#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aoi n LYS 5 N 0.00 1.99 0.08 1.61 4.76 -1.26 -4.10 118.16 121.23 1aoi n LYS 5 Ca 0.00 -1.15 0.10 0.00 -2.87 0.00 0.00 58.31 54.39 1aoi n LYS 5 Cb 0.00 -1.62 0.43 0.00 -1.84 0.00 0.00 35.03 32.00 1aoi n LYS 5 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1aoi n GLN 6 N 0.07 0.12 0.16 1.97 0.00 -1.26 -3.13 117.38 115.31 1aoi n GLN 6 Ca 0.16 0.32 0.04 0.00 0.00 0.00 0.00 57.00 57.52 1aoi n GLN 6 Cb 0.77 -1.72 0.14 0.00 0.00 0.00 0.00 30.24 29.43 1aoi n GLN 6 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.06 177.84 1aoi h GLY 7 N 2.71 0.00 -5.08 2.61 0.00 -2.00 -3.37 103.07 97.94 1aoi h GLY 7 Ca 0.00 0.00 -0.64 0.00 0.00 0.00 0.00 47.33 46.69 1aoi h GLY 7 CO 0.00 0.00 3.00 0.61 0.00 0.00 0.00 176.54 180.15 1aoi n GLY 8 N 0.91 4.42 0.00 4.60 0.00 -1.18 -4.83 105.19 109.11 1aoi n GLY 8 Ca 0.01 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.39 1aoi n GLY 8 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1aoi n LYS 9 N 2.88 0.00 -0.79 1.61 5.02 -1.26 -5.17 118.16 120.45 1aoi n LYS 9 Ca 0.70 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 56.65 1aoi n LYS 9 Cb 0.30 0.00 0.12 0.00 -0.02 0.00 0.00 35.03 35.43 1aoi n LYS 9 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1aoi n THR 10 N 0.00 0.00 -1.32 -0.18 -2.24 -1.26 -4.91 114.28 104.37 1aoi n THR 10 Ca 0.00 -0.24 0.13 0.00 -2.27 0.00 0.00 64.05 61.67 1aoi n THR 10 Cb 0.00 -0.45 -0.07 0.00 -2.10 0.00 0.00 70.33 67.71 1aoi n THR 10 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1aoi n ARG 11 N -0.75 -3.15 0.00 -0.78 1.74 -1.26 -4.88 116.66 107.59 1aoi n ARG 11 Ca 0.02 2.55 0.00 0.00 -0.77 0.00 0.00 57.85 59.65 1aoi n ARG 11 Cb 0.62 -3.55 0.00 0.00 -1.02 0.00 0.00 32.46 28.51 1aoi n ARG 11 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1aoi n ALA 12 N -3.84 0.00 -0.59 7.54 0.00 -1.26 -4.96 120.51 117.40 1aoi n ALA 12 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1aoi n ALA 12 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 1aoi n ALA 12 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1aoi n LYS 13 N 0.00 -1.67 -0.83 0.00 4.76 -1.26 -5.06 118.16 114.11 1aoi n LYS 13 Ca 0.00 1.22 -0.30 0.00 -2.87 0.00 0.00 58.31 56.36 1aoi n LYS 13 Cb 0.00 -1.36 0.02 0.00 -1.84 0.00 0.00 35.03 31.85 1aoi n LYS 13 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1aoi n ALA 14 N -0.55 -4.16 -3.54 7.82 0.00 -1.26 -5.08 120.51 113.74 1aoi n ALA 14 Ca 0.00 -1.08 -0.01 0.00 0.00 0.00 0.00 53.44 52.35 1aoi n ALA 14 Cb 0.00 -0.61 -0.05 0.00 0.00 0.00 0.00 19.45 18.79 1aoi n ALA 14 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1aoi s LYS 15 N -1.69 0.40 0.72 0.00 2.20 -1.26 -5.17 119.74 114.95 1aoi s LYS 15 Ca 0.28 0.87 -0.14 0.00 -0.36 0.00 0.00 55.97 56.62 1aoi s LYS 15 Cb 0.09 0.36 0.04 0.00 -1.51 0.00 0.00 37.83 36.80 1aoi s LYS 15 CO 0.51 -0.11 1.15 0.95 -0.36 0.00 0.00 175.35 177.49 1aoi s THR 16 N 2.09 2.72 0.22 3.43 -4.23 -1.26 -4.88 115.64 113.72 1aoi s THR 16 Ca -0.06 0.33 0.16 0.00 -1.18 0.00 0.00 61.69 60.94 1aoi s THR 16 Cb -0.06 -2.82 0.09 0.00 1.34 0.00 0.00 72.50 71.06 1aoi s THR 16 CO -0.17 -0.22 1.72 0.03 -0.54 0.00 0.00 174.62 175.44 1aoi h ARG 17 N -0.39 0.00 -0.48 3.99 3.08 -1.98 -1.58 114.38 117.02 1aoi h ARG 17 Ca -0.47 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.47 1aoi h ARG 17 Cb 1.27 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.30 1aoi h ARG 17 CO 0.51 0.43 -0.15 0.77 -1.07 0.00 0.00 179.97 180.45 1aoi h SER 18 N 0.00 0.97 -0.22 7.04 0.02 -1.86 -0.28 113.55 119.23 1aoi h SER 18 Ca -0.00 -0.38 0.05 0.00 -0.84 0.00 0.00 61.79 60.62 1aoi h SER 18 Cb 0.92 -0.27 -0.04 0.00 0.14 0.00 0.00 62.40 63.15 1aoi h SER 18 CO 0.06 1.12 -0.07 -1.28 -1.14 0.00 0.00 176.83 175.52 1aoi h SER 19 N 0.81 -0.24 -0.33 3.07 0.87 -1.57 0.73 113.55 116.89 1aoi h SER 19 Ca 0.12 0.07 0.01 0.00 -1.23 0.00 0.00 61.79 60.75 1aoi h SER 19 Cb 0.72 0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.81 1aoi h SER 19 CO 0.06 -0.09 0.21 0.03 -0.53 0.00 0.00 176.83 176.51 1aoi h ARG 20 N -0.02 0.42 0.00 2.24 3.08 -1.03 -2.79 114.38 116.27 1aoi h ARG 20 Ca 0.11 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.10 1aoi h ARG 20 Cb 0.18 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 1aoi h ARG 20 CO -0.24 0.28 -0.17 0.00 -1.07 0.00 0.00 179.97 178.77 1aoi h ALA 21 N 1.13 1.21 -0.05 0.04 0.00 -0.54 -3.46 119.26 117.59 1aoi h ALA 21 Ca 0.12 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1aoi h ALA 21 Cb -0.04 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1aoi h ALA 21 CO -0.04 0.21 0.00 0.41 0.00 0.00 0.00 179.25 179.84 1aoi n GLY 22 N -0.43 1.29 3.53 0.00 0.00 -0.03 -5.08 105.19 104.47 1aoi n GLY 22 Ca -0.01 -0.36 -0.25 0.00 0.00 0.00 0.00 46.02 45.40 1aoi n GLY 22 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1aoi s LEU 23 N -0.05 2.82 -0.12 0.99 1.43 0.05 -5.02 118.68 118.78 1aoi s LEU 23 Ca 0.00 -0.78 -0.13 0.00 -1.03 0.00 0.00 54.13 52.19 1aoi s LEU 23 Cb 0.00 -1.42 -0.26 0.00 0.03 0.00 0.00 46.19 44.54 1aoi s LEU 23 CO 0.00 0.06 0.44 1.56 0.23 0.00 0.00 176.35 178.64 1aoi h GLN 24 N 2.49 0.24 -7.17 1.70 1.08 -1.96 -3.38 115.11 108.11 1aoi h GLN 24 Ca -0.44 -0.40 -0.53 0.00 -1.45 0.00 0.00 58.65 55.82 1aoi h GLN 24 Cb 1.23 0.15 0.15 0.00 -0.05 0.00 0.00 27.48 28.96 1aoi h GLN 24 CO 0.57 1.19 0.41 -0.06 -0.95 0.00 0.00 178.83 179.99 1aoi s PHE 25 N -2.50 2.14 -0.89 2.96 0.40 -1.26 -4.95 117.98 113.87 1aoi s PHE 25 Ca -0.22 1.58 -0.24 0.00 -0.60 0.00 0.00 56.93 57.45 1aoi s PHE 25 Cb 0.06 -3.46 0.00 0.00 0.51 0.00 0.00 43.02 40.13 1aoi s PHE 25 CO 0.75 -2.51 1.66 -1.25 0.70 0.00 0.00 175.22 174.58 1aoi s PRO 26 N -3.83 3.04 0.23 0.24 0.04 -1.26 -4.69 135.00 128.77 1aoi s PRO 26 Ca 0.75 -0.49 -0.06 0.00 0.04 0.00 0.00 61.00 61.23 1aoi s PRO 26 Cb -0.29 -4.98 0.21 0.00 0.04 0.00 0.00 34.50 29.48 1aoi s PRO 26 CO 0.43 -2.70 1.74 0.28 0.04 0.00 0.00 177.00 176.80 1aoi h VAL 27 N 6.88 1.25 0.56 -0.36 2.07 -1.90 0.16 116.25 124.92 1aoi h VAL 27 Ca 0.05 -0.97 -0.02 0.00 0.82 0.00 0.00 66.70 66.58 1aoi h VAL 27 Cb 1.03 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 1aoi h VAL 27 CO 1.30 0.36 -0.45 1.23 0.02 0.00 0.00 177.57 180.03 1aoi h GLY 28 N 1.04 -1.15 0.99 2.17 0.00 -1.94 -1.09 103.07 103.08 1aoi h GLY 28 Ca 0.20 0.52 0.01 0.00 0.00 0.00 0.00 47.33 48.05 1aoi h GLY 28 CO 0.01 -0.38 0.50 -0.09 0.00 0.00 0.00 176.54 176.58 1aoi h ARG 29 N -1.00 0.98 0.06 4.80 2.43 -1.90 -2.38 114.38 117.38 1aoi h ARG 29 Ca -0.07 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.04 1aoi h ARG 29 Cb 0.84 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 30.17 1aoi h ARG 29 CO -0.00 0.65 -0.03 0.28 -1.51 0.00 0.00 179.97 179.36 1aoi h VAL 30 N 1.01 0.98 -0.85 0.20 2.07 -0.86 -0.49 116.25 118.31 1aoi h VAL 30 Ca 0.28 -0.15 0.13 0.00 0.82 0.00 0.00 66.70 67.78 1aoi h VAL 30 Cb -0.10 1.08 -0.09 0.00 -1.52 0.00 0.00 31.29 30.67 1aoi h VAL 30 CO -0.07 0.04 0.46 -0.74 0.02 0.00 0.00 177.57 177.28 1aoi h HIS 31 N -0.15 0.82 -0.34 1.57 -0.00 -1.02 -0.97 115.15 115.05 1aoi h HIS 31 Ca -0.01 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.38 1aoi h HIS 31 Cb 0.13 -0.24 -0.02 0.00 -0.00 0.00 0.00 27.41 27.28 1aoi h HIS 31 CO -0.05 0.26 0.17 -0.09 -0.00 0.00 0.00 177.93 178.22 1aoi h ARG 32 N 0.71 0.49 -0.06 5.26 2.43 -1.12 -2.92 114.38 119.17 1aoi h ARG 32 Ca 0.44 -0.07 -0.04 0.00 -0.81 0.00 0.00 59.98 59.50 1aoi h ARG 32 Cb 0.54 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.99 1aoi h ARG 32 CO -0.31 0.44 -0.17 -0.07 -1.51 0.00 0.00 179.97 178.34 1aoi h LEU 33 N 0.42 0.09 -0.67 3.80 3.38 0.19 -2.60 115.31 119.91 1aoi h LEU 33 Ca 0.12 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 1aoi h LEU 33 Cb 0.10 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 1aoi h LEU 33 CO -0.02 0.27 0.19 -0.07 0.09 0.00 0.00 178.44 178.90 1aoi h LEU 34 N 0.09 1.00 0.46 1.67 3.38 -1.12 -2.79 115.31 117.99 1aoi h LEU 34 Ca 0.02 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.75 1aoi h LEU 34 Cb 0.36 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1aoi h LEU 34 CO 0.02 0.95 -0.22 0.03 0.09 0.00 0.00 178.44 179.31 1aoi h ARG 35 N 0.99 -0.60 0.00 1.13 3.08 -1.36 -3.23 114.38 114.40 1aoi h ARG 35 Ca 0.21 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.31 1aoi h ARG 35 Cb 0.32 0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.51 1aoi h ARG 35 CO -0.00 -0.30 0.00 1.63 -1.07 0.00 0.00 179.97 180.23 1aoi n LYS 36 N -5.25 0.30 0.00 0.04 5.02 -1.01 -2.11 118.16 115.15 1aoi n LYS 36 Ca -0.11 0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.27 1aoi n LYS 36 Cb 0.30 -1.47 0.03 0.00 -0.02 0.00 0.00 35.03 33.87 1aoi n LYS 36 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1aoi n GLY 37 N -0.39 0.13 3.31 0.72 0.00 -1.06 -5.03 105.19 102.88 1aoi n GLY 37 Ca 0.07 -0.51 -0.17 0.00 0.00 0.00 0.00 46.02 45.41 1aoi n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1aoi n ASN 38 N 0.31 -6.53 -0.10 1.61 5.03 -0.90 -4.96 115.26 109.73 1aoi n ASN 38 Ca 0.08 -0.20 -0.13 0.00 0.87 0.00 0.00 54.58 55.21 1aoi n ASN 38 Cb 0.40 -3.54 -0.09 0.00 -1.02 0.00 0.00 39.78 35.53 1aoi n ASN 38 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 1aoi n TYR 39 N -1.33 0.00 -3.96 3.10 4.01 -1.26 -5.05 117.16 112.66 1aoi n TYR 39 Ca -0.08 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.57 1aoi n TYR 39 Cb 0.59 -0.75 -0.05 0.00 -0.31 0.00 0.00 39.34 38.82 1aoi n TYR 39 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1aoi s ALA 40 N -2.39 -0.33 0.05 -0.72 0.00 -1.26 -5.08 121.76 112.03 1aoi s ALA 40 Ca -0.25 -0.79 -0.31 0.00 0.00 0.00 0.00 51.96 50.62 1aoi s ALA 40 Cb 0.07 1.02 -0.18 0.00 0.00 0.00 0.00 23.12 24.02 1aoi s ALA 40 CO 0.46 -0.84 1.43 0.93 0.00 0.00 0.00 175.76 177.75 1aoi h GLU 41 N 2.27 -0.90 -6.24 0.00 4.39 -2.00 -3.45 114.58 108.64 1aoi h GLU 41 Ca -0.27 0.06 -0.57 0.00 0.34 0.00 0.00 59.36 58.93 1aoi h GLU 41 Cb 1.25 0.20 -0.10 0.00 -0.10 0.00 0.00 28.75 30.01 1aoi h GLU 41 CO 0.36 -0.57 -0.64 1.03 -1.16 0.00 0.00 179.01 178.03 1aoi s ARG 42 N -5.50 2.36 -0.08 2.33 0.52 -1.26 -5.08 118.95 112.23 1aoi s ARG 42 Ca -0.17 -1.31 -0.01 0.00 -0.52 0.00 0.00 55.73 53.72 1aoi s ARG 42 Cb 0.02 -2.24 0.03 0.00 0.52 0.00 0.00 34.95 33.28 1aoi s ARG 42 CO 0.56 0.39 -0.02 0.08 0.02 0.00 0.00 175.30 176.33 1aoi s VAL 43 N -2.15 0.54 0.86 3.52 1.01 -1.26 -5.08 120.40 117.83 1aoi s VAL 43 Ca 0.30 0.01 -0.12 0.00 0.00 0.00 0.00 61.98 62.17 1aoi s VAL 43 Cb -0.07 -0.67 0.11 0.00 0.00 0.00 0.00 36.38 35.75 1aoi s VAL 43 CO 0.20 0.28 1.11 -0.83 0.00 0.00 0.00 175.10 175.86 1aoi s GLY 44 N 1.91 1.60 0.25 4.51 0.00 -1.26 -4.96 107.32 109.36 1aoi s GLY 44 Ca 0.05 -0.33 -0.05 0.00 0.00 0.00 0.00 44.72 44.39 1aoi s GLY 44 CO -0.06 0.16 1.84 0.00 0.00 0.00 0.00 173.10 175.04 1aoi h ALA 45 N -1.33 1.18 0.00 3.20 0.00 -2.03 -2.77 119.26 117.50 1aoi h ALA 45 Ca -0.49 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.22 1aoi h ALA 45 Cb 1.30 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1aoi h ALA 45 CO 0.60 0.62 -0.18 0.78 0.00 0.00 0.00 179.25 181.07 1aoi h GLY 46 N 1.14 0.00 0.13 0.00 0.00 -2.01 -3.30 103.07 99.03 1aoi h GLY 46 Ca 0.26 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.61 1aoi h GLY 46 CO -0.03 0.00 -0.51 0.00 0.00 0.00 0.00 176.54 176.00 1aoi h ALA 47 N 1.82 -0.93 -0.89 3.60 0.00 -1.86 -1.50 119.26 119.49 1aoi h ALA 47 Ca -0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1aoi h ALA 47 Cb 0.61 0.87 -0.04 0.00 0.00 0.00 0.00 17.79 19.23 1aoi h ALA 47 CO 0.02 -1.09 0.52 -1.00 0.00 0.00 0.00 179.25 177.70 1aoi h PRO 48 N -0.72 1.22 -0.44 0.00 0.13 -1.74 -1.83 132.00 128.63 1aoi h PRO 48 Ca 0.01 -0.12 0.08 0.00 -0.87 0.00 0.00 66.00 65.10 1aoi h PRO 48 Cb 0.74 -0.25 -0.07 0.00 0.13 0.00 0.00 31.00 31.55 1aoi h PRO 48 CO -0.29 0.86 0.01 0.28 -0.23 0.00 0.00 178.00 178.62 1aoi h VAL 49 N 1.23 0.67 0.35 1.56 2.07 -1.54 0.21 116.25 120.80 1aoi h VAL 49 Ca 0.32 -0.04 -0.02 0.00 0.82 0.00 0.00 66.70 67.78 1aoi h VAL 49 Cb -0.03 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 30.29 1aoi h VAL 49 CO -0.06 0.02 -0.17 0.22 0.02 0.00 0.00 177.57 177.61 1aoi h TYR 50 N 0.12 -0.44 -0.68 1.57 5.03 -0.93 -1.34 116.97 120.30 1aoi h TYR 50 Ca 0.22 -0.01 0.08 0.00 2.58 0.00 0.00 58.73 61.60 1aoi h TYR 50 Cb 0.31 0.14 -0.06 0.00 1.55 0.00 0.00 36.73 38.67 1aoi h TYR 50 CO -0.28 -0.16 0.34 1.25 -1.32 0.00 0.00 178.16 177.99 1aoi h LEU 51 N -0.66 0.46 -0.82 2.82 5.85 -1.05 -0.43 115.31 121.48 1aoi h LEU 51 Ca -0.05 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 1aoi h LEU 51 Cb 0.47 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.43 1aoi h LEU 51 CO 0.08 0.28 0.50 0.00 -0.34 0.00 0.00 178.44 178.96 1aoi h ALA 52 N 1.39 1.05 -0.52 1.25 0.00 -0.51 0.54 119.26 122.46 1aoi h ALA 52 Ca 0.32 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1aoi h ALA 52 Cb 0.30 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1aoi h ALA 52 CO -0.24 0.51 0.26 0.00 0.00 0.00 0.00 179.25 179.78 1aoi h ALA 53 N 1.27 0.68 -0.10 0.00 0.00 -0.15 -0.50 119.26 120.46 1aoi h ALA 53 Ca 0.29 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1aoi h ALA 53 Cb -0.05 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 1aoi h ALA 53 CO -0.06 0.23 0.01 0.28 0.00 0.00 0.00 179.25 179.71 1aoi h VAL 54 N 0.70 1.23 -0.27 0.00 2.07 -0.61 -0.51 116.25 118.87 1aoi h VAL 54 Ca 0.18 -0.73 0.00 0.00 0.82 0.00 0.00 66.70 66.97 1aoi h VAL 54 Cb 0.11 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 1aoi h VAL 54 CO -0.02 0.21 0.17 -0.07 0.02 0.00 0.00 177.57 177.87 1aoi h LEU 55 N -0.08 0.32 -0.26 2.57 3.38 -0.80 -0.65 115.31 119.79 1aoi h LEU 55 Ca 0.03 -0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.00 1aoi h LEU 55 Cb 0.32 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 1aoi h LEU 55 CO 0.00 0.26 0.04 -0.08 0.09 0.00 0.00 178.44 178.75 1aoi h GLU 56 N 0.35 0.13 -0.29 1.13 4.81 -1.04 -1.41 114.58 118.26 1aoi h GLU 56 Ca 0.10 -0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.38 1aoi h GLU 56 Cb -0.01 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.29 1aoi h GLU 56 CO -0.02 0.08 -0.07 -0.92 -0.73 0.00 0.00 179.01 177.36 1aoi h TYR 57 N 0.13 -0.14 -0.59 0.92 3.20 -0.64 -0.88 116.97 118.97 1aoi h TYR 57 Ca 0.12 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.00 1aoi h TYR 57 Cb 0.13 0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.48 1aoi h TYR 57 CO -0.17 -0.12 0.31 -0.07 -1.64 0.00 0.00 178.16 176.48 1aoi h LEU 58 N 0.01 0.74 -1.18 2.82 3.38 -0.77 -2.20 115.31 118.10 1aoi h LEU 58 Ca 0.14 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 1aoi h LEU 58 Cb 0.21 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1aoi h LEU 58 CO -0.29 0.63 0.14 0.71 0.09 0.00 0.00 178.44 179.72 1aoi h THR 59 N 0.80 1.20 -0.90 0.22 1.35 -0.68 -1.38 112.91 113.52 1aoi h THR 59 Ca 0.21 -0.69 -0.00 0.00 -0.55 0.00 0.00 66.41 65.37 1aoi h THR 59 Cb 0.06 0.69 -0.04 0.00 -1.73 0.00 0.00 68.15 67.13 1aoi h THR 59 CO -0.03 0.26 0.55 0.00 -0.25 0.00 0.00 175.52 176.05 1aoi h ALA 60 N 1.46 1.15 0.13 6.62 0.00 -0.65 -0.70 119.26 127.26 1aoi h ALA 60 Ca 0.16 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1aoi h ALA 60 Cb 0.23 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1aoi h ALA 60 CO -0.01 0.60 -0.06 1.49 0.00 0.00 0.00 179.25 181.27 1aoi h GLU 61 N 1.24 -0.17 -0.72 0.00 4.57 -0.75 0.39 114.58 119.14 1aoi h GLU 61 Ca 0.32 0.01 -0.06 0.00 -1.18 0.00 0.00 59.36 58.45 1aoi h GLU 61 Cb -0.06 0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.53 1aoi h GLU 61 CO -0.06 -0.08 0.20 0.82 -1.18 0.00 0.00 179.01 178.71 1aoi h ILE 62 N -0.21 1.26 -0.43 2.32 2.04 -1.07 -1.83 117.51 119.59 1aoi h ILE 62 Ca -0.02 -0.94 -0.10 0.00 1.00 0.00 0.00 64.86 64.81 1aoi h ILE 62 Cb 0.17 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 1aoi h ILE 62 CO 0.03 0.36 -0.11 -0.07 0.00 0.00 0.00 178.15 178.36 1aoi h LEU 63 N 1.07 0.84 0.19 1.44 3.38 -1.01 0.24 115.31 121.45 1aoi h LEU 63 Ca 0.23 -0.36 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 1aoi h LEU 63 Cb 0.34 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1aoi h LEU 63 CO -0.00 1.01 -0.09 -0.08 0.09 0.00 0.00 178.44 179.36 1aoi h GLU 64 N 0.65 -0.25 -0.32 1.13 4.57 -0.86 0.11 114.58 119.62 1aoi h GLU 64 Ca 0.11 0.02 0.01 0.00 -1.18 0.00 0.00 59.36 58.32 1aoi h GLU 64 Cb 0.65 0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.27 1aoi h GLU 64 CO 0.04 -0.13 0.19 -0.07 -1.18 0.00 0.00 179.01 177.86 1aoi h LEU 65 N -0.29 0.31 -0.61 1.64 3.38 -1.19 -2.78 115.31 115.77 1aoi h LEU 65 Ca -0.03 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 1aoi h LEU 65 Cb 0.23 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 1aoi h LEU 65 CO 0.04 0.23 0.16 0.00 0.09 0.00 0.00 178.44 178.96 1aoi h ALA 66 N 1.14 0.81 -0.68 1.53 0.00 -0.43 -2.57 119.26 119.06 1aoi h ALA 66 Ca 0.13 -0.23 0.06 0.00 0.00 0.00 0.00 54.91 54.87 1aoi h ALA 66 Cb -0.01 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.51 1aoi h ALA 66 CO -0.05 0.51 0.45 0.78 0.00 0.00 0.00 179.25 180.93 1aoi h GLY 67 N 0.89 0.87 0.87 0.00 0.00 -0.59 -0.22 103.07 104.89 1aoi h GLY 67 Ca 0.19 -0.27 -0.03 0.00 0.00 0.00 0.00 47.33 47.22 1aoi h GLY 67 CO 0.00 0.20 0.05 3.43 0.00 0.00 0.00 176.54 180.22 1aoi h ASN 68 N 0.68 0.38 -0.82 0.19 2.35 -1.19 -1.12 115.58 116.06 1aoi h ASN 68 Ca 0.29 -0.25 0.11 0.00 -0.55 0.00 0.00 56.30 55.90 1aoi h ASN 68 Cb 0.27 -0.10 -0.06 0.00 0.05 0.00 0.00 38.32 38.49 1aoi h ASN 68 CO -0.09 0.53 0.53 0.00 -1.65 0.00 0.00 177.43 176.75 1aoi h ALA 69 N 0.87 1.78 0.39 -0.83 0.00 -0.99 0.12 119.26 120.60 1aoi h ALA 69 Ca 0.08 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1aoi h ALA 69 Cb 0.31 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1aoi h ALA 69 CO 0.00 0.04 -0.22 0.00 0.00 0.00 0.00 179.25 179.07 1aoi h ALA 70 N 1.60 -0.57 -0.42 0.00 0.00 -0.31 -2.37 119.26 117.18 1aoi h ALA 70 Ca 0.38 -0.12 0.08 0.00 0.00 0.00 0.00 54.91 55.26 1aoi h ALA 70 Cb 0.51 0.27 -0.07 0.00 0.00 0.00 0.00 17.79 18.49 1aoi h ALA 70 CO -0.15 -0.83 -0.02 0.00 0.00 0.00 0.00 179.25 178.25 1aoi h ARG 71 N -0.58 0.08 -0.91 0.00 2.47 0.05 -1.09 114.38 114.41 1aoi h ARG 71 Ca -0.05 -0.01 0.17 0.00 -1.26 0.00 0.00 59.98 58.84 1aoi h ARG 71 Cb 0.47 -0.02 -0.10 0.00 -1.65 0.00 0.00 29.97 28.66 1aoi h ARG 71 CO 0.06 0.06 0.50 -0.44 0.56 0.00 0.00 179.97 180.70 1aoi h ASP 72 N 0.09 0.60 -0.49 7.04 3.32 -0.50 0.15 116.42 126.63 1aoi h ASP 72 Ca 0.21 0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.35 1aoi h ASP 72 Cb 0.31 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.86 1aoi h ASP 72 CO -0.37 0.21 0.01 0.59 -1.72 0.00 0.00 179.24 177.97 1aoi n ASN 73 N -4.85 5.01 -2.45 6.45 3.02 -0.92 -4.93 115.26 116.58 1aoi n ASN 73 Ca 0.20 -2.80 -0.19 0.00 -0.03 0.00 0.00 54.58 51.77 1aoi n ASN 73 Cb 0.51 -0.66 -0.01 0.00 -0.61 0.00 0.00 39.78 39.02 1aoi n ASN 73 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1aoi n LYS 74 N 0.51 -2.02 -3.97 3.52 5.02 0.04 -4.99 118.16 116.27 1aoi n LYS 74 Ca 0.24 0.88 -0.22 0.00 -2.02 0.00 0.00 58.31 57.19 1aoi n LYS 74 Cb 1.07 -5.54 -0.04 0.00 -0.02 0.00 0.00 35.03 30.49 1aoi n LYS 74 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1aoi s LYS 75 N -5.09 2.72 -0.01 1.97 -0.14 -0.45 -5.01 119.74 113.74 1aoi s LYS 75 Ca 0.02 -1.25 0.02 0.00 -1.36 0.00 0.00 55.97 53.39 1aoi s LYS 75 Cb -0.01 -2.45 -0.03 0.00 -1.68 0.00 0.00 37.83 33.66 1aoi s LYS 75 CO 0.02 0.21 0.03 2.41 -0.76 0.00 0.00 175.35 177.26 1aoi n THR 76 N -1.26 0.06 -3.67 2.17 -1.04 -1.26 -3.86 114.28 105.41 1aoi n THR 76 Ca -0.04 -0.06 -0.38 0.00 -2.04 0.00 0.00 64.05 61.53 1aoi n THR 76 Cb 0.59 -0.17 -0.12 0.00 -1.82 0.00 0.00 70.33 68.82 1aoi n THR 76 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 1aoi s ARG 77 N -2.10 3.49 0.30 -2.82 3.52 -1.26 -5.05 118.95 115.03 1aoi s ARG 77 Ca -0.01 -0.61 -0.29 0.00 -0.13 0.00 0.00 55.73 54.69 1aoi s ARG 77 Cb 0.01 -3.51 -0.11 0.00 -1.56 0.00 0.00 34.95 29.78 1aoi s ARG 77 CO 0.08 -0.33 1.48 0.42 -0.81 0.00 0.00 175.30 176.14 1aoi s ILE 78 N 1.63 2.34 0.33 4.11 1.01 -1.26 -5.02 121.20 124.35 1aoi s ILE 78 Ca 0.05 0.31 0.04 0.00 0.00 0.00 0.00 60.65 61.05 1aoi s ILE 78 Cb -0.16 -3.19 -0.07 0.00 0.01 0.00 0.00 42.46 39.05 1aoi s ILE 78 CO 0.06 0.06 0.05 0.27 0.00 0.00 0.00 174.94 175.38 1aoi s ILE 79 N -0.43 1.29 0.30 2.92 -4.36 -1.26 -5.02 121.20 114.64 1aoi s ILE 79 Ca 0.57 -2.00 0.06 0.00 -0.26 0.00 0.00 60.65 59.03 1aoi s ILE 79 Cb -0.44 -2.81 0.30 0.00 1.25 0.00 0.00 42.46 40.76 1aoi s ILE 79 CO 0.51 -0.01 1.72 -0.65 0.24 0.00 0.00 174.94 176.75 1aoi h PRO 80 N 2.08 0.52 -0.80 0.37 0.11 -1.89 -0.02 132.00 132.38 1aoi h PRO 80 Ca -0.41 -0.03 0.13 0.00 0.11 0.00 0.00 66.00 65.79 1aoi h PRO 80 Cb 1.24 -0.12 -0.06 0.00 0.11 0.00 0.00 31.00 32.18 1aoi h PRO 80 CO 0.71 0.34 0.52 -0.09 -0.21 0.00 0.00 178.00 179.27 1aoi h ARG 81 N 0.53 0.58 -0.43 1.05 2.43 -1.81 0.90 114.38 117.63 1aoi h ARG 81 Ca 0.60 -0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 59.64 1aoi h ARG 81 Cb 1.10 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.50 1aoi h ARG 81 CO -0.48 0.39 -0.12 0.45 -1.51 0.00 0.00 179.97 178.70 1aoi h HIS 82 N 0.60 0.85 -0.14 2.20 3.86 -1.34 -0.65 115.15 120.53 1aoi h HIS 82 Ca 0.38 -0.16 -0.02 0.00 -1.16 0.00 0.00 60.37 59.42 1aoi h HIS 82 Cb 0.65 -0.22 -0.01 0.00 1.06 0.00 0.00 27.41 28.90 1aoi h HIS 82 CO -0.00 0.85 0.01 -0.07 0.86 0.00 0.00 177.93 179.58 1aoi h LEU 83 N 0.70 0.23 0.25 2.43 3.38 -0.76 -1.24 115.31 120.29 1aoi h LEU 83 Ca 0.12 -0.28 0.01 0.00 0.09 0.00 0.00 57.88 57.81 1aoi h LEU 83 Cb 0.60 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 1aoi h LEU 83 CO 0.04 0.45 -0.29 1.56 0.09 0.00 0.00 178.44 180.28 1aoi h GLN 84 N -0.00 -0.57 -0.23 1.13 1.08 -0.86 -1.09 115.11 114.56 1aoi h GLN 84 Ca 0.04 0.04 0.06 0.00 -1.45 0.00 0.00 58.65 57.34 1aoi h GLN 84 Cb 0.32 0.13 -0.07 0.00 -0.05 0.00 0.00 27.48 27.81 1aoi h GLN 84 CO 0.00 -0.38 -0.26 -0.07 -0.95 0.00 0.00 178.83 177.18 1aoi h LEU 85 N -0.59 -0.82 -0.42 1.46 3.38 -1.12 0.15 115.31 117.36 1aoi h LEU 85 Ca -0.00 0.14 0.08 0.00 0.09 0.00 0.00 57.88 58.19 1aoi h LEU 85 Cb 0.56 0.38 -0.07 0.00 0.09 0.00 0.00 40.66 41.62 1aoi h LEU 85 CO -0.09 -0.29 -0.04 0.00 0.09 0.00 0.00 178.44 178.11 1aoi h ALA 86 N 0.74 0.34 0.69 1.53 0.00 -0.89 -0.42 119.26 121.25 1aoi h ALA 86 Ca 0.13 0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 1aoi h ALA 86 Cb 0.47 0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.52 1aoi h ALA 86 CO -0.39 -0.42 -0.33 0.28 0.00 0.00 0.00 179.25 178.39 1aoi h VAL 87 N 0.06 0.04 -0.09 0.00 2.07 -0.83 -3.01 116.25 114.50 1aoi h VAL 87 Ca 0.20 -0.31 0.03 0.00 0.82 0.00 0.00 66.70 67.44 1aoi h VAL 87 Cb 0.30 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.13 1aoi h VAL 87 CO -0.38 0.01 0.11 0.03 0.02 0.00 0.00 177.57 177.36 1aoi h ARG 88 N -1.23 0.00 0.00 1.57 2.47 -0.62 -0.50 114.38 116.07 1aoi h ARG 88 Ca -0.09 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.63 1aoi h ARG 88 Cb 0.72 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.04 1aoi h ARG 88 CO 0.16 0.00 -0.36 0.09 0.56 0.00 0.00 179.97 180.42 1aoi n ASN 89 N -3.81 0.41 -4.43 7.04 3.02 -0.18 -4.75 115.26 112.56 1aoi n ASN 89 Ca -0.01 0.05 -0.36 0.00 -0.03 0.00 0.00 54.58 54.23 1aoi n ASN 89 Cb 0.21 -0.02 -0.13 0.00 -0.61 0.00 0.00 39.78 39.24 1aoi n ASN 89 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1aoi s ASP 90 N -3.25 5.02 0.20 6.41 2.15 -0.20 -5.01 116.67 121.99 1aoi s ASP 90 Ca 0.11 -0.23 -0.11 0.00 0.43 0.00 0.00 52.55 52.75 1aoi s ASP 90 Cb 0.17 -1.90 0.24 0.00 -0.30 0.00 0.00 42.92 41.13 1aoi s ASP 90 CO 0.65 -0.03 1.73 -0.33 -0.17 0.00 0.00 175.17 177.02 1aoi h GLU 91 N 8.18 0.31 -0.13 4.34 5.08 -1.85 0.39 114.58 130.90 1aoi h GLU 91 Ca -0.39 -0.02 -0.10 0.00 -1.00 0.00 0.00 59.36 57.86 1aoi h GLU 91 Cb 1.17 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1aoi h GLU 91 CO 0.58 0.21 -0.30 0.93 -1.00 0.00 0.00 179.01 179.43 1aoi h GLU 92 N 0.32 0.44 -0.61 2.33 5.08 -1.95 -1.14 114.58 119.06 1aoi h GLU 92 Ca 0.28 -0.29 -0.06 0.00 -1.00 0.00 0.00 59.36 58.28 1aoi h GLU 92 Cb 0.36 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.63 1aoi h GLU 92 CO -0.32 0.90 0.13 -0.07 -1.00 0.00 0.00 179.01 178.65 1aoi h LEU 93 N 0.04 0.91 -0.92 1.33 3.38 -1.80 -0.33 115.31 117.91 1aoi h LEU 93 Ca 0.00 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 1aoi h LEU 93 Cb 0.90 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.37 1aoi h LEU 93 CO 0.07 0.90 0.54 -1.13 0.09 0.00 0.00 178.44 178.90 1aoi h ASN 94 N 0.92 1.12 0.49 -0.43 -1.24 -0.81 -0.60 115.58 115.02 1aoi h ASN 94 Ca 0.19 -0.08 -0.02 0.00 0.71 0.00 0.00 56.30 57.10 1aoi h ASN 94 Cb 0.36 -0.28 0.00 0.00 0.73 0.00 0.00 38.32 39.13 1aoi h ASN 94 CO 0.00 0.87 -0.24 0.50 -1.29 0.00 0.00 177.43 177.28 1aoi h LYS 95 N 1.28 -0.64 -0.88 6.67 3.64 -0.59 -1.67 116.57 124.38 1aoi h LYS 95 Ca 0.33 0.04 0.22 0.00 -1.27 0.00 0.00 60.65 59.98 1aoi h LYS 95 Cb -0.03 0.14 -0.05 0.00 -0.41 0.00 0.00 32.23 31.88 1aoi h LYS 95 CO -0.06 -0.33 0.61 1.25 -2.27 0.00 0.00 179.45 178.64 1aoi h LEU 96 N -0.91 0.23 -3.39 5.20 5.85 -0.82 0.00 115.31 121.47 1aoi h LEU 96 Ca -0.07 0.03 -0.26 0.00 0.84 0.00 0.00 57.88 58.42 1aoi h LEU 96 Cb 0.60 -0.02 -0.18 0.00 0.37 0.00 0.00 40.66 41.42 1aoi h LEU 96 CO 0.11 0.09 -0.44 0.18 -0.34 0.00 0.00 178.44 178.04 1aoi n LEU 97 N -4.41 4.05 0.00 2.25 4.77 -0.26 -4.79 117.00 118.61 1aoi n LEU 97 Ca 0.19 -4.18 0.10 0.00 -0.03 0.00 0.00 56.01 52.08 1aoi n LEU 97 Cb 0.80 -0.52 0.46 0.00 -2.33 0.00 0.00 43.42 41.84 1aoi n LEU 97 CO 0.34 1.62 0.81 0.61 -1.33 0.00 0.00 177.39 179.44 1aoi n GLY 98 N -0.98 -1.08 0.35 -0.72 0.00 -0.02 -2.42 105.19 100.34 1aoi n GLY 98 Ca 0.33 -0.08 0.07 0.00 0.00 0.00 0.00 46.02 46.34 1aoi n GLY 98 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aoi n ARG 99 N -1.40 1.01 -5.06 1.61 5.12 -1.26 -5.03 116.66 111.65 1aoi n ARG 99 Ca 0.07 -2.38 -0.32 0.00 -1.93 0.00 0.00 57.85 53.29 1aoi n ARG 99 Cb 0.20 -1.23 -0.15 0.00 -1.16 0.00 0.00 32.46 30.12 1aoi n ARG 99 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1aoi s VAL 100 N -2.20 2.53 -0.24 1.55 1.01 -1.01 -5.11 120.40 116.93 1aoi s VAL 100 Ca 0.27 -0.89 -0.02 0.00 0.00 0.00 0.00 61.98 61.35 1aoi s VAL 100 Cb 0.25 -1.98 0.02 0.00 0.00 0.00 0.00 36.38 34.67 1aoi s VAL 100 CO -0.01 0.56 -0.07 0.28 0.00 0.00 0.00 175.10 175.87 1aoi s THR 101 N -0.13 2.93 -0.51 3.92 -1.32 -1.26 -5.03 115.64 114.23 1aoi s THR 101 Ca -0.03 -0.90 -0.26 0.00 -1.21 0.00 0.00 61.69 59.28 1aoi s THR 101 Cb -0.14 -2.43 0.03 0.00 -1.51 0.00 0.00 72.50 68.45 1aoi s THR 101 CO 0.04 0.27 1.03 -0.63 -2.21 0.00 0.00 174.62 173.12 1aoi s ILE 102 N 1.36 4.30 0.55 5.08 1.01 -1.26 -5.03 121.20 127.20 1aoi s ILE 102 Ca 0.02 0.74 -0.20 0.00 0.00 0.00 0.00 60.65 61.20 1aoi s ILE 102 Cb -0.16 -4.56 -0.06 0.00 0.01 0.00 0.00 42.46 37.69 1aoi s ILE 102 CO -0.05 -1.05 1.06 0.00 0.00 0.00 0.00 174.94 174.90 1aoi n ALA 103 N 7.65 0.51 -2.26 9.38 0.00 -1.26 -2.51 120.51 132.02 1aoi n ALA 103 Ca 0.07 0.08 -0.16 0.00 0.00 0.00 0.00 53.44 53.43 1aoi n ALA 103 Cb 0.48 -2.16 -0.02 0.00 0.00 0.00 0.00 19.45 17.76 1aoi n ALA 103 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1aoi n GLN 104 N -0.75 -1.88 0.01 0.00 1.13 -1.26 -4.86 117.38 109.77 1aoi n GLN 104 Ca 0.12 0.81 0.11 0.00 -1.94 0.00 0.00 57.00 56.10 1aoi n GLN 104 Cb 0.45 -5.38 -0.14 0.00 0.11 0.00 0.00 30.24 25.29 1aoi n GLN 104 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1aoi n GLY 105 N -0.79 -1.08 7.00 1.08 0.00 -1.05 -3.70 105.19 106.65 1aoi n GLY 105 Ca -0.18 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.36 1aoi n GLY 105 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aoi n GLY 106 N 1.26 0.21 3.32 -0.02 0.00 -1.26 -4.60 105.19 104.10 1aoi n GLY 106 Ca -0.03 -0.92 -0.17 0.00 0.00 0.00 0.00 46.02 44.90 1aoi n GLY 106 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1aoi s VAL 107 N 0.00 1.11 0.15 1.61 -7.23 -1.26 -5.03 120.40 109.74 1aoi s VAL 107 Ca 0.00 -2.05 -0.30 0.00 -1.81 0.00 0.00 61.98 57.82 1aoi s VAL 107 Cb 0.00 -2.26 -0.07 0.00 0.56 0.00 0.00 36.38 34.62 1aoi s VAL 107 CO 0.00 -0.40 1.06 -0.76 -0.31 0.00 0.00 175.10 174.69 1aoi s LEU 108 N -3.29 4.48 -0.05 1.32 1.43 -1.26 -4.96 118.68 116.35 1aoi s LEU 108 Ca 0.26 1.99 -0.30 0.00 -1.03 0.00 0.00 54.13 55.05 1aoi s LEU 108 Cb 0.05 -3.60 -0.05 0.00 0.03 0.00 0.00 46.19 42.62 1aoi s LEU 108 CO 0.07 -0.19 1.59 -2.16 0.23 0.00 0.00 176.35 175.90 1aoi s PRO 109 N -0.12 4.20 -0.29 1.29 0.04 -1.26 -4.95 135.00 133.91 1aoi s PRO 109 Ca 0.49 2.13 -0.01 0.00 0.04 0.00 0.00 61.00 63.65 1aoi s PRO 109 Cb -0.27 -3.90 0.18 0.00 0.04 0.00 0.00 34.50 30.54 1aoi s PRO 109 CO 0.33 -0.80 0.55 1.21 0.04 0.00 0.00 177.00 178.32 1aoi s ASN 110 N 3.03 -1.00 -0.19 6.66 2.47 -1.26 -5.15 114.94 119.50 1aoi s ASN 110 Ca 0.71 0.73 -0.07 0.00 0.42 0.00 0.00 52.86 54.65 1aoi s ASN 110 Cb -0.32 1.92 -0.04 0.00 -1.45 0.00 0.00 41.25 41.36 1aoi s ASN 110 CO 0.28 -0.27 0.04 -0.63 -3.72 0.00 0.00 177.10 172.81 1aoi s ILE 111 N 2.78 4.49 0.26 -5.21 1.01 -1.26 -5.07 121.20 118.20 1aoi s ILE 111 Ca 0.19 -0.13 -0.31 0.00 0.00 0.00 0.00 60.65 60.40 1aoi s ILE 111 Cb -0.15 -3.03 -0.12 0.00 0.01 0.00 0.00 42.46 39.17 1aoi s ILE 111 CO -0.20 0.43 1.63 0.00 0.00 0.00 0.00 174.94 176.81 1aoi n GLN 112 N 3.90 2.70 -0.27 2.79 1.13 -1.26 -4.88 117.38 121.48 1aoi n GLN 112 Ca -0.17 0.97 0.08 0.00 -1.94 0.00 0.00 57.00 55.94 1aoi n GLN 112 Cb 0.52 -2.77 0.20 0.00 0.11 0.00 0.00 30.24 28.30 1aoi n GLN 112 CO 0.00 0.00 0.00 0.77 -1.44 0.00 0.00 177.06 176.39 1aoi h SER 113 N 5.39 -0.25 0.00 1.08 0.02 -1.98 -1.17 113.55 116.64 1aoi h SER 113 Ca -0.46 0.20 0.00 0.00 -0.84 0.00 0.00 61.79 60.69 1aoi h SER 113 Cb 1.22 0.33 0.00 0.00 0.14 0.00 0.00 62.40 64.08 1aoi h SER 113 CO 0.84 -0.17 0.00 1.33 -1.14 0.00 0.00 176.83 177.69 1aoi n VAL 114 N -5.31 0.00 0.32 2.27 0.24 -1.26 -1.94 118.33 112.65 1aoi n VAL 114 Ca 0.16 0.00 0.11 0.00 -2.04 0.00 0.00 64.34 62.57 1aoi n VAL 114 Cb 0.54 -0.64 -0.13 0.00 -1.47 0.00 0.00 33.84 32.13 1aoi n VAL 114 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1aoi n LEU 115 N -0.86 0.36 -4.79 1.34 4.77 -0.44 -4.96 117.00 112.42 1aoi n LEU 115 Ca 0.07 -0.13 -0.32 0.00 -0.03 0.00 0.00 56.01 55.61 1aoi n LEU 115 Cb 0.03 -0.01 0.05 0.00 -2.33 0.00 0.00 43.42 41.16 1aoi n LEU 115 CO 0.05 0.07 0.71 -0.76 -1.33 0.00 0.00 177.39 176.14 1aoi s LEU 116 N -4.08 3.25 0.00 2.23 1.43 -0.82 -5.05 118.68 115.65 1aoi s LEU 116 Ca -0.02 1.78 -0.17 0.00 -1.03 0.00 0.00 54.13 54.69 1aoi s LEU 116 Cb 0.14 -4.52 0.26 0.00 0.03 0.00 0.00 46.19 42.10 1aoi s LEU 116 CO 0.89 -1.53 0.75 -2.65 0.23 0.00 0.00 176.35 174.03 1aoi n PRO 117 N -2.79 -3.31 0.00 1.29 -0.02 -1.26 -5.10 135.00 123.81 1aoi n PRO 117 Ca 0.09 -1.22 0.00 0.00 -2.02 0.00 0.00 63.50 60.34 1aoi n PRO 117 Cb 0.53 -1.32 0.00 0.00 -0.02 0.00 0.00 33.50 32.69 1aoi n PRO 117 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65