.04 0.05 0.00 -1.87 0.00 0.00 60.65 58.86 2oug h LYS 151 Cb 0.65 -0.13 -0.05 0.00 0.08 0.00 0.00 32.23 32.78 2oug h LYS 151 CO 0.04 0.40 0.39 1.25 -0.57 0.00 0.00 179.45 180.96 2oug h HIS 152 N 0.62 0.72 -0.77 -1.35 2.76 -1.30 -0.34 115.15 115.49 2oug h HIS 152 Ca 0.35 0.02 0.05 0.00 -2.20 0.00 0.00 60.37 58.59 2oug h HIS 152 Cb 0.37 -0.23 -0.05 0.00 1.55 0.00 0.00 27.41 29.05 2oug h HIS 152 CO -0.10 0.38 0.48 0.66 -1.30 0.00 0.00 177.93 178.04 2oug h SER 153 N 0.74 0.76 0.00 3.26 4.64 -0.63 -0.32 113.55 122.01 2oug h SER 153 Ca 0.29 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 2oug h SER 153 Cb 0.12 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 2oug h SER 153 CO -0.15 0.50 0.00 0.52 -0.87 0.00 0.00 176.83 176.84 2oug n VAL 154 N -4.65 0.00 -0.23 0.95 0.31 -0.86 -3.83 118.33 110.02 2oug n VAL 154 Ca 0.10 0.93 0.31 0.00 -0.01 0.00 0.00 64.34 65.67 2oug n VAL 154 Cb 0.14 -1.90 0.73 0.00 -0.91 0.00 0.00 33.84 31.90 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 -1.14 -3.52 116.57 119.03 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