#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aby h GLN 2 N 0.00 0.24 -6.43 2.12 1.08 -2.01 -3.46 115.11 106.65 2aby h GLN 2 Ca 0.00 -0.42 -0.52 0.00 -1.45 0.00 0.00 58.65 56.26 2aby h GLN 2 Cb 0.00 0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.57 2aby h GLN 2 CO 0.00 1.10 -0.18 0.15 -0.95 0.00 0.00 178.83 178.95 2aby s LYS 3 N -2.61 3.61 0.00 1.46 3.01 -1.26 -4.59 119.74 119.36 2aby s LYS 3 Ca -0.09 -0.06 0.00 0.00 -1.01 0.00 0.00 55.97 54.80 2aby s LYS 3 Cb 0.07 -2.69 0.00 0.00 -1.01 0.00 0.00 37.83 34.20 2aby s LYS 3 CO 0.85 0.25 0.00 0.41 0.51 0.00 0.00 175.35 177.37 2aby n GLY 4 N -0.87 1.51 3.10 -3.33 0.00 -1.26 -4.98 105.19 99.35 2aby n GLY 4 Ca -0.02 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.92 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 2.34 -0.08 0.99 2.01 -1.26 -3.77 118.68 118.90 2aby s LEU 5 Ca 0.00 -0.92 0.04 0.00 0.01 0.00 0.00 54.13 53.26 2aby s LEU 5 Cb 0.00 0.29 -0.01 0.00 0.01 0.00 0.00 46.19 46.48 2aby s LEU 5 CO 0.00 -0.59 -0.20 -1.61 1.01 0.00 0.00 176.35 174.96 2aby s GLU 6 N -3.72 2.88 -0.01 1.70 2.02 -1.26 -3.59 118.70 116.72 2aby s GLU 6 Ca 0.05 -0.81 -0.05 0.00 0.02 0.00 0.00 54.97 54.18 2aby s GLU 6 Cb 0.06 -2.35 0.00 0.00 0.10 0.00 0.00 34.13 31.95 2aby s GLU 6 CO -0.09 0.33 0.11 0.96 0.02 0.00 0.00 175.26 176.58 2aby s ILE 7 N 0.00 0.06 0.07 -1.63 -0.00 -0.15 -4.99 121.20 114.56 2aby s ILE 7 Ca -0.07 -0.53 0.09 0.00 -0.00 0.00 0.00 60.65 60.14 2aby s ILE 7 Cb -0.15 -0.33 -0.03 0.00 -0.00 0.00 0.00 42.46 41.95 2aby s ILE 7 CO 0.05 -0.29 -0.22 0.00 -0.00 0.00 0.00 174.94 174.48 2aby s ALA 8 N -0.97 2.47 -0.01 2.27 0.00 -1.26 -1.49 121.76 122.77 2aby s ALA 8 Ca -0.11 -1.28 0.01 0.00 0.00 0.00 0.00 51.96 50.59 2aby s ALA 8 Cb -0.06 -0.59 0.00 0.00 0.00 0.00 0.00 23.12 22.47 2aby s ALA 8 CO 0.01 0.56 -0.04 0.12 0.00 0.00 0.00 175.76 176.41 2aby s PHE 9 N -0.94 0.42 0.12 0.00 5.36 -0.53 -4.48 117.98 117.93 2aby s PHE 9 Ca 0.14 -0.08 -0.04 0.00 -0.96 0.00 0.00 56.93 56.00 2aby s PHE 9 Cb -0.10 -0.31 -0.05 0.00 -0.34 0.00 0.00 43.02 42.21 2aby s PHE 9 CO 0.05 -0.04 0.34 -1.14 -1.46 0.00 0.00 175.22 172.97 2aby s GLN 10 N 0.14 3.58 -0.02 10.12 0.74 -1.26 -0.46 119.66 132.49 2aby s GLN 10 Ca -0.01 -0.16 -0.25 0.00 0.05 0.00 0.00 55.36 54.98 2aby s GLN 10 Cb -0.05 -2.89 0.06 0.00 1.10 0.00 0.00 33.01 31.23 2aby s GLN 10 CO -0.00 0.50 0.56 -0.08 -0.55 0.00 0.00 175.29 175.72 2aby s THR 11 N -1.62 0.02 0.21 -0.34 -1.32 0.12 -4.96 115.64 107.76 2aby s THR 11 Ca 0.40 -0.16 0.00 0.00 -1.21 0.00 0.00 61.69 60.72 2aby s THR 11 Cb -0.12 -0.90 0.00 0.00 -1.51 0.00 0.00 72.50 69.96 2aby s THR 11 CO 0.25 -0.09 0.00 -0.38 -2.21 0.00 0.00 174.62 172.20 2aby n ILE 12 N 0.88 0.44 -3.57 5.08 -0.00 -1.26 -0.76 119.36 120.17 2aby n ILE 12 Ca -0.19 0.15 0.03 0.00 -0.00 0.00 0.00 62.75 62.73 2aby n ILE 12 Cb 0.57 -0.91 -0.00 0.00 -0.00 0.00 0.00 39.64 39.30 2aby n ILE 12 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.55 176.76 2aby s ASN 13 N -5.36 -0.00 0.91 4.38 2.47 -1.26 -4.77 114.94 111.31 2aby s ASN 13 Ca 0.00 -0.00 0.00 0.00 0.42 0.00 0.00 52.86 53.28 2aby s ASN 13 Cb 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 41.25 39.80 2aby s ASN 13 CO 0.00 -0.00 0.00 0.61 -3.72 0.00 0.00 177.10 173.99 2aby n GLY 14 N -0.41 1.62 0.13 1.21 0.00 -1.26 -3.31 105.19 103.18 2aby n GLY 14 Ca -0.07 -0.35 0.13 0.00 0.00 0.00 0.00 46.02 45.73 2aby n GLY 14 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2aby h LEU 15 N 0.00 0.00 0.00 0.99 -0.00 -2.01 -3.27 115.31 111.02 2aby h LEU 15 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.87 2aby h LEU 15 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.66 2aby h LEU 15 CO 0.00 0.00 -0.05 0.44 -0.00 0.00 0.00 178.44 178.83 2aby h ASP 16 N 0.00 0.00 -0.90 -0.43 5.19 -1.95 -3.09 116.42 115.24 2aby h ASP 16 Ca 0.00 -0.64 0.20 0.00 -0.62 0.00 0.00 57.03 55.97 2aby h ASP 16 Cb 0.73 0.00 -0.11 0.00 0.18 0.00 0.00 39.33 40.13 2aby h ASP 16 CO 0.00 0.85 0.44 1.05 -3.12 0.00 0.00 179.24 178.45 2aby h GLU 17 N -1.00 0.49 -0.42 3.56 4.11 -1.76 0.13 114.58 119.69 2aby h GLU 17 Ca -0.01 -0.03 -0.04 0.00 0.07 0.00 0.00 59.36 59.35 2aby h GLU 17 Cb 0.67 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 2aby h GLU 17 CO -0.01 0.32 0.12 0.77 0.07 0.00 0.00 179.01 180.28 2aby h SER 18 N 0.50 0.63 -0.35 3.06 0.02 -1.68 -1.20 113.55 114.53 2aby h SER 18 Ca 0.54 -0.22 -0.06 0.00 -0.84 0.00 0.00 61.79 61.21 2aby h SER 18 Cb 0.95 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 63.30 2aby h SER 18 CO -0.47 0.68 0.02 0.25 -1.14 0.00 0.00 176.83 176.18 2aby h LEU 19 N 0.54 0.66 0.09 5.07 6.46 -0.88 0.17 115.31 127.43 2aby h LEU 19 Ca 0.13 -0.14 -0.00 0.00 -0.12 0.00 0.00 57.88 57.75 2aby h LEU 19 Cb 0.29 -0.17 0.00 0.00 -0.73 0.00 0.00 40.66 40.05 2aby h LEU 19 CO -0.00 0.72 -0.04 0.58 -0.62 0.00 0.00 178.44 179.07 2aby h VAL 20 N 0.66 1.11 0.00 1.05 2.07 -0.58 0.39 116.25 120.96 2aby h VAL 20 Ca 0.14 -0.83 -0.07 0.00 0.82 0.00 0.00 66.70 66.76 2aby h VAL 20 Cb 0.38 1.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.78 2aby h VAL 20 CO 0.01 0.20 -0.31 0.06 0.02 0.00 0.00 177.57 177.55 2aby h GLN 21 N -0.51 0.00 0.00 1.57 3.07 -1.14 -0.07 115.11 118.03 2aby h GLN 21 Ca -0.01 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.73 2aby h GLN 21 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.99 2aby h GLN 21 CO 0.02 0.31 -0.00 0.00 0.09 0.00 0.00 178.83 179.25 2aby h ALA 22 N 1.69 -0.01 -0.23 0.06 0.00 -0.59 -3.14 119.26 117.04 2aby h ALA 22 Ca -0.00 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.51 2aby h ALA 22 Cb 0.66 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2aby h ALA 22 CO 0.04 -0.01 -0.07 1.37 0.00 0.00 0.00 179.25 180.58 2aby h LEU 23 N -0.99 0.34 0.37 0.00 8.10 -0.22 -1.46 115.31 121.45 2aby h LEU 23 Ca -0.00 -0.06 -0.02 0.00 0.11 0.00 0.00 57.88 57.91 2aby h LEU 23 Cb 0.70 -0.09 0.00 0.00 -0.44 0.00 0.00 40.66 40.83 2aby h LEU 23 CO 0.00 0.45 -0.18 0.00 -4.11 0.00 0.00 178.44 174.60 2aby h ALA 24 N 1.59 -0.50 -0.52 0.17 0.00 -1.12 0.71 119.26 119.59 2aby h ALA 24 Ca 0.07 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 2aby h ALA 24 Cb 0.34 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 2aby h ALA 24 CO 0.02 -0.76 -0.01 0.78 0.00 0.00 0.00 179.25 179.28 2aby h GLY 25 N -0.55 1.00 1.02 0.00 0.00 -1.48 -1.70 103.07 101.36 2aby h GLY 25 Ca -0.05 -0.74 -0.03 0.00 0.00 0.00 0.00 47.33 46.51 2aby h GLY 25 CO 0.08 0.68 0.36 -2.08 0.00 0.00 0.00 176.54 175.58 2aby h VAL 26 N 0.80 1.24 0.28 4.60 2.07 -1.21 0.97 116.25 125.00 2aby h VAL 26 Ca 0.15 -0.69 -0.01 0.00 0.82 0.00 0.00 66.70 66.97 2aby h VAL 26 Cb 0.54 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 2aby h VAL 26 CO 0.03 0.29 -0.13 0.71 0.02 0.00 0.00 177.57 178.48 2aby h THR 27 N 1.05 0.75 -0.74 2.57 1.35 -0.74 0.31 112.91 117.46 2aby h THR 27 Ca 0.26 -0.61 0.02 0.00 -0.55 0.00 0.00 66.41 65.52 2aby h THR 27 Cb 0.13 1.07 -0.04 0.00 -1.73 0.00 0.00 68.15 67.57 2aby h THR 27 CO -0.03 0.12 0.49 0.00 -0.25 0.00 0.00 175.52 175.85 2aby h ALA 28 N -0.13 1.50 -0.05 6.62 0.00 -1.27 0.20 119.26 126.14 2aby h ALA 28 Ca -0.04 -0.05 -0.22 0.00 0.00 0.00 0.00 54.91 54.60 2aby h ALA 28 Cb 0.49 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2aby h ALA 28 CO 0.06 0.45 -0.88 1.03 0.00 0.00 0.00 179.25 179.92 2aby h SER 29 N 0.97 0.65 1.43 0.00 0.87 -0.76 -3.10 113.55 113.61 2aby h SER 29 Ca 0.28 -0.48 0.00 0.00 -1.23 0.00 0.00 61.79 60.36 2aby h SER 29 Cb -0.06 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 61.70 2aby h SER 29 CO -0.07 1.26 0.00 -0.78 -0.53 0.00 0.00 176.83 176.72 2aby h ASP 30 N 0.32 0.00 -2.87 6.23 3.58 0.20 -3.35 116.42 120.53 2aby h ASP 30 Ca -0.07 0.00 -0.69 0.00 0.42 0.00 0.00 57.03 56.69 2aby h ASP 30 Cb 1.50 0.00 -0.37 0.00 1.72 0.00 0.00 39.33 42.18 2aby h ASP 30 CO 0.16 0.00 -0.11 0.49 -2.88 0.00 0.00 179.24 176.89 2aby n PHE 31 N -2.62 3.59 0.37 0.28 3.72 0.66 -4.86 117.46 118.60 2aby n PHE 31 Ca 0.04 -3.86 0.13 0.00 -0.05 0.00 0.00 57.45 53.71 2aby n PHE 31 Cb 0.41 -0.94 0.53 0.00 -0.94 0.00 0.00 39.48 38.54 2aby n PHE 31 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2aby h PRO 32 N 5.26 0.00 0.00 -1.08 0.13 -1.72 -2.95 132.00 131.64 2aby h PRO 32 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 2aby h PRO 32 Cb 0.72 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 2aby h PRO 32 CO 0.93 0.00 0.03 0.22 -0.23 0.00 0.00 178.00 178.95 2aby h ASP 33 N 0.00 0.00 -0.25 1.44 1.82 -1.91 -3.45 116.42 114.07 2aby h ASP 33 Ca 0.00 0.00 -0.11 0.00 -0.39 0.00 0.00 57.03 56.53 2aby h ASP 33 Cb 0.38 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 40.35 2aby h ASP 33 CO 0.00 0.00 -0.10 0.18 -1.61 0.00 0.00 179.24 177.71 2aby n LEU 34 N -2.81 0.04 -0.55 2.28 4.32 -1.11 -4.83 117.00 114.34 2aby n LEU 34 Ca -0.02 0.13 0.13 0.00 -0.02 0.00 0.00 56.01 56.22 2aby n LEU 34 Cb 0.08 -1.95 0.44 0.00 -1.62 0.00 0.00 43.42 40.38 2aby n LEU 34 CO 0.16 -0.70 0.82 0.47 -1.22 0.00 0.00 177.39 176.92 2aby n ASP 35 N -0.53 1.69 -4.65 -1.43 8.00 -1.26 -4.88 116.55 113.49 2aby n ASP 35 Ca -0.05 -1.62 -0.43 0.00 0.71 0.00 0.00 54.79 53.40 2aby n ASP 35 Cb 0.39 -0.05 -0.02 0.00 -0.02 0.00 0.00 41.12 41.41 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 -1.90 4.02 -0.81 0.53 2.07 -1.26 -4.16 121.20 119.68 2aby s ILE 36 Ca 0.35 1.21 0.02 0.00 -1.41 0.00 0.00 60.65 60.82 2aby s ILE 36 Cb 0.20 -3.86 0.26 0.00 0.13 0.00 0.00 42.46 39.18 2aby s ILE 36 CO 0.31 -0.20 0.94 0.29 -1.91 0.00 0.00 174.94 174.37 2aby n LYS 37 N 7.00 3.04 -4.60 3.50 4.76 -0.10 -5.01 118.16 126.74 2aby n LYS 37 Ca 0.15 -4.60 -0.27 0.00 -2.87 0.00 0.00 58.31 50.72 2aby n LYS 37 Cb 0.45 -2.36 -0.10 0.00 -1.84 0.00 0.00 35.03 31.18 2aby n LYS 37 CO 0.00 0.00 0.00 1.52 -1.37 0.00 0.00 177.40 177.55 2aby s TYR 38 N -2.32 2.33 -0.01 2.13 1.13 -1.26 -0.21 117.35 119.14 2aby s TYR 38 Ca 0.34 -0.77 -0.30 0.00 -1.41 0.00 0.00 57.07 54.93 2aby s TYR 38 Cb 0.07 -1.66 0.12 0.00 -1.10 0.00 0.00 41.96 39.39 2aby s TYR 38 CO -0.01 0.33 1.24 -0.80 -2.51 0.00 0.00 175.55 173.80 2aby s ASN 39 N -3.69 -0.08 -0.07 -0.18 0.01 -0.28 -4.97 114.94 105.68 2aby s ASN 39 Ca 0.32 -0.16 0.02 0.00 -0.71 0.00 0.00 52.86 52.33 2aby s ASN 39 Cb 0.09 0.20 0.01 0.00 0.41 0.00 0.00 41.25 41.96 2aby s ASN 39 CO 0.16 -0.37 -0.12 0.27 -1.51 0.00 0.00 177.10 175.53 2aby s ILE 40 N -2.53 1.17 0.06 0.60 -4.36 -1.26 -1.29 121.20 113.59 2aby s ILE 40 Ca 0.13 -0.48 0.04 0.00 -0.26 0.00 0.00 60.65 60.09 2aby s ILE 40 Cb 0.04 -1.08 -0.03 0.00 1.25 0.00 0.00 42.46 42.64 2aby s ILE 40 CO -0.03 0.37 -0.13 0.72 0.24 0.00 0.00 174.94 176.11 2aby s PHE 41 N 0.80 1.08 -0.33 1.37 -0.12 -0.86 -1.91 117.98 118.01 2aby s PHE 41 Ca -0.12 -0.46 -0.11 0.00 -0.05 0.00 0.00 56.93 56.19 2aby s PHE 41 Cb -0.15 -0.62 -0.01 0.00 -0.63 0.00 0.00 43.02 41.61 2aby s PHE 41 CO 0.02 0.02 0.20 -1.17 -0.05 0.00 0.00 175.22 174.25 2aby s LEU 42 N -1.66 4.39 -0.10 -1.99 1.98 0.18 -1.92 118.68 119.57 2aby s LEU 42 Ca -0.04 -0.53 -0.06 0.00 -2.89 0.00 0.00 54.13 50.62 2aby s LEU 42 Cb -0.10 -2.07 -0.04 0.00 0.66 0.00 0.00 46.19 44.64 2aby s LEU 42 CO 0.02 -0.24 0.12 0.68 -1.89 0.00 0.00 176.35 175.04 2aby s VAL 43 N 1.66 5.31 -0.27 1.68 -7.23 -0.26 -1.32 120.40 119.97 2aby s VAL 43 Ca 0.05 0.08 -0.01 0.00 -1.81 0.00 0.00 61.98 60.29 2aby s VAL 43 Cb -0.17 -3.33 0.08 0.00 0.56 0.00 0.00 36.38 33.52 2aby s VAL 43 CO 0.08 0.57 0.06 -0.62 -0.31 0.00 0.00 175.10 174.89 2aby s ASP 44 N -1.14 3.68 0.07 4.85 2.15 -1.18 -0.09 116.67 125.02 2aby s ASP 44 Ca 0.16 -1.34 0.06 0.00 0.43 0.00 0.00 52.55 51.86 2aby s ASP 44 Cb -0.12 -0.83 -0.03 0.00 -0.30 0.00 0.00 42.92 41.64 2aby s ASP 44 CO 0.06 -0.36 -0.16 -0.22 -0.17 0.00 0.00 175.17 174.32 2aby s LEU 45 N 1.65 2.25 -1.71 -1.34 0.20 0.95 -4.28 118.68 116.40 2aby s LEU 45 Ca 0.04 -0.58 0.00 0.00 0.69 0.00 0.00 54.13 54.28 2aby s LEU 45 Cb -0.17 -0.66 0.00 0.00 -0.43 0.00 0.00 46.19 44.93 2aby s LEU 45 CO -0.17 0.00 0.00 -1.22 -0.29 0.00 0.00 176.35 174.67 2aby n TYR 46 N 1.44 -0.78 0.00 5.38 4.02 -1.26 -0.41 117.16 125.55 2aby n TYR 46 Ca -0.20 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.69 2aby n TYR 46 Cb 0.54 -3.49 0.00 0.00 -0.02 0.00 0.00 39.34 36.37 2aby n TYR 46 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2aby n GLY 47 N -0.75 2.54 3.79 2.72 0.00 -1.26 -5.00 105.19 107.21 2aby n GLY 47 Ca -0.21 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.45 2aby n GLY 47 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2aby s GLN 48 N -0.19 3.94 -0.12 1.61 -2.07 0.46 -5.09 119.66 118.20 2aby s GLN 48 Ca 0.00 -0.08 0.01 0.00 -1.82 0.00 0.00 55.36 53.47 2aby s GLN 48 Cb 0.00 -3.33 -0.01 0.00 -1.09 0.00 0.00 33.01 28.58 2aby s GLN 48 CO 0.00 0.47 -0.15 -1.59 -1.32 0.00 0.00 175.29 172.70 2aby s LYS 49 N -0.18 3.29 0.05 9.60 0.00 -1.26 -0.04 119.74 131.21 2aby s LYS 49 Ca 0.13 -0.72 0.00 0.00 0.00 0.00 0.00 55.97 55.39 2aby s LYS 49 Cb -0.12 -2.57 -0.03 0.00 0.00 0.00 0.00 37.83 35.11 2aby s LYS 49 CO 0.02 0.23 -0.05 0.71 0.00 0.00 0.00 175.35 176.26 2aby s TYR 50 N 0.30 0.56 -0.18 1.78 1.51 0.88 -4.98 117.35 117.23 2aby s TYR 50 Ca -0.11 -0.79 -0.11 0.00 -1.01 0.00 0.00 57.07 55.05 2aby s TYR 50 Cb -0.16 -0.37 -0.05 0.00 -0.11 0.00 0.00 41.96 41.27 2aby s TYR 50 CO 0.06 -0.22 0.19 -0.06 -1.11 0.00 0.00 175.55 174.40 2aby s PHE 51 N -2.72 3.45 -0.02 2.71 0.40 0.06 -1.10 117.98 120.75 2aby s PHE 51 Ca -0.01 0.44 0.03 0.00 -0.60 0.00 0.00 56.93 56.79 2aby s PHE 51 Cb -0.01 -2.20 -0.00 0.00 0.51 0.00 0.00 43.02 41.33 2aby s PHE 51 CO -0.04 0.33 -0.10 1.03 0.70 0.00 0.00 175.22 177.14 2aby s ARG 52 N 0.22 0.92 -0.11 0.44 1.81 -0.81 0.16 118.95 121.58 2aby s ARG 52 Ca 0.12 -0.33 -0.01 0.00 -1.72 0.00 0.00 55.73 53.78 2aby s ARG 52 Cb -0.12 -0.87 -0.03 0.00 -0.45 0.00 0.00 34.95 33.49 2aby s ARG 52 CO 0.01 0.15 -0.07 0.96 -0.68 0.00 0.00 175.30 175.67 2aby s ILE 53 N 0.03 3.66 -0.17 1.52 -5.25 0.39 -2.02 121.20 119.37 2aby s ILE 53 Ca -0.01 -0.46 0.01 0.00 -0.99 0.00 0.00 60.65 59.21 2aby s ILE 53 Cb -0.07 -2.55 0.02 0.00 2.95 0.00 0.00 42.46 42.81 2aby s ILE 53 CO 0.00 0.54 -0.20 -0.22 -1.79 0.00 0.00 174.94 173.27 2aby s LEU 54 N -0.12 2.10 -0.14 0.37 0.20 -0.41 -1.45 118.68 119.22 2aby s LEU 54 Ca 0.01 -0.63 0.01 0.00 0.69 0.00 0.00 54.13 54.22 2aby s LEU 54 Cb -0.13 -1.45 0.00 0.00 -0.43 0.00 0.00 46.19 44.18 2aby s LEU 54 CO 0.03 0.01 -0.18 0.12 -0.29 0.00 0.00 176.35 176.04 2aby s PHE 55 N 1.20 2.73 0.07 5.38 5.36 -0.56 -1.13 117.98 131.04 2aby s PHE 55 Ca 0.02 -1.10 0.04 0.00 -0.96 0.00 0.00 56.93 54.93 2aby s PHE 55 Cb -0.14 -1.85 -0.03 0.00 -0.34 0.00 0.00 43.02 40.67 2aby s PHE 55 CO -0.10 -0.49 -0.11 -1.14 -1.46 0.00 0.00 175.22 171.91 2aby s GLN 56 N 0.75 0.74 0.43 10.12 0.74 0.71 -0.97 119.66 132.17 2aby s GLN 56 Ca -0.07 -0.96 0.07 0.00 0.05 0.00 0.00 55.36 54.45 2aby s GLN 56 Cb -0.16 -0.57 -0.03 0.00 1.10 0.00 0.00 33.01 33.35 2aby s GLN 56 CO 0.01 0.11 0.27 -1.12 -0.55 0.00 0.00 175.29 174.01 2aby s SER 57 N -1.91 4.66 -0.19 6.67 0.01 -1.24 -0.93 113.70 120.77 2aby s SER 57 Ca -0.02 -0.99 -0.01 0.00 1.31 0.00 0.00 55.95 56.23 2aby s SER 57 Cb -0.08 -0.39 -0.21 0.00 0.21 0.00 0.00 66.02 65.55 2aby s SER 57 CO 0.01 -0.65 0.05 0.29 0.41 0.00 0.00 173.24 173.35 2aby n LYS 58 N -1.41 0.70 0.00 12.44 4.76 -1.26 -4.15 118.16 129.25 2aby n LYS 58 Ca 0.00 0.20 0.14 0.00 -2.87 0.00 0.00 58.31 55.78 2aby n LYS 58 Cb 0.64 -1.61 0.76 0.00 -1.84 0.00 0.00 35.03 32.98 2aby n LYS 58 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 2aby n LYS 59 N -3.34 0.63 -1.36 1.97 4.81 -1.26 -4.85 118.16 114.76 2aby n LYS 59 Ca -0.39 0.02 -0.54 0.00 -0.87 0.00 0.00 58.31 56.52 2aby n LYS 59 Cb 1.02 -1.50 -0.10 0.00 0.02 0.00 0.00 35.03 34.47 2aby n LYS 59 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 2aby n LEU 60 N -1.14 1.31 -4.67 3.14 -0.00 -1.25 -4.91 117.00 109.48 2aby n LEU 60 Ca 0.17 0.50 -0.30 0.00 -0.00 0.00 0.00 56.01 56.38 2aby n LEU 60 Cb 0.16 -1.07 -0.08 0.00 -0.00 0.00 0.00 43.42 42.43 2aby n LEU 60 CO 0.18 -0.77 -0.35 -0.44 -0.00 0.00 0.00 177.39 176.01 2aby s SER 61 N 6.93 4.92 0.30 1.96 0.01 -1.26 -5.02 113.70 121.55 2aby s SER 61 Ca 1.17 -0.21 0.10 0.00 1.31 0.00 0.00 55.95 58.32 2aby s SER 61 Cb -1.19 -1.14 0.46 0.00 0.21 0.00 0.00 66.02 64.36 2aby s SER 61 CO 0.57 0.18 1.67 -0.08 0.41 0.00 0.00 173.24 175.99 2aby h GLU 62 N 3.48 0.04 -7.51 12.44 4.81 -1.97 -3.45 114.58 122.41 2aby h GLU 62 Ca -0.48 -0.02 -0.44 0.00 -0.13 0.00 0.00 59.36 58.29 2aby h GLU 62 Cb 1.16 0.00 0.16 0.00 0.63 0.00 0.00 28.75 30.70 2aby h GLU 62 CO 0.58 0.56 0.27 -0.51 -0.73 0.00 0.00 179.01 179.18 2aby s LEU 63 N -7.84 1.73 -0.51 1.64 2.01 -1.26 -4.62 118.68 109.82 2aby s LEU 63 Ca -0.02 0.76 -0.05 0.00 0.01 0.00 0.00 54.13 54.83 2aby s LEU 63 Cb 0.13 -2.85 0.01 0.00 0.01 0.00 0.00 46.19 43.49 2aby s LEU 63 CO 0.76 -3.09 0.55 1.41 1.01 0.00 0.00 176.35 176.99 2aby n HIS 64 N -4.09 -2.65 0.38 0.29 8.25 -1.26 -4.90 115.22 111.25 2aby n HIS 64 Ca 0.10 1.03 0.12 0.00 -0.26 0.00 0.00 57.72 58.71 2aby n HIS 64 Cb 0.59 -3.67 0.51 0.00 1.12 0.00 0.00 29.99 28.54 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 0.88 0.00 0.00 -0.41 0.13 -1.95 -2.76 132.00 127.89 2aby h PRO 65 Ca 0.00 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.01 2aby h PRO 65 Cb 0.93 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.05 2aby h PRO 65 CO 0.22 0.00 -0.56 1.49 -0.23 0.00 0.00 178.00 178.92 2aby h GLU 66 N 0.00 0.00 -0.10 0.86 4.81 -1.98 -3.05 114.58 115.12 2aby h GLU 66 Ca 0.00 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.14 2aby h GLU 66 Cb 0.37 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 2aby h GLU 66 CO 0.00 0.56 -0.35 0.93 -0.73 0.00 0.00 179.01 179.42 2aby h GLU 67 N 0.00 0.20 0.15 1.92 4.39 -1.84 -2.01 114.58 117.38 2aby h GLU 67 Ca -0.01 -0.08 -0.01 0.00 0.34 0.00 0.00 59.36 59.61 2aby h GLU 67 Cb 1.09 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.73 2aby h GLU 67 CO 0.07 0.53 -0.07 0.00 -1.16 0.00 0.00 179.01 178.38 2aby h ARG 68 N 0.17 -0.19 -0.33 2.33 3.08 -1.67 -1.44 114.38 116.33 2aby h ARG 68 Ca 0.02 0.01 -0.10 0.00 0.07 0.00 0.00 59.98 59.98 2aby h ARG 68 Cb 0.70 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.78 2aby h ARG 68 CO 0.05 -0.09 -0.23 1.57 -1.07 0.00 0.00 179.97 180.21 2aby h LYS 69 N -0.24 0.65 0.22 0.04 2.10 -1.63 -1.61 116.57 116.10 2aby h LYS 69 Ca -0.02 -0.25 -0.00 0.00 -2.00 0.00 0.00 60.65 58.38 2aby h LYS 69 Cb 0.19 -0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 31.47 2aby h LYS 69 CO 0.03 0.82 -0.18 -0.22 -2.00 0.00 0.00 179.45 177.90 2aby h LYS 70 N 0.57 -0.40 -0.26 0.07 3.64 -1.14 -1.62 116.57 117.43 2aby h LYS 70 Ca 0.08 0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.40 2aby h LYS 70 Cb 0.69 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.59 2aby h LYS 70 CO 0.05 -0.27 -0.20 -0.39 -2.27 0.00 0.00 179.45 176.37 2aby h VAL 71 N -0.42 1.25 -0.09 2.00 -1.51 -1.23 -1.14 116.25 115.11 2aby h VAL 71 Ca -0.01 -1.16 0.02 0.00 -1.23 0.00 0.00 66.70 64.32 2aby h VAL 71 Cb 0.38 1.28 -0.02 0.00 -2.13 0.00 0.00 31.29 30.79 2aby h VAL 71 CO -0.02 0.37 -0.04 -0.09 -1.23 0.00 0.00 177.57 176.56 2aby h ARG 72 N 0.42 -0.03 -0.15 5.19 9.65 -0.91 0.87 114.38 129.43 2aby h ARG 72 Ca 0.07 0.00 -0.18 0.00 -1.10 0.00 0.00 59.98 58.77 2aby h ARG 72 Cb 0.59 0.01 -0.00 0.00 -1.39 0.00 0.00 29.97 29.18 2aby h ARG 72 CO 0.04 -0.02 -0.64 1.05 2.80 0.00 0.00 179.97 183.20 2aby h GLU 73 N -0.03 0.54 0.27 0.20 4.11 -1.21 -0.88 114.58 117.57 2aby h GLU 73 Ca 0.05 -0.39 -0.01 0.00 0.07 0.00 0.00 59.36 59.08 2aby h GLU 73 Cb 0.10 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.42 2aby h GLU 73 CO -0.11 1.01 -0.13 -0.22 0.07 0.00 0.00 179.01 179.63 2aby h LYS 74 N 0.40 -0.35 -0.23 1.06 3.11 -0.89 -0.00 116.57 119.67 2aby h LYS 74 Ca -0.01 0.02 -0.15 0.00 -2.81 0.00 0.00 60.65 57.71 2aby h LYS 74 Cb 1.21 0.08 -0.01 0.00 -1.00 0.00 0.00 32.23 32.51 2aby h LYS 74 CO 0.12 -0.22 -0.45 0.27 -2.81 0.00 0.00 179.45 176.35 2aby h PHE 75 N -0.38 0.72 -0.01 1.91 -5.15 -0.88 -1.29 116.94 111.86 2aby h PHE 75 Ca -0.04 -0.23 0.00 0.00 -0.20 0.00 0.00 57.97 57.51 2aby h PHE 75 Cb 0.29 -0.15 -0.00 0.00 0.22 0.00 0.00 35.95 36.31 2aby h PHE 75 CO -0.05 0.94 0.01 0.22 -2.00 0.00 0.00 178.31 177.42 2aby h ASP 76 N 0.48 0.01 -0.04 -0.68 3.58 -0.99 -1.09 116.42 117.69 2aby h ASP 76 Ca 0.03 -0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.46 2aby h ASP 76 Cb 0.98 -0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.02 2aby h ASP 76 CO 0.09 0.01 -0.02 -0.33 -2.88 0.00 0.00 179.24 176.11 2aby h GLU 77 N 0.01 0.09 -0.99 0.28 4.39 -0.99 -1.32 114.58 116.05 2aby h GLU 77 Ca 0.00 -0.04 0.20 0.00 0.34 0.00 0.00 59.36 59.87 2aby h GLU 77 Cb 0.00 -0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 28.55 2aby h GLU 77 CO -0.00 0.49 0.62 -0.97 -1.16 0.00 0.00 179.01 177.98 2aby h ASN 78 N -0.32 0.67 0.09 1.42 -1.24 -1.18 0.32 115.58 115.33 2aby h ASN 78 Ca 0.01 0.08 -0.27 0.00 0.71 0.00 0.00 56.30 56.83 2aby h ASN 78 Cb 0.46 -0.03 0.02 0.00 0.73 0.00 0.00 38.32 39.50 2aby h ASN 78 CO 0.01 0.23 -1.07 0.28 -1.29 0.00 0.00 177.43 175.58 2aby h SER 79 N 0.64 0.85 0.63 1.15 0.02 -1.12 -3.10 113.55 112.62 2aby h SER 79 Ca 0.56 -0.70 0.00 0.00 -0.84 0.00 0.00 61.79 60.81 2aby h SER 79 Cb 1.03 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.31 2aby h SER 79 CO -0.33 1.50 0.00 -2.11 -1.14 0.00 0.00 176.83 174.75 2aby n ARG 80 N -3.82 0.06 -1.23 3.45 -4.01 -0.13 -4.88 116.66 106.10 2aby n ARG 80 Ca -0.11 0.14 -0.38 0.00 -1.04 0.00 0.00 57.85 56.46 2aby n ARG 80 Cb 0.90 -1.50 0.02 0.00 -3.04 0.00 0.00 32.46 28.84 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 -1.46 0.07 -0.42 2.89 2.81 0.94 -4.90 117.12 117.05 2aby n MET 81 Ca 0.06 0.03 -0.29 0.00 -1.81 0.00 0.00 57.70 55.69 2aby n MET 81 Cb 0.22 -1.13 0.27 0.00 -0.71 0.00 0.00 33.22 31.87 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 1.36 -3.08 -0.01 0.03 6.02 -1.26 -4.70 117.38 115.74 2aby n GLN 82 Ca 0.07 -0.88 -0.03 0.00 -0.01 0.00 0.00 57.00 56.15 2aby n GLN 82 Cb 0.49 -2.09 0.22 0.00 1.02 0.00 0.00 30.24 29.88 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 -2.93 0.59 -0.11 1.08 5.03 -1.98 -1.66 116.97 116.99 2aby h TYR 83 Ca -0.59 -0.10 0.04 0.00 2.58 0.00 0.00 58.73 60.66 2aby h TYR 83 Cb 1.34 -0.15 -0.05 0.00 1.55 0.00 0.00 36.73 39.42 2aby h TYR 83 CO -0.54 0.67 -0.18 0.77 -1.32 0.00 0.00 178.16 177.55 2aby h SER 84 N 0.49 -0.56 -0.02 -2.11 0.02 -1.98 0.34 113.55 109.73 2aby h SER 84 Ca 0.09 0.10 -0.16 0.00 -0.84 0.00 0.00 61.79 60.97 2aby h SER 84 Cb 0.55 0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.34 2aby h SER 84 CO 0.03 -0.23 -0.54 -0.08 -1.14 0.00 0.00 176.83 174.87 2aby h GLU 85 N -0.24 0.60 -0.85 3.45 4.57 -1.89 0.18 114.58 120.39 2aby h GLU 85 Ca 0.09 -0.37 -0.03 0.00 -1.18 0.00 0.00 59.36 57.87 2aby h GLU 85 Cb 0.37 0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 28.96 2aby h GLU 85 CO -0.25 0.98 0.42 1.25 -1.18 0.00 0.00 179.01 180.23 2aby h LEU 86 N 0.46 1.11 0.04 1.64 7.12 -0.76 0.25 115.31 125.17 2aby h LEU 86 Ca 0.01 -0.13 -0.27 0.00 0.13 0.00 0.00 57.88 57.63 2aby h LEU 86 Cb 1.09 -0.28 -0.03 0.00 -0.53 0.00 0.00 40.66 40.91 2aby h LEU 86 CO 0.10 0.92 -1.37 0.24 -0.13 0.00 0.00 178.44 178.21 2aby h MET 87 N 1.21 0.09 -0.12 1.25 2.86 -0.28 -3.18 114.93 116.77 2aby h MET 87 Ca 0.29 -0.16 -0.05 0.00 -2.06 0.00 0.00 59.70 57.73 2aby h MET 87 Cb 0.10 0.06 -0.00 0.00 0.06 0.00 0.00 31.60 31.82 2aby h MET 87 CO -0.04 0.92 -0.11 1.15 1.06 0.00 0.00 176.91 179.89 2aby h THR 88 N 0.03 1.35 0.00 2.22 2.02 -0.41 0.34 112.91 118.45 2aby h THR 88 Ca -0.16 -1.25 0.00 0.00 0.77 0.00 0.00 66.41 65.77 2aby h THR 88 Cb 1.92 1.92 0.00 0.00 -1.74 0.00 0.00 68.15 70.25 2aby h THR 88 CO 0.13 0.36 0.00 1.17 0.37 0.00 0.00 175.52 177.55 2aby n LYS 89 N -4.63 0.27 -0.10 6.66 3.00 0.85 0.56 118.16 124.77 2aby n LYS 89 Ca -0.07 0.11 -0.17 0.00 -0.00 0.00 0.00 58.31 58.18 2aby n LYS 89 Cb 0.33 -1.50 -0.09 0.00 0.00 0.00 0.00 35.03 33.77 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 -1.28 0.00 -0.09 5.64 9.36 -1.08 -4.11 117.16 125.60 2aby n TYR 90 Ca 0.09 0.00 -0.23 0.00 3.32 0.00 0.00 57.90 61.08 2aby n TYR 90 Cb 0.15 -0.78 -0.12 0.00 -0.63 0.00 0.00 39.34 37.97 2aby n TYR 90 CO 0.00 0.00 0.00 1.58 0.22 0.00 0.00 176.86 178.66 2aby n HIS 91 N -3.42 0.78 0.86 2.98 -0.00 0.12 -4.15 115.22 112.39 2aby n HIS 91 Ca -0.38 0.28 0.10 0.00 0.46 0.00 0.00 57.72 58.18 2aby n HIS 91 Cb 0.85 -1.09 0.49 0.00 -0.12 0.00 0.00 29.99 30.12 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 -4.14 0.00 0.28 0.26 2.03 0.19 -3.53 116.55 111.64 2aby n ASP 92 Ca -0.38 0.22 -0.16 0.00 0.52 0.00 0.00 54.79 54.99 2aby n ASP 92 Cb 0.82 -0.38 -0.08 0.00 -0.72 0.00 0.00 41.12 40.75 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 0.00 -0.57 -1.73 -2.67 6.46 -1.61 -2.31 115.31 112.88 2aby h LEU 93 Ca 0.00 -0.01 0.24 0.00 -0.12 0.00 0.00 57.88 57.99 2aby h LEU 93 Cb 0.27 0.15 -0.03 0.00 -0.73 0.00 0.00 40.66 40.31 2aby h LEU 93 CO 0.00 -0.36 0.80 0.07 -0.62 0.00 0.00 178.44 178.33 2aby h LYS 94 N -0.75 0.00 -0.96 1.25 2.10 -1.53 0.36 116.57 117.04 2aby h LYS 94 Ca -0.07 0.00 0.22 0.00 -2.00 0.00 0.00 60.65 58.81 2aby h LYS 94 Cb 0.55 0.00 -0.08 0.00 -0.90 0.00 0.00 32.23 31.80 2aby h LYS 94 CO 0.11 0.00 0.63 -0.22 -2.00 0.00 0.00 179.45 177.97 2aby h LYS 95 N 0.00 0.41 0.00 0.07 1.63 -1.61 -2.64 116.57 114.43 2aby h LYS 95 Ca 0.40 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 60.17 2aby h LYS 95 Cb 2.00 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 33.53 2aby h LYS 95 CO -0.00 0.27 0.00 1.04 -3.45 0.00 0.00 179.45 177.31 2aby n GLN 96 N -4.56 1.71 0.00 1.90 1.13 0.77 -5.02 117.38 113.30 2aby n GLN 96 Ca 0.22 -0.21 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 2aby n GLN 96 Cb 0.76 -0.66 0.00 0.00 0.11 0.00 0.00 30.24 30.45 2aby n GLN 96 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2aby n GLY 97 N 0.30 -0.24 3.23 1.08 0.00 0.92 -5.14 105.19 105.34 2aby n GLY 97 Ca 0.00 0.79 -0.31 0.00 0.00 0.00 0.00 46.02 46.50 2aby n GLY 97 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2aby s LYS 98 N 0.00 -3.49 0.40 1.61 -2.85 -1.25 -2.51 119.74 111.65 2aby s LYS 98 Ca 0.00 0.08 0.06 0.00 -1.00 0.00 0.00 55.97 55.11 2aby s LYS 98 Cb 0.00 -1.32 -0.07 0.00 -2.06 0.00 0.00 37.83 34.38 2aby s LYS 98 CO 0.00 -5.23 0.02 0.96 0.10 0.00 0.00 175.35 171.20 2aby s ILE 99 N -2.13 1.82 -0.02 3.79 -4.36 -1.26 -4.78 121.20 114.27 2aby s ILE 99 Ca 0.68 -2.00 0.06 0.00 -0.26 0.00 0.00 60.65 59.13 2aby s ILE 99 Cb -0.12 -2.93 -0.01 0.00 1.25 0.00 0.00 42.46 40.64 2aby s ILE 99 CO 0.57 0.00 -0.19 -0.54 0.24 0.00 0.00 174.94 175.02 2aby s LYS 100 N -3.75 1.57 -0.74 0.37 1.02 -1.26 -5.08 119.74 111.87 2aby s LYS 100 Ca 0.34 -0.68 -0.02 0.00 0.02 0.00 0.00 55.97 55.63 2aby s LYS 100 Cb 0.09 -1.50 0.19 0.00 -0.52 0.00 0.00 37.83 36.09 2aby s LYS 100 CO 0.17 0.40 0.58 0.34 -0.92 0.00 0.00 175.35 175.92 2aby s ASP 101 N -0.41 5.50 0.64 2.83 2.15 -1.26 -4.73 116.67 121.39 2aby s ASP 101 Ca 0.07 -3.27 -0.14 0.00 0.43 0.00 0.00 52.55 49.63 2aby s ASP 101 Cb -0.08 -1.86 -0.01 0.00 -0.30 0.00 0.00 42.92 40.67 2aby s ASP 101 CO -0.01 -0.27 1.08 -0.13 -0.17 0.00 0.00 175.17 175.67 2aby s ARG 102 N -0.68 3.00 0.64 4.34 0.52 -1.26 -5.02 118.95 120.49 2aby s ARG 102 Ca 0.22 1.24 -0.16 0.00 -0.52 0.00 0.00 55.73 56.51 2aby s ARG 102 Cb -0.14 -1.99 -0.01 0.00 0.52 0.00 0.00 34.95 33.33 2aby s ARG 102 CO -0.08 -1.07 1.11 -1.25 0.02 0.00 0.00 175.30 174.03 2aby s PRO 103 N -4.25 2.90 -0.03 3.54 0.04 -1.26 -4.98 135.00 130.96 2aby s PRO 103 Ca 0.64 1.42 -0.17 0.00 0.04 0.00 0.00 61.00 62.93 2aby s PRO 103 Cb -0.18 -1.96 -0.05 0.00 0.04 0.00 0.00 34.50 32.35 2aby s PRO 103 CO 0.42 -1.17 0.47 0.54 0.04 0.00 0.00 177.00 177.30 2aby s VAL 104 N -2.24 5.03 0.07 -0.36 0.11 -1.26 -4.67 120.40 117.07 2aby s VAL 104 Ca 0.68 0.97 -0.11 0.00 -2.93 0.00 0.00 61.98 60.59 2aby s VAL 104 Cb -0.21 -3.80 -0.06 0.00 -1.53 0.00 0.00 36.38 30.79 2aby s VAL 104 CO 0.39 0.47 0.41 -0.54 -3.33 0.00 0.00 175.10 172.51 2aby s LYS 105 N -0.41 3.81 0.08 1.54 3.01 -0.80 -4.86 119.74 122.12 2aby s LYS 105 Ca 0.26 0.25 -0.24 0.00 -1.01 0.00 0.00 55.97 55.22 2aby s LYS 105 Cb -0.17 -3.03 -0.06 0.00 -1.01 0.00 0.00 37.83 33.55 2aby s LYS 105 CO 0.13 0.58 0.75 -1.21 0.51 0.00 0.00 175.35 176.11 2aby s GLU 106 N -1.75 4.49 -0.02 1.68 2.02 -1.26 0.50 118.70 124.36 2aby s GLU 106 Ca 0.32 1.06 0.07 0.00 0.02 0.00 0.00 54.97 56.43 2aby s GLU 106 Cb -0.15 -3.32 -0.02 0.00 0.10 0.00 0.00 34.13 30.75 2aby s GLU 106 CO 0.17 0.41 -0.24 0.08 0.02 0.00 0.00 175.26 175.70 2aby s VAL 107 N -0.49 1.86 0.62 2.63 1.01 -0.44 -4.88 120.40 120.71 2aby s VAL 107 Ca 0.37 -1.01 0.05 0.00 0.00 0.00 0.00 61.98 61.39 2aby s VAL 107 Cb -0.21 -1.54 0.09 0.00 0.00 0.00 0.00 36.38 34.72 2aby s VAL 107 CO 0.23 0.53 0.85 -1.00 0.00 0.00 0.00 175.10 175.71 2aby s HIS 108 N -0.54 1.62 -0.23 5.22 3.76 -1.26 -3.08 115.29 120.77 2aby s HIS 108 Ca 0.09 -0.52 -0.29 0.00 -0.15 0.00 0.00 55.06 54.19 2aby s HIS 108 Cb -0.09 -2.52 0.00 0.00 1.11 0.00 0.00 32.58 31.08 2aby s HIS 108 CO -0.01 -1.30 1.14 -1.21 -0.85 0.00 0.00 174.74 172.51 2aby s GLU 109 N -4.82 4.18 0.00 1.40 8.01 -1.26 -4.73 118.70 121.48 2aby s GLU 109 Ca 0.63 1.38 0.00 0.00 0.01 0.00 0.00 54.97 56.99 2aby s GLU 109 Cb -0.06 -3.72 0.00 0.00 -4.31 0.00 0.00 34.13 26.04 2aby s GLU 109 CO 0.40 -0.75 0.00 0.39 0.01 0.00 0.00 175.26 175.31 2aby n GLU 110 N 6.61 -1.22 -3.81 1.61 1.02 -1.26 -5.09 120.64 118.50 2aby n GLU 110 Ca 0.13 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.97 2aby n GLU 110 Cb 0.46 0.00 -0.13 0.00 -0.02 0.00 0.00 31.44 31.75 2aby n GLU 110 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 2aby s TYR 111 N -3.00 2.57 0.00 -0.32 2.02 -1.26 -4.86 117.35 112.51 2aby s TYR 111 Ca 0.00 -2.81 0.00 0.00 -0.37 0.00 0.00 57.07 53.89 2aby s TYR 111 Cb 0.00 -2.29 0.00 0.00 -0.40 0.00 0.00 41.96 39.27 2aby s TYR 111 CO 0.00 -0.74 0.00 -0.25 -1.57 0.00 0.00 175.55 172.99 2aby n ASP 112 N 3.17 4.01 -3.06 2.29 8.00 -1.26 -5.07 116.55 124.63 2aby n ASP 112 Ca 0.09 0.00 -0.07 0.00 0.71 0.00 0.00 54.79 55.52 2aby n ASP 112 Cb 0.34 0.16 0.07 0.00 -0.02 0.00 0.00 41.12 41.67 2aby n ASP 112 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2aby n LEU 113 N -2.24 0.00 -0.32 0.64 4.32 -1.26 -4.87 117.00 113.27 2aby n LEU 113 Ca 0.00 -0.21 -0.02 0.00 -0.02 0.00 0.00 56.01 55.76 2aby n LEU 113 Cb 0.46 -0.25 0.11 0.00 -1.62 0.00 0.00 43.42 42.12 2aby n LEU 113 CO 0.00 -1.82 1.23 -0.50 -1.22 0.00 0.00 177.39 175.08 2aby h TRP 114 N -2.37 1.07 -6.10 -1.77 -0.00 -1.99 -3.47 115.95 101.32 2aby h TRP 114 Ca -0.10 0.03 -0.26 0.00 -0.00 0.00 0.00 58.89 58.56 2aby h TRP 114 Cb 0.32 -0.36 0.00 0.00 -0.00 0.00 0.00 29.16 29.13 2aby h TRP 114 CO 0.00 0.63 -0.71 0.39 -0.00 0.00 0.00 178.44 178.75 2aby n GLU 115 N -4.52 -1.67 0.01 0.49 -0.58 -1.26 -4.80 120.64 108.31 2aby n GLU 115 Ca 0.11 1.30 0.00 0.00 -0.42 0.00 0.00 57.16 58.15 2aby n GLU 115 Cb 0.08 -3.76 0.00 0.00 -0.57 0.00 0.00 31.44 27.19 2aby n GLU 115 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2aby n ASP 116 N -1.59 -0.17 0.14 1.62 2.03 -1.26 -4.91 116.55 112.41 2aby n ASP 116 Ca -0.12 0.46 -0.06 0.00 0.52 0.00 0.00 54.79 55.59 2aby n ASP 116 Cb 0.60 0.59 -0.03 0.00 -0.72 0.00 0.00 41.12 41.56 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 -0.37 0.00 -0.67 0.13 -1.90 -3.33 132.00 125.86 2aby h PRO 117 Ca 0.00 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 2aby h PRO 117 Cb 0.00 0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.21 2aby h PRO 117 CO 0.00 -0.25 -0.08 0.44 -0.23 0.00 0.00 178.00 177.89 2aby n ILE 118 N -3.76 0.43 0.25 -3.56 -0.00 -1.25 -3.34 119.36 108.13 2aby n ILE 118 Ca -0.05 -0.22 0.15 0.00 -0.00 0.00 0.00 62.75 62.64 2aby n ILE 118 Cb 0.15 -0.50 0.85 0.00 -0.00 0.00 0.00 39.64 40.14 2aby n ILE 118 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.55 176.30 2aby h TRP 119 N 0.00 0.00 0.00 4.28 -0.00 -1.91 -3.36 115.95 114.95 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 0.68 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.84 2aby h TRP 119 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 178.44 179.38 2aby n GLN 120 N -3.91 0.00 -4.65 2.65 7.27 -1.23 -4.94 117.38 112.57 2aby n GLN 120 Ca -0.01 0.00 -0.29 0.00 0.07 0.00 0.00 57.00 56.77 2aby n GLN 120 Cb 0.20 -0.10 -0.09 0.00 2.41 0.00 0.00 30.24 32.67 2aby n GLN 120 CO 0.00 0.00 0.00 -0.47 0.07 0.00 0.00 177.06 176.66 2aby s TYR 121 N -0.48 1.99 -1.19 3.69 5.04 -1.21 -5.15 117.35 120.03 2aby s TYR 121 Ca 0.00 -0.97 0.00 0.00 -2.44 0.00 0.00 57.07 53.66 2aby s TYR 121 Cb 0.00 -1.51 0.00 0.00 0.35 0.00 0.00 41.96 40.80 2aby s TYR 121 CO 0.00 0.13 0.30 0.44 -1.34 0.00 0.00 175.55 175.08