#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a2l s GLU 4 N 0.00 1.76 -0.09 -0.72 2.12 -1.26 -5.05 118.70 115.45 1a2l s GLU 4 Ca 0.00 -1.59 -0.30 0.00 0.36 0.00 0.00 54.97 53.44 1a2l s GLU 4 Cb 0.00 -1.89 -0.02 0.00 0.26 0.00 0.00 34.13 32.48 1a2l s GLU 4 CO 0.00 0.37 1.09 0.34 -0.54 0.00 0.00 175.26 176.52 1a2l s ASP 5 N -3.19 7.16 0.00 -1.70 2.15 -1.26 -3.04 116.67 116.79 1a2l s ASP 5 Ca 0.27 1.65 0.00 0.00 0.43 0.00 0.00 52.55 54.89 1a2l s ASP 5 Cb -0.07 -2.56 0.00 0.00 -0.30 0.00 0.00 42.92 40.00 1a2l s ASP 5 CO 0.14 -0.52 0.00 0.61 -0.17 0.00 0.00 175.17 175.24 1a2l n GLY 6 N 3.22 0.81 0.07 2.66 0.00 0.22 -4.95 105.19 107.21 1a2l n GLY 6 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1a2l n GLY 6 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1a2l n LYS 7 N -1.55 0.00 0.09 1.61 -0.00 -1.17 -4.82 118.16 112.33 1a2l n LYS 7 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 58.31 58.43 1a2l n LYS 7 Cb 0.00 -0.09 0.16 0.00 -0.00 0.00 0.00 35.03 35.10 1a2l n LYS 7 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.40 179.36 1a2l h GLN 8 N 0.00 0.00 -2.83 -1.58 7.50 -1.67 -3.36 115.11 113.17 1a2l h GLN 8 Ca 0.00 0.00 0.09 0.00 0.50 0.00 0.00 58.65 59.24 1a2l h GLN 8 Cb 0.00 0.00 -0.05 0.00 0.05 0.00 0.00 27.48 27.48 1a2l h GLN 8 CO 0.00 0.00 0.30 1.52 -1.50 0.00 0.00 178.83 179.15 1a2l s TYR 9 N -3.20 -0.15 0.27 2.96 1.13 -1.25 -1.58 117.35 115.52 1a2l s TYR 9 Ca 0.05 -0.29 0.02 0.00 -1.41 0.00 0.00 57.07 55.44 1a2l s TYR 9 Cb 0.12 0.70 -0.05 0.00 -1.10 0.00 0.00 41.96 41.63 1a2l s TYR 9 CO 0.72 -1.16 0.11 0.95 -2.51 0.00 0.00 175.55 173.65 1a2l s THR 10 N -3.62 0.51 0.00 -3.49 -4.23 0.01 0.71 115.64 105.53 1a2l s THR 10 Ca 0.12 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 58.71 1a2l s THR 10 Cb -0.05 -2.61 -0.02 0.00 1.34 0.00 0.00 72.50 71.16 1a2l s THR 10 CO 0.06 0.00 -0.24 -0.89 -0.54 0.00 0.00 174.62 173.01 1a2l s THR 11 N -3.71 1.91 0.19 3.99 2.01 -1.26 -1.30 115.64 117.46 1a2l s THR 11 Ca 0.37 -1.11 -0.27 0.00 0.31 0.00 0.00 61.69 60.99 1a2l s THR 11 Cb 0.07 -1.60 -0.08 0.00 0.01 0.00 0.00 72.50 70.90 1a2l s THR 11 CO 0.14 0.46 0.83 -0.76 -0.69 0.00 0.00 174.62 174.61 1a2l s LEU 12 N -0.76 4.61 0.00 4.42 1.43 -0.62 -4.93 118.68 122.82 1a2l s LEU 12 Ca 0.10 1.74 0.18 0.00 -1.03 0.00 0.00 54.13 55.11 1a2l s LEU 12 Cb -0.09 -3.39 0.82 0.00 0.03 0.00 0.00 46.19 43.56 1a2l s LEU 12 CO -0.00 0.19 1.58 -0.62 0.23 0.00 0.00 176.35 177.72 1a2l n GLU 13 N 1.60 0.09 -3.33 1.70 1.02 -1.26 -4.09 120.64 116.37 1a2l n GLU 13 Ca -0.04 0.16 -0.17 0.00 -0.02 0.00 0.00 57.16 57.09 1a2l n GLU 13 Cb 0.48 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.33 1a2l n GLU 13 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1a2l s LYS 14 N -2.86 0.69 0.73 3.49 1.02 -1.26 -5.15 119.74 116.40 1a2l s LYS 14 Ca 0.12 -1.02 -0.14 0.00 0.02 0.00 0.00 55.97 54.95 1a2l s LYS 14 Cb 0.12 -0.77 0.04 0.00 -0.52 0.00 0.00 37.83 36.70 1a2l s LYS 14 CO 0.31 -1.22 1.17 -1.25 -0.92 0.00 0.00 175.35 173.44 1a2l s PRO 15 N 1.24 2.24 -0.31 -1.68 0.04 -1.26 -4.98 135.00 130.31 1a2l s PRO 15 Ca 0.19 1.62 -0.12 0.00 0.04 0.00 0.00 61.00 62.73 1a2l s PRO 15 Cb -0.13 -1.86 -0.03 0.00 0.04 0.00 0.00 34.50 32.51 1a2l s PRO 15 CO -0.04 -1.72 0.21 0.08 0.04 0.00 0.00 177.00 175.57 1a2l s VAL 16 N -2.17 5.27 0.30 -0.36 1.01 0.82 -5.01 120.40 120.26 1a2l s VAL 16 Ca 0.71 -0.02 -0.28 0.00 0.00 0.00 0.00 61.98 62.38 1a2l s VAL 16 Cb -0.26 -3.60 -0.09 0.00 0.00 0.00 0.00 36.38 32.43 1a2l s VAL 16 CO 0.46 0.13 1.03 0.00 0.00 0.00 0.00 175.10 176.71 1a2l s ALA 17 N 1.74 3.31 0.00 5.51 0.00 -1.26 -3.39 121.76 127.67 1a2l s ALA 17 Ca 0.07 0.75 0.00 0.00 0.00 0.00 0.00 51.96 52.77 1a2l s ALA 17 Cb -0.17 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.68 1a2l s ALA 17 CO 0.11 -0.04 0.00 0.41 0.00 0.00 0.00 175.76 176.24 1a2l n GLY 18 N 1.03 0.68 3.78 0.00 0.00 -1.26 -5.01 105.19 104.42 1a2l n GLY 18 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1a2l n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a2l s ALA 19 N -2.96 2.71 1.05 4.61 0.00 -1.22 -5.01 121.76 120.94 1a2l s ALA 19 Ca 0.00 0.67 -0.14 0.00 0.00 0.00 0.00 51.96 52.49 1a2l s ALA 19 Cb 0.00 -3.31 0.15 0.00 0.00 0.00 0.00 23.12 19.96 1a2l s ALA 19 CO 0.00 -0.73 0.63 -2.30 0.00 0.00 0.00 175.76 173.36 1a2l n PRO 20 N -1.48 -1.29 -0.01 0.00 -0.02 -1.26 -4.65 135.00 126.28 1a2l n PRO 20 Ca 0.10 -0.34 -0.13 0.00 -2.02 0.00 0.00 63.50 61.12 1a2l n PRO 20 Cb 0.52 -2.01 -0.08 0.00 -0.02 0.00 0.00 33.50 31.90 1a2l n PRO 20 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 1a2l h GLN 21 N -2.09 0.07 -3.44 -0.52 4.20 -1.92 -3.31 115.11 108.11 1a2l h GLN 21 Ca -0.51 -0.03 -0.54 0.00 0.06 0.00 0.00 58.65 57.63 1a2l h GLN 21 Cb 1.31 -0.00 -0.40 0.00 0.30 0.00 0.00 27.48 28.69 1a2l h GLN 21 CO 0.41 0.40 -0.76 0.08 -0.67 0.00 0.00 178.83 178.29 1a2l s VAL 22 N -4.80 0.53 -0.19 -0.54 1.01 -1.25 0.73 120.40 115.89 1a2l s VAL 22 Ca -0.15 -0.82 -0.04 0.00 0.00 0.00 0.00 61.98 60.97 1a2l s VAL 22 Cb 0.04 -1.20 -0.02 0.00 0.00 0.00 0.00 36.38 35.20 1a2l s VAL 22 CO 0.68 -0.41 -0.03 -0.22 0.00 0.00 0.00 175.10 175.12 1a2l s LEU 23 N 1.83 3.07 0.09 3.92 0.20 -0.34 -0.33 118.68 127.12 1a2l s LEU 23 Ca 0.03 -0.27 0.06 0.00 0.69 0.00 0.00 54.13 54.63 1a2l s LEU 23 Cb -0.17 -1.77 -0.04 0.00 -0.43 0.00 0.00 46.19 43.78 1a2l s LEU 23 CO -0.17 0.06 -0.03 -0.70 -0.29 0.00 0.00 176.35 175.22 1a2l s GLU 24 N 1.03 2.40 -0.10 1.98 2.12 0.15 -0.58 118.70 125.70 1a2l s GLU 24 Ca 0.01 -0.90 0.02 0.00 0.36 0.00 0.00 54.97 54.46 1a2l s GLU 24 Cb -0.15 -2.46 0.01 0.00 0.26 0.00 0.00 34.13 31.79 1a2l s GLU 24 CO 0.01 0.53 -0.17 -0.06 -0.54 0.00 0.00 175.26 175.03 1a2l s PHE 25 N -1.28 2.00 0.14 5.30 0.08 0.35 -1.01 117.98 123.56 1a2l s PHE 25 Ca 0.24 -0.87 0.03 0.00 0.12 0.00 0.00 56.93 56.46 1a2l s PHE 25 Cb -0.11 -1.41 -0.01 0.00 -0.57 0.00 0.00 43.02 40.91 1a2l s PHE 25 CO 0.17 -0.41 0.12 1.97 -0.10 0.00 0.00 175.22 176.97 1a2l n PHE 26 N 3.92 -0.35 -3.63 0.36 -1.74 -0.87 -2.53 117.46 112.61 1a2l n PHE 26 Ca -0.20 -1.15 -0.03 0.00 -0.56 0.00 0.00 57.45 55.51 1a2l n PHE 26 Cb 0.52 0.13 -0.05 0.00 1.52 0.00 0.00 39.48 41.59 1a2l n PHE 26 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 1a2l s SER 27 N -1.96 -1.02 0.00 5.98 0.15 -1.26 -1.51 113.70 114.07 1a2l s SER 27 Ca 0.16 1.48 0.01 0.00 0.70 0.00 0.00 55.95 58.29 1a2l s SER 27 Cb 0.01 1.95 0.03 0.00 -1.71 0.00 0.00 66.02 66.30 1a2l s SER 27 CO 0.12 -0.21 0.78 0.49 1.20 0.00 0.00 173.24 175.61 1a2l n PHE 28 N 5.01 0.00 -0.07 3.44 3.72 -1.26 -1.34 117.46 126.97 1a2l n PHE 28 Ca -0.14 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.18 1a2l n PHE 28 Cb 0.53 -0.26 -0.15 0.00 -0.94 0.00 0.00 39.48 38.66 1a2l n PHE 28 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1a2l n PHE 29 N -1.26 0.31 -2.35 1.38 3.72 -1.26 -4.48 117.46 113.52 1a2l n PHE 29 Ca 0.00 0.11 -0.42 0.00 -0.05 0.00 0.00 57.45 57.09 1a2l n PHE 29 Cb 0.00 -1.02 -0.03 0.00 -0.94 0.00 0.00 39.48 37.50 1a2l n PHE 29 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1a2l h PRO 31 N 7.35 0.45 -0.40 0.00 0.11 -1.93 -2.00 132.00 135.57 1a2l h PRO 31 Ca -0.38 -0.06 0.05 0.00 0.11 0.00 0.00 66.00 65.72 1a2l h PRO 31 Cb 1.18 -0.08 -0.05 0.00 0.11 0.00 0.00 31.00 32.16 1a2l h PRO 31 CO 0.87 0.40 0.13 0.45 -0.21 0.00 0.00 178.00 179.64 1a2l h HIS 32 N 0.38 0.23 -0.29 0.65 3.86 -1.92 -0.60 115.15 117.46 1a2l h HIS 32 Ca 0.11 0.02 0.03 0.00 -1.16 0.00 0.00 60.37 59.37 1a2l h HIS 32 Cb 0.09 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 28.51 1a2l h HIS 32 CO -0.02 0.08 0.19 0.00 0.86 0.00 0.00 177.93 179.04 1a2l h TYR 34 N 0.27 -0.43 0.00 0.00 5.03 -0.38 -2.83 116.97 118.63 1a2l h TYR 34 Ca 0.12 -0.01 -0.05 0.00 2.58 0.00 0.00 58.73 61.37 1a2l h TYR 34 Cb 0.14 0.14 -0.01 0.00 1.55 0.00 0.00 36.73 38.55 1a2l h TYR 34 CO -0.00 -0.18 -0.24 1.96 -1.32 0.00 0.00 178.16 178.38 1a2l h GLN 35 N -0.62 0.00 0.00 1.82 4.20 -0.95 0.72 115.11 120.28 1a2l h GLN 35 Ca -0.05 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.66 1a2l h GLN 35 Cb 0.45 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.23 1a2l h GLN 35 CO 0.08 0.24 -0.01 0.35 -0.67 0.00 0.00 178.83 178.82 1a2l h PHE 36 N 0.00 0.00 0.00 2.96 3.57 -0.33 0.29 116.94 123.42 1a2l h PHE 36 Ca -0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1a2l h PHE 36 Cb 0.67 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.41 1a2l h PHE 36 CO 0.00 0.01 -0.17 0.39 -2.23 0.00 0.00 178.31 176.31 1a2l n GLU 37 N -3.35 0.00 -0.26 1.11 1.02 -1.04 -0.35 120.64 117.77 1a2l n GLU 37 Ca -0.03 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.12 1a2l n GLU 37 Cb 0.10 -0.18 0.22 0.00 -0.02 0.00 0.00 31.44 31.57 1a2l n GLU 37 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1a2l h GLU 38 N 0.00 1.05 0.00 3.49 4.39 -1.06 -1.29 114.58 121.16 1a2l h GLU 38 Ca 0.00 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.64 1a2l h GLU 38 Cb 0.17 -0.24 0.00 0.00 -0.10 0.00 0.00 28.75 28.59 1a2l h GLU 38 CO 0.00 0.69 -0.75 0.28 -1.16 0.00 0.00 179.01 178.07 1a2l n VAL 39 N -4.43 1.26 0.13 3.13 0.31 -1.22 -4.69 118.33 112.83 1a2l n VAL 39 Ca 0.10 0.21 0.01 0.00 -0.01 0.00 0.00 64.34 64.65 1a2l n VAL 39 Cb 0.06 -2.24 0.08 0.00 -0.91 0.00 0.00 33.84 30.83 1a2l n VAL 39 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1a2l h LEU 40 N -0.85 0.00 -2.18 7.52 4.07 -0.57 -3.49 115.31 119.80 1a2l h LEU 40 Ca 0.00 0.00 -0.35 0.00 0.08 0.00 0.00 57.88 57.61 1a2l h LEU 40 Cb 0.75 0.00 0.13 0.00 1.08 0.00 0.00 40.66 42.62 1a2l h LEU 40 CO 0.00 0.59 -0.84 1.41 -1.08 0.00 0.00 178.44 178.52 1a2l n HIS 41 N -3.36 -2.14 -0.00 1.13 8.25 -0.49 -4.91 115.22 113.69 1a2l n HIS 41 Ca 0.01 0.81 -0.08 0.00 -0.26 0.00 0.00 57.72 58.19 1a2l n HIS 41 Cb 0.72 -4.32 0.09 0.00 1.12 0.00 0.00 29.99 27.60 1a2l n HIS 41 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1a2l h ILE 42 N -1.64 1.31 -0.16 1.59 1.08 -0.93 -3.07 117.51 115.69 1a2l h ILE 42 Ca -0.61 -1.64 -0.01 0.00 -0.39 0.00 0.00 64.86 62.21 1a2l h ILE 42 Cb 1.34 1.62 -0.01 0.00 -3.07 0.00 0.00 36.82 36.70 1a2l h ILE 42 CO 0.50 0.51 0.07 0.28 -0.69 0.00 0.00 178.15 178.82 1a2l h SER 43 N 0.46 0.22 -0.49 1.72 0.02 -1.92 -2.31 113.55 111.24 1a2l h SER 43 Ca 0.03 -0.15 -0.03 0.00 -0.84 0.00 0.00 61.79 60.80 1a2l h SER 43 Cb 0.96 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 63.42 1a2l h SER 43 CO 0.09 0.31 0.20 0.44 -1.14 0.00 0.00 176.83 176.72 1a2l h ASP 44 N 0.11 0.67 -0.62 3.07 3.32 -1.94 -2.38 116.42 118.65 1a2l h ASP 44 Ca 0.05 -0.16 0.02 0.00 0.02 0.00 0.00 57.03 56.96 1a2l h ASP 44 Cb 0.16 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.50 1a2l h ASP 44 CO -0.01 0.65 0.41 0.78 -1.72 0.00 0.00 179.24 179.36 1a2l h ASN 45 N 0.65 0.67 0.06 6.45 2.35 -1.48 -1.95 115.58 122.33 1a2l h ASN 45 Ca 0.16 -0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.90 1a2l h ASN 45 Cb 0.18 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.39 1a2l h ASN 45 CO -0.01 0.47 -0.03 0.58 -1.65 0.00 0.00 177.43 176.79 1a2l h VAL 46 N 0.78 1.08 0.00 2.81 2.07 -1.06 -2.89 116.25 119.05 1a2l h VAL 46 Ca 0.24 -0.47 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 1a2l h VAL 46 Cb 0.00 1.39 -0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1a2l h VAL 46 CO -0.06 0.12 -0.02 0.11 0.02 0.00 0.00 177.57 177.73 1a2l h LYS 47 N -0.30 0.00 0.00 1.57 6.56 -0.93 -1.01 116.57 122.46 1a2l h LYS 47 Ca -0.01 0.00 -0.09 0.00 -1.06 0.00 0.00 60.65 59.49 1a2l h LYS 47 Cb 0.26 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.91 1a2l h LYS 47 CO 0.01 0.02 -0.45 0.87 -2.06 0.00 0.00 179.45 177.85 1a2l h LYS 48 N 0.00 0.00 -0.12 3.15 1.57 -1.15 -3.18 116.57 116.83 1a2l h LYS 48 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1a2l h LYS 48 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1a2l h LYS 48 CO 0.00 0.45 0.00 1.63 -0.57 0.00 0.00 179.45 180.96 1a2l n LYS 49 N -3.45 1.38 -2.25 3.15 5.02 -0.54 -5.01 118.16 116.47 1a2l n LYS 49 Ca 0.00 -1.53 -0.42 0.00 -2.02 0.00 0.00 58.31 54.35 1a2l n LYS 49 Cb 0.59 -1.28 -0.03 0.00 -0.02 0.00 0.00 35.03 34.30 1a2l n LYS 49 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1a2l s LEU 50 N -1.09 4.40 0.92 -0.35 1.43 -0.50 -4.74 118.68 118.75 1a2l s LEU 50 Ca 0.19 2.31 -0.10 0.00 -1.03 0.00 0.00 54.13 55.49 1a2l s LEU 50 Cb 0.12 -3.60 0.14 0.00 0.03 0.00 0.00 46.19 42.88 1a2l s LEU 50 CO 0.17 -0.54 1.09 -2.65 0.23 0.00 0.00 176.35 174.65 1a2l n PRO 51 N 3.22 -0.45 -1.86 1.29 -0.02 -1.26 -4.90 135.00 131.02 1a2l n PRO 51 Ca 0.08 -0.07 -0.42 0.00 -2.02 0.00 0.00 63.50 61.08 1a2l n PRO 51 Cb 0.43 -2.34 -0.03 0.00 -0.02 0.00 0.00 33.50 31.55 1a2l n PRO 51 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 1a2l s GLU 52 N -4.56 4.18 0.00 -0.52 1.03 -1.26 -2.04 118.70 115.53 1a2l s GLU 52 Ca 0.66 2.47 0.00 0.00 0.03 0.00 0.00 54.97 58.13 1a2l s GLU 52 Cb -0.23 -3.10 0.00 0.00 -0.80 0.00 0.00 34.13 30.01 1a2l s GLU 52 CO 0.59 -0.62 0.00 0.41 -1.33 0.00 0.00 175.26 174.30 1a2l n GLY 53 N 3.20 2.85 3.64 -3.83 0.00 -1.26 -5.02 105.19 104.76 1a2l n GLY 53 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 1a2l n GLY 53 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a2l s VAL 54 N -2.25 5.05 0.28 1.61 1.01 -0.87 -5.07 120.40 120.16 1a2l s VAL 54 Ca 0.00 1.01 0.11 0.00 0.00 0.00 0.00 61.98 63.10 1a2l s VAL 54 Cb 0.00 -3.88 -0.05 0.00 0.00 0.00 0.00 36.38 32.46 1a2l s VAL 54 CO 0.00 0.10 -0.12 -1.59 0.00 0.00 0.00 175.10 173.49 1a2l s LYS 55 N 2.14 1.93 0.22 2.72 0.00 -1.26 -4.73 119.74 120.76 1a2l s LYS 55 Ca 0.24 -1.63 0.07 0.00 0.00 0.00 0.00 55.97 54.65 1a2l s LYS 55 Cb -0.16 -1.93 -0.04 0.00 0.00 0.00 0.00 37.83 35.71 1a2l s LYS 55 CO 0.09 0.34 0.15 1.41 0.00 0.00 0.00 175.35 177.34 1a2l s MET 56 N -3.58 2.85 -0.01 1.78 1.75 -1.26 -3.85 119.30 116.98 1a2l s MET 56 Ca 0.31 -1.02 0.01 0.00 -1.25 0.00 0.00 55.69 53.73 1a2l s MET 56 Cb -0.05 -2.55 0.01 0.00 2.84 0.00 0.00 34.83 35.07 1a2l s MET 56 CO 0.17 0.43 -0.03 0.99 -0.65 0.00 0.00 175.02 175.93 1a2l s THR 57 N -2.01 0.30 -0.11 10.11 2.01 0.55 -4.99 115.64 121.51 1a2l s THR 57 Ca 0.32 -0.09 0.03 0.00 0.31 0.00 0.00 61.69 62.25 1a2l s THR 57 Cb -0.08 -0.30 0.01 0.00 0.01 0.00 0.00 72.50 72.13 1a2l s THR 57 CO 0.24 0.12 -0.20 -0.54 -0.69 0.00 0.00 174.62 173.55 1a2l s LYS 58 N 0.33 2.67 -0.05 4.92 1.02 -1.26 0.32 119.74 127.69 1a2l s LYS 58 Ca -0.03 -0.74 0.05 0.00 0.02 0.00 0.00 55.97 55.27 1a2l s LYS 58 Cb -0.06 -2.12 -0.02 0.00 -0.52 0.00 0.00 37.83 35.11 1a2l s LYS 58 CO -0.01 0.05 -0.20 0.71 -0.92 0.00 0.00 175.35 174.99 1a2l s TYR 59 N 0.66 2.54 0.04 3.18 2.02 -0.18 -4.96 117.35 120.65 1a2l s TYR 59 Ca -0.12 -0.38 -0.20 0.00 -0.37 0.00 0.00 57.07 56.00 1a2l s TYR 59 Cb -0.16 -1.60 -0.06 0.00 -0.40 0.00 0.00 41.96 39.74 1a2l s TYR 59 CO 0.03 0.01 0.57 -1.58 -1.57 0.00 0.00 175.55 173.01 1a2l s HIS 60 N -0.52 3.75 0.30 2.71 2.46 -1.26 -2.05 115.29 120.69 1a2l s HIS 60 Ca 0.07 1.23 -0.00 0.00 0.47 0.00 0.00 55.06 56.82 1a2l s HIS 60 Cb -0.11 -2.53 -0.04 0.00 -0.13 0.00 0.00 32.58 29.77 1a2l s HIS 60 CO 0.01 0.50 0.50 0.14 -2.47 0.00 0.00 174.74 173.42 1a2l s VAL 61 N -0.75 5.13 -0.16 0.89 -7.23 -0.57 -4.85 120.40 112.86 1a2l s VAL 61 Ca 0.29 -0.40 0.17 0.00 -1.81 0.00 0.00 61.98 60.23 1a2l s VAL 61 Cb -0.19 -3.81 0.33 0.00 0.56 0.00 0.00 36.38 33.27 1a2l s VAL 61 CO 0.18 -0.42 1.21 -0.46 -0.31 0.00 0.00 175.10 175.30 1a2l n ASN 62 N -1.39 2.73 -0.94 4.85 6.94 -1.26 -4.63 115.26 121.57 1a2l n ASN 62 Ca -0.05 -2.96 0.09 0.00 -0.02 0.00 0.00 54.58 51.64 1a2l n ASN 62 Cb 0.55 -0.42 0.24 0.00 -2.36 0.00 0.00 39.78 37.79 1a2l n ASN 62 CO 0.00 0.00 0.00 2.22 -1.03 0.00 0.00 177.26 178.45 1a2l n PHE 63 N -1.08 0.66 -4.36 -2.53 1.16 -1.26 -4.56 117.46 105.48 1a2l n PHE 63 Ca 0.16 -0.33 -0.20 0.00 -1.87 0.00 0.00 57.45 55.22 1a2l n PHE 63 Cb 0.67 0.00 -0.15 0.00 -1.61 0.00 0.00 39.48 38.39 1a2l n PHE 63 CO 0.00 0.00 0.00 1.41 -1.87 0.00 0.00 176.76 176.30 1a2l s MET 64 N -1.34 0.85 0.00 3.97 1.75 -1.26 -4.80 119.30 118.46 1a2l s MET 64 Ca 0.35 -0.30 0.00 0.00 -1.25 0.00 0.00 55.69 54.49 1a2l s MET 64 Cb 0.18 -0.81 0.00 0.00 2.84 0.00 0.00 34.83 37.04 1a2l s MET 64 CO 0.24 0.13 0.00 0.41 -0.65 0.00 0.00 175.02 175.15 1a2l n GLY 65 N 3.16 0.74 7.00 2.11 0.00 -1.26 -4.03 105.19 112.92 1a2l n GLY 65 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1a2l n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a2l n GLY 66 N -2.33 0.82 0.24 -0.02 0.00 -1.26 -3.26 105.19 99.38 1a2l n GLY 66 Ca 0.00 -0.78 0.07 0.00 0.00 0.00 0.00 46.02 45.31 1a2l n GLY 66 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1a2l h ASP 67 N 8.86 0.00 -0.43 1.61 3.32 -1.93 -1.57 116.42 126.29 1a2l h ASP 67 Ca 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 1a2l h ASP 67 Cb 0.00 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 1a2l h ASP 67 CO 0.00 0.10 0.18 0.25 -1.72 0.00 0.00 179.24 178.05 1a2l h LEU 68 N 0.00 0.62 -0.58 1.55 6.46 -1.91 0.71 115.31 122.17 1a2l h LEU 68 Ca -0.00 -0.07 -0.14 0.00 -0.12 0.00 0.00 57.88 57.54 1a2l h LEU 68 Cb 0.18 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 39.94 1a2l h LEU 68 CO 0.01 0.58 -0.39 1.23 -0.62 0.00 0.00 178.44 179.25 1a2l h GLY 69 N 0.84 0.76 2.00 3.75 0.00 -1.34 0.17 103.07 109.24 1a2l h GLY 69 Ca 0.16 -0.76 -0.02 0.00 0.00 0.00 0.00 47.33 46.71 1a2l h GLY 69 CO -0.01 0.69 -0.11 1.70 0.00 0.00 0.00 176.54 178.80 1a2l h LYS 70 N 0.57 0.00 0.13 4.80 3.11 -0.81 -1.28 116.57 123.09 1a2l h LYS 70 Ca 0.05 0.00 -0.32 0.00 -2.81 0.00 0.00 60.65 57.57 1a2l h LYS 70 Cb 0.92 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.15 1a2l h LYS 70 CO 0.08 0.11 -1.61 -0.44 -2.81 0.00 0.00 179.45 174.78 1a2l h ASP 71 N 0.00 0.42 -0.09 4.20 3.32 -0.07 -3.20 116.42 120.99 1a2l h ASP 71 Ca -0.00 -0.62 -0.06 0.00 0.02 0.00 0.00 57.03 56.37 1a2l h ASP 71 Cb 0.27 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 1a2l h ASP 71 CO 0.01 1.52 -0.12 -0.07 -1.72 0.00 0.00 179.24 178.86 1a2l h LEU 72 N 0.07 0.40 -0.89 1.55 3.38 -0.07 0.33 115.31 120.08 1a2l h LEU 72 Ca -0.28 -0.10 -0.09 0.00 0.09 0.00 0.00 57.88 57.51 1a2l h LEU 72 Cb 2.03 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 42.66 1a2l h LEU 72 CO 0.16 0.56 -0.15 0.74 0.09 0.00 0.00 178.44 179.84 1a2l h THR 73 N 0.39 1.25 0.03 0.22 2.02 -1.36 0.33 112.91 115.80 1a2l h THR 73 Ca 0.08 -1.16 -0.22 0.00 0.77 0.00 0.00 66.41 65.87 1a2l h THR 73 Cb 0.45 1.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.99 1a2l h THR 73 CO 0.03 0.39 -0.99 -0.61 0.37 0.00 0.00 175.52 174.70 1a2l h GLN 74 N 0.59 0.24 -0.01 6.66 4.15 -1.35 -2.30 115.11 123.10 1a2l h GLN 74 Ca 0.10 -0.30 -0.12 0.00 0.77 0.00 0.00 58.65 59.10 1a2l h GLN 74 Cb 0.59 0.10 -0.02 0.00 0.21 0.00 0.00 27.48 28.36 1a2l h GLN 74 CO 0.04 1.05 -0.54 0.00 -1.93 0.00 0.00 178.83 177.45 1a2l h ALA 75 N 0.83 1.07 -0.04 3.38 0.00 0.03 -1.97 119.26 122.56 1a2l h ALA 75 Ca -0.07 -0.50 -0.13 0.00 0.00 0.00 0.00 54.91 54.22 1a2l h ALA 75 Cb 1.66 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.35 1a2l h ALA 75 CO 0.16 0.68 -0.55 2.35 0.00 0.00 0.00 179.25 181.89 1a2l h TRP 76 N 0.03 0.15 -0.30 0.00 -0.00 -0.23 -1.75 115.95 113.85 1a2l h TRP 76 Ca -0.00 -0.05 -0.14 0.00 -0.00 0.00 0.00 58.89 58.69 1a2l h TRP 76 Cb 0.97 -0.03 -0.01 0.00 -0.00 0.00 0.00 29.16 30.10 1a2l h TRP 76 CO 0.00 0.65 -0.40 0.00 -0.00 0.00 0.00 178.44 178.69 1a2l h ALA 77 N 1.34 0.73 -0.74 2.65 0.00 -0.95 -2.19 119.26 120.11 1a2l h ALA 77 Ca -0.00 -0.45 -0.06 0.00 0.00 0.00 0.00 54.91 54.40 1a2l h ALA 77 Cb 1.00 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 1a2l h ALA 77 CO 0.08 0.66 0.22 0.28 0.00 0.00 0.00 179.25 180.49 1a2l h VAL 78 N 0.59 1.26 -0.33 0.00 2.07 -1.01 0.62 116.25 119.46 1a2l h VAL 78 Ca 0.05 -0.92 0.00 0.00 0.82 0.00 0.00 66.70 66.65 1a2l h VAL 78 Cb 0.94 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 1a2l h VAL 78 CO 0.09 0.36 0.21 0.00 0.02 0.00 0.00 177.57 178.25 1a2l h ALA 79 N 1.11 0.41 -0.31 1.67 0.00 -1.09 -0.71 119.26 120.36 1a2l h ALA 79 Ca 0.24 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.99 1a2l h ALA 79 Cb 0.32 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1a2l h ALA 79 CO -0.01 -0.13 -0.38 0.52 0.00 0.00 0.00 179.25 179.25 1a2l h MET 80 N 0.43 0.72 0.03 0.00 2.86 -1.13 0.51 114.93 118.36 1a2l h MET 80 Ca 0.12 -0.37 -0.00 0.00 -2.06 0.00 0.00 59.70 57.39 1a2l h MET 80 Cb -0.04 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.62 1a2l h MET 80 CO -0.03 0.98 -0.02 0.00 1.06 0.00 0.00 176.91 178.90 1a2l h ALA 81 N 0.98 -0.04 -0.00 6.32 0.00 -0.55 -2.13 119.26 123.83 1a2l h ALA 81 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1a2l h ALA 81 Cb 0.92 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1a2l h ALA 81 CO 0.08 -0.52 -0.09 1.28 0.00 0.00 0.00 179.25 180.00 1a2l n LEU 82 N -5.11 0.15 -2.70 0.00 4.77 -0.30 -4.94 117.00 108.88 1a2l n LEU 82 Ca -0.07 0.29 -0.12 0.00 -0.03 0.00 0.00 56.01 56.08 1a2l n LEU 82 Cb 0.05 -0.36 0.06 0.00 -2.33 0.00 0.00 43.42 40.84 1a2l n LEU 82 CO 0.33 0.03 0.07 0.61 -1.33 0.00 0.00 177.39 177.11 1a2l n GLY 83 N 1.42 -0.16 1.02 -0.72 0.00 0.49 -4.97 105.19 102.27 1a2l n GLY 83 Ca 0.10 -0.04 0.04 0.00 0.00 0.00 0.00 46.02 46.12 1a2l n GLY 83 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1a2l n VAL 84 N -3.14 1.49 -0.05 1.61 0.24 0.15 -4.88 118.33 113.75 1a2l n VAL 84 Ca -0.19 -2.57 -0.09 0.00 -2.04 0.00 0.00 64.34 59.46 1a2l n VAL 84 Cb 0.62 0.15 -0.02 0.00 -1.47 0.00 0.00 33.84 33.12 1a2l n VAL 84 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 1a2l h GLU 85 N 1.10 -0.28 0.00 7.34 3.07 -1.94 -0.94 114.58 122.94 1a2l h GLU 85 Ca -0.06 0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 1a2l h GLU 85 Cb 1.32 0.06 0.00 0.00 -0.84 0.00 0.00 28.75 29.30 1a2l h GLU 85 CO 0.07 -0.19 0.00 -0.25 -1.40 0.00 0.00 179.01 177.25 1a2l n ASP 86 N -5.39 0.00 -0.01 1.42 8.00 -1.26 -2.05 116.55 117.26 1a2l n ASP 86 Ca -0.01 0.12 0.10 0.00 0.71 0.00 0.00 54.79 55.71 1a2l n ASP 86 Cb 0.31 -0.26 -0.15 0.00 -0.02 0.00 0.00 41.12 40.99 1a2l n ASP 86 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1a2l n LYS 87 N -1.26 0.60 -0.00 -1.24 5.02 -0.37 -4.65 118.16 116.26 1a2l n LYS 87 Ca 0.05 -0.17 0.02 0.00 -2.02 0.00 0.00 58.31 56.18 1a2l n LYS 87 Cb 0.07 -1.48 -0.03 0.00 -0.02 0.00 0.00 35.03 33.57 1a2l n LYS 87 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1a2l n VAL 88 N -2.15 0.01 -0.06 -0.18 0.24 -1.02 -4.79 118.33 110.39 1a2l n VAL 88 Ca -0.03 -0.10 -0.15 0.00 -2.04 0.00 0.00 64.34 62.02 1a2l n VAL 88 Cb 0.51 0.34 -0.10 0.00 -1.47 0.00 0.00 33.84 33.12 1a2l n VAL 88 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 1a2l h THR 89 N 0.00 0.00 0.56 3.34 2.02 -1.68 -2.03 112.91 115.13 1a2l h THR 89 Ca -0.01 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 1a2l h THR 89 Cb 0.24 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.64 1a2l h THR 89 CO 0.00 0.00 -0.43 0.58 0.37 0.00 0.00 175.52 176.04 1a2l h VAL 90 N -0.51 0.14 0.00 3.16 2.07 -1.87 -2.10 116.25 117.14 1a2l h VAL 90 Ca 0.05 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.57 1a2l h VAL 90 Cb 0.65 0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 30.55 1a2l h VAL 90 CO -0.51 0.00 -0.01 1.55 0.02 0.00 0.00 177.57 178.62 1a2l h PRO 91 N -0.96 0.00 -0.03 1.57 0.13 -1.86 -1.56 132.00 129.29 1a2l h PRO 91 Ca -0.06 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.81 1a2l h PRO 91 Cb 0.81 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.96 1a2l h PRO 91 CO 0.01 0.01 -0.98 -0.07 -0.23 0.00 0.00 178.00 176.74 1a2l h LEU 92 N 0.00 0.88 -0.58 1.56 3.38 -1.20 0.89 115.31 120.23 1a2l h LEU 92 Ca -0.00 -0.67 -0.06 0.00 0.09 0.00 0.00 57.88 57.24 1a2l h LEU 92 Cb 0.03 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 1a2l h LEU 92 CO 0.00 1.48 0.14 -0.26 0.09 0.00 0.00 178.44 179.88 1a2l h PHE 93 N 0.41 0.99 0.04 1.13 0.04 -0.67 -2.09 116.94 116.79 1a2l h PHE 93 Ca -0.11 -0.12 -0.00 0.00 2.80 0.00 0.00 57.97 60.54 1a2l h PHE 93 Cb 1.63 -0.28 0.00 0.00 2.20 0.00 0.00 35.95 39.50 1a2l h PHE 93 CO 0.09 0.84 -0.02 0.93 -0.60 0.00 0.00 178.31 179.56 1a2l h GLU 94 N 0.85 -0.06 -0.12 1.51 4.39 -1.34 -2.21 114.58 117.60 1a2l h GLU 94 Ca 0.18 0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.92 1a2l h GLU 94 Cb 0.36 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.02 1a2l h GLU 94 CO 0.00 0.51 0.11 0.78 -1.16 0.00 0.00 179.01 179.25 1a2l h GLY 95 N -0.67 0.00 0.00 -3.84 0.00 -0.83 0.26 103.07 97.98 1a2l h GLY 95 Ca -0.01 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.14 1a2l h GLY 95 CO 0.01 0.00 -1.07 -2.08 0.00 0.00 0.00 176.54 173.40 1a2l h VAL 96 N 0.00 0.78 0.06 4.60 2.07 -1.43 0.43 116.25 122.77 1a2l h VAL 96 Ca 0.06 -1.96 -0.37 0.00 0.82 0.00 0.00 66.70 65.25 1a2l h VAL 96 Cb 0.27 1.85 -0.04 0.00 -1.52 0.00 0.00 31.29 31.85 1a2l h VAL 96 CO -0.00 0.26 -2.13 0.00 0.02 0.00 0.00 177.57 175.72 1a2l n GLN 97 N -4.48 0.70 0.00 1.57 6.02 -0.83 -4.24 117.38 116.12 1a2l n GLN 97 Ca -0.27 0.25 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 1a2l n GLN 97 Cb 0.59 -1.63 0.00 0.00 1.02 0.00 0.00 30.24 30.22 1a2l n GLN 97 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1a2l n LYS 98 N -3.54 0.00 0.25 -1.09 5.02 0.78 -4.47 118.16 115.11 1a2l n LYS 98 Ca -0.38 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 55.99 1a2l n LYS 98 Cb 0.99 -0.20 0.62 0.00 -0.02 0.00 0.00 35.03 36.42 1a2l n LYS 98 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 1a2l h THR 99 N 0.00 0.98 -4.81 -0.18 1.35 -1.46 -3.47 112.91 105.31 1a2l h THR 99 Ca 0.00 -0.26 -0.28 0.00 -0.55 0.00 0.00 66.41 65.32 1a2l h THR 99 Cb 0.00 1.14 0.12 0.00 -1.73 0.00 0.00 68.15 67.68 1a2l h THR 99 CO 0.00 0.07 -0.57 0.00 -0.25 0.00 0.00 175.52 174.78 1a2l n GLN 100 N -4.34 -5.67 -0.01 4.72 6.02 -1.12 -4.96 117.38 112.01 1a2l n GLN 100 Ca -0.03 0.65 -0.19 0.00 -0.01 0.00 0.00 57.00 57.43 1a2l n GLN 100 Cb 0.15 -5.13 -0.14 0.00 1.02 0.00 0.00 30.24 26.14 1a2l n GLN 100 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1a2l n THR 101 N -3.93 1.73 -2.18 5.09 -2.24 0.13 -4.83 114.28 108.05 1a2l n THR 101 Ca -0.11 -0.67 -0.43 0.00 -2.27 0.00 0.00 64.05 60.56 1a2l n THR 101 Cb 0.59 -1.58 -0.02 0.00 -2.10 0.00 0.00 70.33 67.22 1a2l n THR 101 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1a2l s ILE 102 N -2.56 3.71 0.00 2.28 1.01 0.19 -4.79 121.20 121.03 1a2l s ILE 102 Ca -0.21 0.73 0.00 0.00 0.00 0.00 0.00 60.65 61.18 1a2l s ILE 102 Cb 0.07 -3.91 0.00 0.00 0.01 0.00 0.00 42.46 38.63 1a2l s ILE 102 CO 0.76 -0.55 0.14 0.54 0.00 0.00 0.00 174.94 175.84 1a2l n ARG 103 N 8.15 2.57 -3.81 2.79 1.74 -1.26 -4.66 116.66 122.17 1a2l n ARG 103 Ca 0.19 -0.14 -0.05 0.00 -0.77 0.00 0.00 57.85 57.08 1a2l n ARG 103 Cb 0.47 -0.55 -0.01 0.00 -1.02 0.00 0.00 32.46 31.35 1a2l n ARG 103 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1a2l s SER 104 N -0.41 -0.21 0.38 0.55 1.04 -1.26 -5.01 113.70 108.78 1a2l s SER 104 Ca 0.00 -0.53 0.09 0.00 0.48 0.00 0.00 55.95 55.99 1a2l s SER 104 Cb 0.00 0.62 0.84 0.00 0.10 0.00 0.00 66.02 67.58 1a2l s SER 104 CO 0.00 -1.15 1.93 0.00 0.98 0.00 0.00 173.24 175.00 1a2l h ALA 105 N 2.00 1.84 -0.93 5.32 0.00 -1.98 -0.11 119.26 125.40 1a2l h ALA 105 Ca -0.22 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.71 1a2l h ALA 105 Cb 1.24 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.83 1a2l h ALA 105 CO 0.25 0.00 0.61 0.66 0.00 0.00 0.00 179.25 180.77 1a2l h SER 106 N 0.65 1.02 -0.41 0.00 4.64 -2.00 -0.28 113.55 117.17 1a2l h SER 106 Ca 0.35 -0.01 -0.11 0.00 -0.47 0.00 0.00 61.79 61.55 1a2l h SER 106 Cb 0.50 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.34 1a2l h SER 106 CO -0.13 0.71 -0.15 0.44 -0.87 0.00 0.00 176.83 176.83 1a2l h ASP 107 N 1.20 0.89 -0.50 4.97 3.32 -1.42 -2.84 116.42 122.04 1a2l h ASP 107 Ca 0.37 -0.30 -0.06 0.00 0.02 0.00 0.00 57.03 57.06 1a2l h ASP 107 Cb -0.03 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.26 1a2l h ASP 107 CO -0.11 1.03 0.09 0.40 -1.72 0.00 0.00 179.24 178.94 1a2l h ILE 108 N 0.78 1.25 -0.90 0.35 2.04 -0.73 -2.70 117.51 117.59 1a2l h ILE 108 Ca 0.12 -0.90 0.09 0.00 1.00 0.00 0.00 64.86 65.17 1a2l h ILE 108 Cb 0.68 0.87 -0.07 0.00 -0.74 0.00 0.00 36.82 37.56 1a2l h ILE 108 CO 0.05 0.32 0.54 -0.09 0.00 0.00 0.00 178.15 178.98 1a2l h ARG 109 N 0.69 0.89 -0.60 2.37 2.43 -0.92 -1.26 114.38 117.99 1a2l h ARG 109 Ca 0.15 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.24 1a2l h ARG 109 Cb 0.37 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 29.70 1a2l h ARG 109 CO 0.01 0.59 0.24 -0.44 -1.51 0.00 0.00 179.97 178.86 1a2l h ASP 110 N 0.92 0.79 -0.25 -3.80 3.32 -1.25 -1.90 116.42 114.25 1a2l h ASP 110 Ca 0.42 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.36 1a2l h ASP 110 Cb 0.34 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 1a2l h ASP 110 CO -0.23 0.70 0.11 0.58 -1.72 0.00 0.00 179.24 178.68 1a2l h VAL 111 N 0.85 1.16 -0.87 -1.35 2.07 -1.02 -0.31 116.25 116.77 1a2l h VAL 111 Ca 0.20 -0.48 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 1a2l h VAL 111 Cb 0.16 1.01 -0.04 0.00 -1.52 0.00 0.00 31.29 30.90 1a2l h VAL 111 CO -0.02 0.16 0.50 -0.26 0.02 0.00 0.00 177.57 177.97 1a2l h PHE 112 N 0.26 1.17 -0.23 1.57 -1.00 -1.15 -1.57 116.94 115.99 1a2l h PHE 112 Ca 0.08 -0.01 -0.03 0.00 2.81 0.00 0.00 57.97 60.82 1a2l h PHE 112 Cb 0.15 -0.38 -0.01 0.00 3.61 0.00 0.00 35.95 39.33 1a2l h PHE 112 CO -0.01 0.79 0.01 0.82 -1.61 0.00 0.00 178.31 178.31 1a2l h ILE 113 N 1.21 1.25 0.00 -0.55 2.04 -1.08 -2.12 117.51 118.25 1a2l h ILE 113 Ca 0.31 -0.86 -0.02 0.00 1.00 0.00 0.00 64.86 65.30 1a2l h ILE 113 Cb -0.01 1.35 -0.00 0.00 -0.74 0.00 0.00 36.82 37.42 1a2l h ILE 113 CO -0.05 0.27 -0.07 0.78 0.00 0.00 0.00 178.15 179.07 1a2l h ASN 114 N 0.19 0.00 0.10 1.72 2.35 -0.75 -1.82 115.58 117.37 1a2l h ASN 114 Ca 0.07 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.65 1a2l h ASN 114 Cb 0.38 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.75 1a2l h ASN 114 CO 0.01 0.07 -0.62 0.00 -1.65 0.00 0.00 177.43 175.24 1a2l h ALA 115 N 1.93 0.65 0.00 -0.83 0.00 -0.98 -3.47 119.26 116.55 1a2l h ALA 115 Ca -0.00 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1a2l h ALA 115 Cb 0.18 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1a2l h ALA 115 CO 0.01 0.71 0.00 0.41 0.00 0.00 0.00 179.25 180.38 1a2l n GLY 116 N 0.37 0.38 3.73 0.00 0.00 -0.68 -5.11 105.19 103.88 1a2l n GLY 116 Ca -0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 1a2l n GLY 116 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a2l s ILE 117 N 0.00 4.61 0.56 -0.61 1.01 -0.83 -5.00 121.20 120.95 1a2l s ILE 117 Ca 0.00 1.95 -0.18 0.00 0.00 0.00 0.00 60.65 62.42 1a2l s ILE 117 Cb 0.00 -4.27 -0.05 0.00 0.01 0.00 0.00 42.46 38.15 1a2l s ILE 117 CO 0.00 0.31 1.09 -0.54 0.00 0.00 0.00 174.94 175.80 1a2l s LYS 118 N 0.13 3.34 0.13 2.79 1.02 -1.26 -3.73 119.74 122.15 1a2l s LYS 118 Ca 0.45 1.42 -0.17 0.00 0.02 0.00 0.00 55.97 57.69 1a2l s LYS 118 Cb -0.22 -2.02 -0.02 0.00 -0.52 0.00 0.00 37.83 35.05 1a2l s LYS 118 CO 0.28 -0.83 1.73 0.78 -0.92 0.00 0.00 175.35 176.39 1a2l h GLY 119 N 0.87 0.53 1.33 -3.33 0.00 -1.96 0.51 103.07 101.02 1a2l h GLY 119 Ca -0.49 -0.24 -0.07 0.00 0.00 0.00 0.00 47.33 46.53 1a2l h GLY 119 CO 0.57 0.23 0.03 1.05 0.00 0.00 0.00 176.54 178.42 1a2l h GLU 120 N 0.44 0.82 -0.41 4.80 4.11 -1.99 0.71 114.58 123.07 1a2l h GLU 120 Ca 0.12 -0.21 -0.09 0.00 0.07 0.00 0.00 59.36 59.25 1a2l h GLU 120 Cb 0.07 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1a2l h GLU 120 CO -0.02 0.81 -0.13 1.49 0.07 0.00 0.00 179.01 181.23 1a2l h GLU 121 N 0.77 0.75 0.23 1.06 4.81 -1.87 -0.81 114.58 119.51 1a2l h GLU 121 Ca 0.15 -0.25 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 1a2l h GLU 121 Cb 0.43 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.75 1a2l h GLU 121 CO 0.02 0.84 -0.11 -0.92 -0.73 0.00 0.00 179.01 178.11 1a2l h TYR 122 N 0.67 -0.28 -0.98 0.92 3.20 -0.32 -2.54 116.97 117.64 1a2l h TYR 122 Ca 0.11 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.02 1a2l h TYR 122 Cb 0.60 0.09 -0.06 0.00 1.54 0.00 0.00 36.73 38.91 1a2l h TYR 122 CO 0.03 0.09 0.64 -0.44 -1.64 0.00 0.00 178.16 176.84 1a2l h ASP 123 N -0.74 1.05 -0.22 -2.11 3.32 -0.83 0.47 116.42 117.35 1a2l h ASP 123 Ca -0.03 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 1a2l h ASP 123 Cb 0.50 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 1a2l h ASP 123 CO 0.05 0.70 0.12 0.00 -1.72 0.00 0.00 179.24 178.39 1a2l h ALA 124 N 1.42 0.28 -0.47 3.45 0.00 -1.19 -2.71 119.26 120.04 1a2l h ALA 124 Ca 0.40 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.18 1a2l h ALA 124 Cb 0.07 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1a2l h ALA 124 CO -0.14 -0.18 0.03 0.00 0.00 0.00 0.00 179.25 178.95 1a2l h ALA 125 N 1.00 0.63 -0.90 0.00 0.00 -0.95 -2.30 119.26 116.75 1a2l h ALA 125 Ca 0.08 -0.26 0.22 0.00 0.00 0.00 0.00 54.91 54.95 1a2l h ALA 125 Cb 0.08 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 17.63 1a2l h ALA 125 CO -0.01 0.41 0.61 2.35 0.00 0.00 0.00 179.25 182.61 1a2l h TRP 126 N 0.67 0.37 -0.14 0.00 2.91 0.16 -0.76 115.95 119.17 1a2l h TRP 126 Ca 0.14 0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.17 1a2l h TRP 126 Cb 0.47 -0.11 0.00 0.00 -0.51 0.00 0.00 29.16 29.01 1a2l h TRP 126 CO 0.04 0.09 0.00 0.09 -1.03 0.00 0.00 178.44 177.62 1a2l n ASN 127 N -4.44 2.64 -4.78 2.65 3.02 -1.04 -4.91 115.26 108.40 1a2l n ASN 127 Ca 0.19 -1.78 -0.31 0.00 -0.03 0.00 0.00 54.58 52.66 1a2l n ASN 127 Cb 0.79 -0.08 0.09 0.00 -0.61 0.00 0.00 39.78 39.97 1a2l n ASN 127 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1a2l s SER 128 N -1.33 4.50 0.25 6.41 1.04 -0.29 -4.95 113.70 119.33 1a2l s SER 128 Ca 0.23 1.59 0.10 0.00 0.48 0.00 0.00 55.95 58.36 1a2l s SER 128 Cb 0.15 -2.34 0.25 0.00 0.10 0.00 0.00 66.02 64.18 1a2l s SER 128 CO 0.22 -2.00 1.55 -0.26 0.98 0.00 0.00 173.24 173.73 1a2l h PHE 129 N -1.11 0.00 -0.80 5.02 -1.00 -1.91 -2.81 116.94 114.33 1a2l h PHE 129 Ca -0.46 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.29 1a2l h PHE 129 Cb 1.24 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 40.77 1a2l h PHE 129 CO 0.53 0.68 0.35 0.28 -1.61 0.00 0.00 178.31 178.54 1a2l h VAL 130 N 0.00 1.26 -0.51 -0.55 2.07 -1.93 0.13 116.25 116.72 1a2l h VAL 130 Ca -0.01 -0.77 -0.13 0.00 0.82 0.00 0.00 66.70 66.62 1a2l h VAL 130 Cb 1.22 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 1a2l h VAL 130 CO 0.09 0.32 -0.18 0.58 0.02 0.00 0.00 177.57 178.40 1a2l h VAL 131 N 1.15 1.27 -0.43 2.57 2.07 -1.79 -2.14 116.25 118.95 1a2l h VAL 131 Ca 0.27 -1.34 -0.01 0.00 0.82 0.00 0.00 66.70 66.44 1a2l h VAL 131 Cb 0.17 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 1a2l h VAL 131 CO -0.03 0.47 0.23 0.11 0.02 0.00 0.00 177.57 178.37 1a2l h LYS 132 N 0.88 0.61 -0.92 1.57 1.57 -1.10 -0.00 116.57 119.17 1a2l h LYS 132 Ca 0.12 -0.08 0.06 0.00 -1.87 0.00 0.00 60.65 58.88 1a2l h LYS 132 Cb 0.76 -0.12 -0.06 0.00 0.08 0.00 0.00 32.23 32.89 1a2l h LYS 132 CO 0.06 0.49 0.59 0.77 -0.57 0.00 0.00 179.45 180.79 1a2l h SER 133 N 0.56 0.94 -0.39 0.86 0.02 -0.63 -2.03 113.55 112.88 1a2l h SER 133 Ca 0.15 0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 61.03 1a2l h SER 133 Cb 0.07 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 1a2l h SER 133 CO -0.02 0.61 -0.07 -0.07 -1.14 0.00 0.00 176.83 176.14 1a2l h LEU 134 N 1.09 0.75 -0.56 5.07 4.07 -0.68 0.29 115.31 125.33 1a2l h LEU 134 Ca 0.39 -0.35 -0.00 0.00 0.08 0.00 0.00 57.88 58.00 1a2l h LEU 134 Cb 0.13 -0.20 -0.03 0.00 1.08 0.00 0.00 40.66 41.64 1a2l h LEU 134 CO -0.16 0.92 0.33 0.58 -1.08 0.00 0.00 178.44 179.03 1a2l h VAL 135 N 0.56 1.17 -0.11 1.22 2.07 -0.56 0.23 116.25 120.82 1a2l h VAL 135 Ca 0.10 -0.38 -0.17 0.00 0.82 0.00 0.00 66.70 67.07 1a2l h VAL 135 Cb 0.58 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 1a2l h VAL 135 CO 0.03 0.17 -0.65 0.00 0.02 0.00 0.00 177.57 177.14 1a2l h ALA 136 N 1.17 0.67 -0.56 1.67 0.00 -1.31 -2.06 119.26 118.84 1a2l h ALA 136 Ca 0.20 -0.57 -0.03 0.00 0.00 0.00 0.00 54.91 54.52 1a2l h ALA 136 Cb -0.01 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1a2l h ALA 136 CO -0.04 0.73 0.24 0.37 0.00 0.00 0.00 179.25 180.56 1a2l h GLN 137 N 0.31 0.82 -0.34 0.00 4.15 0.20 0.47 115.11 120.72 1a2l h GLN 137 Ca -0.02 -0.14 -0.07 0.00 0.77 0.00 0.00 58.65 59.20 1a2l h GLN 137 Cb 1.21 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 28.75 1a2l h GLN 137 CO 0.11 0.69 -0.06 1.96 -1.93 0.00 0.00 178.83 179.61 1a2l h GLN 138 N 0.76 0.64 -0.35 1.69 4.20 -0.52 0.02 115.11 121.55 1a2l h GLN 138 Ca 0.19 -0.24 -0.09 0.00 0.06 0.00 0.00 58.65 58.57 1a2l h GLN 138 Cb 0.17 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.89 1a2l h GLN 138 CO -0.02 0.80 -0.17 0.93 -0.67 0.00 0.00 178.83 179.70 1a2l h GLU 139 N 0.43 0.65 -0.18 1.46 5.08 -1.10 -1.99 114.58 118.93 1a2l h GLU 139 Ca 0.09 -0.23 -0.03 0.00 -1.00 0.00 0.00 59.36 58.19 1a2l h GLU 139 Cb 0.55 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 1a2l h GLU 139 CO 0.03 0.79 -0.01 -0.22 -1.00 0.00 0.00 179.01 178.60 1a2l h LYS 140 N 0.58 0.33 -0.51 2.33 3.11 0.09 -3.00 116.57 119.51 1a2l h LYS 140 Ca 0.09 -0.11 0.00 0.00 -2.81 0.00 0.00 60.65 57.83 1a2l h LYS 140 Cb 0.62 -0.03 -0.03 0.00 -1.00 0.00 0.00 32.23 31.80 1a2l h LYS 140 CO 0.04 0.55 0.33 0.00 -2.81 0.00 0.00 179.45 177.56 1a2l h ALA 141 N 0.77 0.65 -0.14 5.00 0.00 -0.79 -1.46 119.26 123.28 1a2l h ALA 141 Ca 0.05 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.94 1a2l h ALA 141 Cb 0.41 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1a2l h ALA 141 CO 0.01 0.10 0.01 0.00 0.00 0.00 0.00 179.25 179.37 1a2l h ALA 142 N 1.18 0.13 -0.05 0.00 0.00 -1.36 -2.39 119.26 116.77 1a2l h ALA 142 Ca 0.19 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.04 1a2l h ALA 142 Cb -0.06 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1a2l h ALA 142 CO -0.04 -0.44 -0.37 0.00 0.00 0.00 0.00 179.25 178.40 1a2l h ALA 143 N 1.12 1.30 -0.51 0.00 0.00 -1.43 -2.39 119.26 117.34 1a2l h ALA 143 Ca 0.07 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1a2l h ALA 143 Cb 0.07 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1a2l h ALA 143 CO -0.10 0.50 0.28 -0.44 0.00 0.00 0.00 179.25 179.49 1a2l h ASP 144 N 0.08 0.62 -0.56 0.00 5.19 -0.74 -1.57 116.42 119.44 1a2l h ASP 144 Ca 0.01 -0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.38 1a2l h ASP 144 Cb 0.69 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 40.05 1a2l h ASP 144 CO 0.05 0.50 0.00 1.33 -3.12 0.00 0.00 179.24 178.01 1a2l n VAL 145 N -4.41 0.93 -3.91 -1.35 0.24 -1.12 -4.87 118.33 103.85 1a2l n VAL 145 Ca 0.04 -0.81 -0.28 0.00 -2.04 0.00 0.00 64.34 61.26 1a2l n VAL 145 Cb 0.10 0.30 0.01 0.00 -1.47 0.00 0.00 33.84 32.78 1a2l n VAL 145 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1a2l n GLN 146 N 1.10 -4.72 -1.94 7.34 0.00 -0.59 -4.88 117.38 113.69 1a2l n GLN 146 Ca 0.19 0.54 -0.42 0.00 0.00 0.00 0.00 57.00 57.32 1a2l n GLN 146 Cb 0.54 -5.22 -0.03 0.00 0.00 0.00 0.00 30.24 25.53 1a2l n GLN 146 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 1a2l s LEU 147 N -7.09 4.37 -0.22 2.61 2.96 -0.91 -4.93 118.68 115.47 1a2l s LEU 147 Ca 0.42 2.60 -0.00 0.00 -0.22 0.00 0.00 54.13 56.92 1a2l s LEU 147 Cb -0.21 -3.59 -0.13 0.00 0.50 0.00 0.00 46.19 42.75 1a2l s LEU 147 CO 0.85 -0.82 -0.21 0.54 -1.32 0.00 0.00 176.35 175.39 1a2l n ARG 148 N 4.06 0.53 -3.69 1.98 5.12 -1.26 -4.91 116.66 118.48 1a2l n ARG 148 Ca 0.14 0.14 -0.10 0.00 -1.93 0.00 0.00 57.85 56.09 1a2l n ARG 148 Cb 0.39 -1.41 -0.05 0.00 -1.16 0.00 0.00 32.46 30.22 1a2l n ARG 148 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1a2l s GLY 149 N -5.98 -0.18 0.25 -0.13 0.00 -1.26 -5.16 107.32 94.85 1a2l s GLY 149 Ca -0.30 -0.14 0.09 0.00 0.00 0.00 0.00 44.72 44.37 1a2l s GLY 149 CO 0.48 -0.38 -0.02 -1.34 0.00 0.00 0.00 173.10 171.84 1a2l s VAL 150 N -3.62 3.41 0.97 1.40 -7.23 -1.26 -4.53 120.40 109.53 1a2l s VAL 150 Ca 0.02 -1.85 -0.14 0.00 -1.81 0.00 0.00 61.98 58.20 1a2l s VAL 150 Cb 0.02 -2.80 0.17 0.00 0.56 0.00 0.00 36.38 34.34 1a2l s VAL 150 CO -0.10 -0.32 1.16 -2.16 -0.31 0.00 0.00 175.10 173.37 1a2l s PRO 151 N -3.50 0.68 -0.29 4.82 0.04 -1.26 -4.81 135.00 130.67 1a2l s PRO 151 Ca 0.30 0.13 -0.25 0.00 0.04 0.00 0.00 61.00 61.21 1a2l s PRO 151 Cb -0.07 -1.80 0.17 0.00 0.04 0.00 0.00 34.50 32.84 1a2l s PRO 151 CO 0.19 -2.48 1.33 0.00 0.04 0.00 0.00 177.00 176.09 1a2l s ALA 152 N -3.33 -2.15 0.05 8.56 0.00 -1.05 -4.99 121.76 118.85 1a2l s ALA 152 Ca 0.67 1.73 0.07 0.00 0.00 0.00 0.00 51.96 54.43 1a2l s ALA 152 Cb -0.12 -1.66 -0.03 0.00 0.00 0.00 0.00 23.12 21.31 1a2l s ALA 152 CO 0.54 -0.14 -0.20 1.41 0.00 0.00 0.00 175.76 177.36 1a2l s MET 153 N -0.02 1.29 0.02 0.00 1.75 -1.26 -0.50 119.30 120.59 1a2l s MET 153 Ca 0.06 -0.96 0.05 0.00 -1.25 0.00 0.00 55.69 53.60 1a2l s MET 153 Cb -0.05 -1.42 -0.02 0.00 2.84 0.00 0.00 34.83 36.19 1a2l s MET 153 CO -0.13 0.36 -0.15 -0.06 -0.65 0.00 0.00 175.02 174.39 1a2l s PHE 154 N -0.87 1.29 -0.13 4.11 0.40 0.25 -1.83 117.98 121.21 1a2l s PHE 154 Ca 0.07 -0.32 0.01 0.00 -0.60 0.00 0.00 56.93 56.09 1a2l s PHE 154 Cb -0.09 -0.78 -0.01 0.00 0.51 0.00 0.00 43.02 42.65 1a2l s PHE 154 CO 0.02 0.02 -0.18 0.08 0.70 0.00 0.00 175.22 175.87 1a2l s VAL 155 N -0.69 2.59 -1.21 -0.44 1.01 0.96 -1.20 120.40 121.42 1a2l s VAL 155 Ca 0.03 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.19 1a2l s VAL 155 Cb -0.07 -2.06 0.00 0.00 0.00 0.00 0.00 36.38 34.25 1a2l s VAL 155 CO 0.01 0.54 0.00 0.59 0.00 0.00 0.00 175.10 176.23 1a2l n ASN 156 N 3.67 -3.42 -3.67 3.32 3.02 0.22 -1.94 115.26 116.46 1a2l n ASN 156 Ca -0.19 0.27 -0.27 0.00 -0.03 0.00 0.00 54.58 54.36 1a2l n ASN 156 Cb 0.53 -3.12 0.04 0.00 -0.61 0.00 0.00 39.78 36.61 1a2l n ASN 156 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1a2l n GLY 157 N -0.41 -0.52 0.00 7.41 0.00 -1.25 -4.75 105.19 105.68 1a2l n GLY 157 Ca -0.13 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1a2l n GLY 157 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1a2l n LYS 158 N -4.62 0.00 -4.61 1.61 0.00 -0.91 -0.12 118.16 109.50 1a2l n LYS 158 Ca 0.01 0.00 -0.33 0.00 -0.00 0.00 0.00 58.31 57.99 1a2l n LYS 158 Cb 0.55 -0.27 -0.13 0.00 -0.00 0.00 0.00 35.03 35.18 1a2l n LYS 158 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 1a2l s TYR 159 N -1.00 2.91 -0.11 5.58 2.02 -0.82 -1.59 117.35 124.34 1a2l s TYR 159 Ca 0.00 -0.30 -0.00 0.00 -0.37 0.00 0.00 57.07 56.40 1a2l s TYR 159 Cb 0.00 -1.83 -0.02 0.00 -0.40 0.00 0.00 41.96 39.71 1a2l s TYR 159 CO 0.00 0.03 -0.10 -1.14 -1.57 0.00 0.00 175.55 172.76 1a2l s GLN 160 N -0.04 3.19 0.24 -0.62 0.74 -0.42 -0.03 119.66 122.72 1a2l s GLN 160 Ca -0.01 -0.63 -0.30 0.00 0.05 0.00 0.00 55.36 54.47 1a2l s GLN 160 Cb -0.14 -2.64 -0.09 0.00 1.10 0.00 0.00 33.01 31.24 1a2l s GLN 160 CO 0.03 0.36 1.31 -0.51 -0.55 0.00 0.00 175.29 175.94 1a2l s LEU 161 N -0.02 4.42 -0.43 3.68 2.01 -0.76 -0.81 118.68 126.77 1a2l s LEU 161 Ca -0.02 2.49 0.02 0.00 0.01 0.00 0.00 54.13 56.63 1a2l s LEU 161 Cb -0.14 -3.62 0.12 0.00 0.01 0.00 0.00 46.19 42.56 1a2l s LEU 161 CO 0.04 -0.52 0.18 0.21 1.01 0.00 0.00 176.35 177.26 1a2l s ASN 162 N 0.08 4.79 0.03 2.29 2.47 -0.62 -4.78 114.94 119.20 1a2l s ASN 162 Ca 0.55 -2.44 -0.28 0.00 0.42 0.00 0.00 52.86 51.11 1a2l s ASN 162 Cb -0.38 -1.69 -0.17 0.00 -1.45 0.00 0.00 41.25 37.56 1a2l s ASN 162 CO 0.42 -0.37 1.30 1.55 -3.72 0.00 0.00 177.10 176.28 1a2l h PRO 163 N 7.33 -0.70 0.00 0.43 0.13 -1.89 -3.18 132.00 134.12 1a2l h PRO 163 Ca -0.06 0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1a2l h PRO 163 Cb 0.98 0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1a2l h PRO 163 CO 0.62 -0.40 0.00 0.00 -0.23 0.00 0.00 178.00 177.99 1a2l n GLN 164 N -5.32 0.12 -0.22 0.86 0.00 -1.26 -0.57 117.38 110.98 1a2l n GLN 164 Ca -0.11 0.53 0.05 0.00 0.00 0.00 0.00 57.00 57.46 1a2l n GLN 164 Cb 0.33 -1.82 0.16 0.00 0.00 0.00 0.00 30.24 28.90 1a2l n GLN 164 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1a2l n GLY 165 N -0.88 0.92 3.47 2.61 0.00 -1.20 -4.85 105.19 105.25 1a2l n GLY 165 Ca 0.00 -0.38 -0.23 0.00 0.00 0.00 0.00 46.02 45.41 1a2l n GLY 165 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1a2l s MET 166 N -1.60 1.66 0.13 1.61 -1.94 0.26 -3.90 119.30 115.52 1a2l s MET 166 Ca 0.23 -1.82 -0.32 0.00 -1.71 0.00 0.00 55.69 52.07 1a2l s MET 166 Cb 0.13 -1.51 -0.12 0.00 2.01 0.00 0.00 34.83 35.35 1a2l s MET 166 CO 0.14 0.16 1.76 -0.40 -0.01 0.00 0.00 175.02 176.67 1a2l n ASP 167 N -0.65 3.76 -0.89 3.03 5.75 -1.26 -4.91 116.55 121.38 1a2l n ASP 167 Ca -0.05 1.02 0.05 0.00 -0.01 0.00 0.00 54.79 55.80 1a2l n ASP 167 Cb 0.62 -1.51 0.11 0.00 -1.03 0.00 0.00 41.12 39.31 1a2l n ASP 167 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1a2l n THR 168 N 4.31 1.08 0.00 2.12 -2.24 -1.26 -4.06 114.28 114.23 1a2l n THR 168 Ca 0.18 -1.93 0.00 0.00 -2.27 0.00 0.00 64.05 60.03 1a2l n THR 168 Cb 0.34 0.32 0.00 0.00 -2.10 0.00 0.00 70.33 68.89 1a2l n THR 168 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1a2l n SER 169 N -0.40 0.00 -4.65 3.42 7.64 -1.26 -4.74 113.62 113.63 1a2l n SER 169 Ca 0.12 0.41 -0.41 0.00 1.01 0.00 0.00 58.87 59.99 1a2l n SER 169 Cb 0.87 -0.33 -0.05 0.00 -1.01 0.00 0.00 64.21 63.68 1a2l n SER 169 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1a2l s ASN 170 N -2.28 6.75 0.36 6.43 3.84 -1.26 -4.95 114.94 123.84 1a2l s ASN 170 Ca 0.00 0.93 0.06 0.00 0.21 0.00 0.00 52.86 54.06 1a2l s ASN 170 Cb 0.00 -2.39 0.75 0.00 -0.55 0.00 0.00 41.25 39.06 1a2l s ASN 170 CO 0.00 -0.38 1.96 -0.03 -2.79 0.00 0.00 177.10 175.86 1a2l h MET 171 N 7.59 0.73 0.00 0.43 1.85 -1.95 -1.59 114.93 121.98 1a2l h MET 171 Ca -0.28 -0.04 0.00 0.00 -0.61 0.00 0.00 59.70 58.77 1a2l h MET 171 Cb 1.12 -0.16 0.00 0.00 0.43 0.00 0.00 31.60 32.99 1a2l h MET 171 CO 0.81 0.48 0.00 -0.44 -0.40 0.00 0.00 176.91 177.36 1a2l h ASP 172 N 0.75 0.00 0.09 1.39 5.19 -2.00 -3.15 116.42 118.69 1a2l h ASP 172 Ca 0.31 0.00 -0.35 0.00 -0.62 0.00 0.00 57.03 56.37 1a2l h ASP 172 Cb 0.26 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.74 1a2l h ASP 172 CO -0.10 0.00 -1.97 1.33 -3.12 0.00 0.00 179.24 175.38 1a2l n VAL 173 N -2.54 1.70 -0.25 -1.35 0.24 -0.62 -4.01 118.33 111.50 1a2l n VAL 173 Ca 0.01 -0.54 0.03 0.00 -2.04 0.00 0.00 64.34 61.80 1a2l n VAL 173 Cb 0.25 -1.75 0.16 0.00 -1.47 0.00 0.00 33.84 31.03 1a2l n VAL 173 CO 0.00 0.00 0.00 0.15 -2.14 0.00 0.00 176.83 174.84 1a2l h PHE 174 N -0.13 0.56 -0.28 6.34 3.57 -1.46 -0.31 116.94 125.23 1a2l h PHE 174 Ca -0.44 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.12 1a2l h PHE 174 Cb 1.90 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 40.46 1a2l h PHE 174 CO 0.07 0.14 0.08 0.28 -2.23 0.00 0.00 178.31 176.65 1a2l h VAL 175 N 0.51 0.91 -0.57 1.41 2.07 -1.74 -1.10 116.25 117.74 1a2l h VAL 175 Ca 0.38 -0.07 -0.08 0.00 0.82 0.00 0.00 66.70 67.75 1a2l h VAL 175 Cb 0.50 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 1a2l h VAL 175 CO -0.34 0.04 0.03 1.56 0.02 0.00 0.00 177.57 178.88 1a2l h GLN 176 N 0.20 0.99 -0.64 1.57 1.08 -1.47 -2.57 115.11 114.27 1a2l h GLN 176 Ca 0.12 -0.30 -0.04 0.00 -1.45 0.00 0.00 58.65 56.98 1a2l h GLN 176 Cb 0.11 -0.10 -0.03 0.00 -0.05 0.00 0.00 27.48 27.41 1a2l h GLN 176 CO -0.14 0.97 0.23 1.96 -0.95 0.00 0.00 178.83 180.90 1a2l h GLN 177 N 0.88 0.96 0.25 1.46 7.50 -0.81 -1.56 115.11 123.80 1a2l h GLN 177 Ca 0.17 -0.17 -0.01 0.00 0.50 0.00 0.00 58.65 59.13 1a2l h GLN 177 Cb 0.50 -0.16 0.00 0.00 0.05 0.00 0.00 27.48 27.88 1a2l h GLN 177 CO 0.02 0.81 -0.12 -0.92 -1.50 0.00 0.00 178.83 177.12 1a2l h TYR 178 N 0.94 -0.32 -0.74 2.96 5.03 -1.04 -1.33 116.97 122.47 1a2l h TYR 178 Ca 0.21 -0.01 0.07 0.00 2.58 0.00 0.00 58.73 61.59 1a2l h TYR 178 Cb 0.23 0.10 -0.05 0.00 1.55 0.00 0.00 36.73 38.57 1a2l h TYR 178 CO 0.02 -0.06 0.48 0.00 -1.32 0.00 0.00 178.16 177.28 1a2l h ALA 179 N 0.16 1.71 -0.38 1.82 0.00 -1.33 -1.55 119.26 119.68 1a2l h ALA 179 Ca -0.03 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.69 1a2l h ALA 179 Cb 0.40 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1a2l h ALA 179 CO 0.06 0.17 -0.39 -0.44 0.00 0.00 0.00 179.25 178.64 1a2l h ASP 180 N 0.75 1.01 -0.59 0.00 3.32 -1.08 0.99 116.42 120.83 1a2l h ASP 180 Ca 0.32 -0.47 -0.02 0.00 0.02 0.00 0.00 57.03 56.88 1a2l h ASP 180 Cb 0.29 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.53 1a2l h ASP 180 CO -0.11 1.27 0.29 0.74 -1.72 0.00 0.00 179.24 179.71 1a2l h THR 181 N 0.76 1.21 -0.37 0.35 2.02 -0.50 0.31 112.91 116.69 1a2l h THR 181 Ca 0.06 -0.57 -0.02 0.00 0.77 0.00 0.00 66.41 66.65 1a2l h THR 181 Cb 0.99 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 67.89 1a2l h THR 181 CO 0.10 0.23 0.16 0.58 0.37 0.00 0.00 175.52 176.96 1a2l h VAL 182 N 0.80 1.18 -0.30 3.16 2.07 -1.20 0.19 116.25 122.15 1a2l h VAL 182 Ca 0.20 -0.54 0.02 0.00 0.82 0.00 0.00 66.70 67.20 1a2l h VAL 182 Cb 0.11 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 1a2l h VAL 182 CO -0.03 0.20 0.20 0.11 0.02 0.00 0.00 177.57 178.07 1a2l h LYS 183 N 0.46 0.33 0.15 1.57 1.57 -0.05 0.82 116.57 121.42 1a2l h LYS 183 Ca 0.13 -0.02 -0.29 0.00 -1.87 0.00 0.00 60.65 58.59 1a2l h LYS 183 Cb 0.16 -0.08 0.03 0.00 0.08 0.00 0.00 32.23 32.42 1a2l h LYS 183 CO -0.01 0.22 -1.23 0.10 -0.57 0.00 0.00 179.45 177.96 1a2l h TYR 184 N 0.34 0.95 0.00 -1.35 -0.00 0.39 -3.14 116.97 114.15 1a2l h TYR 184 Ca 0.12 -0.62 -0.09 0.00 -0.00 0.00 0.00 58.73 58.14 1a2l h TYR 184 Cb 0.05 -0.06 -0.01 0.00 -0.00 0.00 0.00 36.73 36.71 1a2l h TYR 184 CO -0.00 1.47 -0.42 -0.07 -0.00 0.00 0.00 178.16 179.14 1a2l h LEU 185 N 0.16 0.00 -0.48 0.10 3.38 -0.13 -3.02 115.31 115.32 1a2l h LEU 185 Ca -0.20 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.60 1a2l h LEU 185 Cb 1.93 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.67 1a2l h LEU 185 CO 0.23 0.42 -0.72 0.28 0.09 0.00 0.00 178.44 178.75 1a2l h SER 186 N 0.00 0.33 0.17 -0.43 0.02 -0.95 -3.03 113.55 109.66 1a2l h SER 186 Ca -0.00 -0.22 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 1a2l h SER 186 Cb 1.01 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.46 1a2l h SER 186 CO 0.05 0.94 0.00 -0.62 -1.14 0.00 0.00 176.83 176.06 1a2l n GLU 187 N -3.80 0.48 0.00 3.45 1.02 -1.14 -5.06 120.64 115.59 1a2l n GLU 187 Ca -0.03 0.05 0.15 0.00 -0.02 0.00 0.00 57.16 57.30 1a2l n GLU 187 Cb 0.70 -1.50 0.71 0.00 -0.02 0.00 0.00 31.44 31.33 1a2l n GLU 187 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94