#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2o6m s LEU 3 N 0.00 4.27 0.74 0.00 1.43 -1.26 -5.02 118.68 118.84 2o6m s LEU 3 Ca 0.00 2.47 -0.11 0.00 -1.03 0.00 0.00 54.13 55.46 2o6m s LEU 3 Cb 0.00 -3.90 0.04 0.00 0.03 0.00 0.00 46.19 42.36 2o6m s LEU 3 CO 0.00 -0.65 1.08 0.42 0.23 0.00 0.00 176.35 177.43 2o6m s THR 4 N -1.31 3.53 0.48 5.49 -4.23 -1.26 -4.83 115.64 113.51 2o6m s THR 4 Ca 0.55 0.50 0.15 0.00 -1.18 0.00 0.00 61.69 61.71 2o6m s THR 4 Cb -0.34 -3.27 0.22 0.00 1.34 0.00 0.00 72.50 70.45 2o6m s THR 4 CO 0.44 -0.65 2.06 0.78 -0.54 0.00 0.00 174.62 176.70 2o6m h ASN 5 N -0.88 0.00 -0.38 3.99 -0.26 -1.99 -0.60 115.58 115.45 2o6m h ASN 5 Ca -0.45 0.00 -0.13 0.00 -0.56 0.00 0.00 56.30 55.15 2o6m h ASN 5 Cb 1.24 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.49 2o6m h ASN 5 CO 0.59 0.11 -0.26 0.00 -1.06 0.00 0.00 177.43 176.80 2o6m h ALA 6 N 1.89 0.73 -0.20 -0.83 0.00 -2.00 -1.52 119.26 117.33 2o6m h ALA 6 Ca -0.00 -0.40 -0.12 0.00 0.00 0.00 0.00 54.91 54.39 2o6m h ALA 6 Cb 0.20 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2o6m h ALA 6 CO 0.01 0.66 -0.39 1.96 0.00 0.00 0.00 179.25 181.50 2o6m h GLN 7 N 0.77 0.45 -0.44 0.00 4.20 -1.55 -2.25 115.11 116.29 2o6m h GLN 7 Ca 0.09 -0.22 -0.12 0.00 0.06 0.00 0.00 58.65 58.46 2o6m h GLN 7 Cb 0.82 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.59 2o6m h GLN 7 CO 0.07 0.77 -0.20 0.82 -0.67 0.00 0.00 178.83 179.63 2o6m h ILE 8 N 0.38 1.27 -0.54 2.54 1.08 -0.96 -1.98 117.51 119.30 2o6m h ILE 8 Ca 0.04 -1.33 0.01 0.00 -0.39 0.00 0.00 64.86 63.19 2o6m h ILE 8 Cb 0.85 1.14 -0.03 0.00 -3.07 0.00 0.00 36.82 35.72 2o6m h ILE 8 CO 0.07 0.45 0.35 -0.07 -0.69 0.00 0.00 178.15 178.26 2o6m h LEU 9 N 0.76 0.59 -1.11 1.44 3.38 -1.00 0.09 115.31 119.46 2o6m h LEU 9 Ca 0.11 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2o6m h LEU 9 Cb 0.73 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.30 2o6m h LEU 9 CO 0.06 0.43 0.55 0.00 0.09 0.00 0.00 178.44 179.56 2o6m h ALA 10 N 1.21 1.34 -0.50 1.53 0.00 -1.13 0.13 119.26 121.85 2o6m h ALA 10 Ca 0.20 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 2o6m h ALA 10 Cb -0.05 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.37 2o6m h ALA 10 CO -0.06 0.59 0.08 0.28 0.00 0.00 0.00 179.25 180.14 2o6m h VAL 11 N 1.18 1.25 -0.49 0.00 2.07 -0.58 -1.10 116.25 118.58 2o6m h VAL 11 Ca 0.31 -0.94 -0.05 0.00 0.82 0.00 0.00 66.70 66.85 2o6m h VAL 11 Cb -0.10 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 2o6m h VAL 11 CO -0.06 0.33 0.12 0.40 0.02 0.00 0.00 177.57 178.38 2o6m h ILE 12 N 0.70 1.24 -0.67 4.57 2.04 -0.23 -1.36 117.51 123.80 2o6m h ILE 12 Ca 0.15 -0.84 -0.01 0.00 1.00 0.00 0.00 64.86 65.16 2o6m h ILE 12 Cb 0.40 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 37.30 2o6m h ILE 12 CO 0.01 0.30 0.39 0.44 0.00 0.00 0.00 178.15 179.30 2o6m h ASP 13 N 0.68 0.82 0.55 1.72 3.45 -0.58 -0.21 116.42 122.84 2o6m h ASP 13 Ca 0.15 -0.07 -0.11 0.00 0.43 0.00 0.00 57.03 57.43 2o6m h ASP 13 Cb 0.33 -0.21 -0.02 0.00 -0.56 0.00 0.00 39.33 38.88 2o6m h ASP 13 CO 0.00 0.66 -0.54 0.77 -1.57 0.00 0.00 179.24 178.56 2o6m h SER 14 N 0.92 0.00 0.08 6.45 4.64 -1.06 -1.62 113.55 122.95 2o6m h SER 14 Ca 0.24 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.56 2o6m h SER 14 Cb -0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2o6m h SER 14 CO -0.04 0.54 -0.04 -0.25 -0.87 0.00 0.00 176.83 176.17 2o6m h TRP 15 N 0.00 -0.10 -0.85 4.77 7.01 -0.73 -2.44 115.95 123.61 2o6m h TRP 15 Ca -0.01 -0.00 0.05 0.00 2.11 0.00 0.00 58.89 61.04 2o6m h TRP 15 Cb 0.96 0.03 -0.06 0.00 -2.10 0.00 0.00 29.16 28.00 2o6m h TRP 15 CO 0.00 0.26 0.53 0.93 -2.79 0.00 0.00 178.44 177.37 2o6m h GLU 16 N -0.47 0.96 -0.83 2.65 5.08 -0.94 -0.84 114.58 120.19 2o6m h GLU 16 Ca -0.01 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 2o6m h GLU 16 Cb 0.40 -0.22 -0.04 0.00 0.50 0.00 0.00 28.75 29.40 2o6m h GLU 16 CO 0.02 0.64 0.43 1.49 -1.00 0.00 0.00 179.01 180.59 2o6m h GLU 17 N 0.99 1.18 0.03 2.33 4.81 -1.24 0.44 114.58 123.12 2o6m h GLU 17 Ca 0.36 -0.15 -0.16 0.00 -0.13 0.00 0.00 59.36 59.28 2o6m h GLU 17 Cb 0.11 -0.22 0.01 0.00 0.63 0.00 0.00 28.75 29.28 2o6m h GLU 17 CO -0.15 0.88 -0.64 1.15 -0.73 0.00 0.00 179.01 179.52 2o6m h THR 18 N 1.18 1.45 -0.23 0.32 2.02 -0.98 -3.26 112.91 113.42 2o6m h THR 18 Ca 0.29 -2.19 -0.06 0.00 0.77 0.00 0.00 66.41 65.23 2o6m h THR 18 Cb 0.07 2.75 -0.01 0.00 -1.74 0.00 0.00 68.15 69.22 2o6m h THR 18 CO -0.04 0.63 -0.11 0.58 0.37 0.00 0.00 175.52 176.94 2o6m h VAL 19 N -0.19 1.20 -0.03 3.16 2.07 -1.12 -2.35 116.25 118.99 2o6m h VAL 19 Ca -0.09 -0.88 0.01 0.00 0.82 0.00 0.00 66.70 66.56 2o6m h VAL 19 Cb 1.38 1.16 -0.00 0.00 -1.52 0.00 0.00 31.29 32.31 2o6m h VAL 19 CO 0.12 0.28 0.05 1.23 0.02 0.00 0.00 177.57 179.28 2o6m h GLY 20 N 0.83 0.00 -1.77 2.17 0.00 -0.95 -0.05 103.07 103.30 2o6m h GLY 20 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 2o6m h GLY 20 CO 0.02 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.50 2o6m n GLN 21 N -3.55 2.18 -2.17 4.80 6.02 -0.88 -4.93 117.38 118.86 2o6m n GLN 21 Ca -0.02 -1.81 -0.34 0.00 -0.01 0.00 0.00 57.00 54.82 2o6m n GLN 21 Cb 0.14 -1.44 0.00 0.00 1.02 0.00 0.00 30.24 29.96 2o6m n GLN 21 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 2o6m s PHE 22 N -1.47 2.87 0.15 1.08 2.99 -0.04 -4.93 117.98 118.63 2o6m s PHE 22 Ca 0.36 1.54 -0.34 0.00 0.00 0.00 0.00 56.93 58.49 2o6m s PHE 22 Cb 0.19 -3.10 -0.14 0.00 0.00 0.00 0.00 43.02 39.97 2o6m s PHE 22 CO 0.27 -1.22 1.58 -2.30 -0.00 0.00 0.00 175.22 173.54 2o6m n PRO 23 N -1.68 2.11 -3.50 0.24 -0.02 -1.25 -4.69 135.00 126.21 2o6m n PRO 23 Ca 0.10 0.76 -0.40 0.00 -2.02 0.00 0.00 63.50 61.94 2o6m n PRO 23 Cb 0.52 -2.53 -0.10 0.00 -0.02 0.00 0.00 33.50 31.37 2o6m n PRO 23 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2o6m s VAL 24 N 0.98 5.25 -0.17 -1.45 1.01 -1.26 -1.53 120.40 123.23 2o6m s VAL 24 Ca 0.79 -0.03 -0.04 0.00 0.00 0.00 0.00 61.98 62.70 2o6m s VAL 24 Cb -0.69 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 31.95 2o6m s VAL 24 CO 0.39 0.02 -0.03 -0.63 0.00 0.00 0.00 175.10 174.85 2o6m s ILE 25 N 1.83 3.87 -0.16 2.22 -1.09 0.67 -4.93 121.20 123.61 2o6m s ILE 25 Ca 0.08 -0.36 -0.25 0.00 -2.23 0.00 0.00 60.65 57.90 2o6m s ILE 25 Cb -0.17 -2.72 -0.02 0.00 -1.58 0.00 0.00 42.46 37.98 2o6m s ILE 25 CO 0.11 0.47 0.80 -0.89 -1.23 0.00 0.00 174.94 174.20 2o6m s THR 26 N 0.62 4.91 -0.07 2.92 2.01 -1.26 -1.41 115.64 123.36 2o6m s THR 26 Ca -0.02 1.57 0.04 0.00 0.31 0.00 0.00 61.69 63.59 2o6m s THR 26 Cb -0.14 -4.11 -0.00 0.00 0.01 0.00 0.00 72.50 68.26 2o6m s THR 26 CO 0.02 0.06 -0.20 -1.00 -0.69 0.00 0.00 174.62 172.81 2o6m s HIS 27 N 1.99 2.14 -0.16 4.92 3.76 0.10 -4.97 115.29 123.07 2o6m s HIS 27 Ca 0.37 -0.76 -0.15 0.00 -0.15 0.00 0.00 55.06 54.37 2o6m s HIS 27 Cb -0.17 -1.44 -0.04 0.00 1.11 0.00 0.00 32.58 32.04 2o6m s HIS 27 CO 0.13 -0.29 0.35 -1.01 -0.85 0.00 0.00 174.74 173.07 2o6m s HIS 28 N 0.23 3.44 0.11 1.40 3.76 -1.26 0.20 115.29 123.17 2o6m s HIS 28 Ca -0.12 0.65 0.04 0.00 -0.15 0.00 0.00 55.06 55.48 2o6m s HIS 28 Cb -0.15 -2.43 -0.04 0.00 1.11 0.00 0.00 32.58 31.07 2o6m s HIS 28 CO 0.05 0.15 -0.09 0.14 -0.85 0.00 0.00 174.74 174.14 2o6m s VAL 29 N 0.73 0.97 0.10 -0.90 -7.23 0.09 -4.94 120.40 109.23 2o6m s VAL 29 Ca 0.19 -1.85 -0.30 0.00 -1.81 0.00 0.00 61.98 58.21 2o6m s VAL 29 Cb -0.14 -1.60 -0.06 0.00 0.56 0.00 0.00 36.38 35.15 2o6m s VAL 29 CO 0.06 -0.69 1.03 -2.16 -0.31 0.00 0.00 175.10 173.04 2o6m s PRO 30 N -3.34 4.61 0.00 4.82 0.04 -1.26 0.11 135.00 139.98 2o6m s PRO 30 Ca 0.11 1.56 0.17 0.00 0.04 0.00 0.00 61.00 62.88 2o6m s PRO 30 Cb 0.01 -3.36 -0.08 0.00 0.04 0.00 0.00 34.50 31.10 2o6m s PRO 30 CO -0.01 0.07 0.81 1.28 0.04 0.00 0.00 177.00 179.20 2o6m n LEU 31 N 3.01 1.29 0.00 -3.56 4.77 -0.73 -0.27 117.00 121.50 2o6m n LEU 31 Ca 0.04 -0.64 0.00 0.00 -0.03 0.00 0.00 56.01 55.37 2o6m n LEU 31 Cb 0.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 2o6m n LEU 31 CO 0.53 0.27 0.00 0.61 -1.33 0.00 0.00 177.39 177.46 2o6m n GLY 32 N 1.29 1.47 2.44 -0.72 0.00 -1.25 -0.78 105.19 107.63 2o6m n GLY 32 Ca 0.05 -1.85 -0.15 0.00 0.00 0.00 0.00 46.02 44.08 2o6m n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2o6m n GLY 33 N 1.42 1.51 3.03 -0.02 0.00 -1.16 -2.20 105.19 107.78 2o6m n GLY 33 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.71 2o6m n GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2o6m n GLY 34 N -1.11 0.75 3.86 -0.02 0.00 -1.26 -5.02 105.19 102.39 2o6m n GLY 34 Ca -0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.56 2o6m n GLY 34 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2o6m s LEU 35 N 0.00 3.79 -0.07 0.99 1.43 -0.93 -4.99 118.68 118.90 2o6m s LEU 35 Ca 0.00 1.28 0.04 0.00 -1.03 0.00 0.00 54.13 54.43 2o6m s LEU 35 Cb 0.00 -4.17 -0.02 0.00 0.03 0.00 0.00 46.19 42.03 2o6m s LEU 35 CO 0.00 -0.44 -0.20 -1.10 0.23 0.00 0.00 176.35 174.84 2o6m s GLN 36 N -3.84 2.69 0.30 1.70 -1.52 -1.26 -1.78 119.66 115.94 2o6m s GLN 36 Ca 0.54 -0.81 0.01 0.00 -1.95 0.00 0.00 55.36 53.15 2o6m s GLN 36 Cb -0.10 -2.30 -0.00 0.00 -0.22 0.00 0.00 33.01 30.38 2o6m s GLN 36 CO 0.30 0.41 0.05 0.41 -0.25 0.00 0.00 175.29 176.21 2o6m n GLY 37 N 2.88 3.67 2.97 3.09 0.00 0.12 -4.92 105.19 113.00 2o6m n GLY 37 Ca -0.17 -2.19 -0.18 0.00 0.00 0.00 0.00 46.02 43.48 2o6m n GLY 37 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2o6m s THR 38 N -2.35 0.58 0.01 2.61 2.01 -1.26 -0.73 115.64 116.51 2o6m s THR 38 Ca 0.06 -0.27 0.05 0.00 0.31 0.00 0.00 61.69 61.84 2o6m s THR 38 Cb 0.00 -0.52 -0.02 0.00 0.01 0.00 0.00 72.50 71.98 2o6m s THR 38 CO 0.05 0.19 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.25 2o6m s LEU 39 N 0.12 2.08 -0.39 4.42 1.02 0.13 -4.95 118.68 121.11 2o6m s LEU 39 Ca -0.01 -0.35 -0.01 0.00 0.02 0.00 0.00 54.13 53.77 2o6m s LEU 39 Cb -0.06 -0.76 0.11 0.00 0.02 0.00 0.00 46.19 45.50 2o6m s LEU 39 CO -0.00 0.14 0.17 -1.00 0.02 0.00 0.00 176.35 175.68 2o6m s HIS 40 N -0.53 3.62 -0.04 0.29 3.76 -1.26 0.03 115.29 121.15 2o6m s HIS 40 Ca 0.05 -2.53 -0.17 0.00 -0.15 0.00 0.00 55.06 52.26 2o6m s HIS 40 Cb -0.07 -3.13 -0.05 0.00 1.11 0.00 0.00 32.58 30.44 2o6m s HIS 40 CO 0.00 -0.96 0.47 0.00 -0.85 0.00 0.00 174.74 173.40 2o6m s TYR 42 N -0.32 3.45 -0.09 0.00 1.51 -1.26 -0.24 117.35 120.40 2o6m s TYR 42 Ca 0.26 -1.59 -0.24 0.00 -1.01 0.00 0.00 57.07 54.48 2o6m s TYR 42 Cb -0.17 -3.89 -0.03 0.00 -0.11 0.00 0.00 41.96 37.76 2o6m s TYR 42 CO 0.13 -1.09 0.74 -1.21 -1.11 0.00 0.00 175.55 173.01 2o6m s GLU 43 N 1.17 4.40 0.35 -0.62 2.02 -0.58 -1.27 118.70 124.18 2o6m s GLU 43 Ca 0.14 0.93 -0.27 0.00 0.02 0.00 0.00 54.97 55.79 2o6m s GLU 43 Cb -0.17 -3.48 -0.09 0.00 0.10 0.00 0.00 34.13 30.49 2o6m s GLU 43 CO -0.04 -0.04 1.19 -1.50 0.02 0.00 0.00 175.26 174.89 2o6m s ILE 44 N 1.15 3.13 0.74 -1.63 2.07 -0.33 -3.81 121.20 122.52 2o6m s ILE 44 Ca 0.38 1.04 -0.16 0.00 -1.41 0.00 0.00 60.65 60.51 2o6m s ILE 44 Cb -0.18 -3.63 -0.00 0.00 0.13 0.00 0.00 42.46 38.79 2o6m s ILE 44 CO 0.17 0.18 0.79 -2.65 -1.91 0.00 0.00 174.94 171.52 2o6m n PRO 45 N 0.54 0.36 0.24 3.50 -0.02 -1.26 -4.91 135.00 133.45 2o6m n PRO 45 Ca 0.02 0.17 0.13 0.00 -2.02 0.00 0.00 63.50 61.80 2o6m n PRO 45 Cb 0.45 -2.07 0.55 0.00 -0.02 0.00 0.00 33.50 32.41 2o6m n PRO 45 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2o6m h LEU 46 N -0.42 0.00 -7.87 2.45 3.38 -1.93 -3.46 115.31 107.46 2o6m h LEU 46 Ca -0.46 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.45 2o6m h LEU 46 Cb 1.33 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.97 2o6m h LEU 46 CO 0.45 0.13 -0.14 0.00 0.09 0.00 0.00 178.44 178.97 2o6m s ALA 47 N -3.69 -0.48 0.49 1.53 0.00 -1.26 -5.15 121.76 113.20 2o6m s ALA 47 Ca 0.01 -0.54 -0.24 0.00 0.00 0.00 0.00 51.96 51.19 2o6m s ALA 47 Cb 0.10 0.85 -0.07 0.00 0.00 0.00 0.00 23.12 23.99 2o6m s ALA 47 CO 0.60 -0.72 1.39 0.00 0.00 0.00 0.00 175.76 177.03 2o6m n ALA 48 N -0.28 1.80 -1.95 0.00 0.00 -1.26 -4.27 120.51 114.56 2o6m n ALA 48 Ca -0.09 0.20 -0.32 0.00 0.00 0.00 0.00 53.44 53.24 2o6m n ALA 48 Cb 0.63 -2.37 -0.04 0.00 0.00 0.00 0.00 19.45 17.67 2o6m n ALA 48 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2o6m s PRO 49 N -2.60 3.92 -0.19 0.00 0.04 -1.26 -5.13 135.00 129.77 2o6m s PRO 49 Ca 0.65 0.82 0.13 0.00 0.04 0.00 0.00 61.00 62.64 2o6m s PRO 49 Cb -0.44 -2.22 -0.21 0.00 0.04 0.00 0.00 34.50 31.67 2o6m s PRO 49 CO 0.54 -0.17 0.00 0.66 0.04 0.00 0.00 177.00 178.07 2o6m n TYR 50 N -1.38 0.00 0.00 0.56 4.01 -1.26 -4.80 117.16 114.29 2o6m n TYR 50 Ca 0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.79 2o6m n TYR 50 Cb 0.54 -0.91 0.00 0.00 -0.31 0.00 0.00 39.34 38.66 2o6m n TYR 50 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2o6m n GLY 51 N 1.98 4.10 3.70 2.72 0.00 -1.26 -4.58 105.19 111.84 2o6m n GLY 51 Ca -0.33 -1.29 -0.53 0.00 0.00 0.00 0.00 46.02 43.87 2o6m n GLY 51 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2o6m n VAL 52 N -1.72 0.44 -0.08 1.61 0.31 -1.26 -1.39 118.33 116.24 2o6m n VAL 52 Ca 0.00 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 2o6m n VAL 52 Cb 0.00 -1.54 0.00 0.00 -0.91 0.00 0.00 33.84 31.39 2o6m n VAL 52 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2o6m n GLY 53 N 4.33 1.22 3.83 2.92 0.00 -1.26 -4.97 105.19 111.27 2o6m n GLY 53 Ca 0.25 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.91 2o6m n GLY 53 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2o6m s PHE 54 N -2.53 3.48 -0.09 1.61 0.40 -0.49 -0.29 117.98 120.08 2o6m s PHE 54 Ca 0.00 0.44 -0.09 0.00 -0.60 0.00 0.00 56.93 56.68 2o6m s PHE 54 Cb 0.00 -1.90 0.02 0.00 0.51 0.00 0.00 43.02 41.66 2o6m s PHE 54 CO 0.00 0.67 0.25 0.00 0.70 0.00 0.00 175.22 176.84 2o6m s ALA 55 N -1.01 -0.62 -0.14 5.36 0.00 -0.93 -4.59 121.76 119.83 2o6m s ALA 55 Ca 0.15 0.67 -0.25 0.00 0.00 0.00 0.00 51.96 52.53 2o6m s ALA 55 Cb -0.12 -0.38 -0.02 0.00 0.00 0.00 0.00 23.12 22.60 2o6m s ALA 55 CO 0.04 -0.13 0.82 0.21 0.00 0.00 0.00 175.76 176.71 2o6m s LYS 56 N 0.04 4.34 0.00 0.00 2.20 -1.26 -1.18 119.74 123.87 2o6m s LYS 56 Ca -0.01 1.02 0.10 0.00 -0.36 0.00 0.00 55.97 56.72 2o6m s LYS 56 Cb -0.02 -3.54 0.05 0.00 -1.51 0.00 0.00 37.83 32.81 2o6m s LYS 56 CO 0.01 -0.24 0.75 0.27 -0.36 0.00 0.00 175.35 175.78 2o6m n ASN 57 N 4.88 1.62 -3.71 1.43 6.94 -0.52 -4.98 115.26 120.93 2o6m n ASN 57 Ca 0.04 -1.31 -0.05 0.00 -0.02 0.00 0.00 54.58 53.24 2o6m n ASN 57 Cb 0.49 0.16 -0.02 0.00 -2.36 0.00 0.00 39.78 38.06 2o6m n ASN 57 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 2o6m s GLY 58 N -1.02 -0.27 0.31 4.83 0.00 -0.98 -4.94 107.32 105.25 2o6m s GLY 58 Ca 0.11 0.24 0.04 0.00 0.00 0.00 0.00 44.72 45.11 2o6m s GLY 58 CO 0.17 0.06 1.61 -2.55 0.00 0.00 0.00 173.10 172.38 2o6m h PRO 59 N 2.00 0.10 -0.43 2.90 0.11 -2.04 -2.37 132.00 132.27 2o6m h PRO 59 Ca -0.24 -0.01 -0.28 0.00 0.11 0.00 0.00 66.00 65.59 2o6m h PRO 59 Cb 1.24 -0.02 -0.40 0.00 0.11 0.00 0.00 31.00 31.93 2o6m h PRO 59 CO 0.27 0.07 -1.05 0.25 -0.21 0.00 0.00 178.00 177.32 2o6m n THR 60 N -5.33 1.36 -4.54 -1.15 -2.24 -1.26 -5.06 114.28 96.06 2o6m n THR 60 Ca 0.24 -2.94 -0.22 0.00 -2.27 0.00 0.00 64.05 58.86 2o6m n THR 60 Cb 0.79 0.86 -0.16 0.00 -2.10 0.00 0.00 70.33 69.73 2o6m n THR 60 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2o6m s ARG 61 N -3.39 1.24 0.12 -0.78 1.81 -0.90 -4.95 118.95 112.11 2o6m s ARG 61 Ca 0.32 -0.41 0.00 0.00 -1.72 0.00 0.00 55.73 53.92 2o6m s ARG 61 Cb 0.34 -1.12 -0.04 0.00 -0.45 0.00 0.00 34.95 33.68 2o6m s ARG 61 CO -0.04 0.16 0.01 -1.58 -0.68 0.00 0.00 175.30 173.16 2o6m s TRP 62 N 0.14 0.88 0.09 -0.53 0.51 -1.26 -1.43 118.94 117.34 2o6m s TRP 62 Ca -0.03 -1.10 0.04 0.00 -2.12 0.00 0.00 56.10 52.88 2o6m s TRP 62 Cb -0.10 -0.52 -0.04 0.00 -0.81 0.00 0.00 33.47 32.01 2o6m s TRP 62 CO 0.01 -0.36 -0.10 -0.65 -0.51 0.00 0.00 176.95 175.34 2o6m s GLN 63 N -3.96 0.84 -0.14 4.98 -0.21 -0.33 -0.92 119.66 119.92 2o6m s GLN 63 Ca 0.19 -1.15 0.00 0.00 0.02 0.00 0.00 55.36 54.42 2o6m s GLN 63 Cb 0.07 -0.52 -0.01 0.00 1.00 0.00 0.00 33.01 33.55 2o6m s GLN 63 CO -0.01 0.08 -0.15 -0.47 -2.12 0.00 0.00 175.29 172.62 2o6m s TYR 64 N -2.43 2.78 -0.04 0.91 5.04 0.04 -2.20 117.35 121.45 2o6m s TYR 64 Ca 0.05 -0.84 0.07 0.00 -2.44 0.00 0.00 57.07 53.91 2o6m s TYR 64 Cb -0.03 -1.85 -0.01 0.00 0.35 0.00 0.00 41.96 40.41 2o6m s TYR 64 CO -0.00 -0.34 -0.25 0.21 -1.34 0.00 0.00 175.55 173.83 2o6m s LYS 65 N 0.55 2.27 -0.07 4.97 2.20 0.60 -1.43 119.74 128.83 2o6m s LYS 65 Ca -0.09 -0.90 -0.04 0.00 -0.36 0.00 0.00 55.97 54.58 2o6m s LYS 65 Cb -0.16 -2.05 0.03 0.00 -1.51 0.00 0.00 37.83 34.14 2o6m s LYS 65 CO 0.04 0.46 0.17 1.03 -0.36 0.00 0.00 175.35 176.69 2o6m s ARG 66 N -0.38 0.15 -0.20 4.03 1.81 -0.58 -4.60 118.95 119.19 2o6m s ARG 66 Ca 0.03 0.34 -0.08 0.00 -1.72 0.00 0.00 55.73 54.30 2o6m s ARG 66 Cb -0.12 -0.06 -0.04 0.00 -0.45 0.00 0.00 34.95 34.28 2o6m s ARG 66 CO 0.01 -0.11 0.08 0.99 -0.68 0.00 0.00 175.30 175.60 2o6m s THR 67 N 0.75 4.87 -0.13 0.02 2.01 -1.26 -1.26 115.64 120.63 2o6m s THR 67 Ca -0.05 -0.00 -0.01 0.00 0.31 0.00 0.00 61.69 61.93 2o6m s THR 67 Cb -0.07 -3.22 0.04 0.00 0.01 0.00 0.00 72.50 69.26 2o6m s THR 67 CO -0.04 0.43 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.67 2o6m s ILE 68 N 0.61 0.75 -1.19 1.82 1.01 -0.77 -4.79 121.20 118.64 2o6m s ILE 68 Ca 0.04 -0.32 -0.04 0.00 0.00 0.00 0.00 60.65 60.33 2o6m s ILE 68 Cb -0.13 -0.96 0.00 0.00 0.01 0.00 0.00 42.46 41.39 2o6m s ILE 68 CO 0.01 0.14 1.02 0.59 0.00 0.00 0.00 174.94 176.70 2o6m n ASN 69 N 5.01 -4.02 0.00 3.58 3.02 -1.26 -2.47 115.26 119.11 2o6m n ASN 69 Ca -0.10 -0.54 0.00 0.00 -0.03 0.00 0.00 54.58 53.91 2o6m n ASN 69 Cb 0.49 -4.77 0.00 0.00 -0.61 0.00 0.00 39.78 34.89 2o6m n ASN 69 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2o6m n GLN 70 N -4.30 -0.15 -4.23 3.52 6.02 -1.26 -4.98 117.38 112.00 2o6m n GLN 70 Ca -0.13 0.04 -0.34 0.00 -0.01 0.00 0.00 57.00 56.55 2o6m n GLN 70 Cb 0.61 -3.76 -0.13 0.00 1.02 0.00 0.00 30.24 27.98 2o6m n GLN 70 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2o6m s VAL 71 N -2.10 3.84 0.10 5.09 0.11 -1.03 -5.09 120.40 121.32 2o6m s VAL 71 Ca 0.00 -0.36 -0.30 0.00 -2.93 0.00 0.00 61.98 58.39 2o6m s VAL 71 Cb 0.00 -2.71 -0.06 0.00 -1.53 0.00 0.00 36.38 32.08 2o6m s VAL 71 CO 0.00 0.46 1.06 -0.69 -3.33 0.00 0.00 175.10 172.60 2o6m s VAL 72 N 0.73 4.27 -0.01 2.04 1.01 -1.26 -1.84 120.40 125.34 2o6m s VAL 72 Ca -0.01 1.79 0.07 0.00 0.00 0.00 0.00 61.98 63.82 2o6m s VAL 72 Cb -0.14 -4.14 -0.02 0.00 0.00 0.00 0.00 36.38 32.08 2o6m s VAL 72 CO 0.02 0.23 -0.21 -1.00 0.00 0.00 0.00 175.10 174.14 2o6m s HIS 73 N 0.36 1.85 -0.03 5.22 3.76 -0.39 -5.00 115.29 121.07 2o6m s HIS 73 Ca 0.51 -0.35 -0.04 0.00 -0.15 0.00 0.00 55.06 55.03 2o6m s HIS 73 Cb -0.26 -1.18 0.01 0.00 1.11 0.00 0.00 32.58 32.25 2o6m s HIS 73 CO 0.31 -0.01 0.11 0.50 -0.85 0.00 0.00 174.74 174.79 2o6m s ARG 74 N -0.58 0.19 0.08 1.40 3.52 -1.26 -1.52 118.95 120.78 2o6m s ARG 74 Ca 0.08 0.03 0.01 0.00 -0.13 0.00 0.00 55.73 55.72 2o6m s ARG 74 Cb -0.08 0.09 -0.04 0.00 -1.56 0.00 0.00 34.95 33.36 2o6m s ARG 74 CO -0.00 -0.03 -0.05 -1.58 -0.81 0.00 0.00 175.30 172.82 2o6m s TRP 75 N -0.24 0.76 0.40 5.12 0.51 -0.51 -4.98 118.94 120.00 2o6m s TRP 75 Ca -0.03 -0.93 -0.27 0.00 -2.12 0.00 0.00 56.10 52.75 2o6m s TRP 75 Cb -0.02 -0.47 -0.10 0.00 -0.81 0.00 0.00 33.47 32.08 2o6m s TRP 75 CO 0.00 -0.22 1.42 0.20 -0.51 0.00 0.00 176.95 177.84 2o6m s GLY 76 N -2.90 2.94 0.58 0.98 0.00 -1.26 -0.78 107.32 106.87 2o6m s GLY 76 Ca 0.09 1.45 0.28 0.00 0.00 0.00 0.00 44.72 46.53 2o6m s GLY 76 CO -0.06 2.09 2.10 1.48 0.00 0.00 0.00 173.10 178.70 2o6m h SER 77 N 2.75 0.00 0.03 1.64 4.64 -1.31 -1.70 113.55 119.60 2o6m h SER 77 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 2o6m h SER 77 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2o6m h SER 77 CO 0.63 0.00 -0.34 1.41 -0.87 0.00 0.00 176.83 177.66 2o6m n HIS 78 N -3.89 0.00 0.23 4.77 8.25 -1.26 -4.41 115.22 118.91 2o6m n HIS 78 Ca 0.02 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.60 2o6m n HIS 78 Cb 0.33 -0.02 0.08 0.00 1.12 0.00 0.00 29.99 31.50 2o6m n HIS 78 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 2o6m h THR 79 N 2.50 0.00 -0.79 1.59 1.35 -1.66 -3.39 112.91 112.51 2o6m h THR 79 Ca 0.00 -0.89 0.18 0.00 -0.55 0.00 0.00 66.41 65.15 2o6m h THR 79 Cb 0.73 1.52 -0.12 0.00 -1.73 0.00 0.00 68.15 68.56 2o6m h THR 79 CO 0.00 0.00 0.23 0.58 -0.25 0.00 0.00 175.52 176.08 2o6m h VAL 80 N 0.00 0.50 -0.22 6.82 2.07 -1.77 -1.38 116.25 122.26 2o6m h VAL 80 Ca 0.00 -0.10 0.06 0.00 0.82 0.00 0.00 66.70 67.48 2o6m h VAL 80 Cb 0.94 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 2o6m h VAL 80 CO 0.00 0.06 0.34 -0.65 0.02 0.00 0.00 177.57 177.34 2o6m h PRO 81 N 0.31 0.00 -0.29 1.57 0.11 -1.92 -2.36 132.00 129.42 2o6m h PRO 81 Ca 0.46 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.54 2o6m h PRO 81 Cb 0.81 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.90 2o6m h PRO 81 CO -0.52 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 178.46 2o6m n PHE 82 N -3.46 1.03 0.25 0.65 3.72 -0.52 -4.70 117.46 114.44 2o6m n PHE 82 Ca 0.03 -0.95 0.17 0.00 -0.05 0.00 0.00 57.45 56.64 2o6m n PHE 82 Cb 0.46 -0.35 0.90 0.00 -0.94 0.00 0.00 39.48 39.56 2o6m n PHE 82 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 2o6m h LEU 83 N 1.80 0.00 -2.97 4.37 4.07 -1.48 -1.57 115.31 119.52 2o6m h LEU 83 Ca 0.03 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.99 2o6m h LEU 83 Cb 1.51 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.25 2o6m h LEU 83 CO 0.26 0.00 0.00 0.18 -1.08 0.00 0.00 178.44 177.80 2o6m n LEU 84 N -2.66 3.57 -4.79 1.67 4.32 -1.26 -5.00 117.00 112.85 2o6m n LEU 84 Ca -0.02 -2.25 -0.22 0.00 -0.02 0.00 0.00 56.01 53.50 2o6m n LEU 84 Cb 0.06 -0.38 -0.05 0.00 -1.62 0.00 0.00 43.42 41.42 2o6m n LEU 84 CO 0.15 0.78 -0.19 -1.61 -1.22 0.00 0.00 177.39 175.29 2o6m s GLU 85 N -1.46 2.75 0.44 3.23 0.41 -0.59 -5.07 118.70 118.41 2o6m s GLU 85 Ca 0.35 -1.18 -0.25 0.00 -0.41 0.00 0.00 54.97 53.48 2o6m s GLU 85 Cb 0.22 -2.45 -0.09 0.00 -1.78 0.00 0.00 34.13 30.02 2o6m s GLU 85 CO 0.19 0.35 1.32 -2.30 -0.49 0.00 0.00 175.26 174.33 2o6m n PRO 86 N -1.14 2.00 -0.34 0.39 -0.02 -1.26 -4.89 135.00 129.73 2o6m n PRO 86 Ca -0.07 0.71 0.10 0.00 -2.02 0.00 0.00 63.50 62.22 2o6m n PRO 86 Cb 0.58 -2.47 0.27 0.00 -0.02 0.00 0.00 33.50 31.87 2o6m n PRO 86 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2o6m n ASP 87 N -0.02 3.39 -3.45 2.55 5.68 -1.26 -4.90 116.55 118.54 2o6m n ASP 87 Ca 0.06 -2.05 -0.13 0.00 -0.50 0.00 0.00 54.79 52.17 2o6m n ASP 87 Cb 0.41 -0.43 -0.03 0.00 -1.14 0.00 0.00 41.12 39.93 2o6m n ASP 87 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2o6m s ASN 88 N -0.98 -0.56 -0.21 -1.12 2.20 -1.26 -1.55 114.94 111.46 2o6m s ASN 88 Ca 0.41 0.09 -0.15 0.00 -0.94 0.00 0.00 52.86 52.27 2o6m s ASN 88 Cb 0.22 0.58 0.06 0.00 -2.00 0.00 0.00 41.25 40.12 2o6m s ASN 88 CO 0.27 -0.91 0.54 -0.51 -2.94 0.00 0.00 177.10 173.55 2o6m s ILE 89 N -3.36 -0.01 -1.43 0.54 1.10 -0.10 -4.88 121.20 113.06 2o6m s ILE 89 Ca -0.01 0.03 -0.04 0.00 -0.51 0.00 0.00 60.65 60.13 2o6m s ILE 89 Cb -0.01 -0.77 0.02 0.00 0.15 0.00 0.00 42.46 41.85 2o6m s ILE 89 CO -0.09 0.01 0.32 0.59 -2.11 0.00 0.00 174.94 173.65 2o6m n ASN 90 N 3.61 -5.06 -0.33 4.50 5.03 -1.26 -0.79 115.26 120.96 2o6m n ASN 90 Ca -0.18 -0.14 -0.04 0.00 0.87 0.00 0.00 54.58 55.08 2o6m n ASN 90 Cb 0.57 -4.17 -0.02 0.00 -1.02 0.00 0.00 39.78 35.13 2o6m n ASN 90 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2o6m n GLY 91 N -1.18 0.69 3.36 7.41 0.00 -1.26 -5.01 105.19 109.20 2o6m n GLY 91 Ca -0.13 -0.40 -0.31 0.00 0.00 0.00 0.00 46.02 45.19 2o6m n GLY 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2o6m s LYS 92 N -1.81 2.08 0.28 1.61 1.02 0.03 -5.10 119.74 117.84 2o6m s LYS 92 Ca 0.00 -0.95 -0.29 0.00 0.02 0.00 0.00 55.97 54.75 2o6m s LYS 92 Cb 0.00 -2.10 -0.10 0.00 -0.52 0.00 0.00 37.83 35.12 2o6m s LYS 92 CO 0.00 0.55 1.30 0.99 -0.92 0.00 0.00 175.35 177.27 2o6m s THR 93 N -0.72 2.95 0.26 2.17 2.01 -1.26 -0.92 115.64 120.12 2o6m s THR 93 Ca 0.11 0.88 -0.27 0.00 0.31 0.00 0.00 61.69 62.72 2o6m s THR 93 Cb -0.10 -3.56 -0.09 0.00 0.01 0.00 0.00 72.50 68.76 2o6m s THR 93 CO 0.01 0.18 0.91 0.00 -0.69 0.00 0.00 174.62 175.03 2o6m s THR 95 N -1.36 1.12 -0.33 0.00 -4.23 0.31 -4.87 115.64 106.28 2o6m s THR 95 Ca 0.44 -1.67 -0.29 0.00 -1.18 0.00 0.00 61.69 58.99 2o6m s THR 95 Cb -0.22 -1.43 0.00 0.00 1.34 0.00 0.00 72.50 72.19 2o6m s THR 95 CO 0.28 -0.49 1.34 0.00 -0.54 0.00 0.00 174.62 175.21 2o6m s ALA 96 N -2.29 3.27 -0.43 3.99 0.00 -1.26 -2.05 121.76 123.00 2o6m s ALA 96 Ca 0.07 0.04 -0.14 0.00 0.00 0.00 0.00 51.96 51.92 2o6m s ALA 96 Cb -0.04 -3.82 0.05 0.00 0.00 0.00 0.00 23.12 19.30 2o6m s ALA 96 CO 0.01 -1.95 0.33 0.45 0.00 0.00 0.00 175.76 174.60 2o6m s SER 97 N 3.14 6.05 -0.66 0.00 0.15 0.22 -4.95 113.70 117.65 2o6m s SER 97 Ca 0.58 -1.13 -0.26 0.00 0.70 0.00 0.00 55.95 55.83 2o6m s SER 97 Cb -0.16 -2.14 -0.03 0.00 -1.71 0.00 0.00 66.02 61.98 2o6m s SER 97 CO 0.26 -0.53 1.89 -1.58 1.20 0.00 0.00 173.24 174.48 2o6m s GLN 98 N 1.63 2.60 0.48 5.44 2.00 -1.26 -1.92 119.66 128.62 2o6m s GLN 98 Ca 0.04 0.48 0.18 0.00 -2.00 0.00 0.00 55.36 54.07 2o6m s GLN 98 Cb -0.21 -4.50 1.16 0.00 0.80 0.00 0.00 33.01 30.26 2o6m s GLN 98 CO 0.08 -2.86 2.03 -0.07 -0.50 0.00 0.00 175.29 173.97 2o6m h LEU 99 N 16.76 0.00 -0.35 3.68 4.07 -0.77 -2.43 115.31 136.28 2o6m h LEU 99 Ca -0.20 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.76 2o6m h LEU 99 Cb 1.14 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.88 2o6m h LEU 99 CO 1.22 0.15 -0.23 0.00 -1.08 0.00 0.00 178.44 178.50 2o6m n HIS 101 N -0.86 -1.84 -3.66 0.00 8.25 -0.92 -4.93 115.22 111.28 2o6m n HIS 101 Ca 0.12 0.46 -0.29 0.00 -0.26 0.00 0.00 57.72 57.75 2o6m n HIS 101 Cb 0.32 -3.74 -0.12 0.00 1.12 0.00 0.00 29.99 27.57 2o6m n HIS 101 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 2o6m s ASN 102 N -2.65 3.39 0.22 0.41 2.47 -1.26 -5.04 114.94 112.47 2o6m s ASN 102 Ca 0.32 -2.73 -0.10 0.00 0.42 0.00 0.00 52.86 50.76 2o6m s ASN 102 Cb -0.15 -0.93 0.30 0.00 -1.45 0.00 0.00 41.25 39.02 2o6m s ASN 102 CO 0.39 -0.24 1.31 0.41 -3.72 0.00 0.00 177.10 175.24 2o6m n THR 103 N 3.39 -0.39 0.30 -5.21 -1.04 -1.26 -0.09 114.28 109.98 2o6m n THR 103 Ca 0.13 1.94 0.19 0.00 -2.04 0.00 0.00 64.05 64.27 2o6m n THR 103 Cb 0.37 -2.63 0.98 0.00 -1.82 0.00 0.00 70.33 67.22 2o6m n THR 103 CO 0.00 0.00 0.00 0.03 -0.64 0.00 0.00 175.07 174.46 2o6m h ARG 104 N 0.00 0.00 -6.87 -2.82 3.08 -1.92 -3.43 114.38 102.42 2o6m h ARG 104 Ca 0.35 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.89 2o6m h ARG 104 Cb 0.56 0.00 0.05 0.00 0.08 0.00 0.00 29.97 30.66 2o6m h ARG 104 CO -0.85 0.00 0.57 0.00 -1.07 0.00 0.00 179.97 178.62 2o6m n HIS 106 N 0.76 0.00 -1.77 0.00 8.25 -0.39 -4.93 115.22 117.14 2o6m n HIS 106 Ca 0.01 -0.44 -0.43 0.00 -0.26 0.00 0.00 57.72 56.60 2o6m n HIS 106 Cb 0.43 -0.08 -0.03 0.00 1.12 0.00 0.00 29.99 31.44 2o6m n HIS 106 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 2o6m s ASN 107 N -1.48 6.12 0.63 0.41 3.84 -1.26 -4.85 114.94 118.35 2o6m s ASN 107 Ca 0.11 2.16 0.39 0.00 0.21 0.00 0.00 52.86 55.72 2o6m s ASN 107 Cb 0.10 -2.52 2.16 0.00 -0.55 0.00 0.00 41.25 40.43 2o6m s ASN 107 CO 0.01 -1.39 2.31 1.55 -2.79 0.00 0.00 177.10 176.79 2o6m h PRO 108 N 12.05 0.00 0.00 0.43 0.13 -1.96 0.89 132.00 143.54 2o6m h PRO 108 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2o6m h PRO 108 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2o6m h PRO 108 CO 0.96 0.01 0.00 1.28 -0.23 0.00 0.00 178.00 180.02 2o6m n LEU 109 N -3.36 0.00 -0.61 1.56 4.77 -1.26 -2.75 117.00 115.35 2o6m n LEU 109 Ca -0.03 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.04 2o6m n LEU 109 Cb 0.09 0.00 0.21 0.00 -2.33 0.00 0.00 43.42 41.39 2o6m n LEU 109 CO 0.23 0.00 0.66 1.41 -1.33 0.00 0.00 177.39 178.36 2o6m n HIS 110 N -0.97 0.61 -4.11 -1.77 8.25 0.31 -5.02 115.22 112.52 2o6m n HIS 110 Ca 0.21 -0.89 -0.13 0.00 -0.26 0.00 0.00 57.72 56.66 2o6m n HIS 110 Cb 0.10 -0.24 -0.11 0.00 1.12 0.00 0.00 29.99 30.85 2o6m n HIS 110 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2o6m s LEU 111 N -2.71 2.35 0.20 2.41 1.43 -1.11 0.02 118.68 121.27 2o6m s LEU 111 Ca 0.37 -0.73 -0.01 0.00 -1.03 0.00 0.00 54.13 52.74 2o6m s LEU 111 Cb 0.30 -0.17 -0.04 0.00 0.03 0.00 0.00 46.19 46.31 2o6m s LEU 111 CO 0.07 -0.29 0.11 0.00 0.23 0.00 0.00 176.35 176.48 2o6m s TRP 113 N -4.09 3.41 0.35 0.00 -0.00 -1.26 -0.61 118.94 116.73 2o6m s TRP 113 Ca 0.36 -2.31 -0.13 0.00 -0.00 0.00 0.00 56.10 54.03 2o6m s TRP 113 Cb 0.07 -2.36 0.03 0.00 -0.00 0.00 0.00 33.47 31.21 2o6m s TRP 113 CO 0.11 -0.88 0.67 -1.83 -0.00 0.00 0.00 176.95 175.02 2o6m s GLU 114 N 1.12 2.03 0.89 5.86 -1.05 -0.87 -4.87 118.70 121.82 2o6m s GLU 114 Ca -0.02 -1.45 -0.11 0.00 -0.15 0.00 0.00 54.97 53.25 2o6m s GLU 114 Cb -0.20 0.56 0.13 0.00 -0.44 0.00 0.00 34.13 34.18 2o6m s GLU 114 CO -0.04 -0.91 1.11 -1.54 0.95 0.00 0.00 175.26 174.82 2o6m s SER 115 N -3.09 3.33 0.23 0.83 1.04 -1.26 0.11 113.70 114.90 2o6m s SER 115 Ca 0.19 1.86 -0.06 0.00 0.48 0.00 0.00 55.95 58.42 2o6m s SER 115 Cb -0.04 -2.45 0.22 0.00 0.10 0.00 0.00 66.02 63.86 2o6m s SER 115 CO 0.13 -2.79 1.79 0.25 0.98 0.00 0.00 173.24 173.61 2o6m h LEU 116 N -1.65 1.03 -0.55 2.42 5.85 -1.94 -0.22 115.31 120.25 2o6m h LEU 116 Ca -0.46 -0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.07 2o6m h LEU 116 Cb 1.27 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 42.00 2o6m h LEU 116 CO 0.48 0.93 0.25 0.44 -0.34 0.00 0.00 178.44 180.20 2o6m h ASP 117 N 1.09 0.74 -0.41 1.25 3.45 -1.95 0.53 116.42 121.12 2o6m h ASP 117 Ca 0.25 -0.15 -0.04 0.00 0.43 0.00 0.00 57.03 57.52 2o6m h ASP 117 Cb 0.23 -0.19 -0.02 0.00 -0.56 0.00 0.00 39.33 38.79 2o6m h ASP 117 CO -0.02 0.68 0.09 0.44 -1.57 0.00 0.00 179.24 178.87 2o6m h ASP 118 N 0.75 0.64 0.28 6.45 3.45 -1.86 -2.05 116.42 124.09 2o6m h ASP 118 Ca 0.19 -0.24 0.00 0.00 0.43 0.00 0.00 57.03 57.41 2o6m h ASP 118 Cb 0.15 -0.17 -0.03 0.00 -0.56 0.00 0.00 39.33 38.72 2o6m h ASP 118 CO -0.02 0.71 -0.42 -1.13 -1.57 0.00 0.00 179.24 176.81 2o6m h ASN 119 N 0.53 -1.20 -0.45 6.45 -0.73 -0.69 -2.95 115.58 116.54 2o6m h ASN 119 Ca 0.13 0.12 0.06 0.00 1.87 0.00 0.00 56.30 58.48 2o6m h ASN 119 Cb 0.33 0.43 -0.05 0.00 0.27 0.00 0.00 38.32 39.29 2o6m h ASN 119 CO 0.00 -0.54 0.14 0.11 -0.37 0.00 0.00 177.43 176.78 2o6m h LYS 120 N -0.77 0.30 -1.10 6.67 1.57 -0.88 -2.86 116.57 119.50 2o6m h LYS 120 Ca -0.01 -0.02 0.30 0.00 -1.87 0.00 0.00 60.65 59.05 2o6m h LYS 120 Cb 0.73 -0.07 -0.09 0.00 0.08 0.00 0.00 32.23 32.88 2o6m h LYS 120 CO -0.15 0.20 0.72 0.78 -0.57 0.00 0.00 179.45 180.43 2o6m h GLY 121 N 0.31 1.09 1.98 3.86 0.00 -1.19 -0.50 103.07 108.62 2o6m h GLY 121 Ca 0.21 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.38 2o6m h GLY 121 CO -0.23 -0.17 0.01 3.21 0.00 0.00 0.00 176.54 179.37 2o6m h ARG 122 N 0.29 0.00 0.00 4.80 3.08 -1.49 -1.37 114.38 119.69 2o6m h ARG 122 Ca 0.63 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.67 2o6m h ARG 122 Cb 1.77 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.82 2o6m h ARG 122 CO -0.28 0.00 -0.03 -0.91 -1.07 0.00 0.00 179.97 177.67 2o6m h ASN 123 N 0.00 0.00 -0.09 7.04 2.35 -1.27 -2.80 115.58 120.81 2o6m h ASN 123 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2o6m h ASN 123 Cb 0.02 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.39 2o6m h ASN 123 CO 0.00 0.03 0.00 0.79 -1.65 0.00 0.00 177.43 176.60 2o6m n TRP 124 N -3.37 0.11 -2.08 1.19 8.01 -0.52 -1.37 117.44 119.41 2o6m n TRP 124 Ca -0.02 -0.19 -0.40 0.00 -1.31 0.00 0.00 57.50 55.58 2o6m n TRP 124 Cb 0.15 -0.01 -0.01 0.00 -2.01 0.00 0.00 31.31 29.43 2o6m n TRP 124 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2o6m n PRO 126 N 0.38 0.07 0.00 0.00 -0.04 -1.26 -0.77 135.00 133.38 2o6m n PRO 126 Ca 0.02 0.23 0.00 0.00 -0.04 0.00 0.00 63.50 63.71 2o6m n PRO 126 Cb 0.43 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.39 2o6m n PRO 126 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2o6m n GLY 127 N -0.09 2.26 0.34 0.55 0.00 -1.26 -3.88 105.19 103.10 2o6m n GLY 127 Ca 0.04 -1.91 0.22 0.00 0.00 0.00 0.00 46.02 44.37 2o6m n GLY 127 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2o6m h PRO 128 N 0.00 0.00 -0.16 1.61 0.13 -1.70 -0.75 132.00 131.13 2o6m h PRO 128 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2o6m h PRO 128 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2o6m h PRO 128 CO 0.00 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 177.86 2o6m n ASN 129 N -3.08 2.66 0.00 1.44 3.02 0.04 -4.55 115.26 114.79 2o6m n ASN 129 Ca -0.03 -2.30 0.00 0.00 -0.03 0.00 0.00 54.58 52.22 2o6m n ASN 129 Cb 0.10 -0.22 0.00 0.00 -0.61 0.00 0.00 39.78 39.05 2o6m n ASN 129 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2o6m n GLY 130 N -0.26 0.47 0.00 7.41 0.00 -0.55 -2.99 105.19 109.27 2o6m n GLY 130 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2o6m n GLY 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2o6m n GLY 131 N -0.22 1.69 3.69 -0.02 0.00 -1.09 -4.77 105.19 104.47 2o6m n GLY 131 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 2o6m n GLY 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2o6m n VAL 133 N 2.13 0.95 -2.00 0.00 0.24 -1.26 -4.94 118.33 113.45 2o6m n VAL 133 Ca 0.11 -0.98 -0.42 0.00 -2.04 0.00 0.00 64.34 61.02 2o6m n VAL 133 Cb 0.33 0.53 -0.03 0.00 -1.47 0.00 0.00 33.84 33.20 2o6m n VAL 133 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 2o6m s HIS 134 N -0.98 3.10 0.16 6.34 3.76 -1.26 -4.90 115.29 121.51 2o6m s HIS 134 Ca 0.14 0.77 -0.15 0.00 -0.15 0.00 0.00 55.06 55.67 2o6m s HIS 134 Cb 0.07 -3.85 0.09 0.00 1.11 0.00 0.00 32.58 30.01 2o6m s HIS 134 CO 0.10 -3.05 1.74 0.00 -0.85 0.00 0.00 174.74 172.68 2o6m h ALA 135 N 6.49 0.45 -2.10 -1.40 0.00 -2.05 -2.88 119.26 117.77 2o6m h ALA 135 Ca -0.43 0.06 -0.71 0.00 0.00 0.00 0.00 54.91 53.83 2o6m h ALA 135 Cb 1.21 0.05 -0.20 0.00 0.00 0.00 0.00 17.79 18.86 2o6m h ALA 135 CO 0.88 -0.28 0.54 0.08 0.00 0.00 0.00 179.25 180.47 2o6m s VAL 136 N -6.16 4.90 0.39 0.00 1.01 -1.26 -5.00 120.40 114.29 2o6m s VAL 136 Ca -0.13 -1.58 -0.24 0.00 0.00 0.00 0.00 61.98 60.02 2o6m s VAL 136 Cb 0.13 -4.66 -0.12 0.00 0.00 0.00 0.00 36.38 31.73 2o6m s VAL 136 CO 0.71 -1.34 0.78 0.55 0.00 0.00 0.00 175.10 175.81 2o6m n VAL 137 N 5.21 2.09 -1.90 2.92 3.14 -1.09 -4.98 118.33 123.72 2o6m n VAL 137 Ca 0.14 -0.50 -0.33 0.00 -2.96 0.00 0.00 64.34 60.69 2o6m n VAL 137 Cb 0.47 -0.80 0.03 0.00 -1.06 0.00 0.00 33.84 32.48 2o6m n VAL 137 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2o6m h LEU 139 N 0.25 0.00 -8.13 0.00 3.38 -1.94 -3.38 115.31 105.49 2o6m h LEU 139 Ca -0.47 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.46 2o6m h LEU 139 Cb 1.24 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.94 2o6m h LEU 139 CO 0.56 0.29 0.10 0.00 0.09 0.00 0.00 178.44 179.48 2o6m s ARG 140 N -3.14 1.91 0.37 1.13 1.70 -1.26 -4.82 118.95 114.84 2o6m s ARG 140 Ca -0.01 -1.32 -0.25 0.00 -0.47 0.00 0.00 55.73 53.68 2o6m s ARG 140 Cb 0.09 0.56 -0.09 0.00 -0.57 0.00 0.00 34.95 34.94 2o6m s ARG 140 CO 0.79 -0.86 1.07 -1.14 -1.08 0.00 0.00 175.30 174.09 2o6m s GLN 141 N -3.26 4.27 0.35 3.89 0.74 0.63 -4.38 119.66 121.90 2o6m s GLN 141 Ca 0.18 1.61 -0.28 0.00 0.05 0.00 0.00 55.36 56.92 2o6m s GLN 141 Cb -0.04 -2.71 -0.10 0.00 1.10 0.00 0.00 33.01 31.26 2o6m s GLN 141 CO 0.11 -0.07 1.35 0.20 -0.55 0.00 0.00 175.29 176.33 2o6m s GLY 142 N -1.36 2.98 0.51 2.59 0.00 0.05 -4.87 107.32 107.22 2o6m s GLY 142 Ca 0.54 1.33 0.16 0.00 0.00 0.00 0.00 44.72 46.75 2o6m s GLY 142 CO 0.32 1.98 2.12 -2.55 0.00 0.00 0.00 173.10 174.96 2o6m h PRO 143 N 3.19 0.06 -0.14 2.90 0.11 -1.80 -2.54 132.00 133.78 2o6m h PRO 143 Ca -0.49 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2o6m h PRO 143 Cb 1.23 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2o6m h PRO 143 CO 0.65 0.04 0.00 1.28 -0.21 0.00 0.00 178.00 179.76 2o6m n LEU 144 N -4.51 2.46 -4.76 2.35 4.32 -0.47 -4.96 117.00 111.43 2o6m n LEU 144 Ca -0.01 -0.93 -0.35 0.00 -0.02 0.00 0.00 56.01 54.70 2o6m n LEU 144 Cb 0.15 -0.08 0.03 0.00 -1.62 0.00 0.00 43.42 41.90 2o6m n LEU 144 CO 0.34 0.46 0.82 -0.47 -1.22 0.00 0.00 177.39 177.32 2o6m s TYR 145 N -1.84 2.48 -4.63 -1.77 6.14 -0.96 -4.84 117.35 111.94 2o6m s TYR 145 Ca 0.34 1.53 0.00 0.00 0.64 0.00 0.00 57.07 59.58 2o6m s TYR 145 Cb 0.20 -3.40 0.00 0.00 0.42 0.00 0.00 41.96 39.18 2o6m s TYR 145 CO 0.30 -1.99 0.00 0.41 0.64 0.00 0.00 175.55 174.92 2o6m n GLY 146 N 0.34 0.99 0.26 8.97 0.00 -1.26 -4.89 105.19 109.61 2o6m n GLY 146 Ca 0.13 -1.97 0.11 0.00 0.00 0.00 0.00 46.02 44.29 2o6m n GLY 146 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2o6m h PRO 147 N 6.84 0.00 0.00 1.61 0.11 -2.04 -3.49 132.00 135.03 2o6m h PRO 147 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2o6m h PRO 147 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2o6m h PRO 147 CO 0.00 0.07 0.00 0.41 -0.21 0.00 0.00 178.00 178.27 2o6m n GLY 148 N -1.13 -0.85 2.29 -0.55 0.00 -1.26 -4.79 105.19 98.88 2o6m n GLY 148 Ca -0.03 -1.69 -0.25 0.00 0.00 0.00 0.00 46.02 44.06 2o6m n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2o6m n ALA 149 N -0.69 3.00 -2.60 4.61 0.00 -1.26 -5.09 120.51 118.48 2o6m n ALA 149 Ca 0.00 -3.88 -0.42 0.00 0.00 0.00 0.00 53.44 49.14 2o6m n ALA 149 Cb 0.00 -0.84 -0.03 0.00 0.00 0.00 0.00 19.45 18.58 2o6m n ALA 149 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2o6m s THR 150 N -1.77 4.57 0.05 0.00 2.01 -1.26 -4.95 115.64 114.28 2o6m s THR 150 Ca 0.37 1.85 -0.17 0.00 0.31 0.00 0.00 61.69 64.05 2o6m s THR 150 Cb 0.18 -4.19 -0.18 0.00 0.01 0.00 0.00 72.50 68.32 2o6m s THR 150 CO -0.08 0.06 1.23 0.58 -0.69 0.00 0.00 174.62 175.72 2o6m h VAL 151 N 4.90 1.36 -3.08 3.82 2.07 -2.03 -3.46 116.25 119.83 2o6m h VAL 151 Ca -0.36 -1.87 -0.16 0.00 0.82 0.00 0.00 66.70 65.13 2o6m h VAL 151 Cb 1.18 2.21 -0.26 0.00 -1.52 0.00 0.00 31.29 32.90 2o6m h VAL 151 CO 0.82 0.56 -0.40 0.00 0.02 0.00 0.00 177.57 178.57 2o6m s ALA 152 N -3.64 -0.67 0.45 1.67 0.00 -1.26 -5.17 121.76 113.14 2o6m s ALA 152 Ca -0.12 0.77 0.04 0.00 0.00 0.00 0.00 51.96 52.65 2o6m s ALA 152 Cb 0.06 -0.45 0.07 0.00 0.00 0.00 0.00 23.12 22.80 2o6m s ALA 152 CO 0.84 -0.13 0.57 0.41 0.00 0.00 0.00 175.76 177.44 2o6m n GLY 153 N 2.98 1.56 3.63 0.00 0.00 -1.26 -5.03 105.19 107.07 2o6m n GLY 153 Ca -0.13 -2.14 -0.49 0.00 0.00 0.00 0.00 46.02 43.27 2o6m n GLY 153 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2o6m n PRO 154 N -1.95 1.66 -3.48 1.61 -0.02 -1.26 -4.97 135.00 126.59 2o6m n PRO 154 Ca 0.11 0.60 -0.13 0.00 -2.02 0.00 0.00 63.50 62.05 2o6m n PRO 154 Cb 0.39 -2.28 -0.04 0.00 -0.02 0.00 0.00 33.50 31.56 2o6m n PRO 154 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 2o6m s GLN 155 N 0.51 1.10 0.01 -0.52 -2.07 -1.26 -5.17 119.66 112.25 2o6m s GLN 155 Ca 0.80 -0.15 -0.07 0.00 -1.82 0.00 0.00 55.36 54.11 2o6m s GLN 155 Cb -0.80 0.51 -0.00 0.00 -1.09 0.00 0.00 33.01 31.63 2o6m s GLN 155 CO 0.44 -0.43 0.13 1.14 -1.32 0.00 0.00 175.29 175.25 2o6m s GLN 156 N -2.60 0.50 -0.06 9.60 -2.07 -1.26 -5.06 119.66 118.71 2o6m s GLN 156 Ca -0.03 -0.46 -0.07 0.00 -1.82 0.00 0.00 55.36 52.99 2o6m s GLN 156 Cb -0.01 0.20 -0.28 0.00 -1.09 0.00 0.00 33.01 31.83 2o6m s GLN 156 CO -0.04 -0.12 0.63 0.00 -1.32 0.00 0.00 175.29 174.44 2o6m h ARG 157 N 4.18 0.31 0.00 9.60 3.08 -2.03 -3.48 114.38 126.04 2o6m h ARG 157 Ca -0.31 -0.52 0.00 0.00 0.07 0.00 0.00 59.98 59.22 2o6m h ARG 157 Cb 1.19 0.19 0.00 0.00 0.08 0.00 0.00 29.97 31.44 2o6m h ARG 157 CO 0.42 1.20 0.00 0.41 -1.07 0.00 0.00 179.97 180.92 2o6m n GLY 158 N 1.84 1.78 1.23 0.04 0.00 -1.26 -5.05 105.19 103.77 2o6m n GLY 158 Ca -0.24 -1.74 0.04 0.00 0.00 0.00 0.00 46.02 44.07 2o6m n GLY 158 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2o6m n SER 159 N 0.00 1.00 0.18 1.61 3.41 -1.26 -4.83 113.62 113.73 2o6m n SER 159 Ca 0.00 -2.28 0.14 0.00 -0.26 0.00 0.00 58.87 56.47 2o6m n SER 159 Cb 0.00 -0.32 0.47 0.00 -0.26 0.00 0.00 64.21 64.10 2o6m n SER 159 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 2o6m h HIS 160 N 0.86 0.00 -2.35 7.33 3.86 -1.99 -3.46 115.15 119.39 2o6m h HIS 160 Ca -0.17 0.00 -0.61 0.00 -1.16 0.00 0.00 60.37 58.43 2o6m h HIS 160 Cb 1.70 0.00 -0.15 0.00 1.06 0.00 0.00 27.41 30.03 2o6m h HIS 160 CO 0.24 0.00 -0.77 -0.06 0.86 0.00 0.00 177.93 178.21 2o6m s PHE 161 N -3.34 2.28 0.01 2.45 0.40 -1.26 -5.13 117.98 113.38 2o6m s PHE 161 Ca 0.05 -0.34 0.01 0.00 -0.60 0.00 0.00 56.93 56.05 2o6m s PHE 161 Cb 0.09 -1.00 -0.01 0.00 0.51 0.00 0.00 43.02 42.61 2o6m s PHE 161 CO 0.53 0.68 -0.04 0.54 0.70 0.00 0.00 175.22 177.63 2o6m s VAL 162 N -2.41 0.27 -2.00 -0.44 0.11 -1.26 -5.14 120.40 109.53 2o6m s VAL 162 Ca 0.29 -0.42 0.08 0.00 -2.93 0.00 0.00 61.98 59.00 2o6m s VAL 162 Cb -0.05 -0.29 0.23 0.00 -1.53 0.00 0.00 36.38 34.74 2o6m s VAL 162 CO 0.14 -0.10 0.94 0.55 -3.33 0.00 0.00 175.10 173.30