#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aby s GLN 2 N 0.00 1.77 0.29 0.03 -2.07 -1.26 -5.18 119.66 113.24 2aby s GLN 2 Ca 0.00 -2.04 0.03 0.00 -1.82 0.00 0.00 55.36 51.53 2aby s GLN 2 Cb 0.00 -0.55 -0.01 0.00 -1.09 0.00 0.00 33.01 31.36 2aby s GLN 2 CO 0.00 -0.40 0.31 1.63 -1.32 0.00 0.00 175.29 175.51 2aby n LYS 3 N -0.77 0.44 -0.09 9.60 4.76 -1.26 -4.95 118.16 125.89 2aby n LYS 3 Ca -0.03 -2.63 0.00 0.00 -2.87 0.00 0.00 58.31 52.77 2aby n LYS 3 Cb 0.65 2.29 0.00 0.00 -1.84 0.00 0.00 35.03 36.14 2aby n LYS 3 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2aby n GLY 4 N -0.52 0.94 3.16 0.72 0.00 -1.26 -5.05 105.19 103.19 2aby n GLY 4 Ca 0.04 -0.10 -0.10 0.00 0.00 0.00 0.00 46.02 45.85 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 2.50 -0.18 0.99 2.01 -1.26 -3.69 118.68 119.05 2aby s LEU 5 Ca 0.00 -0.99 -0.08 0.00 0.01 0.00 0.00 54.13 53.07 2aby s LEU 5 Cb 0.00 -0.06 -0.04 0.00 0.01 0.00 0.00 46.19 46.09 2aby s LEU 5 CO 0.00 -0.46 0.10 -1.61 1.01 0.00 0.00 176.35 175.39 2aby s GLU 6 N -3.74 3.95 -0.01 1.70 8.01 -1.26 -3.97 118.70 123.38 2aby s GLU 6 Ca 0.11 -0.25 -0.04 0.00 0.01 0.00 0.00 54.97 54.80 2aby s GLU 6 Cb 0.05 -3.29 -0.00 0.00 -4.31 0.00 0.00 34.13 26.58 2aby s GLU 6 CO -0.05 0.39 0.07 0.96 0.01 0.00 0.00 175.26 176.64 2aby s ILE 7 N 0.08 0.06 0.06 -1.63 -0.00 0.30 -5.01 121.20 115.07 2aby s ILE 7 Ca 0.08 -0.49 0.09 0.00 -0.00 0.00 0.00 60.65 60.33 2aby s ILE 7 Cb -0.12 -0.27 -0.03 0.00 -0.00 0.00 0.00 42.46 42.04 2aby s ILE 7 CO -0.00 -0.27 -0.23 0.00 -0.00 0.00 0.00 174.94 174.44 2aby s ALA 8 N -0.86 2.42 -0.02 2.27 0.00 -1.26 -1.46 121.76 122.85 2aby s ALA 8 Ca -0.09 -1.29 0.03 0.00 0.00 0.00 0.00 51.96 50.61 2aby s ALA 8 Cb -0.06 -0.56 -0.00 0.00 0.00 0.00 0.00 23.12 22.50 2aby s ALA 8 CO 0.00 0.55 -0.10 0.12 0.00 0.00 0.00 175.76 176.34 2aby s PHE 9 N -0.91 0.93 -0.05 0.00 5.36 -0.72 -4.71 117.98 117.88 2aby s PHE 9 Ca 0.13 -0.20 0.00 0.00 -0.96 0.00 0.00 56.93 55.91 2aby s PHE 9 Cb -0.10 -0.63 -0.03 0.00 -0.34 0.00 0.00 43.02 41.91 2aby s PHE 9 CO 0.04 -0.05 -0.03 -0.65 -1.46 0.00 0.00 175.22 173.07 2aby s GLN 10 N -0.05 2.81 0.02 10.12 -0.21 -1.26 -0.24 119.66 130.85 2aby s GLN 10 Ca 0.01 -0.54 -0.16 0.00 0.02 0.00 0.00 55.36 54.68 2aby s GLN 10 Cb -0.06 -2.67 0.03 0.00 1.00 0.00 0.00 33.01 31.31 2aby s GLN 10 CO 0.00 0.66 0.35 -0.08 -2.12 0.00 0.00 175.29 174.10 2aby s THR 11 N -0.93 0.06 0.00 -0.19 -1.32 0.11 -4.89 115.64 108.48 2aby s THR 11 Ca 0.15 -0.52 0.00 0.00 -1.21 0.00 0.00 61.69 60.12 2aby s THR 11 Cb -0.11 -0.83 0.00 0.00 -1.51 0.00 0.00 72.50 70.04 2aby s THR 11 CO 0.05 -0.28 0.00 2.30 -2.21 0.00 0.00 174.62 174.47 2aby n ILE 12 N 0.82 0.00 -3.63 5.08 -6.64 -1.26 -0.66 119.36 113.06 2aby n ILE 12 Ca -0.20 0.00 -0.04 0.00 -1.77 0.00 0.00 62.75 60.74 2aby n ILE 12 Cb 0.58 0.00 -0.06 0.00 -1.44 0.00 0.00 39.64 38.73 2aby n ILE 12 CO 0.00 0.00 0.00 0.21 -1.77 0.00 0.00 176.55 174.99 2aby s ASN 13 N -1.19 -0.14 0.00 7.28 3.84 -1.26 -4.95 114.94 118.53 2aby s ASN 13 Ca 0.00 0.21 0.00 0.00 0.21 0.00 0.00 52.86 53.28 2aby s ASN 13 Cb 0.00 0.19 0.00 0.00 -0.55 0.00 0.00 41.25 40.89 2aby s ASN 13 CO 0.00 -0.09 0.00 0.61 -2.79 0.00 0.00 177.10 174.83 2aby n GLY 14 N 1.11 0.75 2.38 1.21 0.00 -1.26 -4.69 105.19 104.69 2aby n GLY 14 Ca -0.07 -0.30 -0.13 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.18 0.04 0.99 7.99 -1.26 -4.83 117.00 118.74 2aby n LEU 15 Ca 0.00 0.20 -0.20 0.00 -0.01 0.00 0.00 56.01 56.00 2aby n LEU 15 Cb 0.00 -2.18 -0.11 0.00 -0.11 0.00 0.00 43.42 41.01 2aby n LEU 15 CO 0.00 -0.20 0.11 0.44 -1.51 0.00 0.00 177.39 176.22 2aby h ASP 16 N 0.00 0.74 -0.88 -1.43 5.19 -1.97 -3.23 116.42 114.85 2aby h ASP 16 Ca -0.30 -0.78 0.24 0.00 -0.62 0.00 0.00 57.03 55.57 2aby h ASP 16 Cb 1.18 -0.23 -0.05 0.00 0.18 0.00 0.00 39.33 40.42 2aby h ASP 16 CO 0.37 1.43 0.61 -0.33 -3.12 0.00 0.00 179.24 178.20 2aby h GLU 17 N 0.14 0.12 -0.20 3.56 5.08 -1.97 0.10 114.58 121.41 2aby h GLU 17 Ca -0.12 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.21 2aby h GLU 17 Cb 1.60 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.82 2aby h GLU 17 CO 0.18 0.08 0.06 0.77 -1.00 0.00 0.00 179.01 179.09 2aby h SER 18 N 0.12 0.31 -0.54 1.42 0.02 -1.95 0.67 113.55 113.60 2aby h SER 18 Ca 0.43 -0.22 -0.08 0.00 -0.84 0.00 0.00 61.79 61.09 2aby h SER 18 Cb 1.51 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.95 2aby h SER 18 CO -0.06 0.44 0.04 0.25 -1.14 0.00 0.00 176.83 176.36 2aby h LEU 19 N 0.15 0.90 -0.05 5.07 5.85 -1.13 0.17 115.31 126.27 2aby h LEU 19 Ca 0.07 -0.29 -0.00 0.00 0.84 0.00 0.00 57.88 58.50 2aby h LEU 19 Cb 0.25 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.04 2aby h LEU 19 CO -0.00 0.96 0.01 0.58 -0.34 0.00 0.00 178.44 179.65 2aby h VAL 20 N 0.81 1.19 0.00 1.05 2.07 -1.20 0.16 116.25 120.33 2aby h VAL 20 Ca 0.16 -0.56 -0.08 0.00 0.82 0.00 0.00 66.70 67.04 2aby h VAL 20 Cb 0.47 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 2aby h VAL 20 CO 0.02 0.15 -0.38 0.06 0.02 0.00 0.00 177.57 177.45 2aby h GLN 21 N -0.13 0.00 0.07 1.57 3.07 -0.82 -1.51 115.11 117.36 2aby h GLN 21 Ca 0.02 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.75 2aby h GLN 21 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.80 2aby h GLN 21 CO 0.00 0.38 -0.03 0.00 0.09 0.00 0.00 178.83 179.26 2aby h ALA 22 N 1.62 -0.10 -0.56 0.06 0.00 -0.44 -2.31 119.26 117.53 2aby h ALA 22 Ca -0.00 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 2aby h ALA 22 Cb 0.74 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 2aby h ALA 22 CO 0.05 -0.18 0.26 1.37 0.00 0.00 0.00 179.25 180.75 2aby h LEU 23 N -0.85 0.71 -0.56 0.00 8.10 -0.68 -1.40 115.31 120.64 2aby h LEU 23 Ca -0.01 -0.07 -0.13 0.00 0.11 0.00 0.00 57.88 57.78 2aby h LEU 23 Cb 0.61 -0.18 -0.01 0.00 -0.44 0.00 0.00 40.66 40.64 2aby h LEU 23 CO 0.02 0.61 -0.24 0.00 -4.11 0.00 0.00 178.44 174.72 2aby h ALA 24 N 1.50 0.75 -0.25 0.17 0.00 -1.35 -1.65 119.26 118.42 2aby h ALA 24 Ca 0.20 -0.39 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 2aby h ALA 24 Cb 0.09 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2aby h ALA 24 CO -0.03 0.66 -0.15 0.78 0.00 0.00 0.00 179.25 180.52 2aby h GLY 25 N 0.91 0.58 1.03 0.00 0.00 -0.91 -1.77 103.07 102.91 2aby h GLY 25 Ca 0.10 -0.54 -0.07 0.00 0.00 0.00 0.00 47.33 46.81 2aby h GLY 25 CO 0.07 0.49 0.07 -0.24 0.00 0.00 0.00 176.54 176.93 2aby h VAL 26 N 0.26 1.26 -0.16 4.60 3.04 -1.27 0.35 116.25 124.33 2aby h VAL 26 Ca 0.05 -1.01 -0.01 0.00 -1.01 0.00 0.00 66.70 64.72 2aby h VAL 26 Cb 0.66 0.80 -0.01 0.00 -2.01 0.00 0.00 31.29 30.74 2aby h VAL 26 CO 0.04 0.37 0.05 0.71 -1.01 0.00 0.00 177.57 177.73 2aby h THR 27 N 0.85 1.18 -0.16 3.17 1.35 -1.30 -1.48 112.91 116.53 2aby h THR 27 Ca 0.17 -0.56 -0.07 0.00 -0.55 0.00 0.00 66.41 65.40 2aby h THR 27 Cb 0.44 1.26 -0.00 0.00 -1.73 0.00 0.00 68.15 68.13 2aby h THR 27 CO 0.01 0.17 -0.17 0.00 -0.25 0.00 0.00 175.52 175.28 2aby h ALA 28 N 0.87 0.23 -0.29 6.62 0.00 -1.26 -0.27 119.26 125.16 2aby h ALA 28 Ca 0.05 -0.34 0.06 0.00 0.00 0.00 0.00 54.91 54.68 2aby h ALA 28 Cb 0.22 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.91 2aby h ALA 28 CO -0.00 0.14 -0.08 0.77 0.00 0.00 0.00 179.25 180.08 2aby h SER 29 N 0.03 -0.29 -0.15 0.00 0.02 -0.29 -2.68 113.55 110.19 2aby h SER 29 Ca 0.02 0.09 -0.05 0.00 -0.84 0.00 0.00 61.79 61.01 2aby h SER 29 Cb 0.72 0.19 -0.00 0.00 0.14 0.00 0.00 62.40 63.44 2aby h SER 29 CO 0.04 -0.11 -0.11 0.44 -1.14 0.00 0.00 176.83 175.96 2aby h ASP 30 N -0.01 0.36 -6.89 3.07 3.32 -1.30 -3.40 116.42 111.56 2aby h ASP 30 Ca 0.14 -0.44 -0.58 0.00 0.02 0.00 0.00 57.03 56.16 2aby h ASP 30 Cb 0.23 -0.10 -0.08 0.00 0.22 0.00 0.00 39.33 39.60 2aby h ASP 30 CO -0.31 0.73 -0.98 0.33 -1.72 0.00 0.00 179.24 177.29 2aby n PHE 31 N -4.60 -1.41 0.05 4.55 7.35 -0.11 -4.84 117.46 118.45 2aby n PHE 31 Ca -0.06 0.35 -0.05 0.00 -0.76 0.00 0.00 57.45 56.94 2aby n PHE 31 Cb 0.33 -2.94 0.15 0.00 0.35 0.00 0.00 39.48 37.37 2aby n PHE 31 CO 0.00 0.00 0.00 -1.00 -0.76 0.00 0.00 176.76 175.00 2aby h PRO 32 N -2.21 0.38 0.00 -7.13 0.13 -1.90 -3.27 132.00 118.00 2aby h PRO 32 Ca -0.68 -0.20 -0.36 0.00 -0.87 0.00 0.00 66.00 63.88 2aby h PRO 32 Cb 1.40 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 32.47 2aby h PRO 32 CO 0.59 0.76 -2.27 -0.40 -0.23 0.00 0.00 178.00 176.45 2aby n ASP 33 N -4.00 0.47 -0.35 1.44 5.75 -1.26 -4.97 116.55 113.63 2aby n ASP 33 Ca -0.02 0.06 -0.05 0.00 -0.01 0.00 0.00 54.79 54.78 2aby n ASP 33 Cb 0.52 0.58 -0.02 0.00 -1.03 0.00 0.00 41.12 41.17 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 -2.89 0.11 -0.51 -2.12 4.32 -1.24 -4.79 117.00 109.88 2aby n LEU 34 Ca -0.32 0.11 0.05 0.00 -0.02 0.00 0.00 56.01 55.84 2aby n LEU 34 Cb 1.12 -1.91 0.09 0.00 -1.62 0.00 0.00 43.42 41.09 2aby n LEU 34 CO 0.41 -0.69 0.35 0.47 -1.22 0.00 0.00 177.39 176.72 2aby n ASP 35 N -0.53 1.26 -4.66 -1.43 8.00 -1.26 -5.05 116.55 112.88 2aby n ASP 35 Ca -0.05 -2.69 -0.43 0.00 0.71 0.00 0.00 54.79 52.33 2aby n ASP 35 Cb 0.37 -0.35 -0.02 0.00 -0.02 0.00 0.00 41.12 41.10 2aby n ASP 35 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 2aby s ILE 36 N -1.55 4.04 -0.84 0.53 2.07 -1.26 -3.99 121.20 120.20 2aby s ILE 36 Ca 0.23 1.26 0.01 0.00 -1.41 0.00 0.00 60.65 60.73 2aby s ILE 36 Cb 0.22 -3.82 0.25 0.00 0.13 0.00 0.00 42.46 39.24 2aby s ILE 36 CO -0.03 -0.12 0.95 0.29 -1.91 0.00 0.00 174.94 174.13 2aby n LYS 37 N 6.80 3.07 -4.35 3.50 4.76 -0.16 -5.03 118.16 126.76 2aby n LYS 37 Ca 0.15 -4.58 -0.26 0.00 -2.87 0.00 0.00 58.31 50.76 2aby n LYS 37 Cb 0.44 -2.38 -0.12 0.00 -1.84 0.00 0.00 35.03 31.13 2aby n LYS 37 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 2aby s TYR 38 N -2.19 2.04 0.27 2.13 6.14 -1.26 -1.37 117.35 123.11 2aby s TYR 38 Ca 0.33 -0.40 -0.21 0.00 0.64 0.00 0.00 57.07 57.43 2aby s TYR 38 Cb 0.05 -1.08 0.04 0.00 0.42 0.00 0.00 41.96 41.38 2aby s TYR 38 CO -0.02 0.31 0.80 1.21 0.64 0.00 0.00 175.55 178.49 2aby s ASN 39 N -2.18 -0.18 -0.07 4.32 3.84 -0.53 -4.99 114.94 115.15 2aby s ASN 39 Ca 0.12 -0.67 0.03 0.00 0.21 0.00 0.00 52.86 52.56 2aby s ASN 39 Cb -0.09 0.69 0.01 0.00 -0.55 0.00 0.00 41.25 41.30 2aby s ASN 39 CO 0.06 -1.30 -0.17 0.27 -2.79 0.00 0.00 177.10 173.18 2aby s ILE 40 N -3.39 1.45 0.04 -5.21 -0.00 -1.26 -1.50 121.20 111.33 2aby s ILE 40 Ca 0.13 -0.68 0.04 0.00 -0.00 0.00 0.00 60.65 60.14 2aby s ILE 40 Cb -0.05 -1.28 -0.02 0.00 -0.00 0.00 0.00 42.46 41.11 2aby s ILE 40 CO 0.07 0.42 -0.13 0.72 -0.00 0.00 0.00 174.94 176.02 2aby s PHE 41 N 0.42 1.09 -0.24 1.37 -0.12 -0.71 -1.67 117.98 118.12 2aby s PHE 41 Ca -0.13 -0.38 -0.07 0.00 -0.05 0.00 0.00 56.93 56.30 2aby s PHE 41 Cb -0.15 -0.64 -0.03 0.00 -0.63 0.00 0.00 43.02 41.56 2aby s PHE 41 CO 0.05 0.02 0.07 -1.17 -0.05 0.00 0.00 175.22 174.14 2aby s LEU 42 N -1.25 3.52 -0.11 -1.99 1.98 0.16 -1.86 118.68 119.13 2aby s LEU 42 Ca -0.01 -0.15 -0.05 0.00 -2.89 0.00 0.00 54.13 51.02 2aby s LEU 42 Cb -0.08 -1.94 -0.04 0.00 0.66 0.00 0.00 46.19 44.79 2aby s LEU 42 CO 0.01 -0.00 0.09 0.68 -1.89 0.00 0.00 176.35 175.24 2aby s VAL 43 N 1.41 5.09 -0.25 1.68 -7.23 0.18 -1.24 120.40 120.04 2aby s VAL 43 Ca 0.05 0.05 -0.02 0.00 -1.81 0.00 0.00 61.98 60.26 2aby s VAL 43 Cb -0.15 -3.20 0.08 0.00 0.56 0.00 0.00 36.38 33.67 2aby s VAL 43 CO 0.04 0.61 0.07 1.51 -0.31 0.00 0.00 175.10 177.01 2aby s ASP 44 N -0.90 3.48 0.07 4.85 -4.77 -1.26 0.00 116.67 118.14 2aby s ASP 44 Ca 0.14 -1.23 -0.16 0.00 -3.30 0.00 0.00 52.55 48.01 2aby s ASP 44 Cb -0.12 -0.69 0.03 0.00 -1.09 0.00 0.00 42.92 41.05 2aby s ASP 44 CO 0.03 -0.37 0.36 -0.22 0.70 0.00 0.00 175.17 175.68 2aby s LEU 45 N 1.77 0.61 -1.37 2.11 1.98 0.92 -4.91 118.68 119.79 2aby s LEU 45 Ca 0.04 -0.20 -0.05 0.00 -2.89 0.00 0.00 54.13 51.04 2aby s LEU 45 Cb -0.17 1.61 0.01 0.00 0.66 0.00 0.00 46.19 48.29 2aby s LEU 45 CO -0.19 -0.71 0.63 -1.22 -1.89 0.00 0.00 176.35 172.97 2aby n TYR 46 N 0.26 -1.90 -0.99 5.38 4.01 -1.26 -1.42 117.16 121.24 2aby n TYR 46 Ca -0.17 0.54 0.00 0.00 -0.16 0.00 0.00 57.90 58.11 2aby n TYR 46 Cb 0.61 -4.23 0.00 0.00 -0.31 0.00 0.00 39.34 35.41 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 -1.52 0.14 3.10 2.72 0.00 -1.26 -4.96 105.19 103.43 2aby n GLY 47 Ca -0.08 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.42 0.77 -0.08 1.61 -1.52 -0.51 -5.15 119.66 113.37 2aby s GLN 48 Ca 0.00 -0.70 0.04 0.00 -1.95 0.00 0.00 55.36 52.75 2aby s GLN 48 Cb 0.00 -0.73 0.00 0.00 -0.22 0.00 0.00 33.01 32.06 2aby s GLN 48 CO 0.00 0.17 -0.21 -1.59 -0.25 0.00 0.00 175.29 173.41 2aby s LYS 49 N -1.15 2.63 0.08 2.91 0.00 -1.26 -0.06 119.74 122.88 2aby s LYS 49 Ca -0.01 -0.77 0.05 0.00 0.00 0.00 0.00 55.97 55.23 2aby s LYS 49 Cb -0.08 -2.05 -0.03 0.00 0.00 0.00 0.00 37.83 35.67 2aby s LYS 49 CO 0.01 0.18 -0.13 0.71 0.00 0.00 0.00 175.35 176.13 2aby s TYR 50 N 0.32 1.12 -0.17 1.78 1.51 0.10 -4.98 117.35 117.03 2aby s TYR 50 Ca -0.15 -0.51 -0.07 0.00 -1.01 0.00 0.00 57.07 55.33 2aby s TYR 50 Cb -0.17 -0.63 -0.04 0.00 -0.11 0.00 0.00 41.96 41.01 2aby s TYR 50 CO 0.07 0.03 0.08 -0.06 -1.11 0.00 0.00 175.55 174.56 2aby s PHE 51 N -1.56 3.32 0.01 2.71 0.40 0.17 -0.65 117.98 122.38 2aby s PHE 51 Ca -0.01 0.19 0.02 0.00 -0.60 0.00 0.00 56.93 56.54 2aby s PHE 51 Cb -0.08 -2.06 -0.01 0.00 0.51 0.00 0.00 43.02 41.38 2aby s PHE 51 CO 0.02 0.28 -0.08 1.03 0.70 0.00 0.00 175.22 177.17 2aby s ARG 52 N 0.09 0.58 -0.07 0.44 3.00 -0.78 0.07 118.95 122.29 2aby s ARG 52 Ca 0.06 -0.40 0.03 0.00 0.00 0.00 0.00 55.73 55.43 2aby s ARG 52 Cb -0.12 -0.52 -0.02 0.00 0.00 0.00 0.00 34.95 34.29 2aby s ARG 52 CO 0.00 0.13 -0.16 0.96 0.00 0.00 0.00 175.30 176.23 2aby s ILE 53 N -0.48 2.84 -0.21 1.52 -5.25 0.66 -1.73 121.20 118.55 2aby s ILE 53 Ca -0.00 -0.79 -0.01 0.00 -0.99 0.00 0.00 60.65 58.86 2aby s ILE 53 Cb -0.05 -2.12 0.01 0.00 2.95 0.00 0.00 42.46 43.26 2aby s ILE 53 CO 0.00 0.57 -0.12 -0.22 -1.79 0.00 0.00 174.94 173.38 2aby s LEU 54 N -0.39 2.61 -0.19 0.37 0.20 -0.56 -1.76 118.68 118.97 2aby s LEU 54 Ca 0.04 -0.63 0.01 0.00 0.69 0.00 0.00 54.13 54.24 2aby s LEU 54 Cb -0.12 -1.60 0.02 0.00 -0.43 0.00 0.00 46.19 44.06 2aby s LEU 54 CO 0.02 -0.04 -0.18 0.12 -0.29 0.00 0.00 176.35 175.98 2aby s PHE 55 N 1.35 2.82 0.05 5.38 2.19 -0.54 -1.45 117.98 127.78 2aby s PHE 55 Ca 0.04 -1.63 0.02 0.00 0.33 0.00 0.00 56.93 55.69 2aby s PHE 55 Cb -0.14 -1.94 -0.03 0.00 -1.31 0.00 0.00 43.02 39.60 2aby s PHE 55 CO -0.08 -0.79 -0.07 1.14 1.83 0.00 0.00 175.22 177.25 2aby s GLN 56 N 1.30 0.55 0.56 10.12 -2.07 -0.47 -0.54 119.66 129.11 2aby s GLN 56 Ca 0.04 -0.83 0.06 0.00 -1.82 0.00 0.00 55.36 52.81 2aby s GLN 56 Cb -0.13 -0.22 0.05 0.00 -1.09 0.00 0.00 33.01 31.62 2aby s GLN 56 CO -0.12 0.02 0.47 -1.54 -1.32 0.00 0.00 175.29 172.81 2aby s SER 57 N -1.81 4.67 -0.21 12.60 1.04 -1.25 -0.99 113.70 127.75 2aby s SER 57 Ca -0.07 -1.23 -0.05 0.00 0.48 0.00 0.00 55.95 55.08 2aby s SER 57 Cb -0.07 0.50 -0.20 0.00 0.10 0.00 0.00 66.02 66.35 2aby s SER 57 CO -0.01 -1.19 -0.01 1.17 0.98 0.00 0.00 173.24 174.18 2aby n LYS 58 N -1.87 0.67 0.00 4.02 0.00 -1.26 -4.19 118.16 115.54 2aby n LYS 58 Ca 0.01 0.24 0.14 0.00 0.00 0.00 0.00 58.31 58.69 2aby n LYS 58 Cb 0.64 -1.60 0.74 0.00 0.00 0.00 0.00 35.03 34.81 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 -3.55 0.55 -1.64 1.64 4.76 -1.26 -4.88 118.16 113.78 2aby n LYS 59 Ca -0.41 0.02 -0.59 0.00 -2.87 0.00 0.00 58.31 54.46 2aby n LYS 59 Cb 0.97 -1.50 -0.08 0.00 -1.84 0.00 0.00 35.03 32.58 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 -1.19 1.39 -4.66 -0.35 -0.00 -1.24 -4.94 117.00 106.01 2aby n LEU 60 Ca 0.16 1.13 -0.30 0.00 -0.00 0.00 0.00 56.01 57.00 2aby n LEU 60 Cb 0.18 -1.04 -0.09 0.00 -0.00 0.00 0.00 43.42 42.47 2aby n LEU 60 CO 0.19 -1.01 -0.36 -0.55 -0.00 0.00 0.00 177.39 175.67 2aby s SER 61 N 1.87 4.87 0.16 1.45 0.15 -1.26 -5.03 113.70 115.91 2aby s SER 61 Ca 0.95 -0.21 -0.07 0.00 0.70 0.00 0.00 55.95 57.33 2aby s SER 61 Cb -1.19 -1.12 0.02 0.00 -1.71 0.00 0.00 66.02 62.02 2aby s SER 61 CO 0.63 0.19 1.45 -0.33 1.20 0.00 0.00 173.24 176.38 2aby h GLU 62 N 3.62 0.67 0.00 5.44 5.08 -1.99 -3.45 114.58 123.95 2aby h GLU 62 Ca -0.48 -0.45 -0.14 0.00 -1.00 0.00 0.00 59.36 57.29 2aby h GLU 62 Cb 1.17 0.06 0.05 0.00 0.50 0.00 0.00 28.75 30.53 2aby h GLU 62 CO 0.58 1.06 0.11 1.28 -1.00 0.00 0.00 179.01 181.04 2aby n LEU 63 N -3.96 0.00 -2.65 1.33 7.99 -1.26 -4.78 117.00 113.67 2aby n LEU 63 Ca -0.04 -0.54 -0.01 0.00 -0.01 0.00 0.00 56.01 55.41 2aby n LEU 63 Cb 0.64 -0.30 0.00 0.00 -0.11 0.00 0.00 43.42 43.65 2aby n LEU 63 CO 0.49 -0.77 0.22 1.41 -1.51 0.00 0.00 177.39 177.23 2aby n HIS 64 N -2.39 -2.36 0.18 -1.77 8.25 -1.26 -4.93 115.22 110.94 2aby n HIS 64 Ca 0.05 0.91 0.04 0.00 -0.26 0.00 0.00 57.72 58.46 2aby n HIS 64 Cb 0.19 -3.49 0.35 0.00 1.12 0.00 0.00 29.99 28.16 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 0.60 0.00 -0.34 -0.41 0.13 -1.96 -2.96 132.00 127.06 2aby h PRO 65 Ca 0.00 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 65.23 2aby h PRO 65 Cb 0.95 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.06 2aby h PRO 65 CO 0.21 0.40 0.28 1.49 -0.23 0.00 0.00 178.00 180.15 2aby h GLU 66 N 0.00 0.00 -0.08 0.86 4.81 -2.01 -0.55 114.58 117.61 2aby h GLU 66 Ca -0.00 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 58.99 2aby h GLU 66 Cb 0.79 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.19 2aby h GLU 66 CO 0.05 0.00 -0.88 0.93 -0.73 0.00 0.00 179.01 178.38 2aby h GLU 67 N 0.00 0.71 -0.29 1.92 5.08 -1.89 -2.77 114.58 117.33 2aby h GLU 67 Ca 0.16 -0.65 0.06 0.00 -1.00 0.00 0.00 59.36 57.93 2aby h GLU 67 Cb 0.71 0.16 -0.05 0.00 0.50 0.00 0.00 28.75 30.07 2aby h GLU 67 CO -0.00 1.25 -0.06 0.00 -1.00 0.00 0.00 179.01 179.20 2aby h ARG 68 N 0.45 0.02 -0.66 2.33 3.08 -1.22 -0.68 114.38 117.70 2aby h ARG 68 Ca -0.08 -0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.88 2aby h ARG 68 Cb 1.52 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.54 2aby h ARG 68 CO 0.17 0.01 0.07 1.57 -1.07 0.00 0.00 179.97 180.73 2aby h LYS 69 N 0.02 1.11 0.03 0.04 2.10 -1.59 -0.64 116.57 117.63 2aby h LYS 69 Ca 0.14 -0.32 0.02 0.00 -2.00 0.00 0.00 60.65 58.50 2aby h LYS 69 Cb 0.21 -0.12 -0.03 0.00 -0.90 0.00 0.00 32.23 31.39 2aby h LYS 69 CO -0.29 1.03 -0.17 -0.22 -2.00 0.00 0.00 179.45 177.81 2aby h LYS 70 N 1.03 -0.28 -0.19 0.07 3.64 -1.07 -1.46 116.57 118.31 2aby h LYS 70 Ca 0.20 0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.49 2aby h LYS 70 Cb 0.48 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.36 2aby h LYS 70 CO 0.02 -0.19 -0.32 -0.39 -2.27 0.00 0.00 179.45 176.30 2aby h VAL 71 N -0.29 1.28 0.20 2.00 -1.51 -1.09 -1.20 116.25 115.64 2aby h VAL 71 Ca 0.04 -1.36 0.00 0.00 -1.23 0.00 0.00 66.70 64.16 2aby h VAL 71 Cb 0.34 1.49 -0.02 0.00 -2.13 0.00 0.00 31.29 30.98 2aby h VAL 71 CO -0.14 0.42 -0.21 -0.09 -1.23 0.00 0.00 177.57 176.32 2aby h ARG 72 N 0.32 -0.43 -0.34 5.19 9.65 -0.55 0.20 114.38 128.42 2aby h ARG 72 Ca 0.04 0.03 -0.17 0.00 -1.10 0.00 0.00 59.98 58.78 2aby h ARG 72 Cb 0.73 0.10 -0.00 0.00 -1.39 0.00 0.00 29.97 29.40 2aby h ARG 72 CO 0.06 -0.29 -0.45 1.05 2.80 0.00 0.00 179.97 183.14 2aby h GLU 73 N -0.44 0.91 0.18 0.20 4.11 -1.26 -0.95 114.58 117.33 2aby h GLU 73 Ca 0.00 -0.52 0.00 0.00 0.07 0.00 0.00 59.36 58.91 2aby h GLU 73 Cb 0.42 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 2aby h GLU 73 CO -0.06 1.17 -0.16 -0.22 0.07 0.00 0.00 179.01 179.81 2aby h LYS 74 N 0.72 -0.35 -0.21 1.06 1.63 -1.02 -0.99 116.57 117.42 2aby h LYS 74 Ca 0.04 0.02 -0.10 0.00 -0.85 0.00 0.00 60.65 59.76 2aby h LYS 74 Cb 1.05 0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 32.75 2aby h LYS 74 CO 0.11 -0.23 -0.32 0.27 -3.45 0.00 0.00 179.45 175.83 2aby h PHE 75 N -0.36 0.48 -0.42 1.91 -5.15 -0.63 -1.60 116.94 111.17 2aby h PHE 75 Ca -0.00 -0.11 0.01 0.00 -0.20 0.00 0.00 57.97 57.66 2aby h PHE 75 Cb 0.33 -0.11 -0.02 0.00 0.22 0.00 0.00 35.95 36.37 2aby h PHE 75 CO -0.12 0.69 0.27 -0.44 -2.00 0.00 0.00 178.31 176.71 2aby h ASP 76 N 0.36 0.46 -0.08 -0.68 3.32 -0.80 -0.34 116.42 118.67 2aby h ASP 76 Ca 0.05 -0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.02 2aby h ASP 76 Cb 0.74 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.18 2aby h ASP 76 CO 0.06 0.33 -0.20 -0.33 -1.72 0.00 0.00 179.24 177.38 2aby h GLU 77 N 0.55 0.27 -0.99 3.56 5.08 -1.08 -0.83 114.58 121.15 2aby h GLU 77 Ca 0.16 -0.19 0.12 0.00 -1.00 0.00 0.00 59.36 58.45 2aby h GLU 77 Cb -0.05 0.03 -0.09 0.00 0.50 0.00 0.00 28.75 29.15 2aby h GLU 77 CO -0.04 0.80 0.62 -0.97 -1.00 0.00 0.00 179.01 178.41 2aby h ASN 78 N -0.21 0.89 0.01 1.42 -0.73 -1.18 0.42 115.58 116.21 2aby h ASN 78 Ca -0.00 0.05 -0.15 0.00 1.87 0.00 0.00 56.30 58.07 2aby h ASN 78 Cb 0.81 -0.13 0.01 0.00 0.27 0.00 0.00 38.32 39.29 2aby h ASN 78 CO 0.04 0.47 -0.59 0.77 -0.37 0.00 0.00 177.43 177.75 2aby h SER 79 N 0.96 0.51 0.48 1.15 4.64 -1.06 -3.13 113.55 117.09 2aby h SER 79 Ca 0.50 -0.77 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 2aby h SER 79 Cb 0.51 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 2aby h SER 79 CO -0.27 1.22 0.00 -2.11 -0.87 0.00 0.00 176.83 174.79 2aby n ARG 80 N -4.23 0.05 -1.26 4.77 -4.01 -0.32 -4.86 116.66 106.80 2aby n ARG 80 Ca -0.10 0.21 -0.39 0.00 -1.04 0.00 0.00 57.85 56.53 2aby n ARG 80 Cb 0.67 -1.50 0.01 0.00 -3.04 0.00 0.00 32.46 28.60 2aby n ARG 80 CO 0.00 0.00 0.00 -1.33 -3.04 0.00 0.00 177.63 173.26 2aby n MET 81 N -1.45 0.05 -1.52 2.89 2.81 0.14 -4.80 117.12 115.23 2aby n MET 81 Ca 0.05 0.02 -0.38 0.00 -1.81 0.00 0.00 57.70 55.58 2aby n MET 81 Cb 0.17 -1.07 0.04 0.00 -0.71 0.00 0.00 33.22 31.66 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 1.37 0.63 -0.31 0.03 6.02 -1.26 -4.68 117.38 119.18 2aby n GLN 82 Ca 0.08 0.25 -0.01 0.00 -0.01 0.00 0.00 57.00 57.31 2aby n GLN 82 Cb 0.47 -1.87 0.16 0.00 1.02 0.00 0.00 30.24 30.02 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 0.30 1.15 -0.18 1.08 3.20 -1.96 0.04 116.97 120.60 2aby h TYR 83 Ca -0.47 0.02 0.05 0.00 3.14 0.00 0.00 58.73 61.47 2aby h TYR 83 Cb 1.39 -0.39 -0.06 0.00 1.54 0.00 0.00 36.73 39.22 2aby h TYR 83 CO 0.33 0.73 -0.18 0.77 -1.64 0.00 0.00 178.16 178.18 2aby h SER 84 N 1.23 -0.56 -0.16 -2.11 0.02 -1.99 0.31 113.55 110.29 2aby h SER 84 Ca 0.33 0.11 -0.17 0.00 -0.84 0.00 0.00 61.79 61.22 2aby h SER 84 Cb -0.12 0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.69 2aby h SER 84 CO -0.07 -0.22 -0.51 -0.08 -1.14 0.00 0.00 176.83 174.81 2aby h GLU 85 N -0.20 0.74 -0.74 3.45 4.57 -1.85 -0.64 114.58 119.91 2aby h GLU 85 Ca 0.11 -0.45 0.00 0.00 -1.18 0.00 0.00 59.36 57.85 2aby h GLU 85 Cb 0.37 0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 28.97 2aby h GLU 85 CO -0.30 1.07 0.48 1.25 -1.18 0.00 0.00 179.01 180.33 2aby h LEU 86 N 0.58 0.86 -0.16 1.64 7.12 -0.41 0.26 115.31 125.19 2aby h LEU 86 Ca 0.02 -0.03 -0.19 0.00 0.13 0.00 0.00 57.88 57.81 2aby h LEU 86 Cb 1.08 -0.21 -0.03 0.00 -0.53 0.00 0.00 40.66 40.97 2aby h LEU 86 CO 0.11 0.63 -0.91 0.24 -0.13 0.00 0.00 178.44 178.38 2aby h MET 87 N 1.00 0.00 -0.19 1.25 2.86 -0.38 -3.16 114.93 116.32 2aby h MET 87 Ca 0.27 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.72 2aby h MET 87 Cb -0.10 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.56 2aby h MET 87 CO -0.06 0.91 -0.66 1.15 1.06 0.00 0.00 176.91 179.31 2aby h THR 88 N 0.00 1.30 0.00 2.22 2.02 -0.62 0.38 112.91 118.22 2aby h THR 88 Ca -0.01 -1.90 0.00 0.00 0.77 0.00 0.00 66.41 65.28 2aby h THR 88 Cb 1.62 1.86 0.00 0.00 -1.74 0.00 0.00 68.15 69.89 2aby h THR 88 CO 0.12 0.60 0.00 1.17 0.37 0.00 0.00 175.52 177.78 2aby n LYS 89 N -3.94 0.10 -0.06 6.66 3.00 0.87 0.93 118.16 125.71 2aby n LYS 89 Ca -0.05 0.12 -0.08 0.00 -0.00 0.00 0.00 58.31 58.30 2aby n LYS 89 Cb 0.68 -1.50 -0.07 0.00 0.00 0.00 0.00 35.03 34.13 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 -1.43 0.00 0.01 5.64 9.36 -1.09 -3.74 117.16 125.91 2aby n TYR 90 Ca 0.07 0.00 0.01 0.00 3.32 0.00 0.00 57.90 61.30 2aby n TYR 90 Cb 0.22 -0.54 -0.11 0.00 -0.63 0.00 0.00 39.34 38.29 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 -2.72 0.62 -0.12 2.98 -0.00 0.13 -3.79 115.22 112.32 2aby n HIS 91 Ca -0.22 0.20 -0.21 0.00 0.46 0.00 0.00 57.72 57.95 2aby n HIS 91 Cb 0.80 -0.95 -0.07 0.00 -0.12 0.00 0.00 29.99 29.64 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 -2.73 1.94 0.34 0.26 -0.08 0.26 -4.37 116.55 112.18 2aby n ASP 92 Ca -0.12 0.35 0.20 0.00 -1.51 0.00 0.00 54.79 53.72 2aby n ASP 92 Cb 0.82 -0.80 1.09 0.00 2.34 0.00 0.00 41.12 44.57 2aby n ASP 92 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 2aby h LEU 93 N -1.00 0.00 -1.07 -2.67 7.12 -1.43 0.40 115.31 116.66 2aby h LEU 93 Ca -0.40 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.61 2aby h LEU 93 Cb 1.33 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.46 2aby h LEU 93 CO -0.24 0.00 0.00 2.29 -0.13 0.00 0.00 178.44 180.36 2aby n LYS 94 N -3.00 0.17 -0.18 1.25 -0.00 -1.25 -2.43 118.16 112.72 2aby n LYS 94 Ca -0.03 0.53 -0.04 0.00 -0.00 0.00 0.00 58.31 58.78 2aby n LYS 94 Cb 0.16 -1.92 0.06 0.00 -0.00 0.00 0.00 35.03 33.34 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 0.54 -0.21 -1.58 1.79 -1.16 -2.72 116.57 113.23 2aby h LYS 95 Ca 0.00 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 2aby h LYS 95 Cb 0.19 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 30.72 2aby h LYS 95 CO 0.00 0.35 0.00 1.04 -1.08 0.00 0.00 179.45 179.76 2aby n GLN 96 N -4.86 2.59 -4.37 3.15 1.13 -1.08 -4.98 117.38 108.96 2aby n GLN 96 Ca 0.05 -2.66 -0.19 0.00 -1.94 0.00 0.00 57.00 52.27 2aby n GLN 96 Cb 0.14 -1.69 -0.15 0.00 0.11 0.00 0.00 30.24 28.66 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 -2.00 0.46 -0.35 1.08 0.00 -1.02 -4.96 107.32 100.53 2aby s GLY 97 Ca 0.37 -0.38 -0.13 0.00 0.00 0.00 0.00 44.72 44.57 2aby s GLY 97 CO 0.08 -0.29 0.25 0.54 0.00 0.00 0.00 173.10 173.68 2aby s LYS 98 N -0.15 3.39 -0.01 2.90 -0.14 -1.26 -4.57 119.74 119.90 2aby s LYS 98 Ca 0.03 -0.72 0.02 0.00 -1.36 0.00 0.00 55.97 53.94 2aby s LYS 98 Cb -0.04 -3.83 -0.03 0.00 -1.68 0.00 0.00 37.83 32.24 2aby s LYS 98 CO -0.00 -0.50 -0.04 -1.50 -0.76 0.00 0.00 175.35 172.55 2aby s ILE 99 N 1.71 3.87 0.31 2.17 2.07 -1.26 -3.31 121.20 126.76 2aby s ILE 99 Ca 0.06 -0.67 0.08 0.00 -1.41 0.00 0.00 60.65 58.71 2aby s ILE 99 Cb -0.18 -2.69 -0.06 0.00 0.13 0.00 0.00 42.46 39.66 2aby s ILE 99 CO 0.10 0.41 -0.08 -0.54 -1.91 0.00 0.00 174.94 172.93 2aby s LYS 100 N -1.41 1.68 -0.69 3.50 1.02 -1.26 -5.09 119.74 117.49 2aby s LYS 100 Ca 0.18 -1.86 -0.02 0.00 0.02 0.00 0.00 55.97 54.29 2aby s LYS 100 Cb -0.11 -1.42 0.18 0.00 -0.52 0.00 0.00 37.83 35.95 2aby s LYS 100 CO 0.08 0.09 0.52 0.34 -0.92 0.00 0.00 175.35 175.46 2aby s ASP 101 N -3.52 5.33 0.19 2.83 2.15 -1.26 -4.84 116.67 117.55 2aby s ASP 101 Ca 0.31 -3.17 -0.30 0.00 0.43 0.00 0.00 52.55 49.82 2aby s ASP 101 Cb 0.03 -1.84 -0.08 0.00 -0.30 0.00 0.00 42.92 40.73 2aby s ASP 101 CO 0.14 -0.29 1.19 -0.60 -0.17 0.00 0.00 175.17 175.45 2aby s ARG 102 N -0.53 4.50 0.29 4.34 6.06 -1.26 -5.00 118.95 127.35 2aby s ARG 102 Ca 0.20 1.88 -0.29 0.00 -2.50 0.00 0.00 55.73 55.02 2aby s ARG 102 Cb -0.16 -3.23 -0.10 0.00 0.06 0.00 0.00 34.95 31.52 2aby s ARG 102 CO -0.06 -0.07 1.24 -1.25 -2.50 0.00 0.00 175.30 172.66 2aby s PRO 103 N -0.36 4.45 0.23 5.12 0.04 -1.26 -4.96 135.00 138.25 2aby s PRO 103 Ca 0.52 2.06 -0.30 0.00 0.04 0.00 0.00 61.00 63.32 2aby s PRO 103 Cb -0.33 -3.13 -0.09 0.00 0.04 0.00 0.00 34.50 30.99 2aby s PRO 103 CO 0.37 -0.08 1.28 0.54 0.04 0.00 0.00 177.00 179.15 2aby s VAL 104 N -0.89 3.18 0.07 -0.36 0.11 -1.26 -4.84 120.40 116.41 2aby s VAL 104 Ca 0.49 1.02 -0.14 0.00 -2.93 0.00 0.00 61.98 60.43 2aby s VAL 104 Cb -0.37 -3.65 -0.06 0.00 -1.53 0.00 0.00 36.38 30.77 2aby s VAL 104 CO 0.46 0.18 0.46 -0.54 -3.33 0.00 0.00 175.10 172.33 2aby s LYS 105 N -0.55 3.92 0.24 1.54 -0.14 -0.67 -4.79 119.74 119.30 2aby s LYS 105 Ca 0.54 0.40 -0.30 0.00 -1.36 0.00 0.00 55.97 55.26 2aby s LYS 105 Cb -0.36 -3.08 -0.09 0.00 -1.68 0.00 0.00 37.83 32.62 2aby s LYS 105 CO 0.41 0.59 1.09 -1.21 -0.76 0.00 0.00 175.35 175.47 2aby s GLU 106 N -1.55 4.64 -0.06 1.68 2.02 -1.26 0.38 118.70 124.54 2aby s GLU 106 Ca 0.31 1.75 0.00 0.00 0.02 0.00 0.00 54.97 57.05 2aby s GLU 106 Cb -0.16 -3.23 -0.03 0.00 0.10 0.00 0.00 34.13 30.82 2aby s GLU 106 CO 0.17 0.19 -0.04 0.08 0.02 0.00 0.00 175.26 175.68 2aby s VAL 107 N -0.86 3.91 0.48 2.63 1.01 -0.37 -4.85 120.40 122.35 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 -0.31 -2.63 -0.03 0.00 0.00 0.00 0.00 36.38 33.42 2aby s VAL 107 CO 0.38 0.57 0.01 -1.38 0.00 0.00 0.00 175.10 174.69 2aby s HIS 108 N -0.86 1.99 -0.19 5.22 -3.43 -1.26 -4.13 115.29 112.62 2aby s HIS 108 Ca 0.13 -0.93 -0.29 0.00 -0.80 0.00 0.00 55.06 53.18 2aby s HIS 108 Cb -0.11 -1.60 0.00 0.00 -1.43 0.00 0.00 32.58 29.44 2aby s HIS 108 CO 0.03 0.23 1.06 -1.21 -2.00 0.00 0.00 174.74 172.84 2aby s GLU 109 N -3.83 4.29 0.00 -0.38 2.02 -1.26 -4.93 118.70 114.61 2aby s GLU 109 Ca 0.13 1.40 0.00 0.00 0.02 0.00 0.00 54.97 56.52 2aby s GLU 109 Cb 0.03 -3.63 0.00 0.00 0.10 0.00 0.00 34.13 30.64 2aby s GLU 109 CO 0.07 -0.57 0.00 -1.91 0.02 0.00 0.00 175.26 172.87 2aby n GLU 110 N 6.05 -1.26 -3.71 1.61 2.13 -1.26 -5.07 120.64 119.13 2aby n GLU 110 Ca 0.11 0.00 -0.28 0.00 0.66 0.00 0.00 57.16 57.66 2aby n GLU 110 Cb 0.46 0.00 -0.11 0.00 0.27 0.00 0.00 31.44 32.07 2aby n GLU 110 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 2aby n TYR 111 N 3.33 2.93 0.03 4.31 4.02 -1.26 -4.85 117.16 125.67 2aby n TYR 111 Ca 0.00 -4.17 -0.01 0.00 -0.01 0.00 0.00 57.90 53.71 2aby n TYR 111 Cb 0.00 -0.53 -0.00 0.00 -0.02 0.00 0.00 39.34 38.78 2aby n TYR 111 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 2aby n ASP 112 N 1.69 1.07 -3.11 7.72 9.92 -1.26 -5.07 116.55 127.51 2aby n ASP 112 Ca 0.24 0.14 -0.12 0.00 -0.53 0.00 0.00 54.79 54.52 2aby n ASP 112 Cb 0.38 -0.34 0.12 0.00 -0.64 0.00 0.00 41.12 40.64 2aby n ASP 112 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2aby n LEU 113 N -3.54 0.00 -0.31 0.64 4.77 -1.26 -4.88 117.00 112.42 2aby n LEU 113 Ca -0.02 -0.34 -0.05 0.00 -0.03 0.00 0.00 56.01 55.57 2aby n LEU 113 Cb 0.12 -0.40 0.07 0.00 -2.33 0.00 0.00 43.42 40.88 2aby n LEU 113 CO 0.02 -2.03 1.12 -0.50 -1.33 0.00 0.00 177.39 174.67 2aby h TRP 114 N -2.61 1.18 -6.03 -1.77 -0.00 -2.00 -3.47 115.95 101.25 2aby h TRP 114 Ca -0.15 -0.05 -0.28 0.00 -0.00 0.00 0.00 58.89 58.40 2aby h TRP 114 Cb 0.52 -0.37 0.04 0.00 -0.00 0.00 0.00 29.16 29.35 2aby h TRP 114 CO 0.00 0.85 -0.64 0.39 -0.00 0.00 0.00 178.44 179.04 2aby n GLU 115 N -4.34 -1.40 0.02 0.49 1.02 -1.26 -4.77 120.64 110.40 2aby n GLU 115 Ca 0.08 0.94 0.00 0.00 -0.02 0.00 0.00 57.16 58.16 2aby n GLU 115 Cb 0.13 -4.27 0.00 0.00 -0.02 0.00 0.00 31.44 27.28 2aby n GLU 115 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2aby n ASP 116 N -2.36 -0.42 0.08 1.62 8.00 -1.26 -4.90 116.55 117.31 2aby n ASP 116 Ca -0.12 0.44 -0.12 0.00 0.71 0.00 0.00 54.79 55.70 2aby n ASP 116 Cb 0.59 0.75 -0.08 0.00 -0.02 0.00 0.00 41.12 42.36 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 -0.25 0.00 -0.24 0.13 -1.89 -3.07 132.00 126.68 2aby h PRO 117 Ca 0.00 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 2aby h PRO 117 Cb 0.00 0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.19 2aby h PRO 117 CO 0.00 0.14 -0.17 0.44 -0.23 0.00 0.00 178.00 178.18 2aby n ILE 118 N -5.00 0.09 0.02 -3.56 -6.64 -1.26 -2.96 119.36 100.06 2aby n ILE 118 Ca -0.09 -0.05 -0.13 0.00 -1.77 0.00 0.00 62.75 60.71 2aby n ILE 118 Cb 0.26 -0.29 -0.01 0.00 -1.44 0.00 0.00 39.64 38.15 2aby n ILE 118 CO 0.00 0.00 0.00 -0.25 -1.77 0.00 0.00 176.55 174.53 2aby h TRP 119 N 0.00 0.77 0.00 4.28 -0.00 -1.90 -3.41 115.95 115.69 2aby h TRP 119 Ca 0.00 -0.34 0.00 0.00 -0.00 0.00 0.00 58.89 58.55 2aby h TRP 119 Cb 0.54 -0.12 0.00 0.00 -0.00 0.00 0.00 29.16 29.58 2aby h TRP 119 CO 0.00 1.13 0.00 0.94 -0.00 0.00 0.00 178.44 180.51 2aby n GLN 120 N -3.88 0.00 -3.73 2.65 7.27 -1.16 -4.98 117.38 113.55 2aby n GLN 120 Ca -0.06 0.09 -0.07 0.00 0.07 0.00 0.00 57.00 57.03 2aby n GLN 120 Cb 0.73 -0.44 -0.02 0.00 2.41 0.00 0.00 30.24 32.92 2aby n GLN 120 CO 0.00 0.00 0.00 0.71 0.07 0.00 0.00 177.06 177.84 2aby s TYR 121 N -0.56 -0.24 -1.23 3.69 2.02 -1.15 -5.13 117.35 114.75 2aby s TYR 121 Ca 0.00 -0.11 0.00 0.00 -0.37 0.00 0.00 57.07 56.59 2aby s TYR 121 Cb 0.00 0.65 0.00 0.00 -0.40 0.00 0.00 41.96 42.21 2aby s TYR 121 CO 0.00 -1.01 0.31 0.44 -1.57 0.00 0.00 175.55 173.71