#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aby n GLN 2 N 0.00 -1.42 0.00 3.17 1.13 -1.26 -5.05 117.38 113.95 2aby n GLN 2 Ca 0.00 -0.48 0.00 0.00 -1.94 0.00 0.00 57.00 54.58 2aby n GLN 2 Cb 0.00 -0.43 0.00 0.00 0.11 0.00 0.00 30.24 29.92 2aby n GLN 2 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2aby n LYS 3 N -2.32 0.00 -1.56 -1.09 5.02 -1.26 -4.93 118.16 112.02 2aby n LYS 3 Ca 0.04 0.14 -0.19 0.00 -2.02 0.00 0.00 58.31 56.28 2aby n LYS 3 Cb 0.16 -0.53 -0.08 0.00 -0.02 0.00 0.00 35.03 34.56 2aby n LYS 3 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2aby n GLY 4 N 2.11 1.80 3.48 0.72 0.00 -1.26 -4.95 105.19 107.09 2aby n GLY 4 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 2aby n GLY 4 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2aby s LEU 5 N -4.52 2.62 -0.18 0.99 2.01 -1.26 -3.08 118.68 115.26 2aby s LEU 5 Ca 0.00 -0.96 -0.01 0.00 0.01 0.00 0.00 54.13 53.17 2aby s LEU 5 Cb 0.00 -1.17 0.00 0.00 0.01 0.00 0.00 46.19 45.03 2aby s LEU 5 CO 0.00 0.05 -0.13 -1.61 1.01 0.00 0.00 176.35 175.67 2aby s GLU 6 N -3.38 3.23 0.04 1.70 2.02 -1.26 -2.59 118.70 118.46 2aby s GLU 6 Ca 0.29 -0.72 0.04 0.00 0.02 0.00 0.00 54.97 54.59 2aby s GLU 6 Cb -0.06 -2.74 -0.02 0.00 0.10 0.00 0.00 34.13 31.42 2aby s GLU 6 CO 0.15 -0.09 -0.11 0.96 0.02 0.00 0.00 175.26 176.19 2aby s ILE 7 N 1.09 0.87 0.04 -1.63 -0.00 0.11 -4.98 121.20 116.70 2aby s ILE 7 Ca 0.00 -0.94 0.08 0.00 -0.00 0.00 0.00 60.65 59.79 2aby s ILE 7 Cb -0.14 -0.82 -0.03 0.00 -0.00 0.00 0.00 42.46 41.47 2aby s ILE 7 CO -0.04 -0.10 -0.24 0.00 -0.00 0.00 0.00 174.94 174.56 2aby s ALA 8 N -0.92 2.06 -0.02 2.27 0.00 -1.26 -1.16 121.76 122.72 2aby s ALA 8 Ca -0.02 -1.17 0.03 0.00 0.00 0.00 0.00 51.96 50.80 2aby s ALA 8 Cb -0.08 -0.44 -0.00 0.00 0.00 0.00 0.00 23.12 22.60 2aby s ALA 8 CO 0.01 0.48 -0.11 0.12 0.00 0.00 0.00 175.76 176.27 2aby s PHE 9 N -0.77 1.05 0.25 0.00 5.36 -0.53 -4.61 117.98 118.72 2aby s PHE 9 Ca 0.10 -0.24 0.06 0.00 -0.96 0.00 0.00 56.93 55.89 2aby s PHE 9 Cb -0.09 -0.71 -0.03 0.00 -0.34 0.00 0.00 43.02 41.84 2aby s PHE 9 CO 0.02 -0.08 0.25 1.14 -1.46 0.00 0.00 175.22 175.09 2aby s GLN 10 N 0.02 3.07 -0.22 10.12 -2.07 -1.26 -0.37 119.66 128.94 2aby s GLN 10 Ca -0.01 -0.97 -0.24 0.00 -1.82 0.00 0.00 55.36 52.32 2aby s GLN 10 Cb -0.07 -2.66 0.07 0.00 -1.09 0.00 0.00 33.01 29.25 2aby s GLN 10 CO 0.00 0.40 0.67 -0.08 -1.32 0.00 0.00 175.29 174.96 2aby s THR 11 N -2.09 0.00 0.06 3.63 -1.32 0.89 -4.85 115.64 111.96 2aby s THR 11 Ca 0.33 -0.01 0.00 0.00 -1.21 0.00 0.00 61.69 60.81 2aby s THR 11 Cb -0.08 -0.94 0.00 0.00 -1.51 0.00 0.00 72.50 69.97 2aby s THR 11 CO 0.26 -0.00 0.00 -0.38 -2.21 0.00 0.00 174.62 172.29 2aby n ILE 12 N 2.45 0.00 -1.37 5.08 -0.00 -1.26 -0.55 119.36 123.71 2aby n ILE 12 Ca -0.15 0.00 -0.36 0.00 -0.00 0.00 0.00 62.75 62.25 2aby n ILE 12 Cb 0.56 -0.11 0.08 0.00 -0.00 0.00 0.00 39.64 40.17 2aby n ILE 12 CO 0.00 0.00 0.00 -3.20 -0.00 0.00 0.00 176.55 173.35 2aby n ASN 13 N -2.71 0.39 0.25 4.38 5.15 -1.26 -4.77 115.26 116.69 2aby n ASN 13 Ca 0.00 0.67 0.17 0.00 -0.60 0.00 0.00 54.58 54.82 2aby n ASN 13 Cb 0.00 -1.39 0.88 0.00 -0.53 0.00 0.00 39.78 38.74 2aby n ASN 13 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 2aby h GLY 14 N -0.22 0.00 2.00 8.20 0.00 -2.00 -0.87 103.07 110.17 2aby h GLY 14 Ca -0.47 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 46.70 2aby h GLY 14 CO 0.47 0.00 -0.75 1.41 0.00 0.00 0.00 176.54 177.66 2aby h LEU 15 N 0.00 0.00 0.17 3.11 -0.00 -2.03 -3.25 115.31 113.31 2aby h LEU 15 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 57.88 57.57 2aby h LEU 15 Cb 0.04 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 40.71 2aby h LEU 15 CO 0.00 0.75 -1.44 -0.78 -0.00 0.00 0.00 178.44 176.98 2aby h ASP 16 N 0.00 0.57 -0.66 -0.43 1.82 -1.50 -3.34 116.42 112.89 2aby h ASP 16 Ca -0.01 -0.67 0.14 0.00 -0.39 0.00 0.00 57.03 56.10 2aby h ASP 16 Cb 1.37 -0.19 -0.10 0.00 0.68 0.00 0.00 39.33 41.10 2aby h ASP 16 CO 0.10 1.54 0.10 -0.08 -1.61 0.00 0.00 179.24 179.29 2aby h GLU 17 N 0.10 0.21 -0.74 0.28 4.81 -1.53 0.20 114.58 117.90 2aby h GLU 17 Ca -0.22 -0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.10 2aby h GLU 17 Cb 2.06 -0.05 -0.07 0.00 0.63 0.00 0.00 28.75 31.32 2aby h GLU 17 CO 0.22 0.14 0.38 0.77 -0.73 0.00 0.00 179.01 179.78 2aby h SER 18 N 0.21 0.50 -0.17 1.04 0.02 -1.67 -0.31 113.55 113.17 2aby h SER 18 Ca 0.36 0.06 -0.07 0.00 -0.84 0.00 0.00 61.79 61.30 2aby h SER 18 Cb 0.58 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 63.08 2aby h SER 18 CO -0.49 0.28 -0.10 0.25 -1.14 0.00 0.00 176.83 175.63 2aby h LEU 19 N 0.63 0.50 0.40 5.07 7.12 -1.14 0.11 115.31 128.01 2aby h LEU 19 Ca 0.37 -0.12 -0.02 0.00 0.13 0.00 0.00 57.88 58.24 2aby h LEU 19 Cb 0.39 -0.13 0.00 0.00 -0.53 0.00 0.00 40.66 40.40 2aby h LEU 19 CO -0.27 0.64 -0.19 0.58 -0.13 0.00 0.00 178.44 179.06 2aby h VAL 20 N 0.48 0.55 -0.04 1.05 2.07 0.00 0.22 116.25 120.59 2aby h VAL 20 Ca 0.09 -0.46 -0.07 0.00 0.82 0.00 0.00 66.70 67.08 2aby h VAL 20 Cb 0.46 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 2aby h VAL 20 CO 0.03 0.08 -0.31 1.56 0.02 0.00 0.00 177.57 178.94 2aby h GLN 21 N -0.83 0.07 0.07 1.57 4.20 -1.20 -1.27 115.11 117.73 2aby h GLN 21 Ca -0.06 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.63 2aby h GLN 21 Cb 0.54 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.32 2aby h GLN 21 CO 0.09 0.38 -0.03 0.00 -0.67 0.00 0.00 178.83 178.59 2aby h ALA 22 N 1.63 -0.10 -0.41 3.87 0.00 -0.72 -2.33 119.26 121.20 2aby h ALA 22 Ca 0.01 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 2aby h ALA 22 Cb 0.58 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 2aby h ALA 22 CO 0.04 -0.24 0.15 1.37 0.00 0.00 0.00 179.25 180.57 2aby h LEU 23 N -0.72 0.54 -0.44 0.00 8.10 -0.51 -1.27 115.31 121.02 2aby h LEU 23 Ca -0.01 -0.06 -0.09 0.00 0.11 0.00 0.00 57.88 57.83 2aby h LEU 23 Cb 0.58 -0.14 -0.01 0.00 -0.44 0.00 0.00 40.66 40.65 2aby h LEU 23 CO 0.02 0.50 -0.08 0.00 -4.11 0.00 0.00 178.44 174.77 2aby h ALA 24 N 1.58 0.60 -0.05 0.17 0.00 -1.27 -0.57 119.26 119.72 2aby h ALA 24 Ca 0.14 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 2aby h ALA 24 Cb 0.15 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 2aby h ALA 24 CO -0.01 0.47 -0.03 0.78 0.00 0.00 0.00 179.25 180.45 2aby h GLY 25 N 0.66 0.13 1.15 0.00 0.00 -1.00 -1.44 103.07 102.58 2aby h GLY 25 Ca 0.11 -0.12 -0.05 0.00 0.00 0.00 0.00 47.33 47.27 2aby h GLY 25 CO 0.04 0.11 0.23 -0.24 0.00 0.00 0.00 176.54 176.68 2aby h VAL 26 N -0.28 1.25 -0.09 4.60 3.04 -1.28 0.32 116.25 123.81 2aby h VAL 26 Ca 0.01 -0.85 -0.01 0.00 -1.01 0.00 0.00 66.70 64.84 2aby h VAL 26 Cb 0.49 0.46 -0.00 0.00 -2.01 0.00 0.00 31.29 30.23 2aby h VAL 26 CO 0.01 0.33 0.00 0.74 -1.01 0.00 0.00 177.57 177.65 2aby h THR 27 N 1.03 1.24 -0.01 3.17 2.02 -1.10 0.55 112.91 119.82 2aby h THR 27 Ca 0.23 -0.75 -0.12 0.00 0.77 0.00 0.00 66.41 66.54 2aby h THR 27 Cb 0.27 1.57 -0.02 0.00 -1.74 0.00 0.00 68.15 68.23 2aby h THR 27 CO -0.01 0.21 -0.55 0.00 0.37 0.00 0.00 175.52 175.54 2aby h ALA 28 N 0.75 1.09 -0.01 6.16 0.00 -1.14 0.38 119.26 126.48 2aby h ALA 28 Ca 0.03 -0.50 -0.18 0.00 0.00 0.00 0.00 54.91 54.26 2aby h ALA 28 Cb 0.33 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2aby h ALA 28 CO 0.00 0.68 -0.80 0.66 0.00 0.00 0.00 179.25 179.80 2aby h SER 29 N 0.01 0.17 0.12 0.00 4.64 -0.25 -3.31 113.55 114.94 2aby h SER 29 Ca -0.00 -0.13 -0.33 0.00 -0.47 0.00 0.00 61.79 60.86 2aby h SER 29 Cb 0.97 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 63.00 2aby h SER 29 CO 0.07 0.90 -1.73 0.44 -0.87 0.00 0.00 176.83 175.64 2aby h ASP 30 N 0.08 0.40 -7.03 4.97 3.32 -0.74 -3.43 116.42 113.99 2aby h ASP 30 Ca -0.03 -0.88 -0.41 0.00 0.02 0.00 0.00 57.03 55.73 2aby h ASP 30 Cb 1.39 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.80 2aby h ASP 30 CO 0.12 1.75 -0.71 2.22 -1.72 0.00 0.00 179.24 180.90 2aby n PHE 31 N -3.71 -0.99 0.09 4.55 -1.74 0.13 -4.81 117.46 110.98 2aby n PHE 31 Ca -0.29 0.08 -0.03 0.00 -0.56 0.00 0.00 57.45 56.65 2aby n PHE 31 Cb 0.98 -1.90 0.19 0.00 1.52 0.00 0.00 39.48 40.27 2aby n PHE 31 CO 0.00 0.00 0.00 -1.00 -0.56 0.00 0.00 176.76 175.20 2aby h PRO 32 N -0.80 0.25 0.00 3.97 0.13 -1.94 -2.94 132.00 130.68 2aby h PRO 32 Ca -0.49 -0.13 0.00 0.00 -0.87 0.00 0.00 66.00 64.50 2aby h PRO 32 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 2aby h PRO 32 CO 0.35 0.67 -0.50 -0.44 -0.23 0.00 0.00 178.00 177.84 2aby h ASP 33 N 0.21 0.00 -0.51 1.44 3.32 -1.95 -3.47 116.42 115.46 2aby h ASP 33 Ca 0.01 -0.03 -0.22 0.00 0.02 0.00 0.00 57.03 56.82 2aby h ASP 33 Cb 0.89 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.36 2aby h ASP 33 CO 0.07 0.01 -0.20 0.18 -1.72 0.00 0.00 179.24 177.59 2aby n LEU 34 N -2.74 -0.46 -2.80 1.55 4.77 -1.11 -4.82 117.00 111.39 2aby n LEU 34 Ca 0.02 0.26 -0.10 0.00 -0.03 0.00 0.00 56.01 56.16 2aby n LEU 34 Cb 0.52 -2.34 0.07 0.00 -2.33 0.00 0.00 43.42 39.35 2aby n LEU 34 CO 0.37 -0.87 0.25 -0.90 -1.33 0.00 0.00 177.39 174.91 2aby n ASP 35 N -0.80 -1.92 -4.49 -1.43 5.68 -1.26 -5.12 116.55 107.21 2aby n ASP 35 Ca -0.11 -3.59 -0.35 0.00 -0.50 0.00 0.00 54.79 50.24 2aby n ASP 35 Cb 0.51 1.57 -0.12 0.00 -1.14 0.00 0.00 41.12 41.94 2aby n ASP 35 CO 0.00 0.00 0.00 -0.51 -1.33 0.00 0.00 177.20 175.36 2aby s ILE 36 N -0.09 4.16 -0.37 2.12 -1.16 -1.26 -3.27 121.20 121.32 2aby s ILE 36 Ca 0.25 -0.25 0.03 0.00 -0.51 0.00 0.00 60.65 60.17 2aby s ILE 36 Cb 0.30 -2.88 0.10 0.00 0.61 0.00 0.00 42.46 40.59 2aby s ILE 36 CO -0.06 0.43 0.10 -0.54 -2.81 0.00 0.00 174.94 172.05 2aby s LYS 37 N 0.87 1.62 0.31 3.50 3.01 -0.40 -5.03 119.74 123.62 2aby s LYS 37 Ca 0.02 -1.93 0.10 0.00 -1.01 0.00 0.00 55.97 53.14 2aby s LYS 37 Cb -0.14 -3.29 -0.06 0.00 -1.01 0.00 0.00 37.83 33.33 2aby s LYS 37 CO 0.02 -0.98 -0.12 1.52 0.51 0.00 0.00 175.35 176.30 2aby s TYR 38 N 0.85 2.26 -0.12 3.18 1.13 -1.26 -0.16 117.35 123.22 2aby s TYR 38 Ca 0.11 -0.49 -0.29 0.00 -1.41 0.00 0.00 57.07 54.99 2aby s TYR 38 Cb -0.20 -1.19 0.08 0.00 -1.10 0.00 0.00 41.96 39.55 2aby s TYR 38 CO -0.07 0.56 0.74 0.54 -2.51 0.00 0.00 175.55 174.82 2aby s ASN 39 N -3.54 -0.64 -0.14 -0.18 2.20 -0.04 -4.98 114.94 107.63 2aby s ASN 39 Ca 0.31 0.85 0.02 0.00 -0.94 0.00 0.00 52.86 53.10 2aby s ASN 39 Cb 0.00 0.74 0.01 0.00 -2.00 0.00 0.00 41.25 40.00 2aby s ASN 39 CO 0.15 -0.48 -0.19 -0.63 -2.94 0.00 0.00 177.10 173.01 2aby s ILE 40 N -0.76 1.82 0.07 0.54 1.01 -1.26 -0.66 121.20 121.95 2aby s ILE 40 Ca -0.07 -0.82 0.06 0.00 0.00 0.00 0.00 60.65 59.82 2aby s ILE 40 Cb -0.01 -1.64 -0.03 0.00 0.01 0.00 0.00 42.46 40.79 2aby s ILE 40 CO 0.06 0.50 -0.16 0.72 0.00 0.00 0.00 174.94 176.07 2aby s PHE 41 N 1.01 1.36 -0.21 3.97 -0.12 -0.59 -1.95 117.98 121.45 2aby s PHE 41 Ca -0.04 -0.42 -0.07 0.00 -0.05 0.00 0.00 56.93 56.35 2aby s PHE 41 Cb -0.15 -0.77 -0.03 0.00 -0.63 0.00 0.00 43.02 41.44 2aby s PHE 41 CO -0.04 0.08 0.05 -1.17 -0.05 0.00 0.00 175.22 174.09 2aby s LEU 42 N -1.59 3.53 -0.09 -1.99 1.98 0.19 -1.61 118.68 119.10 2aby s LEU 42 Ca 0.01 -0.10 -0.03 0.00 -2.89 0.00 0.00 54.13 51.13 2aby s LEU 42 Cb -0.09 -1.91 -0.03 0.00 0.66 0.00 0.00 46.19 44.81 2aby s LEU 42 CO 0.02 0.07 0.02 0.68 -1.89 0.00 0.00 176.35 175.26 2aby s VAL 43 N 0.97 4.48 -0.26 1.68 -7.23 0.31 -1.12 120.40 119.23 2aby s VAL 43 Ca 0.03 -0.18 -0.02 0.00 -1.81 0.00 0.00 61.98 60.00 2aby s VAL 43 Cb -0.14 -2.90 0.08 0.00 0.56 0.00 0.00 36.38 33.98 2aby s VAL 43 CO 0.03 0.60 0.08 1.51 -0.31 0.00 0.00 175.10 177.01 2aby s ASP 44 N -0.86 3.52 0.07 4.85 -4.77 -1.26 0.04 116.67 118.26 2aby s ASP 44 Ca 0.13 -1.26 -0.17 0.00 -3.30 0.00 0.00 52.55 47.95 2aby s ASP 44 Cb -0.11 -0.68 0.03 0.00 -1.09 0.00 0.00 42.92 41.07 2aby s ASP 44 CO 0.02 -0.38 0.39 -0.22 0.70 0.00 0.00 175.17 175.69 2aby s LEU 45 N 1.79 0.48 -1.44 2.11 1.98 -0.39 -4.91 118.68 118.30 2aby s LEU 45 Ca 0.05 -0.13 -0.03 0.00 -2.89 0.00 0.00 54.13 51.14 2aby s LEU 45 Cb -0.17 1.71 0.00 0.00 0.66 0.00 0.00 46.19 48.39 2aby s LEU 45 CO -0.21 -0.71 0.41 -1.22 -1.89 0.00 0.00 176.35 172.73 2aby n TYR 46 N 0.29 -1.53 -0.95 5.38 4.01 -1.26 -1.41 117.16 121.69 2aby n TYR 46 Ca -0.18 0.35 0.00 0.00 -0.16 0.00 0.00 57.90 57.91 2aby n TYR 46 Cb 0.61 -4.01 0.00 0.00 -0.31 0.00 0.00 39.34 35.63 2aby n TYR 46 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2aby n GLY 47 N -1.34 0.17 2.99 2.72 0.00 -1.26 -4.95 105.19 103.52 2aby n GLY 47 Ca -0.13 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.67 2aby n GLY 47 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2aby s GLN 48 N -1.29 1.12 -0.14 1.61 -0.21 -0.50 -5.14 119.66 115.11 2aby s GLN 48 Ca 0.00 -0.29 -0.03 0.00 0.02 0.00 0.00 55.36 55.06 2aby s GLN 48 Cb 0.00 -1.02 -0.03 0.00 1.00 0.00 0.00 33.01 32.97 2aby s GLN 48 CO 0.00 0.06 -0.06 -1.59 -2.12 0.00 0.00 175.29 171.58 2aby s LYS 49 N 0.45 3.54 0.10 2.91 0.00 -1.26 -1.27 119.74 124.21 2aby s LYS 49 Ca -0.08 -0.55 0.05 0.00 0.00 0.00 0.00 55.97 55.39 2aby s LYS 49 Cb -0.12 -2.83 -0.04 0.00 0.00 0.00 0.00 37.83 34.84 2aby s LYS 49 CO 0.01 0.28 -0.12 0.71 0.00 0.00 0.00 175.35 176.23 2aby s TYR 50 N 0.25 1.23 -0.17 1.78 2.02 0.11 -4.98 117.35 117.58 2aby s TYR 50 Ca -0.04 -0.58 -0.08 0.00 -0.37 0.00 0.00 57.07 56.00 2aby s TYR 50 Cb -0.14 -0.66 -0.04 0.00 -0.40 0.00 0.00 41.96 40.72 2aby s TYR 50 CO 0.03 0.07 0.09 -0.06 -1.57 0.00 0.00 175.55 174.11 2aby s PHE 51 N -2.12 3.35 -0.02 2.71 0.40 0.29 -0.53 117.98 122.05 2aby s PHE 51 Ca 0.06 0.23 0.03 0.00 -0.60 0.00 0.00 56.93 56.64 2aby s PHE 51 Cb -0.05 -2.06 -0.00 0.00 0.51 0.00 0.00 43.02 41.42 2aby s PHE 51 CO 0.02 0.30 -0.11 1.03 0.70 0.00 0.00 175.22 177.16 2aby s ARG 52 N 0.08 1.11 -0.04 0.44 1.81 -0.63 -0.07 118.95 121.64 2aby s ARG 52 Ca 0.07 -0.39 0.07 0.00 -1.72 0.00 0.00 55.73 53.75 2aby s ARG 52 Cb -0.12 -1.03 -0.02 0.00 -0.45 0.00 0.00 34.95 33.34 2aby s ARG 52 CO 0.00 0.18 -0.24 0.96 -0.68 0.00 0.00 175.30 175.52 2aby s ILE 53 N 0.04 2.19 -0.18 1.52 -5.25 0.50 -1.54 121.20 118.47 2aby s ILE 53 Ca -0.01 -1.04 -0.00 0.00 -0.99 0.00 0.00 60.65 58.61 2aby s ILE 53 Cb -0.08 -1.78 0.01 0.00 2.95 0.00 0.00 42.46 43.55 2aby s ILE 53 CO 0.00 0.58 -0.15 -0.22 -1.79 0.00 0.00 174.94 173.36 2aby s LEU 54 N -0.41 2.40 -0.17 0.37 0.20 0.17 -1.45 118.68 119.79 2aby s LEU 54 Ca 0.04 -0.54 0.01 0.00 0.69 0.00 0.00 54.13 54.33 2aby s LEU 54 Cb -0.12 -1.56 0.02 0.00 -0.43 0.00 0.00 46.19 44.10 2aby s LEU 54 CO 0.01 0.02 -0.17 0.12 -0.29 0.00 0.00 176.35 176.05 2aby s PHE 55 N 1.18 2.51 0.06 5.38 5.36 -0.31 -0.86 117.98 131.31 2aby s PHE 55 Ca 0.02 -1.49 0.03 0.00 -0.96 0.00 0.00 56.93 54.53 2aby s PHE 55 Cb -0.14 -1.77 -0.03 0.00 -0.34 0.00 0.00 43.02 40.74 2aby s PHE 55 CO -0.07 -0.75 -0.09 1.14 -1.46 0.00 0.00 175.22 174.00 2aby s GLN 56 N 1.37 0.66 0.87 10.12 -2.07 0.78 0.10 119.66 131.49 2aby s GLN 56 Ca 0.04 -0.92 -0.11 0.00 -1.82 0.00 0.00 55.36 52.54 2aby s GLN 56 Cb -0.13 -0.40 0.19 0.00 -1.09 0.00 0.00 33.01 31.58 2aby s GLN 56 CO -0.12 0.07 1.18 0.45 -1.32 0.00 0.00 175.29 175.56 2aby n SER 57 N 1.10 0.45 0.01 12.60 2.88 -1.07 -1.27 113.62 128.33 2aby n SER 57 Ca -0.20 -1.65 -0.11 0.00 -1.33 0.00 0.00 58.87 55.58 2aby n SER 57 Cb 0.56 -0.87 -0.09 0.00 -0.75 0.00 0.00 64.21 63.06 2aby n SER 57 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 2aby h LYS 58 N 0.00 -0.11 0.05 -1.46 1.63 -1.91 -3.35 116.57 111.42 2aby h LYS 58 Ca -0.38 0.01 -0.25 0.00 -0.85 0.00 0.00 60.65 59.17 2aby h LYS 58 Cb 1.15 0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 32.78 2aby h LYS 58 CO 0.31 0.44 -1.24 0.87 -3.45 0.00 0.00 179.45 176.37 2aby h LYS 59 N -0.83 0.11 -6.35 1.90 1.79 -1.91 -3.47 116.57 107.81 2aby h LYS 59 Ca -0.01 -0.19 -0.33 0.00 -2.18 0.00 0.00 60.65 57.94 2aby h LYS 59 Cb 0.60 0.07 -0.09 0.00 -1.58 0.00 0.00 32.23 31.23 2aby h LYS 59 CO 0.02 1.01 -0.52 1.47 -1.08 0.00 0.00 179.45 180.35 2aby n LEU 60 N -3.37 -0.41 -4.81 2.94 -0.00 -1.24 -4.83 117.00 105.27 2aby n LEU 60 Ca -0.07 -0.69 -0.34 0.00 -0.00 0.00 0.00 56.01 54.92 2aby n LEU 60 Cb 0.99 -0.85 -0.07 0.00 -0.00 0.00 0.00 43.42 43.50 2aby n LEU 60 CO 0.49 0.29 0.66 -0.44 -0.00 0.00 0.00 177.39 178.39 2aby s SER 61 N -3.84 6.92 0.34 1.45 0.01 -1.18 -4.93 113.70 112.47 2aby s SER 61 Ca 0.06 1.73 0.15 0.00 1.31 0.00 0.00 55.95 59.20 2aby s SER 61 Cb -0.03 -2.55 0.60 0.00 0.21 0.00 0.00 66.02 64.25 2aby s SER 61 CO 0.53 -0.37 1.71 -0.08 0.41 0.00 0.00 173.24 175.44 2aby h GLU 62 N 2.01 0.00 -6.55 12.44 4.81 -1.89 -3.45 114.58 121.94 2aby h GLU 62 Ca -0.49 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 58.44 2aby h GLU 62 Cb 1.19 0.00 0.18 0.00 0.63 0.00 0.00 28.75 30.74 2aby h GLU 62 CO 0.61 0.45 -0.19 1.28 -0.73 0.00 0.00 179.01 180.43 2aby n LEU 63 N -3.69 -0.80 -2.75 1.64 7.99 -1.26 -4.57 117.00 113.56 2aby n LEU 63 Ca -0.01 -0.64 -0.04 0.00 -0.01 0.00 0.00 56.01 55.31 2aby n LEU 63 Cb 0.53 -0.92 0.01 0.00 -0.11 0.00 0.00 43.42 42.93 2aby n LEU 63 CO 0.39 -3.99 0.15 1.41 -1.51 0.00 0.00 177.39 173.83 2aby n HIS 64 N -5.20 -2.86 0.17 -1.77 8.25 -1.26 -4.92 115.22 107.62 2aby n HIS 64 Ca 0.10 1.13 0.01 0.00 -0.26 0.00 0.00 57.72 58.70 2aby n HIS 64 Cb 0.49 -3.77 0.29 0.00 1.12 0.00 0.00 29.99 28.11 2aby n HIS 64 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2aby h PRO 65 N 1.18 0.00 0.00 -0.41 0.13 -1.98 -2.89 132.00 128.03 2aby h PRO 65 Ca 0.00 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.03 2aby h PRO 65 Cb 0.92 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.04 2aby h PRO 65 CO 0.21 0.47 -0.49 0.93 -0.23 0.00 0.00 178.00 178.89 2aby h GLU 66 N 0.00 0.00 -0.04 0.86 5.08 -1.98 -2.99 114.58 115.51 2aby h GLU 66 Ca -0.00 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 2aby h GLU 66 Cb 0.85 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.09 2aby h GLU 66 CO 0.06 0.49 -0.35 0.93 -1.00 0.00 0.00 179.01 179.14 2aby h GLU 67 N 0.00 0.08 -0.04 2.33 4.39 -1.86 -2.95 114.58 116.53 2aby h GLU 67 Ca -0.00 -0.03 0.04 0.00 0.34 0.00 0.00 59.36 59.70 2aby h GLU 67 Cb 1.01 -0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.60 2aby h GLU 67 CO 0.06 0.42 -0.35 0.00 -1.16 0.00 0.00 179.01 177.99 2aby h ARG 68 N 0.07 -0.46 -0.26 2.33 -0.00 -1.57 0.92 114.38 115.41 2aby h ARG 68 Ca 0.01 0.03 -0.06 0.00 -0.50 0.00 0.00 59.98 59.46 2aby h ARG 68 Cb 0.65 0.10 -0.02 0.00 0.00 0.00 0.00 29.97 30.71 2aby h ARG 68 CO 0.05 -0.31 -0.11 1.57 0.00 0.00 0.00 179.97 181.18 2aby h LYS 69 N -0.48 0.43 0.27 0.04 2.10 -1.70 -0.75 116.57 116.48 2aby h LYS 69 Ca 0.07 -0.11 -0.01 0.00 -2.00 0.00 0.00 60.65 58.59 2aby h LYS 69 Cb 0.58 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 31.86 2aby h LYS 69 CO -0.31 0.54 -0.13 -0.22 -2.00 0.00 0.00 179.45 177.33 2aby h LYS 70 N 0.40 -0.35 -0.12 0.07 3.64 -1.10 -1.60 116.57 117.51 2aby h LYS 70 Ca 0.08 0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.38 2aby h LYS 70 Cb 0.44 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.32 2aby h LYS 70 CO 0.02 -0.21 -0.40 -0.39 -2.27 0.00 0.00 179.45 176.21 2aby h VAL 71 N -0.40 1.30 0.25 2.00 -1.51 -0.75 -1.55 116.25 115.59 2aby h VAL 71 Ca -0.04 -1.49 -0.01 0.00 -1.23 0.00 0.00 66.70 63.93 2aby h VAL 71 Cb 0.31 1.66 0.00 0.00 -2.13 0.00 0.00 31.29 31.13 2aby h VAL 71 CO 0.06 0.45 -0.13 0.03 -1.23 0.00 0.00 177.57 176.75 2aby h ARG 72 N 0.22 -0.33 -0.14 5.19 2.47 -0.90 -0.67 114.38 120.21 2aby h ARG 72 Ca 0.02 0.02 -0.13 0.00 -1.26 0.00 0.00 59.98 58.63 2aby h ARG 72 Cb 0.80 0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 29.19 2aby h ARG 72 CO 0.06 -0.22 -0.48 1.05 0.56 0.00 0.00 179.97 180.94 2aby h GLU 73 N -0.34 0.37 0.41 0.04 -0.00 -1.28 -0.16 114.58 113.63 2aby h GLU 73 Ca -0.03 -0.21 -0.02 0.00 -0.00 0.00 0.00 59.36 59.10 2aby h GLU 73 Cb 0.27 0.01 0.00 0.00 -0.00 0.00 0.00 28.75 29.04 2aby h GLU 73 CO 0.05 0.77 -0.20 -0.22 -0.00 0.00 0.00 179.01 179.41 2aby h LYS 74 N 0.29 -0.54 -0.09 1.06 3.11 -1.04 0.24 116.57 119.60 2aby h LYS 74 Ca 0.02 0.04 -0.16 0.00 -2.81 0.00 0.00 60.65 57.73 2aby h LYS 74 Cb 0.96 0.12 -0.01 0.00 -1.00 0.00 0.00 32.23 32.30 2aby h LYS 74 CO 0.08 -0.36 -0.63 0.27 -2.81 0.00 0.00 179.45 176.01 2aby h PHE 75 N -0.56 0.44 -0.05 1.91 -5.15 -1.14 -0.94 116.94 111.45 2aby h PHE 75 Ca -0.06 -0.17 -0.00 0.00 -0.20 0.00 0.00 57.97 57.54 2aby h PHE 75 Cb 0.43 -0.08 -0.00 0.00 0.22 0.00 0.00 35.95 36.52 2aby h PHE 75 CO -0.05 0.87 0.01 0.22 -2.00 0.00 0.00 178.31 177.37 2aby h ASP 76 N 0.25 0.07 -0.24 -0.68 3.58 -0.87 -0.88 116.42 117.65 2aby h ASP 76 Ca -0.01 -0.21 -0.12 0.00 0.42 0.00 0.00 57.03 57.11 2aby h ASP 76 Cb 1.16 -0.02 -0.00 0.00 1.72 0.00 0.00 39.33 42.19 2aby h ASP 76 CO 0.10 0.26 -0.30 -0.33 -2.88 0.00 0.00 179.24 176.10 2aby h GLU 77 N -0.13 0.62 -0.84 0.28 4.39 -0.56 -0.91 114.58 117.44 2aby h GLU 77 Ca 0.01 -0.35 0.05 0.00 0.34 0.00 0.00 59.36 59.41 2aby h GLU 77 Cb 0.22 0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 28.84 2aby h GLU 77 CO -0.00 0.96 0.55 -0.97 -1.16 0.00 0.00 179.01 178.39 2aby h ASN 78 N 0.33 0.87 0.05 1.42 -1.24 -1.15 0.44 115.58 116.29 2aby h ASN 78 Ca 0.03 -0.00 -0.23 0.00 0.71 0.00 0.00 56.30 56.81 2aby h ASN 78 Cb 0.88 -0.19 0.02 0.00 0.73 0.00 0.00 38.32 39.75 2aby h ASN 78 CO 0.07 0.58 -0.92 -1.28 -1.29 0.00 0.00 177.43 174.59 2aby h SER 79 N 1.00 0.73 0.69 1.15 0.87 -1.10 -3.16 113.55 113.74 2aby h SER 79 Ca 0.34 -0.79 0.00 0.00 -1.23 0.00 0.00 61.79 60.11 2aby h SER 79 Cb 0.10 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 61.83 2aby h SER 79 CO -0.11 1.44 0.00 -2.11 -0.53 0.00 0.00 176.83 175.52 2aby n ARG 80 N -3.99 0.09 -1.41 2.24 -4.01 -0.35 -4.88 116.66 104.33 2aby n ARG 80 Ca -0.12 0.10 -0.46 0.00 -1.04 0.00 0.00 57.85 56.33 2aby n ARG 80 Cb 0.83 -1.50 -0.02 0.00 -3.04 0.00 0.00 32.46 28.73 2aby n ARG 80 CO 0.00 0.00 0.00 -1.33 -3.04 0.00 0.00 177.63 173.26 2aby n MET 81 N -1.44 0.22 -1.27 2.89 2.81 0.15 -4.84 117.12 115.63 2aby n MET 81 Ca 0.07 0.08 -0.36 0.00 -1.81 0.00 0.00 57.70 55.68 2aby n MET 81 Cb 0.24 -1.15 0.08 0.00 -0.71 0.00 0.00 33.22 31.69 2aby n MET 81 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 2aby n GLN 82 N 0.99 0.36 -0.09 0.03 1.13 -1.26 -4.69 117.38 113.84 2aby n GLN 82 Ca 0.15 0.17 0.02 0.00 -1.94 0.00 0.00 57.00 55.40 2aby n GLN 82 Cb 0.29 -2.06 0.32 0.00 0.11 0.00 0.00 30.24 28.90 2aby n GLN 82 CO 0.00 0.00 0.00 1.88 -1.44 0.00 0.00 177.06 177.50 2aby h TYR 83 N -0.41 0.70 -0.17 1.08 0.05 -1.98 -0.37 116.97 115.88 2aby h TYR 83 Ca -0.46 -0.00 0.05 0.00 0.05 0.00 0.00 58.73 58.36 2aby h TYR 83 Cb 1.33 -0.23 -0.05 0.00 1.01 0.00 0.00 36.73 38.79 2aby h TYR 83 CO 0.38 0.49 -0.16 0.77 -1.05 0.00 0.00 178.16 178.59 2aby h SER 84 N 0.74 -0.51 0.59 3.88 0.02 -1.99 0.17 113.55 116.45 2aby h SER 84 Ca 0.19 0.10 -0.17 0.00 -0.84 0.00 0.00 61.79 61.07 2aby h SER 84 Cb 0.00 0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.78 2aby h SER 84 CO -0.03 -0.21 -0.77 -0.08 -1.14 0.00 0.00 176.83 174.60 2aby h GLU 85 N -0.18 0.14 -0.76 3.45 4.57 -1.85 -1.39 114.58 118.56 2aby h GLU 85 Ca 0.11 -0.13 -0.03 0.00 -1.18 0.00 0.00 59.36 58.13 2aby h GLU 85 Cb 0.35 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.93 2aby h GLU 85 CO -0.28 0.84 0.34 1.25 -1.18 0.00 0.00 179.01 179.98 2aby h LEU 86 N 0.09 1.01 0.00 1.64 7.12 -0.38 0.22 115.31 125.01 2aby h LEU 86 Ca -0.02 -0.15 -0.20 0.00 0.13 0.00 0.00 57.88 57.64 2aby h LEU 86 Cb 1.36 -0.26 -0.03 0.00 -0.53 0.00 0.00 40.66 41.19 2aby h LEU 86 CO 0.11 0.88 -1.08 0.24 -0.13 0.00 0.00 178.44 178.46 2aby h MET 87 N 1.08 0.00 -0.02 1.25 2.86 -0.68 -3.18 114.93 116.23 2aby h MET 87 Ca 0.26 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.88 2aby h MET 87 Cb 0.15 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.81 2aby h MET 87 CO -0.03 0.70 -0.07 1.15 1.06 0.00 0.00 176.91 179.73 2aby h THR 88 N 0.00 1.48 0.00 2.22 2.02 -0.97 0.27 112.91 117.93 2aby h THR 88 Ca -0.08 -1.51 0.00 0.00 0.77 0.00 0.00 66.41 65.59 2aby h THR 88 Cb 1.71 2.44 0.00 0.00 -1.74 0.00 0.00 68.15 70.56 2aby h THR 88 CO 0.10 0.40 0.00 1.17 0.37 0.00 0.00 175.52 177.56 2aby n LYS 89 N -4.71 0.10 -0.11 6.66 3.00 0.73 0.38 118.16 124.21 2aby n LYS 89 Ca -0.09 0.21 -0.18 0.00 -0.00 0.00 0.00 58.31 58.25 2aby n LYS 89 Cb 0.35 -1.50 -0.09 0.00 0.00 0.00 0.00 35.03 33.79 2aby n LYS 89 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.40 178.38 2aby n TYR 90 N -1.40 0.00 -0.09 5.64 9.36 -1.16 -4.27 117.16 125.24 2aby n TYR 90 Ca 0.05 0.00 -0.14 0.00 3.32 0.00 0.00 57.90 61.13 2aby n TYR 90 Cb 0.14 -0.83 -0.06 0.00 -0.63 0.00 0.00 39.34 37.96 2aby n TYR 90 CO 0.00 0.00 0.00 1.58 0.22 0.00 0.00 176.86 178.66 2aby n HIS 91 N -3.45 0.70 0.09 2.98 -0.00 0.94 -4.04 115.22 112.44 2aby n HIS 91 Ca -0.41 0.30 0.05 0.00 0.46 0.00 0.00 57.72 58.13 2aby n HIS 91 Cb 0.88 -0.87 0.27 0.00 -0.12 0.00 0.00 29.99 30.15 2aby n HIS 91 CO 0.00 0.00 0.00 -3.47 0.46 0.00 0.00 176.34 173.33 2aby n ASP 92 N -4.48 0.26 -0.24 0.26 2.03 0.16 -0.09 116.55 114.44 2aby n ASP 92 Ca -0.23 0.62 0.12 0.00 0.52 0.00 0.00 54.79 55.82 2aby n ASP 92 Cb 0.52 -0.65 0.28 0.00 -0.72 0.00 0.00 41.12 40.56 2aby n ASP 92 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2aby n LEU 93 N -1.84 1.10 0.20 -2.67 7.99 -0.99 -4.12 117.00 116.66 2aby n LEU 93 Ca -0.00 -0.31 0.17 0.00 -0.01 0.00 0.00 56.01 55.86 2aby n LEU 93 Cb 0.03 -0.12 0.74 0.00 -0.11 0.00 0.00 43.42 43.96 2aby n LEU 93 CO 0.05 0.21 1.15 0.07 -1.51 0.00 0.00 177.39 177.36 2aby h LYS 94 N 1.17 0.00 0.05 3.23 -0.00 -0.64 0.33 116.57 120.72 2aby h LYS 94 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 60.65 60.66 2aby h LYS 94 Cb 0.54 0.00 -0.04 0.00 -0.00 0.00 0.00 32.23 32.74 2aby h LYS 94 CO 0.00 0.00 -0.37 -0.22 -0.00 0.00 0.00 179.45 178.86 2aby h LYS 95 N 0.00 -0.49 -0.00 0.07 1.63 -1.79 -3.28 116.57 112.70 2aby h LYS 95 Ca 0.11 0.03 -0.05 0.00 -0.85 0.00 0.00 60.65 59.89 2aby h LYS 95 Cb 1.00 0.11 -0.10 0.00 -0.60 0.00 0.00 32.23 32.64 2aby h LYS 95 CO -0.00 -0.33 -0.64 1.04 -3.45 0.00 0.00 179.45 176.07 2aby n GLN 96 N -4.56 1.20 -4.04 1.90 6.02 -0.93 -5.02 117.38 111.94 2aby n GLN 96 Ca -0.06 -2.98 -0.35 0.00 -0.01 0.00 0.00 57.00 53.61 2aby n GLN 96 Cb 0.28 -1.21 -0.14 0.00 1.02 0.00 0.00 30.24 30.20 2aby n GLN 96 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 2aby s GLY 97 N -2.93 1.62 -0.50 1.08 0.00 0.11 -4.97 107.32 101.74 2aby s GLY 97 Ca 0.37 -1.10 -0.10 0.00 0.00 0.00 0.00 44.72 43.89 2aby s GLY 97 CO -0.09 0.31 0.38 0.54 0.00 0.00 0.00 173.10 174.24 2aby s LYS 98 N 1.24 2.58 -0.11 2.90 -0.14 -1.26 -4.64 119.74 120.31 2aby s LYS 98 Ca 0.03 -1.80 -0.03 0.00 -1.36 0.00 0.00 55.97 52.81 2aby s LYS 98 Cb -0.14 -3.99 -0.03 0.00 -1.68 0.00 0.00 37.83 31.98 2aby s LYS 98 CO -0.01 -1.22 0.01 -1.50 -0.76 0.00 0.00 175.35 171.87 2aby s ILE 99 N 1.32 4.39 0.00 2.17 2.07 -1.26 -4.03 121.20 125.86 2aby s ILE 99 Ca 0.06 -0.21 0.06 0.00 -1.41 0.00 0.00 60.65 59.15 2aby s ILE 99 Cb -0.26 -2.87 -0.02 0.00 0.13 0.00 0.00 42.46 39.44 2aby s ILE 99 CO -0.01 0.58 -0.19 -0.54 -1.91 0.00 0.00 174.94 172.88 2aby s LYS 100 N -0.59 1.43 -0.73 3.50 -0.14 -1.26 -5.07 119.74 116.88 2aby s LYS 100 Ca 0.10 -0.72 -0.10 0.00 -1.36 0.00 0.00 55.97 53.89 2aby s LYS 100 Cb -0.12 -1.42 0.19 0.00 -1.68 0.00 0.00 37.83 34.80 2aby s LYS 100 CO 0.02 0.38 0.63 0.34 -0.76 0.00 0.00 175.35 175.96 2aby s ASP 101 N -0.64 6.17 0.64 2.83 2.15 -1.26 -4.84 116.67 121.73 2aby s ASP 101 Ca 0.07 -2.67 -0.12 0.00 0.43 0.00 0.00 52.55 50.26 2aby s ASP 101 Cb -0.07 -2.08 -0.02 0.00 -0.30 0.00 0.00 42.92 40.44 2aby s ASP 101 CO -0.00 -0.52 1.04 -0.13 -0.17 0.00 0.00 175.17 175.39 2aby s ARG 102 N 0.20 3.31 0.19 4.34 3.00 -1.26 -5.01 118.95 123.72 2aby s ARG 102 Ca 0.16 0.90 -0.30 0.00 0.00 0.00 0.00 55.73 56.49 2aby s ARG 102 Cb -0.15 -2.04 -0.09 0.00 0.00 0.00 0.00 34.95 32.67 2aby s ARG 102 CO -0.06 -0.80 1.31 -1.25 0.00 0.00 0.00 175.30 174.50 2aby s PRO 103 N -4.94 4.38 0.25 3.54 0.04 -1.26 -4.99 135.00 132.03 2aby s PRO 103 Ca 0.57 2.05 -0.30 0.00 0.04 0.00 0.00 61.00 63.36 2aby s PRO 103 Cb -0.13 -3.20 -0.09 0.00 0.04 0.00 0.00 34.50 31.12 2aby s PRO 103 CO 0.51 -0.27 1.25 0.54 0.04 0.00 0.00 177.00 179.07 2aby s VAL 104 N 0.21 3.19 0.11 -0.36 0.11 -1.26 -4.93 120.40 117.47 2aby s VAL 104 Ca 0.57 1.08 -0.22 0.00 -2.93 0.00 0.00 61.98 60.48 2aby s VAL 104 Cb -0.36 -3.69 -0.07 0.00 -1.53 0.00 0.00 36.38 30.73 2aby s VAL 104 CO 0.37 0.21 0.67 -0.75 -3.33 0.00 0.00 175.10 172.27 2aby s LYS 105 N -0.85 4.38 0.23 1.54 2.47 -0.82 -4.78 119.74 121.90 2aby s LYS 105 Ca 0.51 0.94 -0.30 0.00 -1.56 0.00 0.00 55.97 55.56 2aby s LYS 105 Cb -0.36 -3.25 -0.09 0.00 -1.46 0.00 0.00 37.83 32.67 2aby s LYS 105 CO 0.42 0.59 1.05 -1.83 0.16 0.00 0.00 175.35 175.75 2aby s GLU 106 N -1.08 4.68 -0.06 4.03 1.03 -1.26 0.55 118.70 126.58 2aby s GLU 106 Ca 0.32 1.68 0.00 0.00 0.03 0.00 0.00 54.97 57.01 2aby s GLU 106 Cb -0.21 -3.25 -0.03 0.00 -0.80 0.00 0.00 34.13 29.84 2aby s GLU 106 CO 0.22 0.24 -0.05 0.08 -1.33 0.00 0.00 175.26 174.42 2aby s VAL 107 N -0.78 3.87 0.48 1.83 1.01 -0.28 -4.86 120.40 121.68 2aby s VAL 107 Ca 0.45 -0.45 0.03 0.00 0.00 0.00 0.00 61.98 62.01 2aby s VAL 107 Cb -0.29 -2.61 -0.03 0.00 0.00 0.00 0.00 36.38 33.45 2aby s VAL 107 CO 0.36 0.58 0.01 -1.00 0.00 0.00 0.00 175.10 175.05 2aby s HIS 108 N -0.85 2.01 -0.20 5.22 3.76 -1.26 -4.19 115.29 119.77 2aby s HIS 108 Ca 0.13 -0.91 -0.29 0.00 -0.15 0.00 0.00 55.06 53.84 2aby s HIS 108 Cb -0.11 -1.62 0.00 0.00 1.11 0.00 0.00 32.58 31.96 2aby s HIS 108 CO 0.02 0.25 1.06 -1.21 -0.85 0.00 0.00 174.74 174.01 2aby s GLU 109 N -3.83 4.28 0.00 1.40 8.01 -1.26 -4.93 118.70 122.37 2aby s GLU 109 Ca 0.13 1.39 0.00 0.00 0.01 0.00 0.00 54.97 56.51 2aby s GLU 109 Cb 0.04 -3.63 0.00 0.00 -4.31 0.00 0.00 34.13 26.22 2aby s GLU 109 CO 0.07 -0.58 0.00 -1.91 0.01 0.00 0.00 175.26 172.84 2aby n GLU 110 N 6.12 -1.15 -3.80 1.61 2.13 -1.26 -5.09 120.64 119.20 2aby n GLU 110 Ca 0.12 0.00 -0.29 0.00 0.66 0.00 0.00 57.16 57.65 2aby n GLU 110 Cb 0.46 0.00 -0.12 0.00 0.27 0.00 0.00 31.44 32.05 2aby n GLU 110 CO 0.00 0.00 0.00 -0.47 -0.41 0.00 0.00 177.13 176.25 2aby s TYR 111 N -3.00 2.84 0.07 4.31 5.04 -1.26 -4.86 117.35 120.49 2aby s TYR 111 Ca 0.00 -2.99 0.00 0.00 -2.44 0.00 0.00 57.07 51.64 2aby s TYR 111 Cb 0.00 -2.32 0.00 0.00 0.35 0.00 0.00 41.96 39.99 2aby s TYR 111 CO 0.00 -0.67 0.00 -3.47 -1.34 0.00 0.00 175.55 170.07 2aby n ASP 112 N 2.61 0.32 -3.12 4.32 2.03 -1.26 -5.09 116.55 116.36 2aby n ASP 112 Ca 0.16 0.12 -0.13 0.00 0.52 0.00 0.00 54.79 55.46 2aby n ASP 112 Cb 0.36 -0.04 0.13 0.00 -0.72 0.00 0.00 41.12 40.84 2aby n ASP 112 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2aby n LEU 113 N -3.14 0.00 -0.28 -2.67 4.77 -1.26 -4.88 117.00 109.53 2aby n LEU 113 Ca 0.00 -0.37 -0.05 0.00 -0.03 0.00 0.00 56.01 55.55 2aby n LEU 113 Cb 0.19 -0.44 0.06 0.00 -2.33 0.00 0.00 43.42 40.89 2aby n LEU 113 CO 0.00 -2.07 1.10 -0.50 -1.33 0.00 0.00 177.39 174.59 2aby h TRP 114 N -2.66 1.08 -5.84 -1.77 -0.00 -2.00 -3.47 115.95 101.29 2aby h TRP 114 Ca -0.17 -0.04 -0.24 0.00 -0.00 0.00 0.00 58.89 58.44 2aby h TRP 114 Cb 0.57 -0.34 0.06 0.00 -0.00 0.00 0.00 29.16 29.45 2aby h TRP 114 CO 0.00 0.78 -0.59 0.39 -0.00 0.00 0.00 178.44 179.02 2aby n GLU 115 N -4.41 -1.50 0.01 0.49 1.02 -1.26 -4.78 120.64 110.21 2aby n GLU 115 Ca 0.07 0.99 0.00 0.00 -0.02 0.00 0.00 57.16 58.20 2aby n GLU 115 Cb 0.12 -4.77 0.00 0.00 -0.02 0.00 0.00 31.44 26.77 2aby n GLU 115 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2aby n ASP 116 N -2.42 -0.14 0.02 1.62 8.00 -1.26 -4.92 116.55 117.45 2aby n ASP 116 Ca -0.09 0.42 -0.13 0.00 0.71 0.00 0.00 54.79 55.70 2aby n ASP 116 Cb 0.58 0.52 -0.09 0.00 -0.02 0.00 0.00 41.12 42.11 2aby n ASP 116 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 2aby h PRO 117 N 0.00 -0.09 0.00 -0.24 0.13 -1.90 -1.09 132.00 128.81 2aby h PRO 117 Ca 0.00 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 2aby h PRO 117 Cb 0.00 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.15 2aby h PRO 117 CO 0.00 0.37 0.00 0.44 -0.23 0.00 0.00 178.00 178.58 2aby n ILE 118 N -4.91 0.57 0.02 -3.56 -0.00 -1.26 -2.62 119.36 107.61 2aby n ILE 118 Ca -0.08 -0.21 -0.12 0.00 -0.00 0.00 0.00 62.75 62.34 2aby n ILE 118 Cb 0.25 -0.64 -0.14 0.00 -0.00 0.00 0.00 39.64 39.12 2aby n ILE 118 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.55 176.30 2aby h TRP 119 N 0.00 0.18 0.00 4.28 7.01 -1.91 -3.41 115.95 122.10 2aby h TRP 119 Ca 0.00 -0.13 0.00 0.00 2.11 0.00 0.00 58.89 60.87 2aby h TRP 119 Cb 0.68 -0.01 0.00 0.00 -2.10 0.00 0.00 29.16 27.73 2aby h TRP 119 CO 0.00 1.19 -0.00 0.37 -2.79 0.00 0.00 178.44 177.21 2aby h GLN 120 N 0.03 0.00 0.00 2.65 -0.00 -1.19 -3.48 115.11 113.12 2aby h GLN 120 Ca -0.23 0.00 0.28 0.00 -0.00 0.00 0.00 58.65 58.70 2aby h GLN 120 Cb 1.97 0.00 -0.05 0.00 0.00 0.00 0.00 27.48 29.40 2aby h GLN 120 CO 0.11 0.00 0.72 0.98 0.00 0.00 0.00 178.83 180.65 2aby n TYR 121 N -2.53 -0.22 0.00 3.99 9.36 -1.08 -5.10 117.16 121.58 2aby n TYR 121 Ca -0.00 -0.49 0.00 0.00 3.32 0.00 0.00 57.90 60.73 2aby n TYR 121 Cb 0.00 0.22 0.00 0.00 -0.63 0.00 0.00 39.34 38.93 2aby n TYR 121 CO 0.00 0.00 0.00 0.44 0.22 0.00 0.00 176.86 177.52