#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aby s GLN 2 N 0.00 3.13 -0.00 0.03 -1.52 -1.26 -4.99 119.66 115.05 2aby s GLN 2 Ca 0.00 -0.21 -0.02 0.00 -1.95 0.00 0.00 55.36 53.18 2aby s GLN 2 Cb 0.00 -2.44 -0.01 0.00 -0.22 0.00 0.00 33.01 30.34 2aby s GLN 2 CO 0.00 -0.36 -0.04 1.63 -0.25 0.00 0.00 175.29 176.27 2aby n LYS 3 N -2.25 0.05 -1.25 2.91 4.76 -1.26 -5.01 118.16 116.12 2aby n LYS 3 Ca 0.02 0.02 -0.09 0.00 -2.87 0.00 0.00 58.31 55.39 2aby n LYS 3 Cb 0.57 -0.37 -0.04 0.00 -1.84 0.00 0.00 35.03 33.35 2aby n LYS 3 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2aby n GLY 4 N 2.69 1.00 3.17 0.72 0.00 -1.26 -4.96 105.19 106.55 2aby n GLY 4 Ca -0.01 -0.34 -0.11 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.96 2.50 -0.19 0.99 2.01 -1.26 -1.66 118.68 119.11 2aby s LEU 5 Ca 0.00 -0.98 -0.10 0.00 0.01 0.00 0.00 54.13 53.06 2aby s LEU 5 Cb 0.00 -0.10 -0.05 0.00 0.01 0.00 0.00 46.19 46.05 2aby s LEU 5 CO 0.00 -0.44 0.14 -1.61 1.01 0.00 0.00 176.35 175.45 2aby s GLU 6 N -3.69 4.11 -0.00 1.70 2.02 -1.26 -3.75 118.70 117.82 2aby s GLU 6 Ca 0.11 -0.19 -0.04 0.00 0.02 0.00 0.00 54.97 54.87 2aby s GLU 6 Cb 0.04 -3.39 -0.00 0.00 0.10 0.00 0.00 34.13 30.88 2aby s GLU 6 CO -0.04 0.35 0.08 0.96 0.02 0.00 0.00 175.26 176.63 2aby s ILE 7 N 0.20 0.07 0.04 -1.63 -0.00 0.11 -4.98 121.20 115.00 2aby s ILE 7 Ca 0.09 -0.54 0.06 0.00 -0.00 0.00 0.00 60.65 60.26 2aby s ILE 7 Cb -0.11 -0.29 -0.03 0.00 -0.00 0.00 0.00 42.46 42.02 2aby s ILE 7 CO -0.01 -0.30 -0.14 0.00 -0.00 0.00 0.00 174.94 174.49 2aby s ALA 8 N -0.96 2.75 -0.03 2.27 0.00 -1.26 -1.64 121.76 122.89 2aby s ALA 8 Ca -0.11 -1.16 0.05 0.00 0.00 0.00 0.00 51.96 50.75 2aby s ALA 8 Cb -0.06 -0.86 -0.01 0.00 0.00 0.00 0.00 23.12 22.19 2aby s ALA 8 CO 0.00 0.59 -0.19 0.12 0.00 0.00 0.00 175.76 176.29 2aby s PHE 9 N -0.98 1.76 0.04 0.00 5.36 -0.70 -4.78 117.98 118.68 2aby s PHE 9 Ca 0.16 -0.41 0.01 0.00 -0.96 0.00 0.00 56.93 55.73 2aby s PHE 9 Cb -0.11 -1.16 -0.04 0.00 -0.34 0.00 0.00 43.02 41.38 2aby s PHE 9 CO 0.07 -0.09 0.11 -1.14 -1.46 0.00 0.00 175.22 172.71 2aby s GLN 10 N -0.27 3.09 -0.28 10.12 2.00 -1.26 -1.19 119.66 131.88 2aby s GLN 10 Ca 0.03 -0.55 -0.14 0.00 -2.00 0.00 0.00 55.36 52.70 2aby s GLN 10 Cb -0.09 -2.86 0.09 0.00 0.80 0.00 0.00 33.01 30.95 2aby s GLN 10 CO 0.01 0.61 0.67 -0.08 -0.50 0.00 0.00 175.29 176.00 2aby s THR 11 N -1.34 -0.28 0.00 -0.34 -1.32 -0.11 -4.74 115.64 107.51 2aby s THR 11 Ca 0.28 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.76 2aby s THR 11 Cb -0.12 -0.99 0.00 0.00 -1.51 0.00 0.00 72.50 69.88 2aby s THR 11 CO 0.20 0.00 0.00 2.30 -2.21 0.00 0.00 174.62 174.91 2aby n ILE 12 N 4.63 0.00 -4.11 5.08 -5.35 -1.26 -1.02 119.36 117.33 2aby n ILE 12 Ca -0.18 0.00 -0.11 0.00 -0.27 0.00 0.00 62.75 62.20 2aby n ILE 12 Cb 0.56 -0.52 -0.08 0.00 -1.74 0.00 0.00 39.64 37.86 2aby n ILE 12 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 2aby s ASN 13 N -4.64 0.04 0.00 7.28 3.04 -1.26 -4.93 114.94 114.48 2aby s ASN 13 Ca 0.00 -1.18 0.00 0.00 0.04 0.00 0.00 52.86 51.72 2aby s ASN 13 Cb 0.00 0.47 0.00 0.00 -1.54 0.00 0.00 41.25 40.18 2aby s ASN 13 CO 0.00 -0.97 0.00 0.61 -3.04 0.00 0.00 177.10 173.70 2aby n GLY 14 N -0.32 -0.11 0.82 1.21 0.00 -1.26 -3.95 105.19 101.59 2aby n GLY 14 Ca 0.00 -1.43 0.06 0.00 0.00 0.00 0.00 46.02 44.65 2aby n GLY 14 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2aby n LEU 15 N 0.00 2.37 -0.05 0.99 -0.00 -1.26 -4.33 117.00 114.72 2aby n LEU 15 Ca 0.00 -1.19 -0.08 0.00 -0.00 0.00 0.00 56.01 54.74 2aby n LEU 15 Cb 0.00 -0.33 -0.02 0.00 -0.00 0.00 0.00 43.42 43.07 2aby n LEU 15 CO 0.00 0.51 0.80 0.44 -0.00 0.00 0.00 177.39 179.13 2aby h ASP 16 N 2.24 -0.32 -0.79 1.45 3.32 -1.96 -1.80 116.42 118.56 2aby h ASP 16 Ca 0.00 0.08 0.16 0.00 0.02 0.00 0.00 57.03 57.29 2aby h ASP 16 Cb 0.68 0.19 -0.10 0.00 0.22 0.00 0.00 39.33 40.31 2aby h ASP 16 CO 0.05 -0.12 0.31 1.05 -1.72 0.00 0.00 179.24 178.81 2aby h GLU 17 N -0.06 0.42 -0.76 3.56 -0.00 -1.87 0.95 114.58 116.81 2aby h GLU 17 Ca 0.12 -0.03 0.01 0.00 -0.00 0.00 0.00 59.36 59.46 2aby h GLU 17 Cb 0.24 -0.09 -0.04 0.00 -0.00 0.00 0.00 28.75 28.86 2aby h GLU 17 CO -0.27 0.28 0.50 0.66 -0.00 0.00 0.00 179.01 180.18 2aby h SER 18 N 0.43 0.87 -0.40 3.06 4.64 -1.65 -1.30 113.55 119.21 2aby h SER 18 Ca 0.44 -0.02 -0.12 0.00 -0.47 0.00 0.00 61.79 61.62 2aby h SER 18 Cb 0.72 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.57 2aby h SER 18 CO -0.44 0.63 -0.19 0.25 -0.87 0.00 0.00 176.83 176.22 2aby h LEU 19 N 1.03 0.90 0.29 5.97 6.46 -0.44 0.71 115.31 130.22 2aby h LEU 19 Ca 0.28 -0.32 -0.01 0.00 -0.12 0.00 0.00 57.88 57.71 2aby h LEU 19 Cb -0.12 -0.25 0.00 0.00 -0.73 0.00 0.00 40.66 39.57 2aby h LEU 19 CO -0.06 1.06 -0.14 0.58 -0.62 0.00 0.00 178.44 179.26 2aby h VAL 20 N 0.78 0.74 -0.53 1.05 2.07 -0.42 0.39 116.25 120.31 2aby h VAL 20 Ca 0.11 -0.19 -0.12 0.00 0.82 0.00 0.00 66.70 67.33 2aby h VAL 20 Cb 0.73 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 2aby h VAL 20 CO 0.06 0.04 -0.12 0.06 0.02 0.00 0.00 177.57 177.63 2aby h GLN 21 N -0.49 1.02 0.19 1.57 3.07 -1.25 -0.22 115.11 118.99 2aby h GLN 21 Ca -0.04 -0.38 -0.01 0.00 0.09 0.00 0.00 58.65 58.31 2aby h GLN 21 Cb 0.37 -0.06 0.00 0.00 0.08 0.00 0.00 27.48 27.87 2aby h GLN 21 CO 0.07 1.07 -0.09 0.00 0.09 0.00 0.00 178.83 179.96 2aby h ALA 22 N 0.94 -0.26 -0.32 0.06 0.00 -0.77 -2.60 119.26 116.32 2aby h ALA 22 Ca 0.14 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 2aby h ALA 22 Cb 0.69 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 2aby h ALA 22 CO 0.05 -0.52 -0.00 1.37 0.00 0.00 0.00 179.25 180.15 2aby h LEU 23 N -0.50 0.46 0.26 0.00 8.10 -0.23 -1.56 115.31 121.83 2aby h LEU 23 Ca -0.03 -0.08 -0.00 0.00 0.11 0.00 0.00 57.88 57.88 2aby h LEU 23 Cb 0.38 -0.12 -0.01 0.00 -0.44 0.00 0.00 40.66 40.47 2aby h LEU 23 CO 0.04 0.53 -0.22 0.00 -4.11 0.00 0.00 178.44 174.69 2aby h ALA 24 N 1.53 -0.47 -0.14 0.17 0.00 -0.92 0.16 119.26 119.59 2aby h ALA 24 Ca 0.10 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2aby h ALA 24 Cb 0.31 0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 2aby h ALA 24 CO 0.01 -0.79 -0.03 0.78 0.00 0.00 0.00 179.25 179.22 2aby h GLY 25 N -0.49 0.28 0.63 0.00 0.00 -1.33 -1.69 103.07 100.46 2aby h GLY 25 Ca -0.01 -0.23 0.03 0.00 0.00 0.00 0.00 47.33 47.12 2aby h GLY 25 CO -0.03 0.21 -0.10 -2.08 0.00 0.00 0.00 176.54 174.54 2aby h VAL 26 N -0.04 0.72 0.35 4.60 2.07 -1.23 0.98 116.25 123.69 2aby h VAL 26 Ca 0.04 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.54 2aby h VAL 26 Cb 0.44 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 2aby h VAL 26 CO 0.01 0.00 -0.19 0.74 0.02 0.00 0.00 177.57 178.15 2aby h THR 27 N -0.13 0.61 -0.81 2.57 2.02 -0.70 0.18 112.91 116.65 2aby h THR 27 Ca 0.07 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.36 2aby h THR 27 Cb 0.23 0.61 -0.06 0.00 -1.74 0.00 0.00 68.15 67.19 2aby h THR 27 CO -0.17 0.00 0.53 0.00 0.37 0.00 0.00 175.52 176.25 2aby h ALA 28 N 0.14 1.82 -0.01 6.16 0.00 -1.14 0.17 119.26 126.40 2aby h ALA 28 Ca -0.04 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.69 2aby h ALA 28 Cb 0.40 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2aby h ALA 28 CO 0.06 -0.01 -0.80 0.77 0.00 0.00 0.00 179.25 179.28 2aby h SER 29 N 0.68 0.18 1.72 0.00 0.02 -0.37 -3.06 113.55 112.72 2aby h SER 29 Ca 0.39 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 2aby h SER 29 Cb 0.56 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.05 2aby h SER 29 CO -0.15 0.90 0.00 -0.78 -1.14 0.00 0.00 176.83 175.66 2aby h ASP 30 N 0.09 0.00 -2.83 3.07 1.82 0.11 -3.37 116.42 115.31 2aby h ASP 30 Ca -0.03 0.00 -0.68 0.00 -0.39 0.00 0.00 57.03 55.93 2aby h ASP 30 Cb 1.39 0.00 -0.37 0.00 0.68 0.00 0.00 39.33 41.04 2aby h ASP 30 CO 0.12 0.00 -0.11 0.49 -1.61 0.00 0.00 179.24 178.12 2aby n PHE 31 N -2.68 3.55 0.37 0.28 3.72 0.44 -4.86 117.46 118.27 2aby n PHE 31 Ca 0.05 -3.83 0.13 0.00 -0.05 0.00 0.00 57.45 53.75 2aby n PHE 31 Cb 0.48 -0.93 0.55 0.00 -0.94 0.00 0.00 39.48 38.64 2aby n PHE 31 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2aby h PRO 32 N 5.21 0.00 0.00 -1.08 0.13 -1.73 -2.96 132.00 131.56 2aby h PRO 32 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 2aby h PRO 32 Cb 0.71 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.84 2aby h PRO 32 CO 0.94 0.00 0.07 -0.44 -0.23 0.00 0.00 178.00 178.34 2aby h ASP 33 N 0.00 0.00 -0.21 1.44 3.32 -1.92 -3.45 116.42 115.60 2aby h ASP 33 Ca 0.00 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.96 2aby h ASP 33 Cb 0.39 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.90 2aby h ASP 33 CO 0.00 0.00 -0.08 0.18 -1.72 0.00 0.00 179.24 177.62 2aby n LEU 34 N -2.93 0.12 -0.67 1.55 4.77 -1.12 -4.82 117.00 113.91 2aby n LEU 34 Ca -0.03 0.11 0.13 0.00 -0.03 0.00 0.00 56.01 56.20 2aby n LEU 34 Cb 0.13 -1.90 0.36 0.00 -2.33 0.00 0.00 43.42 39.68 2aby n LEU 34 CO 0.17 -0.68 0.78 0.47 -1.33 0.00 0.00 177.39 176.80 2aby n ASP 35 N -0.52 2.08 -4.69 -1.43 8.00 -1.26 -4.91 116.55 113.82 2aby n ASP 35 Ca -0.04 -1.69 -0.42 0.00 0.71 0.00 0.00 54.79 53.34 2aby n ASP 35 Cb 0.37 -0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.44 2aby n ASP 35 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 2aby s ILE 36 N -1.99 3.93 -0.88 0.53 2.07 -1.26 -4.35 121.20 119.24 2aby s ILE 36 Ca 0.34 1.28 -0.01 0.00 -1.41 0.00 0.00 60.65 60.86 2aby s ILE 36 Cb 0.21 -3.83 0.23 0.00 0.13 0.00 0.00 42.46 39.20 2aby s ILE 36 CO 0.32 -0.01 0.83 0.29 -1.91 0.00 0.00 174.94 174.46 2aby n LYS 37 N 5.35 2.75 -4.44 3.50 4.01 -0.33 -5.03 118.16 123.97 2aby n LYS 37 Ca 0.12 -4.51 -0.27 0.00 -0.51 0.00 0.00 58.31 53.14 2aby n LYS 37 Cb 0.45 -2.40 -0.13 0.00 -0.51 0.00 0.00 35.03 32.44 2aby n LYS 37 CO 0.00 0.00 0.00 -0.47 -1.11 0.00 0.00 177.40 175.82 2aby s TYR 38 N -1.64 2.12 0.13 2.13 6.14 -1.26 -0.19 117.35 124.77 2aby s TYR 38 Ca 0.29 -0.39 -0.23 0.00 0.64 0.00 0.00 57.07 57.38 2aby s TYR 38 Cb -0.03 -1.17 0.07 0.00 0.42 0.00 0.00 41.96 41.24 2aby s TYR 38 CO -0.10 0.26 0.59 1.21 0.64 0.00 0.00 175.55 178.14 2aby s ASN 39 N -1.85 -0.54 -0.14 4.32 2.47 -0.49 -4.99 114.94 113.72 2aby s ASN 39 Ca 0.11 0.07 0.02 0.00 0.42 0.00 0.00 52.86 53.48 2aby s ASN 39 Cb -0.10 0.57 0.01 0.00 -1.45 0.00 0.00 41.25 40.29 2aby s ASN 39 CO 0.05 -0.90 -0.21 0.27 -3.72 0.00 0.00 177.10 172.59 2aby s ILE 40 N -3.38 1.97 0.12 -5.21 -4.36 -1.26 -1.35 121.20 107.73 2aby s ILE 40 Ca -0.01 -0.92 0.06 0.00 -0.26 0.00 0.00 60.65 59.52 2aby s ILE 40 Cb -0.01 -1.75 -0.04 0.00 1.25 0.00 0.00 42.46 41.92 2aby s ILE 40 CO -0.10 0.53 -0.14 0.72 0.24 0.00 0.00 174.94 176.20 2aby s PHE 41 N 0.88 1.36 -0.18 1.37 -0.12 -0.70 -1.81 117.98 118.79 2aby s PHE 41 Ca -0.06 -0.56 -0.02 0.00 -0.05 0.00 0.00 56.93 56.24 2aby s PHE 41 Cb -0.15 -0.72 -0.01 0.00 -0.63 0.00 0.00 43.02 41.51 2aby s PHE 41 CO -0.03 0.13 -0.09 -1.17 -0.05 0.00 0.00 175.22 174.01 2aby s LEU 42 N -2.42 2.77 -0.14 -1.99 2.96 0.17 -1.70 118.68 118.33 2aby s LEU 42 Ca 0.08 -0.38 -0.05 0.00 -0.22 0.00 0.00 54.13 53.56 2aby s LEU 42 Cb -0.05 -1.66 -0.04 0.00 0.50 0.00 0.00 46.19 44.94 2aby s LEU 42 CO 0.03 0.07 0.05 0.68 -1.32 0.00 0.00 176.35 175.85 2aby s VAL 43 N 0.96 4.70 -0.27 1.68 -7.23 0.18 -1.00 120.40 119.42 2aby s VAL 43 Ca -0.01 -0.08 -0.02 0.00 -1.81 0.00 0.00 61.98 60.05 2aby s VAL 43 Cb -0.15 -3.06 0.09 0.00 0.56 0.00 0.00 36.38 33.82 2aby s VAL 43 CO -0.00 0.54 0.09 1.51 -0.31 0.00 0.00 175.10 176.93 2aby s ASP 44 N -0.33 3.52 0.07 4.85 1.47 -1.26 0.10 116.67 125.08 2aby s ASP 44 Ca 0.08 -1.27 -0.09 0.00 1.18 0.00 0.00 52.55 52.46 2aby s ASP 44 Cb -0.12 -0.63 -0.00 0.00 -0.34 0.00 0.00 42.92 41.82 2aby s ASP 44 CO 0.02 -0.39 0.18 -0.76 0.68 0.00 0.00 175.17 174.90 2aby s LEU 45 N 1.83 1.45 -1.86 2.11 2.01 0.31 -4.86 118.68 119.68 2aby s LEU 45 Ca 0.06 -0.57 0.00 0.00 0.01 0.00 0.00 54.13 53.63 2aby s LEU 45 Cb -0.17 0.97 0.00 0.00 0.01 0.00 0.00 46.19 47.00 2aby s LEU 45 CO -0.23 -0.66 0.00 -1.22 1.01 0.00 0.00 176.35 175.25 2aby n TYR 46 N 0.20 -0.15 0.00 0.29 4.01 -1.26 -1.28 117.16 118.97 2aby n TYR 46 Ca -0.16 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.58 2aby n TYR 46 Cb 0.61 -3.18 0.00 0.00 -0.31 0.00 0.00 39.34 36.47 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 -0.80 2.38 3.67 2.72 0.00 -1.26 -5.01 105.19 106.90 2aby n GLY 47 Ca -0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.24 2.76 -0.08 1.61 -0.21 -0.40 -5.12 119.66 117.98 2aby s GLN 48 Ca 0.00 -0.63 0.03 0.00 0.02 0.00 0.00 55.36 54.79 2aby s GLN 48 Cb 0.00 -2.65 0.00 0.00 1.00 0.00 0.00 33.01 31.36 2aby s GLN 48 CO 0.00 0.62 -0.19 -1.59 -2.12 0.00 0.00 175.29 172.01 2aby s LYS 49 N -1.56 2.43 0.08 2.91 0.00 -1.26 -0.53 119.74 121.81 2aby s LYS 49 Ca 0.19 -0.69 0.03 0.00 0.00 0.00 0.00 55.97 55.51 2aby s LYS 49 Cb -0.11 -1.90 -0.03 0.00 0.00 0.00 0.00 37.83 35.78 2aby s LYS 49 CO 0.10 0.13 -0.09 0.71 0.00 0.00 0.00 175.35 176.21 2aby s TYR 50 N 0.42 0.90 -0.16 1.78 2.02 0.11 -4.98 117.35 117.45 2aby s TYR 50 Ca -0.16 -0.65 -0.06 0.00 -0.37 0.00 0.00 57.07 55.83 2aby s TYR 50 Cb -0.17 -0.51 -0.04 0.00 -0.40 0.00 0.00 41.96 40.84 2aby s TYR 50 CO 0.06 -0.06 0.05 -0.06 -1.57 0.00 0.00 175.55 173.98 2aby s PHE 51 N -2.26 3.25 0.04 2.71 0.40 -0.19 -0.65 117.98 121.28 2aby s PHE 51 Ca 0.01 0.10 0.03 0.00 -0.60 0.00 0.00 56.93 56.47 2aby s PHE 51 Cb -0.04 -2.02 -0.02 0.00 0.51 0.00 0.00 43.02 41.45 2aby s PHE 51 CO -0.01 0.23 -0.09 1.03 0.70 0.00 0.00 175.22 177.09 2aby s ARG 52 N 0.09 0.57 -0.04 0.44 3.00 -0.69 -0.94 118.95 121.39 2aby s ARG 52 Ca 0.05 -0.71 0.06 0.00 0.00 0.00 0.00 55.73 55.13 2aby s ARG 52 Cb -0.12 -0.41 -0.01 0.00 0.00 0.00 0.00 34.95 34.41 2aby s ARG 52 CO 0.01 0.08 -0.23 0.96 0.00 0.00 0.00 175.30 176.12 2aby s ILE 53 N -1.17 1.86 -0.22 1.52 -5.25 -0.33 -1.72 121.20 115.89 2aby s ILE 53 Ca -0.07 -0.98 -0.02 0.00 -0.99 0.00 0.00 60.65 58.60 2aby s ILE 53 Cb -0.09 -1.57 0.01 0.00 2.95 0.00 0.00 42.46 43.77 2aby s ILE 53 CO 0.01 0.52 -0.09 -0.22 -1.79 0.00 0.00 174.94 173.37 2aby s LEU 54 N -0.28 2.82 -0.16 0.37 0.20 -0.45 -1.73 118.68 119.44 2aby s LEU 54 Ca 0.01 -0.67 0.01 0.00 0.69 0.00 0.00 54.13 54.17 2aby s LEU 54 Cb -0.11 -1.64 0.02 0.00 -0.43 0.00 0.00 46.19 44.03 2aby s LEU 54 CO 0.02 -0.06 -0.19 0.12 -0.29 0.00 0.00 176.35 175.95 2aby s PHE 55 N 1.36 2.58 0.07 5.38 5.36 -0.65 -1.40 117.98 130.68 2aby s PHE 55 Ca 0.03 -1.48 0.03 0.00 -0.96 0.00 0.00 56.93 54.55 2aby s PHE 55 Cb -0.15 -1.81 -0.03 0.00 -0.34 0.00 0.00 43.02 40.69 2aby s PHE 55 CO -0.06 -0.74 -0.09 1.14 -1.46 0.00 0.00 175.22 174.01 2aby s GLN 56 N 1.27 0.68 0.50 10.12 -2.07 0.74 0.06 119.66 130.96 2aby s GLN 56 Ca 0.03 -0.96 0.03 0.00 -1.82 0.00 0.00 55.36 52.64 2aby s GLN 56 Cb -0.13 -0.40 -0.01 0.00 -1.09 0.00 0.00 33.01 31.38 2aby s GLN 56 CO -0.11 0.06 0.09 0.45 -1.32 0.00 0.00 175.29 174.47 2aby s SER 57 N -2.02 4.22 0.02 12.60 0.15 -1.25 -1.19 113.70 126.24 2aby s SER 57 Ca -0.02 -1.53 0.20 0.00 0.70 0.00 0.00 55.95 55.30 2aby s SER 57 Cb -0.06 0.38 -0.20 0.00 -1.71 0.00 0.00 66.02 64.43 2aby s SER 57 CO -0.00 -0.86 0.62 1.17 1.20 0.00 0.00 173.24 175.37 2aby n LYS 58 N -1.34 0.64 0.00 5.44 3.00 -1.26 -4.00 118.16 120.65 2aby n LYS 58 Ca -0.14 0.01 0.14 0.00 -0.00 0.00 0.00 58.31 58.32 2aby n LYS 58 Cb 0.66 -1.66 0.75 0.00 0.00 0.00 0.00 35.03 34.79 2aby n LYS 58 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2aby n LYS 59 N -2.59 0.56 -1.48 1.64 5.02 -1.26 -4.82 118.16 115.23 2aby n LYS 59 Ca -0.09 0.02 -0.44 0.00 -2.02 0.00 0.00 58.31 55.78 2aby n LYS 59 Cb 0.73 -1.50 -0.09 0.00 -0.02 0.00 0.00 35.03 34.15 2aby n LYS 59 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 2aby n LEU 60 N -1.19 1.44 -4.66 -0.35 -0.00 -0.66 -4.87 117.00 106.70 2aby n LEU 60 Ca 0.16 0.08 -0.30 0.00 -0.00 0.00 0.00 56.01 55.95 2aby n LEU 60 Cb 0.18 -1.21 -0.08 0.00 -0.00 0.00 0.00 43.42 42.31 2aby n LEU 60 CO 0.20 -0.98 -0.35 -0.44 -0.00 0.00 0.00 177.39 175.82 2aby s SER 61 N 9.25 4.89 0.15 1.96 0.01 -1.26 -5.03 113.70 123.67 2aby s SER 61 Ca 1.16 -0.21 -0.09 0.00 1.31 0.00 0.00 55.95 58.13 2aby s SER 61 Cb -0.85 -1.13 -0.03 0.00 0.21 0.00 0.00 66.02 64.22 2aby s SER 61 CO 0.44 0.19 1.44 -0.33 0.41 0.00 0.00 173.24 175.38 2aby h GLU 62 N 3.56 0.79 0.00 12.44 5.08 -2.00 -3.45 114.58 131.01 2aby h GLU 62 Ca -0.48 -0.50 -0.38 0.00 -1.00 0.00 0.00 59.36 57.00 2aby h GLU 62 Cb 1.17 0.06 0.15 0.00 0.50 0.00 0.00 28.75 30.62 2aby h GLU 62 CO 0.58 1.13 0.36 1.28 -1.00 0.00 0.00 179.01 181.36 2aby n LEU 63 N -4.00 0.00 -2.73 1.33 7.99 -1.26 -4.73 117.00 113.60 2aby n LEU 63 Ca -0.04 -1.32 -0.02 0.00 -0.01 0.00 0.00 56.01 54.62 2aby n LEU 63 Cb 0.62 -0.89 0.00 0.00 -0.11 0.00 0.00 43.42 43.04 2aby n LEU 63 CO 0.49 -1.33 0.21 1.57 -1.51 0.00 0.00 177.39 176.83 2aby n HIS 64 N -3.59 -2.59 0.18 -1.77 -0.00 -1.26 -4.93 115.22 101.26 2aby n HIS 64 Ca 0.15 1.01 0.04 0.00 0.46 0.00 0.00 57.72 59.37 2aby n HIS 64 Cb 0.51 -3.66 0.35 0.00 -0.12 0.00 0.00 29.99 27.08 2aby n HIS 64 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2aby h PRO 65 N 0.77 0.00 -0.16 1.57 0.13 -1.95 -2.93 132.00 129.42 2aby h PRO 65 Ca 0.00 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 65.18 2aby h PRO 65 Cb 0.95 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.07 2aby h PRO 65 CO 0.22 0.40 0.14 1.49 -0.23 0.00 0.00 178.00 180.02 2aby h GLU 66 N 0.00 0.00 -0.28 0.86 4.81 -2.00 -1.02 114.58 116.95 2aby h GLU 66 Ca -0.00 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.06 2aby h GLU 66 Cb 0.80 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.17 2aby h GLU 66 CO 0.05 0.00 -0.50 0.93 -0.73 0.00 0.00 179.01 178.77 2aby h GLU 67 N 0.00 0.77 -0.17 1.92 4.39 -1.88 -2.59 114.58 117.02 2aby h GLU 67 Ca 0.08 -0.46 0.05 0.00 0.34 0.00 0.00 59.36 59.37 2aby h GLU 67 Cb 0.36 0.04 -0.06 0.00 -0.10 0.00 0.00 28.75 28.99 2aby h GLU 67 CO -0.00 1.09 -0.20 0.00 -1.16 0.00 0.00 179.01 178.74 2aby h ARG 68 N 0.60 -0.22 -0.46 2.33 3.08 -1.32 0.37 114.38 118.76 2aby h ARG 68 Ca 0.03 0.02 -0.07 0.00 0.07 0.00 0.00 59.98 60.02 2aby h ARG 68 Cb 1.07 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 31.15 2aby h ARG 68 CO 0.11 -0.15 -0.02 1.57 -1.07 0.00 0.00 179.97 180.41 2aby h LYS 69 N -0.23 0.77 0.29 0.04 2.10 -1.58 -1.01 116.57 116.96 2aby h LYS 69 Ca 0.11 -0.21 -0.01 0.00 -2.00 0.00 0.00 60.65 58.54 2aby h LYS 69 Cb 0.40 -0.09 -0.00 0.00 -0.90 0.00 0.00 32.23 31.64 2aby h LYS 69 CO -0.30 0.79 -0.17 -0.22 -2.00 0.00 0.00 179.45 177.54 2aby h LYS 70 N 0.72 -0.43 -0.21 0.07 1.63 -0.90 -1.50 116.57 115.94 2aby h LYS 70 Ca 0.14 0.03 -0.08 0.00 -0.85 0.00 0.00 60.65 59.89 2aby h LYS 70 Cb 0.47 0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 32.18 2aby h LYS 70 CO 0.02 -0.28 -0.21 -0.39 -3.45 0.00 0.00 179.45 175.14 2aby h VAL 71 N -0.44 1.24 -0.07 2.00 -1.51 -0.89 -1.04 116.25 115.54 2aby h VAL 71 Ca -0.03 -1.10 0.00 0.00 -1.23 0.00 0.00 66.70 64.34 2aby h VAL 71 Cb 0.36 1.31 -0.00 0.00 -2.13 0.00 0.00 31.29 30.83 2aby h VAL 71 CO 0.04 0.35 0.05 0.03 -1.23 0.00 0.00 177.57 176.80 2aby h ARG 72 N 0.34 0.10 -0.10 5.19 2.47 -0.85 -0.74 114.38 120.78 2aby h ARG 72 Ca 0.06 -0.01 -0.17 0.00 -1.26 0.00 0.00 59.98 58.60 2aby h ARG 72 Cb 0.56 -0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.85 2aby h ARG 72 CO 0.04 0.06 -0.65 1.05 0.56 0.00 0.00 179.97 181.03 2aby h GLU 73 N 0.10 0.40 0.38 0.04 4.11 -1.17 -0.74 114.58 117.71 2aby h GLU 73 Ca 0.03 -0.29 -0.02 0.00 0.07 0.00 0.00 59.36 59.14 2aby h GLU 73 Cb -0.01 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.29 2aby h GLU 73 CO -0.01 0.92 -0.19 -0.22 0.07 0.00 0.00 179.01 179.58 2aby h LYS 74 N 0.29 -0.50 -0.11 1.06 3.11 -0.93 0.54 116.57 120.02 2aby h LYS 74 Ca -0.01 0.03 -0.15 0.00 -2.81 0.00 0.00 60.65 57.71 2aby h LYS 74 Cb 1.20 0.11 -0.01 0.00 -1.00 0.00 0.00 32.23 32.53 2aby h LYS 74 CO 0.11 -0.33 -0.59 0.27 -2.81 0.00 0.00 179.45 176.10 2aby h PHE 75 N -0.52 0.47 -0.03 1.91 -5.15 -1.19 -1.51 116.94 110.92 2aby h PHE 75 Ca -0.05 -0.18 -0.00 0.00 -0.20 0.00 0.00 57.97 57.54 2aby h PHE 75 Cb 0.40 -0.09 -0.00 0.00 0.22 0.00 0.00 35.95 36.48 2aby h PHE 75 CO -0.06 0.87 0.02 0.22 -2.00 0.00 0.00 178.31 177.36 2aby h ASP 76 N 0.28 0.04 -0.04 -0.68 3.58 -0.96 -1.07 116.42 117.57 2aby h ASP 76 Ca -0.00 -0.07 -0.01 0.00 0.42 0.00 0.00 57.03 57.36 2aby h ASP 76 Cb 1.11 -0.01 -0.00 0.00 1.72 0.00 0.00 39.33 42.15 2aby h ASP 76 CO 0.10 0.10 -0.03 -0.33 -2.88 0.00 0.00 179.24 176.20 2aby h GLU 77 N -0.03 0.09 -0.97 0.28 5.08 -0.91 -1.39 114.58 116.74 2aby h GLU 77 Ca 0.01 -0.05 0.19 0.00 -1.00 0.00 0.00 59.36 58.51 2aby h GLU 77 Cb 0.07 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.23 2aby h GLU 77 CO -0.00 0.54 0.61 -0.91 -1.00 0.00 0.00 179.01 178.25 2aby h ASN 78 N -0.36 0.67 -0.02 1.42 4.21 -1.26 0.37 115.58 120.60 2aby h ASN 78 Ca 0.01 0.07 -0.16 0.00 1.21 0.00 0.00 56.30 57.43 2aby h ASN 78 Cb 0.53 -0.05 0.01 0.00 -1.12 0.00 0.00 38.32 37.69 2aby h ASN 78 CO 0.01 0.26 -0.61 0.28 -1.29 0.00 0.00 177.43 176.09 2aby h SER 79 N 0.67 0.57 0.51 5.81 0.02 -1.14 -3.11 113.55 116.87 2aby h SER 79 Ca 0.53 -0.74 0.00 0.00 -0.84 0.00 0.00 61.79 60.74 2aby h SER 79 Cb 0.95 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.32 2aby h SER 79 CO -0.29 1.23 0.00 -2.11 -1.14 0.00 0.00 176.83 174.51 2aby n ARG 80 N -4.20 0.07 -1.26 3.45 -4.01 -0.50 -4.86 116.66 105.35 2aby n ARG 80 Ca -0.10 0.19 -0.39 0.00 -1.04 0.00 0.00 57.85 56.51 2aby n ARG 80 Cb 0.67 -1.50 0.02 0.00 -3.04 0.00 0.00 32.46 28.60 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 0.05 -0.68 2.89 2.81 0.12 -4.86 117.12 116.01 2aby n MET 81 Ca 0.05 0.02 -0.32 0.00 -1.81 0.00 0.00 57.70 55.65 2aby n MET 81 Cb 0.18 -1.08 0.17 0.00 -0.71 0.00 0.00 33.22 31.78 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 1.38 -1.15 -0.03 0.03 6.02 -1.26 -4.67 117.38 117.69 2aby n GLN 82 Ca 0.08 -0.30 -0.02 0.00 -0.01 0.00 0.00 57.00 56.74 2aby n GLN 82 Cb 0.48 -1.93 0.24 0.00 1.02 0.00 0.00 30.24 30.04 2aby n GLN 82 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 177.06 175.13 2aby h TYR 83 N -1.99 0.62 0.21 1.08 5.03 -1.98 -1.30 116.97 118.65 2aby h TYR 83 Ca -0.50 -0.08 -0.01 0.00 2.58 0.00 0.00 58.73 60.72 2aby h TYR 83 Cb 1.32 -0.17 -0.00 0.00 1.55 0.00 0.00 36.73 39.42 2aby h TYR 83 CO 0.30 0.64 -0.12 1.03 -1.32 0.00 0.00 178.16 178.69 2aby h SER 84 N 0.55 -0.30 -0.40 -2.11 0.87 -1.99 -0.51 113.55 109.66 2aby h SER 84 Ca 0.11 0.02 -0.10 0.00 -1.23 0.00 0.00 61.79 60.59 2aby h SER 84 Cb 0.44 0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.47 2aby h SER 84 CO 0.02 -0.20 -0.11 -0.08 -0.53 0.00 0.00 176.83 175.93 2aby h GLU 85 N -0.32 0.85 -0.59 2.24 4.57 -1.88 0.59 114.58 120.05 2aby h GLU 85 Ca -0.02 -0.29 0.01 0.00 -1.18 0.00 0.00 59.36 57.88 2aby h GLU 85 Cb 0.26 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 28.75 2aby h GLU 85 CO 0.03 0.92 0.38 1.25 -1.18 0.00 0.00 179.01 180.41 2aby h LEU 86 N 0.77 0.65 0.00 1.64 7.12 -0.99 0.22 115.31 124.71 2aby h LEU 86 Ca 0.13 -0.01 -0.23 0.00 0.13 0.00 0.00 57.88 57.90 2aby h LEU 86 Cb 0.61 -0.15 -0.04 0.00 -0.53 0.00 0.00 40.66 40.55 2aby h LEU 86 CO 0.04 0.46 -1.22 0.24 -0.13 0.00 0.00 178.44 177.84 2aby h MET 87 N 0.77 0.00 -0.05 1.25 2.86 -0.95 -3.25 114.93 115.55 2aby h MET 87 Ca 0.22 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.85 2aby h MET 87 Cb -0.06 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.60 2aby h MET 87 CO -0.06 0.75 -0.02 1.15 1.06 0.00 0.00 176.91 179.79 2aby h THR 88 N 0.00 1.32 0.00 2.22 2.02 0.51 0.30 112.91 119.28 2aby h THR 88 Ca -0.11 -1.01 0.00 0.00 0.77 0.00 0.00 66.41 66.07 2aby h THR 88 Cb 1.81 1.88 0.00 0.00 -1.74 0.00 0.00 68.15 70.10 2aby h THR 88 CO 0.10 0.27 0.00 1.17 0.37 0.00 0.00 175.52 177.44 2aby n LYS 89 N -4.81 0.07 -0.12 6.66 3.00 0.75 0.44 118.16 124.14 2aby n LYS 89 Ca -0.07 0.37 -0.23 0.00 -0.00 0.00 0.00 58.31 58.38 2aby n LYS 89 Cb 0.24 -1.64 -0.12 0.00 0.00 0.00 0.00 35.03 33.51 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 -1.77 0.20 -0.08 5.64 9.36 -1.05 -4.10 117.16 125.36 2aby n TYR 90 Ca 0.02 0.06 -0.06 0.00 3.32 0.00 0.00 57.90 61.24 2aby n TYR 90 Cb 0.15 -1.02 -0.02 0.00 -0.63 0.00 0.00 39.34 37.81 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 -3.69 0.72 0.10 2.98 -0.00 0.10 -2.31 115.22 113.14 2aby n HIS 91 Ca -0.47 0.31 0.19 0.00 0.46 0.00 0.00 57.72 58.22 2aby n HIS 91 Cb 0.94 -0.72 0.76 0.00 -0.12 0.00 0.00 29.99 30.86 2aby n HIS 91 CO 0.00 0.00 0.00 0.22 0.46 0.00 0.00 176.34 177.02 2aby h ASP 92 N -1.00 0.00 0.38 0.26 1.82 -0.15 0.18 116.42 117.90 2aby h ASP 92 Ca -0.01 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.63 2aby h ASP 92 Cb 0.63 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.64 2aby h ASP 92 CO -0.00 0.00 -1.62 -0.11 -1.61 0.00 0.00 179.24 175.89 2aby n LEU 93 N -3.89 0.32 0.04 2.28 0.00 -0.79 -4.18 117.00 110.78 2aby n LEU 93 Ca 0.06 0.12 0.21 0.00 0.00 0.00 0.00 56.01 56.40 2aby n LEU 93 Cb 0.53 -0.02 0.73 0.00 0.00 0.00 0.00 43.42 44.65 2aby n LEU 93 CO 0.30 -0.07 1.19 0.50 0.00 0.00 0.00 177.39 179.30 2aby h LYS 94 N 0.00 0.00 0.03 1.96 3.11 -0.22 0.11 116.57 121.56 2aby h LYS 94 Ca -0.00 0.00 -0.04 0.00 -2.81 0.00 0.00 60.65 57.80 2aby h LYS 94 Cb 1.00 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.24 2aby h LYS 94 CO 0.00 0.00 -0.19 -0.22 -2.81 0.00 0.00 179.45 176.23 2aby h LYS 95 N 0.00 0.08 0.00 1.90 3.11 -1.72 -3.29 116.57 116.65 2aby h LYS 95 Ca 0.23 -0.12 -0.02 0.00 -2.81 0.00 0.00 60.65 57.92 2aby h LYS 95 Cb 1.04 0.04 -0.00 0.00 -1.00 0.00 0.00 32.23 32.31 2aby h LYS 95 CO -0.00 1.00 -0.12 1.96 -2.81 0.00 0.00 179.45 179.48 2aby h GLN 96 N -0.77 0.00 0.00 1.90 4.20 -1.48 -3.45 115.11 115.50 2aby h GLN 96 Ca -0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.68 2aby h GLN 96 Cb 1.09 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.87 2aby h GLN 96 CO 0.04 0.12 0.00 0.41 -0.67 0.00 0.00 178.83 178.72 2aby n GLY 97 N -0.79 5.32 3.26 3.46 0.00 0.28 -5.13 105.19 111.59 2aby n GLY 97 Ca -0.02 -1.37 -0.11 0.00 0.00 0.00 0.00 46.02 44.52 2aby n GLY 97 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2aby s LYS 98 N 2.33 0.88 -0.03 1.61 0.00 -1.26 -4.76 119.74 118.52 2aby s LYS 98 Ca 0.00 -0.63 -0.05 0.00 0.00 0.00 0.00 55.97 55.30 2aby s LYS 98 Cb 0.00 0.38 0.01 0.00 0.00 0.00 0.00 37.83 38.22 2aby s LYS 98 CO 0.00 -0.30 0.11 -1.50 0.00 0.00 0.00 175.35 173.66 2aby s ILE 99 N -3.08 0.03 -0.01 3.79 2.07 -1.26 -4.58 121.20 118.15 2aby s ILE 99 Ca -0.01 -0.25 0.06 0.00 -1.41 0.00 0.00 60.65 59.03 2aby s ILE 99 Cb 0.01 -0.25 -0.01 0.00 0.13 0.00 0.00 42.46 42.34 2aby s ILE 99 CO -0.07 -0.14 -0.19 -0.54 -1.91 0.00 0.00 174.94 172.09 2aby s LYS 100 N -0.43 1.57 -0.77 3.50 -0.14 -1.26 -5.07 119.74 117.14 2aby s LYS 100 Ca -0.05 -0.69 -0.09 0.00 -1.36 0.00 0.00 55.97 53.77 2aby s LYS 100 Cb -0.03 -1.52 0.20 0.00 -1.68 0.00 0.00 37.83 34.80 2aby s LYS 100 CO 0.00 0.42 0.66 0.34 -0.76 0.00 0.00 175.35 176.01 2aby s ASP 101 N -0.46 6.17 0.68 2.83 2.15 -1.26 -4.84 116.67 121.95 2aby s ASP 101 Ca 0.07 -2.83 -0.11 0.00 0.43 0.00 0.00 52.55 50.12 2aby s ASP 101 Cb -0.07 -2.07 0.00 0.00 -0.30 0.00 0.00 42.92 40.48 2aby s ASP 101 CO -0.01 -0.47 1.06 -0.13 -0.17 0.00 0.00 175.17 175.45 2aby s ARG 102 N -0.04 3.04 0.31 4.34 3.00 -1.26 -5.01 118.95 123.34 2aby s ARG 102 Ca 0.18 0.91 -0.29 0.00 0.00 0.00 0.00 55.73 56.54 2aby s ARG 102 Cb -0.14 -2.00 -0.10 0.00 0.00 0.00 0.00 34.95 32.71 2aby s ARG 102 CO -0.07 -1.01 1.23 -1.25 0.00 0.00 0.00 175.30 174.19 2aby s PRO 103 N -5.07 4.45 0.22 3.54 0.04 -1.26 -4.99 135.00 131.93 2aby s PRO 103 Ca 0.58 2.05 -0.30 0.00 0.04 0.00 0.00 61.00 63.37 2aby s PRO 103 Cb -0.13 -3.10 -0.09 0.00 0.04 0.00 0.00 34.50 31.22 2aby s PRO 103 CO 0.55 -0.04 1.23 0.54 0.04 0.00 0.00 177.00 179.31 2aby s VAL 104 N -1.16 3.36 0.06 -0.36 0.11 -1.26 -4.90 120.40 116.26 2aby s VAL 104 Ca 0.47 1.19 -0.22 0.00 -2.93 0.00 0.00 61.98 60.50 2aby s VAL 104 Cb -0.37 -3.76 -0.06 0.00 -1.53 0.00 0.00 36.38 30.66 2aby s VAL 104 CO 0.48 0.21 0.65 -0.75 -3.33 0.00 0.00 175.10 172.36 2aby s LYS 105 N -0.56 4.35 0.22 1.54 2.36 -0.75 -4.81 119.74 122.09 2aby s LYS 105 Ca 0.52 0.87 -0.30 0.00 -2.55 0.00 0.00 55.97 54.51 2aby s LYS 105 Cb -0.34 -3.29 -0.08 0.00 -1.05 0.00 0.00 37.83 33.06 2aby s LYS 105 CO 0.40 0.49 1.05 -1.21 1.55 0.00 0.00 175.35 177.63 2aby s GLU 106 N -0.68 4.68 -0.07 4.03 8.01 -1.26 0.45 118.70 133.85 2aby s GLU 106 Ca 0.32 1.67 -0.00 0.00 0.01 0.00 0.00 54.97 56.97 2aby s GLU 106 Cb -0.20 -3.26 -0.03 0.00 -4.31 0.00 0.00 34.13 26.33 2aby s GLU 106 CO 0.20 0.23 -0.03 0.08 0.01 0.00 0.00 175.26 175.75 2aby s VAL 107 N -0.71 3.99 0.44 2.63 1.01 -0.17 -4.85 120.40 122.73 2aby s VAL 107 Ca 0.46 -0.39 0.03 0.00 0.00 0.00 0.00 61.98 62.08 2aby s VAL 107 Cb -0.29 -2.66 -0.03 0.00 0.00 0.00 0.00 36.38 33.40 2aby s VAL 107 CO 0.36 0.59 0.06 -1.38 0.00 0.00 0.00 175.10 174.72 2aby s HIS 108 N -0.86 1.91 -0.17 5.22 -3.43 -1.26 -4.14 115.29 112.57 2aby s HIS 108 Ca 0.13 -1.05 -0.29 0.00 -0.80 0.00 0.00 55.06 53.05 2aby s HIS 108 Cb -0.11 -1.42 -0.00 0.00 -1.43 0.00 0.00 32.58 29.62 2aby s HIS 108 CO 0.02 0.02 1.06 -1.21 -2.00 0.00 0.00 174.74 172.64 2aby s GLU 109 N -3.80 4.32 0.00 -0.38 8.01 -1.26 -4.93 118.70 120.66 2aby s GLU 109 Ca 0.19 1.42 0.00 0.00 0.01 0.00 0.00 54.97 56.59 2aby s GLU 109 Cb 0.04 -3.61 0.00 0.00 -4.31 0.00 0.00 34.13 26.24 2aby s GLU 109 CO 0.10 -0.52 0.00 -1.91 0.01 0.00 0.00 175.26 172.94 2aby n GLU 110 N 5.84 -0.93 -3.97 1.61 2.13 -1.26 -5.10 120.64 118.97 2aby n GLU 110 Ca 0.11 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.63 2aby n GLU 110 Cb 0.47 0.00 -0.14 0.00 0.27 0.00 0.00 31.44 32.03 2aby n GLU 110 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 2aby s TYR 111 N -3.00 3.36 0.12 4.31 1.51 -1.26 -4.86 117.35 117.52 2aby s TYR 111 Ca 0.00 -3.03 0.00 0.00 -1.01 0.00 0.00 57.07 53.03 2aby s TYR 111 Cb 0.00 -2.80 0.00 0.00 -0.11 0.00 0.00 41.96 39.05 2aby s TYR 111 CO 0.00 -0.84 0.00 -3.47 -1.11 0.00 0.00 175.55 170.13 2aby n ASP 112 N 3.70 -0.53 -3.19 2.29 -0.08 -1.26 -5.13 116.55 112.34 2aby n ASP 112 Ca 0.04 0.21 -0.17 0.00 -1.51 0.00 0.00 54.79 53.36 2aby n ASP 112 Cb 0.37 0.66 0.17 0.00 2.34 0.00 0.00 41.12 44.66 2aby n ASP 112 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2aby n LEU 113 N -2.81 0.00 -0.21 -2.67 4.32 -1.26 -4.89 117.00 109.48 2aby n LEU 113 Ca 0.00 -0.49 -0.07 0.00 -0.02 0.00 0.00 56.01 55.43 2aby n LEU 113 Cb 0.00 -0.61 0.07 0.00 -1.62 0.00 0.00 43.42 41.27 2aby n LEU 113 CO 0.00 -2.29 0.90 -0.50 -1.22 0.00 0.00 177.39 174.28 2aby h TRP 114 N -2.89 1.10 -6.55 -1.77 -0.00 -2.00 -3.47 115.95 100.38 2aby h TRP 114 Ca -0.22 -0.15 -0.44 0.00 -0.00 0.00 0.00 58.89 58.08 2aby h TRP 114 Cb 0.75 -0.30 0.00 0.00 -0.00 0.00 0.00 29.16 29.61 2aby h TRP 114 CO 0.00 0.94 -0.99 -0.85 -0.00 0.00 0.00 178.44 177.53 2aby n GLU 115 N -4.21 -1.38 0.00 0.49 0.28 -1.26 -4.63 120.64 109.92 2aby n GLU 115 Ca 0.04 0.68 0.00 0.00 -0.16 0.00 0.00 57.16 57.72 2aby n GLU 115 Cb 0.29 -1.94 0.00 0.00 1.43 0.00 0.00 31.44 31.22 2aby n GLU 115 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 2aby n ASP 116 N -2.18 -0.06 0.15 -1.84 2.03 -1.26 -4.90 116.55 108.48 2aby n ASP 116 Ca -0.28 0.44 -0.12 0.00 0.52 0.00 0.00 54.79 55.35 2aby n ASP 116 Cb 0.62 0.48 -0.07 0.00 -0.72 0.00 0.00 41.12 41.43 2aby n ASP 116 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2aby h PRO 117 N 0.00 -0.43 0.00 -0.67 0.13 -1.91 -3.28 132.00 125.85 2aby h PRO 117 Ca 0.00 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 2aby h PRO 117 Cb 0.00 0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.23 2aby h PRO 117 CO 0.00 -0.10 -0.22 0.44 -0.23 0.00 0.00 178.00 177.89 2aby n ILE 118 N -5.10 0.07 0.28 -3.56 -6.64 -1.25 -3.49 119.36 99.67 2aby n ILE 118 Ca -0.09 -0.04 0.13 0.00 -1.77 0.00 0.00 62.75 60.98 2aby n ILE 118 Cb 0.27 -0.22 0.83 0.00 -1.44 0.00 0.00 39.64 39.07 2aby n ILE 118 CO 0.00 0.00 0.00 -0.25 -1.77 0.00 0.00 176.55 174.53 2aby h TRP 119 N 0.00 0.00 0.00 4.28 7.01 -1.91 -3.36 115.95 121.98 2aby h TRP 119 Ca 0.00 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.00 2aby h TRP 119 Cb 0.53 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.59 2aby h TRP 119 CO 0.00 0.02 0.00 0.94 -2.79 0.00 0.00 178.44 176.61 2aby n GLN 120 N -3.99 0.00 -3.51 2.65 7.27 -1.24 -4.97 117.38 113.58 2aby n GLN 120 Ca -0.03 0.00 -0.13 0.00 0.07 0.00 0.00 57.00 56.91 2aby n GLN 120 Cb 0.10 -0.26 -0.05 0.00 2.41 0.00 0.00 30.24 32.44 2aby n GLN 120 CO 0.00 0.00 0.00 2.48 0.07 0.00 0.00 177.06 179.61 2aby n TYR 121 N -2.41 -0.59 0.00 3.69 4.11 -1.23 -5.11 117.16 115.63 2aby n TYR 121 Ca 0.00 -1.91 0.00 0.00 -0.00 0.00 0.00 57.90 55.99 2aby n TYR 121 Cb 0.00 0.21 0.00 0.00 -0.00 0.00 0.00 39.34 39.55 2aby n TYR 121 CO 0.00 0.00 0.00 0.44 -0.00 0.00 0.00 176.86 177.30