#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 2.02 -3.89 3.17 10.64 -1.26 -4.70 117.38 123.36 2aby n GLN 2 Ca 0.00 -4.12 0.04 0.00 -1.83 0.00 0.00 57.00 51.09 2aby n GLN 2 Cb 0.00 -1.92 0.01 0.00 -0.86 0.00 0.00 30.24 27.47 2aby n GLN 2 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.06 175.44 2aby s LYS 3 N -2.58 0.05 0.00 2.61 2.47 -1.26 -4.85 119.74 116.18 2aby s LYS 3 Ca 0.42 -0.03 0.00 0.00 -1.56 0.00 0.00 55.97 54.80 2aby s LYS 3 Cb 0.25 0.01 0.00 0.00 -1.46 0.00 0.00 37.83 36.64 2aby s LYS 3 CO -0.09 -0.02 0.00 0.41 0.16 0.00 0.00 175.35 175.81 2aby n GLY 4 N -0.83 0.90 3.36 5.54 0.00 -1.26 -5.00 105.19 107.89 2aby n GLY 4 Ca 0.01 -0.10 -0.19 0.00 0.00 0.00 0.00 46.02 45.74 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 2.55 -0.13 0.99 2.01 -1.26 -2.74 118.68 120.09 2aby s LEU 5 Ca 0.00 -1.01 -0.05 0.00 0.01 0.00 0.00 54.13 53.08 2aby s LEU 5 Cb 0.00 -0.73 -0.04 0.00 0.01 0.00 0.00 46.19 45.44 2aby s LEU 5 CO 0.00 -0.14 0.06 -1.61 1.01 0.00 0.00 176.35 175.67 2aby s GLU 6 N -3.56 3.48 -0.00 1.70 8.01 -1.26 -3.32 118.70 123.75 2aby s GLU 6 Ca 0.23 -0.31 -0.03 0.00 0.01 0.00 0.00 54.97 54.87 2aby s GLU 6 Cb -0.02 -3.06 -0.00 0.00 -4.31 0.00 0.00 34.13 26.74 2aby s GLU 6 CO 0.08 0.57 0.06 0.96 0.01 0.00 0.00 175.26 176.93 2aby s ILE 7 N -0.46 0.06 0.07 -1.63 -0.00 0.76 -5.00 121.20 114.99 2aby s ILE 7 Ca 0.10 -0.48 0.08 0.00 -0.00 0.00 0.00 60.65 60.35 2aby s ILE 7 Cb -0.12 -0.25 -0.03 0.00 -0.00 0.00 0.00 42.46 42.06 2aby s ILE 7 CO 0.02 -0.26 -0.23 0.00 -0.00 0.00 0.00 174.94 174.47 2aby s ALA 8 N -0.83 1.96 -0.01 2.27 0.00 -1.26 -1.26 121.76 122.64 2aby s ALA 8 Ca -0.09 -1.19 -0.00 0.00 0.00 0.00 0.00 51.96 50.67 2aby s ALA 8 Cb -0.05 -0.36 0.01 0.00 0.00 0.00 0.00 23.12 22.71 2aby s ALA 8 CO 0.00 0.44 0.01 0.12 0.00 0.00 0.00 175.76 176.33 2aby s PHE 9 N -0.90 -0.00 0.27 0.00 5.36 -0.67 -4.69 117.98 117.34 2aby s PHE 9 Ca 0.09 0.04 0.09 0.00 -0.96 0.00 0.00 56.93 56.19 2aby s PHE 9 Cb -0.09 -0.04 -0.04 0.00 -0.34 0.00 0.00 43.02 42.50 2aby s PHE 9 CO 0.03 -0.02 0.03 1.14 -1.46 0.00 0.00 175.22 174.94 2aby s GLN 10 N 0.21 2.39 0.04 10.12 -2.07 -1.26 -0.08 119.66 129.00 2aby s GLN 10 Ca -0.02 -1.38 -0.22 0.00 -1.82 0.00 0.00 55.36 51.93 2aby s GLN 10 Cb -0.03 -2.22 0.05 0.00 -1.09 0.00 0.00 33.01 29.73 2aby s GLN 10 CO -0.01 0.35 0.50 -0.08 -1.32 0.00 0.00 175.29 174.73 2aby s THR 11 N -2.31 0.03 0.26 3.63 -1.32 0.95 -4.86 115.64 112.03 2aby s THR 11 Ca 0.32 -0.29 -0.20 0.00 -1.21 0.00 0.00 61.69 60.31 2aby s THR 11 Cb -0.06 -0.95 0.06 0.00 -1.51 0.00 0.00 72.50 70.03 2aby s THR 11 CO 0.21 -0.16 0.88 0.27 -2.21 0.00 0.00 174.62 173.61 2aby s ILE 12 N -2.29 0.00 -1.78 5.08 -5.25 -1.26 -1.17 121.20 114.52 2aby s ILE 12 Ca -0.06 -0.82 0.00 0.00 -0.99 0.00 0.00 60.65 58.78 2aby s ILE 12 Cb -0.01 -2.53 0.00 0.00 2.95 0.00 0.00 42.46 42.87 2aby s ILE 12 CO -0.01 0.00 0.00 -3.20 -1.79 0.00 0.00 174.94 169.94 2aby n ASN 13 N -0.98 -5.45 -2.17 4.36 5.15 -1.26 -2.23 115.26 112.68 2aby n ASN 13 Ca -0.06 0.41 -0.12 0.00 -0.60 0.00 0.00 54.58 54.22 2aby n ASN 13 Cb 0.60 -4.43 -0.02 0.00 -0.53 0.00 0.00 39.78 35.40 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 -0.34 -0.08 0.13 8.20 0.00 -1.26 -4.81 105.19 107.03 2aby n GLY 14 Ca -0.17 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.60 2aby n GLY 14 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2aby n LEU 15 N -2.55 2.25 -0.09 0.99 -0.00 -0.95 -4.38 117.00 112.27 2aby n LEU 15 Ca -0.14 0.23 0.13 0.00 -0.00 0.00 0.00 56.01 56.23 2aby n LEU 15 Cb 0.56 -0.89 0.46 0.00 -0.00 0.00 0.00 43.42 43.54 2aby n LEU 15 CO 0.17 0.64 0.72 0.47 -0.00 0.00 0.00 177.39 179.39 2aby n ASP 16 N -3.97 0.52 -0.25 1.96 8.00 -1.25 -4.07 116.55 117.48 2aby n ASP 16 Ca -0.47 -0.38 0.05 0.00 0.71 0.00 0.00 54.79 54.70 2aby n ASP 16 Cb 0.89 0.00 0.18 0.00 -0.02 0.00 0.00 41.12 42.18 2aby n ASP 16 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 2aby h GLU 17 N 0.45 0.39 -0.64 -1.24 4.11 -1.86 -0.21 114.58 115.58 2aby h GLU 17 Ca 0.00 -0.02 0.02 0.00 0.07 0.00 0.00 59.36 59.42 2aby h GLU 17 Cb 0.45 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.58 2aby h GLU 17 CO 0.00 0.26 0.41 0.77 0.07 0.00 0.00 179.01 180.52 2aby h SER 18 N 0.40 0.69 -0.67 3.06 0.02 -1.85 -1.31 113.55 113.89 2aby h SER 18 Ca 0.41 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 61.31 2aby h SER 18 Cb 0.64 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.99 2aby h SER 18 CO -0.42 0.49 0.28 0.25 -1.14 0.00 0.00 176.83 176.30 2aby h LEU 19 N 0.83 0.93 0.39 5.07 7.12 -1.34 0.26 115.31 128.56 2aby h LEU 19 Ca 0.24 -0.13 -0.02 0.00 0.13 0.00 0.00 57.88 58.11 2aby h LEU 19 Cb -0.04 -0.24 0.00 0.00 -0.53 0.00 0.00 40.66 39.85 2aby h LEU 19 CO -0.07 0.82 -0.19 0.58 -0.13 0.00 0.00 178.44 179.45 2aby h VAL 20 N 1.00 0.60 -0.31 1.05 2.07 -0.58 0.22 116.25 120.30 2aby h VAL 20 Ca 0.23 -0.39 -0.06 0.00 0.82 0.00 0.00 66.70 67.30 2aby h VAL 20 Cb 0.18 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 2aby h VAL 20 CO -0.02 0.07 -0.08 0.06 0.02 0.00 0.00 177.57 177.62 2aby h GLN 21 N -0.76 0.50 0.12 1.57 3.07 -1.18 -0.90 115.11 117.54 2aby h GLN 21 Ca -0.05 -0.13 -0.01 0.00 0.09 0.00 0.00 58.65 58.55 2aby h GLN 21 Cb 0.52 -0.06 0.00 0.00 0.08 0.00 0.00 27.48 28.02 2aby h GLN 21 CO 0.09 0.59 -0.06 0.00 0.09 0.00 0.00 178.83 179.54 2aby h ALA 22 N 1.45 -0.16 -0.30 0.06 0.00 -0.42 -2.45 119.26 117.43 2aby h ALA 22 Ca 0.09 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 2aby h ALA 22 Cb 0.43 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 2aby h ALA 22 CO 0.02 -0.36 0.10 1.37 0.00 0.00 0.00 179.25 180.39 2aby h LEU 23 N -0.63 0.37 -0.24 0.00 8.10 -0.48 -0.46 115.31 121.97 2aby h LEU 23 Ca -0.02 -0.04 -0.03 0.00 0.11 0.00 0.00 57.88 57.91 2aby h LEU 23 Cb 0.49 -0.10 -0.01 0.00 -0.44 0.00 0.00 40.66 40.60 2aby h LEU 23 CO 0.03 0.36 0.05 0.00 -4.11 0.00 0.00 178.44 174.77 2aby h ALA 24 N 1.70 0.32 -0.12 0.17 0.00 -1.14 -1.44 119.26 118.74 2aby h ALA 24 Ca 0.10 -0.17 -0.16 0.00 0.00 0.00 0.00 54.91 54.68 2aby h ALA 24 Cb 0.12 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2aby h ALA 24 CO -0.01 -0.02 -0.60 0.78 0.00 0.00 0.00 179.25 179.41 2aby h GLY 25 N 0.21 0.45 0.74 0.00 0.00 -1.06 -1.55 103.07 101.85 2aby h GLY 25 Ca 0.07 -0.55 -0.01 0.00 0.00 0.00 0.00 47.33 46.85 2aby h GLY 25 CO 0.00 0.49 -0.06 -2.08 0.00 0.00 0.00 176.54 174.90 2aby h VAL 26 N 0.31 1.01 -0.53 4.60 2.07 -1.02 0.28 116.25 122.98 2aby h VAL 26 Ca -0.00 -0.56 -0.10 0.00 0.82 0.00 0.00 66.70 66.86 2aby h VAL 26 Cb 1.13 1.37 -0.02 0.00 -1.52 0.00 0.00 31.29 32.24 2aby h VAL 26 CO 0.10 0.13 -0.07 0.00 0.02 0.00 0.00 177.57 177.76 2aby h THR 27 N -0.43 1.26 -0.02 2.57 1.03 -1.32 0.13 112.91 116.14 2aby h THR 27 Ca -0.02 -1.18 -0.13 0.00 -0.01 0.00 0.00 66.41 65.07 2aby h THR 27 Cb 0.35 0.92 -0.02 0.00 -1.07 0.00 0.00 68.15 68.33 2aby h THR 27 CO 0.03 0.42 -0.58 0.00 -0.01 0.00 0.00 175.52 175.38 2aby h ALA 28 N 1.05 1.00 0.02 0.00 0.00 -1.25 0.48 119.26 120.58 2aby h ALA 28 Ca 0.15 -0.53 -0.08 0.00 0.00 0.00 0.00 54.91 54.45 2aby h ALA 28 Cb 0.60 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.30 2aby h ALA 28 CO 0.04 0.72 -0.34 1.03 0.00 0.00 0.00 179.25 180.70 2aby h SER 29 N 0.05 0.25 1.41 0.00 0.87 -0.18 -3.28 113.55 112.67 2aby h SER 29 Ca -0.00 -0.85 0.00 0.00 -1.23 0.00 0.00 61.79 59.71 2aby h SER 29 Cb 1.03 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.91 2aby h SER 29 CO 0.08 1.07 -0.12 -0.78 -0.53 0.00 0.00 176.83 176.55 2aby h ASP 30 N -0.53 0.00 -5.59 6.23 3.58 -1.01 -3.47 116.42 115.64 2aby h ASP 30 Ca -0.05 -0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.36 2aby h ASP 30 Cb 1.15 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.20 2aby h ASP 30 CO 0.07 0.02 0.00 2.22 -2.88 0.00 0.00 179.24 178.66 2aby n PHE 31 N -2.30 0.00 0.18 0.28 1.16 0.17 -4.73 117.46 112.22 2aby n PHE 31 Ca 0.05 0.00 0.03 0.00 -1.87 0.00 0.00 57.45 55.66 2aby n PHE 31 Cb 0.44 0.00 0.33 0.00 -1.61 0.00 0.00 39.48 38.64 2aby n PHE 31 CO 0.00 0.00 0.00 -1.00 -1.87 0.00 0.00 176.76 173.89 2aby h PRO 32 N 1.55 0.00 0.00 3.97 0.13 -1.93 -2.97 132.00 132.75 2aby h PRO 32 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2aby h PRO 32 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2aby h PRO 32 CO 0.00 0.42 -1.30 -0.40 -0.23 0.00 0.00 178.00 176.49 2aby n ASP 33 N -3.83 0.52 -1.89 1.44 5.75 -1.26 -4.95 116.55 112.31 2aby n ASP 33 Ca -0.01 -0.21 -0.14 0.00 -0.01 0.00 0.00 54.79 54.41 2aby n ASP 33 Cb 0.48 1.14 -0.04 0.00 -1.03 0.00 0.00 41.12 41.67 2aby n ASP 33 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2aby n LEU 34 N -2.05 -1.18 -1.25 -2.12 4.77 -1.13 -4.66 117.00 109.38 2aby n LEU 34 Ca 0.00 0.26 -0.05 0.00 -0.03 0.00 0.00 56.01 56.19 2aby n LEU 34 Cb 0.47 -2.23 -0.03 0.00 -2.33 0.00 0.00 43.42 39.31 2aby n LEU 34 CO 0.42 -0.47 0.36 0.47 -1.33 0.00 0.00 177.39 176.85 2aby n ASP 35 N -1.21 -0.95 -4.70 -1.43 8.00 -1.26 -5.12 116.55 109.88 2aby n ASP 35 Ca -0.16 -1.80 -0.42 0.00 0.71 0.00 0.00 54.79 53.12 2aby n ASP 35 Cb 0.55 0.33 -0.03 0.00 -0.02 0.00 0.00 41.12 41.95 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 0.02 3.90 -0.44 0.53 -1.16 -1.26 -3.51 121.20 119.28 2aby s ILE 36 Ca 0.02 1.31 0.03 0.00 -0.51 0.00 0.00 60.65 61.49 2aby s ILE 36 Cb 0.08 -3.84 0.12 0.00 0.61 0.00 0.00 42.46 39.43 2aby s ILE 36 CO -0.02 0.03 0.19 -0.54 -2.81 0.00 0.00 174.94 171.79 2aby s LYS 37 N 1.88 1.61 0.44 3.50 3.01 -0.49 -5.04 119.74 124.65 2aby s LYS 37 Ca 0.60 -2.19 0.04 0.00 -1.01 0.00 0.00 55.97 53.41 2aby s LYS 37 Cb -0.30 -2.99 -0.05 0.00 -1.01 0.00 0.00 37.83 33.49 2aby s LYS 37 CO 0.26 -1.07 0.02 1.52 0.51 0.00 0.00 175.35 176.59 2aby s TYR 38 N 0.28 2.15 -0.25 3.18 1.13 -1.26 -0.09 117.35 122.49 2aby s TYR 38 Ca 0.15 -0.86 -0.26 0.00 -1.41 0.00 0.00 57.07 54.69 2aby s TYR 38 Cb -0.23 -1.62 0.11 0.00 -1.10 0.00 0.00 41.96 39.12 2aby s TYR 38 CO -0.04 0.26 0.96 -0.80 -2.51 0.00 0.00 175.55 173.43 2aby s ASN 39 N -3.75 -0.50 -0.20 -0.18 0.01 0.59 -4.96 114.94 105.95 2aby s ASN 39 Ca 0.22 0.89 -0.01 0.00 -0.71 0.00 0.00 52.86 53.25 2aby s ASN 39 Cb 0.06 0.88 0.01 0.00 0.41 0.00 0.00 41.25 42.60 2aby s ASN 39 CO 0.11 -0.22 -0.13 -0.63 -1.51 0.00 0.00 177.10 174.73 2aby s ILE 40 N -0.01 2.64 0.06 0.60 1.01 -1.26 -0.45 121.20 123.80 2aby s ILE 40 Ca 0.01 -0.78 0.06 0.00 0.00 0.00 0.00 60.65 59.94 2aby s ILE 40 Cb -0.04 -2.18 -0.03 0.00 0.01 0.00 0.00 42.46 40.22 2aby s ILE 40 CO -0.03 0.46 -0.15 0.72 0.00 0.00 0.00 174.94 175.94 2aby s PHE 41 N 1.37 1.31 -0.14 3.97 -0.12 -0.52 -1.92 117.98 121.93 2aby s PHE 41 Ca 0.05 -0.42 -0.05 0.00 -0.05 0.00 0.00 56.93 56.46 2aby s PHE 41 Cb -0.14 -0.75 -0.03 0.00 -0.63 0.00 0.00 43.02 41.47 2aby s PHE 41 CO -0.08 0.07 0.01 -1.17 -0.05 0.00 0.00 175.22 174.00 2aby s LEU 42 N -1.56 3.55 -0.09 -1.99 2.96 0.18 -1.59 118.68 120.15 2aby s LEU 42 Ca 0.00 0.03 0.00 0.00 -0.22 0.00 0.00 54.13 53.94 2aby s LEU 42 Cb -0.09 -1.86 -0.03 0.00 0.50 0.00 0.00 46.19 44.71 2aby s LEU 42 CO 0.02 0.23 -0.07 0.68 -1.32 0.00 0.00 176.35 175.89 2aby s VAL 43 N 0.00 3.66 -0.25 1.68 -7.23 0.25 -0.07 120.40 118.44 2aby s VAL 43 Ca 0.03 -0.48 -0.02 0.00 -1.81 0.00 0.00 61.98 59.70 2aby s VAL 43 Cb -0.13 -2.51 0.08 0.00 0.56 0.00 0.00 36.38 34.38 2aby s VAL 43 CO 0.02 0.58 0.07 1.51 -0.31 0.00 0.00 175.10 176.97 2aby s ASP 44 N -0.53 3.41 0.07 4.85 1.47 -1.26 0.06 116.67 124.74 2aby s ASP 44 Ca 0.08 -1.19 -0.15 0.00 1.18 0.00 0.00 52.55 52.47 2aby s ASP 44 Cb -0.12 -0.64 0.03 0.00 -0.34 0.00 0.00 42.92 41.84 2aby s ASP 44 CO 0.02 -0.37 0.34 -0.22 0.68 0.00 0.00 175.17 175.62 2aby s LEU 45 N 1.82 0.71 -1.73 2.11 1.98 -0.39 -4.88 118.68 118.29 2aby s LEU 45 Ca 0.05 -0.23 0.00 0.00 -2.89 0.00 0.00 54.13 51.06 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 -0.19 -0.70 0.00 -1.22 -1.89 0.00 0.00 176.35 172.35 2aby n TYR 46 N 0.30 -0.11 0.00 5.38 4.01 -1.26 -1.49 117.16 123.99 2aby n TYR 46 Ca -0.18 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.56 2aby n TYR 46 Cb 0.61 -2.96 0.00 0.00 -0.31 0.00 0.00 39.34 36.68 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 -0.93 2.51 3.48 2.72 0.00 -1.26 -5.00 105.19 106.71 2aby n GLY 47 Ca -0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.17 2.74 -0.11 1.61 -1.52 -0.55 -5.12 119.66 116.54 2aby s GLN 48 Ca 0.00 -0.66 0.01 0.00 -1.95 0.00 0.00 55.36 52.76 2aby s GLN 48 Cb 0.00 -2.48 -0.01 0.00 -0.22 0.00 0.00 33.01 30.30 2aby s GLN 48 CO 0.00 0.55 -0.16 -1.59 -0.25 0.00 0.00 175.29 173.84 2aby s LYS 49 N -0.52 3.19 0.14 2.91 0.00 -1.26 -1.26 119.74 122.94 2aby s LYS 49 Ca 0.07 -0.73 0.06 0.00 0.00 0.00 0.00 55.97 55.37 2aby s LYS 49 Cb -0.12 -2.52 -0.04 0.00 0.00 0.00 0.00 37.83 35.15 2aby s LYS 49 CO 0.02 0.26 -0.13 0.71 0.00 0.00 0.00 175.35 176.21 2aby s TYR 50 N 0.20 1.42 -0.18 1.78 1.51 0.11 -4.94 117.35 117.25 2aby s TYR 50 Ca -0.10 -0.62 -0.07 0.00 -1.01 0.00 0.00 57.07 55.28 2aby s TYR 50 Cb -0.16 -0.72 -0.04 0.00 -0.11 0.00 0.00 41.96 40.94 2aby s TYR 50 CO 0.06 0.17 0.07 -0.06 -1.11 0.00 0.00 175.55 174.67 2aby s PHE 51 N -2.64 3.27 0.03 2.71 0.40 -0.32 -0.59 117.98 120.84 2aby s PHE 51 Ca 0.14 0.12 0.05 0.00 -0.60 0.00 0.00 56.93 56.63 2aby s PHE 51 Cb -0.02 -2.06 -0.02 0.00 0.51 0.00 0.00 43.02 41.43 2aby s PHE 51 CO 0.03 0.21 -0.14 1.03 0.70 0.00 0.00 175.22 177.05 2aby s ARG 52 N 0.23 0.96 -0.04 0.44 3.00 -0.62 -0.03 118.95 122.89 2aby s ARG 52 Ca 0.04 -0.68 0.04 0.00 0.00 0.00 0.00 55.73 55.13 2aby s ARG 52 Cb -0.12 -0.96 -0.00 0.00 0.00 0.00 0.00 34.95 33.87 2aby s ARG 52 CO 0.00 0.24 -0.15 0.96 0.00 0.00 0.00 175.30 176.35 2aby s ILE 53 N -0.72 1.27 -0.22 1.52 -5.25 0.88 -1.44 121.20 117.25 2aby s ILE 53 Ca 0.02 -0.64 -0.01 0.00 -0.99 0.00 0.00 60.65 59.04 2aby s ILE 53 Cb -0.07 -1.09 0.02 0.00 2.95 0.00 0.00 42.46 44.26 2aby s ILE 53 CO 0.01 0.37 -0.11 -0.22 -1.79 0.00 0.00 174.94 173.20 2aby s LEU 54 N 0.02 2.75 -0.16 0.37 0.20 0.41 -1.67 118.68 120.59 2aby s LEU 54 Ca -0.02 -0.69 0.02 0.00 0.69 0.00 0.00 54.13 54.12 2aby s LEU 54 Cb -0.10 -1.61 0.02 0.00 -0.43 0.00 0.00 46.19 44.06 2aby s LEU 54 CO 0.01 -0.06 -0.21 0.12 -0.29 0.00 0.00 176.35 175.93 2aby s PHE 55 N 1.34 2.72 0.06 5.38 5.36 -0.39 -0.30 117.98 132.16 2aby s PHE 55 Ca 0.03 -1.52 0.03 0.00 -0.96 0.00 0.00 56.93 54.51 2aby s PHE 55 Cb -0.15 -1.87 -0.03 0.00 -0.34 0.00 0.00 43.02 40.63 2aby s PHE 55 CO -0.07 -0.73 -0.09 1.14 -1.46 0.00 0.00 175.22 174.01 2aby s GLN 56 N 1.11 0.67 0.80 10.12 -2.07 0.87 -0.17 119.66 130.99 2aby s GLN 56 Ca 0.00 -0.93 -0.06 0.00 -1.82 0.00 0.00 55.36 52.55 2aby s GLN 56 Cb -0.14 -0.43 0.17 0.00 -1.09 0.00 0.00 33.01 31.52 2aby s GLN 56 CO -0.09 0.07 1.09 0.43 -1.32 0.00 0.00 175.29 175.48 2aby n SER 57 N 1.10 0.86 0.05 12.60 7.64 -1.21 -1.40 113.62 133.25 2aby n SER 57 Ca -0.20 -1.87 -0.12 0.00 1.01 0.00 0.00 58.87 57.69 2aby n SER 57 Cb 0.56 -0.76 -0.09 0.00 -1.01 0.00 0.00 64.21 62.91 2aby n SER 57 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 2aby h LYS 58 N 0.00 -0.16 0.02 1.43 3.11 -1.92 -3.31 116.57 115.74 2aby h LYS 58 Ca -0.36 0.01 -0.22 0.00 -2.81 0.00 0.00 60.65 57.27 2aby h LYS 58 Cb 1.17 0.04 -0.03 0.00 -1.00 0.00 0.00 32.23 32.42 2aby h LYS 58 CO 0.33 0.28 -1.07 0.87 -2.81 0.00 0.00 179.45 177.05 2aby h LYS 59 N -0.68 0.04 -6.32 1.90 1.57 -1.92 -3.47 116.57 107.69 2aby h LYS 59 Ca -0.02 -0.08 -0.36 0.00 -1.87 0.00 0.00 60.65 58.32 2aby h LYS 59 Cb 0.51 0.03 -0.11 0.00 0.08 0.00 0.00 32.23 32.74 2aby h LYS 59 CO 0.03 1.02 -0.57 1.47 -0.57 0.00 0.00 179.45 180.82 2aby n LEU 60 N -3.37 -0.51 -4.91 2.94 -0.00 -1.23 -4.87 117.00 105.05 2aby n LEU 60 Ca -0.02 -0.75 -0.31 0.00 -0.00 0.00 0.00 56.01 54.93 2aby n LEU 60 Cb 0.96 -0.93 -0.04 0.00 -0.00 0.00 0.00 43.42 43.40 2aby n LEU 60 CO 0.48 0.30 -0.03 -0.55 -0.00 0.00 0.00 177.39 177.58 2aby s SER 61 N -3.85 6.44 0.50 1.45 0.15 -1.11 -4.89 113.70 112.40 2aby s SER 61 Ca 0.03 0.46 0.29 0.00 0.70 0.00 0.00 55.95 57.43 2aby s SER 61 Cb -0.02 -2.04 1.16 0.00 -1.71 0.00 0.00 66.02 63.42 2aby s SER 61 CO 0.59 0.09 1.92 -0.33 1.20 0.00 0.00 173.24 176.70 2aby h GLU 62 N 2.86 0.00 -6.55 5.44 5.08 -1.89 -3.44 114.58 116.07 2aby h GLU 62 Ca -0.46 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 57.60 2aby h GLU 62 Cb 1.16 0.00 0.18 0.00 0.50 0.00 0.00 28.75 30.59 2aby h GLU 62 CO 0.74 0.11 -0.20 1.28 -1.00 0.00 0.00 179.01 179.93 2aby n LEU 63 N -3.26 -0.83 -2.61 1.33 4.32 -1.26 -4.59 117.00 110.10 2aby n LEU 63 Ca 0.00 -0.63 -0.04 0.00 -0.02 0.00 0.00 56.01 55.32 2aby n LEU 63 Cb 0.36 -0.92 0.00 0.00 -1.62 0.00 0.00 43.42 41.25 2aby n LEU 63 CO 0.30 -3.98 0.12 1.41 -1.22 0.00 0.00 177.39 174.03 2aby n HIS 64 N -5.19 -2.57 0.02 -1.77 8.25 -1.26 -4.87 115.22 107.83 2aby n HIS 64 Ca 0.10 1.02 -0.06 0.00 -0.26 0.00 0.00 57.72 58.51 2aby n HIS 64 Cb 0.49 -3.53 0.12 0.00 1.12 0.00 0.00 29.99 28.19 2aby n HIS 64 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2aby h PRO 65 N 1.11 0.47 0.00 -0.41 0.13 -1.99 -2.90 132.00 128.42 2aby h PRO 65 Ca 0.00 -0.25 -0.10 0.00 -0.87 0.00 0.00 66.00 64.79 2aby h PRO 65 Cb 0.86 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.99 2aby h PRO 65 CO 0.18 0.82 -0.45 0.93 -0.23 0.00 0.00 178.00 179.25 2aby h GLU 66 N 0.38 0.00 -0.00 0.86 3.07 -1.98 -2.93 114.58 113.98 2aby h GLU 66 Ca 0.03 0.00 -0.16 0.00 -0.50 0.00 0.00 59.36 58.73 2aby h GLU 66 Cb 0.93 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.82 2aby h GLU 66 CO 0.08 0.45 -0.76 0.93 -1.40 0.00 0.00 179.01 178.31 2aby h GLU 67 N 0.00 0.05 -0.39 2.33 5.08 -1.80 -3.20 114.58 116.64 2aby h GLU 67 Ca -0.00 -0.05 0.08 0.00 -1.00 0.00 0.00 59.36 58.39 2aby h GLU 67 Cb 0.89 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 30.08 2aby h GLU 67 CO 0.06 0.78 -0.11 0.00 -1.00 0.00 0.00 179.01 178.74 2aby h ARG 68 N 0.03 -0.02 -0.12 2.33 3.08 -1.32 0.21 114.38 118.58 2aby h ARG 68 Ca -0.01 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.95 2aby h ARG 68 Cb 1.34 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.38 2aby h ARG 68 CO 0.10 -0.01 -0.30 1.57 -1.07 0.00 0.00 179.97 180.27 2aby h LYS 69 N -0.02 0.23 0.11 0.04 2.10 -1.67 -0.57 116.57 116.79 2aby h LYS 69 Ca 0.19 -0.08 -0.01 0.00 -2.00 0.00 0.00 60.65 58.75 2aby h LYS 69 Cb 0.30 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.62 2aby h LYS 69 CO -0.41 0.51 -0.05 -0.22 -2.00 0.00 0.00 179.45 177.27 2aby h LYS 70 N 0.20 -0.15 -0.33 0.07 1.63 -1.07 -1.50 116.57 115.43 2aby h LYS 70 Ca 0.03 0.01 -0.10 0.00 -0.85 0.00 0.00 60.65 59.74 2aby h LYS 70 Cb 0.63 0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 32.28 2aby h LYS 70 CO 0.05 0.18 -0.19 -0.39 -3.45 0.00 0.00 179.45 175.65 2aby h VAL 71 N -0.49 1.26 0.29 2.00 -1.51 -0.61 0.14 116.25 117.33 2aby h VAL 71 Ca -0.02 -1.22 -0.01 0.00 -1.23 0.00 0.00 66.70 64.22 2aby h VAL 71 Cb 0.40 1.22 0.00 0.00 -2.13 0.00 0.00 31.29 30.78 2aby h VAL 71 CO 0.03 0.40 -0.14 0.03 -1.23 0.00 0.00 177.57 176.66 2aby h ARG 72 N 0.55 -0.37 -0.13 5.19 2.47 -1.07 -0.84 114.38 120.18 2aby h ARG 72 Ca 0.09 0.03 -0.13 0.00 -1.26 0.00 0.00 59.98 58.70 2aby h ARG 72 Cb 0.64 0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 29.03 2aby h ARG 72 CO 0.05 -0.16 -0.50 1.05 0.56 0.00 0.00 179.97 180.96 2aby h GLU 73 N -0.52 0.35 0.34 0.04 4.11 -1.24 -0.19 114.58 117.47 2aby h GLU 73 Ca -0.04 -0.20 -0.02 0.00 0.07 0.00 0.00 59.36 59.17 2aby h GLU 73 Cb 0.38 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.65 2aby h GLU 73 CO 0.06 0.77 -0.16 -0.22 0.07 0.00 0.00 179.01 179.54 2aby h LYS 74 N 0.28 -0.43 -0.11 1.06 1.63 -0.62 0.25 116.57 118.62 2aby h LYS 74 Ca 0.01 0.03 -0.16 0.00 -0.85 0.00 0.00 60.65 59.68 2aby h LYS 74 Cb 0.98 0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 32.70 2aby h LYS 74 CO 0.08 -0.25 -0.60 0.27 -3.45 0.00 0.00 179.45 175.50 2aby h PHE 75 N -0.51 0.49 -0.05 1.91 -5.15 -1.17 -1.27 116.94 111.19 2aby h PHE 75 Ca -0.05 -0.19 -0.01 0.00 -0.20 0.00 0.00 57.97 57.53 2aby h PHE 75 Cb 0.38 -0.09 -0.00 0.00 0.22 0.00 0.00 35.95 36.46 2aby h PHE 75 CO -0.04 0.89 0.01 0.22 -2.00 0.00 0.00 178.31 177.39 2aby h ASP 76 N 0.29 0.08 -0.07 -0.68 3.58 -0.90 -0.28 116.42 118.44 2aby h ASP 76 Ca -0.01 -0.26 -0.02 0.00 0.42 0.00 0.00 57.03 57.17 2aby h ASP 76 Cb 1.13 -0.02 -0.00 0.00 1.72 0.00 0.00 39.33 42.16 2aby h ASP 76 CO 0.10 0.32 -0.02 -0.33 -2.88 0.00 0.00 179.24 176.43 2aby h GLU 77 N -0.16 0.14 -0.57 0.28 5.08 -0.52 -0.76 114.58 118.07 2aby h GLU 77 Ca 0.02 -0.06 0.05 0.00 -1.00 0.00 0.00 59.36 58.37 2aby h GLU 77 Cb 0.27 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 2aby h GLU 77 CO 0.00 0.49 0.38 -0.97 -1.00 0.00 0.00 179.01 177.91 2aby h ASN 78 N -0.22 0.51 0.14 1.42 -1.24 -1.26 0.43 115.58 115.36 2aby h ASN 78 Ca 0.02 -0.00 -0.25 0.00 0.71 0.00 0.00 56.30 56.78 2aby h ASN 78 Cb 0.44 -0.11 0.01 0.00 0.73 0.00 0.00 38.32 39.39 2aby h ASN 78 CO 0.01 0.34 -0.99 0.77 -1.29 0.00 0.00 177.43 176.27 2aby h SER 79 N 0.58 0.75 0.71 1.15 4.64 -0.93 -3.12 113.55 117.34 2aby h SER 79 Ca 0.24 -0.60 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 2aby h SER 79 Cb 0.21 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 2aby h SER 79 CO -0.07 1.40 -0.09 -2.11 -0.87 0.00 0.00 176.83 175.09 2aby n ARG 80 N -3.81 0.22 -1.41 4.77 -4.01 -0.30 -4.92 116.66 107.20 2aby n ARG 80 Ca -0.09 -0.04 -0.48 0.00 -1.04 0.00 0.00 57.85 56.20 2aby n ARG 80 Cb 0.86 -1.50 -0.03 0.00 -3.04 0.00 0.00 32.46 28.75 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 -1.35 0.05 -1.62 2.89 2.81 0.14 -4.80 117.12 115.24 2aby n MET 81 Ca 0.10 0.02 -0.40 0.00 -1.81 0.00 0.00 57.70 55.61 2aby n MET 81 Cb 0.30 -1.03 0.02 0.00 -0.71 0.00 0.00 33.22 31.80 2aby n MET 81 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 2aby n GLN 82 N 0.99 1.29 -0.16 0.03 6.02 -1.26 -4.70 117.38 119.58 2aby n GLN 82 Ca 0.18 0.47 0.08 0.00 -0.01 0.00 0.00 57.00 57.71 2aby n GLN 82 Cb 0.25 -2.12 0.38 0.00 1.02 0.00 0.00 30.24 29.78 2aby n GLN 82 CO 0.00 0.00 0.00 1.88 -1.01 0.00 0.00 177.06 177.93 2aby h TYR 83 N 1.29 0.70 0.10 1.08 0.05 -1.98 0.12 116.97 118.34 2aby h TYR 83 Ca -0.46 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.33 2aby h TYR 83 Cb 1.34 -0.23 -0.00 0.00 1.01 0.00 0.00 36.73 38.85 2aby h TYR 83 CO 0.42 0.36 -0.06 0.77 -1.05 0.00 0.00 178.16 178.60 2aby h SER 84 N 0.68 -0.16 0.27 3.88 0.02 -1.99 0.24 113.55 116.49 2aby h SER 84 Ca 0.31 0.01 -0.14 0.00 -0.84 0.00 0.00 61.79 61.13 2aby h SER 84 Cb 0.32 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 2aby h SER 84 CO -0.10 -0.11 -0.54 -0.08 -1.14 0.00 0.00 176.83 174.86 2aby h GLU 85 N -0.16 0.30 0.16 3.45 4.57 -1.78 -1.71 114.58 119.40 2aby h GLU 85 Ca -0.01 -0.18 -0.01 0.00 -1.18 0.00 0.00 59.36 57.98 2aby h GLU 85 Cb 0.14 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.75 2aby h GLU 85 CO 0.01 0.76 -0.08 1.25 -1.18 0.00 0.00 179.01 179.77 2aby h LEU 86 N 0.23 -0.18 -1.55 1.64 6.46 -0.49 0.07 115.31 121.49 2aby h LEU 86 Ca 0.00 -0.23 -0.05 0.00 -0.12 0.00 0.00 57.88 57.48 2aby h LEU 86 Cb 1.02 0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 40.99 2aby h LEU 86 CO 0.09 0.14 -0.22 0.24 -0.62 0.00 0.00 178.44 178.07 2aby h MET 87 N -0.53 0.00 0.04 1.25 2.86 -0.56 -2.52 114.93 115.46 2aby h MET 87 Ca -0.02 0.00 -0.24 0.00 -2.06 0.00 0.00 59.70 57.37 2aby h MET 87 Cb 0.41 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.07 2aby h MET 87 CO 0.04 0.22 -1.03 1.15 1.06 0.00 0.00 176.91 178.35 2aby h THR 88 N 0.00 1.40 0.00 2.22 2.02 -1.16 0.34 112.91 117.73 2aby h THR 88 Ca -0.00 -2.55 0.00 0.00 0.77 0.00 0.00 66.41 64.62 2aby h THR 88 Cb 0.51 2.54 0.00 0.00 -1.74 0.00 0.00 68.15 69.46 2aby h THR 88 CO 0.03 0.76 0.00 1.17 0.37 0.00 0.00 175.52 177.85 2aby n LYS 89 N -3.72 0.02 -0.05 6.66 3.00 -0.00 0.46 118.16 124.53 2aby n LYS 89 Ca -0.08 0.09 -0.06 0.00 -0.00 0.00 0.00 58.31 58.26 2aby n LYS 89 Cb 0.89 -1.52 -0.08 0.00 0.00 0.00 0.00 35.03 34.32 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 -0.03 5.64 9.36 -0.98 -3.72 117.16 125.88 2aby n TYR 90 Ca 0.06 0.00 -0.02 0.00 3.32 0.00 0.00 57.90 61.26 2aby n TYR 90 Cb 0.30 -0.51 -0.13 0.00 -0.63 0.00 0.00 39.34 38.37 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 -2.51 0.44 -0.12 2.98 -0.00 0.12 -3.86 115.22 112.27 2aby n HIS 91 Ca -0.18 0.15 -0.23 0.00 0.46 0.00 0.00 57.72 57.91 2aby n HIS 91 Cb 0.81 -0.94 -0.08 0.00 -0.12 0.00 0.00 29.99 29.66 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 -2.72 1.95 0.30 0.26 2.03 0.17 -4.37 116.55 114.17 2aby n ASP 92 Ca -0.17 0.35 0.20 0.00 0.52 0.00 0.00 54.79 55.68 2aby n ASP 92 Cb 0.90 -0.81 1.06 0.00 -0.72 0.00 0.00 41.12 41.55 2aby n ASP 92 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 2aby h LEU 93 N -1.00 0.00 -1.27 -2.67 7.12 -1.42 -0.52 115.31 115.54 2aby h LEU 93 Ca -0.48 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.53 2aby h LEU 93 Cb 1.41 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.54 2aby h LEU 93 CO -0.29 0.00 0.00 0.07 -0.13 0.00 0.00 178.44 178.09 2aby h LYS 94 N 0.00 0.00 -0.52 1.25 5.09 -1.73 -2.41 116.57 118.25 2aby h LYS 94 Ca 0.00 0.00 0.03 0.00 0.09 0.00 0.00 60.65 60.77 2aby h LYS 94 Cb 0.03 0.00 -0.03 0.00 0.10 0.00 0.00 32.23 32.34 2aby h LYS 94 CO 0.00 0.00 0.34 -0.22 -2.09 0.00 0.00 179.45 177.48 2aby h LYS 95 N 0.00 0.59 0.00 0.07 1.63 -1.34 -2.71 116.57 114.81 2aby h LYS 95 Ca 0.00 -0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 59.75 2aby h LYS 95 Cb 0.16 -0.13 -0.04 0.00 -0.60 0.00 0.00 32.23 31.62 2aby h LYS 95 CO 0.00 0.39 -0.35 1.04 -3.45 0.00 0.00 179.45 177.08 2aby n GLN 96 N -4.47 1.14 -4.13 1.90 6.02 -0.93 -5.06 117.38 111.85 2aby n GLN 96 Ca 0.06 -2.64 -0.11 0.00 -0.01 0.00 0.00 57.00 54.30 2aby n GLN 96 Cb 0.13 -1.29 -0.09 0.00 1.02 0.00 0.00 30.24 30.01 2aby n GLN 96 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 2aby s GLY 97 N -2.74 1.08 0.09 1.08 0.00 -1.02 -5.11 107.32 100.69 2aby s GLY 97 Ca 0.31 -1.43 0.06 0.00 0.00 0.00 0.00 44.72 43.66 2aby s GLY 97 CO -0.03 -1.22 -0.15 0.54 0.00 0.00 0.00 173.10 172.24 2aby s LYS 98 N -4.09 0.90 -0.05 2.90 3.01 -1.26 -4.71 119.74 116.45 2aby s LYS 98 Ca 0.30 -1.04 -0.07 0.00 -1.01 0.00 0.00 55.97 54.15 2aby s LYS 98 Cb 0.06 -0.91 0.01 0.00 -1.01 0.00 0.00 37.83 35.98 2aby s LYS 98 CO 0.07 0.20 0.18 -1.50 0.51 0.00 0.00 175.35 174.81 2aby s ILE 99 N -1.44 0.03 -0.02 2.17 2.07 -1.26 -4.32 121.20 118.43 2aby s ILE 99 Ca 0.01 -0.23 0.08 0.00 -1.41 0.00 0.00 60.65 59.10 2aby s ILE 99 Cb -0.09 -0.34 -0.02 0.00 0.13 0.00 0.00 42.46 42.14 2aby s ILE 99 CO 0.03 -0.12 -0.25 -0.54 -1.91 0.00 0.00 174.94 172.14 2aby s LYS 100 N -0.40 2.02 -0.83 3.50 1.02 -1.26 -5.09 119.74 118.71 2aby s LYS 100 Ca -0.05 -0.90 -0.08 0.00 0.02 0.00 0.00 55.97 54.96 2aby s LYS 100 Cb -0.03 -1.96 0.21 0.00 -0.52 0.00 0.00 37.83 35.52 2aby s LYS 100 CO 0.01 0.54 0.73 0.34 -0.92 0.00 0.00 175.35 176.05 2aby s ASP 101 N -0.61 6.28 0.60 2.83 -1.08 -1.26 -4.85 116.67 118.59 2aby s ASP 101 Ca 0.10 -3.07 -0.16 0.00 -0.52 0.00 0.00 52.55 48.89 2aby s ASP 101 Cb -0.10 -2.06 -0.03 0.00 -1.46 0.00 0.00 42.92 39.28 2aby s ASP 101 CO -0.01 -0.40 1.08 0.00 0.52 0.00 0.00 175.17 176.36 2aby s ARG 102 N -0.41 3.20 0.24 4.34 3.03 -1.26 -4.99 118.95 123.10 2aby s ARG 102 Ca 0.21 1.33 -0.30 0.00 2.03 0.00 0.00 55.73 59.00 2aby s ARG 102 Cb -0.12 -2.01 -0.09 0.00 -1.03 0.00 0.00 34.95 31.70 2aby s ARG 102 CO -0.08 -0.92 1.28 -1.25 -1.13 0.00 0.00 175.30 173.19 2aby s PRO 103 N -3.91 4.42 0.25 3.89 0.04 -1.26 -4.99 135.00 133.44 2aby s PRO 103 Ca 0.66 2.05 -0.30 0.00 0.04 0.00 0.00 61.00 63.45 2aby s PRO 103 Cb -0.18 -3.17 -0.09 0.00 0.04 0.00 0.00 34.50 31.10 2aby s PRO 103 CO 0.36 -0.17 1.25 0.54 0.04 0.00 0.00 177.00 179.02 2aby s VAL 104 N -0.34 3.17 0.12 -0.36 0.11 -1.26 -4.94 120.40 116.89 2aby s VAL 104 Ca 0.53 1.06 -0.22 0.00 -2.93 0.00 0.00 61.98 60.42 2aby s VAL 104 Cb -0.36 -3.67 -0.07 0.00 -1.53 0.00 0.00 36.38 30.74 2aby s VAL 104 CO 0.42 0.20 0.67 -0.54 -3.33 0.00 0.00 175.10 172.52 2aby s LYS 105 N -0.84 4.38 0.25 1.54 -0.14 -0.81 -4.78 119.74 119.34 2aby s LYS 105 Ca 0.52 0.94 -0.30 0.00 -1.36 0.00 0.00 55.97 55.77 2aby s LYS 105 Cb -0.36 -3.25 -0.09 0.00 -1.68 0.00 0.00 37.83 32.45 2aby s LYS 105 CO 0.43 0.60 1.08 -1.83 -0.76 0.00 0.00 175.35 174.87 2aby s GLU 106 N -1.10 4.65 -0.07 1.68 1.03 -1.26 0.48 118.70 124.11 2aby s GLU 106 Ca 0.32 1.75 -0.00 0.00 0.03 0.00 0.00 54.97 57.07 2aby s GLU 106 Cb -0.21 -3.22 -0.03 0.00 -0.80 0.00 0.00 34.13 29.86 2aby s GLU 106 CO 0.22 0.21 -0.03 0.08 -1.33 0.00 0.00 175.26 174.42 2aby s VAL 107 N -0.92 4.02 0.49 1.83 1.01 0.90 -4.84 120.40 122.90 2aby s VAL 107 Ca 0.45 -0.39 0.02 0.00 0.00 0.00 0.00 61.98 62.06 2aby s VAL 107 Cb -0.31 -2.68 -0.02 0.00 0.00 0.00 0.00 36.38 33.37 2aby s VAL 107 CO 0.38 0.57 0.01 -1.00 0.00 0.00 0.00 175.10 175.07 2aby s HIS 108 N -0.88 1.95 -0.18 5.22 3.76 -1.26 -4.14 115.29 119.75 2aby s HIS 108 Ca 0.14 -0.93 -0.29 0.00 -0.15 0.00 0.00 55.06 53.82 2aby s HIS 108 Cb -0.11 -1.61 -0.00 0.00 1.11 0.00 0.00 32.58 31.96 2aby s HIS 108 CO 0.03 0.24 1.10 -1.21 -0.85 0.00 0.00 174.74 174.05 2aby s GLU 109 N -3.85 4.28 0.00 1.40 2.02 -1.26 -4.92 118.70 116.37 2aby s GLU 109 Ca 0.10 1.46 0.00 0.00 0.02 0.00 0.00 54.97 56.55 2aby s GLU 109 Cb 0.03 -3.65 0.00 0.00 0.10 0.00 0.00 34.13 30.60 2aby s GLU 109 CO 0.05 -0.59 0.00 -1.91 0.02 0.00 0.00 175.26 172.83 2aby n GLU 110 N 6.14 -1.26 -3.77 1.61 2.13 -1.26 -5.09 120.64 119.13 2aby n GLU 110 Ca 0.12 0.00 -0.29 0.00 0.66 0.00 0.00 57.16 57.65 2aby n GLU 110 Cb 0.46 0.00 -0.12 0.00 0.27 0.00 0.00 31.44 32.05 2aby n GLU 110 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 2aby s TYR 111 N -3.00 2.62 0.04 4.31 2.02 -1.26 -4.87 117.35 117.21 2aby s TYR 111 Ca 0.00 -2.87 0.00 0.00 -0.37 0.00 0.00 57.07 53.83 2aby s TYR 111 Cb 0.00 -2.20 0.00 0.00 -0.40 0.00 0.00 41.96 39.36 2aby s TYR 111 CO 0.00 -0.70 0.00 -3.47 -1.57 0.00 0.00 175.55 169.81 2aby n ASP 112 N 2.82 0.23 -3.11 2.29 2.03 -1.26 -5.09 116.55 114.46 2aby n ASP 112 Ca 0.15 0.07 -0.12 0.00 0.52 0.00 0.00 54.79 55.41 2aby n ASP 112 Cb 0.36 -0.04 0.11 0.00 -0.72 0.00 0.00 41.12 40.83 2aby n ASP 112 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2aby n LEU 113 N -3.05 0.00 0.28 -2.67 4.77 -1.26 -4.83 117.00 110.24 2aby n LEU 113 Ca 0.00 -0.33 0.14 0.00 -0.03 0.00 0.00 56.01 55.79 2aby n LEU 113 Cb 0.27 -0.39 0.83 0.00 -2.33 0.00 0.00 43.42 41.80 2aby n LEU 113 CO 0.00 -2.01 1.05 -0.50 -1.33 0.00 0.00 177.39 174.61 2aby h TRP 114 N -2.58 0.00 -6.62 -1.77 -0.00 -2.00 -3.47 115.95 99.52 2aby h TRP 114 Ca -0.15 0.00 -0.45 0.00 -0.00 0.00 0.00 58.89 58.29 2aby h TRP 114 Cb 0.50 0.00 -0.00 0.00 -0.00 0.00 0.00 29.16 29.66 2aby h TRP 114 CO 0.00 0.06 -0.98 -0.85 -0.00 0.00 0.00 178.44 176.67 2aby n GLU 115 N -3.72 -1.27 0.00 0.49 0.28 -1.26 -4.60 120.64 110.56 2aby n GLU 115 Ca -0.02 0.59 0.00 0.00 -0.16 0.00 0.00 57.16 57.57 2aby n GLU 115 Cb 0.16 -1.96 0.00 0.00 1.43 0.00 0.00 31.44 31.07 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 -2.23 0.00 0.03 -1.84 2.03 -1.26 -4.93 116.55 108.34 2aby n ASP 116 Ca -0.27 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 54.91 2aby n ASP 116 Cb 0.61 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.91 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 -0.10 0.00 -0.67 0.13 -1.84 -3.14 132.00 126.38 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 0.34 0.00 -0.84 -0.23 0.00 0.00 178.00 177.27 2aby h ILE 118 N -0.60 0.00 -0.46 -3.56 -2.65 -1.79 -2.27 117.51 106.18 2aby h ILE 118 Ca -0.01 -0.51 -0.11 0.00 1.03 0.00 0.00 64.86 65.26 2aby h ILE 118 Cb 0.50 1.48 -0.01 0.00 -2.05 0.00 0.00 36.82 36.73 2aby h ILE 118 CO 0.02 0.00 -0.15 -0.25 0.03 0.00 0.00 178.15 177.80 2aby h TRP 119 N 0.00 1.03 0.00 0.16 2.91 -1.91 -3.40 115.95 114.74 2aby h TRP 119 Ca 0.00 -0.23 0.00 0.00 1.13 0.00 0.00 58.89 59.79 2aby h TRP 119 Cb 0.72 -0.25 0.00 0.00 -0.51 0.00 0.00 29.16 29.12 2aby h TRP 119 CO 0.00 1.02 -0.16 0.94 -1.03 0.00 0.00 178.44 179.21 2aby n GLN 120 N -4.21 0.09 -3.69 2.65 7.27 -1.19 -5.02 117.38 113.28 2aby n GLN 120 Ca -0.00 0.05 -0.10 0.00 0.07 0.00 0.00 57.00 57.02 2aby n GLN 120 Cb 0.41 -0.67 -0.10 0.00 2.41 0.00 0.00 30.24 32.29 2aby n GLN 120 CO 0.00 0.00 0.00 1.52 0.07 0.00 0.00 177.06 178.65 2aby s TYR 121 N -1.31 -0.66 0.00 3.69 1.13 -0.86 -5.12 117.35 114.23 2aby s TYR 121 Ca -0.05 1.40 0.00 0.00 -1.41 0.00 0.00 57.07 57.01 2aby s TYR 121 Cb 0.01 0.31 0.00 0.00 -1.10 0.00 0.00 41.96 41.17 2aby s TYR 121 CO 0.07 -0.36 0.00 -0.89 -2.51 0.00 0.00 175.55 171.86