#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 -1.40 -0.30 0.03 6.02 -1.26 -4.85 117.38 115.62 2aby n GLN 2 Ca 0.00 0.65 0.08 0.00 -0.01 0.00 0.00 57.00 57.72 2aby n GLN 2 Cb 0.00 -4.41 0.23 0.00 1.02 0.00 0.00 30.24 27.08 2aby n GLN 2 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 177.06 177.62 2aby h LYS 3 N -1.40 0.58 0.00 -1.09 2.10 -2.02 -3.46 116.57 111.28 2aby h LYS 3 Ca -0.58 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.03 2aby h LYS 3 Cb 1.32 -0.13 0.00 0.00 -0.90 0.00 0.00 32.23 32.52 2aby h LYS 3 CO 0.45 0.38 0.00 0.41 -2.00 0.00 0.00 179.45 178.69 2aby n GLY 4 N -1.33 0.82 3.22 0.07 0.00 -1.26 -5.01 105.19 101.70 2aby n GLY 4 Ca 0.17 -0.55 -0.13 0.00 0.00 0.00 0.00 46.02 45.52 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 2.51 -0.16 0.99 2.01 -1.26 -2.44 118.68 120.33 2aby s LEU 5 Ca 0.00 -0.99 -0.06 0.00 0.01 0.00 0.00 54.13 53.10 2aby s LEU 5 Cb 0.00 -0.26 -0.03 0.00 0.01 0.00 0.00 46.19 45.90 2aby s LEU 5 CO 0.00 -0.36 0.02 -1.61 1.01 0.00 0.00 176.35 175.41 2aby s GLU 6 N -3.66 3.78 -0.00 1.70 2.02 -1.26 -3.57 118.70 117.70 2aby s GLU 6 Ca 0.14 -0.41 -0.03 0.00 0.02 0.00 0.00 54.97 54.69 2aby s GLU 6 Cb 0.03 -3.06 -0.01 0.00 0.10 0.00 0.00 34.13 31.19 2aby s GLU 6 CO -0.01 0.30 0.05 0.96 0.02 0.00 0.00 175.26 176.59 2aby s ILE 7 N 0.24 0.07 0.04 -1.63 -0.00 0.14 -4.98 121.20 115.09 2aby s ILE 7 Ca 0.01 -0.56 0.08 0.00 -0.00 0.00 0.00 60.65 60.18 2aby s ILE 7 Cb -0.13 -0.27 -0.03 0.00 -0.00 0.00 0.00 42.46 42.04 2aby s ILE 7 CO 0.01 -0.31 -0.22 0.00 -0.00 0.00 0.00 174.94 174.42 2aby s ALA 8 N -0.98 1.91 -0.02 2.27 0.00 -1.26 -1.38 121.76 122.30 2aby s ALA 8 Ca -0.11 -1.12 0.02 0.00 0.00 0.00 0.00 51.96 50.75 2aby s ALA 8 Cb -0.06 -0.38 0.00 0.00 0.00 0.00 0.00 23.12 22.68 2aby s ALA 8 CO 0.00 0.44 -0.06 0.12 0.00 0.00 0.00 175.76 176.25 2aby s PHE 9 N -0.80 0.67 0.26 0.00 5.36 -0.59 -4.65 117.98 118.23 2aby s PHE 9 Ca 0.09 -0.14 0.07 0.00 -0.96 0.00 0.00 56.93 55.98 2aby s PHE 9 Cb -0.09 -0.49 -0.04 0.00 -0.34 0.00 0.00 43.02 42.07 2aby s PHE 9 CO 0.02 -0.06 0.20 1.14 -1.46 0.00 0.00 175.22 175.06 2aby s GLN 10 N 0.14 2.88 -0.18 10.12 -2.07 -1.26 -0.45 119.66 128.84 2aby s GLN 10 Ca -0.02 -1.10 -0.27 0.00 -1.82 0.00 0.00 55.36 52.15 2aby s GLN 10 Cb -0.06 -2.54 0.07 0.00 -1.09 0.00 0.00 33.01 29.39 2aby s GLN 10 CO -0.00 0.36 0.70 -0.08 -1.32 0.00 0.00 175.29 174.96 2aby s THR 11 N -2.16 0.00 0.00 3.63 -1.32 0.92 -4.83 115.64 111.88 2aby s THR 11 Ca 0.34 -0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.82 2aby s THR 11 Cb -0.08 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.92 2aby s THR 11 CO 0.25 -0.00 0.00 -0.38 -2.21 0.00 0.00 174.62 172.28 2aby n ILE 12 N 1.97 0.00 -2.48 5.08 -0.00 -1.26 -0.06 119.36 122.60 2aby n ILE 12 Ca -0.16 0.00 -0.33 0.00 -0.00 0.00 0.00 62.75 62.26 2aby n ILE 12 Cb 0.56 -0.43 -0.03 0.00 -0.00 0.00 0.00 39.64 39.73 2aby n ILE 12 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.55 176.75 2aby s ASN 13 N -4.72 6.39 0.63 4.38 0.01 -1.26 -4.89 114.94 115.48 2aby s ASN 13 Ca 0.00 1.80 0.40 0.00 -0.71 0.00 0.00 52.86 54.36 2aby s ASN 13 Cb 0.00 -2.54 2.18 0.00 0.41 0.00 0.00 41.25 41.30 2aby s ASN 13 CO 0.00 -0.74 2.23 1.23 -1.51 0.00 0.00 177.10 178.31 2aby h GLY 14 N 1.31 0.00 2.00 0.66 0.00 -2.01 -0.28 103.07 104.76 2aby h GLY 14 Ca -0.48 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 46.76 2aby h GLY 14 CO 0.59 0.00 -0.39 1.41 0.00 0.00 0.00 176.54 178.15 2aby h LEU 15 N 0.00 0.00 0.04 3.11 3.38 -2.03 -3.00 115.31 116.81 2aby h LEU 15 Ca 0.00 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.72 2aby h LEU 15 Cb 0.09 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 2aby h LEU 15 CO 0.00 0.39 -1.26 0.44 0.09 0.00 0.00 178.44 178.11 2aby h ASP 16 N 0.00 0.13 -0.62 -0.43 3.32 -1.42 -3.34 116.42 114.06 2aby h ASP 16 Ca -0.00 -0.16 0.12 0.00 0.02 0.00 0.00 57.03 57.00 2aby h ASP 16 Cb 0.84 -0.04 -0.09 0.00 0.22 0.00 0.00 39.33 40.26 2aby h ASP 16 CO 0.05 1.13 0.14 -0.08 -1.72 0.00 0.00 179.24 178.76 2aby h GLU 17 N 0.02 0.26 -0.91 3.56 4.57 -1.44 0.63 114.58 121.27 2aby h GLU 17 Ca -0.12 -0.02 0.15 0.00 -1.18 0.00 0.00 59.36 58.19 2aby h GLU 17 Cb 1.89 -0.06 -0.07 0.00 -0.16 0.00 0.00 28.75 30.34 2aby h GLU 17 CO 0.14 0.17 0.59 0.66 -1.18 0.00 0.00 179.01 179.38 2aby h SER 18 N 0.27 0.68 -0.26 1.04 4.64 -1.68 -0.59 113.55 117.66 2aby h SER 18 Ca 0.33 0.05 -0.20 0.00 -0.47 0.00 0.00 61.79 61.50 2aby h SER 18 Cb 0.50 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 2aby h SER 18 CO -0.42 0.34 -0.61 0.25 -0.87 0.00 0.00 176.83 175.52 2aby h LEU 19 N 0.72 0.98 0.18 5.97 5.85 -1.09 -0.62 115.31 127.29 2aby h LEU 19 Ca 0.46 -0.56 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 2aby h LEU 19 Cb 0.73 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.47 2aby h LEU 19 CO -0.22 1.36 -0.11 0.58 -0.34 0.00 0.00 178.44 179.71 2aby h VAL 20 N 0.64 0.77 -0.14 1.05 2.07 -0.03 0.29 116.25 120.90 2aby h VAL 20 Ca -0.00 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 2aby h VAL 20 Cb 1.23 0.77 -0.00 0.00 -1.52 0.00 0.00 31.29 31.76 2aby h VAL 20 CO 0.13 0.00 -0.06 1.56 0.02 0.00 0.00 177.57 179.23 2aby h GLN 21 N -0.28 0.29 0.08 1.57 4.20 -1.32 -0.42 115.11 119.24 2aby h GLN 21 Ca -0.02 -0.12 0.01 0.00 0.06 0.00 0.00 58.65 58.58 2aby h GLN 21 Cb 0.23 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 2aby h GLN 21 CO 0.02 0.61 -0.16 0.00 -0.67 0.00 0.00 178.83 178.63 2aby h ALA 22 N 0.68 -0.26 -0.27 3.87 0.00 -1.04 0.23 119.26 122.46 2aby h ALA 22 Ca 0.03 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 2aby h ALA 22 Cb 0.51 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 2aby h ALA 22 CO 0.02 -0.68 -0.07 1.37 0.00 0.00 0.00 179.25 179.89 2aby h LEU 23 N -0.31 0.41 -0.27 0.00 8.10 -0.45 -1.65 115.31 121.14 2aby h LEU 23 Ca 0.03 -0.09 -0.03 0.00 0.11 0.00 0.00 57.88 57.90 2aby h LEU 23 Cb 0.33 -0.11 -0.01 0.00 -0.44 0.00 0.00 40.66 40.43 2aby h LEU 23 CO -0.09 0.53 0.05 0.00 -4.11 0.00 0.00 178.44 174.81 2aby h ALA 24 N 1.52 0.36 0.01 0.17 0.00 -0.49 0.24 119.26 121.07 2aby h ALA 24 Ca 0.08 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 2aby h ALA 24 Cb 0.38 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2aby h ALA 24 CO 0.02 0.04 -0.00 0.78 0.00 0.00 0.00 179.25 180.08 2aby h GLY 25 N 0.26 -0.01 1.39 0.00 0.00 -0.75 -1.61 103.07 102.36 2aby h GLY 25 Ca 0.08 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.39 2aby h GLY 25 CO 0.00 -0.00 0.25 -0.24 0.00 0.00 0.00 176.54 176.55 2aby h VAL 26 N -0.37 1.19 0.05 4.60 3.04 -1.34 -1.39 116.25 122.03 2aby h VAL 26 Ca -0.00 -0.56 -0.00 0.00 -1.01 0.00 0.00 66.70 65.13 2aby h VAL 26 Cb 0.36 0.50 0.00 0.00 -2.01 0.00 0.00 31.29 30.14 2aby h VAL 26 CO 0.00 0.23 -0.02 0.74 -1.01 0.00 0.00 177.57 177.50 2aby h THR 27 N 0.78 1.17 -0.98 3.17 2.02 -0.90 0.25 112.91 118.43 2aby h THR 27 Ca 0.19 -0.74 0.02 0.00 0.77 0.00 0.00 66.41 66.65 2aby h THR 27 Cb 0.11 1.66 -0.05 0.00 -1.74 0.00 0.00 68.15 68.13 2aby h THR 27 CO -0.02 0.19 0.65 0.00 0.37 0.00 0.00 175.52 176.70 2aby h ALA 28 N 0.53 1.26 -0.01 6.16 0.00 -1.12 0.30 119.26 126.38 2aby h ALA 28 Ca -0.01 -0.06 -0.17 0.00 0.00 0.00 0.00 54.91 54.67 2aby h ALA 28 Cb 0.36 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2aby h ALA 28 CO 0.01 0.60 -0.77 0.77 0.00 0.00 0.00 179.25 179.86 2aby h SER 29 N 1.30 0.16 1.44 0.00 0.02 -1.21 -3.04 113.55 112.23 2aby h SER 29 Ca 0.37 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 2aby h SER 29 Cb -0.10 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.39 2aby h SER 29 CO -0.09 0.87 -0.11 0.44 -1.14 0.00 0.00 176.83 176.80 2aby h ASP 30 N 0.08 0.00 -2.73 3.07 5.19 0.18 -3.37 116.42 118.84 2aby h ASP 30 Ca -0.02 -0.03 -0.69 0.00 -0.62 0.00 0.00 57.03 55.67 2aby h ASP 30 Cb 1.35 0.00 -0.36 0.00 0.18 0.00 0.00 39.33 40.50 2aby h ASP 30 CO 0.11 0.02 -0.08 0.49 -3.12 0.00 0.00 179.24 176.66 2aby n PHE 31 N -2.34 3.41 0.35 4.55 3.01 0.10 -4.27 117.46 122.27 2aby n PHE 31 Ca 0.05 -3.73 0.14 0.00 1.01 0.00 0.00 57.45 54.92 2aby n PHE 31 Cb 0.44 -0.91 0.58 0.00 -0.01 0.00 0.00 39.48 39.58 2aby n PHE 31 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 2aby h PRO 32 N 5.06 0.00 0.00 -1.08 0.13 -1.73 -2.93 132.00 131.44 2aby h PRO 32 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 2aby h PRO 32 Cb 0.69 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.82 2aby h PRO 32 CO 0.97 0.00 0.03 -0.44 -0.23 0.00 0.00 178.00 178.33 2aby h ASP 33 N 0.00 0.00 -0.96 1.44 3.32 -1.92 -3.45 116.42 114.86 2aby h ASP 33 Ca 0.00 0.00 -0.39 0.00 0.02 0.00 0.00 57.03 56.66 2aby h ASP 33 Cb 0.41 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 39.80 2aby h ASP 33 CO 0.00 0.00 -0.36 0.18 -1.72 0.00 0.00 179.24 177.34 2aby n LEU 34 N -2.92 -1.34 -1.13 1.55 4.77 -1.11 -4.80 117.00 112.03 2aby n LEU 34 Ca -0.03 0.48 0.12 0.00 -0.03 0.00 0.00 56.01 56.55 2aby n LEU 34 Cb 0.09 -2.80 0.21 0.00 -2.33 0.00 0.00 43.42 38.59 2aby n LEU 34 CO 0.18 -1.07 0.70 0.47 -1.33 0.00 0.00 177.39 176.34 2aby n ASP 35 N -1.31 3.38 -4.73 -1.43 8.00 -1.26 -4.95 116.55 114.25 2aby n ASP 35 Ca -0.19 -1.99 -0.42 0.00 0.71 0.00 0.00 54.79 52.91 2aby n ASP 35 Cb 0.66 -0.23 -0.03 0.00 -0.02 0.00 0.00 41.12 41.50 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 3.60 -0.65 0.53 2.07 -1.26 -4.32 121.20 119.62 2aby s ILE 36 Ca 0.38 1.26 0.06 0.00 -1.41 0.00 0.00 60.65 60.94 2aby s ILE 36 Cb 0.23 -3.81 0.23 0.00 0.13 0.00 0.00 42.46 39.24 2aby s ILE 36 CO 0.32 0.16 0.69 0.29 -1.91 0.00 0.00 174.94 174.48 2aby n LYS 37 N 3.06 2.36 -4.66 3.50 4.76 -0.31 -5.04 118.16 121.84 2aby n LYS 37 Ca 0.07 -4.62 -0.29 0.00 -2.87 0.00 0.00 58.31 50.59 2aby n LYS 37 Cb 0.45 -2.26 -0.09 0.00 -1.84 0.00 0.00 35.03 31.29 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 -2.23 2.04 0.00 2.13 1.13 -1.26 -1.21 117.35 117.94 2aby s TYR 38 Ca 0.36 -0.93 0.00 0.00 -1.41 0.00 0.00 57.07 55.09 2aby s TYR 38 Cb 0.10 -1.56 0.00 0.00 -1.10 0.00 0.00 41.96 39.41 2aby s TYR 38 CO -0.05 0.19 0.00 0.09 -2.51 0.00 0.00 175.55 173.27 2aby n ASN 39 N -1.14 0.00 -4.01 -0.18 3.02 0.21 -4.97 115.26 108.19 2aby n ASN 39 Ca -0.12 0.00 -0.27 0.00 -0.03 0.00 0.00 54.58 54.16 2aby n ASN 39 Cb 0.67 0.00 -0.17 0.00 -0.61 0.00 0.00 39.78 39.67 2aby n ASN 39 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 2aby s ILE 40 N -2.00 1.33 0.06 2.41 -4.36 -1.26 -1.37 121.20 116.01 2aby s ILE 40 Ca 0.00 -0.53 0.05 0.00 -0.26 0.00 0.00 60.65 59.91 2aby s ILE 40 Cb 0.00 -1.24 -0.03 0.00 1.25 0.00 0.00 42.46 42.44 2aby s ILE 40 CO 0.00 0.41 -0.15 0.72 0.24 0.00 0.00 174.94 176.16 2aby s PHE 41 N 1.12 1.29 -0.17 1.37 -0.12 -0.60 -1.84 117.98 119.03 2aby s PHE 41 Ca -0.05 -0.41 -0.06 0.00 -0.05 0.00 0.00 56.93 56.36 2aby s PHE 41 Cb -0.14 -0.74 -0.04 0.00 -0.63 0.00 0.00 43.02 41.47 2aby s PHE 41 CO -0.03 0.06 0.04 -1.17 -0.05 0.00 0.00 175.22 174.07 2aby s LEU 42 N -1.51 3.69 -0.06 -1.99 2.96 0.19 -1.61 118.68 120.35 2aby s LEU 42 Ca 0.00 0.04 0.01 0.00 -0.22 0.00 0.00 54.13 53.97 2aby s LEU 42 Cb -0.09 -1.92 -0.03 0.00 0.50 0.00 0.00 46.19 44.65 2aby s LEU 42 CO 0.02 0.18 -0.07 0.68 -1.32 0.00 0.00 176.35 175.84 2aby s VAL 43 N 0.32 3.66 -0.14 1.68 -7.23 -0.39 -0.07 120.40 118.23 2aby s VAL 43 Ca 0.02 -0.53 -0.02 0.00 -1.81 0.00 0.00 61.98 59.64 2aby s VAL 43 Cb -0.13 -2.50 0.04 0.00 0.56 0.00 0.00 36.38 34.35 2aby s VAL 43 CO 0.01 0.58 -0.01 -0.62 -0.31 0.00 0.00 175.10 174.75 2aby s ASP 44 N -0.87 2.37 -0.15 4.85 2.15 -1.25 -0.30 116.67 123.46 2aby s ASP 44 Ca 0.13 -0.48 -0.15 0.00 0.43 0.00 0.00 52.55 52.47 2aby s ASP 44 Cb -0.11 -0.63 0.04 0.00 -0.30 0.00 0.00 42.92 41.92 2aby s ASP 44 CO 0.02 -0.22 0.42 -0.22 -0.17 0.00 0.00 175.17 175.00 2aby s LEU 45 N 1.84 0.38 -0.98 -1.34 0.20 0.93 -4.89 118.68 114.82 2aby s LEU 45 Ca 0.02 0.80 -0.06 0.00 0.69 0.00 0.00 54.13 55.58 2aby s LEU 45 Cb -0.15 1.47 0.01 0.00 -0.43 0.00 0.00 46.19 47.09 2aby s LEU 45 CO -0.07 -0.18 0.86 -1.22 -0.29 0.00 0.00 176.35 175.45 2aby n TYR 46 N 2.70 -2.08 -1.05 5.38 4.01 -1.26 -2.01 117.16 122.85 2aby n TYR 46 Ca -0.14 0.74 -0.02 0.00 -0.16 0.00 0.00 57.90 58.32 2aby n TYR 46 Cb 0.57 -3.97 -0.01 0.00 -0.31 0.00 0.00 39.34 35.62 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 -1.58 0.26 3.11 2.72 0.00 -1.26 -4.95 105.19 103.48 2aby n GLY 47 Ca -0.00 -0.02 -0.27 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.79 1.97 -0.09 1.61 -0.21 -0.85 -5.13 119.66 115.16 2aby s GLN 48 Ca 0.00 -0.58 0.04 0.00 0.02 0.00 0.00 55.36 54.84 2aby s GLN 48 Cb 0.00 -1.62 -0.00 0.00 1.00 0.00 0.00 33.01 32.38 2aby s GLN 48 CO 0.00 0.15 -0.24 -1.59 -2.12 0.00 0.00 175.29 171.49 2aby s LYS 49 N 0.32 2.99 0.24 2.91 0.00 -1.26 -0.05 119.74 124.89 2aby s LYS 49 Ca -0.10 -0.88 0.05 0.00 0.00 0.00 0.00 55.97 55.04 2aby s LYS 49 Cb -0.14 -2.29 -0.05 0.00 0.00 0.00 0.00 37.83 35.35 2aby s LYS 49 CO 0.04 0.21 -0.03 0.71 0.00 0.00 0.00 175.35 176.28 2aby s TYR 50 N 0.27 1.66 -0.18 1.78 2.02 0.59 -4.98 117.35 118.51 2aby s TYR 50 Ca -0.17 -0.83 -0.08 0.00 -0.37 0.00 0.00 57.07 55.63 2aby s TYR 50 Cb -0.17 -0.95 -0.04 0.00 -0.40 0.00 0.00 41.96 40.40 2aby s TYR 50 CO 0.08 0.08 0.09 -0.06 -1.57 0.00 0.00 175.55 174.17 2aby s PHE 51 N -3.27 3.34 -0.05 2.71 0.40 0.91 -1.26 117.98 120.75 2aby s PHE 51 Ca 0.28 0.22 0.01 0.00 -0.60 0.00 0.00 56.93 56.83 2aby s PHE 51 Cb 0.05 -2.07 0.02 0.00 0.51 0.00 0.00 43.02 41.52 2aby s PHE 51 CO 0.09 0.28 -0.07 1.03 0.70 0.00 0.00 175.22 177.25 2aby s ARG 52 N 0.14 1.16 -0.09 0.44 1.81 -0.63 -0.05 118.95 121.73 2aby s ARG 52 Ca 0.07 -0.22 0.02 0.00 -1.72 0.00 0.00 55.73 53.88 2aby s ARG 52 Cb -0.12 -1.07 -0.02 0.00 -0.45 0.00 0.00 34.95 33.29 2aby s ARG 52 CO -0.00 -0.05 -0.13 0.96 -0.68 0.00 0.00 175.30 175.40 2aby s ILE 53 N 0.87 3.14 -0.13 1.52 -5.25 0.41 -1.55 121.20 120.21 2aby s ILE 53 Ca -0.11 -0.67 0.02 0.00 -0.99 0.00 0.00 60.65 58.90 2aby s ILE 53 Cb -0.15 -2.27 0.01 0.00 2.95 0.00 0.00 42.46 43.00 2aby s ILE 53 CO 0.01 0.56 -0.21 -0.22 -1.79 0.00 0.00 174.94 173.29 2aby s LEU 54 N -0.28 2.17 -0.12 0.37 0.20 -0.47 -1.54 118.68 119.01 2aby s LEU 54 Ca 0.02 -0.57 -0.00 0.00 0.69 0.00 0.00 54.13 54.27 2aby s LEU 54 Cb -0.13 -1.46 0.03 0.00 -0.43 0.00 0.00 46.19 44.20 2aby s LEU 54 CO 0.03 0.10 -0.08 0.12 -0.29 0.00 0.00 176.35 176.23 2aby s PHE 55 N 0.71 1.51 0.06 5.38 5.36 -0.48 -0.62 117.98 129.90 2aby s PHE 55 Ca -0.09 -0.77 0.03 0.00 -0.96 0.00 0.00 56.93 55.14 2aby s PHE 55 Cb -0.16 -1.25 -0.03 0.00 -0.34 0.00 0.00 43.02 41.24 2aby s PHE 55 CO 0.01 -0.52 -0.09 1.14 -1.46 0.00 0.00 175.22 174.29 2aby s GLN 56 N 1.70 0.67 0.48 10.12 -2.07 -0.35 0.27 119.66 130.48 2aby s GLN 56 Ca 0.05 -0.93 0.05 0.00 -1.82 0.00 0.00 55.36 52.71 2aby s GLN 56 Cb -0.13 -0.40 -0.01 0.00 -1.09 0.00 0.00 33.01 31.39 2aby s GLN 56 CO -0.08 0.07 0.25 -1.54 -1.32 0.00 0.00 175.29 172.67 2aby s SER 57 N -1.94 4.50 -0.02 12.60 1.04 -1.23 -1.16 113.70 127.48 2aby s SER 57 Ca -0.03 -1.23 0.20 0.00 0.48 0.00 0.00 55.95 55.37 2aby s SER 57 Cb -0.07 0.06 -0.22 0.00 0.10 0.00 0.00 66.02 65.89 2aby s SER 57 CO -0.00 -0.84 0.54 1.17 0.98 0.00 0.00 173.24 175.09 2aby n LYS 58 N -1.48 0.65 0.00 4.02 3.00 -1.26 -4.03 118.16 119.06 2aby n LYS 58 Ca -0.04 -0.01 0.15 0.00 -0.00 0.00 0.00 58.31 58.41 2aby n LYS 58 Cb 0.65 -1.63 0.83 0.00 0.00 0.00 0.00 35.03 34.88 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 -2.59 0.69 -1.39 1.64 4.76 -1.26 -4.85 118.16 115.16 2aby n LYS 59 Ca -0.12 0.00 -0.51 0.00 -2.87 0.00 0.00 58.31 54.82 2aby n LYS 59 Cb 0.77 -1.50 -0.10 0.00 -1.84 0.00 0.00 35.03 32.36 2aby n LYS 59 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 2aby n LEU 60 N -1.14 1.23 -4.68 -0.35 -0.00 -1.02 -4.86 117.00 106.17 2aby n LEU 60 Ca 0.19 0.39 -0.30 0.00 -0.00 0.00 0.00 56.01 56.29 2aby n LEU 60 Cb 0.17 -1.08 -0.08 0.00 -0.00 0.00 0.00 43.42 42.43 2aby n LEU 60 CO 0.20 -0.81 -0.34 -0.55 -0.00 0.00 0.00 177.39 175.90 2aby s SER 61 N 7.56 5.00 0.22 1.96 0.15 -1.26 -5.02 113.70 122.31 2aby s SER 61 Ca 1.18 -0.19 -0.00 0.00 0.70 0.00 0.00 55.95 57.64 2aby s SER 61 Cb -1.13 -1.18 0.20 0.00 -1.71 0.00 0.00 66.02 62.20 2aby s SER 61 CO 0.54 0.17 1.56 -0.33 1.20 0.00 0.00 173.24 176.37 2aby h GLU 62 N 3.41 0.45 0.00 5.44 5.08 -1.99 -3.45 114.58 123.52 2aby h GLU 62 Ca -0.48 -0.27 0.00 0.00 -1.00 0.00 0.00 59.36 57.61 2aby h GLU 62 Cb 1.17 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.44 2aby h GLU 62 CO 0.59 0.86 0.00 1.47 -1.00 0.00 0.00 179.01 180.93 2aby n LEU 63 N -3.96 0.00 -2.78 1.33 -0.00 -1.26 -4.81 117.00 105.52 2aby n LEU 63 Ca -0.02 0.00 -0.04 0.00 -0.00 0.00 0.00 56.01 55.95 2aby n LEU 63 Cb 0.57 0.00 0.02 0.00 -0.00 0.00 0.00 43.42 44.01 2aby n LEU 63 CO 0.45 -0.50 0.19 1.57 -0.00 0.00 0.00 177.39 179.11 2aby n HIS 64 N -1.47 -2.22 0.50 1.47 -0.00 -1.26 -4.89 115.22 107.34 2aby n HIS 64 Ca 0.00 0.83 0.07 0.00 0.46 0.00 0.00 57.72 59.07 2aby n HIS 64 Cb 0.00 -3.64 0.31 0.00 -0.12 0.00 0.00 29.99 26.54 2aby n HIS 64 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 2aby n PRO 65 N -2.02 0.01 -0.03 1.57 -0.04 -1.26 -3.09 135.00 130.15 2aby n PRO 65 Ca -0.02 0.25 -0.13 0.00 -0.04 0.00 0.00 63.50 63.56 2aby n PRO 65 Cb 0.53 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.40 2aby n PRO 65 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2aby h GLU 66 N 0.00 0.10 -0.10 0.54 5.08 -2.01 -2.99 114.58 115.20 2aby h GLU 66 Ca 0.00 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 2aby h GLU 66 Cb 0.24 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 2aby h GLU 66 CO 0.00 0.61 -0.12 1.05 -1.00 0.00 0.00 179.01 179.55 2aby h GLU 67 N -0.39 0.16 0.32 2.33 4.11 -1.92 -1.54 114.58 117.65 2aby h GLU 67 Ca 0.00 -0.03 -0.02 0.00 0.07 0.00 0.00 59.36 59.39 2aby h GLU 67 Cb 0.60 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.82 2aby h GLU 67 CO 0.01 0.29 -0.15 0.00 0.07 0.00 0.00 179.01 179.23 2aby h ARG 68 N 0.15 -0.41 -0.20 1.06 3.08 -1.62 -1.33 114.38 115.12 2aby h ARG 68 Ca 0.03 0.03 -0.09 0.00 0.07 0.00 0.00 59.98 60.02 2aby h ARG 68 Cb 0.31 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 2aby h ARG 68 CO 0.02 -0.24 -0.27 1.57 -1.07 0.00 0.00 179.97 179.98 2aby h LYS 69 N -0.48 0.37 0.25 0.04 2.10 -1.37 -1.23 116.57 116.25 2aby h LYS 69 Ca -0.04 -0.14 -0.01 0.00 -2.00 0.00 0.00 60.65 58.45 2aby h LYS 69 Cb 0.36 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.67 2aby h LYS 69 CO 0.07 0.62 -0.12 -0.22 -2.00 0.00 0.00 179.45 177.80 2aby h LYS 70 N 0.33 -0.32 -0.17 0.07 1.63 -1.06 -1.52 116.57 115.53 2aby h LYS 70 Ca 0.05 0.02 -0.11 0.00 -0.85 0.00 0.00 60.65 59.76 2aby h LYS 70 Cb 0.66 0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.35 2aby h LYS 70 CO 0.05 -0.20 -0.39 -0.39 -3.45 0.00 0.00 179.45 175.06 2aby h VAL 71 N -0.35 1.30 0.29 2.00 -1.51 -1.19 -0.71 116.25 116.08 2aby h VAL 71 Ca -0.03 -1.52 -0.01 0.00 -1.23 0.00 0.00 66.70 63.91 2aby h VAL 71 Cb 0.27 1.61 -0.01 0.00 -2.13 0.00 0.00 31.29 31.03 2aby h VAL 71 CO 0.06 0.46 -0.19 0.03 -1.23 0.00 0.00 177.57 176.70 2aby h ARG 72 N 0.31 -0.45 -0.17 5.19 -0.00 -0.99 0.21 114.38 118.49 2aby h ARG 72 Ca 0.03 0.03 -0.17 0.00 -0.50 0.00 0.00 59.98 59.37 2aby h ARG 72 Cb 0.83 0.10 -0.01 0.00 0.00 0.00 0.00 29.97 30.90 2aby h ARG 72 CO 0.07 -0.30 -0.58 1.05 0.00 0.00 0.00 179.97 180.20 2aby h GLU 73 N -0.47 0.54 0.21 0.04 4.11 -1.28 -0.81 114.58 116.92 2aby h GLU 73 Ca -0.03 -0.36 -0.01 0.00 0.07 0.00 0.00 59.36 59.04 2aby h GLU 73 Cb 0.39 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.69 2aby h GLU 73 CO 0.02 0.97 -0.10 -0.22 0.07 0.00 0.00 179.01 179.75 2aby h LYS 74 N 0.41 -0.28 -0.20 1.06 1.63 -0.94 -1.13 116.57 117.12 2aby h LYS 74 Ca 0.00 0.02 -0.13 0.00 -0.85 0.00 0.00 60.65 59.69 2aby h LYS 74 Cb 1.13 0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.82 2aby h LYS 74 CO 0.11 -0.12 -0.42 0.27 -3.45 0.00 0.00 179.45 175.84 2aby h PHE 75 N -0.37 0.58 -0.09 1.91 -5.15 -0.62 -1.34 116.94 111.86 2aby h PHE 75 Ca -0.03 -0.17 0.00 0.00 -0.20 0.00 0.00 57.97 57.58 2aby h PHE 75 Cb 0.29 -0.12 -0.01 0.00 0.22 0.00 0.00 35.95 36.33 2aby h PHE 75 CO -0.04 0.83 0.04 0.22 -2.00 0.00 0.00 178.31 177.36 2aby h ASP 76 N 0.40 0.07 -0.05 -0.68 3.58 -0.99 -0.56 116.42 118.19 2aby h ASP 76 Ca 0.03 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.46 2aby h ASP 76 Cb 0.90 -0.01 -0.00 0.00 1.72 0.00 0.00 39.33 41.94 2aby h ASP 76 CO 0.08 0.05 -0.05 -0.33 -2.88 0.00 0.00 179.24 176.11 2aby h GLU 77 N 0.10 0.12 -0.98 0.28 4.39 -1.18 -0.99 114.58 116.32 2aby h GLU 77 Ca 0.03 -0.06 0.18 0.00 0.34 0.00 0.00 59.36 59.85 2aby h GLU 77 Cb 0.00 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 28.56 2aby h GLU 77 CO -0.02 0.58 0.61 -0.91 -1.16 0.00 0.00 179.01 178.11 2aby h ASN 78 N -0.34 0.74 0.02 1.42 2.35 -1.18 0.41 115.58 119.00 2aby h ASN 78 Ca 0.01 0.08 -0.20 0.00 -0.55 0.00 0.00 56.30 55.64 2aby h ASN 78 Cb 0.56 -0.06 0.02 0.00 0.05 0.00 0.00 38.32 38.89 2aby h ASN 78 CO 0.01 0.30 -0.78 -1.28 -1.65 0.00 0.00 177.43 174.03 2aby h SER 79 N 0.74 0.65 0.53 5.81 0.87 -1.06 -3.14 113.55 117.95 2aby h SER 79 Ca 0.54 -0.78 0.00 0.00 -1.23 0.00 0.00 61.79 60.32 2aby h SER 79 Cb 0.87 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.63 2aby h SER 79 CO -0.31 1.35 0.00 -2.11 -0.53 0.00 0.00 176.83 175.22 2aby n ARG 80 N -4.09 0.04 -1.01 2.24 -4.01 -0.38 -4.85 116.66 104.60 2aby n ARG 80 Ca -0.11 0.20 -0.36 0.00 -1.04 0.00 0.00 57.85 56.54 2aby n ARG 80 Cb 0.76 -1.50 0.06 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 -1.47 -0.03 -1.47 2.89 2.81 0.13 -4.92 117.12 115.06 2aby n MET 81 Ca 0.05 0.01 -0.31 0.00 -1.81 0.00 0.00 57.70 55.63 2aby n MET 81 Cb 0.19 -1.35 0.07 0.00 -0.71 0.00 0.00 33.22 31.41 2aby n MET 81 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 2aby s GLN 82 N -2.43 2.67 0.40 0.03 -0.21 -1.26 -4.78 119.66 114.08 2aby s GLN 82 Ca 0.50 1.08 0.10 0.00 0.02 0.00 0.00 55.36 57.05 2aby s GLN 82 Cb -0.25 -1.95 0.88 0.00 1.00 0.00 0.00 33.01 32.69 2aby s GLN 82 CO 0.73 -1.32 1.98 -0.92 -2.12 0.00 0.00 175.29 173.64 2aby h TYR 83 N -0.80 0.59 -0.02 0.91 3.20 -1.97 0.14 116.97 119.02 2aby h TYR 83 Ca -0.44 0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.47 2aby h TYR 83 Cb 1.22 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 39.27 2aby h TYR 83 CO 0.60 0.30 -0.11 0.77 -1.64 0.00 0.00 178.16 178.08 2aby h SER 84 N 0.58 -0.33 0.21 -2.11 0.02 -1.98 0.46 113.55 110.39 2aby h SER 84 Ca 0.28 0.05 -0.21 0.00 -0.84 0.00 0.00 61.79 61.08 2aby h SER 84 Cb 0.36 0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.05 2aby h SER 84 CO -0.09 -0.16 -0.82 -0.08 -1.14 0.00 0.00 176.83 174.54 2aby h GLU 85 N -0.18 0.48 -0.66 3.45 4.57 -1.79 -0.58 114.58 119.88 2aby h GLU 85 Ca 0.05 -0.44 -0.06 0.00 -1.18 0.00 0.00 59.36 57.73 2aby h GLU 85 Cb 0.25 0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 28.91 2aby h GLU 85 CO -0.13 1.08 0.17 1.25 -1.18 0.00 0.00 179.01 180.20 2aby h LEU 86 N 0.31 0.97 0.13 1.64 7.12 -0.46 -0.29 115.31 124.73 2aby h LEU 86 Ca -0.06 -0.19 -0.28 0.00 0.13 0.00 0.00 57.88 57.48 2aby h LEU 86 Cb 1.43 -0.25 0.00 0.00 -0.53 0.00 0.00 40.66 41.31 2aby h LEU 86 CO 0.15 0.93 -1.31 0.24 -0.13 0.00 0.00 178.44 178.31 2aby h MET 87 N 0.98 0.27 -0.09 1.25 2.86 -0.09 -3.16 114.93 116.95 2aby h MET 87 Ca 0.21 -0.46 -0.01 0.00 -2.06 0.00 0.00 59.70 57.38 2aby h MET 87 Cb 0.33 0.17 -0.00 0.00 0.06 0.00 0.00 31.60 32.16 2aby h MET 87 CO -0.00 1.19 0.02 1.15 1.06 0.00 0.00 176.91 180.33 2aby h THR 88 N 0.07 1.21 0.00 2.22 2.02 -0.93 0.30 112.91 117.81 2aby h THR 88 Ca -0.16 -0.66 0.00 0.00 0.77 0.00 0.00 66.41 66.36 2aby h THR 88 Cb 1.99 1.48 0.00 0.00 -1.74 0.00 0.00 68.15 69.87 2aby h THR 88 CO 0.19 0.19 0.00 1.17 0.37 0.00 0.00 175.52 177.44 2aby n LYS 89 N -4.86 0.00 -0.12 6.66 3.00 -0.13 0.37 118.16 123.08 2aby n LYS 89 Ca -0.06 0.28 -0.24 0.00 -0.00 0.00 0.00 58.31 58.29 2aby n LYS 89 Cb 0.17 -1.50 -0.11 0.00 0.00 0.00 0.00 35.03 33.58 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 -1.50 0.24 -0.09 5.64 9.36 -0.90 -4.06 117.16 125.86 2aby n TYR 90 Ca 0.03 0.08 -0.10 0.00 3.32 0.00 0.00 57.90 61.23 2aby n TYR 90 Cb 0.15 -1.03 -0.04 0.00 -0.63 0.00 0.00 39.34 37.79 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 -3.86 0.70 0.22 2.98 -0.00 0.10 -2.33 115.22 113.03 2aby n HIS 91 Ca -0.47 0.31 0.15 0.00 0.46 0.00 0.00 57.72 58.17 2aby n HIS 91 Cb 0.91 -0.79 0.80 0.00 -0.12 0.00 0.00 29.99 30.79 2aby n HIS 91 CO 0.00 0.00 0.00 0.22 0.46 0.00 0.00 176.34 177.02 2aby h ASP 92 N -1.00 0.00 0.16 0.26 1.82 -0.22 0.21 116.42 117.65 2aby h ASP 92 Ca -0.11 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.53 2aby h ASP 92 Cb 0.82 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.83 2aby h ASP 92 CO -0.07 0.00 -1.30 -0.11 -1.61 0.00 0.00 179.24 176.15 2aby n LEU 93 N -4.00 0.57 0.21 2.28 -0.00 -0.66 -4.22 117.00 111.18 2aby n LEU 93 Ca 0.00 -0.18 0.18 0.00 -0.00 0.00 0.00 56.01 56.02 2aby n LEU 93 Cb 0.25 -0.04 0.84 0.00 -0.00 0.00 0.00 43.42 44.47 2aby n LEU 93 CO 0.30 0.10 1.16 0.50 -0.00 0.00 0.00 177.39 179.44 2aby h LYS 94 N 0.00 0.00 -0.34 1.96 3.11 -0.54 0.28 116.57 121.04 2aby h LYS 94 Ca 0.00 0.00 0.06 0.00 -2.81 0.00 0.00 60.65 57.90 2aby h LYS 94 Cb 0.73 0.00 -0.08 0.00 -1.00 0.00 0.00 32.23 31.88 2aby h LYS 94 CO 0.00 0.00 -0.47 0.87 -2.81 0.00 0.00 179.45 177.04 2aby h LYS 95 N 0.00 -0.38 0.00 1.90 1.79 -1.73 -3.20 116.57 114.95 2aby h LYS 95 Ca 0.09 0.03 -0.34 0.00 -2.18 0.00 0.00 60.65 58.25 2aby h LYS 95 Cb 0.60 0.09 -0.06 0.00 -1.58 0.00 0.00 32.23 31.28 2aby h LYS 95 CO -0.00 -0.25 -2.31 1.04 -1.08 0.00 0.00 179.45 176.85 2aby n GLN 96 N -5.41 0.84 -3.11 3.15 1.13 -0.99 -4.71 117.38 108.27 2aby n GLN 96 Ca -0.02 -0.02 -0.44 0.00 -1.94 0.00 0.00 57.00 54.58 2aby n GLN 96 Cb 0.36 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.21 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 1.79 3.95 3.41 1.08 0.00 0.94 -5.03 105.19 111.32 2aby n GLY 97 Ca -0.30 -2.33 -0.30 0.00 0.00 0.00 0.00 46.02 43.08 2aby n GLY 97 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2aby n LYS 98 N 3.88 -1.82 -3.82 1.61 -0.00 -1.24 -4.10 118.16 112.67 2aby n LYS 98 Ca 0.30 -0.50 -0.12 0.00 -0.00 0.00 0.00 58.31 57.99 2aby n LYS 98 Cb 0.40 -1.98 -0.11 0.00 -0.00 0.00 0.00 35.03 33.33 2aby n LYS 98 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.40 175.90 2aby s ILE 99 N -2.36 0.02 0.10 0.58 2.07 -1.26 -4.48 121.20 115.88 2aby s ILE 99 Ca 0.63 -0.19 0.08 0.00 -1.41 0.00 0.00 60.65 59.76 2aby s ILE 99 Cb -0.20 -0.33 -0.03 0.00 0.13 0.00 0.00 42.46 42.03 2aby s ILE 99 CO 0.65 -0.10 -0.20 -0.54 -1.91 0.00 0.00 174.94 172.83 2aby s LYS 100 N -0.32 1.10 -0.66 3.50 1.02 -1.26 -5.03 119.74 118.09 2aby s LYS 100 Ca -0.04 -1.15 -0.05 0.00 0.02 0.00 0.00 55.97 54.75 2aby s LYS 100 Cb -0.03 -1.35 0.17 0.00 -0.52 0.00 0.00 37.83 36.10 2aby s LYS 100 CO 0.01 0.31 0.50 0.34 -0.92 0.00 0.00 175.35 175.59 2aby s ASP 101 N -1.90 5.53 0.69 2.83 2.15 -1.26 -4.79 116.67 119.91 2aby s ASP 101 Ca 0.06 -2.80 -0.11 0.00 0.43 0.00 0.00 52.55 50.12 2aby s ASP 101 Cb -0.10 -1.92 0.00 0.00 -0.30 0.00 0.00 42.92 40.60 2aby s ASP 101 CO 0.04 -0.41 1.06 -0.13 -0.17 0.00 0.00 175.17 175.56 2aby s ARG 102 N 0.01 2.94 0.25 4.34 1.81 -1.26 -5.00 118.95 122.04 2aby s ARG 102 Ca 0.17 1.01 -0.30 0.00 -1.72 0.00 0.00 55.73 54.89 2aby s ARG 102 Cb -0.18 -1.99 -0.09 0.00 -0.45 0.00 0.00 34.95 32.23 2aby s ARG 102 CO -0.04 -1.10 1.27 -1.25 -0.68 0.00 0.00 175.30 173.50 2aby s PRO 103 N -4.89 4.42 0.16 3.54 0.04 -1.26 -5.00 135.00 132.01 2aby s PRO 103 Ca 0.59 2.05 -0.30 0.00 0.04 0.00 0.00 61.00 63.38 2aby s PRO 103 Cb -0.15 -3.16 -0.07 0.00 0.04 0.00 0.00 34.50 31.16 2aby s PRO 103 CO 0.52 -0.16 1.02 0.54 0.04 0.00 0.00 177.00 178.97 2aby s VAL 104 N -0.42 4.14 0.06 -0.36 0.11 -1.26 -4.83 120.40 117.84 2aby s VAL 104 Ca 0.53 1.87 -0.20 0.00 -2.93 0.00 0.00 61.98 61.24 2aby s VAL 104 Cb -0.36 -4.19 -0.06 0.00 -1.53 0.00 0.00 36.38 30.23 2aby s VAL 104 CO 0.42 0.33 0.60 -0.54 -3.33 0.00 0.00 175.10 172.58 2aby s LYS 105 N -0.36 4.27 0.17 1.54 3.01 -0.77 -4.78 119.74 122.81 2aby s LYS 105 Ca 0.47 0.78 -0.30 0.00 -1.01 0.00 0.00 55.97 55.91 2aby s LYS 105 Cb -0.26 -3.27 -0.07 0.00 -1.01 0.00 0.00 37.83 33.21 2aby s LYS 105 CO 0.33 0.56 1.10 -1.21 0.51 0.00 0.00 175.35 176.63 2aby s GLU 106 N -0.86 4.59 -0.05 1.68 2.02 -1.26 0.55 118.70 125.37 2aby s GLU 106 Ca 0.30 1.70 0.01 0.00 0.02 0.00 0.00 54.97 57.01 2aby s GLU 106 Cb -0.19 -3.29 -0.03 0.00 0.10 0.00 0.00 34.13 30.72 2aby s GLU 106 CO 0.19 0.06 -0.07 0.08 0.02 0.00 0.00 175.26 175.54 2aby s VAL 107 N -0.14 3.66 0.53 2.63 1.01 0.90 -4.87 120.40 124.12 2aby s VAL 107 Ca 0.50 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 61.94 2aby s VAL 107 Cb -0.29 -2.51 0.00 0.00 0.00 0.00 0.00 36.38 33.58 2aby s VAL 107 CO 0.34 0.56 0.06 -1.00 0.00 0.00 0.00 175.10 175.06 2aby s HIS 108 N -0.84 1.77 -0.17 5.22 3.76 -1.26 -3.88 115.29 119.88 2aby s HIS 108 Ca 0.13 -0.97 -0.29 0.00 -0.15 0.00 0.00 55.06 53.78 2aby s HIS 108 Cb -0.11 -1.64 -0.01 0.00 1.11 0.00 0.00 32.58 31.93 2aby s HIS 108 CO 0.02 0.11 1.13 -1.21 -0.85 0.00 0.00 174.74 173.93 2aby s GLU 109 N -3.95 4.28 0.00 1.40 2.02 -1.26 -4.92 118.70 116.27 2aby s GLU 109 Ca 0.07 1.50 0.00 0.00 0.02 0.00 0.00 54.97 56.56 2aby s GLU 109 Cb 0.00 -3.66 0.00 0.00 0.10 0.00 0.00 34.13 30.58 2aby s GLU 109 CO 0.04 -0.59 0.00 -1.91 0.02 0.00 0.00 175.26 172.82 2aby n GLU 110 N 6.09 -1.03 -3.64 1.61 2.13 -1.26 -5.09 120.64 119.45 2aby n GLU 110 Ca 0.12 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 32.06 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 2.11 0.00 4.31 1.51 -1.26 -4.88 117.35 116.13 2aby s TYR 111 Ca 0.00 -2.66 0.00 0.00 -1.01 0.00 0.00 57.07 53.40 2aby s TYR 111 Cb 0.00 -1.74 0.00 0.00 -0.11 0.00 0.00 41.96 40.11 2aby s TYR 111 CO 0.00 -0.72 0.00 -3.47 -1.11 0.00 0.00 175.55 170.25 2aby n ASP 112 N 2.77 0.02 -3.02 2.29 2.03 -1.26 -5.09 116.55 114.29 2aby n ASP 112 Ca 0.21 0.00 -0.03 0.00 0.52 0.00 0.00 54.79 55.49 2aby n ASP 112 Cb 0.40 0.00 0.03 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 -2.83 0.00 -0.23 -2.67 4.77 -1.26 -4.89 117.00 109.89 2aby n LEU 113 Ca 0.00 -0.09 -0.06 0.00 -0.03 0.00 0.00 56.01 55.83 2aby n LEU 113 Cb 0.33 -0.10 0.04 0.00 -2.33 0.00 0.00 43.42 41.36 2aby n LEU 113 CO 0.00 -1.63 1.06 -0.50 -1.33 0.00 0.00 177.39 174.99 2aby h TRP 114 N -2.15 0.92 -6.23 -1.77 -0.00 -2.00 -3.47 115.95 101.24 2aby h TRP 114 Ca -0.04 -0.03 -0.32 0.00 -0.00 0.00 0.00 58.89 58.49 2aby h TRP 114 Cb 0.14 -0.29 0.01 0.00 -0.00 0.00 0.00 29.16 29.02 2aby h TRP 114 CO 0.00 0.67 -0.71 0.39 -0.00 0.00 0.00 178.44 178.79 2aby n GLU 115 N -4.50 -1.39 0.01 0.49 1.02 -1.26 -4.75 120.64 110.26 2aby n GLU 115 Ca 0.05 0.95 0.00 0.00 -0.02 0.00 0.00 57.16 58.13 2aby n GLU 115 Cb 0.11 -3.68 0.00 0.00 -0.02 0.00 0.00 31.44 27.85 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 -2.34 -0.18 0.03 1.62 8.00 -1.26 -4.92 116.55 117.51 2aby n ASP 116 Ca -0.18 0.42 -0.13 0.00 0.71 0.00 0.00 54.79 55.61 2aby n ASP 116 Cb 0.61 0.54 -0.09 0.00 -0.02 0.00 0.00 41.12 42.17 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 -0.12 0.00 -0.24 0.13 -1.92 -2.57 132.00 127.28 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 0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.16 2aby h PRO 117 CO 0.00 0.32 0.00 -0.84 -0.23 0.00 0.00 178.00 177.25 2aby h ILE 118 N -0.61 0.00 0.00 -3.56 -2.65 -1.83 -3.06 117.51 105.80 2aby h ILE 118 Ca -0.01 -0.56 -0.16 0.00 1.03 0.00 0.00 64.86 65.16 2aby h ILE 118 Cb 0.49 1.54 -0.02 0.00 -2.05 0.00 0.00 36.82 36.79 2aby h ILE 118 CO 0.02 0.00 -0.75 -0.25 0.03 0.00 0.00 178.15 177.21 2aby h TRP 119 N 0.00 0.00 0.00 0.16 7.01 -1.91 -3.40 115.95 117.82 2aby h TRP 119 Ca 0.00 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.00 2aby h TRP 119 Cb 0.76 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.82 2aby h TRP 119 CO 0.00 0.75 0.00 1.04 -2.79 0.00 0.00 178.44 177.44 2aby n GLN 120 N -3.33 0.00 -2.74 2.65 1.13 -0.97 -4.98 117.38 109.15 2aby n GLN 120 Ca 0.01 0.18 -0.07 0.00 -1.94 0.00 0.00 57.00 55.18 2aby n GLN 120 Cb 0.82 -0.61 -0.00 0.00 0.11 0.00 0.00 30.24 30.56 2aby n GLN 120 CO 0.00 0.00 0.00 2.48 -1.44 0.00 0.00 177.06 178.10 2aby n TYR 121 N -1.49 -1.33 0.00 1.08 4.11 -1.16 -5.12 117.16 113.24 2aby n TYR 121 Ca 0.00 -1.18 0.00 0.00 -0.00 0.00 0.00 57.90 56.72 2aby n TYR 121 Cb 0.00 0.40 0.00 0.00 -0.00 0.00 0.00 39.34 39.74 2aby n TYR 121 CO 0.00 0.00 0.00 0.44 -0.00 0.00 0.00 176.86 177.30