#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 0.82 -1.73 2.12 3.00 -1.26 -4.94 117.38 115.39 2aby n GLN 2 Ca 0.00 -0.11 -0.42 0.00 -0.01 0.00 0.00 57.00 56.46 2aby n GLN 2 Cb 0.00 -1.42 -0.02 0.00 0.00 0.00 0.00 30.24 28.79 2aby n GLN 2 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 2aby n LYS 3 N -2.30 2.66 0.00 -1.09 4.81 -1.26 -3.38 118.16 117.60 2aby n LYS 3 Ca -0.12 0.95 0.00 0.00 -0.87 0.00 0.00 58.31 58.27 2aby n LYS 3 Cb 0.68 -2.75 0.00 0.00 0.02 0.00 0.00 35.03 32.98 2aby n LYS 3 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2aby n GLY 4 N 2.82 1.37 3.12 3.14 0.00 -1.26 -5.00 105.19 109.38 2aby n GLY 4 Ca 0.12 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.05 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 0.00 2.49 -0.16 0.99 2.01 -1.22 -3.98 118.68 118.82 2aby s LEU 5 Ca 0.00 -0.99 -0.01 0.00 0.01 0.00 0.00 54.13 53.15 2aby s LEU 5 Cb 0.00 0.09 -0.01 0.00 0.01 0.00 0.00 46.19 46.29 2aby s LEU 5 CO 0.00 -0.54 -0.12 -1.83 1.01 0.00 0.00 176.35 174.87 2aby s GLU 6 N -3.80 3.34 -0.01 1.70 -1.05 -1.26 -2.89 118.70 114.73 2aby s GLU 6 Ca 0.08 -0.69 -0.04 0.00 -0.15 0.00 0.00 54.97 54.18 2aby s GLU 6 Cb 0.06 -2.72 -0.00 0.00 -0.44 0.00 0.00 34.13 31.03 2aby s GLU 6 CO -0.08 0.06 0.07 0.96 0.95 0.00 0.00 175.26 177.22 2aby s ILE 7 N 0.75 0.06 0.04 1.83 -0.00 0.13 -4.98 121.20 119.03 2aby s ILE 7 Ca -0.05 -0.50 0.08 0.00 -0.00 0.00 0.00 60.65 60.18 2aby s ILE 7 Cb -0.15 -0.27 -0.03 0.00 -0.00 0.00 0.00 42.46 42.00 2aby s ILE 7 CO 0.01 -0.27 -0.21 0.00 -0.00 0.00 0.00 174.94 174.47 2aby s ALA 8 N -0.88 2.47 -0.03 2.27 0.00 -1.26 -1.17 121.76 123.16 2aby s ALA 8 Ca -0.10 -1.23 0.05 0.00 0.00 0.00 0.00 51.96 50.68 2aby s ALA 8 Cb -0.06 -0.64 -0.01 0.00 0.00 0.00 0.00 23.12 22.42 2aby s ALA 8 CO 0.00 0.56 -0.18 0.12 0.00 0.00 0.00 175.76 176.26 2aby s PHE 9 N -0.89 1.70 0.07 0.00 5.36 -0.68 -4.75 117.98 118.80 2aby s PHE 9 Ca 0.14 -0.42 0.02 0.00 -0.96 0.00 0.00 56.93 55.71 2aby s PHE 9 Cb -0.10 -1.12 -0.04 0.00 -0.34 0.00 0.00 43.02 41.41 2aby s PHE 9 CO 0.04 -0.11 0.11 -1.14 -1.46 0.00 0.00 175.22 172.66 2aby s GLN 10 N -0.17 3.02 -0.10 10.12 0.74 -1.26 -1.51 119.66 130.51 2aby s GLN 10 Ca 0.01 -0.62 -0.17 0.00 0.05 0.00 0.00 55.36 54.63 2aby s GLN 10 Cb -0.10 -2.81 0.04 0.00 1.10 0.00 0.00 33.01 31.24 2aby s GLN 10 CO 0.01 0.58 0.42 -0.08 -0.55 0.00 0.00 175.29 175.67 2aby s THR 11 N -1.41 0.02 0.06 -0.34 -1.32 -0.22 -4.73 115.64 107.70 2aby s THR 11 Ca 0.30 -0.16 0.00 0.00 -1.21 0.00 0.00 61.69 60.62 2aby s THR 11 Cb -0.12 -0.66 0.00 0.00 -1.51 0.00 0.00 72.50 70.21 2aby s THR 11 CO 0.23 -0.09 0.00 -0.38 -2.21 0.00 0.00 174.62 172.17 2aby n ILE 12 N 2.08 0.00 -1.56 5.08 -0.00 -1.26 -0.52 119.36 123.18 2aby n ILE 12 Ca -0.17 0.00 -0.40 0.00 -0.00 0.00 0.00 62.75 62.18 2aby n ILE 12 Cb 0.57 -0.10 0.02 0.00 -0.00 0.00 0.00 39.64 40.13 2aby n ILE 12 CO 0.00 0.00 0.00 0.59 -0.00 0.00 0.00 176.55 177.14 2aby n ASN 13 N -2.70 0.42 0.09 4.38 3.02 -1.26 -4.81 115.26 114.40 2aby n ASN 13 Ca 0.00 0.92 0.20 0.00 -0.03 0.00 0.00 54.58 55.67 2aby n ASN 13 Cb 0.00 -1.29 0.75 0.00 -0.61 0.00 0.00 39.78 38.63 2aby n ASN 13 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 2aby h GLY 14 N 1.01 0.00 1.11 7.41 0.00 -2.02 0.26 103.07 110.84 2aby h GLY 14 Ca -0.45 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 46.75 2aby h GLY 14 CO 0.53 0.00 -0.22 -2.00 0.00 0.00 0.00 176.54 174.85 2aby h LEU 15 N 0.00 1.03 -1.64 3.11 7.12 -2.04 -2.89 115.31 120.00 2aby h LEU 15 Ca 0.19 -0.40 0.18 0.00 0.13 0.00 0.00 57.88 57.98 2aby h LEU 15 Cb 1.02 -0.28 -0.05 0.00 -0.53 0.00 0.00 40.66 40.81 2aby h LEU 15 CO -0.00 1.20 0.53 0.44 -0.13 0.00 0.00 178.44 180.48 2aby h ASP 16 N 0.86 0.32 -0.69 1.25 3.32 -1.26 -1.11 116.42 119.10 2aby h ASP 16 Ca 0.11 0.02 0.14 0.00 0.02 0.00 0.00 57.03 57.32 2aby h ASP 16 Cb 0.80 -0.04 -0.10 0.00 0.22 0.00 0.00 39.33 40.22 2aby h ASP 16 CO 0.07 0.15 0.19 -0.08 -1.72 0.00 0.00 179.24 177.85 2aby h GLU 17 N 0.33 0.31 -0.99 3.56 4.81 -1.56 0.73 114.58 121.77 2aby h GLU 17 Ca 0.39 -0.02 0.13 0.00 -0.13 0.00 0.00 59.36 59.73 2aby h GLU 17 Cb 1.04 -0.07 -0.09 0.00 0.63 0.00 0.00 28.75 30.26 2aby h GLU 17 CO -0.11 0.20 0.62 1.03 -0.73 0.00 0.00 179.01 180.02 2aby h SER 18 N 0.31 0.88 -0.27 1.04 0.87 -1.35 -0.72 113.55 114.32 2aby h SER 18 Ca 0.38 0.05 -0.17 0.00 -1.23 0.00 0.00 61.79 60.83 2aby h SER 18 Cb 0.60 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 62.43 2aby h SER 18 CO -0.44 0.45 -0.46 0.25 -0.53 0.00 0.00 176.83 176.10 2aby h LEU 19 N 0.94 0.92 0.31 2.23 6.46 -0.99 -0.31 115.31 124.87 2aby h LEU 19 Ca 0.50 -0.45 -0.02 0.00 -0.12 0.00 0.00 57.88 57.80 2aby h LEU 19 Cb 0.56 -0.26 0.00 0.00 -0.73 0.00 0.00 40.66 40.23 2aby h LEU 19 CO -0.27 1.23 -0.15 0.58 -0.62 0.00 0.00 178.44 179.21 2aby h VAL 20 N 0.67 0.70 -0.44 1.05 2.07 -0.04 0.38 116.25 120.65 2aby h VAL 20 Ca 0.04 -0.06 -0.09 0.00 0.82 0.00 0.00 66.70 67.41 2aby h VAL 20 Cb 1.04 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 2aby h VAL 20 CO 0.10 0.01 -0.10 1.56 0.02 0.00 0.00 177.57 179.17 2aby h GLN 21 N -0.45 0.84 0.26 1.57 1.08 -1.27 -0.75 115.11 116.40 2aby h GLN 21 Ca -0.04 -0.32 -0.01 0.00 -1.45 0.00 0.00 58.65 56.83 2aby h GLN 21 Cb 0.34 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.72 2aby h GLN 21 CO 0.07 0.95 -0.13 0.00 -0.95 0.00 0.00 178.83 178.77 2aby h ALA 22 N 0.87 -0.35 -0.33 3.87 0.00 -0.95 -1.08 119.26 121.28 2aby h ALA 22 Ca 0.11 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2aby h ALA 22 Cb 0.63 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 2aby h ALA 22 CO 0.04 -0.64 0.08 1.37 0.00 0.00 0.00 179.25 180.10 2aby h LEU 23 N -0.47 0.44 -0.37 0.00 8.10 -0.24 -1.08 115.31 121.68 2aby h LEU 23 Ca -0.04 -0.06 -0.05 0.00 0.11 0.00 0.00 57.88 57.85 2aby h LEU 23 Cb 0.35 -0.11 -0.01 0.00 -0.44 0.00 0.00 40.66 40.44 2aby h LEU 23 CO 0.06 0.45 0.04 0.00 -4.11 0.00 0.00 178.44 174.88 2aby h ALA 24 N 1.61 0.50 -0.12 0.17 0.00 -0.91 -1.46 119.26 119.05 2aby h ALA 24 Ca 0.11 -0.23 -0.15 0.00 0.00 0.00 0.00 54.91 54.65 2aby h ALA 24 Cb 0.19 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2aby h ALA 24 CO -0.00 0.23 -0.56 0.78 0.00 0.00 0.00 179.25 179.70 2aby h GLY 25 N 0.46 0.38 0.61 0.00 0.00 -0.84 -1.76 103.07 101.93 2aby h GLY 25 Ca 0.11 -0.45 -0.00 0.00 0.00 0.00 0.00 47.33 46.99 2aby h GLY 25 CO 0.01 0.40 -0.04 -2.08 0.00 0.00 0.00 176.54 174.83 2aby h VAL 26 N 0.27 1.14 -0.46 4.60 2.07 -1.11 0.22 116.25 122.98 2aby h VAL 26 Ca 0.00 -0.85 -0.03 0.00 0.82 0.00 0.00 66.70 66.64 2aby h VAL 26 Cb 1.06 1.68 -0.02 0.00 -1.52 0.00 0.00 31.29 32.49 2aby h VAL 26 CO 0.09 0.21 0.16 0.00 0.02 0.00 0.00 177.57 178.05 2aby h THR 27 N -0.50 1.21 -0.51 2.57 1.03 -1.32 0.26 112.91 115.65 2aby h THR 27 Ca -0.01 -0.69 -0.08 0.00 -0.01 0.00 0.00 66.41 65.62 2aby h THR 27 Cb 0.43 0.81 -0.02 0.00 -1.07 0.00 0.00 68.15 68.30 2aby h THR 27 CO 0.02 0.25 0.00 0.00 -0.01 0.00 0.00 175.52 175.78 2aby h ALA 28 N 1.01 1.05 -0.01 0.00 0.00 -1.35 0.11 119.26 120.06 2aby h ALA 28 Ca 0.15 -0.27 -0.20 0.00 0.00 0.00 0.00 54.91 54.58 2aby h ALA 28 Cb 0.23 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2aby h ALA 28 CO -0.01 0.59 -0.86 1.03 0.00 0.00 0.00 179.25 180.00 2aby h SER 29 N 0.79 0.38 1.77 0.00 0.87 -0.71 -3.11 113.55 113.54 2aby h SER 29 Ca 0.15 -0.29 0.00 0.00 -1.23 0.00 0.00 61.79 60.42 2aby h SER 29 Cb 0.47 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.32 2aby h SER 29 CO 0.02 1.08 -0.01 -0.78 -0.53 0.00 0.00 176.83 176.61 2aby h ASP 30 N 0.18 0.00 -2.83 6.23 3.58 -0.27 -3.37 116.42 119.94 2aby h ASP 30 Ca -0.05 -0.00 -0.69 0.00 0.42 0.00 0.00 57.03 56.71 2aby h ASP 30 Cb 1.48 0.00 -0.37 0.00 1.72 0.00 0.00 39.33 42.16 2aby h ASP 30 CO 0.14 0.00 -0.11 0.49 -2.88 0.00 0.00 179.24 176.89 2aby n PHE 31 N -2.74 3.54 0.35 0.28 3.72 0.37 -4.86 117.46 118.11 2aby n PHE 31 Ca 0.05 -3.82 0.14 0.00 -0.05 0.00 0.00 57.45 53.77 2aby n PHE 31 Cb 0.49 -0.93 0.57 0.00 -0.94 0.00 0.00 39.48 38.67 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 5.20 0.00 0.00 -1.08 0.13 -1.73 -2.81 132.00 131.71 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 0.95 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.47 2aby n ASP 33 N -2.56 0.56 -0.54 1.44 8.00 -1.26 -4.82 116.55 117.37 2aby n ASP 33 Ca 0.01 0.70 -0.07 0.00 0.71 0.00 0.00 54.79 56.14 2aby n ASP 33 Cb 0.25 -0.79 -0.03 0.00 -0.02 0.00 0.00 41.12 40.53 2aby n ASP 33 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2aby n LEU 34 N -2.18 -0.14 -0.07 0.64 4.77 -1.06 -4.83 117.00 114.14 2aby n LEU 34 Ca 0.00 0.17 0.15 0.00 -0.03 0.00 0.00 56.01 56.31 2aby n LEU 34 Cb 0.12 -2.06 0.78 0.00 -2.33 0.00 0.00 43.42 39.94 2aby n LEU 34 CO 0.14 -0.75 1.01 0.47 -1.33 0.00 0.00 177.39 176.93 2aby n ASP 35 N -0.58 0.25 -4.66 -1.43 9.92 -1.26 -4.82 116.55 113.97 2aby n ASP 35 Ca -0.07 -0.73 -0.43 0.00 -0.53 0.00 0.00 54.79 53.04 2aby n ASP 35 Cb 0.42 -0.09 -0.02 0.00 -0.64 0.00 0.00 41.12 40.79 2aby n ASP 35 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 2aby s ILE 36 N -2.26 4.07 -0.83 0.53 2.07 -1.26 -3.57 121.20 119.96 2aby s ILE 36 Ca 0.38 1.31 0.01 0.00 -1.41 0.00 0.00 60.65 60.94 2aby s ILE 36 Cb 0.21 -3.85 0.22 0.00 0.13 0.00 0.00 42.46 39.18 2aby s ILE 36 CO 0.41 -0.10 0.78 0.29 -1.91 0.00 0.00 174.94 174.42 2aby n LYS 37 N 6.55 2.62 -4.68 3.50 4.01 0.53 -5.02 118.16 125.66 2aby n LYS 37 Ca 0.14 -4.53 -0.30 0.00 -0.51 0.00 0.00 58.31 53.11 2aby n LYS 37 Cb 0.44 -2.36 -0.09 0.00 -0.51 0.00 0.00 35.03 32.51 2aby n LYS 37 CO 0.00 0.00 0.00 1.52 -1.11 0.00 0.00 177.40 177.81 2aby s TYR 38 N -1.76 2.03 -0.12 2.13 1.13 -1.26 0.07 117.35 119.57 2aby s TYR 38 Ca 0.30 -0.92 -0.32 0.00 -1.41 0.00 0.00 57.07 54.71 2aby s TYR 38 Cb -0.01 -1.58 0.13 0.00 -1.10 0.00 0.00 41.96 39.39 2aby s TYR 38 CO -0.09 0.21 1.08 0.54 -2.51 0.00 0.00 175.55 174.78 2aby s ASN 39 N -3.78 -0.23 -0.16 -0.18 4.22 0.41 -4.97 114.94 110.25 2aby s ASN 39 Ca 0.17 0.02 0.00 0.00 -2.14 0.00 0.00 52.86 50.92 2aby s ASN 39 Cb 0.04 0.24 0.03 0.00 1.28 0.00 0.00 41.25 42.84 2aby s ASN 39 CO 0.09 -0.38 -0.11 -0.63 -2.04 0.00 0.00 177.10 174.03 2aby s ILE 40 N -2.58 1.49 0.10 0.54 1.01 -1.26 -1.09 121.20 119.40 2aby s ILE 40 Ca 0.07 -0.72 0.06 0.00 0.00 0.00 0.00 60.65 60.06 2aby s ILE 40 Cb -0.01 -1.49 -0.03 0.00 0.01 0.00 0.00 42.46 40.93 2aby s ILE 40 CO -0.06 0.32 -0.16 0.72 0.00 0.00 0.00 174.94 175.76 2aby s PHE 41 N 1.49 1.43 -0.11 3.97 -0.12 -0.38 -1.66 117.98 122.61 2aby s PHE 41 Ca 0.02 -0.47 0.00 0.00 -0.05 0.00 0.00 56.93 56.43 2aby s PHE 41 Cb -0.14 -0.78 -0.02 0.00 -0.63 0.00 0.00 43.02 41.45 2aby s PHE 41 CO -0.09 0.13 -0.11 -1.17 -0.05 0.00 0.00 175.22 173.93 2aby s LEU 42 N -1.99 2.88 -0.07 -1.99 0.20 0.17 -1.27 118.68 116.60 2aby s LEU 42 Ca 0.04 -0.22 -0.00 0.00 0.69 0.00 0.00 54.13 54.63 2aby s LEU 42 Cb -0.09 -1.64 -0.03 0.00 -0.43 0.00 0.00 46.19 44.00 2aby s LEU 42 CO 0.03 0.23 -0.04 0.68 -0.29 0.00 0.00 176.35 176.96 2aby s VAL 43 N -0.05 3.93 -0.25 1.68 -7.23 -0.59 -0.88 120.40 117.00 2aby s VAL 43 Ca -0.02 -0.39 -0.02 0.00 -1.81 0.00 0.00 61.98 59.74 2aby s VAL 43 Cb -0.14 -2.62 0.08 0.00 0.56 0.00 0.00 36.38 34.26 2aby s VAL 43 CO 0.03 0.60 0.07 1.51 -0.31 0.00 0.00 175.10 177.01 2aby s ASP 44 N -0.84 3.44 0.06 4.85 -4.77 -1.26 -0.60 116.67 117.55 2aby s ASP 44 Ca 0.13 -1.20 -0.13 0.00 -3.30 0.00 0.00 52.55 48.04 2aby s ASP 44 Cb -0.11 -0.67 0.02 0.00 -1.09 0.00 0.00 42.92 41.07 2aby s ASP 44 CO 0.02 -0.37 0.30 -0.22 0.70 0.00 0.00 175.17 175.60 2aby s LEU 45 N 1.80 0.88 -1.51 2.11 1.98 -0.23 -4.90 118.68 118.81 2aby s LEU 45 Ca 0.04 -0.27 -0.02 0.00 -2.89 0.00 0.00 54.13 50.99 2aby s LEU 45 Cb -0.17 1.38 0.00 0.00 0.66 0.00 0.00 46.19 48.06 2aby s LEU 45 CO -0.19 -0.66 0.30 -1.22 -1.89 0.00 0.00 176.35 172.69 2aby n TYR 46 N 0.38 -1.39 -0.99 5.38 4.01 -1.26 -1.32 117.16 121.97 2aby n TYR 46 Ca -0.18 0.26 0.00 0.00 -0.16 0.00 0.00 57.90 57.82 2aby n TYR 46 Cb 0.60 -3.98 0.00 0.00 -0.31 0.00 0.00 39.34 35.66 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 -1.26 0.19 3.00 2.72 0.00 -1.26 -4.96 105.19 103.61 2aby n GLY 47 Ca -0.16 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.24 1.13 0.00 1.61 -0.21 -0.43 -5.14 119.66 115.38 2aby s GLN 48 Ca 0.00 -0.31 0.06 0.00 0.02 0.00 0.00 55.36 55.13 2aby s GLN 48 Cb 0.00 -1.02 -0.03 0.00 1.00 0.00 0.00 33.01 32.96 2aby s GLN 48 CO 0.00 0.07 -0.19 -1.59 -2.12 0.00 0.00 175.29 171.46 2aby s LYS 49 N 0.39 2.18 0.17 2.91 0.00 -1.26 -1.07 119.74 123.06 2aby s LYS 49 Ca -0.07 -0.90 -0.02 0.00 0.00 0.00 0.00 55.97 54.98 2aby s LYS 49 Cb -0.11 -2.20 -0.04 0.00 0.00 0.00 0.00 37.83 35.48 2aby s LYS 49 CO 0.01 0.57 0.12 0.71 0.00 0.00 0.00 175.35 176.76 2aby s TYR 50 N -0.80 0.95 -0.17 1.78 1.51 0.23 -4.99 117.35 115.86 2aby s TYR 50 Ca 0.13 -1.25 -0.07 0.00 -1.01 0.00 0.00 57.07 54.86 2aby s TYR 50 Cb -0.10 -0.47 -0.04 0.00 -0.11 0.00 0.00 41.96 41.24 2aby s TYR 50 CO 0.02 -0.61 0.07 -0.06 -1.11 0.00 0.00 175.55 173.87 2aby s PHE 51 N -4.09 3.29 -0.05 2.71 0.40 0.33 -1.55 117.98 119.02 2aby s PHE 51 Ca 0.31 0.14 0.01 0.00 -0.60 0.00 0.00 56.93 56.79 2aby s PHE 51 Cb 0.07 -2.06 0.02 0.00 0.51 0.00 0.00 43.02 41.56 2aby s PHE 51 CO 0.07 0.23 -0.04 1.03 0.70 0.00 0.00 175.22 177.20 2aby s ARG 52 N 0.19 0.84 -0.05 0.44 3.00 -0.39 -1.05 118.95 121.92 2aby s ARG 52 Ca 0.05 -0.10 0.06 0.00 0.00 0.00 0.00 55.73 55.74 2aby s ARG 52 Cb -0.12 -0.86 -0.02 0.00 0.00 0.00 0.00 34.95 33.95 2aby s ARG 52 CO 0.00 -0.09 -0.24 0.96 0.00 0.00 0.00 175.30 175.93 2aby s ILE 53 N 0.97 2.20 -0.18 1.52 -5.25 -0.57 -1.25 121.20 118.64 2aby s ILE 53 Ca -0.10 -1.03 -0.00 0.00 -0.99 0.00 0.00 60.65 58.53 2aby s ILE 53 Cb -0.14 -1.79 0.01 0.00 2.95 0.00 0.00 42.46 43.48 2aby s ILE 53 CO -0.00 0.57 -0.15 -0.22 -1.79 0.00 0.00 174.94 173.35 2aby s LEU 54 N -0.36 2.38 -0.18 0.37 0.20 -0.25 -1.68 118.68 119.16 2aby s LEU 54 Ca 0.02 -0.54 0.01 0.00 0.69 0.00 0.00 54.13 54.31 2aby s LEU 54 Cb -0.12 -1.55 0.02 0.00 -0.43 0.00 0.00 46.19 44.10 2aby s LEU 54 CO 0.02 0.02 -0.19 0.12 -0.29 0.00 0.00 176.35 176.04 2aby s PHE 55 N 1.17 2.79 0.06 5.38 5.36 -0.31 -0.45 117.98 131.98 2aby s PHE 55 Ca 0.01 -1.59 0.03 0.00 -0.96 0.00 0.00 56.93 54.43 2aby s PHE 55 Cb -0.14 -1.94 -0.03 0.00 -0.34 0.00 0.00 43.02 40.58 2aby s PHE 55 CO -0.07 -0.79 -0.09 -0.65 -1.46 0.00 0.00 175.22 172.17 2aby s GLN 56 N 1.30 0.64 0.67 10.12 -0.21 0.11 0.23 119.66 132.53 2aby s GLN 56 Ca 0.05 -0.89 0.05 0.00 0.02 0.00 0.00 55.36 54.58 2aby s GLN 56 Cb -0.13 -0.40 0.12 0.00 1.00 0.00 0.00 33.01 33.60 2aby s GLN 56 CO -0.12 0.07 0.93 0.45 -2.12 0.00 0.00 175.29 174.50 2aby s SER 57 N -1.85 4.59 -0.24 5.90 0.15 -1.14 -0.35 113.70 120.75 2aby s SER 57 Ca -0.05 -0.69 -0.16 0.00 0.70 0.00 0.00 55.95 55.75 2aby s SER 57 Cb -0.08 0.32 -0.13 0.00 -1.71 0.00 0.00 66.02 64.42 2aby s SER 57 CO 0.00 -1.72 -0.19 1.17 1.20 0.00 0.00 173.24 173.70 2aby n LYS 58 N -2.61 0.57 0.00 5.44 4.81 -1.23 -4.33 118.16 120.80 2aby n LYS 58 Ca 0.17 0.36 0.15 0.00 -0.87 0.00 0.00 58.31 58.11 2aby n LYS 58 Cb 0.61 -1.57 0.80 0.00 0.02 0.00 0.00 35.03 34.89 2aby n LYS 58 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2aby n LYS 59 N -4.34 0.62 -1.63 1.64 5.02 -1.26 -4.89 118.16 113.32 2aby n LYS 59 Ca -0.42 0.01 -0.59 0.00 -2.02 0.00 0.00 58.31 55.29 2aby n LYS 59 Cb 0.76 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 34.19 2aby n LYS 59 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 2aby n LEU 60 N -1.18 1.26 -4.68 -0.35 -0.00 -1.26 -4.94 117.00 105.85 2aby n LEU 60 Ca 0.17 1.14 -0.30 0.00 -0.00 0.00 0.00 56.01 57.02 2aby n LEU 60 Cb 0.18 -1.03 -0.08 0.00 -0.00 0.00 0.00 43.42 42.49 2aby n LEU 60 CO 0.20 -1.10 -0.34 -0.44 -0.00 0.00 0.00 177.39 175.72 2aby s SER 61 N 1.62 4.99 0.24 1.45 0.01 -1.26 -5.02 113.70 115.74 2aby s SER 61 Ca 0.94 -0.18 0.03 0.00 1.31 0.00 0.00 55.95 58.05 2aby s SER 61 Cb -1.19 -1.18 0.28 0.00 0.21 0.00 0.00 66.02 64.14 2aby s SER 61 CO 0.62 0.18 1.60 -0.33 0.41 0.00 0.00 173.24 175.71 2aby h GLU 62 N 3.48 0.34 0.00 12.44 5.08 -1.97 -3.45 114.58 130.50 2aby h GLU 62 Ca -0.48 -0.20 -0.34 0.00 -1.00 0.00 0.00 59.36 57.34 2aby h GLU 62 Cb 1.16 0.02 0.15 0.00 0.50 0.00 0.00 28.75 30.58 2aby h GLU 62 CO 0.59 0.77 0.23 1.28 -1.00 0.00 0.00 179.01 180.89 2aby n LEU 63 N -3.95 0.00 -3.02 1.33 7.99 -1.26 -4.64 117.00 113.44 2aby n LEU 63 Ca -0.02 -1.08 -0.03 0.00 -0.01 0.00 0.00 56.01 54.87 2aby n LEU 63 Cb 0.56 -0.82 0.01 0.00 -0.11 0.00 0.00 43.42 43.06 2aby n LEU 63 CO 0.44 -1.57 0.27 1.41 -1.51 0.00 0.00 177.39 176.43 2aby n HIS 64 N -3.90 -2.74 0.34 -1.77 8.25 -1.26 -4.90 115.22 109.24 2aby n HIS 64 Ca 0.13 1.03 0.15 0.00 -0.26 0.00 0.00 57.72 58.76 2aby n HIS 64 Cb 0.47 -4.01 0.60 0.00 1.12 0.00 0.00 29.99 28.18 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 0.12 0.00 -0.22 -0.41 0.13 -1.95 -2.95 132.00 126.72 2aby h PRO 65 Ca -0.13 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.97 2aby h PRO 65 Cb 1.06 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 2aby h PRO 65 CO 0.31 0.00 0.00 1.49 -0.23 0.00 0.00 178.00 179.58 2aby h GLU 66 N 0.00 0.32 -0.02 0.86 4.81 -1.99 -2.14 114.58 116.43 2aby h GLU 66 Ca 0.00 -0.05 -0.17 0.00 -0.13 0.00 0.00 59.36 59.01 2aby h GLU 66 Cb 0.42 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 2aby h GLU 66 CO 0.00 0.35 -0.75 0.93 -0.73 0.00 0.00 179.01 178.80 2aby h GLU 67 N 0.32 0.16 -0.23 1.92 4.39 -1.89 -3.12 114.58 116.13 2aby h GLU 67 Ca 0.07 -0.14 0.06 0.00 0.34 0.00 0.00 59.36 59.69 2aby h GLU 67 Cb 0.21 0.03 -0.06 0.00 -0.10 0.00 0.00 28.75 28.83 2aby h GLU 67 CO 0.00 0.84 -0.18 0.00 -1.16 0.00 0.00 179.01 178.51 2aby h ARG 68 N 0.10 -0.17 -0.51 2.33 -0.00 -1.51 -0.34 114.38 114.29 2aby h ARG 68 Ca -0.02 0.01 -0.07 0.00 -0.50 0.00 0.00 59.98 59.40 2aby h ARG 68 Cb 1.32 0.04 -0.02 0.00 0.00 0.00 0.00 29.97 31.31 2aby h ARG 68 CO 0.11 -0.11 0.03 1.57 0.00 0.00 0.00 179.97 181.57 2aby h LYS 69 N -0.18 0.83 0.14 0.04 2.10 -1.61 -0.59 116.57 117.31 2aby h LYS 69 Ca 0.13 -0.22 0.01 0.00 -2.00 0.00 0.00 60.65 58.57 2aby h LYS 69 Cb 0.37 -0.10 -0.02 0.00 -0.90 0.00 0.00 32.23 31.58 2aby h LYS 69 CO -0.33 0.82 -0.16 -0.22 -2.00 0.00 0.00 179.45 177.56 2aby h LYS 70 N 0.78 -0.32 -0.17 0.07 3.64 -1.23 -1.45 116.57 117.90 2aby h LYS 70 Ca 0.16 0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.45 2aby h LYS 70 Cb 0.43 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 2aby h LYS 70 CO 0.02 -0.21 -0.37 -0.39 -2.27 0.00 0.00 179.45 176.22 2aby h VAL 71 N -0.33 1.30 0.25 2.00 -1.51 -1.01 -1.13 116.25 115.82 2aby h VAL 71 Ca 0.01 -1.47 -0.00 0.00 -1.23 0.00 0.00 66.70 64.01 2aby h VAL 71 Cb 0.33 1.58 -0.01 0.00 -2.13 0.00 0.00 31.29 31.05 2aby h VAL 71 CO -0.06 0.45 -0.22 -0.09 -1.23 0.00 0.00 177.57 176.43 2aby h ARG 72 N 0.31 -0.47 -0.28 5.19 9.65 -0.71 0.20 114.38 128.27 2aby h ARG 72 Ca 0.03 0.03 -0.16 0.00 -1.10 0.00 0.00 59.98 58.78 2aby h ARG 72 Cb 0.80 0.11 -0.00 0.00 -1.39 0.00 0.00 29.97 29.48 2aby h ARG 72 CO 0.06 -0.31 -0.48 1.05 2.80 0.00 0.00 179.97 183.09 2aby h GLU 73 N -0.49 0.76 0.23 0.20 4.11 -1.27 -0.98 114.58 117.15 2aby h GLU 73 Ca -0.01 -0.44 -0.01 0.00 0.07 0.00 0.00 59.36 58.97 2aby h GLU 73 Cb 0.44 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.72 2aby h GLU 73 CO -0.03 1.07 -0.13 -0.22 0.07 0.00 0.00 179.01 179.77 2aby h LYS 74 N 0.61 -0.33 -0.24 1.06 1.63 -1.00 -1.13 116.57 117.16 2aby h LYS 74 Ca 0.03 0.02 -0.11 0.00 -0.85 0.00 0.00 60.65 59.74 2aby h LYS 74 Cb 1.05 0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.74 2aby h LYS 74 CO 0.10 -0.22 -0.31 0.27 -3.45 0.00 0.00 179.45 175.84 2aby h PHE 75 N -0.34 0.58 -0.10 1.91 -5.15 -0.63 -1.57 116.94 111.64 2aby h PHE 75 Ca -0.02 -0.14 0.01 0.00 -0.20 0.00 0.00 57.97 57.62 2aby h PHE 75 Cb 0.27 -0.14 -0.01 0.00 0.22 0.00 0.00 35.95 36.30 2aby h PHE 75 CO -0.08 0.76 0.02 -0.44 -2.00 0.00 0.00 178.31 176.57 2aby h ASP 76 N 0.44 0.00 -0.11 -0.68 3.32 -0.90 -0.76 116.42 117.73 2aby h ASP 76 Ca 0.05 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.08 2aby h ASP 76 Cb 0.76 0.02 -0.00 0.00 0.22 0.00 0.00 39.33 40.33 2aby h ASP 76 CO 0.06 0.02 -0.07 -0.33 -1.72 0.00 0.00 179.24 177.19 2aby h GLU 77 N 0.06 0.24 -0.98 3.56 5.08 -1.15 -1.11 114.58 120.27 2aby h GLU 77 Ca 0.04 -0.12 0.17 0.00 -1.00 0.00 0.00 59.36 58.46 2aby h GLU 77 Cb 0.04 -0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.19 2aby h GLU 77 CO -0.06 0.62 0.61 -0.97 -1.00 0.00 0.00 179.01 178.21 2aby h ASN 78 N -0.14 0.75 0.02 1.42 -0.73 -1.18 0.44 115.58 116.16 2aby h ASN 78 Ca 0.02 0.07 -0.20 0.00 1.87 0.00 0.00 56.30 58.07 2aby h ASN 78 Cb 0.56 -0.07 0.02 0.00 0.27 0.00 0.00 38.32 39.10 2aby h ASN 78 CO 0.02 0.31 -0.78 -1.28 -0.37 0.00 0.00 177.43 175.34 2aby h SER 79 N 0.76 0.65 0.53 1.15 0.87 -1.07 -3.13 113.55 113.31 2aby h SER 79 Ca 0.53 -0.77 0.00 0.00 -1.23 0.00 0.00 61.79 60.32 2aby h SER 79 Cb 0.84 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.60 2aby h SER 79 CO -0.31 1.34 0.00 -2.11 -0.53 0.00 0.00 176.83 175.22 2aby n ARG 80 N -4.09 0.08 -1.27 2.24 -4.01 -0.43 -4.87 116.66 104.32 2aby n ARG 80 Ca -0.11 0.17 -0.39 0.00 -1.04 0.00 0.00 57.85 56.48 2aby n ARG 80 Cb 0.76 -1.50 0.02 0.00 -3.04 0.00 0.00 32.46 28.69 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 -1.43 0.07 -1.04 2.89 2.81 0.14 -4.84 117.12 115.73 2aby n MET 81 Ca 0.06 0.03 -0.34 0.00 -1.81 0.00 0.00 57.70 55.63 2aby n MET 81 Cb 0.19 -1.11 0.10 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 1.30 0.03 -0.33 0.03 6.02 -1.26 -4.61 117.38 118.56 2aby n GLN 82 Ca 0.08 0.06 -0.01 0.00 -0.01 0.00 0.00 57.00 57.12 2aby n GLN 82 Cb 0.47 -1.93 0.11 0.00 1.02 0.00 0.00 30.24 29.92 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 -0.97 1.08 -0.29 1.08 3.20 -1.97 0.93 116.97 120.03 2aby h TYR 83 Ca -0.45 0.03 0.06 0.00 3.14 0.00 0.00 58.73 61.51 2aby h TYR 83 Cb 1.31 -0.36 -0.06 0.00 1.54 0.00 0.00 36.73 39.16 2aby h TYR 83 CO 0.38 0.63 -0.13 0.77 -1.64 0.00 0.00 178.16 178.17 2aby h SER 84 N 1.12 -0.44 0.22 -2.11 0.02 -1.99 0.31 113.55 110.69 2aby h SER 84 Ca 0.35 0.11 -0.16 0.00 -0.84 0.00 0.00 61.79 61.25 2aby h SER 84 Cb -0.01 0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 2aby h SER 84 CO -0.11 -0.16 -0.63 -0.08 -1.14 0.00 0.00 176.83 174.70 2aby h GLU 85 N -0.08 0.40 -0.53 3.45 4.57 -1.82 -1.07 114.58 119.50 2aby h GLU 85 Ca 0.15 -0.28 -0.03 0.00 -1.18 0.00 0.00 59.36 58.02 2aby h GLU 85 Cb 0.31 0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.92 2aby h GLU 85 CO -0.35 0.90 0.23 1.25 -1.18 0.00 0.00 179.01 179.86 2aby h LEU 86 N 0.29 0.72 -0.20 1.64 7.12 0.03 0.22 115.31 125.13 2aby h LEU 86 Ca -0.01 -0.16 -0.15 0.00 0.13 0.00 0.00 57.88 57.69 2aby h LEU 86 Cb 1.18 -0.19 -0.02 0.00 -0.53 0.00 0.00 40.66 41.10 2aby h LEU 86 CO 0.11 0.68 -0.71 0.24 -0.13 0.00 0.00 178.44 178.63 2aby h MET 87 N 0.71 0.00 -0.01 1.25 2.86 -0.40 -3.21 114.93 116.13 2aby h MET 87 Ca 0.18 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.80 2aby h MET 87 Cb 0.17 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.83 2aby h MET 87 CO -0.02 0.71 -0.07 1.15 1.06 0.00 0.00 176.91 179.74 2aby h THR 88 N 0.00 1.53 0.00 2.22 2.02 -0.88 0.32 112.91 118.12 2aby h THR 88 Ca -0.01 -1.66 0.00 0.00 0.77 0.00 0.00 66.41 65.52 2aby h THR 88 Cb 1.45 2.60 0.00 0.00 -1.74 0.00 0.00 68.15 70.46 2aby h THR 88 CO 0.09 0.44 0.00 1.17 0.37 0.00 0.00 175.52 177.59 2aby n LYS 89 N -4.68 0.04 -0.10 6.66 3.00 0.75 0.16 118.16 123.99 2aby n LYS 89 Ca -0.09 0.48 -0.17 0.00 -0.00 0.00 0.00 58.31 58.53 2aby n LYS 89 Cb 0.38 -1.62 -0.08 0.00 0.00 0.00 0.00 35.03 33.71 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 -1.71 0.00 0.85 5.64 9.36 -1.17 -3.57 117.16 126.56 2aby n TYR 90 Ca 0.00 0.00 0.13 0.00 3.32 0.00 0.00 57.90 61.35 2aby n TYR 90 Cb 0.05 -0.72 0.42 0.00 -0.63 0.00 0.00 39.34 38.47 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 -3.48 0.30 -0.14 2.98 -0.00 0.11 -3.27 115.22 111.72 2aby n HIS 91 Ca -0.36 0.09 -0.28 0.00 0.46 0.00 0.00 57.72 57.62 2aby n HIS 91 Cb 0.82 -0.57 -0.10 0.00 -0.12 0.00 0.00 29.99 30.01 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 -1.77 1.95 0.32 0.26 2.03 0.42 -4.36 116.55 115.41 2aby n ASP 92 Ca 0.06 0.27 0.22 0.00 0.52 0.00 0.00 54.79 55.86 2aby n ASP 92 Cb 0.37 -0.76 1.14 0.00 -0.72 0.00 0.00 41.12 41.16 2aby n ASP 92 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2aby h LEU 93 N -0.85 0.00 -0.28 -2.67 3.38 -1.61 -0.29 115.31 112.99 2aby h LEU 93 Ca -0.69 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.28 2aby h LEU 93 Cb 1.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.40 2aby h LEU 93 CO -0.38 0.00 0.00 2.29 0.09 0.00 0.00 178.44 180.44 2aby n LYS 94 N -3.02 0.07 -0.04 1.13 -0.00 -1.20 -0.06 118.16 115.03 2aby n LYS 94 Ca -0.03 0.34 -0.17 0.00 -0.00 0.00 0.00 58.31 58.45 2aby n LYS 94 Cb 0.09 -1.64 -0.13 0.00 -0.00 0.00 0.00 35.03 33.35 2aby n LYS 94 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 2aby h LYS 95 N 0.00 0.09 0.00 -1.58 3.11 -1.29 -3.37 116.57 113.53 2aby h LYS 95 Ca 0.00 -0.16 -0.10 0.00 -2.81 0.00 0.00 60.65 57.58 2aby h LYS 95 Cb 0.25 0.06 -0.02 0.00 -1.00 0.00 0.00 32.23 31.52 2aby h LYS 95 CO 0.00 1.08 -0.95 -0.56 -2.81 0.00 0.00 179.45 176.21 2aby h GLN 96 N -0.79 0.00 0.00 1.90 -0.00 -1.66 -3.47 115.11 111.09 2aby h GLN 96 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.54 2aby h GLN 96 Cb 1.27 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.75 2aby h GLN 96 CO 0.01 0.27 0.00 0.41 -0.00 0.00 0.00 178.83 179.52 2aby n GLY 97 N 1.28 3.97 3.72 0.06 0.00 0.91 -5.14 105.19 109.98 2aby n GLY 97 Ca -0.03 -0.73 -0.04 0.00 0.00 0.00 0.00 46.02 45.22 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 4.44 1.10 -0.04 1.61 0.00 -1.25 -4.69 119.74 120.90 2aby s LYS 98 Ca 0.00 -0.59 -0.06 0.00 0.00 0.00 0.00 55.97 55.32 2aby s LYS 98 Cb 0.00 0.38 0.01 0.00 0.00 0.00 0.00 37.83 38.23 2aby s LYS 98 CO 0.00 -0.50 0.14 -1.50 0.00 0.00 0.00 175.35 173.49 2aby s ILE 99 N -3.20 0.02 0.01 3.79 -1.16 -1.26 -4.17 121.20 115.24 2aby s ILE 99 Ca 0.12 -0.20 0.06 0.00 -0.51 0.00 0.00 60.65 60.12 2aby s ILE 99 Cb -0.01 -0.28 -0.02 0.00 0.61 0.00 0.00 42.46 42.77 2aby s ILE 99 CO 0.01 -0.11 -0.19 -0.54 -2.81 0.00 0.00 174.94 171.29 2aby s LYS 100 N -0.34 1.43 -0.78 3.50 -0.14 -1.26 -5.06 119.74 117.09 2aby s LYS 100 Ca -0.04 -0.79 -0.06 0.00 -1.36 0.00 0.00 55.97 53.72 2aby s LYS 100 Cb -0.03 -1.45 0.20 0.00 -1.68 0.00 0.00 37.83 34.87 2aby s LYS 100 CO 0.01 0.39 0.66 0.34 -0.76 0.00 0.00 175.35 175.98 2aby s ASP 101 N -0.80 5.94 0.71 2.83 2.15 -1.26 -4.83 116.67 121.42 2aby s ASP 101 Ca 0.07 -3.12 -0.11 0.00 0.43 0.00 0.00 52.55 49.83 2aby s ASP 101 Cb -0.08 -1.98 0.02 0.00 -0.30 0.00 0.00 42.92 40.58 2aby s ASP 101 CO 0.00 -0.36 1.07 -0.13 -0.17 0.00 0.00 175.17 175.58 2aby s ARG 102 N -0.46 2.78 0.61 4.34 0.52 -1.26 -5.02 118.95 120.45 2aby s ARG 102 Ca 0.21 0.96 -0.17 0.00 -0.52 0.00 0.00 55.73 56.21 2aby s ARG 102 Cb -0.14 -1.97 -0.03 0.00 0.52 0.00 0.00 34.95 33.34 2aby s ARG 102 CO -0.07 -1.21 1.12 -1.25 0.02 0.00 0.00 175.30 173.90 2aby s PRO 103 N -5.04 3.04 0.06 3.54 0.04 -1.26 -5.02 135.00 130.36 2aby s PRO 103 Ca 0.59 1.49 -0.24 0.00 0.04 0.00 0.00 61.00 62.87 2aby s PRO 103 Cb -0.14 -1.97 -0.06 0.00 0.04 0.00 0.00 34.50 32.36 2aby s PRO 103 CO 0.55 -1.08 0.72 0.54 0.04 0.00 0.00 177.00 177.78 2aby s VAL 104 N -2.09 4.71 0.09 -0.36 0.11 -1.26 -4.80 120.40 116.80 2aby s VAL 104 Ca 0.69 1.55 -0.21 0.00 -2.93 0.00 0.00 61.98 61.08 2aby s VAL 104 Cb -0.22 -4.07 -0.07 0.00 -1.53 0.00 0.00 36.38 30.49 2aby s VAL 104 CO 0.35 0.41 0.63 -0.75 -3.33 0.00 0.00 175.10 172.41 2aby s LYS 105 N -0.31 4.31 0.20 1.54 2.47 -0.67 -4.80 119.74 122.49 2aby s LYS 105 Ca 0.36 0.85 -0.30 0.00 -1.56 0.00 0.00 55.97 55.32 2aby s LYS 105 Cb -0.20 -3.25 -0.08 0.00 -1.46 0.00 0.00 37.83 32.83 2aby s LYS 105 CO 0.22 0.60 1.04 -1.83 0.16 0.00 0.00 175.35 175.54 2aby s GLU 106 N -1.05 4.68 -0.07 4.03 1.03 -1.26 0.42 118.70 126.48 2aby s GLU 106 Ca 0.31 1.64 0.00 0.00 0.03 0.00 0.00 54.97 56.95 2aby s GLU 106 Cb -0.20 -3.28 -0.03 0.00 -0.80 0.00 0.00 34.13 29.82 2aby s GLU 106 CO 0.21 0.23 -0.05 0.08 -1.33 0.00 0.00 175.26 174.40 2aby s VAL 107 N -0.60 3.89 0.48 1.83 1.01 -0.06 -4.87 120.40 122.09 2aby s VAL 107 Ca 0.46 -0.44 0.02 0.00 0.00 0.00 0.00 61.98 62.03 2aby s VAL 107 Cb -0.28 -2.62 -0.03 0.00 0.00 0.00 0.00 36.38 33.46 2aby s VAL 107 CO 0.35 0.58 0.02 -1.00 0.00 0.00 0.00 175.10 175.04 2aby s HIS 108 N -0.85 1.96 -0.21 5.22 3.76 -1.26 -4.14 115.29 119.76 2aby s HIS 108 Ca 0.13 -0.94 -0.29 0.00 -0.15 0.00 0.00 55.06 53.81 2aby s HIS 108 Cb -0.11 -1.59 0.00 0.00 1.11 0.00 0.00 32.58 32.00 2aby s HIS 108 CO 0.02 0.21 1.08 -1.21 -0.85 0.00 0.00 174.74 174.00 2aby s GLU 109 N -3.83 4.26 0.00 1.40 2.02 -1.26 -4.92 118.70 116.37 2aby s GLU 109 Ca 0.13 1.42 0.00 0.00 0.02 0.00 0.00 54.97 56.54 2aby s GLU 109 Cb 0.03 -3.66 0.00 0.00 0.10 0.00 0.00 34.13 30.60 2aby s GLU 109 CO 0.07 -0.63 0.00 -1.91 0.02 0.00 0.00 175.26 172.80 2aby n GLU 110 N 6.32 -1.20 -3.71 1.61 2.13 -1.26 -5.07 120.64 119.47 2aby n GLU 110 Ca 0.12 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.64 2aby n GLU 110 Cb 0.46 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 32.07 2aby n GLU 110 CO 0.00 0.00 0.00 2.48 -0.41 0.00 0.00 177.13 179.20 2aby n TYR 111 N 3.64 3.54 0.00 4.31 4.11 -1.26 -4.86 117.16 126.65 2aby n TYR 111 Ca 0.00 -4.18 0.00 0.00 -0.00 0.00 0.00 57.90 53.72 2aby n TYR 111 Cb 0.00 -0.76 0.00 0.00 -0.00 0.00 0.00 39.34 38.58 2aby n TYR 111 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.86 176.61 2aby n ASP 112 N 1.77 0.00 -3.15 9.48 8.00 -1.26 -5.09 116.55 126.30 2aby n ASP 112 Ca 0.23 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.58 2aby n ASP 112 Cb 0.37 -0.03 0.14 0.00 -0.02 0.00 0.00 41.12 41.57 2aby n ASP 112 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2aby n LEU 113 N -1.88 0.00 -0.27 0.64 -0.00 -1.26 -4.88 117.00 109.35 2aby n LEU 113 Ca 0.00 -0.41 -0.05 0.00 -0.00 0.00 0.00 56.01 55.55 2aby n LEU 113 Cb 0.00 -0.50 0.06 0.00 -0.00 0.00 0.00 43.42 42.98 2aby n LEU 113 CO 0.00 -2.14 1.15 -0.50 -0.00 0.00 0.00 177.39 175.89 2aby h TRP 114 N -2.73 0.98 -6.27 1.47 -0.00 -2.00 -3.47 115.95 103.93 2aby h TRP 114 Ca -0.19 -0.00 -0.33 0.00 -0.00 0.00 0.00 58.89 58.37 2aby h TRP 114 Cb 0.63 -0.32 0.01 0.00 -0.00 0.00 0.00 29.16 29.47 2aby h TRP 114 CO 0.00 0.66 -0.73 0.39 -0.00 0.00 0.00 178.44 178.76 2aby n GLU 115 N -4.51 -1.41 0.00 0.49 1.02 -1.26 -4.73 120.64 110.23 2aby n GLU 115 Ca 0.07 0.96 0.00 0.00 -0.02 0.00 0.00 57.16 58.16 2aby n GLU 115 Cb 0.06 -3.54 0.00 0.00 -0.02 0.00 0.00 31.44 27.94 2aby n GLU 115 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2aby n ASP 116 N -2.34 0.00 -0.01 1.62 2.03 -1.26 -4.93 116.55 111.65 2aby n ASP 116 Ca -0.20 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 54.98 2aby n ASP 116 Cb 0.62 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.92 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 0.01 0.00 -0.67 0.13 -1.91 -2.05 132.00 127.51 2aby h PRO 117 Ca 0.00 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2aby h PRO 117 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2aby h PRO 117 CO 0.00 0.49 0.00 0.44 -0.23 0.00 0.00 178.00 178.70 2aby n ILE 118 N -4.85 0.53 0.06 -3.56 -0.00 -1.26 -2.74 119.36 107.55 2aby n ILE 118 Ca -0.08 -0.13 0.00 0.00 -0.00 0.00 0.00 62.75 62.54 2aby n ILE 118 Cb 0.25 -0.67 -0.05 0.00 -0.00 0.00 0.00 39.64 39.17 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 0.00 0.00 4.28 2.91 -1.91 -3.42 115.95 117.82 2aby h TRP 119 Ca 0.00 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.02 2aby h TRP 119 Cb 0.61 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.26 2aby h TRP 119 CO 0.00 0.59 0.00 1.04 -1.03 0.00 0.00 178.44 179.04 2aby n GLN 120 N -3.02 0.00 -4.09 2.65 1.13 -0.78 -4.99 117.38 108.28 2aby n GLN 120 Ca -0.06 0.16 -0.15 0.00 -1.94 0.00 0.00 57.00 55.01 2aby n GLN 120 Cb 0.82 -0.56 -0.04 0.00 0.11 0.00 0.00 30.24 30.56 2aby n GLN 120 CO 0.00 0.00 0.00 0.71 -1.44 0.00 0.00 177.06 176.33 2aby s TYR 121 N -0.53 1.06 -1.26 1.08 2.02 -1.11 -5.11 117.35 113.50 2aby s TYR 121 Ca 0.00 -1.29 0.00 0.00 -0.37 0.00 0.00 57.07 55.41 2aby s TYR 121 Cb 0.00 -0.09 0.00 0.00 -0.40 0.00 0.00 41.96 41.47 2aby s TYR 121 CO 0.00 -1.12 0.31 0.44 -1.57 0.00 0.00 175.55 173.61