#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 0.28 -1.50 3.17 6.02 -1.26 -4.74 117.38 119.35 2aby n GLN 2 Ca 0.00 0.12 -0.30 0.00 -0.01 0.00 0.00 57.00 56.81 2aby n GLN 2 Cb 0.00 -0.98 0.10 0.00 1.02 0.00 0.00 30.24 30.38 2aby n GLN 2 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 2aby s LYS 3 N -2.33 1.84 0.00 -1.09 0.00 -1.26 -4.33 119.74 112.57 2aby s LYS 3 Ca -0.18 0.62 0.00 0.00 0.00 0.00 0.00 55.97 56.41 2aby s LYS 3 Cb 0.05 -1.89 0.00 0.00 0.00 0.00 0.00 37.83 35.99 2aby s LYS 3 CO 0.23 -1.78 0.00 0.41 0.00 0.00 0.00 175.35 174.21 2aby n GLY 4 N -1.98 0.77 3.15 0.59 0.00 -1.26 -5.02 105.19 101.44 2aby n GLY 4 Ca 0.07 -0.41 -0.10 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.22 0.99 2.01 -1.26 -1.95 118.68 120.73 2aby s LEU 5 Ca 0.00 -0.97 -0.13 0.00 0.01 0.00 0.00 54.13 53.04 2aby s LEU 5 Cb 0.00 -0.03 -0.04 0.00 0.01 0.00 0.00 46.19 46.12 2aby s LEU 5 CO 0.00 -0.47 0.27 -1.61 1.01 0.00 0.00 176.35 175.55 2aby s GLU 6 N -3.67 4.12 0.02 1.70 2.02 -1.26 -3.36 118.70 118.27 2aby s GLU 6 Ca 0.09 -0.05 0.01 0.00 0.02 0.00 0.00 54.97 55.04 2aby s GLU 6 Cb 0.04 -3.53 -0.01 0.00 0.10 0.00 0.00 34.13 30.73 2aby s GLU 6 CO -0.05 0.03 -0.03 0.96 0.02 0.00 0.00 175.26 176.18 2aby s ILE 7 N 1.14 0.19 0.07 -1.63 -0.00 0.11 -4.99 121.20 116.08 2aby s ILE 7 Ca 0.13 -0.62 0.07 0.00 -0.00 0.00 0.00 60.65 60.24 2aby s ILE 7 Cb -0.14 -0.26 -0.03 0.00 -0.00 0.00 0.00 42.46 42.03 2aby s ILE 7 CO 0.06 -0.27 -0.20 0.00 -0.00 0.00 0.00 174.94 174.52 2aby s ALA 8 N -0.90 1.72 -0.01 2.27 0.00 -1.26 -1.41 121.76 122.17 2aby s ALA 8 Ca -0.09 -1.12 0.01 0.00 0.00 0.00 0.00 51.96 50.76 2aby s ALA 8 Cb -0.06 -0.28 0.01 0.00 0.00 0.00 0.00 23.12 22.78 2aby s ALA 8 CO -0.00 0.36 -0.01 0.12 0.00 0.00 0.00 175.76 176.22 2aby s PHE 9 N -0.96 0.21 0.27 0.00 5.36 -0.80 -4.84 117.98 117.22 2aby s PHE 9 Ca 0.06 -0.02 0.10 0.00 -0.96 0.00 0.00 56.93 56.11 2aby s PHE 9 Cb -0.09 -0.19 -0.04 0.00 -0.34 0.00 0.00 43.02 42.36 2aby s PHE 9 CO 0.03 -0.03 -0.00 1.14 -1.46 0.00 0.00 175.22 174.89 2aby s GLN 10 N 0.24 2.28 -0.15 10.12 1.03 -1.26 -0.78 119.66 131.14 2aby s GLN 10 Ca -0.02 -1.44 -0.05 0.00 0.04 0.00 0.00 55.36 53.89 2aby s GLN 10 Cb -0.04 -2.15 0.07 0.00 0.03 0.00 0.00 33.01 30.93 2aby s GLN 10 CO -0.01 0.34 0.28 -0.08 -2.54 0.00 0.00 175.29 173.29 2aby s THR 11 N -2.34 -0.44 0.03 3.63 -1.32 0.24 -4.91 115.64 110.54 2aby s THR 11 Ca 0.32 0.20 -0.03 0.00 -1.21 0.00 0.00 61.69 60.96 2aby s THR 11 Cb -0.06 -0.52 -0.02 0.00 -1.51 0.00 0.00 72.50 70.40 2aby s THR 11 CO 0.20 0.06 0.05 -0.63 -2.21 0.00 0.00 174.62 172.08 2aby s ILE 12 N 2.43 0.13 -0.06 5.08 1.09 -1.26 -1.79 121.20 126.82 2aby s ILE 12 Ca 0.02 -1.10 -0.05 0.00 -1.10 0.00 0.00 60.65 58.43 2aby s ILE 12 Cb -0.13 -0.75 0.02 0.00 -1.06 0.00 0.00 42.46 40.55 2aby s ILE 12 CO -0.10 -0.60 0.10 -3.20 -0.10 0.00 0.00 174.94 171.04 2aby n ASN 13 N 0.99 -5.94 0.00 3.58 5.15 -1.26 -4.92 115.26 112.87 2aby n ASN 13 Ca -0.20 1.67 0.00 0.00 -0.60 0.00 0.00 54.58 55.45 2aby n ASN 13 Cb 0.57 -5.26 0.00 0.00 -0.53 0.00 0.00 39.78 34.57 2aby n ASN 13 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2aby n GLY 14 N 1.79 0.18 2.36 8.20 0.00 -1.26 -4.79 105.19 111.67 2aby n GLY 14 Ca -0.17 -1.87 -0.26 0.00 0.00 0.00 0.00 46.02 43.72 2aby n GLY 14 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2aby n LEU 15 N 0.00 0.67 0.00 0.99 4.77 -1.26 -4.92 117.00 117.25 2aby n LEU 15 Ca 0.00 -4.72 0.11 0.00 -0.03 0.00 0.00 56.01 51.36 2aby n LEU 15 Cb 0.00 0.31 0.57 0.00 -2.33 0.00 0.00 43.42 41.97 2aby n LEU 15 CO 0.00 1.96 0.83 -0.67 -1.33 0.00 0.00 177.39 178.19 2aby n ASP 16 N 1.89 0.00 -0.32 -1.43 2.03 -1.26 -3.56 116.55 113.90 2aby n ASP 16 Ca 0.25 -0.24 0.33 0.00 0.52 0.00 0.00 54.79 55.66 2aby n ASP 16 Cb 0.48 -0.19 0.72 0.00 -0.72 0.00 0.00 41.12 41.41 2aby n ASP 16 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 2aby h GLU 17 N 0.00 0.06 -0.40 -0.67 5.08 -1.98 0.22 114.58 116.89 2aby h GLU 17 Ca 0.00 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2aby h GLU 17 Cb 0.13 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 2aby h GLU 17 CO 0.00 0.04 0.25 1.03 -1.00 0.00 0.00 179.01 179.33 2aby h SER 18 N 0.06 0.47 -0.11 1.42 0.87 -1.99 0.28 113.55 114.54 2aby h SER 18 Ca 0.57 -0.03 -0.12 0.00 -1.23 0.00 0.00 61.79 60.97 2aby h SER 18 Cb 2.15 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 64.00 2aby h SER 18 CO -0.05 0.36 -0.40 0.25 -0.53 0.00 0.00 176.83 176.45 2aby h LEU 19 N 0.53 0.55 -0.38 2.23 5.85 -0.89 -0.39 115.31 122.81 2aby h LEU 19 Ca 0.14 -0.61 0.00 0.00 0.84 0.00 0.00 57.88 58.25 2aby h LEU 19 Cb -0.03 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 40.82 2aby h LEU 19 CO -0.03 1.07 0.24 0.58 -0.34 0.00 0.00 178.44 179.96 2aby h VAL 20 N 0.07 1.11 -0.32 1.05 2.07 -1.17 0.25 116.25 119.31 2aby h VAL 20 Ca -0.02 -0.24 -0.17 0.00 0.82 0.00 0.00 66.70 67.09 2aby h VAL 20 Cb 1.03 0.60 -0.00 0.00 -1.52 0.00 0.00 31.29 31.40 2aby h VAL 20 CO 0.09 0.11 -0.47 1.56 0.02 0.00 0.00 177.57 178.87 2aby h GLN 21 N 0.50 0.88 0.20 1.57 4.20 -0.50 -0.79 115.11 121.18 2aby h GLN 21 Ca 0.14 -0.52 -0.01 0.00 0.06 0.00 0.00 58.65 58.31 2aby h GLN 21 Cb -0.02 0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.81 2aby h GLN 21 CO -0.03 1.16 -0.10 0.00 -0.67 0.00 0.00 178.83 179.20 2aby h ALA 22 N 0.71 -0.28 -0.45 3.87 0.00 -0.85 -0.70 119.26 121.57 2aby h ALA 22 Ca 0.03 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 2aby h ALA 22 Cb 1.08 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 2aby h ALA 22 CO 0.11 -0.55 0.04 1.37 0.00 0.00 0.00 179.25 180.22 2aby h LEU 23 N -0.49 0.67 -0.50 0.00 8.10 -0.57 -1.64 115.31 120.89 2aby h LEU 23 Ca -0.03 -0.14 -0.06 0.00 0.11 0.00 0.00 57.88 57.77 2aby h LEU 23 Cb 0.37 -0.18 -0.02 0.00 -0.44 0.00 0.00 40.66 40.39 2aby h LEU 23 CO 0.05 0.72 0.09 0.00 -4.11 0.00 0.00 178.44 175.18 2aby h ALA 24 N 1.37 0.67 -0.03 0.17 0.00 -1.04 -1.08 119.26 119.32 2aby h ALA 24 Ca 0.14 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2aby h ALA 24 Cb 0.36 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 2aby h ALA 24 CO 0.01 0.39 -0.01 0.78 0.00 0.00 0.00 179.25 180.42 2aby h GLY 25 N 0.71 0.07 1.17 0.00 0.00 -0.86 -1.61 103.07 102.55 2aby h GLY 25 Ca 0.15 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.43 2aby h GLY 25 CO 0.01 0.05 0.52 -0.24 0.00 0.00 0.00 176.54 176.88 2aby h VAL 26 N -0.32 1.22 0.25 4.60 3.04 -1.31 -0.48 116.25 123.25 2aby h VAL 26 Ca 0.01 -0.45 -0.01 0.00 -1.01 0.00 0.00 66.70 65.24 2aby h VAL 26 Cb 0.43 0.03 0.00 0.00 -2.01 0.00 0.00 31.29 29.74 2aby h VAL 26 CO 0.00 0.22 -0.12 0.71 -1.01 0.00 0.00 177.57 177.38 2aby h THR 27 N 1.13 0.80 -0.34 3.17 1.35 -1.17 0.10 112.91 117.94 2aby h THR 27 Ca 0.30 -0.61 0.03 0.00 -0.55 0.00 0.00 66.41 65.58 2aby h THR 27 Cb -0.09 1.13 -0.02 0.00 -1.73 0.00 0.00 68.15 67.44 2aby h THR 27 CO -0.06 0.13 0.23 0.00 -0.25 0.00 0.00 175.52 175.57 2aby h ALA 28 N -0.04 1.88 -0.08 6.62 0.00 -1.14 0.70 119.26 127.20 2aby h ALA 28 Ca -0.03 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.64 2aby h ALA 28 Cb 0.47 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.17 2aby h ALA 28 CO 0.06 0.08 -0.79 0.66 0.00 0.00 0.00 179.25 179.26 2aby h SER 29 N 0.36 0.83 1.22 0.00 4.64 -0.98 -3.13 113.55 116.49 2aby h SER 29 Ca 0.14 -0.68 0.00 0.00 -0.47 0.00 0.00 61.79 60.78 2aby h SER 29 Cb 0.11 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 61.96 2aby h SER 29 CO -0.03 1.39 0.00 -2.24 -0.87 0.00 0.00 176.83 175.08 2aby h ASP 30 N 0.34 0.00 -2.57 4.97 3.04 -0.31 -3.33 116.42 118.55 2aby h ASP 30 Ca -0.08 0.00 -0.67 0.00 -3.24 0.00 0.00 57.03 53.04 2aby h ASP 30 Cb 1.44 0.00 -0.37 0.00 -1.04 0.00 0.00 39.33 39.36 2aby h ASP 30 CO 0.16 0.00 -0.15 0.49 -2.04 0.00 0.00 179.24 177.70 2aby n PHE 31 N -2.63 3.33 0.34 4.15 3.72 0.18 -4.85 117.46 121.69 2aby n PHE 31 Ca 0.03 -3.73 0.14 0.00 -0.05 0.00 0.00 57.45 53.84 2aby n PHE 31 Cb 0.35 -0.82 0.59 0.00 -0.94 0.00 0.00 39.48 38.66 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 4.80 0.00 0.00 -1.08 0.13 -1.69 -2.91 132.00 131.25 2aby h PRO 32 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 2aby h PRO 32 Cb 0.67 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.80 2aby h PRO 32 CO 0.97 0.00 0.00 0.22 -0.23 0.00 0.00 178.00 178.96 2aby h ASP 33 N 0.00 0.00 -0.31 1.44 1.82 -1.91 -3.45 116.42 114.01 2aby h ASP 33 Ca 0.00 0.00 -0.13 0.00 -0.39 0.00 0.00 57.03 56.51 2aby h ASP 33 Cb 0.42 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 40.37 2aby h ASP 33 CO 0.00 0.00 -0.12 0.18 -1.61 0.00 0.00 179.24 177.69 2aby n LEU 34 N -2.77 -0.06 -0.44 2.28 4.32 -1.10 -4.82 117.00 114.41 2aby n LEU 34 Ca -0.02 0.16 0.14 0.00 -0.02 0.00 0.00 56.01 56.27 2aby n LEU 34 Cb 0.06 -2.08 0.47 0.00 -1.62 0.00 0.00 43.42 40.26 2aby n LEU 34 CO 0.16 -0.76 0.80 -0.90 -1.22 0.00 0.00 177.39 175.48 2aby n ASP 35 N -0.62 1.45 -4.72 -1.43 5.68 -1.26 -4.90 116.55 110.75 2aby n ASP 35 Ca -0.07 -1.37 -0.42 0.00 -0.50 0.00 0.00 54.79 52.44 2aby n ASP 35 Cb 0.42 0.04 -0.03 0.00 -1.14 0.00 0.00 41.12 40.41 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 -2.13 3.69 -0.87 2.12 2.07 -1.26 -4.32 121.20 120.50 2aby s ILE 36 Ca 0.34 1.27 0.00 0.00 -1.41 0.00 0.00 60.65 60.85 2aby s ILE 36 Cb 0.21 -3.81 0.25 0.00 0.13 0.00 0.00 42.46 39.23 2aby s ILE 36 CO 0.38 0.13 0.95 0.29 -1.91 0.00 0.00 174.94 174.78 2aby n LYS 37 N 3.48 3.07 -4.37 3.50 4.01 -0.22 -5.04 118.16 122.59 2aby n LYS 37 Ca 0.08 -4.56 -0.27 0.00 -0.51 0.00 0.00 58.31 53.05 2aby n LYS 37 Cb 0.45 -2.39 -0.13 0.00 -0.51 0.00 0.00 35.03 32.45 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 -2.06 2.13 0.06 2.13 5.04 -1.26 -0.57 117.35 122.81 2aby s TYR 38 Ca 0.32 -0.39 -0.26 0.00 -2.44 0.00 0.00 57.07 54.30 2aby s TYR 38 Cb 0.02 -1.16 0.07 0.00 0.35 0.00 0.00 41.96 41.24 2aby s TYR 38 CO -0.04 0.29 0.62 1.21 -1.34 0.00 0.00 175.55 176.29 2aby s ASN 39 N -1.98 -0.59 -0.17 4.32 3.04 -0.07 -4.99 114.94 114.50 2aby s ASN 39 Ca 0.11 0.31 0.01 0.00 0.04 0.00 0.00 52.86 53.33 2aby s ASN 39 Cb -0.10 0.56 0.02 0.00 -1.54 0.00 0.00 41.25 40.19 2aby s ASN 39 CO 0.05 -0.80 -0.18 0.27 -3.04 0.00 0.00 177.10 173.41 2aby s ILE 40 N -2.57 1.89 0.07 -5.21 -4.36 -1.26 -1.18 121.20 108.57 2aby s ILE 40 Ca -0.05 -0.83 0.06 0.00 -0.26 0.00 0.00 60.65 59.57 2aby s ILE 40 Cb -0.01 -1.72 -0.03 0.00 1.25 0.00 0.00 42.46 41.95 2aby s ILE 40 CO -0.02 0.51 -0.16 0.72 0.24 0.00 0.00 174.94 176.23 2aby s PHE 41 N 1.34 1.36 -0.17 1.37 -0.12 -0.43 -1.79 117.98 119.54 2aby s PHE 41 Ca 0.04 -0.42 -0.04 0.00 -0.05 0.00 0.00 56.93 56.46 2aby s PHE 41 Cb -0.13 -0.77 -0.03 0.00 -0.63 0.00 0.00 43.02 41.46 2aby s PHE 41 CO -0.12 0.08 -0.02 -1.17 -0.05 0.00 0.00 175.22 173.95 2aby s LEU 42 N -1.59 3.30 -0.12 -1.99 0.20 0.18 -1.54 118.68 117.12 2aby s LEU 42 Ca 0.01 -0.13 -0.06 0.00 0.69 0.00 0.00 54.13 54.64 2aby s LEU 42 Cb -0.09 -1.81 -0.04 0.00 -0.43 0.00 0.00 46.19 43.82 2aby s LEU 42 CO 0.02 0.14 0.10 0.68 -0.29 0.00 0.00 176.35 177.00 2aby s VAL 43 N 0.54 5.15 -0.19 1.68 -7.23 -0.10 -1.30 120.40 118.95 2aby s VAL 43 Ca -0.02 0.08 -0.02 0.00 -1.81 0.00 0.00 61.98 60.21 2aby s VAL 43 Cb -0.14 -3.25 0.06 0.00 0.56 0.00 0.00 36.38 33.61 2aby s VAL 43 CO 0.02 0.59 0.00 1.51 -0.31 0.00 0.00 175.10 176.91 2aby s ASP 44 N -0.75 2.98 0.03 4.85 1.47 -1.25 -0.76 116.67 123.25 2aby s ASP 44 Ca 0.13 -0.82 -0.16 0.00 1.18 0.00 0.00 52.55 52.88 2aby s ASP 44 Cb -0.12 -0.74 0.03 0.00 -0.34 0.00 0.00 42.92 41.75 2aby s ASP 44 CO 0.03 -0.27 0.36 -0.22 0.68 0.00 0.00 175.17 175.75 2aby s LEU 45 N 1.75 0.64 -1.37 2.11 1.98 -0.59 -4.90 118.68 118.30 2aby s LEU 45 Ca -0.01 -0.05 -0.02 0.00 -2.89 0.00 0.00 54.13 51.17 2aby s LEU 45 Cb -0.17 1.53 0.00 0.00 0.66 0.00 0.00 46.19 48.21 2aby s LEU 45 CO -0.07 -0.61 0.20 -1.22 -1.89 0.00 0.00 176.35 172.76 2aby n TYR 46 N 0.67 -1.13 -1.66 5.38 4.01 -1.26 -1.84 117.16 121.34 2aby n TYR 46 Ca -0.19 0.17 -0.16 0.00 -0.16 0.00 0.00 57.90 57.57 2aby n TYR 46 Cb 0.59 -3.58 -0.05 0.00 -0.31 0.00 0.00 39.34 35.98 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 -1.17 1.13 3.23 2.72 0.00 -1.26 -4.99 105.19 104.86 2aby n GLY 47 Ca -0.16 -0.27 -0.15 0.00 0.00 0.00 0.00 46.02 45.44 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 -3.68 1.00 0.01 1.61 -1.52 -0.77 -5.16 119.66 111.16 2aby s GLN 48 Ca 0.00 -1.32 0.07 0.00 -1.95 0.00 0.00 55.36 52.16 2aby s GLN 48 Cb 0.00 -0.69 -0.03 0.00 -0.22 0.00 0.00 33.01 32.08 2aby s GLN 48 CO 0.00 0.11 -0.22 0.15 -0.25 0.00 0.00 175.29 175.08 2aby s LYS 49 N -3.20 2.06 -0.02 2.91 3.01 -1.26 -1.54 119.74 121.69 2aby s LYS 49 Ca 0.12 -0.97 -0.10 0.00 -1.01 0.00 0.00 55.97 54.01 2aby s LYS 49 Cb -0.01 -2.12 0.01 0.00 -1.01 0.00 0.00 37.83 34.71 2aby s LYS 49 CO 0.01 0.55 0.21 0.71 0.51 0.00 0.00 175.35 177.34 2aby s TYR 50 N -0.78 -0.09 -0.18 3.18 1.51 0.06 -4.92 117.35 116.13 2aby s TYR 50 Ca 0.12 0.15 -0.08 0.00 -1.01 0.00 0.00 57.07 56.25 2aby s TYR 50 Cb -0.10 0.02 -0.04 0.00 -0.11 0.00 0.00 41.96 41.73 2aby s TYR 50 CO 0.02 -0.28 0.08 -0.06 -1.11 0.00 0.00 175.55 174.20 2aby s PHE 51 N -1.04 3.30 0.01 2.71 0.40 -0.74 -0.93 117.98 121.70 2aby s PHE 51 Ca -0.11 0.16 0.03 0.00 -0.60 0.00 0.00 56.93 56.41 2aby s PHE 51 Cb -0.06 -2.08 -0.01 0.00 0.51 0.00 0.00 43.02 41.38 2aby s PHE 51 CO 0.02 0.23 -0.09 0.50 0.70 0.00 0.00 175.22 176.58 2aby s ARG 52 N 0.24 0.64 -0.03 0.44 3.00 -0.59 -0.59 118.95 122.06 2aby s ARG 52 Ca 0.05 -0.47 0.03 0.00 -1.00 0.00 0.00 55.73 54.34 2aby s ARG 52 Cb -0.12 -0.57 0.00 0.00 0.00 0.00 0.00 34.95 34.26 2aby s ARG 52 CO -0.00 0.15 -0.10 0.96 0.00 0.00 0.00 175.30 176.30 2aby s ILE 53 N -0.58 0.89 -0.21 4.11 -5.25 0.04 -1.31 121.20 118.89 2aby s ILE 53 Ca -0.00 -0.41 0.00 0.00 -0.99 0.00 0.00 60.65 59.25 2aby s ILE 53 Cb -0.05 -0.79 0.02 0.00 2.95 0.00 0.00 42.46 44.59 2aby s ILE 53 CO 0.00 0.28 -0.14 -0.22 -1.79 0.00 0.00 174.94 173.07 2aby s LEU 54 N 0.25 2.60 -0.17 0.37 0.20 -0.32 -1.90 118.68 119.71 2aby s LEU 54 Ca -0.05 -0.76 0.01 0.00 0.69 0.00 0.00 54.13 54.02 2aby s LEU 54 Cb -0.10 -1.56 0.03 0.00 -0.43 0.00 0.00 46.19 44.13 2aby s LEU 54 CO 0.01 -0.05 -0.15 0.12 -0.29 0.00 0.00 176.35 175.98 2aby s PHE 55 N 1.29 2.49 0.05 5.38 5.36 -0.50 -0.90 117.98 131.16 2aby s PHE 55 Ca 0.02 -1.50 0.02 0.00 -0.96 0.00 0.00 56.93 54.51 2aby s PHE 55 Cb -0.15 -1.74 -0.03 0.00 -0.34 0.00 0.00 43.02 40.77 2aby s PHE 55 CO -0.09 -0.74 -0.07 1.14 -1.46 0.00 0.00 175.22 173.99 2aby s GLN 56 N 1.38 0.56 0.54 10.12 -2.07 0.26 0.04 119.66 130.49 2aby s GLN 56 Ca 0.03 -0.84 0.06 0.00 -1.82 0.00 0.00 55.36 52.79 2aby s GLN 56 Cb -0.14 -0.24 0.04 0.00 -1.09 0.00 0.00 33.01 31.59 2aby s GLN 56 CO -0.11 0.03 0.45 -1.12 -1.32 0.00 0.00 175.29 173.22 2aby s SER 57 N -1.81 4.70 0.01 12.60 0.01 -1.21 -1.05 113.70 126.95 2aby s SER 57 Ca -0.07 -1.17 0.22 0.00 1.31 0.00 0.00 55.95 56.24 2aby s SER 57 Cb -0.07 0.35 -0.02 0.00 0.21 0.00 0.00 66.02 66.48 2aby s SER 57 CO -0.01 -1.11 1.00 1.17 0.41 0.00 0.00 173.24 174.70 2aby n LYS 58 N -1.81 0.15 0.00 12.44 3.00 -1.26 -3.98 118.16 126.70 2aby n LYS 58 Ca 0.01 -0.02 0.12 0.00 -0.00 0.00 0.00 58.31 58.42 2aby n LYS 58 Cb 0.64 -1.53 0.27 0.00 0.00 0.00 0.00 35.03 34.41 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 -1.71 1.19 -1.69 1.64 4.76 -1.26 -4.95 118.16 116.14 2aby n LYS 59 Ca 0.03 -0.83 -0.56 0.00 -2.87 0.00 0.00 58.31 54.08 2aby n LYS 59 Cb 0.38 -1.48 -0.07 0.00 -1.84 0.00 0.00 35.03 32.02 2aby n LYS 59 CO 0.00 0.00 0.00 1.47 -1.37 0.00 0.00 177.40 177.50 2aby n LEU 60 N -0.18 2.33 -4.66 -0.35 -0.00 -0.82 -4.82 117.00 108.49 2aby n LEU 60 Ca 0.13 1.08 -0.30 0.00 -0.00 0.00 0.00 56.01 56.91 2aby n LEU 60 Cb 0.40 -1.16 -0.08 0.00 -0.00 0.00 0.00 43.42 42.58 2aby n LEU 60 CO 0.24 -0.50 -0.35 -0.44 -0.00 0.00 0.00 177.39 176.34 2aby s SER 61 N 3.14 4.90 0.12 1.45 0.01 -1.26 -5.03 113.70 117.03 2aby s SER 61 Ca 0.96 -0.20 -0.12 0.00 1.31 0.00 0.00 55.95 57.90 2aby s SER 61 Cb -1.04 -1.13 -0.09 0.00 0.21 0.00 0.00 66.02 63.96 2aby s SER 61 CO 0.63 0.19 1.40 -0.33 0.41 0.00 0.00 173.24 175.53 2aby h GLU 62 N 3.58 0.88 0.00 12.44 5.08 -2.00 -3.45 114.58 131.11 2aby h GLU 62 Ca -0.48 -0.57 0.00 0.00 -1.00 0.00 0.00 59.36 57.31 2aby h GLU 62 Cb 1.17 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.49 2aby h GLU 62 CO 0.58 1.20 0.00 1.28 -1.00 0.00 0.00 179.01 181.07 2aby n LEU 63 N -4.00 0.00 -2.60 1.33 4.32 -1.26 -4.82 117.00 109.97 2aby n LEU 63 Ca -0.05 0.00 -0.03 0.00 -0.02 0.00 0.00 56.01 55.91 2aby n LEU 63 Cb 0.64 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.44 2aby n LEU 63 CO 0.51 -0.42 0.14 1.41 -1.22 0.00 0.00 177.39 177.81 2aby n HIS 64 N -1.61 -2.49 -0.10 -1.77 8.25 -1.26 -4.91 115.22 111.32 2aby n HIS 64 Ca 0.00 0.98 -0.13 0.00 -0.26 0.00 0.00 57.72 58.31 2aby n HIS 64 Cb 0.00 -3.49 -0.04 0.00 1.12 0.00 0.00 29.99 27.58 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 0.99 0.74 -0.20 -0.41 0.13 -1.96 -3.01 132.00 128.28 2aby h PRO 65 Ca 0.00 -0.39 0.06 0.00 -0.87 0.00 0.00 66.00 64.80 2aby h PRO 65 Cb 0.87 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.01 2aby h PRO 65 CO 0.19 1.01 0.17 0.93 -0.23 0.00 0.00 178.00 180.07 2aby h GLU 66 N 0.50 0.00 -0.17 0.86 4.39 -2.01 -1.32 114.58 116.83 2aby h GLU 66 Ca 0.05 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.57 2aby h GLU 66 Cb 0.87 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.53 2aby h GLU 66 CO 0.07 0.00 -0.60 0.93 -1.16 0.00 0.00 179.01 178.25 2aby h GLU 67 N 0.00 0.70 0.01 2.33 4.39 -1.89 -2.43 114.58 117.68 2aby h GLU 67 Ca 0.09 -0.53 0.03 0.00 0.34 0.00 0.00 59.36 59.29 2aby h GLU 67 Cb 0.43 0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 29.14 2aby h GLU 67 CO -0.00 1.15 -0.23 0.00 -1.16 0.00 0.00 179.01 178.76 2aby h ARG 68 N 0.40 -0.36 -0.30 2.33 3.08 -1.21 -0.25 114.38 118.06 2aby h ARG 68 Ca -0.03 0.02 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 2aby h ARG 68 Cb 1.23 0.08 -0.02 0.00 0.08 0.00 0.00 29.97 31.34 2aby h ARG 68 CO 0.13 -0.24 -0.02 1.57 -1.07 0.00 0.00 179.97 180.33 2aby h LYS 69 N -0.37 0.46 0.32 0.04 2.10 -1.60 -0.99 116.57 116.53 2aby h LYS 69 Ca 0.06 -0.10 -0.02 0.00 -2.00 0.00 0.00 60.65 58.60 2aby h LYS 69 Cb 0.45 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 31.71 2aby h LYS 69 CO -0.21 0.51 -0.15 -0.22 -2.00 0.00 0.00 179.45 177.38 2aby h LYS 70 N 0.45 -0.41 -0.18 0.07 3.64 -0.81 -1.52 116.57 117.80 2aby h LYS 70 Ca 0.10 0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.42 2aby h LYS 70 Cb 0.33 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 2aby h LYS 70 CO 0.01 -0.23 -0.24 -0.39 -2.27 0.00 0.00 179.45 176.33 2aby h VAL 71 N -0.49 1.24 -0.07 2.00 -1.51 -0.94 -1.08 116.25 115.40 2aby h VAL 71 Ca -0.04 -1.14 -0.00 0.00 -1.23 0.00 0.00 66.70 64.28 2aby h VAL 71 Cb 0.37 1.37 -0.00 0.00 -2.13 0.00 0.00 31.29 30.90 2aby h VAL 71 CO 0.07 0.35 0.04 0.03 -1.23 0.00 0.00 177.57 176.83 2aby h ARG 72 N 0.29 0.09 -0.14 5.19 2.47 -0.96 -0.63 114.38 120.70 2aby h ARG 72 Ca 0.05 -0.01 -0.16 0.00 -1.26 0.00 0.00 59.98 58.60 2aby h ARG 72 Cb 0.59 -0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.88 2aby h ARG 72 CO 0.04 0.12 -0.59 1.05 0.56 0.00 0.00 179.97 181.16 2aby h GLU 73 N 0.03 0.44 0.30 0.04 4.11 -1.18 -0.74 114.58 117.59 2aby h GLU 73 Ca 0.02 -0.29 -0.01 0.00 0.07 0.00 0.00 59.36 59.14 2aby h GLU 73 Cb 0.06 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.35 2aby h GLU 73 CO -0.00 0.90 -0.14 -0.22 0.07 0.00 0.00 179.01 179.61 2aby h LYS 74 N 0.33 -0.39 -0.16 1.06 3.11 -0.99 -0.76 116.57 118.77 2aby h LYS 74 Ca -0.00 0.03 -0.14 0.00 -2.81 0.00 0.00 60.65 57.72 2aby h LYS 74 Cb 1.12 0.09 -0.01 0.00 -1.00 0.00 0.00 32.23 32.43 2aby h LYS 74 CO 0.10 -0.22 -0.50 0.27 -2.81 0.00 0.00 179.45 176.29 2aby h PHE 75 N -0.45 0.55 -0.05 1.91 -5.15 -1.16 -1.54 116.94 111.04 2aby h PHE 75 Ca -0.04 -0.18 0.00 0.00 -0.20 0.00 0.00 57.97 57.55 2aby h PHE 75 Cb 0.34 -0.11 -0.00 0.00 0.22 0.00 0.00 35.95 36.40 2aby h PHE 75 CO -0.04 0.86 0.02 0.22 -2.00 0.00 0.00 178.31 177.36 2aby h ASP 76 N 0.35 0.03 -0.06 -0.68 3.58 -0.98 -0.74 116.42 117.93 2aby h ASP 76 Ca 0.02 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.45 2aby h ASP 76 Cb 1.00 -0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.05 2aby h ASP 76 CO 0.09 0.03 -0.06 -0.33 -2.88 0.00 0.00 179.24 176.09 2aby h GLU 77 N 0.05 0.14 -0.98 0.28 4.39 -1.13 -1.14 114.58 116.19 2aby h GLU 77 Ca 0.02 -0.07 0.18 0.00 0.34 0.00 0.00 59.36 59.83 2aby h GLU 77 Cb 0.01 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 28.57 2aby h GLU 77 CO -0.02 0.58 0.61 -0.97 -1.16 0.00 0.00 179.01 178.06 2aby h ASN 78 N -0.30 0.71 0.02 1.42 -0.73 -1.22 0.42 115.58 115.91 2aby h ASN 78 Ca 0.01 0.07 -0.20 0.00 1.87 0.00 0.00 56.30 58.05 2aby h ASN 78 Cb 0.56 -0.06 0.02 0.00 0.27 0.00 0.00 38.32 39.11 2aby h ASN 78 CO 0.01 0.28 -0.81 0.28 -0.37 0.00 0.00 177.43 176.83 2aby h SER 79 N 0.71 0.67 0.52 1.15 0.02 -1.08 -3.13 113.55 112.41 2aby h SER 79 Ca 0.54 -0.78 0.00 0.00 -0.84 0.00 0.00 61.79 60.71 2aby h SER 79 Cb 0.91 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.24 2aby h SER 79 CO -0.31 1.36 0.00 -2.11 -1.14 0.00 0.00 176.83 174.63 2aby n ARG 80 N -4.07 0.09 -1.17 3.45 -4.01 -0.44 -4.86 116.66 105.65 2aby n ARG 80 Ca -0.11 0.17 -0.37 0.00 -1.04 0.00 0.00 57.85 56.49 2aby n ARG 80 Cb 0.77 -1.50 0.03 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 -1.43 0.06 -1.29 2.89 2.81 0.14 -4.82 117.12 115.48 2aby n MET 81 Ca 0.06 0.03 -0.36 0.00 -1.81 0.00 0.00 57.70 55.62 2aby n MET 81 Cb 0.19 -1.20 0.07 0.00 -0.71 0.00 0.00 33.22 31.56 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 1.26 0.34 -0.32 0.03 3.00 -1.26 -4.65 117.38 115.78 2aby n GLN 82 Ca 0.05 0.15 -0.01 0.00 -0.01 0.00 0.00 57.00 57.18 2aby n GLN 82 Cb 0.51 -1.83 0.15 0.00 0.00 0.00 0.00 30.24 29.07 2aby n GLN 82 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.06 176.14 2aby h TYR 83 N -0.29 1.15 -0.24 1.08 3.20 -1.96 0.18 116.97 120.09 2aby h TYR 83 Ca -0.46 0.02 0.06 0.00 3.14 0.00 0.00 58.73 61.49 2aby h TYR 83 Cb 1.35 -0.39 -0.06 0.00 1.54 0.00 0.00 36.73 39.18 2aby h TYR 83 CO 0.34 0.74 -0.13 0.77 -1.64 0.00 0.00 178.16 178.25 2aby h SER 84 N 1.23 -0.42 0.35 -2.11 0.02 -1.99 0.34 113.55 110.97 2aby h SER 84 Ca 0.33 0.10 -0.16 0.00 -0.84 0.00 0.00 61.79 61.22 2aby h SER 84 Cb -0.11 0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 2aby h SER 84 CO -0.07 -0.16 -0.66 -0.08 -1.14 0.00 0.00 176.83 174.72 2aby h GLU 85 N -0.10 0.29 -0.54 3.45 4.57 -1.84 -1.22 114.58 119.19 2aby h GLU 85 Ca 0.13 -0.22 -0.05 0.00 -1.18 0.00 0.00 59.36 58.05 2aby h GLU 85 Cb 0.30 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.90 2aby h GLU 85 CO -0.31 0.85 0.15 1.25 -1.18 0.00 0.00 179.01 179.78 2aby h LEU 86 N 0.21 0.81 -0.07 1.64 7.12 -0.18 0.26 115.31 125.09 2aby h LEU 86 Ca -0.02 -0.22 -0.11 0.00 0.13 0.00 0.00 57.88 57.67 2aby h LEU 86 Cb 1.20 -0.21 -0.02 0.00 -0.53 0.00 0.00 40.66 41.10 2aby h LEU 86 CO 0.11 0.81 -0.51 0.24 -0.13 0.00 0.00 178.44 178.96 2aby h MET 87 N 0.76 0.00 0.02 1.25 2.86 -0.35 -3.20 114.93 116.27 2aby h MET 87 Ca 0.17 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.76 2aby h MET 87 Cb 0.31 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.97 2aby h MET 87 CO -0.00 0.51 -0.21 1.15 1.06 0.00 0.00 176.91 179.42 2aby h THR 88 N 0.00 1.63 0.00 2.22 2.02 -0.93 0.34 112.91 118.19 2aby h THR 88 Ca -0.01 -2.13 0.00 0.00 0.77 0.00 0.00 66.41 65.04 2aby h THR 88 Cb 1.36 3.04 0.00 0.00 -1.74 0.00 0.00 68.15 70.81 2aby h THR 88 CO 0.07 0.57 0.00 1.17 0.37 0.00 0.00 175.52 177.70 2aby n LYS 89 N -4.52 0.01 -0.08 6.66 3.00 0.88 0.12 118.16 124.23 2aby n LYS 89 Ca -0.10 0.40 -0.15 0.00 -0.00 0.00 0.00 58.31 58.47 2aby n LYS 89 Cb 0.52 -1.53 -0.06 0.00 0.00 0.00 0.00 35.03 33.96 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 -1.55 0.00 0.36 5.64 9.36 -1.21 -3.69 117.16 126.07 2aby n TYR 90 Ca 0.01 0.00 0.12 0.00 3.32 0.00 0.00 57.90 61.36 2aby n TYR 90 Cb 0.08 -0.57 0.25 0.00 -0.63 0.00 0.00 39.34 38.46 2aby n TYR 90 CO 0.00 0.00 0.00 1.25 0.22 0.00 0.00 176.86 178.33 2aby h HIS 91 N -0.35 0.00 0.00 2.98 2.76 -0.16 -3.10 115.15 117.29 2aby h HIS 91 Ca -0.38 0.00 -0.38 0.00 -2.20 0.00 0.00 60.37 57.42 2aby h HIS 91 Cb 1.42 0.00 -0.06 0.00 1.55 0.00 0.00 27.41 30.32 2aby h HIS 91 CO -0.02 0.00 -2.06 -3.47 -1.30 0.00 0.00 177.93 171.07 2aby n ASP 92 N -2.82 1.92 0.16 3.26 2.03 0.32 -4.31 116.55 117.12 2aby n ASP 92 Ca 0.05 0.36 0.17 0.00 0.52 0.00 0.00 54.79 55.89 2aby n ASP 92 Cb 0.50 -0.87 0.77 0.00 -0.72 0.00 0.00 41.12 40.80 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 -0.97 0.00 -0.17 -2.67 -0.00 -1.63 0.28 115.31 110.14 2aby h LEU 93 Ca -0.57 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.31 2aby h LEU 93 Cb 1.51 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.17 2aby h LEU 93 CO -0.34 0.00 0.00 2.29 -0.00 0.00 0.00 178.44 180.39 2aby n LYS 94 N -4.03 0.04 -0.17 1.13 -0.00 -1.17 -2.95 118.16 111.02 2aby n LYS 94 Ca 0.03 0.33 -0.01 0.00 -0.00 0.00 0.00 58.31 58.66 2aby n LYS 94 Cb 0.37 -1.58 0.07 0.00 -0.00 0.00 0.00 35.03 33.89 2aby n LYS 94 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.40 178.27 2aby h LYS 95 N 0.00 0.13 0.00 -1.58 1.79 -0.66 -2.90 116.57 113.36 2aby h LYS 95 Ca 0.00 -0.01 -0.04 0.00 -2.18 0.00 0.00 60.65 58.42 2aby h LYS 95 Cb 0.22 -0.03 -0.09 0.00 -1.58 0.00 0.00 32.23 30.75 2aby h LYS 95 CO 0.00 0.09 -0.61 1.04 -1.08 0.00 0.00 179.45 178.89 2aby n GLN 96 N -5.22 1.22 -2.76 3.15 1.13 -1.19 -4.89 117.38 108.82 2aby n GLN 96 Ca 0.06 -2.99 -0.03 0.00 -1.94 0.00 0.00 57.00 52.11 2aby n GLN 96 Cb 0.29 -1.25 0.02 0.00 0.11 0.00 0.00 30.24 29.41 2aby n GLN 96 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 2aby s GLY 97 N -2.94 -1.58 1.34 1.08 0.00 -1.09 -5.16 107.32 98.97 2aby s GLY 97 Ca 0.37 0.22 -0.20 0.00 0.00 0.00 0.00 44.72 45.10 2aby s GLY 97 CO -0.09 4.01 0.78 0.58 0.00 0.00 0.00 173.10 178.38 2aby n LYS 98 N 2.96 -3.95 -4.19 2.90 2.85 -1.25 -4.09 118.16 113.40 2aby n LYS 98 Ca 0.14 -1.16 -0.12 0.00 -1.05 0.00 0.00 58.31 56.11 2aby n LYS 98 Cb 0.61 -1.89 -0.09 0.00 -0.65 0.00 0.00 35.03 33.00 2aby n LYS 98 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 177.40 178.31 2aby s ILE 99 N -2.16 0.00 0.01 0.58 -4.36 -1.26 -4.78 121.20 109.23 2aby s ILE 99 Ca 0.62 -1.95 0.07 0.00 -0.26 0.00 0.00 60.65 59.13 2aby s ILE 99 Cb -0.14 -2.48 -0.02 0.00 1.25 0.00 0.00 42.46 41.07 2aby s ILE 99 CO 0.55 0.00 -0.21 -0.54 0.24 0.00 0.00 174.94 174.98 2aby s LYS 100 N -4.09 1.59 -0.76 0.37 -0.14 -1.26 -5.09 119.74 110.35 2aby s LYS 100 Ca 0.38 -0.83 -0.07 0.00 -1.36 0.00 0.00 55.97 54.09 2aby s LYS 100 Cb 0.06 -1.60 0.20 0.00 -1.68 0.00 0.00 37.83 34.80 2aby s LYS 100 CO 0.13 0.43 0.64 0.34 -0.76 0.00 0.00 175.35 176.12 2aby s ASP 101 N -0.76 5.96 0.69 2.83 2.15 -1.26 -4.84 116.67 121.44 2aby s ASP 101 Ca 0.08 -2.98 -0.12 0.00 0.43 0.00 0.00 52.55 49.95 2aby s ASP 101 Cb -0.08 -2.00 0.01 0.00 -0.30 0.00 0.00 42.92 40.55 2aby s ASP 101 CO 0.00 -0.40 1.07 -0.13 -0.17 0.00 0.00 175.17 175.55 2aby s ARG 102 N -0.26 2.80 0.63 4.34 1.81 -1.26 -5.02 118.95 121.99 2aby s ARG 102 Ca 0.20 1.12 -0.16 0.00 -1.72 0.00 0.00 55.73 55.17 2aby s ARG 102 Cb -0.14 -1.97 -0.01 0.00 -0.45 0.00 0.00 34.95 32.38 2aby s ARG 102 CO -0.07 -1.22 1.11 -1.25 -0.68 0.00 0.00 175.30 173.20 2aby s PRO 103 N -4.69 2.92 0.06 3.54 0.04 -1.26 -5.02 135.00 130.59 2aby s PRO 103 Ca 0.61 1.44 -0.24 0.00 0.04 0.00 0.00 61.00 62.85 2aby s PRO 103 Cb -0.16 -1.96 -0.06 0.00 0.04 0.00 0.00 34.50 32.36 2aby s PRO 103 CO 0.50 -1.16 0.72 0.54 0.04 0.00 0.00 177.00 177.63 2aby s VAL 104 N -2.21 4.69 0.17 -0.36 0.11 -1.26 -4.82 120.40 116.72 2aby s VAL 104 Ca 0.68 1.53 -0.18 0.00 -2.93 0.00 0.00 61.98 61.08 2aby s VAL 104 Cb -0.21 -4.06 -0.08 0.00 -1.53 0.00 0.00 36.38 30.50 2aby s VAL 104 CO 0.38 0.43 0.65 -0.54 -3.33 0.00 0.00 175.10 172.68 2aby s LYS 105 N -0.40 4.18 0.13 1.54 -0.14 -0.74 -4.81 119.74 119.50 2aby s LYS 105 Ca 0.36 0.75 -0.28 0.00 -1.36 0.00 0.00 55.97 55.44 2aby s LYS 105 Cb -0.20 -2.98 -0.07 0.00 -1.68 0.00 0.00 37.83 32.90 2aby s LYS 105 CO 0.22 0.47 0.86 -1.21 -0.76 0.00 0.00 175.35 174.94 2aby s GLU 106 N -1.77 4.65 -0.06 1.68 0.41 -1.26 0.47 118.70 122.81 2aby s GLU 106 Ca 0.38 1.29 0.00 0.00 -0.41 0.00 0.00 54.97 56.24 2aby s GLU 106 Cb -0.17 -3.33 -0.03 0.00 -1.78 0.00 0.00 34.13 28.82 2aby s GLU 106 CO 0.20 0.37 -0.03 0.08 -0.49 0.00 0.00 175.26 175.39 2aby s VAL 107 N -0.51 3.98 0.48 2.63 1.01 -0.42 -4.88 120.40 122.69 2aby s VAL 107 Ca 0.41 -0.42 0.02 0.00 0.00 0.00 0.00 61.98 61.99 2aby s VAL 107 Cb -0.23 -2.67 -0.03 0.00 0.00 0.00 0.00 36.38 33.46 2aby s VAL 107 CO 0.28 0.56 0.02 -1.00 0.00 0.00 0.00 175.10 174.96 2aby s HIS 108 N -0.88 1.95 -0.18 5.22 3.76 -1.26 -3.95 115.29 119.95 2aby s HIS 108 Ca 0.14 -0.96 -0.29 0.00 -0.15 0.00 0.00 55.06 53.79 2aby s HIS 108 Cb -0.11 -1.56 -0.00 0.00 1.11 0.00 0.00 32.58 32.01 2aby s HIS 108 CO 0.03 0.18 1.07 -1.21 -0.85 0.00 0.00 174.74 173.97 2aby s GLU 109 N -3.83 4.30 0.00 1.40 2.02 -1.26 -4.93 118.70 116.39 2aby s GLU 109 Ca 0.13 1.43 0.00 0.00 0.02 0.00 0.00 54.97 56.55 2aby s GLU 109 Cb 0.03 -3.63 0.00 0.00 0.10 0.00 0.00 34.13 30.63 2aby s GLU 109 CO 0.07 -0.56 0.00 -1.91 0.02 0.00 0.00 175.26 172.88 2aby n GLU 110 N 6.01 -0.83 -3.69 1.61 4.07 -1.26 -5.10 120.64 121.45 2aby n GLU 110 Ca 0.11 0.00 -0.29 0.00 -0.06 0.00 0.00 57.16 56.93 2aby n GLU 110 Cb 0.46 0.00 -0.12 0.00 -0.06 0.00 0.00 31.44 31.72 2aby n GLU 110 CO 0.00 0.00 0.00 0.71 -0.06 0.00 0.00 177.13 177.78 2aby s TYR 111 N -3.00 2.11 0.10 4.31 2.02 -1.26 -4.88 117.35 116.75 2aby s TYR 111 Ca 0.00 -2.57 0.00 0.00 -0.37 0.00 0.00 57.07 54.13 2aby s TYR 111 Cb 0.00 -1.87 0.00 0.00 -0.40 0.00 0.00 41.96 39.69 2aby s TYR 111 CO 0.00 -0.75 0.00 -3.47 -1.57 0.00 0.00 175.55 169.76 2aby n ASP 112 N 3.16 0.05 -3.10 2.29 2.03 -1.26 -5.11 116.55 114.61 2aby n ASP 112 Ca 0.14 0.16 0.00 0.00 0.52 0.00 0.00 54.79 55.62 2aby n ASP 112 Cb 0.37 0.09 0.00 0.00 -0.72 0.00 0.00 41.12 40.86 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 -2.97 0.00 -0.22 -2.67 4.77 -1.26 -4.89 117.00 109.76 2aby n LEU 113 Ca 0.00 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.91 2aby n LEU 113 Cb 0.07 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.23 2aby n LEU 113 CO 0.00 -1.35 0.92 -0.50 -1.33 0.00 0.00 177.39 175.14 2aby h TRP 114 N -1.84 1.13 -6.52 -1.77 -0.00 -2.01 -3.47 115.95 101.47 2aby h TRP 114 Ca 0.00 -0.14 -0.43 0.00 -0.00 0.00 0.00 58.89 58.31 2aby h TRP 114 Cb 0.00 -0.32 0.00 0.00 -0.00 0.00 0.00 29.16 28.85 2aby h TRP 114 CO 0.00 0.94 -1.04 -0.85 -0.00 0.00 0.00 178.44 177.49 2aby n GLU 115 N -4.22 -1.48 0.00 0.49 0.28 -1.26 -4.66 120.64 109.79 2aby n GLU 115 Ca 0.05 0.80 0.00 0.00 -0.16 0.00 0.00 57.16 57.85 2aby n GLU 115 Cb 0.28 -1.96 0.00 0.00 1.43 0.00 0.00 31.44 31.18 2aby n GLU 115 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2aby n ASP 116 N -1.88 0.00 0.02 -1.84 8.00 -1.26 -4.93 116.55 114.66 2aby n ASP 116 Ca -0.25 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.12 2aby n ASP 116 Cb 0.63 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.64 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 -0.08 0.00 -0.24 0.13 -1.88 -2.77 132.00 127.16 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 -4.90 0.34 0.12 -3.56 -0.00 -1.25 -1.66 119.36 108.44 2aby n ILE 118 Ca -0.08 -0.05 0.04 0.00 -0.00 0.00 0.00 62.75 62.66 2aby n ILE 118 Cb 0.25 -0.62 0.02 0.00 -0.00 0.00 0.00 39.64 39.30 2aby n ILE 118 CO 0.00 0.00 0.00 -0.50 -0.00 0.00 0.00 176.55 176.05 2aby h TRP 119 N 0.00 0.00 0.00 4.28 -0.00 -1.89 -3.41 115.95 114.93 2aby h TRP 119 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.89 2aby h TRP 119 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.70 2aby h TRP 119 CO 0.00 0.38 -0.41 0.94 -0.00 0.00 0.00 178.44 179.35 2aby n GLN 120 N -3.07 0.22 -3.62 0.49 -0.06 -1.05 -4.99 117.38 105.30 2aby n GLN 120 Ca -0.00 0.09 -0.14 0.00 -2.00 0.00 0.00 57.00 54.94 2aby n GLN 120 Cb 0.71 -0.83 -0.07 0.00 -4.06 0.00 0.00 30.24 25.99 2aby n GLN 120 CO 0.00 0.00 0.00 -0.47 -0.20 0.00 0.00 177.06 176.39 2aby s TYR 121 N -1.91 -0.77 0.00 3.69 5.04 -0.67 -5.11 117.35 117.62 2aby s TYR 121 Ca -0.12 1.82 0.00 0.00 -2.44 0.00 0.00 57.07 56.33 2aby s TYR 121 Cb 0.02 0.29 0.00 0.00 0.35 0.00 0.00 41.96 42.62 2aby s TYR 121 CO 0.18 -0.41 0.00 -0.89 -1.34 0.00 0.00 175.55 173.09