#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 2.85 -0.16 2.12 1.11 -1.26 -4.88 119.66 119.44 2aby s GLN 2 Ca 0.00 -1.27 -0.00 0.00 0.01 0.00 0.00 55.36 54.10 2aby s GLN 2 Cb 0.00 -5.30 0.04 0.00 -1.01 0.00 0.00 33.01 26.74 2aby s GLN 2 CO 0.00 -3.51 -0.08 0.15 0.01 0.00 0.00 175.29 171.87 2aby s LYS 3 N 5.99 1.65 0.00 2.91 1.02 -1.26 -4.73 119.74 125.32 2aby s LYS 3 Ca 0.65 -0.53 0.00 0.00 0.02 0.00 0.00 55.97 56.11 2aby s LYS 3 Cb -0.00 -2.02 0.00 0.00 -0.52 0.00 0.00 37.83 35.29 2aby s LYS 3 CO 0.10 -0.38 0.00 0.41 -0.92 0.00 0.00 175.35 174.56 2aby n GLY 4 N 4.84 1.54 3.46 -3.33 0.00 -1.26 -5.00 105.19 105.44 2aby n GLY 4 Ca -0.13 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.74 2aby n GLY 4 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2aby s LEU 5 N 0.00 -0.21 -0.22 0.99 1.98 -1.26 -3.90 118.68 116.06 2aby s LEU 5 Ca 0.00 0.82 -0.14 0.00 -2.89 0.00 0.00 54.13 51.92 2aby s LEU 5 Cb 0.00 2.09 -0.04 0.00 0.66 0.00 0.00 46.19 48.90 2aby s LEU 5 CO 0.00 -0.40 0.32 -1.61 -1.89 0.00 0.00 176.35 172.76 2aby s GLU 6 N -0.54 4.13 0.05 1.98 8.01 -1.26 -4.25 118.70 126.82 2aby s GLU 6 Ca -0.07 0.03 0.06 0.00 0.01 0.00 0.00 54.97 55.01 2aby s GLU 6 Cb -0.03 -3.54 -0.02 0.00 -4.31 0.00 0.00 34.13 26.23 2aby s GLU 6 CO 0.05 -0.01 -0.16 0.96 0.01 0.00 0.00 175.26 176.11 2aby s ILE 7 N 1.24 1.29 0.05 -1.63 -0.00 0.17 -4.94 121.20 117.39 2aby s ILE 7 Ca 0.15 -1.13 0.08 0.00 -0.00 0.00 0.00 60.65 59.75 2aby s ILE 7 Cb -0.14 -1.16 -0.03 0.00 -0.00 0.00 0.00 42.46 41.12 2aby s ILE 7 CO 0.07 0.02 -0.21 0.00 -0.00 0.00 0.00 174.94 174.81 2aby s ALA 8 N -0.92 2.49 -0.01 2.27 0.00 -1.26 -1.37 121.76 122.97 2aby s ALA 8 Ca 0.03 -1.25 0.00 0.00 0.00 0.00 0.00 51.96 50.75 2aby s ALA 8 Cb -0.08 -0.64 0.01 0.00 0.00 0.00 0.00 23.12 22.41 2aby s ALA 8 CO 0.02 0.56 -0.01 0.12 0.00 0.00 0.00 175.76 176.45 2aby s PHE 9 N -0.92 0.16 0.28 0.00 5.36 -0.78 -4.68 117.98 117.40 2aby s PHE 9 Ca 0.14 -0.01 0.11 0.00 -0.96 0.00 0.00 56.93 56.22 2aby s PHE 9 Cb -0.10 -0.17 -0.05 0.00 -0.34 0.00 0.00 43.02 42.36 2aby s PHE 9 CO 0.05 -0.03 -0.14 1.14 -1.46 0.00 0.00 175.22 174.77 2aby s GLN 10 N 0.27 1.84 -0.23 10.12 -2.07 -1.26 -0.05 119.66 128.28 2aby s GLN 10 Ca -0.02 -1.69 -0.12 0.00 -1.82 0.00 0.00 55.36 51.70 2aby s GLN 10 Cb -0.04 -1.87 0.07 0.00 -1.09 0.00 0.00 33.01 30.09 2aby s GLN 10 CO -0.01 0.33 0.56 -0.08 -1.32 0.00 0.00 175.29 174.77 2aby s THR 11 N -2.47 -0.09 0.00 3.63 -1.32 0.87 -4.94 115.64 111.32 2aby s THR 11 Ca 0.31 0.05 0.00 0.00 -1.21 0.00 0.00 61.69 60.83 2aby s THR 11 Cb -0.05 -0.82 0.00 0.00 -1.51 0.00 0.00 72.50 70.12 2aby s THR 11 CO 0.16 0.02 0.00 -0.38 -2.21 0.00 0.00 174.62 172.21 2aby n ILE 12 N 4.41 0.00 -0.07 5.08 -0.00 -1.26 -1.19 119.36 126.33 2aby n ILE 12 Ca -0.20 0.00 0.25 0.00 -0.00 0.00 0.00 62.75 62.79 2aby n ILE 12 Cb 0.56 -0.24 0.72 0.00 -0.00 0.00 0.00 39.64 40.68 2aby n ILE 12 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.55 175.42 2aby h ASN 13 N 0.00 0.00 0.00 4.38 -0.73 -1.97 -3.45 115.58 113.81 2aby h ASN 13 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 2aby h ASN 13 Cb 0.46 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.05 2aby h ASN 13 CO 0.00 0.00 0.00 0.61 -0.37 0.00 0.00 177.43 177.67 2aby n GLY 14 N -1.63 3.14 0.00 1.57 0.00 -1.26 -4.83 105.19 102.18 2aby n GLY 14 Ca 0.14 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.27 2aby n GLY 14 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2aby n LEU 15 N 0.00 0.00 -0.27 0.99 7.94 -1.26 -2.39 117.00 122.00 2aby n LEU 15 Ca 0.00 0.32 0.12 0.00 -1.11 0.00 0.00 56.01 55.34 2aby n LEU 15 Cb 0.00 -0.32 0.25 0.00 0.53 0.00 0.00 43.42 43.88 2aby n LEU 15 CO 0.00 -0.07 0.51 0.47 -1.11 0.00 0.00 177.39 177.19 2aby n ASP 16 N -1.32 1.22 -0.25 1.96 8.00 -1.26 -4.29 116.55 120.61 2aby n ASP 16 Ca 0.10 -0.99 0.05 0.00 0.71 0.00 0.00 54.79 54.67 2aby n ASP 16 Cb 0.20 0.27 0.18 0.00 -0.02 0.00 0.00 41.12 41.75 2aby n ASP 16 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 2aby h GLU 17 N 1.33 0.28 -0.98 -1.24 4.11 -1.89 0.11 114.58 116.30 2aby h GLU 17 Ca 0.00 -0.02 0.02 0.00 0.07 0.00 0.00 59.36 59.43 2aby h GLU 17 Cb 0.57 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.70 2aby h GLU 17 CO 0.00 0.18 0.65 0.77 0.07 0.00 0.00 179.01 180.68 2aby h SER 18 N 0.29 1.11 -0.67 3.06 0.02 -1.83 -1.45 113.55 114.08 2aby h SER 18 Ca 0.41 -0.02 -0.07 0.00 -0.84 0.00 0.00 61.79 61.27 2aby h SER 18 Cb 0.69 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.93 2aby h SER 18 CO -0.49 0.79 0.14 0.25 -1.14 0.00 0.00 176.83 176.37 2aby h LEU 19 N 1.31 1.05 0.12 5.07 6.46 -1.10 0.26 115.31 128.47 2aby h LEU 19 Ca 0.37 -0.23 -0.01 0.00 -0.12 0.00 0.00 57.88 57.89 2aby h LEU 19 Cb -0.11 -0.28 0.00 0.00 -0.73 0.00 0.00 40.66 39.55 2aby h LEU 19 CO -0.09 1.02 -0.06 0.58 -0.62 0.00 0.00 178.44 179.27 2aby h VAL 20 N 1.04 1.00 -0.28 1.05 2.07 -0.57 0.40 116.25 120.95 2aby h VAL 20 Ca 0.21 -0.47 -0.11 0.00 0.82 0.00 0.00 66.70 67.16 2aby h VAL 20 Cb 0.40 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 2aby h VAL 20 CO 0.01 0.11 -0.27 1.56 0.02 0.00 0.00 177.57 179.00 2aby h GLN 21 N -0.38 0.56 0.12 1.57 1.08 -1.23 -0.95 115.11 115.89 2aby h GLN 21 Ca -0.02 -0.23 -0.01 0.00 -1.45 0.00 0.00 58.65 56.95 2aby h GLN 21 Cb 0.31 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.71 2aby h GLN 21 CO 0.03 0.78 -0.06 0.00 -0.95 0.00 0.00 178.83 178.63 2aby h ALA 22 N 1.22 -0.16 -0.51 3.87 0.00 -0.39 -2.17 119.26 121.10 2aby h ALA 22 Ca 0.07 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 2aby h ALA 22 Cb 0.72 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 2aby h ALA 22 CO 0.06 -0.32 0.28 1.37 0.00 0.00 0.00 179.25 180.63 2aby h LEU 23 N -0.70 0.63 -0.45 0.00 8.10 -0.21 -1.40 115.31 121.27 2aby h LEU 23 Ca -0.02 -0.04 -0.08 0.00 0.11 0.00 0.00 57.88 57.85 2aby h LEU 23 Cb 0.52 -0.16 -0.02 0.00 -0.44 0.00 0.00 40.66 40.57 2aby h LEU 23 CO 0.03 0.51 -0.02 0.00 -4.11 0.00 0.00 178.44 174.85 2aby h ALA 24 N 1.60 0.61 -0.12 0.17 0.00 -1.18 -1.21 119.26 119.12 2aby h ALA 24 Ca 0.18 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 2aby h ALA 24 Cb 0.02 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 2aby h ALA 24 CO -0.03 0.42 -0.02 0.78 0.00 0.00 0.00 179.25 180.40 2aby h GLY 25 N 0.65 0.24 1.19 0.00 0.00 -0.90 -1.63 103.07 102.61 2aby h GLY 25 Ca 0.12 -0.19 -0.03 0.00 0.00 0.00 0.00 47.33 47.23 2aby h GLY 25 CO 0.03 0.18 0.33 -0.24 0.00 0.00 0.00 176.54 176.83 2aby h VAL 26 N -0.09 1.24 0.26 4.60 3.04 -1.28 -0.89 116.25 123.12 2aby h VAL 26 Ca 0.03 -0.69 -0.01 0.00 -1.01 0.00 0.00 66.70 65.02 2aby h VAL 26 Cb 0.43 0.33 0.00 0.00 -2.01 0.00 0.00 31.29 30.04 2aby h VAL 26 CO 0.01 0.29 -0.13 0.71 -1.01 0.00 0.00 177.57 177.44 2aby h THR 27 N 1.04 0.79 -0.95 3.17 1.35 -1.17 0.31 112.91 117.44 2aby h THR 27 Ca 0.25 -0.52 0.04 0.00 -0.55 0.00 0.00 66.41 65.63 2aby h THR 27 Cb 0.14 1.07 -0.06 0.00 -1.73 0.00 0.00 68.15 67.57 2aby h THR 27 CO -0.03 0.11 0.62 0.00 -0.25 0.00 0.00 175.52 175.97 2aby h ALA 28 N 0.01 1.41 -0.01 6.62 0.00 -1.20 0.16 119.26 126.24 2aby h ALA 28 Ca -0.04 -0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.66 2aby h ALA 28 Cb 0.45 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2aby h ALA 28 CO 0.06 0.49 -0.77 0.77 0.00 0.00 0.00 179.25 179.80 2aby h SER 29 N 1.17 0.17 1.67 0.00 0.02 -1.10 -3.04 113.55 112.45 2aby h SER 29 Ca 0.38 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 2aby h SER 29 Cb 0.05 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2aby h SER 29 CO -0.13 0.87 0.00 0.44 -1.14 0.00 0.00 176.83 176.88 2aby h ASP 30 N 0.09 0.00 -2.55 3.07 5.19 0.51 -3.36 116.42 119.36 2aby h ASP 30 Ca -0.02 0.00 -0.67 0.00 -0.62 0.00 0.00 57.03 55.72 2aby h ASP 30 Cb 1.35 0.00 -0.38 0.00 0.18 0.00 0.00 39.33 40.49 2aby h ASP 30 CO 0.11 0.00 -0.16 0.49 -3.12 0.00 0.00 179.24 176.56 2aby n PHE 31 N -2.73 3.32 0.33 4.55 3.72 0.48 -4.85 117.46 122.28 2aby n PHE 31 Ca 0.04 -3.74 0.15 0.00 -0.05 0.00 0.00 57.45 53.86 2aby n PHE 31 Cb 0.46 -0.81 0.61 0.00 -0.94 0.00 0.00 39.48 38.80 2aby n PHE 31 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2aby h PRO 32 N 4.77 0.00 0.00 -1.08 0.13 -1.72 -2.76 132.00 131.34 2aby h PRO 32 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 2aby h PRO 32 Cb 0.67 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.80 2aby h PRO 32 CO 0.97 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.49 2aby n ASP 33 N -2.70 0.45 -0.51 1.44 8.00 -1.26 -4.82 116.55 117.14 2aby n ASP 33 Ca 0.01 0.65 -0.07 0.00 0.71 0.00 0.00 54.79 56.09 2aby n ASP 33 Cb 0.26 -0.73 -0.03 0.00 -0.02 0.00 0.00 41.12 40.61 2aby n ASP 33 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2aby n LEU 34 N -2.03 -0.08 -0.36 0.64 4.32 -1.04 -4.82 117.00 113.62 2aby n LEU 34 Ca 0.01 0.16 0.13 0.00 -0.02 0.00 0.00 56.01 56.30 2aby n LEU 34 Cb 0.14 -2.05 0.44 0.00 -1.62 0.00 0.00 43.42 40.32 2aby n LEU 34 CO 0.13 -0.75 0.75 -0.90 -1.22 0.00 0.00 177.39 175.41 2aby n ASP 35 N -0.59 1.27 -4.71 -1.43 5.68 -1.26 -4.88 116.55 110.63 2aby n ASP 35 Ca -0.07 -1.18 -0.42 0.00 -0.50 0.00 0.00 54.79 52.62 2aby n ASP 35 Cb 0.42 0.07 -0.03 0.00 -1.14 0.00 0.00 41.12 40.44 2aby n ASP 35 CO 0.00 0.00 0.00 -0.51 -1.33 0.00 0.00 177.20 175.36 2aby s ILE 36 N -2.27 4.21 -0.87 2.12 2.07 -1.26 -4.15 121.20 121.06 2aby s ILE 36 Ca 0.31 1.58 -0.00 0.00 -1.41 0.00 0.00 60.65 61.12 2aby s ILE 36 Cb 0.20 -4.01 0.24 0.00 0.13 0.00 0.00 42.46 39.01 2aby s ILE 36 CO 0.43 0.09 0.86 0.29 -1.91 0.00 0.00 174.94 174.71 2aby n LYS 37 N 4.22 2.84 -4.36 3.50 4.01 -0.25 -5.03 118.16 123.09 2aby n LYS 37 Ca 0.09 -4.53 -0.28 0.00 -0.51 0.00 0.00 58.31 53.09 2aby n LYS 37 Cb 0.47 -2.39 -0.13 0.00 -0.51 0.00 0.00 35.03 32.47 2aby n LYS 37 CO 0.00 0.00 0.00 -0.47 -1.11 0.00 0.00 177.40 175.82 2aby s TYR 38 N -1.78 2.17 0.19 2.13 5.04 -1.26 -0.62 117.35 123.22 2aby s TYR 38 Ca 0.30 -0.39 -0.23 0.00 -2.44 0.00 0.00 57.07 54.31 2aby s TYR 38 Cb -0.01 -1.17 0.05 0.00 0.35 0.00 0.00 41.96 41.18 2aby s TYR 38 CO -0.08 0.31 0.70 -0.80 -1.34 0.00 0.00 175.55 174.35 2aby s ASN 39 N -2.05 -0.40 -0.06 4.32 0.01 -0.42 -5.00 114.94 111.34 2aby s ASN 39 Ca 0.12 -0.27 0.03 0.00 -0.71 0.00 0.00 52.86 52.03 2aby s ASN 39 Cb -0.10 0.62 0.01 0.00 0.41 0.00 0.00 41.25 42.19 2aby s ASN 39 CO 0.06 -1.08 -0.13 0.27 -1.51 0.00 0.00 177.10 174.71 2aby s ILE 40 N -3.72 1.14 0.10 0.60 -4.36 -1.26 -1.39 121.20 112.30 2aby s ILE 40 Ca 0.06 -0.50 0.06 0.00 -0.26 0.00 0.00 60.65 60.01 2aby s ILE 40 Cb -0.03 -1.03 -0.03 0.00 1.25 0.00 0.00 42.46 42.62 2aby s ILE 40 CO -0.04 0.35 -0.15 0.72 0.24 0.00 0.00 174.94 176.07 2aby s PHE 41 N 0.53 1.35 -0.18 1.37 -0.12 -0.56 -1.75 117.98 118.62 2aby s PHE 41 Ca -0.12 -0.50 -0.03 0.00 -0.05 0.00 0.00 56.93 56.23 2aby s PHE 41 Cb -0.14 -0.73 -0.02 0.00 -0.63 0.00 0.00 43.02 41.50 2aby s PHE 41 CO 0.03 0.11 -0.06 -1.17 -0.05 0.00 0.00 175.22 174.08 2aby s LEU 42 N -2.08 2.95 -0.09 -1.99 0.20 0.18 -1.92 118.68 115.93 2aby s LEU 42 Ca 0.04 -0.30 -0.03 0.00 0.69 0.00 0.00 54.13 54.52 2aby s LEU 42 Cb -0.08 -1.72 -0.04 0.00 -0.43 0.00 0.00 46.19 43.93 2aby s LEU 42 CO 0.03 0.08 0.04 0.68 -0.29 0.00 0.00 176.35 176.88 2aby s VAL 43 N 0.90 4.63 -0.25 1.68 -7.23 -0.01 -1.42 120.40 118.70 2aby s VAL 43 Ca -0.01 -0.14 -0.02 0.00 -1.81 0.00 0.00 61.98 59.99 2aby s VAL 43 Cb -0.15 -2.97 0.08 0.00 0.56 0.00 0.00 36.38 33.90 2aby s VAL 43 CO 0.01 0.60 0.07 1.51 -0.31 0.00 0.00 175.10 176.98 2aby s ASP 44 N -0.96 3.39 0.04 4.85 -4.77 -1.26 0.01 116.67 117.96 2aby s ASP 44 Ca 0.14 -1.17 -0.18 0.00 -3.30 0.00 0.00 52.55 48.03 2aby s ASP 44 Cb -0.12 -0.65 0.04 0.00 -1.09 0.00 0.00 42.92 41.10 2aby s ASP 44 CO 0.03 -0.36 0.42 -0.22 0.70 0.00 0.00 175.17 175.73 2aby s LEU 45 N 1.82 0.39 -1.30 2.11 1.98 0.36 -4.91 118.68 119.12 2aby s LEU 45 Ca 0.04 0.03 -0.03 0.00 -2.89 0.00 0.00 54.13 51.28 2aby s LEU 45 Cb -0.17 1.74 0.00 0.00 0.66 0.00 0.00 46.19 48.42 2aby s LEU 45 CO -0.18 -0.65 0.39 -1.22 -1.89 0.00 0.00 176.35 172.79 2aby n TYR 46 N 0.56 -1.42 -0.91 5.38 4.01 -1.26 -1.63 117.16 121.89 2aby n TYR 46 Ca -0.19 0.33 0.00 0.00 -0.16 0.00 0.00 57.90 57.89 2aby n TYR 46 Cb 0.59 -3.74 0.00 0.00 -0.31 0.00 0.00 39.34 35.88 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 -1.30 0.24 3.08 2.72 0.00 -1.26 -4.96 105.19 103.71 2aby n GLY 47 Ca -0.12 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.07 0.83 -0.11 1.61 -0.21 -0.65 -5.14 119.66 114.92 2aby s GLN 48 Ca 0.00 -0.55 0.01 0.00 0.02 0.00 0.00 55.36 54.84 2aby s GLN 48 Cb 0.00 -0.80 -0.01 0.00 1.00 0.00 0.00 33.01 33.20 2aby s GLN 48 CO 0.00 0.21 -0.16 -1.59 -2.12 0.00 0.00 175.29 171.62 2aby s LYS 49 N -0.71 3.19 0.10 2.91 0.00 -1.26 -0.49 119.74 123.48 2aby s LYS 49 Ca 0.02 -0.74 0.09 0.00 0.00 0.00 0.00 55.97 55.33 2aby s LYS 49 Cb -0.06 -2.51 -0.04 0.00 0.00 0.00 0.00 37.83 35.23 2aby s LYS 49 CO 0.00 0.25 -0.22 0.71 0.00 0.00 0.00 175.35 176.09 2aby s TYR 50 N 0.23 1.90 -0.19 1.78 2.02 0.10 -4.97 117.35 118.22 2aby s TYR 50 Ca -0.11 -0.41 -0.09 0.00 -0.37 0.00 0.00 57.07 56.10 2aby s TYR 50 Cb -0.16 -1.05 -0.05 0.00 -0.40 0.00 0.00 41.96 40.31 2aby s TYR 50 CO 0.06 0.22 0.11 -0.06 -1.57 0.00 0.00 175.55 174.32 2aby s PHE 51 N -1.11 3.39 0.02 2.71 0.40 -0.33 -0.83 117.98 122.22 2aby s PHE 51 Ca 0.08 0.29 0.04 0.00 -0.60 0.00 0.00 56.93 56.74 2aby s PHE 51 Cb -0.10 -2.12 -0.02 0.00 0.51 0.00 0.00 43.02 41.29 2aby s PHE 51 CO 0.04 0.30 -0.12 1.03 0.70 0.00 0.00 175.22 177.17 2aby s ARG 52 N 0.24 0.84 -0.03 0.44 3.00 -0.81 -0.09 118.95 122.54 2aby s ARG 52 Ca 0.07 -0.58 0.05 0.00 0.00 0.00 0.00 55.73 55.28 2aby s ARG 52 Cb -0.11 -0.81 -0.01 0.00 0.00 0.00 0.00 34.95 34.02 2aby s ARG 52 CO -0.01 0.21 -0.20 0.96 0.00 0.00 0.00 175.30 176.26 2aby s ILE 53 N -0.63 1.60 -0.20 1.52 -5.25 0.93 -1.50 121.20 117.67 2aby s ILE 53 Ca 0.01 -0.84 -0.01 0.00 -0.99 0.00 0.00 60.65 58.83 2aby s ILE 53 Cb -0.06 -1.35 0.01 0.00 2.95 0.00 0.00 42.46 44.00 2aby s ILE 53 CO 0.00 0.45 -0.13 -0.22 -1.79 0.00 0.00 174.94 173.26 2aby s LEU 54 N -0.20 2.47 -0.16 0.37 0.20 -0.49 -1.86 118.68 119.01 2aby s LEU 54 Ca 0.01 -0.53 0.01 0.00 0.69 0.00 0.00 54.13 54.31 2aby s LEU 54 Cb -0.10 -1.59 0.02 0.00 -0.43 0.00 0.00 46.19 44.08 2aby s LEU 54 CO 0.01 -0.00 -0.18 0.12 -0.29 0.00 0.00 176.35 176.00 2aby s PHE 55 N 1.34 2.53 0.05 5.38 2.19 -0.47 -1.30 117.98 127.70 2aby s PHE 55 Ca 0.05 -1.43 0.01 0.00 0.33 0.00 0.00 56.93 55.89 2aby s PHE 55 Cb -0.14 -1.78 -0.03 0.00 -1.31 0.00 0.00 43.02 39.77 2aby s PHE 55 CO -0.08 -0.71 -0.06 1.14 1.83 0.00 0.00 175.22 177.33 2aby s GLN 56 N 1.24 0.54 0.28 10.12 -2.07 0.21 0.46 119.66 130.45 2aby s GLN 56 Ca 0.02 -0.85 0.12 0.00 -1.82 0.00 0.00 55.36 52.83 2aby s GLN 56 Cb -0.14 -0.16 -0.05 0.00 -1.09 0.00 0.00 33.01 31.58 2aby s GLN 56 CO -0.10 0.01 -0.19 -1.12 -1.32 0.00 0.00 175.29 172.57 2aby s SER 57 N -1.88 3.62 0.00 12.60 0.01 -1.26 -1.08 113.70 125.70 2aby s SER 57 Ca -0.07 -1.03 0.23 0.00 1.31 0.00 0.00 55.95 56.39 2aby s SER 57 Cb -0.06 -0.31 0.17 0.00 0.21 0.00 0.00 66.02 66.02 2aby s SER 57 CO -0.01 0.02 1.18 1.17 0.41 0.00 0.00 173.24 176.01 2aby n LYS 58 N -0.64 0.41 0.00 12.44 3.00 -1.26 -3.93 118.16 128.18 2aby n LYS 58 Ca -0.05 -0.30 0.13 0.00 -0.00 0.00 0.00 58.31 58.08 2aby n LYS 58 Cb 0.60 -1.49 0.27 0.00 0.00 0.00 0.00 35.03 34.41 2aby n LYS 58 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2aby n LYS 59 N -1.03 1.16 -1.69 1.64 4.01 -1.26 -4.95 118.16 116.05 2aby n LYS 59 Ca 0.07 -0.80 -0.56 0.00 -0.51 0.00 0.00 58.31 56.51 2aby n LYS 59 Cb 0.37 -1.48 -0.07 0.00 -0.51 0.00 0.00 35.03 33.33 2aby n LYS 59 CO 0.00 0.00 0.00 1.47 -1.11 0.00 0.00 177.40 177.76 2aby n LEU 60 N -0.23 2.25 -4.59 -0.35 -0.00 -1.25 -4.86 117.00 107.98 2aby n LEU 60 Ca 0.12 1.08 -0.31 0.00 -0.00 0.00 0.00 56.01 56.91 2aby n LEU 60 Cb 0.40 -1.15 -0.10 0.00 -0.00 0.00 0.00 43.42 42.57 2aby n LEU 60 CO 0.25 -0.55 -0.40 -0.44 -0.00 0.00 0.00 177.39 176.24 2aby s SER 61 N 2.92 4.50 0.10 1.45 0.01 -1.26 -5.03 113.70 116.38 2aby s SER 61 Ca 0.95 -0.28 -0.13 0.00 1.31 0.00 0.00 55.95 57.81 2aby s SER 61 Cb -1.04 -0.95 -0.15 0.00 0.21 0.00 0.00 66.02 64.09 2aby s SER 61 CO 0.62 0.22 1.30 -0.08 0.41 0.00 0.00 173.24 175.71 2aby h GLU 62 N 4.02 0.78 -7.66 12.44 4.81 -1.97 -3.46 114.58 123.55 2aby h GLU 62 Ca -0.48 -0.63 -0.43 0.00 -0.13 0.00 0.00 59.36 57.69 2aby h GLU 62 Cb 1.17 0.13 0.18 0.00 0.63 0.00 0.00 28.75 30.86 2aby h GLU 62 CO 0.53 1.24 0.29 -0.51 -0.73 0.00 0.00 179.01 179.83 2aby s LEU 63 N -8.46 1.78 -0.74 1.64 2.01 -1.26 -4.56 118.68 109.09 2aby s LEU 63 Ca -0.11 0.34 -0.03 0.00 0.01 0.00 0.00 54.13 54.34 2aby s LEU 63 Cb 0.08 -2.17 0.00 0.00 0.01 0.00 0.00 46.19 44.12 2aby s LEU 63 CO 0.90 -3.50 0.65 1.41 1.01 0.00 0.00 176.35 176.82 2aby n HIS 64 N -4.29 -2.64 0.50 0.29 8.25 -1.26 -4.84 115.22 111.22 2aby n HIS 64 Ca 0.16 1.04 0.07 0.00 -0.26 0.00 0.00 57.72 58.73 2aby n HIS 64 Cb 0.59 -3.47 0.31 0.00 1.12 0.00 0.00 29.99 28.55 2aby n HIS 64 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 2aby n PRO 65 N -1.91 0.01 0.26 -0.41 -0.04 -1.26 -2.87 135.00 128.78 2aby n PRO 65 Ca -0.12 0.25 0.09 0.00 -0.04 0.00 0.00 63.50 63.68 2aby n PRO 65 Cb 0.58 -1.50 0.67 0.00 -0.04 0.00 0.00 33.50 33.21 2aby n PRO 65 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2aby h GLU 66 N 0.00 0.00 -0.38 0.54 4.81 -1.98 -2.12 114.58 115.45 2aby h GLU 66 Ca 0.00 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.07 2aby h GLU 66 Cb 0.24 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 2aby h GLU 66 CO 0.00 0.06 -0.39 1.05 -0.73 0.00 0.00 179.01 179.00 2aby h GLU 67 N 0.00 0.92 -0.05 1.92 4.11 -1.89 -1.70 114.58 117.89 2aby h GLU 67 Ca -0.00 -0.49 0.04 0.00 0.07 0.00 0.00 59.36 58.98 2aby h GLU 67 Cb 0.12 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.34 2aby h GLU 67 CO 0.01 1.14 -0.28 0.00 0.07 0.00 0.00 179.01 179.94 2aby h ARG 68 N 0.75 -0.39 -0.38 1.06 -0.00 -1.59 0.19 114.38 114.02 2aby h ARG 68 Ca 0.06 0.03 -0.11 0.00 -0.50 0.00 0.00 59.98 59.45 2aby h ARG 68 Cb 0.98 0.09 -0.01 0.00 0.00 0.00 0.00 29.97 31.02 2aby h ARG 68 CO 0.10 -0.26 -0.22 1.57 0.00 0.00 0.00 179.97 181.16 2aby h LYS 69 N -0.40 0.74 0.27 0.04 2.10 -1.58 -1.09 116.57 116.65 2aby h LYS 69 Ca 0.08 -0.29 -0.01 0.00 -2.00 0.00 0.00 60.65 58.43 2aby h LYS 69 Cb 0.51 -0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 31.80 2aby h LYS 69 CO -0.28 0.90 -0.18 -0.22 -2.00 0.00 0.00 179.45 177.67 2aby h LYS 70 N 0.65 -0.43 -0.16 0.07 3.64 -0.63 -1.52 116.57 118.19 2aby h LYS 70 Ca 0.09 0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.41 2aby h LYS 70 Cb 0.72 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.62 2aby h LYS 70 CO 0.06 -0.29 -0.29 -0.39 -2.27 0.00 0.00 179.45 176.27 2aby h VAL 71 N -0.45 1.26 -0.02 2.00 -1.51 -0.64 -1.33 116.25 115.56 2aby h VAL 71 Ca -0.02 -1.26 0.01 0.00 -1.23 0.00 0.00 66.70 64.19 2aby h VAL 71 Cb 0.38 1.47 -0.01 0.00 -2.13 0.00 0.00 31.29 31.00 2aby h VAL 71 CO 0.01 0.39 -0.01 0.03 -1.23 0.00 0.00 177.57 176.76 2aby h ARG 72 N 0.28 -0.01 -0.19 5.19 2.47 -0.84 0.54 114.38 121.81 2aby h ARG 72 Ca 0.04 0.00 -0.18 0.00 -1.26 0.00 0.00 59.98 58.58 2aby h ARG 72 Cb 0.66 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.98 2aby h ARG 72 CO 0.05 -0.01 -0.60 1.05 0.56 0.00 0.00 179.97 181.02 2aby h GLU 73 N -0.01 0.65 0.23 0.04 4.11 -1.21 -0.60 114.58 117.79 2aby h GLU 73 Ca 0.01 -0.44 -0.01 0.00 0.07 0.00 0.00 59.36 58.99 2aby h GLU 73 Cb 0.03 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.35 2aby h GLU 73 CO -0.03 1.06 -0.11 -0.22 0.07 0.00 0.00 179.01 179.78 2aby h LYS 74 N 0.49 -0.30 -0.16 1.06 3.11 -1.02 -0.08 116.57 119.67 2aby h LYS 74 Ca -0.00 0.02 -0.14 0.00 -2.81 0.00 0.00 60.65 57.71 2aby h LYS 74 Cb 1.18 0.07 -0.01 0.00 -1.00 0.00 0.00 32.23 32.47 2aby h LYS 74 CO 0.12 -0.20 -0.51 0.27 -2.81 0.00 0.00 179.45 176.32 2aby h PHE 75 N -0.31 0.55 -0.02 1.91 -5.15 -0.94 -1.18 116.94 111.80 2aby h PHE 75 Ca -0.03 -0.18 -0.00 0.00 -0.20 0.00 0.00 57.97 57.56 2aby h PHE 75 Cb 0.24 -0.11 -0.00 0.00 0.22 0.00 0.00 35.95 36.30 2aby h PHE 75 CO -0.06 0.86 0.01 0.22 -2.00 0.00 0.00 178.31 177.34 2aby h ASP 76 N 0.35 0.02 -0.02 -0.68 3.58 -0.89 0.42 116.42 119.20 2aby h ASP 76 Ca 0.01 -0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.41 2aby h ASP 76 Cb 1.01 -0.01 -0.00 0.00 1.72 0.00 0.00 39.33 42.06 2aby h ASP 76 CO 0.09 0.06 -0.02 -0.33 -2.88 0.00 0.00 179.24 176.16 2aby h GLU 77 N -0.02 0.05 -0.59 0.28 5.08 -1.01 -1.40 114.58 116.97 2aby h GLU 77 Ca 0.01 -0.03 0.12 0.00 -1.00 0.00 0.00 59.36 58.46 2aby h GLU 77 Cb 0.04 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 2aby h GLU 77 CO -0.00 0.53 0.40 -0.97 -1.00 0.00 0.00 179.01 177.98 2aby h ASN 78 N -0.43 0.26 0.05 1.42 -0.73 -1.19 0.37 115.58 115.34 2aby h ASN 78 Ca 0.00 0.01 -0.17 0.00 1.87 0.00 0.00 56.30 58.01 2aby h ASN 78 Cb 0.53 -0.04 0.02 0.00 0.27 0.00 0.00 38.32 39.09 2aby h ASN 78 CO 0.01 0.15 -0.69 0.28 -0.37 0.00 0.00 177.43 176.80 2aby h SER 79 N 0.28 0.51 0.67 1.15 0.02 -0.83 -3.20 113.55 112.16 2aby h SER 79 Ca 0.28 -0.83 0.00 0.00 -0.84 0.00 0.00 61.79 60.40 2aby h SER 79 Cb 0.72 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.10 2aby h SER 79 CO -0.06 1.29 0.00 -2.11 -1.14 0.00 0.00 176.83 174.81 2aby n ARG 80 N -4.18 0.09 -1.13 3.45 -4.01 -0.53 -4.88 116.66 105.47 2aby n ARG 80 Ca -0.12 0.11 -0.37 0.00 -1.04 0.00 0.00 57.85 56.43 2aby n ARG 80 Cb 0.73 -1.50 0.04 0.00 -3.04 0.00 0.00 32.46 28.70 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 -1.44 0.06 -1.99 2.89 2.81 0.12 -4.88 117.12 114.69 2aby n MET 81 Ca 0.07 0.03 -0.35 0.00 -1.81 0.00 0.00 57.70 55.64 2aby n MET 81 Cb 0.24 -1.27 0.03 0.00 -0.71 0.00 0.00 33.22 31.51 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 -1.97 2.99 0.42 0.03 -0.21 -1.26 -4.77 119.66 114.89 2aby s GLN 82 Ca 0.53 1.64 0.18 0.00 0.02 0.00 0.00 55.36 57.73 2aby s GLN 82 Cb -0.33 -1.95 1.09 0.00 1.00 0.00 0.00 33.01 32.82 2aby s GLN 82 CO 0.70 -1.15 1.84 -0.92 -2.12 0.00 0.00 175.29 173.65 2aby h TYR 83 N 0.68 0.54 0.25 0.91 5.03 -1.97 -0.08 116.97 122.34 2aby h TYR 83 Ca -0.49 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 60.83 2aby h TYR 83 Cb 1.27 -0.17 -0.00 0.00 1.55 0.00 0.00 36.73 39.39 2aby h TYR 83 CO 0.50 0.13 -0.14 0.77 -1.32 0.00 0.00 178.16 178.11 2aby h SER 84 N 0.40 -0.33 -0.13 -2.11 0.02 -1.98 0.18 113.55 109.60 2aby h SER 84 Ca 0.49 0.02 -0.09 0.00 -0.84 0.00 0.00 61.79 61.37 2aby h SER 84 Cb 1.23 0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.85 2aby h SER 84 CO -0.19 -0.23 -0.19 -0.08 -1.14 0.00 0.00 176.83 175.01 2aby h GLU 85 N -0.37 0.53 -0.45 3.45 4.81 -1.59 0.26 114.58 121.22 2aby h GLU 85 Ca -0.03 -0.18 -0.11 0.00 -0.13 0.00 0.00 59.36 58.91 2aby h GLU 85 Cb 0.29 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 2aby h GLU 85 CO 0.04 0.70 -0.15 1.25 -0.73 0.00 0.00 179.01 180.12 2aby h LEU 86 N 0.48 0.86 0.00 1.64 7.12 -0.76 -1.52 115.31 123.13 2aby h LEU 86 Ca 0.08 -0.29 -0.19 0.00 0.13 0.00 0.00 57.88 57.61 2aby h LEU 86 Cb 0.60 -0.23 -0.03 0.00 -0.53 0.00 0.00 40.66 40.47 2aby h LEU 86 CO 0.04 1.01 -1.03 0.24 -0.13 0.00 0.00 178.44 178.58 2aby h MET 87 N 0.76 0.00 -0.03 1.25 2.86 -0.41 -3.22 114.93 116.14 2aby h MET 87 Ca 0.12 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.75 2aby h MET 87 Cb 0.67 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.33 2aby h MET 87 CO 0.05 0.69 -0.02 1.15 1.06 0.00 0.00 176.91 179.84 2aby h THR 88 N 0.00 1.36 0.00 2.22 2.02 -0.34 0.30 112.91 118.47 2aby h THR 88 Ca -0.07 -1.10 0.00 0.00 0.77 0.00 0.00 66.41 66.00 2aby h THR 88 Cb 1.68 2.04 0.00 0.00 -1.74 0.00 0.00 68.15 70.13 2aby h THR 88 CO 0.09 0.30 0.00 1.17 0.37 0.00 0.00 175.52 177.45 2aby n LYS 89 N -4.81 0.04 -0.12 6.66 3.00 -0.58 0.33 118.16 122.68 2aby n LYS 89 Ca -0.08 0.33 -0.23 0.00 -0.00 0.00 0.00 58.31 58.33 2aby n LYS 89 Cb 0.26 -1.59 -0.11 0.00 0.00 0.00 0.00 35.03 33.59 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 -1.67 0.16 -0.08 5.64 9.36 -1.09 -4.11 117.16 125.38 2aby n TYR 90 Ca 0.03 0.05 -0.07 0.00 3.32 0.00 0.00 57.90 61.23 2aby n TYR 90 Cb 0.15 -1.02 -0.02 0.00 -0.63 0.00 0.00 39.34 37.82 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 -3.73 0.70 0.17 2.98 -0.00 0.10 -2.33 115.22 113.12 2aby n HIS 91 Ca -0.48 0.31 0.18 0.00 0.46 0.00 0.00 57.72 58.19 2aby n HIS 91 Cb 0.94 -0.72 0.80 0.00 -0.12 0.00 0.00 29.99 30.88 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 0.21 0.26 1.82 -0.24 0.12 116.42 117.58 2aby h ASP 92 Ca -0.02 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.62 2aby h ASP 92 Cb 0.67 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.68 2aby h ASP 92 CO -0.01 0.00 -1.52 -0.11 -1.61 0.00 0.00 179.24 175.98 2aby n LEU 93 N -3.84 0.39 0.08 2.28 -0.00 -0.67 -4.22 117.00 111.01 2aby n LEU 93 Ca 0.03 -0.04 0.19 0.00 -0.00 0.00 0.00 56.01 56.18 2aby n LEU 93 Cb 0.40 -0.03 0.73 0.00 -0.00 0.00 0.00 43.42 44.52 2aby n LEU 93 CO 0.28 0.03 1.17 0.50 -0.00 0.00 0.00 177.39 179.36 2aby h LYS 94 N 0.00 0.00 0.00 1.96 3.11 -0.34 0.15 116.57 121.44 2aby h LYS 94 Ca 0.00 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.83 2aby h LYS 94 Cb 0.87 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 32.09 2aby h LYS 94 CO 0.00 0.00 -0.03 -0.22 -2.81 0.00 0.00 179.45 176.39 2aby h LYS 95 N 0.00 0.00 -0.24 1.90 3.11 -1.73 -1.71 116.57 117.90 2aby h LYS 95 Ca 0.19 0.00 -0.12 0.00 -2.81 0.00 0.00 60.65 57.91 2aby h LYS 95 Cb 0.83 0.00 -0.07 0.00 -1.00 0.00 0.00 32.23 31.99 2aby h LYS 95 CO -0.00 0.03 -0.21 1.04 -2.81 0.00 0.00 179.45 177.50 2aby n GLN 96 N -4.01 1.77 -0.93 1.90 1.13 0.51 -5.04 117.38 112.71 2aby n GLN 96 Ca -0.03 -3.22 0.00 0.00 -1.94 0.00 0.00 57.00 51.81 2aby n GLN 96 Cb 0.12 -1.75 0.00 0.00 0.11 0.00 0.00 30.24 28.72 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 -1.12 -0.71 0.35 1.08 0.00 -0.64 -5.10 105.19 99.04 2aby n GLY 97 Ca 0.29 -0.41 -0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 0.00 0.04 -4.26 1.61 0.00 -1.26 -4.74 118.16 109.55 2aby n LYS 98 Ca 0.00 -0.11 -0.14 0.00 -0.00 0.00 0.00 58.31 58.05 2aby n LYS 98 Cb 0.00 0.16 -0.10 0.00 -0.00 0.00 0.00 35.03 35.09 2aby n LYS 98 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.40 178.36 2aby s ILE 99 N -2.40 0.36 0.02 0.58 -4.36 -1.26 -4.37 121.20 109.77 2aby s ILE 99 Ca 0.02 -1.99 0.07 0.00 -0.26 0.00 0.00 60.65 58.49 2aby s ILE 99 Cb -0.00 -2.53 -0.02 0.00 1.25 0.00 0.00 42.46 41.16 2aby s ILE 99 CO 0.00 -0.06 -0.20 -0.54 0.24 0.00 0.00 174.94 174.38 2aby s LYS 100 N -4.07 1.44 -0.72 0.37 -0.14 -1.26 -4.97 119.74 110.38 2aby s LYS 100 Ca 0.37 -0.85 0.04 0.00 -1.36 0.00 0.00 55.97 54.17 2aby s LYS 100 Cb 0.07 -1.49 0.23 0.00 -1.68 0.00 0.00 37.83 34.96 2aby s LYS 100 CO 0.12 0.39 0.73 -0.40 -0.76 0.00 0.00 175.35 175.42 2aby n ASP 101 N 2.11 3.78 -4.80 2.83 5.75 -1.26 -4.63 116.55 120.33 2aby n ASP 101 Ca -0.16 -3.34 -0.31 0.00 -0.01 0.00 0.00 54.79 50.97 2aby n ASP 101 Cb 0.53 -0.78 0.07 0.00 -1.03 0.00 0.00 41.12 39.91 2aby n ASP 101 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 2aby s ARG 102 N -2.07 2.62 0.53 0.11 0.52 -1.26 -5.02 118.95 114.38 2aby s ARG 102 Ca 0.33 0.95 -0.20 0.00 -0.52 0.00 0.00 55.73 56.30 2aby s ARG 102 Cb 0.06 -1.95 -0.06 0.00 0.52 0.00 0.00 34.95 33.51 2aby s ARG 102 CO -0.07 -1.32 1.14 -1.25 0.02 0.00 0.00 175.30 173.81 2aby s PRO 103 N -5.03 3.42 -0.05 3.54 0.04 -1.26 -5.00 135.00 130.66 2aby s PRO 103 Ca 0.59 1.64 -0.16 0.00 0.04 0.00 0.00 61.00 63.11 2aby s PRO 103 Cb -0.15 -2.07 -0.05 0.00 0.04 0.00 0.00 34.50 32.27 2aby s PRO 103 CO 0.55 -0.80 0.43 0.54 0.04 0.00 0.00 177.00 177.76 2aby s VAL 104 N -1.73 5.08 0.08 -0.36 0.11 -1.26 -4.67 120.40 117.64 2aby s VAL 104 Ca 0.71 0.88 -0.14 0.00 -2.93 0.00 0.00 61.98 60.50 2aby s VAL 104 Cb -0.25 -3.75 -0.06 0.00 -1.53 0.00 0.00 36.38 30.79 2aby s VAL 104 CO 0.28 0.48 0.48 -0.54 -3.33 0.00 0.00 175.10 172.47 2aby s LYS 105 N -0.39 3.96 0.20 1.54 -0.14 -0.71 -4.81 119.74 119.38 2aby s LYS 105 Ca 0.24 0.45 -0.30 0.00 -1.36 0.00 0.00 55.97 55.00 2aby s LYS 105 Cb -0.16 -3.08 -0.08 0.00 -1.68 0.00 0.00 37.83 32.83 2aby s LYS 105 CO 0.12 0.59 0.95 -1.21 -0.76 0.00 0.00 175.35 175.04 2aby s GLU 106 N -1.54 4.80 -0.08 1.68 2.02 -1.26 0.50 118.70 124.82 2aby s GLU 106 Ca 0.31 1.49 -0.01 0.00 0.02 0.00 0.00 54.97 56.79 2aby s GLU 106 Cb -0.16 -3.31 -0.03 0.00 0.10 0.00 0.00 34.13 30.73 2aby s GLU 106 CO 0.17 0.42 -0.03 0.08 0.02 0.00 0.00 175.26 175.92 2aby s VAL 107 N -0.83 4.03 0.48 2.63 1.01 -0.51 -4.87 120.40 122.34 2aby s VAL 107 Ca 0.43 -0.36 0.03 0.00 0.00 0.00 0.00 61.98 62.08 2aby s VAL 107 Cb -0.25 -2.67 -0.03 0.00 0.00 0.00 0.00 36.38 33.42 2aby s VAL 107 CO 0.32 0.60 0.01 -2.28 0.00 0.00 0.00 175.10 173.75 2aby s HIS 108 N -0.84 2.08 0.74 5.22 2.46 -1.26 -4.19 115.29 119.50 2aby s HIS 108 Ca 0.13 -0.86 -0.11 0.00 0.47 0.00 0.00 55.06 54.69 2aby s HIS 108 Cb -0.11 -1.67 0.05 0.00 -0.13 0.00 0.00 32.58 30.72 2aby s HIS 108 CO 0.02 0.30 1.11 -1.21 -2.47 0.00 0.00 174.74 172.48 2aby s GLU 109 N -3.83 2.39 -1.30 2.88 2.02 -1.26 -4.26 118.70 115.35 2aby s GLU 109 Ca 0.15 0.19 -0.04 0.00 0.02 0.00 0.00 54.97 55.29 2aby s GLU 109 Cb 0.04 -2.03 0.01 0.00 0.10 0.00 0.00 34.13 32.26 2aby s GLU 109 CO 0.08 -1.28 0.99 0.39 0.02 0.00 0.00 175.26 175.46 2aby n GLU 110 N -3.10 -6.53 -2.67 1.61 1.02 -1.26 -4.92 120.64 104.79 2aby n GLU 110 Ca 0.07 0.77 -0.05 0.00 -0.02 0.00 0.00 57.16 57.94 2aby n GLU 110 Cb 0.59 -5.70 0.08 0.00 -0.02 0.00 0.00 31.44 26.40 2aby n GLU 110 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 2aby n TYR 111 N -4.44 -0.79 -1.54 -0.32 9.36 -1.26 -5.16 117.16 113.01 2aby n TYR 111 Ca -0.18 -0.83 -0.33 0.00 3.32 0.00 0.00 57.90 59.88 2aby n TYR 111 Cb 0.63 1.16 0.07 0.00 -0.63 0.00 0.00 39.34 40.57 2aby n TYR 111 CO 0.00 0.00 0.00 -0.51 0.22 0.00 0.00 176.86 176.57 2aby s ASP 112 N -0.39 4.65 0.00 2.98 1.11 -1.26 -4.85 116.67 118.91 2aby s ASP 112 Ca 0.25 2.08 0.00 0.00 0.18 0.00 0.00 52.55 55.06 2aby s ASP 112 Cb 0.23 -2.56 0.00 0.00 1.07 0.00 0.00 42.92 41.66 2aby s ASP 112 CO -0.12 -1.94 0.00 0.18 1.18 0.00 0.00 175.17 174.47 2aby n LEU 113 N -2.76 0.00 0.03 1.23 7.99 -1.26 -4.74 117.00 117.49 2aby n LEU 113 Ca 0.11 0.00 -0.01 0.00 -0.01 0.00 0.00 56.01 56.10 2aby n LEU 113 Cb 0.52 0.00 -0.08 0.00 -0.11 0.00 0.00 43.42 43.75 2aby n LEU 113 CO 0.49 0.00 -0.25 -0.50 -1.51 0.00 0.00 177.39 175.61 2aby h TRP 114 N 0.00 0.00 -4.59 -1.77 4.06 -1.99 -3.49 115.95 108.18 2aby h TRP 114 Ca 0.00 0.00 -0.20 0.00 2.06 0.00 0.00 58.89 60.75 2aby h TRP 114 Cb 0.00 0.00 0.13 0.00 -1.00 0.00 0.00 29.16 28.29 2aby h TRP 114 CO 0.00 0.62 -0.56 0.39 -3.56 0.00 0.00 178.44 175.34 2aby n GLU 115 N -2.94 -3.23 0.00 0.49 1.02 -1.26 -4.80 120.64 109.93 2aby n GLU 115 Ca -0.09 0.59 0.00 0.00 -0.02 0.00 0.00 57.16 57.64 2aby n GLU 115 Cb 0.86 -4.67 0.00 0.00 -0.02 0.00 0.00 31.44 27.60 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 -2.57 -0.03 0.19 1.62 8.00 -1.26 -4.91 116.55 117.59 2aby n ASP 116 Ca -0.13 0.36 -0.08 0.00 0.71 0.00 0.00 54.79 55.65 2aby n ASP 116 Cb 0.60 0.39 -0.04 0.00 -0.02 0.00 0.00 41.12 42.05 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 -0.50 0.00 -0.24 0.13 -1.87 -3.15 132.00 126.37 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 0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.24 2aby h PRO 117 CO 0.00 -0.33 -0.03 0.44 -0.23 0.00 0.00 178.00 177.85 2aby n ILE 118 N -4.38 0.36 -0.13 -3.56 -0.00 -1.26 -2.43 119.36 107.95 2aby n ILE 118 Ca -0.06 -0.17 -0.11 0.00 -0.00 0.00 0.00 62.75 62.40 2aby n ILE 118 Cb 0.20 -0.53 -0.02 0.00 -0.00 0.00 0.00 39.64 39.30 2aby n ILE 118 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.55 176.30 2aby h TRP 119 N 0.00 0.85 0.00 4.28 7.01 -1.91 -3.42 115.95 122.76 2aby h TRP 119 Ca 0.00 -0.19 0.00 0.00 2.11 0.00 0.00 58.89 60.81 2aby h TRP 119 Cb 0.65 -0.21 0.00 0.00 -2.10 0.00 0.00 29.16 27.50 2aby h TRP 119 CO 0.00 0.90 0.00 1.04 -2.79 0.00 0.00 178.44 177.59 2aby n GLN 120 N -4.34 0.00 -3.86 2.65 3.00 -1.19 -4.95 117.38 108.69 2aby n GLN 120 Ca -0.02 0.00 -0.01 0.00 -0.01 0.00 0.00 57.00 56.96 2aby n GLN 120 Cb 0.37 -0.19 0.02 0.00 0.00 0.00 0.00 30.24 30.44 2aby n GLN 120 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.06 178.04 2aby n TYR 121 N -1.98 -1.06 0.00 1.08 9.36 -1.02 -5.10 117.16 118.44 2aby n TYR 121 Ca 0.00 -1.09 0.00 0.00 3.32 0.00 0.00 57.90 60.13 2aby n TYR 121 Cb 0.00 0.52 0.00 0.00 -0.63 0.00 0.00 39.34 39.23 2aby n TYR 121 CO 0.00 0.00 0.00 0.44 0.22 0.00 0.00 176.86 177.52