#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lyx s LYS 4 N 0.00 4.28 0.76 2.89 1.02 -1.26 -5.00 119.74 122.43 1lyx s LYS 4 Ca 0.00 1.84 -0.14 0.00 0.02 0.00 0.00 55.97 57.69 1lyx s LYS 4 Cb 0.00 -3.64 0.05 0.00 -0.52 0.00 0.00 37.83 33.73 1lyx s LYS 4 CO 0.00 -0.58 1.19 0.71 -0.92 0.00 0.00 175.35 175.75 1lyx s TYR 5 N 2.68 2.03 -0.04 3.18 4.12 -1.26 -4.84 117.35 123.22 1lyx s TYR 5 Ca 0.61 1.62 -0.00 0.00 0.02 0.00 0.00 57.07 59.32 1lyx s TYR 5 Cb -0.28 -3.43 0.03 0.00 -1.52 0.00 0.00 41.96 36.76 1lyx s TYR 5 CO 0.23 -2.57 0.00 0.12 0.02 0.00 0.00 175.55 173.35 1lyx s PHE 6 N -2.13 0.42 -0.14 2.71 5.36 -0.59 -1.81 117.98 121.80 1lyx s PHE 6 Ca 0.72 -0.04 0.00 0.00 -0.96 0.00 0.00 56.93 56.66 1lyx s PHE 6 Cb -0.27 -0.53 0.03 0.00 -0.34 0.00 0.00 43.02 41.90 1lyx s PHE 6 CO 0.47 -0.18 -0.11 0.08 -1.46 0.00 0.00 175.22 174.02 1lyx s VAL 7 N 1.31 1.37 -0.11 3.12 1.01 -0.03 -1.71 120.40 125.34 1lyx s VAL 7 Ca -0.06 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.39 1lyx s VAL 7 Cb -0.13 -1.33 -0.02 0.00 0.00 0.00 0.00 36.38 34.90 1lyx s VAL 7 CO -0.02 0.40 -0.13 0.00 0.00 0.00 0.00 175.10 175.35 1lyx s ALA 8 N 1.57 2.66 -0.38 5.51 0.00 0.01 -1.52 121.76 129.62 1lyx s ALA 8 Ca 0.04 -0.90 -0.13 0.00 0.00 0.00 0.00 51.96 50.97 1lyx s ALA 8 Cb -0.13 -1.19 0.01 0.00 0.00 0.00 0.00 23.12 21.81 1lyx s ALA 8 CO -0.10 0.31 0.26 0.00 0.00 0.00 0.00 175.76 176.23 1lyx s ALA 9 N 0.12 3.44 -0.57 0.00 0.00 0.95 -0.27 121.76 125.42 1lyx s ALA 9 Ca -0.06 -1.61 -0.11 0.00 0.00 0.00 0.00 51.96 50.18 1lyx s ALA 9 Cb -0.15 -2.74 0.14 0.00 0.00 0.00 0.00 23.12 20.37 1lyx s ALA 9 CO 0.04 -1.28 0.47 1.21 0.00 0.00 0.00 175.76 176.20 1lyx s ASN 10 N 1.66 5.96 0.00 0.00 2.47 -0.07 -0.44 114.94 124.52 1lyx s ASN 10 Ca 0.05 -2.12 0.16 0.00 0.42 0.00 0.00 52.86 51.36 1lyx s ASN 10 Cb -0.18 -2.08 0.74 0.00 -1.45 0.00 0.00 41.25 38.28 1lyx s ASN 10 CO 0.09 -0.68 1.46 0.79 -3.72 0.00 0.00 177.10 175.05 1lyx n TRP 11 N 4.67 0.00 -2.34 0.43 8.01 -1.05 -4.44 117.44 122.73 1lyx n TRP 11 Ca -0.04 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.15 1lyx n TRP 11 Cb 0.41 -0.36 0.00 0.00 -2.01 0.00 0.00 31.31 29.35 1lyx n TRP 11 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 1lyx n LYS 12 N -1.36 0.00 -2.61 -0.99 5.02 -1.26 -2.94 118.16 114.02 1lyx n LYS 12 Ca 0.06 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.93 1lyx n LYS 12 Cb 0.14 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.16 1lyx n LYS 12 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1lyx s ASN 14 N -0.71 0.30 0.00 0.00 -0.87 -1.15 -5.14 114.94 107.36 1lyx s ASN 14 Ca 0.38 -0.74 0.00 0.00 -1.57 0.00 0.00 52.86 50.93 1lyx s ASN 14 Cb 0.11 0.23 0.00 0.00 -0.02 0.00 0.00 41.25 41.56 1lyx s ASN 14 CO 0.01 -0.57 0.00 0.61 -2.57 0.00 0.00 177.10 174.58 1lyx n GLY 15 N 0.42 3.14 3.17 0.66 0.00 -1.26 -4.75 105.19 106.57 1lyx n GLY 15 Ca -0.17 -1.86 -0.10 0.00 0.00 0.00 0.00 46.02 43.89 1lyx n GLY 15 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1lyx s THR 16 N -2.51 0.44 0.31 2.61 -4.23 -1.26 -5.02 115.64 105.98 1lyx s THR 16 Ca 0.00 -1.91 0.05 0.00 -1.18 0.00 0.00 61.69 58.64 1lyx s THR 16 Cb 0.00 -1.86 0.30 0.00 1.34 0.00 0.00 72.50 72.28 1lyx s THR 16 CO 0.00 -0.69 1.84 -0.07 -0.54 0.00 0.00 174.62 175.16 1lyx h LEU 17 N 2.91 0.81 -0.06 4.79 3.38 -2.00 -1.33 115.31 123.81 1lyx h LEU 17 Ca -0.35 0.05 -0.13 0.00 0.09 0.00 0.00 57.88 57.54 1lyx h LEU 17 Cb 1.18 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 41.83 1lyx h LEU 17 CO 0.63 0.41 -0.46 -0.33 0.09 0.00 0.00 178.44 178.78 1lyx h GLU 18 N 0.86 0.42 -0.21 1.13 4.39 -2.00 -2.70 114.58 116.47 1lyx h GLU 18 Ca 0.49 -0.37 -0.03 0.00 0.34 0.00 0.00 59.36 59.79 1lyx h GLU 18 Cb 0.62 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.34 1lyx h GLU 18 CO -0.25 1.02 -0.01 0.66 -1.16 0.00 0.00 179.01 179.27 1lyx h SER 19 N -0.05 0.28 -0.10 1.42 4.64 -1.88 -1.96 113.55 115.90 1lyx h SER 19 Ca -0.04 -0.04 -0.16 0.00 -0.47 0.00 0.00 61.79 61.09 1lyx h SER 19 Cb 1.13 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 63.14 1lyx h SER 19 CO 0.09 0.34 -0.48 0.40 -0.87 0.00 0.00 176.83 176.32 1lyx h ILE 20 N 0.31 1.30 -0.54 0.95 2.04 -1.27 -1.59 117.51 118.71 1lyx h ILE 20 Ca 0.07 -1.69 -0.03 0.00 1.00 0.00 0.00 64.86 64.21 1lyx h ILE 20 Cb 0.22 1.63 -0.02 0.00 -0.74 0.00 0.00 36.82 37.90 1lyx h ILE 20 CO 0.01 0.54 0.20 0.50 0.00 0.00 0.00 178.15 179.39 1lyx h LYS 21 N 0.53 0.82 -0.46 2.37 3.64 -1.04 0.74 116.57 123.17 1lyx h LYS 21 Ca 0.03 -0.16 -0.07 0.00 -1.27 0.00 0.00 60.65 59.18 1lyx h LYS 21 Cb 1.03 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.71 1lyx h LYS 21 CO 0.10 0.72 0.03 0.77 -2.27 0.00 0.00 179.45 178.80 1lyx h SER 22 N 0.74 0.77 -0.07 4.20 0.02 -1.29 -2.48 113.55 115.43 1lyx h SER 22 Ca 0.18 -0.29 -0.02 0.00 -0.84 0.00 0.00 61.79 60.82 1lyx h SER 22 Cb 0.22 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.55 1lyx h SER 22 CO -0.01 0.87 -0.02 0.25 -1.14 0.00 0.00 176.83 176.78 1lyx h LEU 23 N 0.64 0.13 -1.76 5.07 5.85 -1.07 -3.01 115.31 121.16 1lyx h LEU 23 Ca 0.13 -0.38 0.02 0.00 0.84 0.00 0.00 57.88 58.49 1lyx h LEU 23 Cb 0.46 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 1lyx h LEU 23 CO 0.02 0.49 0.20 0.71 -0.34 0.00 0.00 178.44 179.51 1lyx h THR 24 N -0.22 1.03 -0.22 1.05 1.35 -0.88 -1.62 112.91 113.40 1lyx h THR 24 Ca 0.02 -0.11 0.01 0.00 -0.55 0.00 0.00 66.41 65.78 1lyx h THR 24 Cb 0.43 0.68 -0.02 0.00 -1.73 0.00 0.00 68.15 67.52 1lyx h THR 24 CO 0.01 0.06 0.11 -1.13 -0.25 0.00 0.00 175.52 174.31 1lyx h ASN 25 N 0.32 0.16 -0.52 5.36 -0.73 -1.32 1.00 115.58 119.84 1lyx h ASN 25 Ca 0.12 0.01 -0.06 0.00 1.87 0.00 0.00 56.30 58.24 1lyx h ASN 25 Cb 0.08 -0.02 -0.02 0.00 0.27 0.00 0.00 38.32 38.62 1lyx h ASN 25 CO -0.02 0.13 0.10 0.28 -0.37 0.00 0.00 177.43 177.54 1lyx h SER 26 N 0.23 0.82 -0.62 1.15 0.02 -1.20 -2.91 113.55 111.05 1lyx h SER 26 Ca 0.09 -0.25 0.01 0.00 -0.84 0.00 0.00 61.79 60.80 1lyx h SER 26 Cb 0.02 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.31 1lyx h SER 26 CO -0.06 0.86 0.40 -0.26 -1.14 0.00 0.00 176.83 176.64 1lyx h PHE 27 N 0.74 0.76 0.00 3.45 -1.00 -0.99 -2.11 116.94 117.79 1lyx h PHE 27 Ca 0.16 0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.95 1lyx h PHE 27 Cb 0.38 -0.26 -0.00 0.00 3.61 0.00 0.00 35.95 39.69 1lyx h PHE 27 CO 0.03 0.47 -0.05 -0.91 -1.61 0.00 0.00 178.31 176.24 1lyx h ASN 28 N 0.82 0.00 1.13 2.17 2.35 -0.62 -2.37 115.58 119.06 1lyx h ASN 28 Ca 0.23 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.98 1lyx h ASN 28 Cb -0.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.30 1lyx h ASN 28 CO -0.06 0.05 0.00 0.78 -1.65 0.00 0.00 177.43 176.55 1lyx h ASN 29 N 0.00 0.00 -2.95 5.81 2.35 -1.20 -3.43 115.58 116.16 1lyx h ASN 29 Ca -0.00 0.00 -0.56 0.00 -0.55 0.00 0.00 56.30 55.19 1lyx h ASN 29 Cb 0.13 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.47 1lyx h ASN 29 CO 0.01 0.00 0.85 -0.22 -1.65 0.00 0.00 177.43 176.42 1lyx s LEU 30 N -6.10 4.22 -0.41 1.61 2.96 -0.89 -4.98 118.68 115.08 1lyx s LEU 30 Ca 0.02 1.76 -0.22 0.00 -0.22 0.00 0.00 54.13 55.47 1lyx s LEU 30 Cb 0.08 -3.54 0.02 0.00 0.50 0.00 0.00 46.19 43.25 1lyx s LEU 30 CO 0.55 -0.71 0.72 -0.62 -1.32 0.00 0.00 176.35 174.97 1lyx s ASP 31 N 1.87 6.43 0.04 3.68 3.68 -1.26 -5.02 116.67 126.09 1lyx s ASP 31 Ca 0.56 -0.00 -0.08 0.00 2.13 0.00 0.00 52.55 55.15 1lyx s ASP 31 Cb -0.23 -2.36 -0.00 0.00 -1.45 0.00 0.00 42.92 38.88 1lyx s ASP 31 CO 0.18 -0.78 0.17 0.72 0.13 0.00 0.00 175.17 175.58 1lyx s PHE 32 N 3.03 0.10 -0.43 -5.34 -0.12 -1.26 -5.13 117.98 108.83 1lyx s PHE 32 Ca 0.28 -0.36 -0.17 0.00 -0.05 0.00 0.00 56.93 56.62 1lyx s PHE 32 Cb -0.13 -0.06 0.03 0.00 -0.63 0.00 0.00 43.02 42.23 1lyx s PHE 32 CO 0.19 -0.42 0.46 0.34 -0.05 0.00 0.00 175.22 175.74 1lyx s ASP 33 N -2.17 6.20 0.11 1.98 -1.08 -1.26 -4.95 116.67 115.50 1lyx s ASP 33 Ca -0.04 -0.73 0.12 0.00 -0.52 0.00 0.00 52.55 51.38 1lyx s ASP 33 Cb -0.00 -2.23 0.55 0.00 -1.46 0.00 0.00 42.92 39.78 1lyx s ASP 33 CO -0.05 -0.62 1.36 -0.81 0.52 0.00 0.00 175.17 175.57 1lyx n PRO 34 N 5.65 0.06 0.00 4.34 -0.04 -1.26 -1.15 135.00 142.60 1lyx n PRO 34 Ca -0.07 0.47 0.14 0.00 -0.04 0.00 0.00 63.50 63.99 1lyx n PRO 34 Cb 0.47 -1.66 0.45 0.00 -0.04 0.00 0.00 33.50 32.72 1lyx n PRO 34 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1lyx n SER 35 N -1.78 1.38 -0.00 3.54 3.41 -1.26 -3.87 113.62 115.04 1lyx n SER 35 Ca 0.01 -1.29 0.01 0.00 -0.26 0.00 0.00 58.87 57.34 1lyx n SER 35 Cb 0.08 0.06 -0.01 0.00 -0.26 0.00 0.00 64.21 64.07 1lyx n SER 35 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1lyx n LYS 36 N -0.10 1.68 -3.73 4.33 4.76 -0.30 -5.04 118.16 119.77 1lyx n LYS 36 Ca 0.16 -0.01 -0.12 0.00 -2.87 0.00 0.00 58.31 55.47 1lyx n LYS 36 Cb 0.36 -0.92 -0.11 0.00 -1.84 0.00 0.00 35.03 32.52 1lyx n LYS 36 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1lyx s LEU 37 N -2.85 0.32 -0.19 -0.35 2.96 -0.89 -4.35 118.68 113.32 1lyx s LEU 37 Ca -0.00 0.79 -0.14 0.00 -0.22 0.00 0.00 54.13 54.56 1lyx s LEU 37 Cb 0.01 1.28 -0.04 0.00 0.50 0.00 0.00 46.19 47.94 1lyx s LEU 37 CO 0.07 -0.16 0.29 -1.81 -1.32 0.00 0.00 176.35 173.43 1lyx s ASP 38 N 0.68 6.35 -0.18 3.68 1.01 -0.75 -4.24 116.67 123.23 1lyx s ASP 38 Ca -0.04 0.41 -0.01 0.00 0.71 0.00 0.00 52.55 53.62 1lyx s ASP 38 Cb -0.05 -2.18 0.05 0.00 1.01 0.00 0.00 42.92 41.75 1lyx s ASP 38 CO -0.05 0.03 -0.04 -0.69 0.21 0.00 0.00 175.17 174.64 1lyx s VAL 39 N 0.89 1.06 -0.07 -1.27 1.01 -1.26 -0.85 120.40 119.90 1lyx s VAL 39 Ca 0.15 -0.69 0.04 0.00 0.00 0.00 0.00 61.98 61.49 1lyx s VAL 39 Cb -0.14 -1.30 -0.01 0.00 0.00 0.00 0.00 36.38 34.93 1lyx s VAL 39 CO 0.05 0.04 -0.20 -0.69 0.00 0.00 0.00 175.10 174.30 1lyx s VAL 40 N 1.64 2.50 -0.12 2.92 1.01 -0.57 -1.00 120.40 126.79 1lyx s VAL 40 Ca -0.00 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.08 1lyx s VAL 40 Cb -0.16 -1.96 -0.02 0.00 0.00 0.00 0.00 36.38 34.24 1lyx s VAL 40 CO -0.07 0.56 -0.12 -0.69 0.00 0.00 0.00 175.10 174.78 1lyx s VAL 41 N -0.15 3.20 -0.49 2.92 1.01 -0.26 -0.03 120.40 126.59 1lyx s VAL 41 Ca -0.03 -0.62 0.01 0.00 0.00 0.00 0.00 61.98 61.34 1lyx s VAL 41 Cb -0.14 -2.33 0.13 0.00 0.00 0.00 0.00 36.38 34.04 1lyx s VAL 41 CO 0.04 0.54 0.25 -0.36 0.00 0.00 0.00 175.10 175.56 1lyx s PHE 42 N 0.11 3.44 0.71 5.22 0.40 0.42 -1.93 117.98 126.35 1lyx s PHE 42 Ca -0.05 -2.89 -0.06 0.00 -0.60 0.00 0.00 56.93 53.33 1lyx s PHE 42 Cb -0.15 -3.02 0.07 0.00 0.51 0.00 0.00 43.02 40.44 1lyx s PHE 42 CO 0.04 -0.85 1.00 -1.25 0.70 0.00 0.00 175.22 174.86 1lyx s PRO 43 N 0.28 2.07 0.52 0.24 0.04 -1.25 -2.51 135.00 134.39 1lyx s PRO 43 Ca 0.14 -0.42 -0.22 0.00 0.04 0.00 0.00 61.00 60.54 1lyx s PRO 43 Cb -0.22 -2.20 -0.05 0.00 0.04 0.00 0.00 34.50 32.06 1lyx s PRO 43 CO -0.03 -1.28 1.27 0.08 0.04 0.00 0.00 177.00 177.08 1lyx s VAL 44 N -3.22 2.49 0.21 -0.36 1.01 -1.26 -4.42 120.40 114.85 1lyx s VAL 44 Ca 0.61 0.36 -0.16 0.00 0.00 0.00 0.00 61.98 62.79 1lyx s VAL 44 Cb -0.10 -3.18 0.22 0.00 0.00 0.00 0.00 36.38 33.33 1lyx s VAL 44 CO 0.44 -0.01 1.59 0.77 0.00 0.00 0.00 175.10 177.89 1lyx h SER 45 N 1.58 -1.02 0.25 3.32 4.64 -1.95 0.31 113.55 120.68 1lyx h SER 45 Ca -0.50 0.24 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 1lyx h SER 45 Cb 1.28 0.57 0.00 0.00 -0.31 0.00 0.00 62.40 63.94 1lyx h SER 45 CO 0.58 -0.28 0.00 1.33 -0.87 0.00 0.00 176.83 177.59 1lyx n VAL 46 N -5.47 0.75 0.76 0.95 0.24 -1.26 -1.91 118.33 112.39 1lyx n VAL 46 Ca 0.08 0.19 0.08 0.00 -2.04 0.00 0.00 64.34 62.65 1lyx n VAL 46 Cb 0.38 -0.99 -0.00 0.00 -1.47 0.00 0.00 33.84 31.76 1lyx n VAL 46 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 1lyx n HIS 47 N -1.31 0.00 0.05 6.34 -0.00 0.11 -4.72 115.22 115.69 1lyx n HIS 47 Ca 0.05 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.66 1lyx n HIS 47 Cb 0.10 0.00 -0.04 0.00 -0.00 0.00 0.00 29.99 30.05 1lyx n HIS 47 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.34 175.42 1lyx h TYR 48 N 1.95 -0.72 -0.55 4.41 3.20 -0.94 -1.18 116.97 123.14 1lyx h TYR 48 Ca 0.00 0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.91 1lyx h TYR 48 Cb 0.59 0.32 -0.03 0.00 1.54 0.00 0.00 36.73 39.15 1lyx h TYR 48 CO 0.00 -0.36 0.35 0.22 -1.64 0.00 0.00 178.16 176.73 1lyx h ASP 49 N -0.40 0.59 -0.43 -2.11 1.82 -1.84 0.17 116.42 114.22 1lyx h ASP 49 Ca 0.07 -0.01 -0.00 0.00 -0.39 0.00 0.00 57.03 56.70 1lyx h ASP 49 Cb 0.49 -0.13 -0.02 0.00 0.68 0.00 0.00 39.33 40.35 1lyx h ASP 49 CO -0.25 0.42 0.26 -0.74 -1.61 0.00 0.00 179.24 177.32 1lyx h HIS 50 N 0.70 0.56 -0.26 0.28 2.76 -1.84 -2.21 115.15 115.14 1lyx h HIS 50 Ca 0.21 0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 58.30 1lyx h HIS 50 Cb -0.03 -0.18 -0.01 0.00 1.55 0.00 0.00 27.41 28.74 1lyx h HIS 50 CO -0.05 0.39 -0.17 1.15 -1.30 0.00 0.00 177.93 177.95 1lyx h THR 51 N 0.57 1.30 -0.53 6.26 2.02 -0.91 -2.46 112.91 119.16 1lyx h THR 51 Ca 0.15 -1.29 0.01 0.00 0.77 0.00 0.00 66.41 66.05 1lyx h THR 51 Cb -0.01 1.57 -0.03 0.00 -1.74 0.00 0.00 68.15 67.94 1lyx h THR 51 CO -0.03 0.40 0.35 -0.09 0.37 0.00 0.00 175.52 176.53 1lyx h ARG 52 N 0.31 0.69 -0.19 6.66 9.65 -0.90 -0.85 114.38 129.75 1lyx h ARG 52 Ca 0.05 -0.04 -0.15 0.00 -1.10 0.00 0.00 59.98 58.74 1lyx h ARG 52 Cb 0.70 -0.16 0.00 0.00 -1.39 0.00 0.00 29.97 29.12 1lyx h ARG 52 CO 0.05 0.46 -0.46 -0.22 2.80 0.00 0.00 179.97 182.60 1lyx h LYS 53 N 0.72 0.64 -0.09 0.20 3.64 -1.30 -3.30 116.57 117.08 1lyx h LYS 53 Ca 0.20 -0.44 -0.17 0.00 -1.27 0.00 0.00 60.65 58.97 1lyx h LYS 53 Cb -0.07 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 1lyx h LYS 53 CO -0.04 1.06 -0.66 -0.07 -2.27 0.00 0.00 179.45 177.47 1lyx h LEU 54 N 0.32 0.40 -9.71 5.20 3.38 -1.05 -3.45 115.31 110.41 1lyx h LEU 54 Ca -0.00 -0.25 -0.50 0.00 0.09 0.00 0.00 57.88 57.22 1lyx h LEU 54 Cb 1.07 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 1lyx h LEU 54 CO 0.10 0.95 0.39 -0.22 0.09 0.00 0.00 178.44 179.75 1lyx s LEU 55 N -7.97 4.58 0.66 1.67 2.96 -0.36 -4.88 118.68 115.34 1lyx s LEU 55 Ca -0.05 1.99 -0.15 0.00 -0.22 0.00 0.00 54.13 55.70 1lyx s LEU 55 Cb 0.11 -3.61 -0.00 0.00 0.50 0.00 0.00 46.19 43.19 1lyx s LEU 55 CO 0.82 0.01 1.10 -1.10 -1.32 0.00 0.00 176.35 175.86 1lyx s GLN 56 N -0.86 2.83 0.54 1.98 -0.21 -1.26 -4.90 119.66 117.79 1lyx s GLN 56 Ca 0.44 1.34 0.29 0.00 0.02 0.00 0.00 55.36 57.45 1lyx s GLN 56 Cb -0.27 -1.96 1.58 0.00 1.00 0.00 0.00 33.01 33.37 1lyx s GLN 56 CO 0.33 -1.22 1.87 0.66 -2.12 0.00 0.00 175.29 174.81 1lyx h SER 57 N -0.03 0.00 0.65 5.90 4.64 -1.96 -0.84 113.55 121.92 1lyx h SER 57 Ca -0.46 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.84 1lyx h SER 57 Cb 1.24 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1lyx h SER 57 CO 0.54 0.00 -0.05 0.07 -0.87 0.00 0.00 176.83 176.52 1lyx h LYS 58 N 0.00 0.00 -5.91 4.77 2.10 -1.96 -3.41 116.57 112.15 1lyx h LYS 58 Ca 0.00 0.00 -0.60 0.00 -2.00 0.00 0.00 60.65 58.05 1lyx h LYS 58 Cb 0.38 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 31.65 1lyx h LYS 58 CO 0.00 0.05 -0.18 -0.06 -2.00 0.00 0.00 179.45 177.26 1lyx s PHE 59 N -3.88 3.66 0.32 0.07 0.40 -0.32 -4.73 117.98 113.50 1lyx s PHE 59 Ca -0.01 0.95 0.02 0.00 -0.60 0.00 0.00 56.93 57.29 1lyx s PHE 59 Cb 0.11 -2.38 -0.03 0.00 0.51 0.00 0.00 43.02 41.23 1lyx s PHE 59 CO 0.54 0.48 0.50 -1.12 0.70 0.00 0.00 175.22 176.32 1lyx s SER 60 N -0.50 6.30 0.15 1.36 0.01 -0.17 -4.90 113.70 115.95 1lyx s SER 60 Ca 0.24 0.36 0.01 0.00 1.31 0.00 0.00 55.95 57.87 1lyx s SER 60 Cb -0.16 -1.99 -0.04 0.00 0.21 0.00 0.00 66.02 64.03 1lyx s SER 60 CO 0.12 -0.24 0.02 0.42 0.41 0.00 0.00 173.24 173.97 1lyx s THR 61 N -2.23 0.44 0.16 1.44 -4.23 -1.26 -1.10 115.64 108.86 1lyx s THR 61 Ca 0.39 -1.94 -0.10 0.00 -1.18 0.00 0.00 61.69 58.85 1lyx s THR 61 Cb -0.09 -2.06 0.04 0.00 1.34 0.00 0.00 72.50 71.72 1lyx s THR 61 CO 0.34 -0.50 0.48 0.61 -0.54 0.00 0.00 174.62 175.01 1lyx n GLY 62 N -0.17 1.21 3.50 3.99 0.00 -0.81 -2.84 105.19 110.07 1lyx n GLY 62 Ca -0.07 -1.10 -0.26 0.00 0.00 0.00 0.00 46.02 44.60 1lyx n GLY 62 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1lyx s ILE 63 N -2.42 2.77 -1.63 -0.61 -4.36 -0.68 -3.91 121.20 110.36 1lyx s ILE 63 Ca 0.10 -1.92 0.27 0.00 -0.26 0.00 0.00 60.65 58.85 1lyx s ILE 63 Cb -0.02 -2.37 0.58 0.00 1.25 0.00 0.00 42.46 41.90 1lyx s ILE 63 CO 0.05 -0.16 1.94 0.00 0.24 0.00 0.00 174.94 177.01 1lyx n GLN 64 N 0.01 0.55 -3.55 0.37 6.02 -1.26 -1.75 117.38 117.76 1lyx n GLN 64 Ca -0.11 0.02 -0.07 0.00 -0.01 0.00 0.00 57.00 56.83 1lyx n GLN 64 Cb 0.56 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 30.30 1lyx n GLN 64 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1lyx s ASN 65 N -2.37 -0.28 0.05 1.08 2.47 -1.25 -4.43 114.94 110.21 1lyx s ASN 65 Ca 0.31 0.08 -0.09 0.00 0.42 0.00 0.00 52.86 53.58 1lyx s ASN 65 Cb 0.18 0.28 0.00 0.00 -1.45 0.00 0.00 41.25 40.26 1lyx s ASN 65 CO 0.38 -0.42 0.19 0.54 -3.72 0.00 0.00 177.10 174.07 1lyx s VAL 66 N -2.41 0.12 0.52 -5.21 0.11 -1.26 -4.87 120.40 107.40 1lyx s VAL 66 Ca 0.05 -0.98 -0.18 0.00 -2.93 0.00 0.00 61.98 57.95 1lyx s VAL 66 Cb -0.01 -1.04 -0.07 0.00 -1.53 0.00 0.00 36.38 33.73 1lyx s VAL 66 CO -0.06 -0.54 1.01 -0.55 -3.33 0.00 0.00 175.10 171.64 1lyx s SER 67 N -2.31 6.34 0.00 3.54 0.15 0.88 -4.95 113.70 117.34 1lyx s SER 67 Ca -0.02 1.73 0.25 0.00 0.70 0.00 0.00 55.95 58.62 1lyx s SER 67 Cb 0.01 -2.53 0.59 0.00 -1.71 0.00 0.00 66.02 62.37 1lyx s SER 67 CO -0.06 -0.78 1.47 2.29 1.20 0.00 0.00 173.24 177.35 1lyx n LYS 68 N -1.49 0.22 -3.11 5.44 2.85 -1.26 -4.62 118.16 116.19 1lyx n LYS 68 Ca 0.08 -0.13 -0.18 0.00 -1.05 0.00 0.00 58.31 57.03 1lyx n LYS 68 Cb 0.53 -1.50 0.02 0.00 -0.65 0.00 0.00 35.03 33.43 1lyx n LYS 68 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 1lyx s PHE 69 N -2.87 2.39 0.00 5.58 0.08 -1.26 -4.72 117.98 117.18 1lyx s PHE 69 Ca 0.15 -0.51 0.00 0.00 0.12 0.00 0.00 56.93 56.69 1lyx s PHE 69 Cb 0.18 -2.30 0.00 0.00 -0.57 0.00 0.00 43.02 40.33 1lyx s PHE 69 CO 0.65 -0.58 0.00 0.41 -0.10 0.00 0.00 175.22 175.60 1lyx n GLY 70 N -1.92 1.63 3.77 4.36 0.00 -1.26 -4.60 105.19 107.17 1lyx n GLY 70 Ca 0.09 -1.97 -0.38 0.00 0.00 0.00 0.00 46.02 43.76 1lyx n GLY 70 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1lyx s ASN 71 N -1.00 5.99 0.00 1.61 0.02 -1.26 -4.83 114.94 115.47 1lyx s ASN 71 Ca 0.00 2.46 0.00 0.00 -1.02 0.00 0.00 52.86 54.30 1lyx s ASN 71 Cb 0.00 -2.62 0.00 0.00 0.02 0.00 0.00 41.25 38.65 1lyx s ASN 71 CO 0.00 -1.05 0.00 0.61 0.02 0.00 0.00 177.10 176.68 1lyx n GLY 72 N 0.55 0.04 3.38 0.66 0.00 -1.26 -5.01 105.19 103.56 1lyx n GLY 72 Ca 0.07 -1.39 -0.43 0.00 0.00 0.00 0.00 46.02 44.27 1lyx n GLY 72 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1lyx n SER 73 N 0.00 4.78 -3.30 1.61 7.64 -1.26 -4.72 113.62 118.37 1lyx n SER 73 Ca 0.00 -2.92 -0.25 0.00 1.01 0.00 0.00 58.87 56.71 1lyx n SER 73 Cb 0.00 -1.70 -0.08 0.00 -1.01 0.00 0.00 64.21 61.42 1lyx n SER 73 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1lyx n TYR 74 N 7.45 -0.34 -1.59 1.43 4.02 -1.26 -5.11 117.16 121.76 1lyx n TYR 74 Ca 0.48 -3.50 -0.51 0.00 -0.01 0.00 0.00 57.90 54.35 1lyx n TYR 74 Cb 0.44 -0.12 -0.06 0.00 -0.02 0.00 0.00 39.34 39.59 1lyx n TYR 74 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 1lyx n THR 75 N 1.98 0.22 -0.22 -0.72 -1.04 -1.26 -1.95 114.28 111.28 1lyx n THR 75 Ca 0.25 -0.05 0.00 0.00 -2.04 0.00 0.00 64.05 62.20 1lyx n THR 75 Cb 0.50 -0.82 0.00 0.00 -1.82 0.00 0.00 70.33 68.19 1lyx n THR 75 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1lyx n GLY 76 N 2.39 1.57 3.93 3.41 0.00 -1.26 -5.05 105.19 110.18 1lyx n GLY 76 Ca 0.18 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.96 1lyx n GLY 76 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1lyx s GLU 77 N -0.35 3.33 -0.18 1.61 0.41 -0.82 -5.10 118.70 117.60 1lyx s GLU 77 Ca 0.00 -0.73 0.01 0.00 -0.41 0.00 0.00 54.97 53.83 1lyx s GLU 77 Cb 0.00 -2.86 0.02 0.00 -1.78 0.00 0.00 34.13 29.51 1lyx s GLU 77 CO 0.00 0.47 -0.19 0.08 -0.49 0.00 0.00 175.26 175.13 1lyx s VAL 78 N -1.87 1.98 0.53 2.63 1.01 -1.26 -5.00 120.40 118.42 1lyx s VAL 78 Ca 0.34 -0.89 -0.07 0.00 0.00 0.00 0.00 61.98 61.35 1lyx s VAL 78 Cb -0.10 -1.80 -0.04 0.00 0.00 0.00 0.00 36.38 34.45 1lyx s VAL 78 CO 0.28 0.52 0.88 -0.94 0.00 0.00 0.00 175.10 175.84 1lyx s SER 79 N 1.32 6.22 0.34 3.32 1.04 -1.26 -0.09 113.70 124.60 1lyx s SER 79 Ca 0.05 1.09 0.05 0.00 0.48 0.00 0.00 55.95 57.62 1lyx s SER 79 Cb -0.13 -2.30 0.61 0.00 0.10 0.00 0.00 66.02 64.30 1lyx s SER 79 CO -0.13 -0.70 1.87 0.00 0.98 0.00 0.00 173.24 175.26 1lyx h ALA 80 N 0.02 1.37 -0.62 5.32 0.00 -1.82 -2.08 119.26 121.45 1lyx h ALA 80 Ca -0.46 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.21 1lyx h ALA 80 Cb 1.20 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 1lyx h ALA 80 CO 0.62 0.43 0.29 1.05 0.00 0.00 0.00 179.25 181.64 1lyx h GLU 81 N 0.46 0.91 -0.65 0.00 9.09 -1.93 -1.01 114.58 121.44 1lyx h GLU 81 Ca 0.10 -0.14 -0.06 0.00 0.05 0.00 0.00 59.36 59.31 1lyx h GLU 81 Cb 0.36 -0.16 -0.03 0.00 -1.65 0.00 0.00 28.75 27.27 1lyx h GLU 81 CO 0.01 0.74 0.18 0.82 0.05 0.00 0.00 179.01 180.81 1lyx h ILE 82 N 0.86 1.25 -0.50 -1.06 2.04 -1.85 -2.00 117.51 116.25 1lyx h ILE 82 Ca 0.21 -0.91 -0.02 0.00 1.00 0.00 0.00 64.86 65.15 1lyx h ILE 82 Cb 0.14 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 1lyx h ILE 82 CO -0.03 0.35 0.24 0.00 0.00 0.00 0.00 178.15 178.71 1lyx h ALA 83 N 1.07 0.65 -0.51 1.87 0.00 -1.03 -2.56 119.26 118.75 1lyx h ALA 83 Ca 0.21 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1lyx h ALA 83 Cb 0.34 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1lyx h ALA 83 CO -0.00 0.21 0.09 -0.22 0.00 0.00 0.00 179.25 179.32 1lyx h LYS 84 N 0.67 0.80 -0.18 0.00 1.63 -1.02 -1.32 116.57 117.14 1lyx h LYS 84 Ca 0.17 -0.18 -0.02 0.00 -0.85 0.00 0.00 60.65 59.78 1lyx h LYS 84 Cb 0.12 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 31.62 1lyx h LYS 84 CO -0.02 0.75 0.04 0.22 -3.45 0.00 0.00 179.45 176.99 1lyx h ASP 85 N 0.77 0.23 -0.09 4.20 1.82 -1.06 -0.54 116.42 121.74 1lyx h ASP 85 Ca 0.16 -0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.78 1lyx h ASP 85 Cb 0.34 -0.06 0.00 0.00 0.68 0.00 0.00 39.33 40.29 1lyx h ASP 85 CO 0.01 0.24 0.00 0.18 -1.61 0.00 0.00 179.24 178.06 1lyx n LEU 86 N -4.42 1.71 -2.20 2.28 4.77 -0.72 -4.93 117.00 113.49 1lyx n LEU 86 Ca -0.00 -0.64 -0.19 0.00 -0.03 0.00 0.00 56.01 55.15 1lyx n LEU 86 Cb 0.14 -0.05 -0.01 0.00 -2.33 0.00 0.00 43.42 41.17 1lyx n LEU 86 CO 0.36 0.32 -0.22 0.59 -1.33 0.00 0.00 177.39 177.11 1lyx n ASN 87 N 0.34 -5.45 -4.69 -1.43 3.02 -0.21 -4.94 115.26 101.90 1lyx n ASN 87 Ca 0.18 -0.04 -0.42 0.00 -0.03 0.00 0.00 54.58 54.26 1lyx n ASN 87 Cb 0.37 -4.48 -0.03 0.00 -0.61 0.00 0.00 39.78 35.02 1lyx n ASN 87 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1lyx s ILE 88 N -2.95 3.87 0.02 2.41 1.01 -0.58 -4.93 121.20 120.05 1lyx s ILE 88 Ca 0.03 1.24 -0.15 0.00 0.00 0.00 0.00 60.65 61.76 1lyx s ILE 88 Cb -0.01 -3.79 -0.35 0.00 0.01 0.00 0.00 42.46 38.31 1lyx s ILE 88 CO 0.03 -0.00 0.95 -0.08 0.00 0.00 0.00 174.94 175.84 1lyx h GLU 89 N 7.74 0.53 -5.73 2.79 4.81 -1.88 -3.42 114.58 119.40 1lyx h GLU 89 Ca -0.37 -0.90 -0.51 0.00 -0.13 0.00 0.00 59.36 57.45 1lyx h GLU 89 Cb 1.17 0.34 -0.14 0.00 0.63 0.00 0.00 28.75 30.75 1lyx h GLU 89 CO 0.90 1.43 -0.73 0.71 -0.73 0.00 0.00 179.01 180.59 1lyx s TYR 90 N -2.60 1.93 -0.01 0.92 1.51 -1.13 -1.55 117.35 116.43 1lyx s TYR 90 Ca -0.10 -0.53 -0.03 0.00 -1.01 0.00 0.00 57.07 55.40 1lyx s TYR 90 Cb 0.04 -0.93 -0.00 0.00 -0.11 0.00 0.00 41.96 40.96 1lyx s TYR 90 CO 0.94 0.45 0.06 0.14 -1.11 0.00 0.00 175.55 176.02 1lyx s VAL 91 N -2.85 0.06 -0.13 0.71 -7.23 -0.65 -1.69 120.40 108.62 1lyx s VAL 91 Ca 0.26 -0.46 -0.10 0.00 -1.81 0.00 0.00 61.98 59.87 1lyx s VAL 91 Cb -0.01 -0.24 -0.05 0.00 0.56 0.00 0.00 36.38 36.64 1lyx s VAL 91 CO 0.10 -0.25 0.19 -0.63 -0.31 0.00 0.00 175.10 174.20 1lyx s ILE 92 N -0.80 5.40 -0.02 -0.62 1.01 -0.72 -1.01 121.20 124.44 1lyx s ILE 92 Ca -0.09 0.33 0.03 0.00 0.00 0.00 0.00 60.65 60.93 1lyx s ILE 92 Cb -0.05 -3.49 -0.00 0.00 0.01 0.00 0.00 42.46 38.92 1lyx s ILE 92 CO 0.00 0.54 -0.12 -0.63 0.00 0.00 0.00 174.94 174.73 1lyx s ILE 93 N -0.48 0.96 -0.29 2.92 1.01 0.11 -3.90 121.20 121.53 1lyx s ILE 93 Ca 0.15 -0.48 0.00 0.00 0.00 0.00 0.00 60.65 60.32 1lyx s ILE 93 Cb -0.12 -0.83 0.00 0.00 0.01 0.00 0.00 42.46 41.52 1lyx s ILE 93 CO 0.04 0.28 0.00 0.61 0.00 0.00 0.00 174.94 175.87 1lyx n GLY 94 N 3.08 0.60 3.66 6.18 0.00 -1.26 -0.74 105.19 116.71 1lyx n GLY 94 Ca -0.17 -0.56 -0.41 0.00 0.00 0.00 0.00 46.02 44.88 1lyx n GLY 94 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1lyx n HIS 95 N -2.85 1.75 -0.28 1.61 -0.00 -1.26 -4.45 115.22 109.73 1lyx n HIS 95 Ca -0.03 0.54 0.12 0.00 0.46 0.00 0.00 57.72 58.81 1lyx n HIS 95 Cb 0.13 -2.32 0.37 0.00 -0.12 0.00 0.00 29.99 28.05 1lyx n HIS 95 CO 0.00 0.00 0.00 0.35 0.46 0.00 0.00 176.34 177.15 1lyx h PHE 96 N 1.90 0.84 0.00 1.57 -0.00 -1.94 0.20 116.94 119.51 1lyx h PHE 96 Ca -0.46 0.02 -0.03 0.00 -0.00 0.00 0.00 57.97 57.51 1lyx h PHE 96 Cb 1.31 -0.26 -0.00 0.00 -0.00 0.00 0.00 35.95 36.99 1lyx h PHE 96 CO 0.46 0.29 -0.13 0.93 -0.00 0.00 0.00 178.31 179.87 1lyx h GLU 97 N 0.70 0.00 0.03 1.11 5.08 -1.98 0.16 114.58 119.68 1lyx h GLU 97 Ca 0.47 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.59 1lyx h GLU 97 Cb 0.76 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.98 1lyx h GLU 97 CO -0.22 0.13 -1.16 0.00 -1.00 0.00 0.00 179.01 176.76 1lyx h ARG 98 N 0.00 0.06 -0.08 2.33 3.08 -1.27 -2.07 114.38 116.42 1lyx h ARG 98 Ca -0.00 -0.09 -0.19 0.00 0.07 0.00 0.00 59.98 59.76 1lyx h ARG 98 Cb 0.24 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.33 1lyx h ARG 98 CO 0.02 0.98 -0.75 0.00 -1.07 0.00 0.00 179.97 179.14 1lyx h ARG 99 N 0.02 0.44 0.03 0.04 3.08 -1.00 -2.76 114.38 114.21 1lyx h ARG 99 Ca -0.08 -0.37 -0.00 0.00 0.07 0.00 0.00 59.98 59.60 1lyx h ARG 99 Cb 1.85 0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.98 1lyx h ARG 99 CO 0.14 1.01 -0.01 -0.22 -1.07 0.00 0.00 179.97 179.81 1lyx h LYS 100 N 0.29 -0.03 -0.01 0.04 3.64 -0.73 -3.36 116.57 116.41 1lyx h LYS 100 Ca -0.04 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.20 1lyx h LYS 100 Cb 1.34 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 33.15 1lyx h LYS 100 CO 0.13 -0.02 -0.67 1.88 -2.27 0.00 0.00 179.45 178.50 1lyx h TYR 101 N -0.39 0.09 -2.12 1.91 -1.99 -1.57 -3.42 116.97 109.48 1lyx h TYR 101 Ca -0.00 -0.04 -0.54 0.00 2.00 0.00 0.00 58.73 60.14 1lyx h TYR 101 Cb 0.03 -0.01 -0.08 0.00 2.00 0.00 0.00 36.73 38.66 1lyx h TYR 101 CO 0.01 0.71 -0.59 -0.06 -0.00 0.00 0.00 178.16 178.23 1lyx s PHE 102 N -3.54 2.78 -0.84 4.88 0.40 -1.06 -5.03 117.98 115.57 1lyx s PHE 102 Ca -0.02 -0.24 -0.02 0.00 -0.60 0.00 0.00 56.93 56.05 1lyx s PHE 102 Cb 0.12 -1.35 0.32 0.00 0.51 0.00 0.00 43.02 42.62 1lyx s PHE 102 CO 0.78 0.53 2.07 0.72 0.70 0.00 0.00 175.22 180.02 1lyx n HIS 103 N -1.02 2.85 -2.48 0.36 8.25 -1.24 -3.91 115.22 118.04 1lyx n HIS 103 Ca -0.06 -2.31 -0.42 0.00 -0.26 0.00 0.00 57.72 54.67 1lyx n HIS 103 Cb 0.59 -1.21 -0.03 0.00 1.12 0.00 0.00 29.99 30.46 1lyx n HIS 103 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1lyx s GLU 104 N -3.90 4.47 0.50 -0.41 2.02 -1.11 -5.01 118.70 115.26 1lyx s GLU 104 Ca 0.52 1.71 0.05 0.00 0.02 0.00 0.00 54.97 57.27 1lyx s GLU 104 Cb 0.41 -3.36 0.00 0.00 0.10 0.00 0.00 34.13 31.29 1lyx s GLU 104 CO -0.38 -0.20 0.29 0.95 0.02 0.00 0.00 175.26 175.95 1lyx s THR 105 N 0.95 1.83 0.52 3.63 -4.23 -1.26 -4.44 115.64 112.65 1lyx s THR 105 Ca 0.57 -1.59 0.17 0.00 -1.18 0.00 0.00 61.69 59.66 1lyx s THR 105 Cb -0.28 -2.43 0.28 0.00 1.34 0.00 0.00 72.50 71.41 1lyx s THR 105 CO 0.29 0.00 2.15 0.44 -0.54 0.00 0.00 174.62 176.97 1lyx h ASP 106 N 1.02 0.00 -0.53 3.99 3.32 -1.97 -0.21 116.42 122.04 1lyx h ASP 106 Ca -0.40 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.55 1lyx h ASP 106 Cb 1.29 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.82 1lyx h ASP 106 CO 0.62 0.01 -0.05 -0.33 -1.72 0.00 0.00 179.24 177.77 1lyx h GLU 107 N 0.00 1.00 -0.37 3.56 3.07 -1.94 -1.43 114.58 118.47 1lyx h GLU 107 Ca -0.00 -0.33 -0.14 0.00 -0.50 0.00 0.00 59.36 58.38 1lyx h GLU 107 Cb 0.01 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 27.83 1lyx h GLU 107 CO 0.00 1.01 -0.34 -0.44 -1.40 0.00 0.00 179.01 177.84 1lyx h ASP 108 N 0.90 0.89 -0.50 1.42 3.32 -1.47 -2.32 116.42 118.66 1lyx h ASP 108 Ca 0.15 -0.38 -0.00 0.00 0.02 0.00 0.00 57.03 56.81 1lyx h ASP 108 Cb 0.60 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 1lyx h ASP 108 CO 0.04 1.15 0.30 0.58 -1.72 0.00 0.00 179.24 179.58 1lyx h VAL 109 N 0.70 1.16 -0.29 -1.35 2.07 -0.97 -0.37 116.25 117.20 1lyx h VAL 109 Ca 0.07 -0.38 -0.14 0.00 0.82 0.00 0.00 66.70 67.07 1lyx h VAL 109 Cb 0.91 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 1lyx h VAL 109 CO 0.08 0.17 -0.39 0.08 0.02 0.00 0.00 177.57 177.53 1lyx h ARG 110 N 0.67 0.69 -0.16 1.57 0.11 -1.18 -1.79 114.38 114.30 1lyx h ARG 110 Ca 0.18 -0.36 -0.13 0.00 0.10 0.00 0.00 59.98 59.77 1lyx h ARG 110 Cb 0.01 0.01 -0.01 0.00 1.11 0.00 0.00 29.97 31.08 1lyx h ARG 110 CO -0.03 0.97 -0.48 0.93 0.10 0.00 0.00 179.97 181.46 1lyx h GLU 111 N 0.57 0.41 -0.14 0.08 5.08 -1.23 -1.25 114.58 118.10 1lyx h GLU 111 Ca 0.05 -0.23 -0.15 0.00 -1.00 0.00 0.00 59.36 58.03 1lyx h GLU 111 Cb 0.93 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.18 1lyx h GLU 111 CO 0.08 0.80 -0.56 0.87 -1.00 0.00 0.00 179.01 179.21 1lyx h LYS 112 N 0.33 0.43 -0.31 2.33 1.57 -0.96 -2.11 116.57 117.84 1lyx h LYS 112 Ca 0.02 -0.27 -0.15 0.00 -1.87 0.00 0.00 60.65 58.38 1lyx h LYS 112 Cb 0.96 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.30 1lyx h LYS 112 CO 0.08 0.87 -0.39 1.25 -0.57 0.00 0.00 179.45 180.70 1lyx h LEU 113 N 0.33 0.87 -0.82 2.94 5.85 -1.13 -1.63 115.31 121.72 1lyx h LEU 113 Ca 0.00 -0.49 -0.01 0.00 0.84 0.00 0.00 57.88 58.23 1lyx h LEU 113 Cb 1.08 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.82 1lyx h LEU 113 CO 0.10 1.19 0.49 -0.61 -0.34 0.00 0.00 178.44 179.27 1lyx h GLN 114 N 0.58 1.12 -0.45 1.25 4.15 -1.16 -0.29 115.11 120.31 1lyx h GLN 114 Ca 0.04 -0.11 -0.10 0.00 0.77 0.00 0.00 58.65 59.25 1lyx h GLN 114 Cb 0.98 -0.23 -0.02 0.00 0.21 0.00 0.00 27.48 28.42 1lyx h GLN 114 CO 0.09 0.79 -0.12 0.00 -1.93 0.00 0.00 178.83 177.66 1lyx h ALA 115 N 1.26 0.94 -0.02 3.38 0.00 -1.28 -1.70 119.26 121.85 1lyx h ALA 115 Ca 0.29 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1lyx h ALA 115 Cb -0.03 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 1lyx h ALA 115 CO -0.05 0.62 -0.01 0.77 0.00 0.00 0.00 179.25 180.57 1lyx h SER 116 N 0.73 0.04 -0.28 0.00 0.02 -0.74 -2.75 113.55 110.57 1lyx h SER 116 Ca 0.12 -0.46 -0.04 0.00 -0.84 0.00 0.00 61.79 60.57 1lyx h SER 116 Cb 0.62 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 63.13 1lyx h SER 116 CO 0.04 0.49 0.06 -0.07 -1.14 0.00 0.00 176.83 176.21 1lyx h LEU 117 N -0.41 0.52 -1.47 5.07 3.38 -1.08 0.14 115.31 121.45 1lyx h LEU 117 Ca 0.00 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 1lyx h LEU 117 Cb 0.48 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1lyx h LEU 117 CO 0.00 0.55 0.03 0.50 0.09 0.00 0.00 178.44 179.61 1lyx h LYS 118 N 0.54 0.37 -0.59 1.13 3.64 -1.28 -1.99 116.57 118.39 1lyx h LYS 118 Ca 0.12 -0.06 -0.10 0.00 -1.27 0.00 0.00 60.65 59.35 1lyx h LYS 118 Cb 0.26 -0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 31.96 1lyx h LYS 118 CO 0.00 0.38 0.11 0.09 -2.27 0.00 0.00 179.45 177.76 1lyx n ASN 119 N -4.36 5.01 -3.38 4.20 3.02 -0.75 -4.94 115.26 114.06 1lyx n ASN 119 Ca 0.01 -3.10 -0.25 0.00 -0.03 0.00 0.00 54.58 51.21 1lyx n ASN 119 Cb 0.19 -0.69 0.02 0.00 -0.61 0.00 0.00 39.78 38.69 1lyx n ASN 119 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1lyx n ASN 120 N 0.08 -5.09 -4.90 6.41 3.02 -0.75 -4.80 115.26 109.23 1lyx n ASN 120 Ca 0.33 -0.45 -0.32 0.00 -0.03 0.00 0.00 54.58 54.11 1lyx n ASN 120 Cb 1.23 -4.11 -0.05 0.00 -0.61 0.00 0.00 39.78 36.24 1lyx n ASN 120 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1lyx s LEU 121 N -6.81 4.30 0.02 3.41 1.43 0.42 -5.00 118.68 116.45 1lyx s LEU 121 Ca 0.44 0.53 -0.15 0.00 -1.03 0.00 0.00 54.13 53.93 1lyx s LEU 121 Cb -0.21 -3.17 -0.06 0.00 0.03 0.00 0.00 46.19 42.78 1lyx s LEU 121 CO 0.54 0.10 0.43 -0.54 0.23 0.00 0.00 176.35 177.11 1lyx s LYS 122 N -2.51 3.93 0.02 1.70 1.02 -0.59 -4.19 119.74 119.13 1lyx s LYS 122 Ca 0.38 0.43 0.07 0.00 0.02 0.00 0.00 55.97 56.87 1lyx s LYS 122 Cb -0.12 -3.18 -0.02 0.00 -0.52 0.00 0.00 37.83 33.98 1lyx s LYS 122 CO 0.24 0.66 -0.22 0.00 -0.92 0.00 0.00 175.35 175.11 1lyx s ALA 123 N -1.14 1.85 -0.37 5.17 0.00 -0.53 -1.63 121.76 125.11 1lyx s ALA 123 Ca 0.26 -1.05 -0.05 0.00 0.00 0.00 0.00 51.96 51.11 1lyx s ALA 123 Cb -0.17 -0.40 0.07 0.00 0.00 0.00 0.00 23.12 22.62 1lyx s ALA 123 CO 0.15 0.43 0.15 0.08 0.00 0.00 0.00 175.76 176.57 1lyx s VAL 124 N -0.71 3.63 -0.23 0.00 1.01 -0.18 -0.56 120.40 123.37 1lyx s VAL 124 Ca 0.08 -1.49 -0.10 0.00 0.00 0.00 0.00 61.98 60.47 1lyx s VAL 124 Cb -0.09 -3.22 -0.05 0.00 0.00 0.00 0.00 36.38 33.02 1lyx s VAL 124 CO 0.01 -0.39 0.14 -0.69 0.00 0.00 0.00 175.10 174.17 1lyx s VAL 125 N 1.31 5.30 0.10 2.92 1.01 0.14 0.07 120.40 131.25 1lyx s VAL 125 Ca 0.01 0.16 0.04 0.00 0.00 0.00 0.00 61.98 62.19 1lyx s VAL 125 Cb -0.21 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 1lyx s VAL 125 CO 0.00 0.38 0.05 0.00 0.00 0.00 0.00 175.10 175.53 1lyx s PHE 127 N -1.43 -0.27 0.00 0.00 -0.12 -0.75 -4.61 117.98 110.80 1lyx s PHE 127 Ca 0.28 -0.11 0.00 0.00 -0.05 0.00 0.00 56.93 57.05 1lyx s PHE 127 Cb -0.12 0.66 0.00 0.00 -0.63 0.00 0.00 43.02 42.94 1lyx s PHE 127 CO 0.21 -1.08 0.00 0.41 -0.05 0.00 0.00 175.22 174.71 1lyx n GLY 128 N -0.44 2.26 3.88 1.99 0.00 -1.26 0.25 105.19 111.88 1lyx n GLY 128 Ca -0.07 -0.92 -0.27 0.00 0.00 0.00 0.00 46.02 44.76 1lyx n GLY 128 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1lyx s GLU 129 N -2.00 3.21 0.68 1.61 1.03 -1.26 -4.77 118.70 117.20 1lyx s GLU 129 Ca 0.00 -0.69 -0.08 0.00 0.03 0.00 0.00 54.97 54.22 1lyx s GLU 129 Cb 0.00 -2.84 0.03 0.00 -0.80 0.00 0.00 34.13 30.53 1lyx s GLU 129 CO 0.00 0.52 1.01 -1.54 -1.33 0.00 0.00 175.26 173.92 1lyx s SER 130 N -3.09 5.20 0.19 0.83 1.04 -1.26 -1.97 113.70 114.64 1lyx s SER 130 Ca 0.33 0.74 -0.12 0.00 0.48 0.00 0.00 55.95 57.38 1lyx s SER 130 Cb -0.11 -1.53 0.15 0.00 0.10 0.00 0.00 66.02 64.63 1lyx s SER 130 CO 0.26 -1.39 1.82 0.25 0.98 0.00 0.00 173.24 175.16 1lyx h LEU 131 N -0.52 0.53 -0.71 2.42 5.85 -1.98 -1.73 115.31 119.18 1lyx h LEU 131 Ca -0.45 0.01 0.08 0.00 0.84 0.00 0.00 57.88 58.36 1lyx h LEU 131 Cb 1.28 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 42.15 1lyx h LEU 131 CO 0.62 0.37 0.38 -0.08 -0.34 0.00 0.00 178.44 179.39 1lyx h GLU 132 N 0.66 0.66 -0.44 1.25 4.81 -1.99 -0.18 114.58 119.35 1lyx h GLU 132 Ca 0.24 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 59.32 1lyx h GLU 132 Cb 0.06 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 1lyx h GLU 132 CO -0.12 0.44 -0.18 1.96 -0.73 0.00 0.00 179.01 180.38 1lyx h GLN 133 N 0.68 0.85 -0.50 1.92 4.20 -1.82 -2.70 115.11 117.75 1lyx h GLN 133 Ca 0.33 -0.33 -0.06 0.00 0.06 0.00 0.00 58.65 58.65 1lyx h GLN 133 Cb 0.27 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 1lyx h GLN 133 CO -0.22 0.96 0.07 -0.09 -0.67 0.00 0.00 178.83 178.88 1lyx h ARG 134 N 0.75 0.83 0.00 1.46 2.43 -0.54 0.13 114.38 119.44 1lyx h ARG 134 Ca 0.11 -0.23 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 1lyx h ARG 134 Cb 0.70 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.16 1lyx h ARG 134 CO 0.05 0.83 0.00 0.39 -1.51 0.00 0.00 179.97 179.74 1lyx n GLU 135 N -4.40 0.15 -0.13 0.20 1.02 -0.15 -1.08 120.64 116.25 1lyx n GLU 135 Ca 0.01 0.43 0.11 0.00 -0.02 0.00 0.00 57.16 57.69 1lyx n GLU 135 Cb 0.26 -1.81 0.17 0.00 -0.02 0.00 0.00 31.44 30.04 1lyx n GLU 135 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1lyx n GLN 136 N -2.10 2.32 -3.29 3.49 1.13 -0.94 -4.96 117.38 113.04 1lyx n GLN 136 Ca 0.02 -2.11 -0.20 0.00 -1.94 0.00 0.00 57.00 52.78 1lyx n GLN 136 Cb 0.18 -1.47 0.06 0.00 0.11 0.00 0.00 30.24 29.13 1lyx n GLN 136 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1lyx n ASN 137 N 1.35 -5.61 -0.77 1.08 4.13 -0.24 -4.91 115.26 110.29 1lyx n ASN 137 Ca 0.17 -0.40 0.07 0.00 1.68 0.00 0.00 54.58 56.10 1lyx n ASN 137 Cb 0.57 -4.27 0.16 0.00 -1.54 0.00 0.00 39.78 34.70 1lyx n ASN 137 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1lyx n LYS 138 N -4.08 2.35 -0.15 3.52 5.02 -0.01 -4.77 118.16 120.04 1lyx n LYS 138 Ca -0.02 -1.99 -0.09 0.00 -2.02 0.00 0.00 58.31 54.19 1lyx n LYS 138 Cb 0.56 -1.33 -0.07 0.00 -0.02 0.00 0.00 35.03 34.17 1lyx n LYS 138 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1lyx h THR 139 N 2.70 0.00 -0.56 -0.18 2.02 -1.86 0.15 112.91 115.18 1lyx h THR 139 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 1lyx h THR 139 Cb 0.75 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.13 1lyx h THR 139 CO 0.00 0.00 0.27 0.40 0.37 0.00 0.00 175.52 176.56 1lyx h ILE 140 N -0.18 1.19 -0.32 3.11 1.08 -1.96 -0.24 117.51 120.19 1lyx h ILE 140 Ca 0.07 -0.54 -0.03 0.00 -0.39 0.00 0.00 64.86 63.97 1lyx h ILE 140 Cb 0.36 0.48 -0.01 0.00 -3.07 0.00 0.00 36.82 34.57 1lyx h ILE 140 CO -0.47 0.22 0.08 -0.08 -0.69 0.00 0.00 178.15 177.21 1lyx h GLU 141 N 0.79 0.51 -0.22 2.37 4.81 -1.70 0.23 114.58 121.37 1lyx h GLU 141 Ca 0.20 -0.12 -0.04 0.00 -0.13 0.00 0.00 59.36 59.27 1lyx h GLU 141 Cb 0.09 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 1lyx h GLU 141 CO -0.03 0.57 -0.01 0.28 -0.73 0.00 0.00 179.01 179.09 1lyx h VAL 142 N 0.35 1.26 -0.53 0.32 2.07 -0.38 -2.35 116.25 116.99 1lyx h VAL 142 Ca 0.10 -0.93 0.00 0.00 0.82 0.00 0.00 66.70 66.69 1lyx h VAL 142 Cb 0.29 1.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.47 1lyx h VAL 142 CO 0.00 0.29 0.34 0.40 0.02 0.00 0.00 177.57 178.61 1lyx h ILE 143 N 0.15 1.15 -0.58 4.57 1.08 -1.00 -1.59 117.51 121.29 1lyx h ILE 143 Ca 0.06 -0.31 0.01 0.00 -0.39 0.00 0.00 64.86 64.23 1lyx h ILE 143 Cb 0.43 0.40 -0.03 0.00 -3.07 0.00 0.00 36.82 34.55 1lyx h ILE 143 CO 0.01 0.15 0.38 0.74 -0.69 0.00 0.00 178.15 178.75 1lyx h THR 144 N 0.72 1.15 -0.50 -0.27 2.02 -0.90 -1.19 112.91 113.94 1lyx h THR 144 Ca 0.19 -0.27 -0.01 0.00 0.77 0.00 0.00 66.41 67.09 1lyx h THR 144 Cb -0.05 0.29 -0.02 0.00 -1.74 0.00 0.00 68.15 66.63 1lyx h THR 144 CO -0.04 0.14 0.28 0.50 0.37 0.00 0.00 175.52 176.77 1lyx h LYS 145 N 0.79 0.70 -0.72 6.66 3.64 -1.11 -1.00 116.57 125.53 1lyx h LYS 145 Ca 0.21 -0.08 -0.04 0.00 -1.27 0.00 0.00 60.65 59.47 1lyx h LYS 145 Cb -0.09 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 31.56 1lyx h LYS 145 CO -0.05 0.54 0.29 1.96 -2.27 0.00 0.00 179.45 179.93 1lyx h GLN 146 N 0.67 1.07 -0.15 1.90 4.20 -0.89 -2.50 115.11 119.40 1lyx h GLN 146 Ca 0.18 -0.19 -0.06 0.00 0.06 0.00 0.00 58.65 58.64 1lyx h GLN 146 Cb 0.05 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 27.65 1lyx h GLN 146 CO -0.03 0.88 -0.12 0.28 -0.67 0.00 0.00 178.83 179.16 1lyx h VAL 147 N 1.02 1.33 0.00 -0.54 2.07 -1.08 -2.96 116.25 116.10 1lyx h VAL 147 Ca 0.24 -1.25 0.00 0.00 0.82 0.00 0.00 66.70 66.51 1lyx h VAL 147 Cb 0.20 1.82 0.00 0.00 -1.52 0.00 0.00 31.29 31.79 1lyx h VAL 147 CO -0.02 0.37 0.06 0.11 0.02 0.00 0.00 177.57 178.11 1lyx h LYS 148 N 0.00 0.00 0.00 1.57 1.79 -1.08 -0.70 116.57 118.15 1lyx h LYS 148 Ca 0.03 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.50 1lyx h LYS 148 Cb 0.64 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.29 1lyx h LYS 148 CO 0.03 0.00 0.00 0.00 -1.08 0.00 0.00 179.45 178.40 1lyx h ALA 149 N 1.87 1.00 0.00 3.86 0.00 -1.27 -3.37 119.26 121.35 1lyx h ALA 149 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1lyx h ALA 149 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1lyx h ALA 149 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 179.25 181.22 1lyx n PHE 150 N -2.75 0.00 0.12 0.00 1.16 -0.49 -4.68 117.46 110.82 1lyx n PHE 150 Ca 0.01 0.00 0.16 0.00 -1.87 0.00 0.00 57.45 55.74 1lyx n PHE 150 Cb 0.24 0.00 0.69 0.00 -1.61 0.00 0.00 39.48 38.80 1lyx n PHE 150 CO 0.00 0.00 0.00 -0.24 -1.87 0.00 0.00 176.76 174.65 1lyx h VAL 151 N 0.23 0.80 0.00 1.97 3.04 -1.34 -1.82 116.25 119.13 1lyx h VAL 151 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1lyx h VAL 151 Cb 0.12 0.84 0.00 0.00 -2.01 0.00 0.00 31.29 30.24 1lyx h VAL 151 CO 0.00 0.00 0.00 -2.24 -1.01 0.00 0.00 177.57 174.32 1lyx h ASP 152 N 0.00 0.00 1.67 3.17 2.03 -1.86 -2.90 116.42 118.53 1lyx h ASP 152 Ca 0.14 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.44 1lyx h ASP 152 Cb 0.60 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.10 1lyx h ASP 152 CO -0.00 0.00 0.00 -0.07 -1.03 0.00 0.00 179.24 178.14 1lyx h LEU 153 N 0.00 0.00 -9.07 0.15 3.38 -1.72 -3.45 115.31 104.61 1lyx h LEU 153 Ca 0.00 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.41 1lyx h LEU 153 Cb 0.43 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 1lyx h LEU 153 CO 0.00 0.00 1.14 -0.63 0.09 0.00 0.00 178.44 179.04 1lyx s ILE 154 N -3.33 3.65 -0.20 1.22 1.01 -1.10 -4.87 121.20 117.58 1lyx s ILE 154 Ca 0.06 0.74 0.05 0.00 0.00 0.00 0.00 60.65 61.49 1lyx s ILE 154 Cb 0.07 -3.64 -0.15 0.00 0.01 0.00 0.00 42.46 38.74 1lyx s ILE 154 CO 0.62 -0.25 -0.13 -0.90 0.00 0.00 0.00 174.94 174.28 1lyx n ASP 155 N 8.39 2.01 -4.11 3.58 5.68 -1.26 -4.86 116.55 125.98 1lyx n ASP 155 Ca 0.19 -0.09 -0.33 0.00 -0.50 0.00 0.00 54.79 54.06 1lyx n ASP 155 Cb 0.45 -0.03 -0.14 0.00 -1.14 0.00 0.00 41.12 40.25 1lyx n ASP 155 CO 0.00 0.00 0.00 0.21 -1.33 0.00 0.00 177.20 176.08 1lyx s ASN 156 N -5.81 4.76 0.00 -1.12 3.84 -1.26 -4.99 114.94 110.35 1lyx s ASN 156 Ca -0.24 -1.54 0.06 0.00 0.21 0.00 0.00 52.86 51.36 1lyx s ASN 156 Cb 0.07 -1.65 0.37 0.00 -0.55 0.00 0.00 41.25 39.48 1lyx s ASN 156 CO 0.53 -0.28 0.88 0.49 -2.79 0.00 0.00 177.10 175.93 1lyx n PHE 157 N 4.49 0.00 0.10 0.43 3.01 -1.26 -1.85 117.46 122.38 1lyx n PHE 157 Ca -0.10 0.00 0.10 0.00 1.01 0.00 0.00 57.45 58.47 1lyx n PHE 157 Cb 0.42 0.00 -0.16 0.00 -0.01 0.00 0.00 39.48 39.74 1lyx n PHE 157 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1lyx n ASP 158 N -0.67 0.36 -0.38 4.37 8.00 -1.26 -3.93 116.55 123.03 1lyx n ASP 158 Ca 0.05 -0.11 0.12 0.00 0.71 0.00 0.00 54.79 55.56 1lyx n ASP 158 Cb 0.02 1.84 0.21 0.00 -0.02 0.00 0.00 41.12 43.17 1lyx n ASP 158 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1lyx n ASN 159 N -2.13 1.53 -4.13 -2.24 5.03 -0.77 -4.83 115.26 107.71 1lyx n ASN 159 Ca -0.03 -1.21 -0.30 0.00 0.87 0.00 0.00 54.58 53.91 1lyx n ASN 159 Cb 0.51 0.28 -0.17 0.00 -1.02 0.00 0.00 39.78 39.38 1lyx n ASN 159 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1lyx s VAL 160 N -2.46 1.72 -0.11 2.41 1.01 -1.24 -1.45 120.40 120.27 1lyx s VAL 160 Ca 0.22 -0.80 0.03 0.00 0.00 0.00 0.00 61.98 61.44 1lyx s VAL 160 Cb 0.19 -1.52 0.00 0.00 0.00 0.00 0.00 36.38 35.05 1lyx s VAL 160 CO 0.53 0.48 -0.22 -0.63 0.00 0.00 0.00 175.10 175.26 1lyx s ILE 161 N 0.66 2.17 0.13 2.22 1.09 0.28 -4.44 121.20 123.31 1lyx s ILE 161 Ca -0.13 -0.97 -0.13 0.00 -1.10 0.00 0.00 60.65 58.33 1lyx s ILE 161 Cb -0.16 -1.85 -0.07 0.00 -1.06 0.00 0.00 42.46 39.32 1lyx s ILE 161 CO 0.03 0.55 0.50 -0.76 -0.10 0.00 0.00 174.94 175.16 1lyx s LEU 162 N 0.46 4.34 -0.14 2.97 1.43 -0.43 -0.68 118.68 126.63 1lyx s LEU 162 Ca -0.15 0.97 -0.01 0.00 -1.03 0.00 0.00 54.13 53.91 1lyx s LEU 162 Cb -0.17 -3.18 0.04 0.00 0.03 0.00 0.00 46.19 42.90 1lyx s LEU 162 CO 0.06 0.12 -0.03 -0.69 0.23 0.00 0.00 176.35 176.04 1lyx s VAL 163 N -1.45 0.82 -0.41 -1.59 1.01 0.39 -0.23 120.40 118.94 1lyx s VAL 163 Ca 0.36 -0.36 -0.23 0.00 0.00 0.00 0.00 61.98 61.75 1lyx s VAL 163 Cb -0.14 -1.01 0.02 0.00 0.00 0.00 0.00 36.38 35.24 1lyx s VAL 163 CO 0.19 0.16 0.78 -0.47 0.00 0.00 0.00 175.10 175.76 1lyx s TYR 164 N 1.77 3.05 -0.78 5.22 5.04 0.10 -1.81 117.35 129.94 1lyx s TYR 164 Ca 0.02 0.36 0.03 0.00 -2.44 0.00 0.00 57.07 55.04 1lyx s TYR 164 Cb -0.14 -3.53 0.19 0.00 0.35 0.00 0.00 41.96 38.83 1lyx s TYR 164 CO -0.07 -0.85 0.62 0.39 -1.34 0.00 0.00 175.55 174.29 1lyx n GLU 165 N 6.56 2.17 -1.67 4.97 1.02 0.14 -1.44 120.64 132.40 1lyx n GLU 165 Ca 0.03 -4.50 -0.42 0.00 -0.02 0.00 0.00 57.16 52.25 1lyx n GLU 165 Cb 0.48 -2.33 -0.03 0.00 -0.02 0.00 0.00 31.44 29.54 1lyx n GLU 165 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1lyx s PRO 166 N -1.49 4.14 0.32 3.49 0.04 -1.25 -4.20 135.00 136.04 1lyx s PRO 166 Ca 0.26 2.63 0.08 0.00 0.04 0.00 0.00 61.00 64.01 1lyx s PRO 166 Cb -0.05 -4.07 0.78 0.00 0.04 0.00 0.00 34.50 31.21 1lyx s PRO 166 CO -0.15 -0.94 1.80 1.25 0.04 0.00 0.00 177.00 179.00 1lyx h LEU 167 N 10.28 0.74 0.00 -3.56 5.85 -1.69 0.67 115.31 127.59 1lyx h LEU 167 Ca -0.49 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.31 1lyx h LEU 167 Cb 1.24 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.21 1lyx h LEU 167 CO 0.94 0.28 0.00 -2.67 -0.34 0.00 0.00 178.44 176.66 1lyx n TRP 168 N -4.70 0.00 0.64 1.25 4.27 -1.26 -2.46 117.44 115.18 1lyx n TRP 168 Ca 0.22 0.00 0.07 0.00 -3.89 0.00 0.00 57.50 53.90 1lyx n TRP 168 Cb 0.57 -0.37 0.02 0.00 -1.36 0.00 0.00 31.31 30.17 1lyx n TRP 168 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1lyx n ALA 169 N -1.37 2.87 -2.60 -1.67 0.00 0.22 -4.65 120.51 113.31 1lyx n ALA 169 Ca 0.04 -0.55 -0.43 0.00 0.00 0.00 0.00 53.44 52.50 1lyx n ALA 169 Cb 0.10 -0.51 -0.02 0.00 0.00 0.00 0.00 19.45 19.01 1lyx n ALA 169 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1lyx s ILE 170 N -1.59 4.31 -1.29 0.00 1.01 -1.03 -1.93 121.20 120.67 1lyx s ILE 170 Ca 0.14 1.25 0.00 0.00 0.00 0.00 0.00 60.65 62.04 1lyx s ILE 170 Cb 0.12 -4.54 0.00 0.00 0.01 0.00 0.00 42.46 38.05 1lyx s ILE 170 CO 0.30 -0.88 0.00 0.61 0.00 0.00 0.00 174.94 174.98 1lyx n GLY 171 N 4.67 1.20 0.05 6.18 0.00 -1.26 -4.83 105.19 111.20 1lyx n GLY 171 Ca 0.11 -0.06 0.02 0.00 0.00 0.00 0.00 46.02 46.09 1lyx n GLY 171 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1lyx n THR 172 N -2.31 0.59 -0.03 2.61 -2.24 -1.25 -4.98 114.28 106.65 1lyx n THR 172 Ca -0.12 -0.64 0.00 0.00 -2.27 0.00 0.00 64.05 61.02 1lyx n THR 172 Cb 0.57 -0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.60 1lyx n THR 172 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1lyx n GLY 173 N 1.50 0.52 3.36 3.38 0.00 -1.26 -4.99 105.19 107.69 1lyx n GLY 173 Ca -0.16 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.40 1lyx n GLY 173 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1lyx s LYS 174 N -0.83 3.98 0.55 1.61 2.20 -1.26 -5.02 119.74 120.98 1lyx s LYS 174 Ca 0.00 -2.85 -0.19 0.00 -0.36 0.00 0.00 55.97 52.57 1lyx s LYS 174 Cb 0.00 -4.60 -0.05 0.00 -1.51 0.00 0.00 37.83 31.67 1lyx s LYS 174 CO 0.00 -1.34 1.15 0.99 -0.36 0.00 0.00 175.35 175.78 1lyx s THR 175 N -0.31 3.05 0.43 3.43 2.01 -1.26 -4.29 115.64 118.70 1lyx s THR 175 Ca 0.28 0.65 -0.23 0.00 0.31 0.00 0.00 61.69 62.70 1lyx s THR 175 Cb -0.09 -3.26 -0.08 0.00 0.01 0.00 0.00 72.50 69.08 1lyx s THR 175 CO -0.08 -0.14 1.10 0.00 -0.69 0.00 0.00 174.62 174.81 1lyx s ALA 176 N -1.73 3.02 0.64 7.40 0.00 -1.26 -5.00 121.76 124.83 1lyx s ALA 176 Ca 0.74 0.79 -0.13 0.00 0.00 0.00 0.00 51.96 53.35 1lyx s ALA 176 Cb -0.25 -3.32 -0.02 0.00 0.00 0.00 0.00 23.12 19.53 1lyx s ALA 176 CO 0.28 -0.40 1.05 0.95 0.00 0.00 0.00 175.76 177.65 1lyx s THR 177 N -1.64 3.96 0.29 0.00 -4.23 -1.26 -4.81 115.64 107.95 1lyx s THR 177 Ca 0.61 0.78 0.03 0.00 -1.18 0.00 0.00 61.69 61.93 1lyx s THR 177 Cb -0.24 -3.41 0.28 0.00 1.34 0.00 0.00 72.50 70.46 1lyx s THR 177 CO 0.30 -0.69 1.75 -0.65 -0.54 0.00 0.00 174.62 174.79 1lyx h PRO 178 N -0.10 0.61 -0.15 3.99 0.11 -1.94 -1.63 132.00 132.88 1lyx h PRO 178 Ca -0.45 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 1lyx h PRO 178 Cb 1.21 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 1lyx h PRO 178 CO 0.57 0.40 0.08 0.93 -0.21 0.00 0.00 178.00 179.78 1lyx h GLU 179 N 0.63 0.20 0.24 1.05 3.07 -1.96 -0.45 114.58 117.36 1lyx h GLU 179 Ca 0.54 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 59.38 1lyx h GLU 179 Cb 0.87 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.73 1lyx h GLU 179 CO -0.41 0.20 -0.20 1.96 -1.40 0.00 0.00 179.01 179.16 1lyx h GLN 180 N 0.15 -0.44 -0.18 2.33 4.20 -1.69 -2.21 115.11 117.28 1lyx h GLN 180 Ca 0.05 0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.80 1lyx h GLN 180 Cb 0.06 0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 1lyx h GLN 180 CO -0.01 -0.29 0.09 0.00 -0.67 0.00 0.00 178.83 177.95 1lyx h ALA 181 N 0.26 0.21 -0.52 3.87 0.00 -1.31 -2.83 119.26 118.93 1lyx h ALA 181 Ca -0.01 0.00 0.09 0.00 0.00 0.00 0.00 54.91 54.99 1lyx h ALA 181 Cb 0.41 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.09 1lyx h ALA 181 CO -0.02 -0.33 0.12 0.37 0.00 0.00 0.00 179.25 179.38 1lyx h GLN 182 N 0.20 0.25 -0.12 0.00 5.75 -1.00 0.14 115.11 120.32 1lyx h GLN 182 Ca 0.07 -0.01 0.04 0.00 -0.15 0.00 0.00 58.65 58.60 1lyx h GLN 182 Cb 0.01 -0.06 -0.05 0.00 1.07 0.00 0.00 27.48 28.45 1lyx h GLN 182 CO -0.04 0.16 -0.17 -0.07 -2.65 0.00 0.00 178.83 176.06 1lyx h LEU 183 N 0.26 -0.52 -0.34 -2.39 3.38 -1.18 -0.44 115.31 114.07 1lyx h LEU 183 Ca 0.27 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.32 1lyx h LEU 183 Cb 0.36 0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 1lyx h LEU 183 CO -0.34 -0.22 0.18 0.58 0.09 0.00 0.00 178.44 178.73 1lyx h VAL 184 N -0.21 1.15 -0.73 1.22 2.07 -1.20 -2.38 116.25 116.17 1lyx h VAL 184 Ca 0.09 -0.40 0.01 0.00 0.82 0.00 0.00 66.70 67.22 1lyx h VAL 184 Cb 0.35 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 30.88 1lyx h VAL 184 CO -0.25 0.15 0.48 0.45 0.02 0.00 0.00 177.57 178.42 1lyx h HIS 185 N 0.42 0.92 -0.58 1.57 3.86 -0.63 -0.82 115.15 119.88 1lyx h HIS 185 Ca 0.12 0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 59.30 1lyx h HIS 185 Cb 0.08 -0.31 -0.02 0.00 1.06 0.00 0.00 27.41 28.22 1lyx h HIS 185 CO -0.02 0.58 0.16 -0.22 0.86 0.00 0.00 177.93 179.29 1lyx h LYS 186 N 0.99 0.91 -0.37 2.45 3.64 -0.84 -1.87 116.57 121.49 1lyx h LYS 186 Ca 0.27 -0.21 -0.11 0.00 -1.27 0.00 0.00 60.65 59.33 1lyx h LYS 186 Cb -0.11 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.57 1lyx h LYS 186 CO -0.06 0.84 -0.22 1.49 -2.27 0.00 0.00 179.45 179.23 1lyx h GLU 187 N 0.83 0.72 -0.27 1.90 4.57 -0.88 -2.21 114.58 119.24 1lyx h GLU 187 Ca 0.18 -0.28 -0.02 0.00 -1.18 0.00 0.00 59.36 58.06 1lyx h GLU 187 Cb 0.32 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.86 1lyx h GLU 187 CO -0.00 0.88 0.09 0.82 -1.18 0.00 0.00 179.01 179.62 1lyx h ILE 188 N 0.63 1.19 -0.11 2.32 2.04 -0.90 -1.90 117.51 120.77 1lyx h ILE 188 Ca 0.09 -0.58 -0.05 0.00 1.00 0.00 0.00 64.86 65.32 1lyx h ILE 188 Cb 0.71 1.07 -0.01 0.00 -0.74 0.00 0.00 36.82 37.86 1lyx h ILE 188 CO 0.05 0.19 -0.17 -0.09 0.00 0.00 0.00 178.15 178.14 1lyx h ARG 189 N 0.27 0.18 -0.27 2.37 2.43 -1.25 -1.98 114.38 116.13 1lyx h ARG 189 Ca 0.09 -0.04 -0.13 0.00 -0.81 0.00 0.00 59.98 59.08 1lyx h ARG 189 Cb 0.21 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 1lyx h ARG 189 CO -0.00 0.35 -0.37 -0.22 -1.51 0.00 0.00 179.97 178.21 1lyx h LYS 190 N 0.17 0.61 -0.48 0.20 3.64 -1.09 0.80 116.57 120.41 1lyx h LYS 190 Ca 0.03 -0.30 -0.02 0.00 -1.27 0.00 0.00 60.65 59.09 1lyx h LYS 190 Cb 0.40 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.20 1lyx h LYS 190 CO 0.03 0.89 0.21 0.82 -2.27 0.00 0.00 179.45 179.12 1lyx h ILE 191 N 0.51 1.20 -0.32 2.00 2.04 -0.65 -0.44 117.51 121.85 1lyx h ILE 191 Ca 0.05 -0.60 -0.05 0.00 1.00 0.00 0.00 64.86 65.26 1lyx h ILE 191 Cb 0.87 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 1lyx h ILE 191 CO 0.08 0.23 -0.00 0.58 0.00 0.00 0.00 178.15 179.03 1lyx h VAL 192 N 0.64 1.26 0.01 1.67 2.07 -1.17 -1.36 116.25 119.37 1lyx h VAL 192 Ca 0.16 -0.96 0.03 0.00 0.82 0.00 0.00 66.70 66.75 1lyx h VAL 192 Cb 0.16 1.25 -0.04 0.00 -1.52 0.00 0.00 31.29 31.15 1lyx h VAL 192 CO -0.02 0.31 -0.21 0.50 0.02 0.00 0.00 177.57 178.17 1lyx h LYS 193 N 0.36 -0.33 0.00 1.57 3.64 -0.63 0.62 116.57 121.81 1lyx h LYS 193 Ca 0.09 0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.43 1lyx h LYS 193 Cb 0.45 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 1lyx h LYS 193 CO 0.02 -0.22 -0.31 -0.44 -2.27 0.00 0.00 179.45 176.23 1lyx h ASP 194 N -0.35 0.00 0.02 4.20 3.32 -1.03 0.64 116.42 123.23 1lyx h ASP 194 Ca 0.06 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 56.85 1lyx h ASP 194 Cb 0.42 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.92 1lyx h ASP 194 CO -0.19 0.31 -2.24 0.35 -1.72 0.00 0.00 179.24 175.75 1lyx n THR 195 N -3.71 0.97 -0.03 0.35 -2.24 -0.52 -4.73 114.28 104.38 1lyx n THR 195 Ca -0.01 -0.75 -0.03 0.00 -2.27 0.00 0.00 64.05 60.99 1lyx n THR 195 Cb 0.41 -0.34 -0.04 0.00 -2.10 0.00 0.00 70.33 68.27 1lyx n THR 195 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1lyx n GLY 197 N 2.87 4.27 0.22 0.00 0.00 0.22 -4.84 105.19 107.93 1lyx n GLY 197 Ca -0.09 -1.48 -0.12 0.00 0.00 0.00 0.00 46.02 44.32 1lyx n GLY 197 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1lyx h GLU 198 N 0.00 0.71 -0.36 1.61 4.81 -1.88 -1.57 114.58 117.90 1lyx h GLU 198 Ca 0.00 -0.33 0.02 0.00 -0.13 0.00 0.00 59.36 58.92 1lyx h GLU 198 Cb 0.00 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.34 1lyx h GLU 198 CO 0.00 0.93 0.20 0.87 -0.73 0.00 0.00 179.01 180.28 1lyx h LYS 199 N 0.48 0.40 -0.08 1.92 6.56 -1.94 -0.87 116.57 123.03 1lyx h LYS 199 Ca 0.07 -0.02 0.01 0.00 -1.06 0.00 0.00 60.65 59.64 1lyx h LYS 199 Cb 0.74 -0.09 -0.01 0.00 -0.57 0.00 0.00 32.23 32.31 1lyx h LYS 199 CO 0.06 0.26 0.03 1.96 -2.06 0.00 0.00 179.45 179.70 1lyx h GLN 200 N 0.41 0.08 -0.89 3.15 7.50 -1.87 -2.68 115.11 120.80 1lyx h GLN 200 Ca 0.15 -0.00 0.07 0.00 0.50 0.00 0.00 58.65 59.36 1lyx h GLN 200 Cb 0.03 -0.02 -0.06 0.00 0.05 0.00 0.00 27.48 27.48 1lyx h GLN 200 CO -0.08 0.05 0.58 0.00 -1.50 0.00 0.00 178.83 177.88 1lyx h ALA 201 N 1.04 1.53 0.00 3.87 0.00 -0.91 -1.87 119.26 122.92 1lyx h ALA 201 Ca 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1lyx h ALA 201 Cb 0.01 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.54 1lyx h ALA 201 CO -0.03 0.33 0.00 0.09 0.00 0.00 0.00 179.25 179.65 1lyx n ASN 202 N -4.49 0.75 -0.01 0.00 3.02 -0.37 -3.58 115.26 110.58 1lyx n ASN 202 Ca 0.14 0.61 0.10 0.00 -0.03 0.00 0.00 54.58 55.39 1lyx n ASN 202 Cb 0.21 -0.80 -0.15 0.00 -0.61 0.00 0.00 39.78 38.44 1lyx n ASN 202 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1lyx n GLN 203 N -2.24 0.59 -2.68 3.52 10.64 -0.75 -4.74 117.38 121.71 1lyx n GLN 203 Ca 0.04 -0.14 -0.41 0.00 -1.83 0.00 0.00 57.00 54.67 1lyx n GLN 203 Cb 0.35 -1.47 -0.04 0.00 -0.86 0.00 0.00 30.24 28.22 1lyx n GLN 203 CO 0.00 0.00 0.00 -1.50 -1.83 0.00 0.00 177.06 173.73 1lyx s ILE 204 N -3.27 4.30 0.04 -0.39 2.07 -0.94 -4.74 121.20 118.27 1lyx s ILE 204 Ca -0.04 1.97 -0.25 0.00 -1.41 0.00 0.00 60.65 60.93 1lyx s ILE 204 Cb 0.13 -4.26 -0.05 0.00 0.13 0.00 0.00 42.46 38.41 1lyx s ILE 204 CO 0.83 0.33 0.76 -0.13 -1.91 0.00 0.00 174.94 174.82 1lyx s ARG 205 N -0.23 4.49 -0.23 3.50 3.00 -1.26 -5.01 118.95 123.21 1lyx s ARG 205 Ca 0.47 1.05 0.01 0.00 0.00 0.00 0.00 55.73 57.26 1lyx s ARG 205 Cb -0.25 -3.37 0.05 0.00 0.00 0.00 0.00 34.95 31.39 1lyx s ARG 205 CO 0.31 0.27 -0.08 0.42 0.00 0.00 0.00 175.30 176.22 1lyx s ILE 206 N 0.00 1.73 0.27 1.52 1.01 -1.26 -1.31 121.20 123.15 1lyx s ILE 206 Ca 0.38 -1.26 0.06 0.00 0.00 0.00 0.00 60.65 59.83 1lyx s ILE 206 Cb -0.20 -1.89 -0.03 0.00 0.01 0.00 0.00 42.46 40.35 1lyx s ILE 206 CO 0.22 0.01 0.36 -0.76 0.00 0.00 0.00 174.94 174.77 1lyx s LEU 207 N 1.32 4.15 -0.07 2.97 1.43 0.68 -1.03 118.68 128.13 1lyx s LEU 207 Ca -0.05 -0.05 0.01 0.00 -1.03 0.00 0.00 54.13 53.00 1lyx s LEU 207 Cb -0.18 -2.75 -0.03 0.00 0.03 0.00 0.00 46.19 43.26 1lyx s LEU 207 CO -0.07 -0.16 -0.07 -0.47 0.23 0.00 0.00 176.35 175.81 1lyx s TYR 208 N -2.06 2.95 -0.01 0.29 5.04 -0.68 -0.72 117.35 122.16 1lyx s TYR 208 Ca 0.37 0.02 0.02 0.00 -2.44 0.00 0.00 57.07 55.04 1lyx s TYR 208 Cb -0.09 -1.72 -0.00 0.00 0.35 0.00 0.00 41.96 40.50 1lyx s TYR 208 CO 0.29 0.33 -0.06 0.20 -1.34 0.00 0.00 175.55 174.96 1lyx s GLY 209 N -0.78 0.32 0.00 8.97 0.00 -0.52 -2.15 107.32 113.16 1lyx s GLY 209 Ca 0.12 -0.26 0.00 0.00 0.00 0.00 0.00 44.72 44.58 1lyx s GLY 209 CO 0.01 -0.20 0.00 0.61 0.00 0.00 0.00 173.10 173.53 1lyx n GLY 210 N 2.97 1.26 3.58 0.20 0.00 -1.26 -3.97 105.19 107.97 1lyx n GLY 210 Ca -0.14 -0.11 -0.24 0.00 0.00 0.00 0.00 46.02 45.53 1lyx n GLY 210 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1lyx n SER 211 N 0.00 -6.26 -4.73 1.61 7.64 -0.81 -4.46 113.62 106.60 1lyx n SER 211 Ca 0.00 -0.54 -0.41 0.00 1.01 0.00 0.00 58.87 58.93 1lyx n SER 211 Cb 0.00 -4.94 -0.04 0.00 -1.01 0.00 0.00 64.21 58.22 1lyx n SER 211 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1lyx s VAL 212 N -3.31 4.29 0.28 0.44 1.01 -1.26 -4.66 120.40 117.19 1lyx s VAL 212 Ca 0.57 1.94 0.06 0.00 0.00 0.00 0.00 61.98 64.56 1lyx s VAL 212 Cb -0.26 -4.24 -0.02 0.00 0.00 0.00 0.00 36.38 31.86 1lyx s VAL 212 CO 0.71 0.32 0.23 -0.46 0.00 0.00 0.00 175.10 175.90 1lyx n ASN 213 N 2.61 -0.59 0.29 3.32 0.23 -1.26 -4.58 115.26 115.28 1lyx n ASN 213 Ca 0.02 -2.82 0.17 0.00 -0.53 0.00 0.00 54.58 51.42 1lyx n ASN 213 Cb 0.48 1.39 0.86 0.00 -2.08 0.00 0.00 39.78 40.43 1lyx n ASN 213 CO 0.00 0.00 0.00 0.71 -0.93 0.00 0.00 177.26 177.04 1lyx h THR 214 N 1.89 0.29 0.09 5.53 1.35 -1.95 -2.13 112.91 117.97 1lyx h THR 214 Ca -0.19 -0.36 -0.31 0.00 -0.55 0.00 0.00 66.41 64.99 1lyx h THR 214 Cb 0.99 1.27 -0.02 0.00 -1.73 0.00 0.00 68.15 68.67 1lyx h THR 214 CO 0.28 0.06 -1.67 -0.33 -0.25 0.00 0.00 175.52 173.60 1lyx h GLU 215 N 0.00 0.18 0.00 4.72 4.39 -1.99 -3.40 114.58 118.48 1lyx h GLU 215 Ca -0.00 -0.31 0.00 0.00 0.34 0.00 0.00 59.36 59.39 1lyx h GLU 215 Cb 0.27 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 1lyx h GLU 215 CO 0.01 0.98 -1.20 0.27 -1.16 0.00 0.00 179.01 177.90 1lyx n ASN 216 N -3.35 0.77 -0.37 1.42 0.23 -1.19 -4.59 115.26 108.18 1lyx n ASN 216 Ca -0.20 -0.73 0.02 0.00 -0.53 0.00 0.00 54.58 53.14 1lyx n ASN 216 Cb 1.04 1.24 0.17 0.00 -2.08 0.00 0.00 39.78 40.15 1lyx n ASN 216 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1lyx h SER 218 N 1.18 -0.24 -0.09 0.00 0.87 -1.84 -1.73 113.55 111.70 1lyx h SER 218 Ca 0.42 0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.98 1lyx h SER 218 Cb 0.14 0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.16 1lyx h SER 218 CO -0.16 -0.14 -0.01 0.28 -0.53 0.00 0.00 176.83 176.26 1lyx h SER 219 N -0.21 0.25 -0.02 6.23 0.02 -1.84 -2.74 113.55 115.24 1lyx h SER 219 Ca 0.00 -0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 60.90 1lyx h SER 219 Cb 0.20 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.67 1lyx h SER 219 CO -0.02 0.31 -0.05 -0.07 -1.14 0.00 0.00 176.83 175.86 1lyx h LEU 220 N 0.27 0.08 -2.19 5.07 3.38 -1.28 -3.22 115.31 117.41 1lyx h LEU 220 Ca 0.06 -0.61 -0.01 0.00 0.09 0.00 0.00 57.88 57.42 1lyx h LEU 220 Cb 0.20 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 1lyx h LEU 220 CO 0.01 0.68 -0.03 -0.29 0.09 0.00 0.00 178.44 178.90 1lyx h ILE 221 N -0.51 0.13 0.00 1.22 6.09 -1.26 -2.26 117.51 120.92 1lyx h ILE 221 Ca -0.00 -0.31 -0.05 0.00 -1.37 0.00 0.00 64.86 63.13 1lyx h ILE 221 Cb 0.67 1.27 -0.01 0.00 0.47 0.00 0.00 36.82 39.22 1lyx h ILE 221 CO 0.01 0.03 -0.24 -0.61 -3.07 0.00 0.00 178.15 174.26 1lyx h GLN 222 N 0.00 0.00 -6.86 2.19 4.15 -1.50 -3.45 115.11 109.64 1lyx h GLN 222 Ca -0.00 0.00 -0.53 0.00 0.77 0.00 0.00 58.65 58.89 1lyx h GLN 222 Cb 0.26 0.00 0.09 0.00 0.21 0.00 0.00 27.48 28.05 1lyx h GLN 222 CO 0.00 0.24 0.83 -0.65 -1.93 0.00 0.00 178.83 177.33 1lyx s GLN 223 N -3.87 4.13 0.41 1.69 -1.52 -0.85 -4.90 119.66 114.75 1lyx s GLN 223 Ca -0.01 2.56 0.18 0.00 -1.95 0.00 0.00 55.36 56.14 1lyx s GLN 223 Cb 0.12 -3.00 1.10 0.00 -0.22 0.00 0.00 33.01 31.00 1lyx s GLN 223 CO 0.64 -0.57 1.82 1.49 -0.25 0.00 0.00 175.29 178.42 1lyx h GLU 224 N 4.01 0.39 -0.40 2.91 4.81 -1.89 -2.65 114.58 121.75 1lyx h GLU 224 Ca -0.49 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 1lyx h GLU 224 Cb 1.23 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.52 1lyx h GLU 224 CO 0.72 0.26 0.00 -0.25 -0.73 0.00 0.00 179.01 179.01 1lyx n ASP 225 N -4.55 3.09 -4.49 1.04 8.00 -1.26 -4.89 116.55 113.50 1lyx n ASP 225 Ca 0.22 -1.96 -0.40 0.00 0.71 0.00 0.00 54.79 53.36 1lyx n ASP 225 Cb 0.78 -0.27 -0.11 0.00 -0.02 0.00 0.00 41.12 41.50 1lyx n ASP 225 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1lyx s ILE 226 N -1.02 5.01 -1.73 0.53 1.01 -1.00 -4.64 121.20 119.35 1lyx s ILE 226 Ca 0.28 -0.30 0.21 0.00 0.00 0.00 0.00 60.65 60.84 1lyx s ILE 226 Cb 0.15 -3.56 0.64 0.00 0.01 0.00 0.00 42.46 39.69 1lyx s ILE 226 CO 0.20 0.02 1.53 0.47 0.00 0.00 0.00 174.94 177.16 1lyx n ASP 227 N 5.05 4.03 0.00 3.58 10.43 -0.20 -4.74 116.55 134.71 1lyx n ASP 227 Ca -0.13 -2.08 0.00 0.00 2.57 0.00 0.00 54.79 55.15 1lyx n ASP 227 Cb 0.49 -0.49 0.00 0.00 1.84 0.00 0.00 41.12 42.97 1lyx n ASP 227 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1lyx n GLY 228 N 1.46 0.35 3.31 0.44 0.00 -1.26 -1.55 105.19 107.95 1lyx n GLY 228 Ca 0.24 -1.62 -0.09 0.00 0.00 0.00 0.00 46.02 44.54 1lyx n GLY 228 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1lyx s PHE 229 N -2.82 0.33 -0.31 1.61 0.40 -0.69 -1.69 117.98 114.80 1lyx s PHE 229 Ca 0.00 -0.71 -0.04 0.00 -0.60 0.00 0.00 56.93 55.58 1lyx s PHE 229 Cb 0.00 -0.05 0.04 0.00 0.51 0.00 0.00 43.02 43.53 1lyx s PHE 229 CO 0.00 -0.69 0.05 -1.17 0.70 0.00 0.00 175.22 174.11 1lyx s LEU 230 N -2.94 4.04 -0.19 -0.37 2.96 -0.91 -0.81 118.68 120.46 1lyx s LEU 230 Ca 0.14 -1.16 -0.06 0.00 -0.22 0.00 0.00 54.13 52.84 1lyx s LEU 230 Cb 0.04 -1.79 -0.03 0.00 0.50 0.00 0.00 46.19 44.90 1lyx s LEU 230 CO -0.02 -0.28 0.03 -0.69 -1.32 0.00 0.00 176.35 174.07 1lyx s VAL 231 N 1.34 4.38 0.00 1.68 1.01 0.62 -4.13 120.40 125.30 1lyx s VAL 231 Ca -0.03 -0.17 0.00 0.00 0.00 0.00 0.00 61.98 61.78 1lyx s VAL 231 Cb -0.19 -2.97 0.00 0.00 0.00 0.00 0.00 36.38 33.21 1lyx s VAL 231 CO 0.01 0.45 0.00 0.61 0.00 0.00 0.00 175.10 176.16 1lyx n GLY 232 N 3.82 0.52 0.39 4.51 0.00 -1.26 -0.89 105.19 112.28 1lyx n GLY 232 Ca -0.17 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.03 1lyx n GLY 232 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1lyx h ASN 233 N 0.00 0.49 0.72 1.61 4.21 -1.93 0.46 115.58 121.15 1lyx h ASN 233 Ca 0.00 0.05 0.00 0.00 1.21 0.00 0.00 56.30 57.56 1lyx h ASN 233 Cb 0.00 -0.04 0.00 0.00 -1.12 0.00 0.00 38.32 37.16 1lyx h ASN 233 CO 0.00 0.20 0.00 0.00 -1.29 0.00 0.00 177.43 176.34 1lyx h ALA 234 N 1.61 1.00 -0.00 -0.83 0.00 -1.88 -2.50 119.26 116.66 1lyx h ALA 234 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.39 1lyx h ALA 234 Cb 1.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1lyx h ALA 234 CO -0.21 0.00 -0.09 -1.13 0.00 0.00 0.00 179.25 177.82 1lyx n SER 235 N -2.62 0.36 -0.78 0.00 3.41 0.15 -3.24 113.62 110.90 1lyx n SER 235 Ca 0.01 -0.46 0.10 0.00 -0.26 0.00 0.00 58.87 58.26 1lyx n SER 235 Cb 0.23 -0.12 0.29 0.00 -0.26 0.00 0.00 64.21 64.35 1lyx n SER 235 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1lyx n LEU 236 N -1.05 2.32 -4.50 1.04 7.99 -0.94 -4.89 117.00 116.97 1lyx n LEU 236 Ca 0.14 -1.03 -0.29 0.00 -0.01 0.00 0.00 56.01 54.82 1lyx n LEU 236 Cb 0.27 -0.19 -0.11 0.00 -0.11 0.00 0.00 43.42 43.28 1lyx n LEU 236 CO 0.24 0.51 -0.48 -0.54 -1.51 0.00 0.00 177.39 175.61 1lyx s LYS 237 N -1.62 1.83 0.53 3.23 1.02 -1.20 -5.02 119.74 118.50 1lyx s LYS 237 Ca 0.34 -1.17 0.24 0.00 0.02 0.00 0.00 55.97 55.39 1lyx s LYS 237 Cb 0.18 -2.13 1.47 0.00 -0.52 0.00 0.00 37.83 36.83 1lyx s LYS 237 CO 0.26 0.48 2.13 0.93 -0.92 0.00 0.00 175.35 178.24 1lyx h GLU 238 N 3.67 0.00 0.00 1.68 5.08 -1.90 -1.26 114.58 121.85 1lyx h GLU 238 Ca -0.50 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 1lyx h GLU 238 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1lyx h GLU 238 CO 0.47 0.07 0.00 -1.13 -1.00 0.00 0.00 179.01 177.42 1lyx n SER 239 N -3.98 0.00 -0.05 1.42 3.41 -1.26 -2.95 113.62 110.21 1lyx n SER 239 Ca -0.03 0.20 0.23 0.00 -0.26 0.00 0.00 58.87 59.02 1lyx n SER 239 Cb 0.16 -0.34 0.71 0.00 -0.26 0.00 0.00 64.21 64.49 1lyx n SER 239 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1lyx h PHE 240 N 0.00 0.00 -0.45 7.33 3.57 -1.38 -0.25 116.94 125.76 1lyx h PHE 240 Ca 0.00 0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.59 1lyx h PHE 240 Cb 0.14 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.86 1lyx h PHE 240 CO 0.00 0.00 0.31 -0.39 -2.23 0.00 0.00 178.31 176.00 1lyx h VAL 241 N 0.00 0.87 0.00 1.41 -1.51 -1.79 -0.55 116.25 114.69 1lyx h VAL 241 Ca 0.31 -0.07 -0.09 0.00 -1.23 0.00 0.00 66.70 65.62 1lyx h VAL 241 Cb 1.28 0.66 -0.01 0.00 -2.13 0.00 0.00 31.29 31.09 1lyx h VAL 241 CO -0.00 0.03 -0.41 0.44 -1.23 0.00 0.00 177.57 176.40 1lyx h ASP 242 N 0.19 0.00 -0.40 4.19 3.32 -1.32 -1.02 116.42 121.38 1lyx h ASP 242 Ca 0.21 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.11 1lyx h ASP 242 Cb 0.57 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.11 1lyx h ASP 242 CO -0.03 0.41 -0.32 0.40 -1.72 0.00 0.00 179.24 177.98 1lyx h ILE 243 N 0.00 1.27 -0.72 0.35 2.04 -1.22 -2.40 117.51 116.84 1lyx h ILE 243 Ca -0.00 -1.49 -0.05 0.00 1.00 0.00 0.00 64.86 64.32 1lyx h ILE 243 Cb 0.73 1.28 -0.03 0.00 -0.74 0.00 0.00 36.82 38.07 1lyx h ILE 243 CO 0.05 0.50 0.26 0.40 0.00 0.00 0.00 178.15 179.37 1lyx h ILE 244 N 0.79 1.25 -0.60 -0.67 2.04 -1.18 -2.63 117.51 116.51 1lyx h ILE 244 Ca 0.08 -0.83 0.03 0.00 1.00 0.00 0.00 64.86 65.14 1lyx h ILE 244 Cb 0.90 0.45 -0.03 0.00 -0.74 0.00 0.00 36.82 37.40 1lyx h ILE 244 CO 0.08 0.33 0.40 0.11 0.00 0.00 0.00 178.15 179.07 1lyx h LYS 245 N 1.04 0.70 0.00 2.37 1.57 -0.91 -1.64 116.57 119.70 1lyx h LYS 245 Ca 0.24 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 1lyx h LYS 245 Cb 0.25 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1lyx h LYS 245 CO -0.01 0.46 0.00 0.66 -0.57 0.00 0.00 179.45 179.99 1lyx h SER 246 N 0.72 0.00 -0.10 0.86 4.64 -1.04 -1.86 113.55 116.77 1lyx h SER 246 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 1lyx h SER 246 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1lyx h SER 246 CO -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.90 1lyx n ALA 247 N -2.04 2.45 0.48 5.18 0.00 -0.62 -4.92 120.51 121.04 1lyx n ALA 247 Ca -0.02 -0.75 0.06 0.00 0.00 0.00 0.00 53.44 52.73 1lyx n ALA 247 Cb 0.12 -0.83 0.05 0.00 0.00 0.00 0.00 19.45 18.79 1lyx n ALA 247 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50