#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2atr s THR 3 N 0.00 4.55 -0.27 1.39 2.01 0.46 -4.92 115.64 118.87 2atr s THR 3 Ca 0.00 -0.13 -0.06 0.00 0.31 0.00 0.00 61.69 61.81 2atr s THR 3 Cb 0.00 -2.99 0.00 0.00 0.01 0.00 0.00 72.50 69.52 2atr s THR 3 CO 0.00 0.53 0.04 -0.63 -0.69 0.00 0.00 174.62 173.87 2atr s ILE 4 N -0.18 3.81 -0.12 1.82 -1.09 -1.26 -0.52 121.20 123.65 2atr s ILE 4 Ca 0.06 -0.59 0.01 0.00 -2.23 0.00 0.00 60.65 57.91 2atr s ILE 4 Cb -0.12 -2.88 0.02 0.00 -1.58 0.00 0.00 42.46 37.89 2atr s ILE 4 CO 0.02 0.21 -0.14 -0.54 -1.23 0.00 0.00 174.94 173.25 2atr s LYS 5 N 1.50 2.17 0.28 2.79 1.02 -0.48 -4.99 119.74 122.03 2atr s LYS 5 Ca 0.04 -0.53 -0.30 0.00 0.02 0.00 0.00 55.97 55.20 2atr s LYS 5 Cb -0.16 -1.91 -0.10 0.00 -0.52 0.00 0.00 37.83 35.13 2atr s LYS 5 CO 0.01 -0.13 1.44 0.21 -0.92 0.00 0.00 175.35 175.96 2atr s LYS 6 N 1.19 4.26 -0.09 1.68 2.20 -1.26 -0.56 119.74 127.15 2atr s LYS 6 Ca -0.02 2.33 0.04 0.00 -0.36 0.00 0.00 55.97 57.96 2atr s LYS 6 Cb -0.14 -3.09 -0.01 0.00 -1.51 0.00 0.00 37.83 33.09 2atr s LYS 6 CO -0.05 -0.41 -0.22 -1.14 -0.36 0.00 0.00 175.35 173.17 2atr s GLN 7 N -0.74 2.90 -0.24 4.03 2.00 -0.07 -4.94 119.66 122.59 2atr s GLN 7 Ca 0.57 -0.86 -0.16 0.00 -2.00 0.00 0.00 55.36 52.92 2atr s GLN 7 Cb -0.42 -2.30 -0.16 0.00 0.80 0.00 0.00 33.01 30.93 2atr s GLN 7 CO 0.47 0.27 -0.07 -0.85 -0.50 0.00 0.00 175.29 174.62 2atr n GLU 8 N 3.27 0.59 -4.22 1.67 0.28 -1.26 -4.19 120.64 116.79 2atr n GLU 8 Ca -0.18 0.39 -0.34 0.00 -0.16 0.00 0.00 57.16 56.87 2atr n GLU 8 Cb 0.53 -1.62 -0.14 0.00 1.43 0.00 0.00 31.44 31.64 2atr n GLU 8 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 2atr s ILE 9 N -2.45 3.23 -0.19 3.84 1.01 -1.26 -5.04 121.20 120.35 2atr s ILE 9 Ca -0.33 -0.56 0.01 0.00 0.00 0.00 0.00 60.65 59.77 2atr s ILE 9 Cb 0.10 -2.43 0.03 0.00 0.01 0.00 0.00 42.46 40.17 2atr s ILE 9 CO 0.55 0.47 -0.16 -0.69 0.00 0.00 0.00 174.94 175.11 2atr s VAL 10 N 1.04 1.92 0.07 2.92 1.01 -1.26 -5.11 120.40 120.99 2atr s VAL 10 Ca 0.00 -0.99 -0.16 0.00 0.00 0.00 0.00 61.98 60.83 2atr s VAL 10 Cb -0.15 -1.83 -0.06 0.00 0.00 0.00 0.00 36.38 34.35 2atr s VAL 10 CO -0.01 0.39 0.50 -0.54 0.00 0.00 0.00 175.10 175.44 2atr s LYS 11 N 1.32 4.02 0.24 2.72 1.02 -1.26 -4.78 119.74 123.02 2atr s LYS 11 Ca 0.02 0.53 -0.06 0.00 0.02 0.00 0.00 55.97 56.48 2atr s LYS 11 Cb -0.14 -3.13 0.28 0.00 -0.52 0.00 0.00 37.83 34.31 2atr s LYS 11 CO -0.11 0.61 1.90 1.25 -0.92 0.00 0.00 175.35 178.08 2atr h LEU 12 N 4.26 1.03 -0.97 3.17 5.85 -1.95 -2.55 115.31 124.16 2atr h LEU 12 Ca -0.50 -0.01 0.25 0.00 0.84 0.00 0.00 57.88 58.46 2atr h LEU 12 Cb 1.21 -0.24 -0.13 0.00 0.37 0.00 0.00 40.66 41.87 2atr h LEU 12 CO 0.64 0.72 0.52 -0.33 -0.34 0.00 0.00 178.44 179.65 2atr h GLU 13 N 1.21 0.46 0.00 1.25 3.07 -2.00 0.50 114.58 119.08 2atr h GLU 13 Ca 0.36 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 59.20 2atr h GLU 13 Cb -0.05 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 27.76 2atr h GLU 13 CO -0.11 0.30 0.00 -0.44 -1.40 0.00 0.00 179.01 177.37 2atr h ASP 14 N 0.47 0.00 0.00 1.42 3.32 -1.88 -3.31 116.42 116.45 2atr h ASP 14 Ca 0.63 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.68 2atr h ASP 14 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.80 2atr h ASP 14 CO -0.52 0.00 0.00 1.33 -1.72 0.00 0.00 179.24 178.33 2atr n VAL 15 N -2.78 0.00 -0.23 -1.35 0.24 0.33 -4.77 118.33 109.77 2atr n VAL 15 Ca 0.03 -0.46 0.03 0.00 -2.04 0.00 0.00 64.34 61.90 2atr n VAL 15 Cb 0.37 1.05 0.27 0.00 -1.47 0.00 0.00 33.84 34.07 2atr n VAL 15 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 2atr h LEU 16 N 0.00 0.82 -1.65 1.34 5.85 -0.22 0.94 115.31 122.38 2atr h LEU 16 Ca 0.00 -0.01 0.16 0.00 0.84 0.00 0.00 57.88 58.88 2atr h LEU 16 Cb 0.03 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 40.82 2atr h LEU 16 CO 0.00 0.56 0.51 1.12 -0.34 0.00 0.00 178.44 180.29 2atr h HIS 17 N 0.95 0.40 -0.06 1.25 2.07 -1.84 0.97 115.15 118.89 2atr h HIS 17 Ca 0.31 0.01 -0.02 0.00 -2.85 0.00 0.00 60.37 57.83 2atr h HIS 17 Cb 0.06 -0.12 -0.00 0.00 2.57 0.00 0.00 27.41 29.91 2atr h HIS 17 CO -0.00 0.14 -0.02 -0.07 -3.07 0.00 0.00 177.93 174.91 2atr h LEU 18 N 0.33 0.13 -0.26 6.12 3.38 -1.15 -0.57 115.31 123.28 2atr h LEU 18 Ca 0.37 -0.40 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 2atr h LEU 18 Cb 0.97 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 2atr h LEU 18 CO -0.10 0.50 0.09 1.88 0.09 0.00 0.00 178.44 180.89 2atr h TYR 19 N -0.25 0.42 -0.79 1.13 0.05 -1.39 -2.18 116.97 113.97 2atr h TYR 19 Ca 0.01 -0.04 0.18 0.00 0.05 0.00 0.00 58.73 58.94 2atr h TYR 19 Cb 0.45 -0.12 -0.12 0.00 1.01 0.00 0.00 36.73 37.94 2atr h TYR 19 CO 0.06 0.46 0.18 1.96 -1.05 0.00 0.00 178.16 179.77 2atr h GLN 20 N 0.26 0.24 0.00 4.88 4.20 -0.87 -0.14 115.11 123.68 2atr h GLN 20 Ca 0.09 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.78 2atr h GLN 20 Cb 0.23 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.96 2atr h GLN 20 CO -0.00 0.16 0.00 0.00 -0.67 0.00 0.00 178.83 178.31 2atr n ALA 21 N -2.70 1.09 -0.16 3.87 0.00 -0.22 -3.03 120.51 119.35 2atr n ALA 21 Ca 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.60 2atr n ALA 21 Cb 0.53 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.98 2atr n ALA 21 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2atr n VAL 22 N -1.42 0.08 0.00 0.00 0.24 -0.07 -4.85 118.33 112.31 2atr n VAL 22 Ca 0.00 -0.46 0.00 0.00 -2.04 0.00 0.00 64.34 61.84 2atr n VAL 22 Cb 0.00 1.11 0.00 0.00 -1.47 0.00 0.00 33.84 33.48 2atr n VAL 22 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2atr n GLY 23 N -0.04 1.68 3.41 7.63 0.00 -1.17 -5.11 105.19 111.60 2atr n GLY 23 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 2atr n GLY 23 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2atr s TRP 24 N 0.22 -0.47 0.00 1.61 -0.00 -1.26 -4.75 118.94 114.28 2atr s TRP 24 Ca 0.00 0.85 0.00 0.00 -0.00 0.00 0.00 56.10 56.95 2atr s TRP 24 Cb 0.00 0.28 0.00 0.00 -0.00 0.00 0.00 33.47 33.75 2atr s TRP 24 CO 0.00 -0.24 0.00 0.25 -0.00 0.00 0.00 176.95 176.96 2atr n THR 25 N 4.53 0.00 -1.59 5.86 -2.24 -1.26 -5.14 114.28 114.44 2atr n THR 25 Ca -0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 2atr n THR 25 Cb 0.54 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.77 2atr n THR 25 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2atr n ASN 26 N 0.00 0.00 -3.22 3.42 2.85 -1.26 -5.16 115.26 111.90 2atr n ASN 26 Ca 0.00 -0.84 -0.19 0.00 -0.11 0.00 0.00 54.58 53.44 2atr n ASN 26 Cb 0.00 0.00 -0.06 0.00 1.24 0.00 0.00 39.78 40.96 2atr n ASN 26 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2atr n GLU 32 N -0.84 0.50 0.00 1.20 4.71 -1.26 -5.07 120.64 119.88 2atr n GLU 32 Ca 0.00 -2.87 0.00 0.00 -0.01 0.00 0.00 57.16 54.28 2atr n GLU 32 Cb 0.00 1.91 0.00 0.00 -1.01 0.00 0.00 31.44 32.34 2atr n GLU 32 CO 0.00 0.00 0.00 -0.11 0.09 0.00 0.00 177.13 177.11 2atr n LEU 34 N 0.00 0.00 -0.12 -4.62 7.94 -1.26 -4.09 117.00 114.85 2atr n LEU 34 Ca 0.00 0.00 -0.05 0.00 -1.11 0.00 0.00 56.01 54.85 2atr n LEU 34 Cb 0.51 0.00 0.01 0.00 0.53 0.00 0.00 43.42 44.48 2atr n LEU 34 CO 0.27 0.00 0.78 -0.08 -1.11 0.00 0.00 177.39 177.25 2atr h GLU 35 N 0.00 -0.01 -0.47 1.96 4.81 -1.99 -0.73 114.58 118.15 2atr h GLU 35 Ca 0.00 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.20 2atr h GLU 35 Cb 0.00 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 2atr h GLU 35 CO 0.00 -0.01 0.15 1.96 -0.73 0.00 0.00 179.01 180.39 2atr h GLN 36 N -0.01 0.72 -0.58 1.92 1.08 -2.01 -3.23 115.11 113.00 2atr h GLN 36 Ca 0.19 -0.15 0.08 0.00 -1.45 0.00 0.00 58.65 57.32 2atr h GLN 36 Cb 0.30 -0.11 -0.07 0.00 -0.05 0.00 0.00 27.48 27.56 2atr h GLN 36 CO -0.41 0.68 0.23 0.00 -0.95 0.00 0.00 178.83 178.37 2atr h ALA 37 N 1.01 0.74 -0.42 3.87 0.00 -1.66 -2.61 119.26 120.19 2atr h ALA 37 Ca 0.15 0.07 0.12 0.00 0.00 0.00 0.00 54.91 55.25 2atr h ALA 37 Cb 0.25 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2atr h ALA 37 CO -0.01 -0.17 0.41 -0.07 0.00 0.00 0.00 179.25 179.41 2atr h LEU 38 N 0.42 0.00 0.00 0.00 3.38 -1.18 0.22 115.31 118.15 2atr h LEU 38 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 2atr h LEU 38 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 2atr h LEU 38 CO -0.27 0.00 -0.36 -1.20 0.09 0.00 0.00 178.44 176.70 2atr n SER 39 N -3.85 0.50 -0.63 -0.43 7.64 -0.99 -4.27 113.62 111.60 2atr n SER 39 Ca 0.07 0.15 0.06 0.00 1.01 0.00 0.00 58.87 60.17 2atr n SER 39 Cb 0.59 -0.10 0.18 0.00 -1.01 0.00 0.00 64.21 63.87 2atr n SER 39 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2atr n HIS 40 N -1.80 0.00 -3.49 1.43 8.25 0.77 -5.03 115.22 115.34 2atr n HIS 40 Ca 0.05 -1.31 -0.19 0.00 -0.26 0.00 0.00 57.72 56.01 2atr n HIS 40 Cb 0.38 -0.22 -0.01 0.00 1.12 0.00 0.00 29.99 31.26 2atr n HIS 40 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2atr s SER 41 N -3.03 5.90 -0.01 0.41 0.01 -1.16 -4.87 113.70 110.95 2atr s SER 41 Ca 0.36 -0.22 -0.20 0.00 1.31 0.00 0.00 55.95 57.20 2atr s SER 41 Cb 0.35 -1.19 -0.28 0.00 0.21 0.00 0.00 66.02 65.11 2atr s SER 41 CO -0.07 -0.43 1.00 -0.07 0.41 0.00 0.00 173.24 174.08 2atr h LEU 42 N 0.92 0.55 -7.02 2.44 3.38 -1.49 -3.48 115.31 110.61 2atr h LEU 42 Ca -0.45 -0.87 -0.05 0.00 0.09 0.00 0.00 57.88 56.60 2atr h LEU 42 Cb 1.26 -0.17 -0.20 0.00 0.09 0.00 0.00 40.66 41.63 2atr h LEU 42 CO 0.53 1.36 0.14 0.54 0.09 0.00 0.00 178.44 181.10 2atr s VAL 43 N -2.79 0.00 -0.04 1.22 0.11 -1.21 -5.03 120.40 112.65 2atr s VAL 43 Ca -0.13 -0.01 0.02 0.00 -2.93 0.00 0.00 61.98 58.92 2atr s VAL 43 Cb 0.02 -0.98 0.02 0.00 -1.53 0.00 0.00 36.38 33.91 2atr s VAL 43 CO 0.84 -0.01 -0.07 -0.63 -3.33 0.00 0.00 175.10 171.91 2atr s ILE 44 N -0.44 0.70 0.02 7.04 1.01 -1.26 -1.83 121.20 126.44 2atr s ILE 44 Ca -0.06 -0.24 0.06 0.00 0.00 0.00 0.00 60.65 60.41 2atr s ILE 44 Cb -0.02 -0.68 -0.03 0.00 0.01 0.00 0.00 42.46 41.73 2atr s ILE 44 CO 0.05 0.25 -0.16 -0.31 0.00 0.00 0.00 174.94 174.78 2atr s TYR 45 N 0.71 2.62 0.10 3.97 2.02 -0.95 -0.90 117.35 124.93 2atr s TYR 45 Ca -0.11 -0.22 0.06 0.00 -0.37 0.00 0.00 57.07 56.43 2atr s TYR 45 Cb -0.14 -1.52 -0.04 0.00 -0.40 0.00 0.00 41.96 39.87 2atr s TYR 45 CO 0.01 0.24 -0.05 -0.51 -1.57 0.00 0.00 175.55 173.68 2atr s LEU 46 N -1.26 3.26 -0.20 -1.29 1.43 0.28 -1.44 118.68 119.45 2atr s LEU 46 Ca 0.14 -0.28 -0.10 0.00 -1.03 0.00 0.00 54.13 52.86 2atr s LEU 46 Cb -0.11 -2.02 -0.05 0.00 0.03 0.00 0.00 46.19 44.05 2atr s LEU 46 CO 0.04 0.17 0.12 0.00 0.23 0.00 0.00 176.35 176.92 2atr s ALA 47 N -1.27 3.62 -0.05 4.21 0.00 -0.02 -1.39 121.76 126.87 2atr s ALA 47 Ca 0.24 -0.73 0.05 0.00 0.00 0.00 0.00 51.96 51.51 2atr s ALA 47 Cb -0.11 -2.14 -0.00 0.00 0.00 0.00 0.00 23.12 20.86 2atr s ALA 47 CO 0.16 0.11 -0.18 -0.51 0.00 0.00 0.00 175.76 175.34 2atr s LEU 48 N 0.46 1.94 -0.53 0.00 1.02 0.32 -0.36 118.68 121.52 2atr s LEU 48 Ca 0.07 -0.38 -0.04 0.00 0.02 0.00 0.00 54.13 53.80 2atr s LEU 48 Cb -0.12 -1.04 0.14 0.00 0.02 0.00 0.00 46.19 45.19 2atr s LEU 48 CO -0.01 0.16 0.34 -0.62 0.02 0.00 0.00 176.35 176.25 2atr s ASP 49 N 0.03 5.31 1.95 2.29 2.15 0.06 -0.40 116.67 128.05 2atr s ASP 49 Ca -0.04 -2.43 0.00 0.00 0.43 0.00 0.00 52.55 50.51 2atr s ASP 49 Cb -0.12 -1.86 0.00 0.00 -0.30 0.00 0.00 42.92 40.64 2atr s ASP 49 CO 0.03 -0.47 0.00 0.61 -0.17 0.00 0.00 175.17 175.16 2atr n GLY 50 N 4.08 4.19 0.08 2.66 0.00 -1.26 -0.53 105.19 114.41 2atr n GLY 50 Ca 0.02 0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.26 2atr n GLY 50 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2atr n ASP 51 N 8.52 0.68 -4.69 1.61 8.00 -1.26 -4.91 116.55 124.50 2atr n ASP 51 Ca 0.00 -0.47 -0.42 0.00 0.71 0.00 0.00 54.79 54.61 2atr n ASP 51 Cb 0.00 0.23 -0.03 0.00 -0.02 0.00 0.00 41.12 41.30 2atr n ASP 51 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2atr s ALA 52 N -2.84 3.51 -0.43 2.24 0.00 0.31 -5.00 121.76 119.54 2atr s ALA 52 Ca 0.15 0.75 -0.29 0.00 0.00 0.00 0.00 51.96 52.57 2atr s ALA 52 Cb 0.18 -3.53 0.02 0.00 0.00 0.00 0.00 23.12 19.80 2atr s ALA 52 CO 0.65 -0.75 1.16 0.08 0.00 0.00 0.00 175.76 176.90 2atr s VAL 53 N 2.06 4.22 -0.41 0.00 1.01 -1.26 -0.76 120.40 125.26 2atr s VAL 53 Ca 0.59 1.29 0.05 0.00 0.00 0.00 0.00 61.98 63.91 2atr s VAL 53 Cb -0.28 -4.51 -0.02 0.00 0.00 0.00 0.00 36.38 31.57 2atr s VAL 53 CO 0.25 -0.87 0.38 1.33 0.00 0.00 0.00 175.10 176.18 2atr n VAL 54 N 6.67 0.00 -3.51 2.92 0.24 0.51 -4.94 118.33 120.21 2atr n VAL 54 Ca 0.13 -0.42 -0.13 0.00 -2.04 0.00 0.00 64.34 61.88 2atr n VAL 54 Cb 0.48 1.04 -0.04 0.00 -1.47 0.00 0.00 33.84 33.85 2atr n VAL 54 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2atr s GLY 55 N -1.16 -0.48 -0.05 7.63 0.00 -1.09 -1.08 107.32 111.10 2atr s GLY 55 Ca 0.04 1.28 -0.10 0.00 0.00 0.00 0.00 44.72 45.94 2atr s GLY 55 CO 0.17 0.68 0.23 -2.27 0.00 0.00 0.00 173.10 171.91 2atr s LEU 56 N -1.76 1.17 -0.01 0.66 0.20 0.66 -0.84 118.68 118.76 2atr s LEU 56 Ca -0.03 0.19 0.05 0.00 0.69 0.00 0.00 54.13 55.04 2atr s LEU 56 Cb -0.01 0.88 -0.01 0.00 -0.43 0.00 0.00 46.19 46.63 2atr s LEU 56 CO -0.01 -0.25 -0.15 -0.51 -0.29 0.00 0.00 176.35 175.14 2atr s ILE 57 N -0.64 1.18 -0.06 6.68 2.07 -0.52 -0.73 121.20 129.18 2atr s ILE 57 Ca -0.07 -0.64 -0.01 0.00 -1.41 0.00 0.00 60.65 58.51 2atr s ILE 57 Cb -0.04 -0.99 0.03 0.00 0.13 0.00 0.00 42.46 41.59 2atr s ILE 57 CO 0.02 0.33 0.01 -0.60 -1.91 0.00 0.00 174.94 172.79 2atr s ARG 58 N -0.36 0.43 0.03 3.50 3.52 0.14 -2.23 118.95 123.98 2atr s ARG 58 Ca 0.06 0.16 0.02 0.00 -0.13 0.00 0.00 55.73 55.84 2atr s ARG 58 Cb -0.06 -0.82 -0.04 0.00 -1.56 0.00 0.00 34.95 32.47 2atr s ARG 58 CO -0.01 -0.29 0.03 -0.51 -0.81 0.00 0.00 175.30 173.72 2atr s LEU 59 N 1.91 3.65 0.19 -0.88 1.43 -0.76 -0.40 118.68 123.82 2atr s LEU 59 Ca 0.03 -0.00 0.01 0.00 -1.03 0.00 0.00 54.13 53.14 2atr s LEU 59 Cb -0.12 -2.20 -0.05 0.00 0.03 0.00 0.00 46.19 43.85 2atr s LEU 59 CO -0.04 0.24 0.06 0.68 0.23 0.00 0.00 176.35 177.52 2atr s VAL 60 N -1.21 0.39 -1.46 -1.59 -7.23 -0.39 -1.23 120.40 107.68 2atr s VAL 60 Ca 0.23 -1.97 0.00 0.00 -1.81 0.00 0.00 61.98 58.43 2atr s VAL 60 Cb -0.12 -2.33 0.00 0.00 0.56 0.00 0.00 36.38 34.50 2atr s VAL 60 CO 0.15 -0.25 0.00 0.61 -0.31 0.00 0.00 175.10 175.30 2atr n GLY 61 N -0.28 0.50 0.09 2.32 0.00 -1.26 -0.02 105.19 106.55 2atr n GLY 61 Ca -0.03 -2.19 0.12 0.00 0.00 0.00 0.00 46.02 43.93 2atr n GLY 61 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2atr h ASP 62 N 0.00 0.00 0.00 1.61 3.04 -1.50 -3.45 116.42 116.11 2atr h ASP 62 Ca 0.00 -0.12 0.00 0.00 -3.24 0.00 0.00 57.03 53.67 2atr h ASP 62 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 2atr h ASP 62 CO 0.00 0.06 0.00 0.61 -2.04 0.00 0.00 179.24 177.87 2atr n GLY 63 N 1.28 0.85 1.51 7.15 0.00 -0.81 -4.81 105.19 110.36 2atr n GLY 63 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2atr n GLY 63 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2atr n PHE 64 N -2.10 -0.99 0.04 1.61 3.72 -1.26 -4.78 117.46 113.69 2atr n PHE 64 Ca 0.00 0.18 -0.06 0.00 -0.05 0.00 0.00 57.45 57.52 2atr n PHE 64 Cb 0.00 0.28 -0.11 0.00 -0.94 0.00 0.00 39.48 38.72 2atr n PHE 64 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 2atr h SER 65 N 0.00 0.00 -3.31 4.37 0.02 -1.92 -0.51 113.55 112.19 2atr h SER 65 Ca 0.00 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.77 2atr h SER 65 Cb 0.00 0.00 -0.29 0.00 0.14 0.00 0.00 62.40 62.25 2atr h SER 65 CO 0.00 0.89 -0.44 -0.94 -1.14 0.00 0.00 176.83 175.20 2atr s SER 66 N -6.36 -0.32 -0.02 3.07 1.04 -1.26 -1.32 113.70 108.53 2atr s SER 66 Ca -0.01 0.62 0.03 0.00 0.48 0.00 0.00 55.95 57.06 2atr s SER 66 Cb 0.09 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.71 2atr s SER 66 CO 0.81 -0.17 -0.10 -0.69 0.98 0.00 0.00 173.24 174.07 2atr s VAL 67 N 1.30 0.86 -0.04 5.02 1.01 -0.93 -1.04 120.40 126.58 2atr s VAL 67 Ca -0.09 -0.41 0.04 0.00 0.00 0.00 0.00 61.98 61.51 2atr s VAL 67 Cb -0.10 -0.75 -0.00 0.00 0.00 0.00 0.00 36.38 35.53 2atr s VAL 67 CO -0.10 0.26 -0.16 -0.36 0.00 0.00 0.00 175.10 174.75 2atr s PHE 68 N 0.11 1.61 -0.78 5.22 0.08 0.97 -1.65 117.98 123.55 2atr s PHE 68 Ca -0.02 -0.47 -0.25 0.00 0.12 0.00 0.00 56.93 56.31 2atr s PHE 68 Cb -0.08 -1.10 0.05 0.00 -0.57 0.00 0.00 43.02 41.32 2atr s PHE 68 CO 0.00 -0.17 1.22 0.08 -0.10 0.00 0.00 175.22 176.25 2atr s VAL 69 N 0.12 3.98 -0.15 -0.44 1.01 -0.47 -1.26 120.40 123.19 2atr s VAL 69 Ca -0.05 -0.12 -0.25 0.00 0.00 0.00 0.00 61.98 61.56 2atr s VAL 69 Cb -0.12 -4.87 -0.22 0.00 0.00 0.00 0.00 36.38 31.17 2atr s VAL 69 CO 0.02 -1.75 0.57 -0.61 0.00 0.00 0.00 175.10 173.33 2atr h GLN 70 N 9.79 0.00 -5.26 2.72 5.75 -1.06 -3.42 115.11 123.63 2atr h GLN 70 Ca -0.17 0.00 -0.60 0.00 -0.15 0.00 0.00 58.65 57.72 2atr h GLN 70 Cb 1.05 0.00 -0.32 0.00 1.07 0.00 0.00 27.48 29.27 2atr h GLN 70 CO 1.27 0.90 -0.85 -0.51 -2.65 0.00 0.00 178.83 176.99 2atr s ASP 71 N -6.30 2.48 -0.18 -0.69 1.01 -0.90 -4.98 116.67 107.12 2atr s ASP 71 Ca -0.20 -0.42 -0.02 0.00 0.71 0.00 0.00 52.55 52.62 2atr s ASP 71 Cb -0.01 -0.91 0.05 0.00 1.01 0.00 0.00 42.92 43.07 2atr s ASP 71 CO 0.61 0.14 0.02 -0.22 0.21 0.00 0.00 175.17 175.93 2atr s LEU 72 N 0.23 1.19 -0.06 1.23 2.96 -1.26 -0.68 118.68 122.28 2atr s LEU 72 Ca -0.10 -0.72 0.01 0.00 -0.22 0.00 0.00 54.13 53.10 2atr s LEU 72 Cb -0.15 -0.62 0.02 0.00 0.50 0.00 0.00 46.19 45.94 2atr s LEU 72 CO 0.05 -0.28 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.09 2atr s ILE 73 N 1.84 0.81 -0.03 6.68 1.01 0.09 -5.00 121.20 126.60 2atr s ILE 73 Ca -0.00 -0.26 0.07 0.00 0.00 0.00 0.00 60.65 60.46 2atr s ILE 73 Cb -0.16 -0.80 -0.02 0.00 0.01 0.00 0.00 42.46 41.50 2atr s ILE 73 CO -0.07 0.29 -0.24 -0.69 0.00 0.00 0.00 174.94 174.23 2atr s VAL 74 N 0.99 1.92 -0.01 2.92 1.01 -1.26 -0.24 120.40 125.72 2atr s VAL 74 Ca -0.09 -1.02 -0.36 0.00 0.00 0.00 0.00 61.98 60.50 2atr s VAL 74 Cb -0.15 -1.60 -0.15 0.00 0.00 0.00 0.00 36.38 34.48 2atr s VAL 74 CO 0.00 0.54 1.59 0.18 0.00 0.00 0.00 175.10 177.41 2atr n LEU 75 N 2.66 2.48 0.00 3.92 4.77 -0.24 -4.77 117.00 125.83 2atr n LEU 75 Ca -0.16 1.07 0.01 0.00 -0.03 0.00 0.00 56.01 56.90 2atr n LEU 75 Cb 0.52 -1.27 0.04 0.00 -2.33 0.00 0.00 43.42 40.38 2atr n LEU 75 CO 0.24 -0.55 0.51 -2.65 -1.33 0.00 0.00 177.39 173.62 2atr n PRO 76 N 4.14 0.00 0.08 3.23 -0.02 -1.26 -0.41 135.00 140.76 2atr n PRO 76 Ca 0.21 0.44 -0.01 0.00 -2.02 0.00 0.00 63.50 62.12 2atr n PRO 76 Cb 0.22 -1.50 -0.05 0.00 -0.02 0.00 0.00 33.50 32.14 2atr n PRO 76 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2atr h SER 77 N 0.00 0.00 -0.04 2.55 4.64 -1.98 -3.45 113.55 115.27 2atr h SER 77 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2atr h SER 77 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 2atr h SER 77 CO 0.00 0.67 0.00 -1.22 -0.87 0.00 0.00 176.83 175.41 2atr n TYR 78 N -3.13 0.00 0.00 4.77 4.01 0.46 -5.09 117.16 118.18 2atr n TYR 78 Ca -0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.70 2atr n TYR 78 Cb 0.84 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.87 2atr n TYR 78 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 2atr n GLN 79 N 0.00 0.00 -1.07 -0.72 6.02 -1.26 -4.92 117.38 115.43 2atr n GLN 79 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 57.00 56.92 2atr n GLN 79 Cb 0.00 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.23 2atr n GLN 79 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2atr n ARG 80 N 0.60 -1.73 -0.56 -1.09 1.74 -1.26 -4.78 116.66 109.58 2atr n ARG 80 Ca 0.00 0.63 0.07 0.00 -0.77 0.00 0.00 57.85 57.78 2atr n ARG 80 Cb 0.00 -4.79 0.16 0.00 -1.02 0.00 0.00 32.46 26.81 2atr n ARG 80 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2atr n GLN 81 N -0.42 1.28 -1.01 5.56 10.64 -1.26 -5.00 117.38 127.17 2atr n GLN 81 Ca -0.07 -2.89 -0.00 0.00 -1.83 0.00 0.00 57.00 52.21 2atr n GLN 81 Cb 0.45 -1.37 -0.00 0.00 -0.86 0.00 0.00 30.24 28.46 2atr n GLN 81 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2atr n GLY 82 N -0.98 0.46 0.08 2.61 0.00 -1.26 -4.95 105.19 101.14 2atr n GLY 82 Ca 0.16 -0.62 -0.12 0.00 0.00 0.00 0.00 46.02 45.44 2atr n GLY 82 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2atr h ILE 83 N 0.00 1.24 -0.68 -0.61 2.04 -1.94 -1.99 117.51 115.57 2atr h ILE 83 Ca -0.01 -0.73 0.06 0.00 1.00 0.00 0.00 64.86 65.18 2atr h ILE 83 Cb 0.04 1.58 -0.06 0.00 -0.74 0.00 0.00 36.82 37.64 2atr h ILE 83 CO 0.01 0.20 0.37 1.23 0.00 0.00 0.00 178.15 179.97 2atr h GLY 84 N -0.13 1.00 0.96 5.37 0.00 -1.95 -1.44 103.07 106.87 2atr h GLY 84 Ca 0.02 -0.25 0.01 0.00 0.00 0.00 0.00 47.33 47.11 2atr h GLY 84 CO 0.00 0.14 0.10 1.76 0.00 0.00 0.00 176.54 178.55 2atr h SER 85 N 0.67 0.17 -0.18 0.19 0.02 -1.95 -2.95 113.55 109.52 2atr h SER 85 Ca 0.31 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 61.30 2atr h SER 85 Cb 0.22 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 62.69 2atr h SER 85 CO -0.20 0.13 -0.05 0.28 -1.14 0.00 0.00 176.83 175.85 2atr h SER 86 N 0.22 -0.18 0.00 3.07 0.02 -1.19 0.10 113.55 115.59 2atr h SER 86 Ca 0.07 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 2atr h SER 86 Cb -0.00 0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.65 2atr h SER 86 CO -0.04 -0.07 0.00 0.18 -1.14 0.00 0.00 176.83 175.77 2atr n LEU 87 N -5.19 0.00 0.00 5.07 4.77 -0.56 -1.60 117.00 119.49 2atr n LEU 87 Ca -0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 2atr n LEU 87 Cb 0.12 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 2atr n LEU 87 CO 0.25 0.00 0.00 0.29 -1.33 0.00 0.00 177.39 176.60 2atr n LYS 89 N 0.12 0.00 -0.07 3.23 5.02 0.35 -1.32 118.16 125.50 2atr n LYS 89 Ca 0.00 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.17 2atr n LYS 89 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 34.96 2atr n LYS 89 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 2atr h GLU 90 N 0.00 0.36 -0.13 1.97 4.39 -1.54 -2.26 114.58 117.37 2atr h GLU 90 Ca 0.00 -0.13 -0.02 0.00 0.34 0.00 0.00 59.36 59.55 2atr h GLU 90 Cb 0.00 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.62 2atr h GLU 90 CO 0.00 0.60 0.00 0.00 -1.16 0.00 0.00 179.01 178.45 2atr h ALA 91 N 0.75 0.18 0.00 3.43 0.00 -1.45 -3.15 119.26 119.01 2atr h ALA 91 Ca 0.05 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2atr h ALA 91 Cb 0.45 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2atr h ALA 91 CO 0.02 -0.13 0.00 -0.07 0.00 0.00 0.00 179.25 179.06 2atr h LEU 92 N -0.03 0.00 -2.14 0.00 3.38 -1.79 -2.66 115.31 112.07 2atr h LEU 92 Ca 0.04 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.08 2atr h LEU 92 Cb 0.36 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 2atr h LEU 92 CO 0.01 0.00 0.22 1.23 0.09 0.00 0.00 178.44 179.98 2atr h GLY 93 N 2.39 0.00 1.94 0.83 0.00 -1.36 0.13 103.07 107.01 2atr h GLY 93 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2atr h GLY 93 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.24 2atr n ASN 94 N -4.03 0.00 -1.54 0.19 4.13 -1.00 -4.09 115.26 108.92 2atr n ASN 94 Ca 0.03 0.43 0.03 0.00 1.68 0.00 0.00 54.58 56.75 2atr n ASN 94 Cb 0.36 -0.47 0.05 0.00 -1.54 0.00 0.00 39.78 38.18 2atr n ASN 94 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 2atr n PHE 95 N -1.47 0.22 0.36 3.10 3.72 0.43 -4.87 117.46 118.95 2atr n PHE 95 Ca 0.06 -0.89 0.13 0.00 -0.05 0.00 0.00 57.45 56.70 2atr n PHE 95 Cb 0.25 -0.18 0.55 0.00 -0.94 0.00 0.00 39.48 39.16 2atr n PHE 95 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 2atr h LYS 96 N 1.22 0.00 -0.05 -1.08 2.10 -1.68 -1.67 116.57 115.41 2atr h LYS 96 Ca -0.17 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.48 2atr h LYS 96 Cb 1.68 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.01 2atr h LYS 96 CO 0.11 0.00 0.00 0.39 -2.00 0.00 0.00 179.45 177.95 2atr n GLU 97 N -2.42 1.03 -1.67 0.07 1.02 -1.26 -5.00 120.64 112.41 2atr n GLU 97 Ca 0.01 -1.37 -0.45 0.00 -0.02 0.00 0.00 57.16 55.33 2atr n GLU 97 Cb 0.23 -1.26 -0.03 0.00 -0.02 0.00 0.00 31.44 30.36 2atr n GLU 97 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2atr n ALA 98 N 0.75 1.00 0.02 0.62 0.00 -0.63 -4.90 120.51 117.36 2atr n ALA 98 Ca 0.08 0.41 -0.10 0.00 0.00 0.00 0.00 53.44 53.83 2atr n ALA 98 Cb 0.34 -2.26 -0.04 0.00 0.00 0.00 0.00 19.45 17.50 2atr n ALA 98 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 2atr h TYR 99 N 4.11 -0.69 -3.87 0.00 3.20 -1.14 -3.42 116.97 115.15 2atr h TYR 99 Ca -0.45 0.03 -0.48 0.00 3.14 0.00 0.00 58.73 60.97 2atr h TYR 99 Cb 1.28 0.32 -0.31 0.00 1.54 0.00 0.00 36.73 39.56 2atr h TYR 99 CO 0.56 -0.34 -0.81 -0.65 -1.64 0.00 0.00 178.16 175.28 2atr s GLN 100 N -6.06 1.24 -0.10 1.82 -0.21 -0.43 -5.02 119.66 110.90 2atr s GLN 100 Ca -0.15 -0.42 0.03 0.00 0.02 0.00 0.00 55.36 54.84 2atr s GLN 100 Cb 0.10 -1.13 0.01 0.00 1.00 0.00 0.00 33.01 32.99 2atr s GLN 100 CO 0.67 0.17 -0.18 0.08 -2.12 0.00 0.00 175.29 173.90 2atr s VAL 101 N 0.11 1.69 0.29 1.09 1.01 -1.26 -2.20 120.40 121.12 2atr s VAL 101 Ca -0.03 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.20 2atr s VAL 101 Cb -0.09 -1.50 -0.04 0.00 0.00 0.00 0.00 36.38 34.75 2atr s VAL 101 CO 0.01 0.48 0.15 -1.10 0.00 0.00 0.00 175.10 174.64 2atr s GLN 102 N 0.68 1.53 0.16 2.72 -0.21 -0.66 -5.01 119.66 118.87 2atr s GLN 102 Ca -0.12 -1.86 -0.24 0.00 0.02 0.00 0.00 55.36 53.16 2atr s GLN 102 Cb -0.16 -0.08 0.06 0.00 1.00 0.00 0.00 33.01 33.83 2atr s GLN 102 CO 0.03 -0.42 0.80 -0.48 -2.12 0.00 0.00 175.29 173.09 2atr s LEU 103 N -3.34 -0.32 -0.02 2.90 0.05 -1.26 -1.37 118.68 115.31 2atr s LEU 103 Ca 0.36 -0.29 0.02 0.00 0.05 0.00 0.00 54.13 54.27 2atr s LEU 103 Cb 0.06 2.40 0.00 0.00 -2.05 0.00 0.00 46.19 46.59 2atr s LEU 103 CO 0.17 -0.99 -0.08 0.00 -0.55 0.00 0.00 176.35 174.89 2atr s ALA 104 N -3.54 0.80 0.05 1.48 0.00 -1.26 -5.03 121.76 114.26 2atr s ALA 104 Ca 0.08 -0.30 -0.01 0.00 0.00 0.00 0.00 51.96 51.73 2atr s ALA 104 Cb -0.03 -0.30 -0.04 0.00 0.00 0.00 0.00 23.12 22.76 2atr s ALA 104 CO -0.02 0.13 -0.03 -0.08 0.00 0.00 0.00 175.76 175.76 2atr s THR 105 N 0.19 0.25 0.29 0.00 -1.32 -1.26 -5.10 115.64 108.69 2atr s THR 105 Ca -0.03 -1.70 -0.30 0.00 -1.21 0.00 0.00 61.69 58.45 2atr s THR 105 Cb -0.08 -1.36 -0.12 0.00 -1.51 0.00 0.00 72.50 69.43 2atr s THR 105 CO 0.00 -0.92 1.55 -0.62 -2.21 0.00 0.00 174.62 172.42 2atr n GLU 106 N 0.30 2.56 -2.47 7.08 1.02 -1.26 -4.85 120.64 123.02 2atr n GLU 106 Ca -0.15 0.91 -0.43 0.00 -0.02 0.00 0.00 57.16 57.47 2atr n GLU 106 Cb 0.60 -2.66 0.00 0.00 -0.02 0.00 0.00 31.44 29.36 2atr n GLU 106 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2atr n GLU 107 N 1.96 3.56 -4.13 3.49 2.13 -1.26 -4.64 120.64 121.75 2atr n GLU 107 Ca 0.08 -3.60 -0.23 0.00 0.66 0.00 0.00 57.16 54.07 2atr n GLU 107 Cb 0.36 -2.95 -0.05 0.00 0.27 0.00 0.00 31.44 29.06 2atr n GLU 107 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 2atr s THR 108 N 0.67 4.31 0.29 6.31 -4.23 -1.26 -4.99 115.64 116.74 2atr s THR 108 Ca 0.40 -1.39 0.02 0.00 -1.18 0.00 0.00 61.69 59.54 2atr s THR 108 Cb 0.07 -3.29 0.29 0.00 1.34 0.00 0.00 72.50 70.91 2atr s THR 108 CO 0.00 -0.29 1.86 -0.08 -0.54 0.00 0.00 174.62 175.58 2atr h GLU 109 N 1.80 0.95 -0.18 3.99 4.81 -1.99 0.02 114.58 123.99 2atr h GLU 109 Ca -0.48 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 58.66 2atr h GLU 109 Cb 1.23 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 30.39 2atr h GLU 109 CO 0.61 0.63 -0.03 -0.22 -0.73 0.00 0.00 179.01 179.27 2atr h LYS 110 N 0.98 0.33 -0.18 1.92 3.64 -1.96 -0.54 116.57 120.77 2atr h LYS 110 Ca 0.47 -0.12 -0.04 0.00 -1.27 0.00 0.00 60.65 59.68 2atr h LYS 110 Cb 0.44 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 2atr h LYS 110 CO -0.23 0.59 -0.05 -0.91 -2.27 0.00 0.00 179.45 176.58 2atr h ASN 111 N 0.05 0.35 -0.29 4.20 2.35 -1.73 -1.58 115.58 118.92 2atr h ASN 111 Ca 0.05 -0.37 -0.10 0.00 -0.55 0.00 0.00 56.30 55.32 2atr h ASN 111 Cb 0.46 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.73 2atr h ASN 111 CO 0.02 0.64 -0.20 0.58 -1.65 0.00 0.00 177.43 176.82 2atr h VAL 112 N 0.05 1.30 -0.88 2.81 2.07 -1.05 -1.85 116.25 118.70 2atr h VAL 112 Ca 0.04 -1.33 -0.01 0.00 0.82 0.00 0.00 66.70 66.22 2atr h VAL 112 Cb 0.49 1.53 -0.04 0.00 -1.52 0.00 0.00 31.29 31.75 2atr h VAL 112 CO 0.02 0.43 0.52 1.23 0.02 0.00 0.00 177.57 179.78 2atr h GLY 113 N 0.39 1.28 0.89 2.17 0.00 -1.09 -0.82 103.07 105.88 2atr h GLY 113 Ca 0.06 -0.54 -0.00 0.00 0.00 0.00 0.00 47.33 46.84 2atr h GLY 113 CO 0.05 0.53 -0.02 -2.75 0.00 0.00 0.00 176.54 174.35 2atr h PHE 114 N 1.21 -0.04 -0.36 5.60 3.57 -1.01 -1.82 116.94 124.09 2atr h PHE 114 Ca 0.31 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.74 2atr h PHE 114 Cb -0.03 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.71 2atr h PHE 114 CO 0.00 0.08 -0.08 1.88 -2.23 0.00 0.00 178.31 177.96 2atr h TYR 115 N -0.16 0.64 -0.60 0.41 0.05 -1.15 -1.86 116.97 114.31 2atr h TYR 115 Ca -0.00 -0.09 -0.03 0.00 0.05 0.00 0.00 58.73 58.65 2atr h TYR 115 Cb 0.14 -0.17 -0.03 0.00 1.01 0.00 0.00 36.73 37.68 2atr h TYR 115 CO -0.04 0.67 0.27 0.00 -1.05 0.00 0.00 178.16 178.00 2atr h ARG 116 N 0.56 0.86 -2.07 4.88 3.08 -1.12 -0.44 114.38 120.14 2atr h ARG 116 Ca 0.11 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 2atr h ARG 116 Cb 0.48 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.36 2atr h ARG 116 CO 0.03 0.69 0.02 -1.13 -1.07 0.00 0.00 179.97 178.50 2atr n SER 117 N -4.34 2.13 0.00 7.04 3.41 -0.69 -3.95 113.62 117.23 2atr n SER 117 Ca 0.05 -1.60 0.00 0.00 -0.26 0.00 0.00 58.87 57.06 2atr n SER 117 Cb 0.15 -0.46 0.00 0.00 -0.26 0.00 0.00 64.21 63.63 2atr n SER 117 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2atr n GLY 119 N 1.91 -2.85 3.89 5.00 0.00 -0.82 -5.10 105.19 107.23 2atr n GLY 119 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 2atr n GLY 119 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2atr s PHE 120 N 0.00 3.51 0.08 1.61 0.08 -0.24 -5.12 117.98 117.90 2atr s PHE 120 Ca 0.00 0.55 0.06 0.00 0.12 0.00 0.00 56.93 57.67 2atr s PHE 120 Cb 0.00 -2.00 -0.03 0.00 -0.57 0.00 0.00 43.02 40.42 2atr s PHE 120 CO 0.00 0.49 -0.17 -2.00 -0.10 0.00 0.00 175.22 173.44 2atr s GLU 121 N -2.40 0.95 0.42 0.44 2.56 -1.26 -3.42 118.70 115.99 2atr s GLU 121 Ca 0.37 -1.01 -0.24 0.00 0.00 0.00 0.00 54.97 54.10 2atr s GLU 121 Cb -0.13 -1.05 -0.08 0.00 2.00 0.00 0.00 34.13 34.88 2atr s GLU 121 CO 0.23 0.24 1.12 0.96 -0.56 0.00 0.00 175.26 177.25 2atr s ILE 122 N -1.18 3.36 0.38 -3.70 -4.36 -1.26 -4.93 121.20 109.51 2atr s ILE 122 Ca 0.01 1.06 0.08 0.00 -0.26 0.00 0.00 60.65 61.54 2atr s ILE 122 Cb -0.10 -3.55 0.17 0.00 1.25 0.00 0.00 42.46 40.23 2atr s ILE 122 CO 0.03 0.02 1.92 -0.07 0.24 0.00 0.00 174.94 177.08 2atr h LEU 123 N 2.35 0.31 -2.29 0.37 3.38 -1.98 -2.66 115.31 114.79 2atr h LEU 123 Ca -0.49 -0.05 0.04 0.00 0.09 0.00 0.00 57.88 57.46 2atr h LEU 123 Cb 1.23 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.90 2atr h LEU 123 CO 0.61 0.41 0.13 0.77 0.09 0.00 0.00 178.44 180.46 2atr h SER 124 N 0.32 0.00 -0.33 -0.43 4.64 -1.86 -0.98 113.55 114.91 2atr h SER 124 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 2atr h SER 124 Cb 0.32 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.39 2atr h SER 124 CO 0.01 0.00 0.22 0.74 -0.87 0.00 0.00 176.83 176.93 2atr h THR 125 N 0.00 1.08 -0.60 2.95 2.02 -1.78 -1.44 112.91 115.15 2atr h THR 125 Ca 0.06 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 67.08 2atr h THR 125 Cb 0.32 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 67.33 2atr h THR 125 CO -0.00 0.08 0.00 -1.22 0.37 0.00 0.00 175.52 174.75 2atr n TYR 126 N -4.49 1.85 -3.93 3.16 4.01 -0.45 -4.95 117.16 112.35 2atr n TYR 126 Ca 0.02 -0.67 -0.30 0.00 -0.16 0.00 0.00 57.90 56.79 2atr n TYR 126 Cb 0.07 -0.41 0.02 0.00 -0.31 0.00 0.00 39.34 38.71 2atr n TYR 126 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 2atr n ASP 127 N 0.81 -4.57 -4.55 7.72 8.00 -0.54 -5.01 116.55 118.41 2atr n ASP 127 Ca 0.27 -0.80 -0.25 0.00 0.71 0.00 0.00 54.79 54.72 2atr n ASP 127 Cb 1.07 -3.80 -0.10 0.00 -0.02 0.00 0.00 41.12 38.27 2atr n ASP 127 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2atr s THR 129 N -2.56 0.04 0.42 0.00 -1.32 -1.26 -2.60 115.64 108.37 2atr s THR 129 Ca 0.32 -0.35 -0.07 0.00 -1.21 0.00 0.00 61.69 60.38 2atr s THR 129 Cb 0.00 -0.36 0.10 0.00 -1.51 0.00 0.00 72.50 70.73 2atr s THR 129 CO 0.17 -0.19 0.55 0.61 -2.21 0.00 0.00 174.62 173.55 2atr n GLY 130 N 2.18 -1.41 3.62 6.08 0.00 -1.26 -5.10 105.19 109.30 2atr n GLY 130 Ca -0.18 -1.67 -0.10 0.00 0.00 0.00 0.00 46.02 44.08 2atr n GLY 130 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2atr s ILE 132 N -2.19 0.00 -0.28 -0.61 2.07 -1.26 -5.19 121.20 113.74 2atr s ILE 132 Ca 0.32 0.00 -0.29 0.00 -1.41 0.00 0.00 60.65 59.27 2atr s ILE 132 Cb -0.01 -1.00 -0.00 0.00 0.13 0.00 0.00 42.46 41.58 2atr s ILE 132 CO 0.22 0.00 1.37 0.86 -1.91 0.00 0.00 174.94 175.48 2atr s TRP 133 N -0.12 2.56 -0.15 3.50 -0.00 -1.26 -4.86 118.94 118.62 2atr s TRP 133 Ca 0.02 0.80 0.04 0.00 -0.00 0.00 0.00 56.10 56.96 2atr s TRP 133 Cb -0.04 -3.92 -0.12 0.00 -0.00 0.00 0.00 33.47 29.39 2atr s TRP 133 CO -0.04 -1.97 -0.08 0.44 -0.00 0.00 0.00 176.95 175.29 2atr n ILE 134 N 6.24 0.89 -3.82 5.86 -6.64 -1.26 -4.92 119.36 115.71 2atr n ILE 134 Ca 0.16 -0.40 -0.36 0.00 -1.77 0.00 0.00 62.75 60.37 2atr n ILE 134 Cb 0.46 -0.94 -0.13 0.00 -1.44 0.00 0.00 39.64 37.60 2atr n ILE 134 CO 0.00 0.00 0.00 0.21 -1.77 0.00 0.00 176.55 174.99 2atr s ASN 135 N -5.22 5.13 0.00 7.28 3.84 -1.26 -4.97 114.94 119.74 2atr s ASN 135 Ca -0.17 -1.55 0.18 0.00 0.21 0.00 0.00 52.86 51.53 2atr s ASN 135 Cb 0.05 -1.79 0.54 0.00 -0.55 0.00 0.00 41.25 39.49 2atr s ASN 135 CO 0.41 -0.39 1.43 0.54 -2.79 0.00 0.00 177.10 176.30 2atr n ARG 136 N 4.65 1.99 0.00 0.43 1.74 -1.26 -5.27 116.66 118.94 2atr n ARG 136 Ca -0.09 -1.52 0.00 0.00 -0.77 0.00 0.00 57.85 55.47 2atr n ARG 136 Cb 0.43 -1.39 0.00 0.00 -1.02 0.00 0.00 32.46 30.48 2atr n ARG 136 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26