#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 -0.12 -0.05 2.12 10.64 -1.26 -4.87 117.38 123.84 2aby n GLN 2 Ca 0.00 0.01 -0.04 0.00 -1.83 0.00 0.00 57.00 55.14 2aby n GLN 2 Cb 0.00 -1.84 -0.01 0.00 -0.86 0.00 0.00 30.24 27.53 2aby n GLN 2 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.06 176.40 2aby n LYS 3 N -1.36 0.28 0.00 2.61 4.81 -1.26 -5.04 118.16 118.20 2aby n LYS 3 Ca 0.07 0.30 0.00 0.00 -0.87 0.00 0.00 58.31 57.82 2aby n LYS 3 Cb 0.53 -1.21 0.00 0.00 0.02 0.00 0.00 35.03 34.37 2aby n LYS 3 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2aby n GLY 4 N 1.60 1.05 3.45 3.14 0.00 -1.26 -4.94 105.19 108.22 2aby n GLY 4 Ca -0.06 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.22 -0.16 0.99 1.98 -1.26 -3.58 118.68 116.43 2aby s LEU 5 Ca 0.00 0.65 -0.12 0.00 -2.89 0.00 0.00 54.13 51.76 2aby s LEU 5 Cb 0.00 2.14 -0.05 0.00 0.66 0.00 0.00 46.19 48.94 2aby s LEU 5 CO 0.00 -0.50 0.25 -1.61 -1.89 0.00 0.00 176.35 172.60 2aby s GLU 6 N -0.97 4.18 -0.01 1.98 8.01 -1.26 -3.96 118.70 126.67 2aby s GLU 6 Ca -0.10 0.01 -0.03 0.00 0.01 0.00 0.00 54.97 54.86 2aby s GLU 6 Cb -0.02 -3.40 0.00 0.00 -4.31 0.00 0.00 34.13 26.40 2aby s GLU 6 CO 0.07 0.30 0.07 0.96 0.01 0.00 0.00 175.26 176.68 2aby s ILE 7 N 0.30 0.05 0.04 -1.63 -0.00 0.98 -5.00 121.20 115.94 2aby s ILE 7 Ca 0.14 -0.37 0.05 0.00 -0.00 0.00 0.00 60.65 60.47 2aby s ILE 7 Cb -0.13 -0.24 -0.02 0.00 -0.00 0.00 0.00 42.46 42.08 2aby s ILE 7 CO 0.03 -0.20 -0.14 0.00 -0.00 0.00 0.00 174.94 174.62 2aby s ALA 8 N -0.64 1.16 -0.19 2.27 0.00 -1.26 -0.83 121.76 122.26 2aby s ALA 8 Ca -0.07 -0.85 0.01 0.00 0.00 0.00 0.00 51.96 51.05 2aby s ALA 8 Cb -0.04 -0.17 0.03 0.00 0.00 0.00 0.00 23.12 22.94 2aby s ALA 8 CO 0.00 0.21 -0.18 0.12 0.00 0.00 0.00 175.76 175.91 2aby s PHE 9 N -0.92 2.84 -0.07 0.00 5.36 -0.18 -4.68 117.98 120.33 2aby s PHE 9 Ca 0.01 -1.76 -0.15 0.00 -0.96 0.00 0.00 56.93 54.07 2aby s PHE 9 Cb -0.08 -1.90 -0.05 0.00 -0.34 0.00 0.00 43.02 40.64 2aby s PHE 9 CO 0.01 -0.82 0.38 1.14 -1.46 0.00 0.00 175.22 174.48 2aby s GLN 10 N 1.26 4.06 -0.22 10.12 1.03 -0.77 -1.05 119.66 134.10 2aby s GLN 10 Ca 0.02 0.31 0.02 0.00 0.04 0.00 0.00 55.36 55.75 2aby s GLN 10 Cb -0.14 -3.31 0.05 0.00 0.03 0.00 0.00 33.01 29.63 2aby s GLN 10 CO -0.11 0.47 -0.13 0.95 -2.54 0.00 0.00 175.29 173.93 2aby s THR 11 N -0.34 1.96 0.00 3.63 -4.23 0.12 -4.82 115.64 111.97 2aby s THR 11 Ca 0.22 -1.27 0.00 0.00 -1.18 0.00 0.00 61.69 59.46 2aby s THR 11 Cb -0.15 -1.99 0.00 0.00 1.34 0.00 0.00 72.50 71.70 2aby s THR 11 CO 0.10 0.16 0.07 2.30 -0.54 0.00 0.00 174.62 176.71 2aby n ILE 12 N 4.56 0.00 -2.29 2.99 -6.64 -1.26 -1.37 119.36 115.35 2aby n ILE 12 Ca -0.16 -0.42 -0.07 0.00 -1.77 0.00 0.00 62.75 60.33 2aby n ILE 12 Cb 0.45 1.03 0.04 0.00 -1.44 0.00 0.00 39.64 39.72 2aby n ILE 12 CO 0.00 0.00 0.00 -0.46 -1.77 0.00 0.00 176.55 174.32 2aby n ASN 13 N -0.70 0.40 -4.96 7.28 6.94 -1.26 -5.00 115.26 117.95 2aby n ASN 13 Ca 0.00 -1.34 -0.20 0.00 -0.02 0.00 0.00 54.58 53.02 2aby n ASN 13 Cb 0.01 -0.21 -0.01 0.00 -2.36 0.00 0.00 39.78 37.20 2aby n ASN 13 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 2aby s GLY 14 N -3.28 1.53 -1.06 4.83 0.00 -1.26 -4.41 107.32 103.67 2aby s GLY 14 Ca 0.21 -1.44 -0.00 0.00 0.00 0.00 0.00 44.72 43.49 2aby s GLY 14 CO 0.14 -1.38 0.00 1.04 0.00 0.00 0.00 173.10 172.90 2aby n LEU 15 N -1.52 -1.16 0.15 0.66 4.77 -1.26 -4.81 117.00 113.83 2aby n LEU 15 Ca -0.03 0.19 0.09 0.00 -0.03 0.00 0.00 56.01 56.24 2aby n LEU 15 Cb 0.58 -2.15 0.06 0.00 -2.33 0.00 0.00 43.42 39.58 2aby n LEU 15 CO 0.43 -0.13 0.38 -2.24 -1.33 0.00 0.00 177.39 174.50 2aby h ASP 16 N -0.01 0.00 -0.99 -1.43 3.04 -2.01 -3.32 116.42 111.71 2aby h ASP 16 Ca -0.29 0.00 0.27 0.00 -3.24 0.00 0.00 57.03 53.77 2aby h ASP 16 Cb 1.22 0.00 -0.06 0.00 -1.04 0.00 0.00 39.33 39.45 2aby h ASP 16 CO 0.35 0.13 0.69 -0.33 -2.04 0.00 0.00 179.24 178.04 2aby h GLU 17 N 0.00 0.15 -0.44 4.15 5.08 -1.92 0.75 114.58 122.34 2aby h GLU 17 Ca -0.02 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.37 2aby h GLU 17 Cb 1.12 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.30 2aby h GLU 17 CO 0.01 0.10 0.22 0.66 -1.00 0.00 0.00 179.01 179.01 2aby h SER 18 N 0.15 0.32 -0.11 1.42 4.64 -1.97 0.13 113.55 118.13 2aby h SER 18 Ca 0.50 0.02 -0.14 0.00 -0.47 0.00 0.00 61.79 61.70 2aby h SER 18 Cb 1.70 -0.04 0.01 0.00 -0.31 0.00 0.00 62.40 63.75 2aby h SER 18 CO -0.10 0.23 -0.49 0.25 -0.87 0.00 0.00 176.83 175.86 2aby h LEU 19 N 0.45 0.63 -0.13 5.97 6.46 -1.14 -0.50 115.31 127.04 2aby h LEU 19 Ca 0.19 -0.63 0.03 0.00 -0.12 0.00 0.00 57.88 57.35 2aby h LEU 19 Cb 0.09 -0.18 -0.03 0.00 -0.73 0.00 0.00 40.66 39.81 2aby h LEU 19 CO -0.13 1.15 -0.05 0.58 -0.62 0.00 0.00 178.44 179.37 2aby h VAL 20 N 0.14 0.82 -0.09 1.05 2.07 -1.08 0.38 116.25 119.54 2aby h VAL 20 Ca -0.03 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.45 2aby h VAL 20 Cb 1.13 0.82 -0.00 0.00 -1.52 0.00 0.00 31.29 31.72 2aby h VAL 20 CO 0.10 0.00 -0.09 1.56 0.02 0.00 0.00 177.57 179.16 2aby h GLN 21 N -0.03 0.22 0.08 1.57 4.20 -0.82 -1.05 115.11 119.28 2aby h GLN 21 Ca 0.07 -0.12 0.02 0.00 0.06 0.00 0.00 58.65 58.68 2aby h GLN 21 Cb 0.13 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.89 2aby h GLN 21 CO -0.15 0.64 -0.19 0.00 -0.67 0.00 0.00 178.83 178.47 2aby h ALA 22 N 0.57 -0.29 -0.35 3.87 0.00 -0.94 0.13 119.26 122.25 2aby h ALA 22 Ca 0.01 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 2aby h ALA 22 Cb 0.60 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 2aby h ALA 22 CO 0.02 -0.70 0.03 1.37 0.00 0.00 0.00 179.25 179.97 2aby h LEU 23 N -0.34 0.50 0.25 0.00 8.10 -0.31 -0.60 115.31 122.91 2aby h LEU 23 Ca 0.03 -0.08 -0.01 0.00 0.11 0.00 0.00 57.88 57.93 2aby h LEU 23 Cb 0.37 -0.13 0.00 0.00 -0.44 0.00 0.00 40.66 40.47 2aby h LEU 23 CO -0.12 0.55 -0.12 0.00 -4.11 0.00 0.00 178.44 174.63 2aby h ALA 24 N 1.52 -0.34 -0.49 0.17 0.00 -0.56 -0.96 119.26 118.60 2aby h ALA 24 Ca 0.12 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2aby h ALA 24 Cb 0.29 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2aby h ALA 24 CO 0.01 -0.55 0.18 0.78 0.00 0.00 0.00 179.25 179.67 2aby h GLY 25 N -0.62 0.80 0.98 0.00 0.00 -0.65 -1.61 103.07 101.97 2aby h GLY 25 Ca -0.03 -0.45 -0.00 0.00 0.00 0.00 0.00 47.33 46.84 2aby h GLY 25 CO 0.06 0.42 0.20 -2.08 0.00 0.00 0.00 176.54 175.14 2aby h VAL 26 N 0.65 1.11 0.37 4.60 2.07 -1.14 -0.41 116.25 123.51 2aby h VAL 26 Ca 0.16 -0.26 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 2aby h VAL 26 Cb 0.22 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 2aby h VAL 26 CO -0.01 0.11 -0.18 0.71 0.02 0.00 0.00 177.57 178.22 2aby h THR 27 N 0.42 0.64 -0.84 2.57 1.35 -1.06 0.36 112.91 116.35 2aby h THR 27 Ca 0.12 -0.08 0.08 0.00 -0.55 0.00 0.00 66.41 65.98 2aby h THR 27 Cb 0.01 0.69 -0.06 0.00 -1.73 0.00 0.00 68.15 67.06 2aby h THR 27 CO -0.02 0.02 0.55 0.00 -0.25 0.00 0.00 175.52 175.81 2aby h ALA 28 N 0.08 1.63 -0.03 6.62 0.00 -1.22 0.20 119.26 126.54 2aby h ALA 28 Ca -0.05 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.65 2aby h ALA 28 Cb 0.41 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2aby h ALA 28 CO 0.08 0.22 -0.81 0.77 0.00 0.00 0.00 179.25 179.51 2aby h SER 29 N 0.88 0.36 1.57 0.00 0.02 -0.78 -3.06 113.55 112.55 2aby h SER 29 Ca 0.38 -0.27 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 2aby h SER 29 Cb 0.31 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.74 2aby h SER 29 CO -0.14 1.03 0.00 -0.78 -1.14 0.00 0.00 176.83 175.80 2aby h ASP 30 N 0.18 0.00 -2.53 3.07 3.58 0.85 -3.35 116.42 118.22 2aby h ASP 30 Ca -0.04 0.00 -0.67 0.00 0.42 0.00 0.00 57.03 56.74 2aby h ASP 30 Cb 1.41 0.00 -0.38 0.00 1.72 0.00 0.00 39.33 42.08 2aby h ASP 30 CO 0.13 0.00 -0.19 0.49 -2.88 0.00 0.00 179.24 176.80 2aby n PHE 31 N -2.66 3.33 0.36 0.28 3.01 0.59 -3.90 117.46 118.47 2aby n PHE 31 Ca 0.04 -3.75 0.14 0.00 1.01 0.00 0.00 57.45 54.88 2aby n PHE 31 Cb 0.44 -0.80 0.56 0.00 -0.01 0.00 0.00 39.48 39.67 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 4.73 0.00 0.00 -1.08 0.13 -1.71 -2.77 132.00 131.30 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 0.96 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.48 2aby n ASP 33 N -2.48 0.22 -0.97 1.44 9.92 -1.26 -4.83 116.55 118.58 2aby n ASP 33 Ca 0.02 0.57 -0.13 0.00 -0.53 0.00 0.00 54.79 54.72 2aby n ASP 33 Cb 0.24 -0.61 -0.05 0.00 -0.64 0.00 0.00 41.12 40.06 2aby n ASP 33 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2aby n LEU 34 N -1.76 -0.86 -1.58 0.64 4.77 -1.04 -4.86 117.00 112.31 2aby n LEU 34 Ca 0.02 0.31 0.05 0.00 -0.03 0.00 0.00 56.01 56.37 2aby n LEU 34 Cb 0.13 -2.07 0.32 0.00 -2.33 0.00 0.00 43.42 39.47 2aby n LEU 34 CO 0.12 -0.73 0.74 -0.90 -1.33 0.00 0.00 177.39 175.28 2aby n ASP 35 N -0.30 4.68 -4.35 -1.43 5.68 -1.26 -4.85 116.55 114.71 2aby n ASP 35 Ca -0.13 -2.72 -0.36 0.00 -0.50 0.00 0.00 54.79 51.09 2aby n ASP 35 Cb 0.45 -0.64 -0.13 0.00 -1.14 0.00 0.00 41.12 39.65 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 -2.36 3.74 -0.44 2.12 -1.16 -1.26 -4.03 121.20 117.81 2aby s ILE 36 Ca 0.42 -0.47 -0.08 0.00 -0.51 0.00 0.00 60.65 60.02 2aby s ILE 36 Cb 0.32 -2.78 0.10 0.00 0.61 0.00 0.00 42.46 40.72 2aby s ILE 36 CO 0.13 0.32 0.29 -0.54 -2.81 0.00 0.00 174.94 172.32 2aby s LYS 37 N 1.51 2.42 0.24 3.50 -0.14 -0.46 -5.02 119.74 121.80 2aby s LYS 37 Ca 0.05 -1.68 0.11 0.00 -1.36 0.00 0.00 55.97 53.08 2aby s LYS 37 Cb -0.15 -3.80 -0.05 0.00 -1.68 0.00 0.00 37.83 32.15 2aby s LYS 37 CO -0.00 -1.09 -0.19 1.52 -0.76 0.00 0.00 175.35 174.83 2aby s TYR 38 N 1.33 2.10 -0.28 3.18 1.13 -1.26 -0.07 117.35 123.49 2aby s TYR 38 Ca 0.05 -0.41 -0.22 0.00 -1.41 0.00 0.00 57.07 55.09 2aby s TYR 38 Cb -0.25 -0.94 0.08 0.00 -1.10 0.00 0.00 41.96 39.75 2aby s TYR 38 CO -0.01 0.57 0.74 -0.80 -2.51 0.00 0.00 175.55 173.55 2aby s ASN 39 N -3.32 -0.79 -0.21 -0.18 -0.87 -0.09 -4.99 114.94 104.49 2aby s ASN 39 Ca 0.26 1.41 -0.03 0.00 -1.57 0.00 0.00 52.86 52.93 2aby s ASN 39 Cb -0.04 1.39 -0.00 0.00 -0.02 0.00 0.00 41.25 42.58 2aby s ASN 39 CO 0.12 -0.23 -0.08 -0.63 -2.57 0.00 0.00 177.10 173.70 2aby s ILE 40 N 0.84 3.09 0.07 0.60 1.01 -1.26 -0.87 121.20 124.68 2aby s ILE 40 Ca -0.04 -0.59 0.06 0.00 0.00 0.00 0.00 60.65 60.08 2aby s ILE 40 Cb -0.05 -2.38 -0.03 0.00 0.01 0.00 0.00 42.46 40.01 2aby s ILE 40 CO -0.07 0.45 -0.16 0.72 0.00 0.00 0.00 174.94 175.88 2aby s PHE 41 N 1.36 1.38 -0.25 3.97 -0.12 -0.56 -1.90 117.98 121.86 2aby s PHE 41 Ca 0.04 -0.43 -0.08 0.00 -0.05 0.00 0.00 56.93 56.41 2aby s PHE 41 Cb -0.14 -0.78 -0.04 0.00 -0.63 0.00 0.00 43.02 41.44 2aby s PHE 41 CO -0.05 0.09 0.10 -1.17 -0.05 0.00 0.00 175.22 174.15 2aby s LEU 42 N -1.68 3.68 -0.15 -1.99 2.96 0.19 -1.38 118.68 120.31 2aby s LEU 42 Ca 0.01 -0.09 -0.07 0.00 -0.22 0.00 0.00 54.13 53.75 2aby s LEU 42 Cb -0.10 -1.99 -0.04 0.00 0.50 0.00 0.00 46.19 44.56 2aby s LEU 42 CO 0.03 0.00 0.10 0.68 -1.32 0.00 0.00 176.35 175.84 2aby s VAL 43 N 1.42 5.18 -0.24 1.68 -7.23 1.00 -0.94 120.40 121.26 2aby s VAL 43 Ca 0.06 0.09 -0.03 0.00 -1.81 0.00 0.00 61.98 60.29 2aby s VAL 43 Cb -0.15 -3.29 0.08 0.00 0.56 0.00 0.00 36.38 33.58 2aby s VAL 43 CO 0.05 0.54 0.08 1.51 -0.31 0.00 0.00 175.10 176.97 2aby s ASP 44 N -0.36 3.25 0.08 4.85 -4.77 -1.25 -0.31 116.67 118.16 2aby s ASP 44 Ca 0.10 -1.10 -0.14 0.00 -3.30 0.00 0.00 52.55 48.12 2aby s ASP 44 Cb -0.12 -0.57 0.02 0.00 -1.09 0.00 0.00 42.92 41.17 2aby s ASP 44 CO 0.01 -0.37 0.33 -0.76 0.70 0.00 0.00 175.17 175.09 2aby s LEU 45 N 1.88 0.75 -1.72 2.11 2.01 -0.69 -4.89 118.68 118.13 2aby s LEU 45 Ca 0.04 -0.30 0.00 0.00 0.01 0.00 0.00 54.13 53.88 2aby s LEU 45 Cb -0.17 1.52 0.00 0.00 0.01 0.00 0.00 46.19 47.55 2aby s LEU 45 CO -0.18 -0.73 0.00 -1.22 1.01 0.00 0.00 176.35 175.22 2aby n TYR 46 N 0.15 -0.34 -0.92 0.29 4.01 -1.26 -1.31 117.16 117.78 2aby n TYR 46 Ca -0.17 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.57 2aby n TYR 46 Cb 0.62 -3.21 0.00 0.00 -0.31 0.00 0.00 39.34 36.43 2aby n TYR 46 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2aby n GLY 47 N -0.90 0.68 3.39 2.72 0.00 -1.26 -4.99 105.19 104.83 2aby n GLY 47 Ca -0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.50 2aby n GLY 47 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2aby s GLN 48 N -0.26 3.05 -0.17 1.61 -0.21 -0.43 -5.11 119.66 118.14 2aby s GLN 48 Ca 0.00 -0.71 -0.06 0.00 0.02 0.00 0.00 55.36 54.60 2aby s GLN 48 Cb 0.00 -2.51 -0.04 0.00 1.00 0.00 0.00 33.01 31.47 2aby s GLN 48 CO 0.00 0.34 0.04 0.15 -2.12 0.00 0.00 175.29 173.70 2aby s LYS 49 N -0.00 3.86 0.03 2.91 1.02 -1.26 -1.71 119.74 124.59 2aby s LYS 49 Ca -0.04 -0.38 -0.06 0.00 0.02 0.00 0.00 55.97 55.50 2aby s LYS 49 Cb -0.14 -3.12 -0.01 0.00 -0.52 0.00 0.00 37.83 34.03 2aby s LYS 49 CO 0.04 0.29 0.11 0.71 -0.92 0.00 0.00 175.35 175.58 2aby s TYR 50 N 0.29 0.15 -0.12 3.18 2.02 0.58 -5.01 117.35 118.45 2aby s TYR 50 Ca 0.02 -0.40 -0.02 0.00 -0.37 0.00 0.00 57.07 56.30 2aby s TYR 50 Cb -0.13 -0.11 -0.03 0.00 -0.40 0.00 0.00 41.96 41.29 2aby s TYR 50 CO 0.01 -0.34 -0.04 -0.06 -1.57 0.00 0.00 175.55 173.54 2aby s PHE 51 N -2.26 3.01 0.05 2.71 0.40 -0.47 -0.00 117.98 121.42 2aby s PHE 51 Ca -0.08 -0.13 0.05 0.00 -0.60 0.00 0.00 56.93 56.17 2aby s PHE 51 Cb -0.03 -1.85 -0.02 0.00 0.51 0.00 0.00 43.02 41.63 2aby s PHE 51 CO -0.03 0.16 -0.13 1.03 0.70 0.00 0.00 175.22 176.95 2aby s ARG 52 N -0.21 0.83 -0.03 0.44 0.52 -0.48 0.16 118.95 120.18 2aby s ARG 52 Ca 0.04 -0.81 0.05 0.00 -0.52 0.00 0.00 55.73 54.48 2aby s ARG 52 Cb -0.13 -0.81 -0.01 0.00 0.52 0.00 0.00 34.95 34.53 2aby s ARG 52 CO 0.02 0.19 -0.16 0.96 0.02 0.00 0.00 175.30 176.33 2aby s ILE 53 N -1.04 1.33 -0.13 1.52 -5.25 -0.21 -1.49 121.20 115.93 2aby s ILE 53 Ca -0.01 -0.69 0.01 0.00 -0.99 0.00 0.00 60.65 58.98 2aby s ILE 53 Cb -0.09 -1.13 -0.00 0.00 2.95 0.00 0.00 42.46 44.19 2aby s ILE 53 CO 0.01 0.38 -0.18 -0.22 -1.79 0.00 0.00 174.94 173.15 2aby s LEU 54 N -0.13 2.41 -0.11 0.37 0.20 -0.05 -1.01 118.68 120.35 2aby s LEU 54 Ca 0.01 -0.46 0.00 0.00 0.69 0.00 0.00 54.13 54.37 2aby s LEU 54 Cb -0.09 -1.52 0.02 0.00 -0.43 0.00 0.00 46.19 44.17 2aby s LEU 54 CO 0.01 0.14 -0.09 0.12 -0.29 0.00 0.00 176.35 176.24 2aby s PHE 55 N 0.50 1.54 0.06 5.38 5.36 -0.01 -0.92 117.98 129.89 2aby s PHE 55 Ca -0.12 -0.75 0.03 0.00 -0.96 0.00 0.00 56.93 55.13 2aby s PHE 55 Cb -0.16 -1.24 -0.03 0.00 -0.34 0.00 0.00 43.02 41.25 2aby s PHE 55 CO 0.05 -0.49 -0.09 -1.14 -1.46 0.00 0.00 175.22 172.09 2aby s GLN 56 N 1.53 0.65 0.42 10.12 0.74 0.90 -0.01 119.66 134.00 2aby s GLN 56 Ca 0.02 -0.92 0.07 0.00 0.05 0.00 0.00 55.36 54.59 2aby s GLN 56 Cb -0.13 -0.38 -0.05 0.00 1.10 0.00 0.00 33.01 33.55 2aby s GLN 56 CO -0.07 0.06 0.17 -1.54 -0.55 0.00 0.00 175.29 173.36 2aby s SER 57 N -1.92 4.39 -0.06 6.67 1.04 -1.25 -1.35 113.70 121.21 2aby s SER 57 Ca -0.04 -1.11 0.18 0.00 0.48 0.00 0.00 55.95 55.46 2aby s SER 57 Cb -0.07 -0.46 -0.22 0.00 0.10 0.00 0.00 66.02 65.37 2aby s SER 57 CO -0.00 -0.55 0.47 1.17 0.98 0.00 0.00 173.24 175.31 2aby n LYS 58 N -1.23 0.65 0.00 4.02 4.81 -1.26 -4.03 118.16 121.14 2aby n LYS 58 Ca -0.01 0.06 0.12 0.00 -0.87 0.00 0.00 58.31 57.61 2aby n LYS 58 Cb 0.65 -1.65 0.66 0.00 0.02 0.00 0.00 35.03 34.71 2aby n LYS 58 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 2aby n LYS 59 N -2.72 0.47 -1.44 1.64 3.00 -1.26 -4.83 118.16 113.02 2aby n LYS 59 Ca -0.17 0.04 -0.47 0.00 -0.00 0.00 0.00 58.31 57.71 2aby n LYS 59 Cb 0.92 -1.50 -0.11 0.00 0.00 0.00 0.00 35.03 34.34 2aby n LYS 59 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 2aby n LEU 60 N -1.22 1.09 -4.62 3.14 -0.00 -1.26 -4.64 117.00 109.50 2aby n LEU 60 Ca 0.14 0.25 -0.30 0.00 -0.00 0.00 0.00 56.01 56.09 2aby n LEU 60 Cb 0.17 -1.09 -0.09 0.00 -0.00 0.00 0.00 43.42 42.41 2aby n LEU 60 CO 0.18 -0.86 -0.38 -0.94 -0.00 0.00 0.00 177.39 175.39 2aby s SER 61 N 8.41 4.65 0.12 1.96 1.04 -1.23 -4.97 113.70 123.67 2aby s SER 61 Ca 1.21 -0.26 -0.12 0.00 0.48 0.00 0.00 55.95 57.25 2aby s SER 61 Cb -1.07 -1.01 -0.10 0.00 0.10 0.00 0.00 66.02 63.94 2aby s SER 61 CO 0.50 0.20 1.38 -0.33 0.98 0.00 0.00 173.24 175.97 2aby h GLU 62 N 3.76 0.85 0.00 4.02 3.07 -1.93 -3.45 114.58 120.89 2aby h GLU 62 Ca -0.48 -0.56 -0.41 0.00 -0.50 0.00 0.00 59.36 57.41 2aby h GLU 62 Cb 1.17 0.08 0.19 0.00 -0.84 0.00 0.00 28.75 29.34 2aby h GLU 62 CO 0.55 1.19 0.19 1.28 -1.40 0.00 0.00 179.01 180.83 2aby n LEU 63 N -4.02 0.00 -2.70 1.33 7.99 -1.26 -4.68 117.00 113.66 2aby n LEU 63 Ca -0.05 -1.25 -0.04 0.00 -0.01 0.00 0.00 56.01 54.66 2aby n LEU 63 Cb 0.64 -1.02 0.01 0.00 -0.11 0.00 0.00 43.42 42.94 2aby n LEU 63 CO 0.50 -2.00 0.14 1.57 -1.51 0.00 0.00 177.39 176.10 2aby n HIS 64 N -4.63 -2.77 0.43 -1.77 -0.00 -1.26 -4.89 115.22 100.33 2aby n HIS 64 Ca 0.16 1.09 0.10 0.00 0.46 0.00 0.00 57.72 59.53 2aby n HIS 64 Cb 0.59 -3.69 0.42 0.00 -0.12 0.00 0.00 29.99 27.19 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 -0.85 0.12 0.12 1.57 -0.04 -1.26 -2.46 135.00 132.19 2aby n PRO 65 Ca 0.06 0.36 -0.02 0.00 -0.04 0.00 0.00 63.50 63.86 2aby n PRO 65 Cb 0.43 -1.73 0.07 0.00 -0.04 0.00 0.00 33.50 32.23 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 -0.19 0.54 4.57 -1.99 -3.11 114.58 114.41 2aby h GLU 66 Ca 0.00 0.00 -0.21 0.00 -1.18 0.00 0.00 59.36 57.97 2aby h GLU 66 Cb 0.31 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.91 2aby h GLU 66 CO 0.00 0.71 -0.69 0.93 -1.18 0.00 0.00 179.01 178.78 2aby h GLU 67 N 0.00 0.80 -0.65 1.92 5.08 -1.83 -1.51 114.58 118.39 2aby h GLU 67 Ca -0.01 -0.61 -0.02 0.00 -1.00 0.00 0.00 59.36 57.73 2aby h GLU 67 Cb 1.36 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 30.69 2aby h GLU 67 CO 0.09 1.22 0.34 0.00 -1.00 0.00 0.00 179.01 179.66 2aby h ARG 68 N 0.55 0.93 -0.18 2.33 3.08 -1.64 -0.31 114.38 119.12 2aby h ARG 68 Ca -0.03 -0.12 -0.18 0.00 0.07 0.00 0.00 59.98 59.71 2aby h ARG 68 Cb 1.31 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 31.19 2aby h ARG 68 CO 0.15 0.72 -0.63 1.57 -1.07 0.00 0.00 179.97 180.70 2aby h LYS 69 N 0.90 0.65 0.23 0.04 2.10 -1.56 -1.53 116.57 117.40 2aby h LYS 69 Ca 0.23 -0.46 -0.01 0.00 -2.00 0.00 0.00 60.65 58.41 2aby h LYS 69 Cb 0.08 0.07 0.00 0.00 -0.90 0.00 0.00 32.23 31.48 2aby h LYS 69 CO -0.03 1.08 -0.11 -0.22 -2.00 0.00 0.00 179.45 178.16 2aby h LYS 70 N 0.48 -0.30 -0.72 0.07 3.64 -0.99 -1.51 116.57 117.23 2aby h LYS 70 Ca -0.01 0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.33 2aby h LYS 70 Cb 1.21 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 33.07 2aby h LYS 70 CO 0.12 -0.07 0.22 -0.39 -2.27 0.00 0.00 179.45 177.06 2aby h VAL 71 N -0.48 1.26 0.26 2.00 -1.51 -1.12 0.29 116.25 116.94 2aby h VAL 71 Ca -0.03 -0.91 -0.00 0.00 -1.23 0.00 0.00 66.70 64.53 2aby h VAL 71 Cb 0.36 0.47 -0.01 0.00 -2.13 0.00 0.00 31.29 29.98 2aby h VAL 71 CO 0.05 0.35 -0.20 0.03 -1.23 0.00 0.00 177.57 176.58 2aby h ARG 72 N 1.08 -0.45 -0.15 5.19 2.47 -1.19 0.17 114.38 121.49 2aby h ARG 72 Ca 0.23 0.03 -0.15 0.00 -1.26 0.00 0.00 59.98 58.84 2aby h ARG 72 Cb 0.31 0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 28.72 2aby h ARG 72 CO -0.01 -0.30 -0.52 1.05 0.56 0.00 0.00 179.97 180.75 2aby h GLU 73 N -0.47 0.43 0.22 0.04 4.11 -1.19 -1.12 114.58 116.60 2aby h GLU 73 Ca -0.02 -0.26 -0.01 0.00 0.07 0.00 0.00 59.36 59.14 2aby h GLU 73 Cb 0.41 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.68 2aby h GLU 73 CO -0.00 0.85 -0.11 -0.22 0.07 0.00 0.00 179.01 179.60 2aby h LYS 74 N 0.34 -0.28 -0.26 1.06 1.63 -0.18 -1.15 116.57 117.73 2aby h LYS 74 Ca 0.01 0.02 -0.12 0.00 -0.85 0.00 0.00 60.65 59.71 2aby h LYS 74 Cb 1.03 0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.71 2aby h LYS 74 CO 0.09 -0.10 -0.33 0.27 -3.45 0.00 0.00 179.45 175.93 2aby h PHE 75 N -0.41 0.64 -0.02 1.91 -5.15 -0.69 -1.24 116.94 112.00 2aby h PHE 75 Ca -0.03 -0.16 0.00 0.00 -0.20 0.00 0.00 57.97 57.58 2aby h PHE 75 Cb 0.31 -0.15 -0.00 0.00 0.22 0.00 0.00 35.95 36.33 2aby h PHE 75 CO -0.03 0.82 0.00 0.22 -2.00 0.00 0.00 178.31 177.32 2aby h ASP 76 N 0.47 -0.01 -0.04 -0.68 1.82 -1.06 -0.78 116.42 116.15 2aby h ASP 76 Ca 0.05 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.69 2aby h ASP 76 Cb 0.80 0.01 -0.00 0.00 0.68 0.00 0.00 39.33 40.82 2aby h ASP 76 CO 0.07 -0.00 -0.02 -0.33 -1.61 0.00 0.00 179.24 177.34 2aby h GLU 77 N 0.01 0.08 -0.92 0.28 4.39 -1.17 -1.51 114.58 115.74 2aby h GLU 77 Ca 0.01 -0.04 0.19 0.00 0.34 0.00 0.00 59.36 59.86 2aby h GLU 77 Cb 0.01 -0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 28.58 2aby h GLU 77 CO -0.01 0.49 0.60 -0.91 -1.16 0.00 0.00 179.01 178.02 2aby h ASN 78 N -0.34 0.51 0.02 1.42 2.35 -1.17 0.41 115.58 118.79 2aby h ASN 78 Ca 0.01 0.05 -0.19 0.00 -0.55 0.00 0.00 56.30 55.61 2aby h ASN 78 Cb 0.47 -0.04 0.02 0.00 0.05 0.00 0.00 38.32 38.81 2aby h ASN 78 CO 0.01 0.21 -0.77 -1.28 -1.65 0.00 0.00 177.43 173.95 2aby h SER 79 N 0.51 0.64 0.59 5.81 0.87 -1.05 -3.14 113.55 117.79 2aby h SER 79 Ca 0.48 -0.78 0.00 0.00 -1.23 0.00 0.00 61.79 60.27 2aby h SER 79 Cb 1.05 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.81 2aby h SER 79 CO -0.21 1.34 0.00 -2.11 -0.53 0.00 0.00 176.83 175.32 2aby n ARG 80 N -4.09 0.10 -1.14 2.24 -4.01 -0.41 -4.87 116.66 104.48 2aby n ARG 80 Ca -0.11 0.13 -0.37 0.00 -1.04 0.00 0.00 57.85 56.46 2aby n ARG 80 Cb 0.76 -1.50 0.04 0.00 -3.04 0.00 0.00 32.46 28.72 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 -1.43 0.05 -1.05 2.89 2.81 0.13 -4.91 117.12 115.61 2aby n MET 81 Ca 0.07 0.03 -0.29 0.00 -1.81 0.00 0.00 57.70 55.69 2aby n MET 81 Cb 0.21 -1.22 0.16 0.00 -0.71 0.00 0.00 33.22 31.66 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 -1.88 0.79 0.34 0.03 -0.21 -1.26 -4.78 119.66 112.70 2aby s GLN 82 Ca 0.53 0.85 0.04 0.00 0.02 0.00 0.00 55.36 56.80 2aby s GLN 82 Cb -0.34 -1.75 0.63 0.00 1.00 0.00 0.00 33.01 32.55 2aby s GLN 82 CO 0.71 -2.57 1.90 1.88 -2.12 0.00 0.00 175.29 175.09 2aby h TYR 83 N -1.79 0.57 -0.04 0.91 0.05 -1.98 -1.13 116.97 113.56 2aby h TYR 83 Ca -0.51 -0.04 0.04 0.00 0.05 0.00 0.00 58.73 58.26 2aby h TYR 83 Cb 1.30 -0.17 -0.05 0.00 1.01 0.00 0.00 36.73 38.82 2aby h TYR 83 CO 0.39 0.52 -0.25 0.77 -1.05 0.00 0.00 178.16 178.54 2aby h SER 84 N 0.54 -0.74 -0.23 3.88 0.02 -1.98 0.32 113.55 115.36 2aby h SER 84 Ca 0.12 0.11 -0.14 0.00 -0.84 0.00 0.00 61.79 61.04 2aby h SER 84 Cb 0.26 0.31 0.00 0.00 0.14 0.00 0.00 62.40 63.11 2aby h SER 84 CO 0.00 -0.31 -0.40 -0.08 -1.14 0.00 0.00 176.83 174.90 2aby h GLU 85 N -0.36 0.68 -0.88 3.45 4.81 -1.89 0.27 114.58 120.66 2aby h GLU 85 Ca 0.07 -0.42 0.08 0.00 -0.13 0.00 0.00 59.36 58.96 2aby h GLU 85 Cb 0.47 0.05 -0.06 0.00 0.63 0.00 0.00 28.75 29.83 2aby h GLU 85 CO -0.25 1.04 0.57 1.25 -0.73 0.00 0.00 179.01 180.89 2aby h LEU 86 N 0.39 0.83 0.16 1.64 7.12 -0.91 0.33 115.31 124.87 2aby h LEU 86 Ca 0.01 0.01 -0.31 0.00 0.13 0.00 0.00 57.88 57.73 2aby h LEU 86 Cb 1.00 -0.16 0.01 0.00 -0.53 0.00 0.00 40.66 40.97 2aby h LEU 86 CO 0.09 0.52 -1.54 0.24 -0.13 0.00 0.00 178.44 177.61 2aby h MET 87 N 0.93 0.33 0.01 1.25 2.86 -0.31 -3.24 114.93 116.77 2aby h MET 87 Ca 0.39 -0.57 -0.00 0.00 -2.06 0.00 0.00 59.70 57.46 2aby h MET 87 Cb 0.29 0.21 0.00 0.00 0.06 0.00 0.00 31.60 32.16 2aby h MET 87 CO -0.15 1.27 -0.01 1.15 1.06 0.00 0.00 176.91 180.23 2aby h THR 88 N -0.10 1.00 0.00 2.22 2.02 -0.13 0.41 112.91 118.34 2aby h THR 88 Ca -0.31 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 66.82 2aby h THR 88 Cb 1.93 1.03 0.00 0.00 -1.74 0.00 0.00 68.15 69.37 2aby h THR 88 CO 0.13 0.01 0.00 0.29 0.37 0.00 0.00 175.52 176.32 2aby n LYS 89 N -5.09 0.17 -0.13 6.66 4.01 0.11 0.44 118.16 124.33 2aby n LYS 89 Ca -0.07 0.17 -0.27 0.00 -0.51 0.00 0.00 58.31 57.63 2aby n LYS 89 Cb 0.05 -1.50 -0.10 0.00 -0.51 0.00 0.00 35.03 32.97 2aby n LYS 89 CO 0.00 0.00 0.00 0.98 -1.11 0.00 0.00 177.40 177.27 2aby n TYR 90 N -1.30 0.00 -0.11 2.13 9.36 -0.49 -4.30 117.16 122.45 2aby n TYR 90 Ca 0.06 0.00 -0.20 0.00 3.32 0.00 0.00 57.90 61.08 2aby n TYR 90 Cb 0.11 -0.97 -0.08 0.00 -0.63 0.00 0.00 39.34 37.78 2aby n TYR 90 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 2aby n HIS 91 N -4.06 0.40 0.33 2.98 8.25 0.13 -4.08 115.22 119.17 2aby n HIS 91 Ca -0.52 0.17 0.20 0.00 -0.26 0.00 0.00 57.72 57.31 2aby n HIS 91 Cb 0.89 -0.89 1.06 0.00 1.12 0.00 0.00 29.99 32.17 2aby n HIS 91 CO 0.00 0.00 0.00 0.22 0.64 0.00 0.00 176.34 177.20 2aby h ASP 92 N -1.00 0.00 -0.05 0.41 3.58 -0.13 0.51 116.42 119.73 2aby h ASP 92 Ca -0.37 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.08 2aby h ASP 92 Cb 1.25 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.30 2aby h ASP 92 CO -0.22 0.00 0.00 0.18 -2.88 0.00 0.00 179.24 176.32 2aby n LEU 93 N -3.05 1.67 -0.31 2.28 4.77 -0.65 -4.43 117.00 117.27 2aby n LEU 93 Ca -0.02 -0.59 0.02 0.00 -0.03 0.00 0.00 56.01 55.39 2aby n LEU 93 Cb 0.19 -0.02 0.07 0.00 -2.33 0.00 0.00 43.42 41.33 2aby n LEU 93 CO 0.18 0.29 0.52 0.29 -1.33 0.00 0.00 177.39 177.34 2aby n LYS 94 N 0.31 -0.14 0.04 3.23 5.02 0.18 0.11 118.16 126.90 2aby n LYS 94 Ca 0.18 1.31 -0.19 0.00 -2.02 0.00 0.00 58.31 57.58 2aby n LYS 94 Cb 0.37 -1.94 -0.12 0.00 -0.02 0.00 0.00 35.03 33.31 2aby n LYS 94 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2aby h LYS 95 N 0.00 0.43 -1.30 1.97 1.79 -1.81 -3.27 116.57 114.38 2aby h LYS 95 Ca 0.34 -0.55 -0.20 0.00 -2.18 0.00 0.00 60.65 58.07 2aby h LYS 95 Cb 0.55 0.18 -0.10 0.00 -1.58 0.00 0.00 32.23 31.28 2aby h LYS 95 CO -0.85 1.21 0.25 1.04 -1.08 0.00 0.00 179.45 180.02 2aby n GLN 96 N -4.10 1.48 0.00 3.15 1.13 0.83 -4.82 117.38 115.06 2aby n GLN 96 Ca -0.12 -1.04 0.00 0.00 -1.94 0.00 0.00 57.00 53.90 2aby n GLN 96 Cb 0.78 -1.41 0.00 0.00 0.11 0.00 0.00 30.24 29.73 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 0.29 4.19 3.82 1.08 0.00 0.30 -4.90 105.19 109.98 2aby n GLY 97 Ca 0.20 -0.42 -0.24 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.13 2.35 -0.03 1.61 0.00 -1.26 -3.64 119.74 116.63 2aby s LYS 98 Ca 0.00 -1.77 -0.08 0.00 0.00 0.00 0.00 55.97 54.12 2aby s LYS 98 Cb 0.00 -2.14 0.01 0.00 0.00 0.00 0.00 37.83 35.70 2aby s LYS 98 CO 0.00 -0.25 0.18 -1.50 0.00 0.00 0.00 175.35 173.78 2aby s ILE 99 N -2.59 0.04 -0.01 3.79 2.07 -1.26 -4.25 121.20 118.99 2aby s ILE 99 Ca 0.42 -0.34 0.06 0.00 -1.41 0.00 0.00 60.65 59.38 2aby s ILE 99 Cb 0.00 -0.37 -0.02 0.00 0.13 0.00 0.00 42.46 42.20 2aby s ILE 99 CO 0.24 -0.19 -0.21 -0.54 -1.91 0.00 0.00 174.94 172.34 2aby s LYS 100 N -0.66 1.63 -0.74 3.50 1.02 -1.26 -5.01 119.74 118.22 2aby s LYS 100 Ca -0.07 -0.77 -0.11 0.00 0.02 0.00 0.00 55.97 55.04 2aby s LYS 100 Cb -0.04 -1.60 0.19 0.00 -0.52 0.00 0.00 37.83 35.86 2aby s LYS 100 CO 0.01 0.43 0.65 0.34 -0.92 0.00 0.00 175.35 175.86 2aby s ASP 101 N -0.58 6.28 0.58 2.83 2.15 -1.26 -4.78 116.67 121.89 2aby s ASP 101 Ca 0.08 -2.65 -0.10 0.00 0.43 0.00 0.00 52.55 50.30 2aby s ASP 101 Cb -0.08 -2.11 -0.04 0.00 -0.30 0.00 0.00 42.92 40.39 2aby s ASP 101 CO -0.00 -0.54 0.97 -0.13 -0.17 0.00 0.00 175.17 175.30 2aby s ARG 102 N 0.23 3.63 0.30 4.34 1.81 -1.26 -5.03 118.95 122.97 2aby s ARG 102 Ca 0.16 0.66 -0.29 0.00 -1.72 0.00 0.00 55.73 54.55 2aby s ARG 102 Cb -0.15 -2.15 -0.10 0.00 -0.45 0.00 0.00 34.95 32.11 2aby s ARG 102 CO -0.06 -0.46 1.24 -1.25 -0.68 0.00 0.00 175.30 174.08 2aby s PRO 103 N -4.96 4.46 0.12 3.54 0.04 -1.26 -5.01 135.00 131.93 2aby s PRO 103 Ca 0.54 2.06 -0.28 0.00 0.04 0.00 0.00 61.00 63.36 2aby s PRO 103 Cb -0.11 -3.12 -0.06 0.00 0.04 0.00 0.00 34.50 31.24 2aby s PRO 103 CO 0.50 -0.06 0.88 0.54 0.04 0.00 0.00 177.00 178.90 2aby s VAL 104 N -1.01 4.48 0.06 -0.36 0.11 -1.26 -4.80 120.40 117.62 2aby s VAL 104 Ca 0.48 1.91 -0.12 0.00 -2.93 0.00 0.00 61.98 61.31 2aby s VAL 104 Cb -0.37 -4.24 -0.06 0.00 -1.53 0.00 0.00 36.38 30.18 2aby s VAL 104 CO 0.47 0.38 0.43 -0.75 -3.33 0.00 0.00 175.10 172.31 2aby s LYS 105 N -0.34 3.86 0.16 1.54 2.47 -0.80 -4.80 119.74 121.83 2aby s LYS 105 Ca 0.42 0.32 -0.30 0.00 -1.56 0.00 0.00 55.97 54.85 2aby s LYS 105 Cb -0.23 -3.07 -0.07 0.00 -1.46 0.00 0.00 37.83 33.00 2aby s LYS 105 CO 0.28 0.60 1.11 -1.83 0.16 0.00 0.00 175.35 175.67 2aby s GLU 106 N -1.60 4.57 -0.04 4.03 -1.05 -1.26 0.57 118.70 123.92 2aby s GLU 106 Ca 0.30 1.72 0.02 0.00 -0.15 0.00 0.00 54.97 56.86 2aby s GLU 106 Cb -0.15 -3.29 -0.03 0.00 -0.44 0.00 0.00 34.13 30.22 2aby s GLU 106 CO 0.16 0.02 -0.07 0.08 0.95 0.00 0.00 175.26 176.41 2aby s VAL 107 N -0.02 3.71 0.47 1.83 1.01 -0.12 -4.86 120.40 122.41 2aby s VAL 107 Ca 0.51 -0.57 0.04 0.00 0.00 0.00 0.00 61.98 61.95 2aby s VAL 107 Cb -0.29 -2.55 -0.04 0.00 0.00 0.00 0.00 36.38 33.50 2aby s VAL 107 CO 0.34 0.53 0.05 -2.28 0.00 0.00 0.00 175.10 173.73 2aby s HIS 108 N -0.88 2.16 -0.23 5.22 2.46 -1.26 -3.91 115.29 118.85 2aby s HIS 108 Ca 0.14 -0.81 -0.28 0.00 0.47 0.00 0.00 55.06 54.58 2aby s HIS 108 Cb -0.11 -1.73 0.01 0.00 -0.13 0.00 0.00 32.58 30.62 2aby s HIS 108 CO 0.04 0.26 1.02 -1.83 -2.47 0.00 0.00 174.74 171.75 2aby s GLU 109 N -3.84 4.25 0.00 2.88 -1.05 -1.26 -4.93 118.70 114.75 2aby s GLU 109 Ca 0.22 1.31 0.00 0.00 -0.15 0.00 0.00 54.97 56.35 2aby s GLU 109 Cb 0.05 -3.64 0.00 0.00 -0.44 0.00 0.00 34.13 30.10 2aby s GLU 109 CO 0.11 -0.62 0.00 0.39 0.95 0.00 0.00 175.26 176.10 2aby n GLU 110 N 6.29 -1.26 -3.58 -4.83 1.02 -1.26 -5.06 120.64 111.96 2aby n GLU 110 Ca 0.11 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.91 2aby n GLU 110 Cb 0.46 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.82 2aby n GLU 110 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2aby n TYR 111 N 3.83 3.83 0.01 -0.32 4.02 -1.26 -4.80 117.16 122.46 2aby n TYR 111 Ca 0.00 -4.01 -0.02 0.00 -0.01 0.00 0.00 57.90 53.86 2aby n TYR 111 Cb 0.00 -1.00 -0.01 0.00 -0.02 0.00 0.00 39.34 38.32 2aby n TYR 111 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 2aby n ASP 112 N 1.93 1.08 -3.03 7.72 5.75 -1.26 -5.07 116.55 123.67 2aby n ASP 112 Ca 0.23 0.16 -0.04 0.00 -0.01 0.00 0.00 54.79 55.13 2aby n ASP 112 Cb 0.37 -0.39 0.04 0.00 -1.03 0.00 0.00 41.12 40.10 2aby n ASP 112 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2aby n LEU 113 N -3.52 0.00 -0.21 -2.12 4.77 -1.26 -4.89 117.00 109.77 2aby n LEU 113 Ca -0.03 -0.11 -0.07 0.00 -0.03 0.00 0.00 56.01 55.77 2aby n LEU 113 Cb 0.12 -0.12 0.03 0.00 -2.33 0.00 0.00 43.42 41.11 2aby n LEU 113 CO 0.05 -1.65 1.04 -0.50 -1.33 0.00 0.00 177.39 175.00 2aby h TRP 114 N -2.17 0.82 -6.55 -1.77 -0.00 -2.00 -3.47 115.95 100.81 2aby h TRP 114 Ca -0.05 -0.03 -0.42 0.00 -0.00 0.00 0.00 58.89 58.39 2aby h TRP 114 Cb 0.16 -0.26 0.00 0.00 -0.00 0.00 0.00 29.16 29.06 2aby h TRP 114 CO 0.00 0.61 -0.93 0.39 -0.00 0.00 0.00 178.44 178.50 2aby n GLU 115 N -4.57 -1.46 0.01 0.49 1.02 -1.26 -4.71 120.64 110.17 2aby n GLU 115 Ca 0.04 0.83 0.00 0.00 -0.02 0.00 0.00 57.16 58.01 2aby n GLU 115 Cb 0.10 -2.82 0.00 0.00 -0.02 0.00 0.00 31.44 28.70 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 -2.49 -0.24 0.20 1.62 8.00 -1.26 -4.91 116.55 117.47 2aby n ASP 116 Ca -0.27 0.44 -0.11 0.00 0.71 0.00 0.00 54.79 55.56 2aby n ASP 116 Cb 0.66 0.61 -0.06 0.00 -0.02 0.00 0.00 41.12 42.31 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 -0.55 0.00 -0.24 0.13 -1.95 -3.28 132.00 126.11 2aby h PRO 117 Ca 0.00 0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 2aby h PRO 117 Cb 0.00 0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.25 2aby h PRO 117 CO 0.00 -0.27 -0.07 0.44 -0.23 0.00 0.00 178.00 177.88 2aby n ILE 118 N -5.17 0.30 0.30 -3.56 -0.00 -1.26 -3.50 119.36 106.48 2aby n ILE 118 Ca -0.09 -0.15 0.19 0.00 -0.00 0.00 0.00 62.75 62.70 2aby n ILE 118 Cb 0.27 -0.48 1.03 0.00 -0.00 0.00 0.00 39.64 40.46 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 2.91 -1.90 -3.36 115.95 117.88 2aby h TRP 119 Ca 0.00 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.02 2aby h TRP 119 Cb 0.63 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.28 2aby h TRP 119 CO 0.00 0.00 0.00 0.94 -1.03 0.00 0.00 178.44 178.35 2aby n GLN 120 N -3.42 0.00 -1.99 2.65 -0.06 -1.23 -4.97 117.38 108.37 2aby n GLN 120 Ca -0.02 0.00 -0.15 0.00 -2.00 0.00 0.00 57.00 54.83 2aby n GLN 120 Cb 0.14 -0.08 0.07 0.00 -4.06 0.00 0.00 30.24 26.31 2aby n GLN 120 CO 0.00 0.00 0.00 0.66 -0.20 0.00 0.00 177.06 177.52 2aby n TYR 121 N -1.82 -2.97 0.00 3.69 4.02 -1.23 -5.16 117.16 113.70 2aby n TYR 121 Ca 0.00 -1.21 0.00 0.00 -0.01 0.00 0.00 57.90 56.68 2aby n TYR 121 Cb 0.00 -0.45 0.00 0.00 -0.02 0.00 0.00 39.34 38.87 2aby n TYR 121 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 176.86 176.29