#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 -0.94 0.01 0.03 10.64 -1.26 -4.97 117.38 120.89 2aby n GLN 2 Ca 0.00 -0.24 0.00 0.00 -1.83 0.00 0.00 57.00 54.93 2aby n GLN 2 Cb 0.00 -1.88 0.00 0.00 -0.86 0.00 0.00 30.24 27.50 2aby n GLN 2 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 2aby n LYS 3 N -2.34 0.00 0.00 2.61 4.76 -1.26 -5.04 118.16 116.89 2aby n LYS 3 Ca 0.05 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.49 2aby n LYS 3 Cb 0.56 -0.06 0.00 0.00 -1.84 0.00 0.00 35.03 33.70 2aby n LYS 3 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2aby n GLY 4 N 2.90 1.55 3.40 0.72 0.00 -1.26 -4.77 105.19 107.73 2aby n GLY 4 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 2aby n GLY 4 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2aby s LEU 5 N 0.00 0.11 -0.03 0.99 -0.00 -1.26 -3.81 118.68 114.68 2aby s LEU 5 Ca 0.00 -0.31 0.07 0.00 -0.00 0.00 0.00 54.13 53.89 2aby s LEU 5 Cb 0.00 2.08 -0.02 0.00 -0.00 0.00 0.00 46.19 48.26 2aby s LEU 5 CO 0.00 -0.94 -0.25 -1.83 -0.00 0.00 0.00 176.35 173.34 2aby s GLU 6 N -3.82 2.15 0.05 1.48 4.04 -1.26 -2.98 118.70 118.36 2aby s GLU 6 Ca 0.05 -0.88 0.06 0.00 0.04 0.00 0.00 54.97 54.24 2aby s GLU 6 Cb 0.00 -1.99 -0.03 0.00 0.02 0.00 0.00 34.13 32.14 2aby s GLU 6 CO -0.09 0.48 -0.18 0.96 -1.84 0.00 0.00 175.26 174.58 2aby s ILE 7 N -0.44 1.46 0.04 1.83 -0.00 0.76 -5.00 121.20 119.85 2aby s ILE 7 Ca 0.05 -1.18 0.06 0.00 -0.00 0.00 0.00 60.65 59.58 2aby s ILE 7 Cb -0.11 -1.30 -0.02 0.00 -0.00 0.00 0.00 42.46 41.03 2aby s ILE 7 CO 0.00 0.08 -0.17 0.00 -0.00 0.00 0.00 174.94 174.86 2aby s ALA 8 N -0.89 1.43 -0.01 2.27 0.00 -1.26 -1.25 121.76 122.04 2aby s ALA 8 Ca 0.05 -0.92 0.02 0.00 0.00 0.00 0.00 51.96 51.11 2aby s ALA 8 Cb -0.09 -0.26 0.00 0.00 0.00 0.00 0.00 23.12 22.78 2aby s ALA 8 CO 0.02 0.30 -0.06 0.12 0.00 0.00 0.00 175.76 176.14 2aby s PHE 9 N -0.80 0.62 0.25 0.00 5.36 -0.79 -4.76 117.98 117.86 2aby s PHE 9 Ca 0.04 -0.13 0.06 0.00 -0.96 0.00 0.00 56.93 55.95 2aby s PHE 9 Cb -0.08 -0.45 -0.03 0.00 -0.34 0.00 0.00 43.02 42.12 2aby s PHE 9 CO 0.01 -0.05 0.25 1.14 -1.46 0.00 0.00 175.22 175.11 2aby s GLN 10 N 0.12 3.08 0.07 10.12 -2.07 -1.26 -0.78 119.66 128.93 2aby s GLN 10 Ca -0.01 -0.97 -0.25 0.00 -1.82 0.00 0.00 55.36 52.31 2aby s GLN 10 Cb -0.06 -2.66 0.06 0.00 -1.09 0.00 0.00 33.01 29.26 2aby s GLN 10 CO -0.00 0.39 0.59 -0.08 -1.32 0.00 0.00 175.29 174.87 2aby s THR 11 N -2.09 0.01 0.21 3.63 -1.32 0.10 -4.90 115.64 111.28 2aby s THR 11 Ca 0.34 -0.11 0.00 0.00 -1.21 0.00 0.00 61.69 60.71 2aby s THR 11 Cb -0.08 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.91 2aby s THR 11 CO 0.26 -0.06 0.00 -0.38 -2.21 0.00 0.00 174.62 172.24 2aby n ILE 12 N 0.23 0.37 -3.58 5.08 -0.00 -1.26 -0.12 119.36 120.07 2aby n ILE 12 Ca -0.18 0.12 -0.07 0.00 -0.00 0.00 0.00 62.75 62.62 2aby n ILE 12 Cb 0.61 -0.85 -0.04 0.00 -0.00 0.00 0.00 39.64 39.36 2aby n ILE 12 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.55 176.76 2aby s ASN 13 N -5.30 -0.24 0.48 4.38 3.84 -1.26 -4.79 114.94 112.05 2aby s ASN 13 Ca 0.00 0.17 0.00 0.00 0.21 0.00 0.00 52.86 53.24 2aby s ASN 13 Cb 0.00 0.22 0.00 0.00 -0.55 0.00 0.00 41.25 40.92 2aby s ASN 13 CO 0.00 -0.29 0.00 0.61 -2.79 0.00 0.00 177.10 174.63 2aby n GLY 14 N 0.34 1.04 0.27 1.21 0.00 -1.26 -3.90 105.19 102.89 2aby n GLY 14 Ca -0.05 -0.95 0.15 0.00 0.00 0.00 0.00 46.02 45.17 2aby n GLY 14 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2aby h LEU 15 N 0.00 0.00 0.46 0.99 6.46 -2.00 -2.91 115.31 118.31 2aby h LEU 15 Ca 0.00 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.74 2aby h LEU 15 Cb 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.93 2aby h LEU 15 CO 0.00 0.09 -0.22 0.44 -0.62 0.00 0.00 178.44 178.13 2aby h ASP 16 N 0.00 -0.53 -0.56 1.25 3.32 -1.95 -0.59 116.42 117.36 2aby h ASP 16 Ca -0.00 0.02 0.11 0.00 0.02 0.00 0.00 57.03 57.18 2aby h ASP 16 Cb 0.35 0.14 -0.09 0.00 0.22 0.00 0.00 39.33 39.95 2aby h ASP 16 CO 0.01 -0.28 0.01 1.05 -1.72 0.00 0.00 179.24 178.32 2aby h GLU 17 N -0.82 0.13 -0.60 3.56 4.11 -1.79 -0.08 114.58 119.08 2aby h GLU 17 Ca -0.06 -0.01 0.02 0.00 0.07 0.00 0.00 59.36 59.38 2aby h GLU 17 Cb 0.48 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.66 2aby h GLU 17 CO 0.10 0.08 0.37 0.77 0.07 0.00 0.00 179.01 180.41 2aby h SER 18 N 0.13 0.62 -0.24 3.06 0.02 -1.57 -1.47 113.55 114.11 2aby h SER 18 Ca 0.29 -0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.21 2aby h SER 18 Cb 0.45 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.84 2aby h SER 18 CO -0.47 0.44 0.08 0.25 -1.14 0.00 0.00 176.83 175.99 2aby h LEU 19 N 0.74 0.40 0.29 5.07 7.12 0.34 0.89 115.31 130.16 2aby h LEU 19 Ca 0.24 -0.05 -0.01 0.00 0.13 0.00 0.00 57.88 58.19 2aby h LEU 19 Cb -0.01 -0.10 0.00 0.00 -0.53 0.00 0.00 40.66 40.02 2aby h LEU 19 CO -0.09 0.40 -0.14 0.58 -0.13 0.00 0.00 178.44 179.07 2aby h VAL 20 N 0.44 0.68 0.00 1.05 2.07 -0.19 0.24 116.25 120.54 2aby h VAL 20 Ca 0.11 -0.72 -0.03 0.00 0.82 0.00 0.00 66.70 66.88 2aby h VAL 20 Cb 0.16 1.03 -0.00 0.00 -1.52 0.00 0.00 31.29 30.96 2aby h VAL 20 CO -0.01 0.13 -0.15 0.06 0.02 0.00 0.00 177.57 177.62 2aby h GLN 21 N -0.81 0.00 0.00 1.57 3.07 -1.18 -1.14 115.11 116.63 2aby h GLN 21 Ca -0.04 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.70 2aby h GLN 21 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.07 2aby h GLN 21 CO 0.06 0.15 -0.00 0.00 0.09 0.00 0.00 178.83 179.14 2aby h ALA 22 N 1.85 -0.00 -0.39 0.06 0.00 -0.77 -3.21 119.26 116.79 2aby h ALA 22 Ca -0.00 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 2aby h ALA 22 Cb 0.38 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2aby h ALA 22 CO 0.02 -0.01 0.23 1.37 0.00 0.00 0.00 179.25 180.86 2aby h LEU 23 N -0.99 0.46 0.35 0.00 8.10 -0.44 -1.47 115.31 121.32 2aby h LEU 23 Ca -0.00 -0.02 -0.01 0.00 0.11 0.00 0.00 57.88 57.95 2aby h LEU 23 Cb 0.77 -0.12 -0.00 0.00 -0.44 0.00 0.00 40.66 40.87 2aby h LEU 23 CO 0.00 0.36 -0.19 0.00 -4.11 0.00 0.00 178.44 174.50 2aby h ALA 24 N 1.72 -0.50 -0.54 0.17 0.00 -1.32 0.20 119.26 118.99 2aby h ALA 24 Ca 0.14 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 2aby h ALA 24 Cb -0.01 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2aby h ALA 24 CO -0.03 -0.79 0.07 0.78 0.00 0.00 0.00 179.25 179.29 2aby h GLY 25 N -0.50 0.98 0.99 0.00 0.00 -1.50 -1.62 103.07 101.42 2aby h GLY 25 Ca -0.04 -0.67 -0.03 0.00 0.00 0.00 0.00 47.33 46.59 2aby h GLY 25 CO 0.06 0.62 0.22 -2.08 0.00 0.00 0.00 176.54 175.35 2aby h VAL 26 N 0.80 1.23 0.33 4.60 2.07 -1.17 -0.28 116.25 123.82 2aby h VAL 26 Ca 0.16 -0.71 -0.02 0.00 0.82 0.00 0.00 66.70 66.95 2aby h VAL 26 Cb 0.43 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 2aby h VAL 26 CO 0.01 0.28 -0.16 0.71 0.02 0.00 0.00 177.57 178.43 2aby h THR 27 N 0.79 0.69 -0.75 2.57 1.35 -0.50 0.29 112.91 117.34 2aby h THR 27 Ca 0.19 -0.39 0.05 0.00 -0.55 0.00 0.00 66.41 65.70 2aby h THR 27 Cb 0.21 0.89 -0.04 0.00 -1.73 0.00 0.00 68.15 67.48 2aby h THR 27 CO -0.01 0.08 0.49 0.00 -0.25 0.00 0.00 175.52 175.83 2aby h ALA 28 N -0.08 1.61 -0.05 6.62 0.00 -1.27 0.26 119.26 126.35 2aby h ALA 28 Ca -0.05 -0.03 -0.21 0.00 0.00 0.00 0.00 54.91 54.62 2aby h ALA 28 Cb 0.47 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2aby h ALA 28 CO 0.07 0.30 -0.84 1.03 0.00 0.00 0.00 179.25 179.81 2aby h SER 29 N 0.86 0.60 1.52 0.00 0.87 -0.92 -3.09 113.55 113.39 2aby h SER 29 Ca 0.31 -0.43 0.00 0.00 -1.23 0.00 0.00 61.79 60.44 2aby h SER 29 Cb 0.13 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 61.91 2aby h SER 29 CO -0.10 1.21 0.00 0.44 -0.53 0.00 0.00 176.83 177.85 2aby h ASP 30 N 0.30 0.00 -2.69 6.23 3.32 0.36 -3.36 116.42 120.59 2aby h ASP 30 Ca -0.06 0.00 -0.67 0.00 0.02 0.00 0.00 57.03 56.32 2aby h ASP 30 Cb 1.46 0.00 -0.37 0.00 0.22 0.00 0.00 39.33 40.63 2aby h ASP 30 CO 0.15 0.00 -0.15 0.49 -1.72 0.00 0.00 179.24 178.01 2aby n PHE 31 N -2.61 3.42 0.34 4.55 3.72 0.85 -4.86 117.46 122.88 2aby n PHE 31 Ca 0.04 -3.80 0.15 0.00 -0.05 0.00 0.00 57.45 53.79 2aby n PHE 31 Cb 0.43 -0.86 0.60 0.00 -0.94 0.00 0.00 39.48 38.71 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 4.97 0.00 0.00 -1.08 0.13 -1.71 -2.66 132.00 131.65 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 0.95 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.47 2aby n ASP 33 N -2.66 0.06 -1.54 1.44 8.00 -1.26 -4.85 116.55 115.73 2aby n ASP 33 Ca 0.01 0.52 -0.16 0.00 0.71 0.00 0.00 54.79 55.87 2aby n ASP 33 Cb 0.26 -0.53 -0.03 0.00 -0.02 0.00 0.00 41.12 40.80 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 -1.57 -1.47 -1.65 0.64 4.77 -1.00 -4.87 117.00 111.84 2aby n LEU 34 Ca 0.03 0.16 0.07 0.00 -0.03 0.00 0.00 56.01 56.24 2aby n LEU 34 Cb 0.17 -2.31 0.35 0.00 -2.33 0.00 0.00 43.42 39.29 2aby n LEU 34 CO 0.14 -0.44 0.79 -0.90 -1.33 0.00 0.00 177.39 175.64 2aby n ASP 35 N -0.80 4.92 -4.41 -1.43 5.75 -1.26 -4.88 116.55 114.44 2aby n ASP 35 Ca -0.17 -2.70 -0.35 0.00 -0.01 0.00 0.00 54.79 51.56 2aby n ASP 35 Cb 0.59 -0.63 -0.13 0.00 -1.03 0.00 0.00 41.12 39.92 2aby n ASP 35 CO 0.00 0.00 0.00 -0.51 -0.11 0.00 0.00 177.20 176.58 2aby s ILE 36 N -2.34 3.84 -0.44 2.12 -1.16 -1.26 -2.22 121.20 119.74 2aby s ILE 36 Ca 0.47 -0.35 -0.00 0.00 -0.51 0.00 0.00 60.65 60.27 2aby s ILE 36 Cb 0.35 -2.74 0.12 0.00 0.61 0.00 0.00 42.46 40.79 2aby s ILE 36 CO 0.16 0.42 0.20 -0.54 -2.81 0.00 0.00 174.94 172.37 2aby s LYS 37 N 1.18 1.94 0.26 3.50 3.01 -0.53 -5.00 119.74 124.10 2aby s LYS 37 Ca 0.03 -2.05 0.11 0.00 -1.01 0.00 0.00 55.97 53.05 2aby s LYS 37 Cb -0.14 -3.47 -0.05 0.00 -1.01 0.00 0.00 37.83 33.16 2aby s LYS 37 CO 0.01 -1.06 -0.18 1.52 0.51 0.00 0.00 175.35 176.16 2aby s TYR 38 N 0.71 2.14 -0.25 3.18 1.13 -1.26 -0.08 117.35 122.91 2aby s TYR 38 Ca 0.11 -0.41 -0.25 0.00 -1.41 0.00 0.00 57.07 55.11 2aby s TYR 38 Cb -0.22 -0.96 0.08 0.00 -1.10 0.00 0.00 41.96 39.75 2aby s TYR 38 CO -0.05 0.61 0.75 -0.80 -2.51 0.00 0.00 175.55 173.55 2aby s ASN 39 N -3.46 -0.71 -0.19 -0.18 0.01 0.15 -4.98 114.94 105.58 2aby s ASN 39 Ca 0.28 1.33 -0.01 0.00 -0.71 0.00 0.00 52.86 53.75 2aby s ASN 39 Cb -0.03 1.33 0.00 0.00 0.41 0.00 0.00 41.25 42.96 2aby s ASN 39 CO 0.13 -0.27 -0.13 -0.63 -1.51 0.00 0.00 177.10 174.69 2aby s ILE 40 N 0.24 2.70 0.05 0.60 1.01 -1.26 -0.68 121.20 123.85 2aby s ILE 40 Ca -0.00 -0.73 0.06 0.00 0.00 0.00 0.00 60.65 59.97 2aby s ILE 40 Cb -0.05 -2.17 -0.02 0.00 0.01 0.00 0.00 42.46 40.23 2aby s ILE 40 CO 0.01 0.49 -0.16 0.72 0.00 0.00 0.00 174.94 176.00 2aby s PHE 41 N 1.22 1.38 -0.27 3.97 -0.12 -0.53 -1.80 117.98 121.82 2aby s PHE 41 Ca 0.02 -0.37 -0.09 0.00 -0.05 0.00 0.00 56.93 56.44 2aby s PHE 41 Cb -0.14 -0.81 -0.04 0.00 -0.63 0.00 0.00 43.02 41.41 2aby s PHE 41 CO -0.06 0.06 0.13 -1.17 -0.05 0.00 0.00 175.22 174.13 2aby s LEU 42 N -1.25 3.74 -0.14 -1.99 0.20 0.15 -1.62 118.68 117.76 2aby s LEU 42 Ca 0.03 -0.14 -0.05 0.00 0.69 0.00 0.00 54.13 54.65 2aby s LEU 42 Cb -0.08 -2.02 -0.04 0.00 -0.43 0.00 0.00 46.19 43.62 2aby s LEU 42 CO 0.02 -0.05 0.05 0.68 -0.29 0.00 0.00 176.35 176.75 2aby s VAL 43 N 1.68 4.70 -0.26 1.68 -7.23 -0.24 -1.27 120.40 119.46 2aby s VAL 43 Ca 0.07 -0.08 -0.02 0.00 -1.81 0.00 0.00 61.98 60.13 2aby s VAL 43 Cb -0.16 -3.06 0.08 0.00 0.56 0.00 0.00 36.38 33.81 2aby s VAL 43 CO 0.07 0.53 0.08 1.51 -0.31 0.00 0.00 175.10 176.98 2aby s ASP 44 N -0.23 3.48 0.08 4.85 1.47 -1.26 -0.63 116.67 124.42 2aby s ASP 44 Ca 0.07 -1.24 -0.12 0.00 1.18 0.00 0.00 52.55 52.45 2aby s ASP 44 Cb -0.12 -0.65 0.01 0.00 -0.34 0.00 0.00 42.92 41.82 2aby s ASP 44 CO 0.02 -0.38 0.28 -0.76 0.68 0.00 0.00 175.17 175.01 2aby s LEU 45 N 1.81 0.99 -1.27 2.11 2.01 -0.62 -4.90 118.68 118.82 2aby s LEU 45 Ca 0.05 -0.40 -0.02 0.00 0.01 0.00 0.00 54.13 53.77 2aby s LEU 45 Cb -0.17 1.33 0.00 0.00 0.01 0.00 0.00 46.19 47.36 2aby s LEU 45 CO -0.21 -0.71 0.20 -1.22 1.01 0.00 0.00 176.35 175.42 2aby n TYR 46 N 0.15 -1.06 -1.22 0.29 4.01 -1.26 -1.86 117.16 116.22 2aby n TYR 46 Ca -0.17 0.17 -0.07 0.00 -0.16 0.00 0.00 57.90 57.67 2aby n TYR 46 Cb 0.62 -3.41 -0.03 0.00 -0.31 0.00 0.00 39.34 36.20 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 -1.15 0.82 3.01 2.72 0.00 -1.26 -4.97 105.19 104.37 2aby n GLY 47 Ca -0.14 -0.13 -0.21 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.37 1.12 -0.12 1.61 -1.52 -0.77 -5.14 119.66 112.47 2aby s GLN 48 Ca 0.00 -0.34 -0.04 0.00 -1.95 0.00 0.00 55.36 53.02 2aby s GLN 48 Cb 0.00 -1.02 -0.04 0.00 -0.22 0.00 0.00 33.01 31.73 2aby s GLN 48 CO 0.00 0.11 0.05 0.15 -0.25 0.00 0.00 175.29 175.35 2aby s LYS 49 N 0.25 3.37 0.00 2.91 3.01 -1.26 -1.59 119.74 126.43 2aby s LYS 49 Ca -0.05 -0.34 -0.12 0.00 -1.01 0.00 0.00 55.97 54.46 2aby s LYS 49 Cb -0.10 -2.99 0.01 0.00 -1.01 0.00 0.00 37.83 33.74 2aby s LYS 49 CO 0.01 0.59 0.24 0.71 0.51 0.00 0.00 175.35 177.41 2aby s TYR 50 N -0.55 -0.08 -0.17 3.18 2.02 0.19 -5.01 117.35 116.94 2aby s TYR 50 Ca 0.10 0.06 -0.08 0.00 -0.37 0.00 0.00 57.07 56.78 2aby s TYR 50 Cb -0.12 0.03 -0.04 0.00 -0.40 0.00 0.00 41.96 41.43 2aby s TYR 50 CO 0.02 -0.37 0.09 -0.06 -1.57 0.00 0.00 175.55 173.66 2aby s PHE 51 N -1.53 3.33 -0.03 2.71 0.40 0.83 -1.08 117.98 122.61 2aby s PHE 51 Ca -0.13 0.20 0.04 0.00 -0.60 0.00 0.00 56.93 56.44 2aby s PHE 51 Cb -0.05 -2.07 -0.00 0.00 0.51 0.00 0.00 43.02 41.40 2aby s PHE 51 CO 0.02 0.27 -0.14 1.03 0.70 0.00 0.00 175.22 177.11 2aby s ARG 52 N 0.15 1.30 -0.04 0.44 3.00 -0.64 0.02 118.95 123.17 2aby s ARG 52 Ca 0.06 -0.48 0.06 0.00 0.00 0.00 0.00 55.73 55.36 2aby s ARG 52 Cb -0.12 -1.20 -0.01 0.00 0.00 0.00 0.00 34.95 33.63 2aby s ARG 52 CO 0.00 0.23 -0.22 0.96 0.00 0.00 0.00 175.30 176.28 2aby s ILE 53 N -0.07 1.76 -0.18 1.52 -5.25 0.04 -1.45 121.20 117.55 2aby s ILE 53 Ca 0.00 -0.91 -0.01 0.00 -0.99 0.00 0.00 60.65 58.74 2aby s ILE 53 Cb -0.08 -1.48 0.00 0.00 2.95 0.00 0.00 42.46 43.85 2aby s ILE 53 CO 0.01 0.50 -0.14 -0.22 -1.79 0.00 0.00 174.94 173.29 2aby s LEU 54 N -0.19 2.47 -0.13 0.37 0.20 0.14 -1.89 118.68 119.66 2aby s LEU 54 Ca -0.01 -0.51 0.00 0.00 0.69 0.00 0.00 54.13 54.30 2aby s LEU 54 Cb -0.12 -1.59 0.02 0.00 -0.43 0.00 0.00 46.19 44.08 2aby s LEU 54 CO 0.02 0.02 -0.12 0.12 -0.29 0.00 0.00 176.35 176.10 2aby s PHE 55 N 1.19 1.94 0.08 5.38 5.36 -0.38 -0.68 117.98 130.87 2aby s PHE 55 Ca 0.02 -1.04 0.04 0.00 -0.96 0.00 0.00 56.93 54.99 2aby s PHE 55 Cb -0.14 -1.46 -0.03 0.00 -0.34 0.00 0.00 43.02 41.04 2aby s PHE 55 CO -0.06 -0.60 -0.12 -0.65 -1.46 0.00 0.00 175.22 172.33 2aby s GLN 56 N 1.48 0.80 1.16 10.12 1.11 0.88 -0.17 119.66 135.06 2aby s GLN 56 Ca 0.03 -1.01 -0.20 0.00 0.01 0.00 0.00 55.36 54.20 2aby s GLN 56 Cb -0.13 -0.68 0.29 0.00 -1.01 0.00 0.00 33.01 31.47 2aby s GLN 56 CO -0.09 0.14 1.13 0.45 0.01 0.00 0.00 175.29 176.93 2aby n SER 57 N 1.05 -1.61 0.01 5.90 2.88 -1.16 -1.46 113.62 119.23 2aby n SER 57 Ca -0.20 -1.23 -0.11 0.00 -1.33 0.00 0.00 58.87 56.00 2aby n SER 57 Cb 0.55 -1.00 -0.09 0.00 -0.75 0.00 0.00 64.21 62.93 2aby n SER 57 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 2aby h LYS 58 N 0.00 -0.12 0.00 -1.46 3.11 -1.81 -3.38 116.57 112.92 2aby h LYS 58 Ca -0.41 0.01 -0.32 0.00 -2.81 0.00 0.00 60.65 57.11 2aby h LYS 58 Cb 1.23 0.03 -0.06 0.00 -1.00 0.00 0.00 32.23 32.43 2aby h LYS 58 CO 0.27 0.41 -1.98 1.63 -2.81 0.00 0.00 179.45 176.98 2aby n LYS 59 N -4.85 0.66 -3.78 1.90 4.76 -1.26 -4.96 118.16 110.63 2aby n LYS 59 Ca -0.08 0.18 -0.27 0.00 -2.87 0.00 0.00 58.31 55.28 2aby n LYS 59 Cb 0.29 -1.69 -0.07 0.00 -1.84 0.00 0.00 35.03 31.73 2aby n LYS 59 CO 0.00 0.00 0.00 1.47 -1.37 0.00 0.00 177.40 177.50 2aby n LEU 60 N -2.95 -0.66 -4.88 -0.35 -0.00 -1.26 -4.86 117.00 102.05 2aby n LEU 60 Ca -0.24 -0.92 -0.30 0.00 -0.00 0.00 0.00 56.01 54.55 2aby n LEU 60 Cb 1.09 -1.16 -0.03 0.00 -0.00 0.00 0.00 43.42 43.32 2aby n LEU 60 CO 0.44 0.22 0.41 -0.55 -0.00 0.00 0.00 177.39 177.90 2aby s SER 61 N -3.37 6.52 0.53 1.45 0.15 -1.25 -4.49 113.70 113.23 2aby s SER 61 Ca 0.28 1.08 0.30 0.00 0.70 0.00 0.00 55.95 58.31 2aby s SER 61 Cb -0.17 -2.30 1.45 0.00 -1.71 0.00 0.00 66.02 63.29 2aby s SER 61 CO 0.74 -0.37 1.91 -0.33 1.20 0.00 0.00 173.24 176.39 2aby h GLU 62 N 1.34 0.02 -6.72 5.44 5.08 -1.89 -3.40 114.58 114.45 2aby h GLU 62 Ca -0.47 -0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 57.39 2aby h GLU 62 Cb 1.19 -0.00 0.23 0.00 0.50 0.00 0.00 28.75 30.66 2aby h GLU 62 CO 0.64 0.01 -0.85 1.28 -1.00 0.00 0.00 179.01 179.10 2aby n LEU 63 N -4.30 -1.31 -2.80 1.33 4.77 -1.26 -4.22 117.00 109.21 2aby n LEU 63 Ca 0.17 0.12 -0.03 0.00 -0.03 0.00 0.00 56.01 56.24 2aby n LEU 63 Cb 0.88 -1.08 0.01 0.00 -2.33 0.00 0.00 43.42 40.90 2aby n LEU 63 CO 0.38 -3.43 0.22 1.41 -1.33 0.00 0.00 177.39 174.65 2aby n HIS 64 N -3.95 -2.32 -0.10 -1.77 8.25 -1.26 -4.70 115.22 109.37 2aby n HIS 64 Ca 0.04 0.87 -0.13 0.00 -0.26 0.00 0.00 57.72 58.23 2aby n HIS 64 Cb 0.58 -3.67 -0.04 0.00 1.12 0.00 0.00 29.99 27.98 2aby n HIS 64 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2aby h PRO 65 N 0.07 0.74 0.00 -0.41 0.13 -1.94 -3.06 132.00 127.53 2aby h PRO 65 Ca -0.12 -0.39 -0.06 0.00 -0.87 0.00 0.00 66.00 64.56 2aby h PRO 65 Cb 1.06 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 2aby h PRO 65 CO 0.27 1.01 -0.28 0.93 -0.23 0.00 0.00 178.00 179.70 2aby h GLU 66 N 0.50 0.00 -0.15 0.86 3.07 -1.96 -2.56 114.58 114.35 2aby h GLU 66 Ca 0.05 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 58.82 2aby h GLU 66 Cb 0.88 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.78 2aby h GLU 66 CO 0.08 0.28 -0.28 0.93 -1.40 0.00 0.00 179.01 178.61 2aby h GLU 67 N 0.00 0.28 0.15 2.33 5.08 -1.89 -2.41 114.58 118.12 2aby h GLU 67 Ca -0.00 -0.10 0.01 0.00 -1.00 0.00 0.00 59.36 58.27 2aby h GLU 67 Cb 0.56 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.77 2aby h GLU 67 CO 0.04 0.54 -0.22 0.00 -1.00 0.00 0.00 179.01 178.36 2aby h ARG 68 N 0.25 -0.42 -0.43 2.33 3.08 -1.42 -1.16 114.38 116.61 2aby h ARG 68 Ca 0.04 0.03 -0.08 0.00 0.07 0.00 0.00 59.98 60.03 2aby h ARG 68 Cb 0.63 0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.76 2aby h ARG 68 CO 0.05 -0.28 -0.07 1.57 -1.07 0.00 0.00 179.97 180.16 2aby h LYS 69 N -0.44 0.74 0.12 0.04 2.10 -1.64 -1.05 116.57 116.44 2aby h LYS 69 Ca 0.02 -0.22 0.02 0.00 -2.00 0.00 0.00 60.65 58.46 2aby h LYS 69 Cb 0.44 -0.07 -0.03 0.00 -0.90 0.00 0.00 32.23 31.67 2aby h LYS 69 CO -0.10 0.80 -0.24 -0.22 -2.00 0.00 0.00 179.45 177.69 2aby h LYS 70 N 0.68 -0.42 -0.20 0.07 3.64 -0.98 -1.55 116.57 117.81 2aby h LYS 70 Ca 0.12 0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.41 2aby h LYS 70 Cb 0.53 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.43 2aby h LYS 70 CO 0.03 -0.28 -0.38 -0.39 -2.27 0.00 0.00 179.45 176.16 2aby h VAL 71 N -0.44 1.30 -0.08 2.00 -1.51 -1.16 -1.77 116.25 114.58 2aby h VAL 71 Ca 0.03 -1.50 0.04 0.00 -1.23 0.00 0.00 66.70 64.04 2aby h VAL 71 Cb 0.46 1.56 -0.04 0.00 -2.13 0.00 0.00 31.29 31.13 2aby h VAL 71 CO -0.13 0.46 -0.16 -0.09 -1.23 0.00 0.00 177.57 176.42 2aby h ARG 72 N 0.37 -0.22 -0.22 5.19 9.65 -0.73 0.28 114.38 128.71 2aby h ARG 72 Ca 0.04 0.01 -0.13 0.00 -1.10 0.00 0.00 59.98 58.80 2aby h ARG 72 Cb 0.83 0.05 -0.00 0.00 -1.39 0.00 0.00 29.97 29.46 2aby h ARG 72 CO 0.07 -0.14 -0.38 1.05 2.80 0.00 0.00 179.97 183.36 2aby h GLU 73 N -0.22 0.65 -0.02 0.20 4.11 -1.28 -1.28 114.58 116.74 2aby h GLU 73 Ca 0.08 -0.40 0.03 0.00 0.07 0.00 0.00 59.36 59.13 2aby h GLU 73 Cb 0.34 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 2aby h GLU 73 CO -0.22 1.02 -0.15 -0.22 0.07 0.00 0.00 179.01 179.51 2aby h LYS 74 N 0.35 -0.23 -0.23 1.06 3.11 -1.04 -1.21 116.57 118.38 2aby h LYS 74 Ca 0.02 0.02 -0.10 0.00 -2.81 0.00 0.00 60.65 57.77 2aby h LYS 74 Cb 0.97 0.05 -0.01 0.00 -1.00 0.00 0.00 32.23 32.24 2aby h LYS 74 CO 0.09 -0.15 -0.28 0.27 -2.81 0.00 0.00 179.45 176.57 2aby h PHE 75 N -0.24 0.51 0.12 1.91 -5.15 -0.50 -1.32 116.94 112.27 2aby h PHE 75 Ca 0.06 -0.11 0.01 0.00 -0.20 0.00 0.00 57.97 57.72 2aby h PHE 75 Cb 0.31 -0.12 -0.02 0.00 0.22 0.00 0.00 35.95 36.34 2aby h PHE 75 CO -0.22 0.69 -0.15 0.22 -2.00 0.00 0.00 178.31 176.85 2aby h ASP 76 N 0.39 -0.41 -0.14 -0.68 3.58 -0.62 -0.61 116.42 117.93 2aby h ASP 76 Ca 0.05 0.05 -0.05 0.00 0.42 0.00 0.00 57.03 57.50 2aby h ASP 76 Cb 0.69 0.15 -0.00 0.00 1.72 0.00 0.00 39.33 41.89 2aby h ASP 76 CO 0.05 -0.23 -0.10 1.05 -2.88 0.00 0.00 179.24 177.14 2aby h GLU 77 N -0.32 0.31 -0.98 0.28 4.11 -1.19 -1.55 114.58 115.24 2aby h GLU 77 Ca 0.01 -0.15 0.20 0.00 0.07 0.00 0.00 59.36 59.49 2aby h GLU 77 Cb 0.32 -0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.47 2aby h GLU 77 CO -0.06 0.67 0.61 -0.97 0.07 0.00 0.00 179.01 179.33 2aby h ASN 78 N -0.04 0.65 0.18 3.06 -1.24 -1.14 0.36 115.58 117.41 2aby h ASN 78 Ca 0.03 0.08 -0.29 0.00 0.71 0.00 0.00 56.30 56.82 2aby h ASN 78 Cb 0.59 -0.04 0.03 0.00 0.73 0.00 0.00 38.32 39.63 2aby h ASN 78 CO 0.03 0.24 -1.22 0.77 -1.29 0.00 0.00 177.43 175.96 2aby h SER 79 N 0.64 0.82 0.62 1.15 4.64 -1.02 -3.15 113.55 117.24 2aby h SER 79 Ca 0.55 -0.75 0.00 0.00 -0.47 0.00 0.00 61.79 61.12 2aby h SER 79 Cb 1.01 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 2aby h SER 79 CO -0.31 1.56 0.00 -2.11 -0.87 0.00 0.00 176.83 175.10 2aby n ARG 80 N -3.77 0.08 -1.27 4.77 -4.01 -0.23 -4.88 116.66 107.35 2aby n ARG 80 Ca -0.13 0.14 -0.39 0.00 -1.04 0.00 0.00 57.85 56.43 2aby n ARG 80 Cb 0.97 -1.50 0.01 0.00 -3.04 0.00 0.00 32.46 28.90 2aby n ARG 80 CO 0.00 0.00 0.00 -1.33 -3.04 0.00 0.00 177.63 173.26 2aby n MET 81 N -1.45 0.04 -1.74 2.89 2.81 0.11 -4.87 117.12 114.92 2aby n MET 81 Ca 0.06 0.02 -0.34 0.00 -1.81 0.00 0.00 57.70 55.63 2aby n MET 81 Cb 0.22 -1.05 0.05 0.00 -0.71 0.00 0.00 33.22 31.73 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 -1.08 2.69 0.30 0.03 -0.21 -1.26 -4.76 119.66 115.37 2aby s GLN 82 Ca 0.58 1.54 0.03 0.00 0.02 0.00 0.00 55.36 57.53 2aby s GLN 82 Cb -0.51 -1.92 0.61 0.00 1.00 0.00 0.00 33.01 32.18 2aby s GLN 82 CO 0.65 -1.36 1.86 -0.92 -2.12 0.00 0.00 175.29 173.39 2aby h TYR 83 N 0.11 1.05 0.16 0.91 5.03 -1.98 0.28 116.97 122.54 2aby h TYR 83 Ca -0.48 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 60.86 2aby h TYR 83 Cb 1.26 -0.34 0.00 0.00 1.55 0.00 0.00 36.73 39.21 2aby h TYR 83 CO 0.52 0.43 -0.08 0.77 -1.32 0.00 0.00 178.16 178.48 2aby h SER 84 N 0.93 -0.19 0.05 -2.11 0.02 -1.98 0.10 113.55 110.37 2aby h SER 84 Ca 0.47 -0.07 -0.08 0.00 -0.84 0.00 0.00 61.79 61.27 2aby h SER 84 Cb 0.50 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.07 2aby h SER 84 CO -0.23 -0.05 -0.25 -0.08 -1.14 0.00 0.00 176.83 175.07 2aby h GLU 85 N -0.31 0.34 -0.17 3.45 4.81 -1.77 -0.12 114.58 120.81 2aby h GLU 85 Ca -0.02 -0.12 -0.04 0.00 -0.13 0.00 0.00 59.36 59.05 2aby h GLU 85 Cb 0.24 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.59 2aby h GLU 85 CO 0.04 0.58 -0.06 1.25 -0.73 0.00 0.00 179.01 180.08 2aby h LEU 86 N 0.31 0.34 -0.90 1.64 7.12 -0.23 -0.28 115.31 123.32 2aby h LEU 86 Ca 0.05 -0.39 -0.07 0.00 0.13 0.00 0.00 57.88 57.60 2aby h LEU 86 Cb 0.61 -0.09 -0.01 0.00 -0.53 0.00 0.00 40.66 40.64 2aby h LEU 86 CO 0.04 0.65 -0.32 0.24 -0.13 0.00 0.00 178.44 178.93 2aby h MET 87 N 0.03 0.00 0.10 1.25 2.86 -0.69 -2.86 114.93 115.62 2aby h MET 87 Ca 0.04 0.00 -0.28 0.00 -2.06 0.00 0.00 59.70 57.40 2aby h MET 87 Cb 0.51 0.00 0.02 0.00 0.06 0.00 0.00 31.60 32.19 2aby h MET 87 CO 0.02 0.32 -1.19 1.15 1.06 0.00 0.00 176.91 178.27 2aby h THR 88 N 0.00 1.34 0.00 2.22 2.02 -0.88 0.29 112.91 117.90 2aby h THR 88 Ca -0.00 -2.55 0.00 0.00 0.77 0.00 0.00 66.41 64.63 2aby h THR 88 Cb 0.89 2.68 0.00 0.00 -1.74 0.00 0.00 68.15 69.98 2aby h THR 88 CO 0.04 0.77 0.00 1.17 0.37 0.00 0.00 175.52 177.87 2aby n LYS 89 N -3.74 0.02 -0.06 6.66 3.00 -0.13 0.66 118.16 124.58 2aby n LYS 89 Ca -0.12 0.10 -0.07 0.00 -0.00 0.00 0.00 58.31 58.23 2aby n LYS 89 Cb 0.96 -1.50 -0.07 0.00 0.00 0.00 0.00 35.03 34.42 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 -1.49 0.00 -0.02 5.64 9.36 -1.08 -3.73 117.16 125.84 2aby n TYR 90 Ca 0.06 0.00 -0.01 0.00 3.32 0.00 0.00 57.90 61.27 2aby n TYR 90 Cb 0.27 -0.51 -0.12 0.00 -0.63 0.00 0.00 39.34 38.34 2aby n TYR 90 CO 0.00 0.00 0.00 1.58 0.22 0.00 0.00 176.86 178.66 2aby n HIS 91 N -2.56 0.50 -0.12 2.98 -0.00 0.10 -3.85 115.22 112.27 2aby n HIS 91 Ca -0.19 0.17 -0.22 0.00 0.46 0.00 0.00 57.72 57.93 2aby n HIS 91 Cb 0.81 -0.95 -0.08 0.00 -0.12 0.00 0.00 29.99 29.65 2aby n HIS 91 CO 0.00 0.00 0.00 -3.47 0.46 0.00 0.00 176.34 173.33 2aby n ASP 92 N -2.72 1.94 0.31 0.26 2.03 0.21 -4.37 116.55 114.21 2aby n ASP 92 Ca -0.16 0.35 0.20 0.00 0.52 0.00 0.00 54.79 55.70 2aby n ASP 92 Cb 0.88 -0.80 1.06 0.00 -0.72 0.00 0.00 41.12 41.54 2aby n ASP 92 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 2aby h LEU 93 N -1.00 0.00 -1.26 -2.67 7.12 -1.44 -0.24 115.31 115.83 2aby h LEU 93 Ca -0.46 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.55 2aby h LEU 93 Cb 1.38 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.51 2aby h LEU 93 CO -0.28 0.00 0.00 0.07 -0.13 0.00 0.00 178.44 178.10 2aby h LYS 94 N 0.00 0.00 -0.94 1.25 5.09 -1.74 -0.16 116.57 120.07 2aby h LYS 94 Ca 0.00 0.00 0.13 0.00 0.09 0.00 0.00 60.65 60.87 2aby h LYS 94 Cb 0.09 0.00 -0.08 0.00 0.10 0.00 0.00 32.23 32.34 2aby h LYS 94 CO 0.00 0.00 0.60 0.87 -2.09 0.00 0.00 179.45 178.83 2aby h LYS 95 N 0.00 0.81 0.00 0.07 1.79 -1.29 -3.25 116.57 114.70 2aby h LYS 95 Ca 0.00 -0.05 -0.03 0.00 -2.18 0.00 0.00 60.65 58.40 2aby h LYS 95 Cb 0.17 -0.18 -0.00 0.00 -1.58 0.00 0.00 32.23 30.64 2aby h LYS 95 CO 0.00 0.53 -1.10 0.00 -1.08 0.00 0.00 179.45 177.80 2aby n GLN 96 N -4.59 3.55 -0.88 3.15 10.64 -1.04 -5.06 117.38 123.15 2aby n GLN 96 Ca 0.18 -0.00 -0.14 0.00 -1.83 0.00 0.00 57.00 55.21 2aby n GLN 96 Cb 0.42 -1.04 0.10 0.00 -0.86 0.00 0.00 30.24 28.85 2aby n GLN 96 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2aby n GLY 97 N 2.88 -1.36 3.15 2.61 0.00 -0.10 -5.11 105.19 107.25 2aby n GLY 97 Ca -0.02 -1.68 -0.10 0.00 0.00 0.00 0.00 46.02 44.22 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 -4.36 0.63 -0.04 1.61 0.00 -1.26 -4.71 119.74 111.61 2aby s LYS 98 Ca 0.35 -0.64 -0.07 0.00 0.00 0.00 0.00 55.97 55.62 2aby s LYS 98 Cb -0.01 0.25 0.01 0.00 0.00 0.00 0.00 37.83 38.09 2aby s LYS 98 CO 0.25 -0.17 0.16 -1.50 0.00 0.00 0.00 175.35 174.09 2aby s ILE 99 N -2.41 0.03 -0.01 3.79 -1.16 -1.26 -4.34 121.20 115.83 2aby s ILE 99 Ca -0.06 -0.26 0.07 0.00 -0.51 0.00 0.00 60.65 59.88 2aby s ILE 99 Cb -0.02 -0.33 -0.02 0.00 0.61 0.00 0.00 42.46 42.71 2aby s ILE 99 CO -0.03 -0.14 -0.22 -0.54 -2.81 0.00 0.00 174.94 171.20 2aby s LYS 100 N -0.48 1.73 -0.86 3.50 -0.14 -1.26 -4.99 119.74 117.24 2aby s LYS 100 Ca -0.06 -0.78 0.00 0.00 -1.36 0.00 0.00 55.97 53.77 2aby s LYS 100 Cb -0.04 -1.68 0.21 0.00 -1.68 0.00 0.00 37.83 34.64 2aby s LYS 100 CO 0.01 0.46 0.73 -0.40 -0.76 0.00 0.00 175.35 175.39 2aby n ASP 101 N 2.51 3.96 -4.79 2.83 5.75 -1.26 -4.69 116.55 120.85 2aby n ASP 101 Ca -0.15 -3.16 -0.31 0.00 -0.01 0.00 0.00 54.79 51.16 2aby n ASP 101 Cb 0.53 -0.98 0.07 0.00 -1.03 0.00 0.00 41.12 39.71 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 -1.45 2.49 0.19 0.11 0.52 -1.26 -4.99 118.95 114.57 2aby s ARG 102 Ca 0.27 0.99 -0.30 0.00 -0.52 0.00 0.00 55.73 56.17 2aby s ARG 102 Cb -0.06 -1.94 -0.09 0.00 0.52 0.00 0.00 34.95 33.39 2aby s ARG 102 CO -0.13 -1.42 1.31 -1.25 0.02 0.00 0.00 175.30 173.82 2aby s PRO 103 N -5.00 4.39 0.22 3.54 0.04 -1.26 -4.99 135.00 131.93 2aby s PRO 103 Ca 0.60 2.05 -0.30 0.00 0.04 0.00 0.00 61.00 63.39 2aby s PRO 103 Cb -0.15 -3.20 -0.09 0.00 0.04 0.00 0.00 34.50 31.10 2aby s PRO 103 CO 0.55 -0.26 1.19 0.54 0.04 0.00 0.00 177.00 179.06 2aby s VAL 104 N 0.17 3.47 0.08 -0.36 0.11 -1.26 -4.91 120.40 117.70 2aby s VAL 104 Ca 0.57 1.30 -0.21 0.00 -2.93 0.00 0.00 61.98 60.71 2aby s VAL 104 Cb -0.36 -3.83 -0.07 0.00 -1.53 0.00 0.00 36.38 30.59 2aby s VAL 104 CO 0.38 0.24 0.62 -0.54 -3.33 0.00 0.00 175.10 172.46 2aby s LYS 105 N -0.62 4.29 0.24 1.54 -0.14 -0.75 -4.78 119.74 119.53 2aby s LYS 105 Ca 0.51 0.82 -0.30 0.00 -1.36 0.00 0.00 55.97 55.64 2aby s LYS 105 Cb -0.33 -3.26 -0.09 0.00 -1.68 0.00 0.00 37.83 32.47 2aby s LYS 105 CO 0.39 0.57 1.08 -1.21 -0.76 0.00 0.00 175.35 175.42 2aby s GLU 106 N -0.94 4.66 -0.08 1.68 2.02 -1.26 0.32 118.70 125.10 2aby s GLU 106 Ca 0.31 1.73 -0.00 0.00 0.02 0.00 0.00 54.97 57.03 2aby s GLU 106 Cb -0.20 -3.23 -0.03 0.00 0.10 0.00 0.00 34.13 30.77 2aby s GLU 106 CO 0.20 0.21 -0.04 0.08 0.02 0.00 0.00 175.26 175.73 2aby s VAL 107 N -0.86 3.92 0.47 2.63 1.01 -0.39 -4.86 120.40 122.32 2aby s VAL 107 Ca 0.46 -0.39 0.02 0.00 0.00 0.00 0.00 61.98 62.06 2aby s VAL 107 Cb -0.30 -2.62 -0.02 0.00 0.00 0.00 0.00 36.38 33.43 2aby s VAL 107 CO 0.38 0.60 0.04 -1.00 0.00 0.00 0.00 175.10 175.11 2aby s HIS 108 N -0.80 1.90 -0.20 5.22 3.76 -1.26 -4.19 115.29 119.72 2aby s HIS 108 Ca 0.12 -1.01 -0.29 0.00 -0.15 0.00 0.00 55.06 53.73 2aby s HIS 108 Cb -0.11 -1.50 -0.00 0.00 1.11 0.00 0.00 32.58 32.07 2aby s HIS 108 CO 0.02 0.11 1.13 -1.21 -0.85 0.00 0.00 174.74 173.94 2aby s GLU 109 N -3.82 4.25 0.00 1.40 2.02 -1.26 -4.92 118.70 116.38 2aby s GLU 109 Ca 0.14 1.49 0.00 0.00 0.02 0.00 0.00 54.97 56.61 2aby s GLU 109 Cb 0.03 -3.69 0.00 0.00 0.10 0.00 0.00 34.13 30.57 2aby s GLU 109 CO 0.07 -0.65 0.00 -1.91 0.02 0.00 0.00 175.26 172.79 2aby n GLU 110 N 6.38 -1.05 -3.62 1.61 2.13 -1.26 -5.07 120.64 119.77 2aby n GLU 110 Ca 0.13 0.00 -0.31 0.00 0.66 0.00 0.00 57.16 57.63 2aby n GLU 110 Cb 0.46 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 32.08 2aby n GLU 110 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 2aby n TYR 111 N 3.20 3.60 0.00 4.31 4.01 -1.26 -4.86 117.16 126.16 2aby n TYR 111 Ca 0.00 -4.08 0.00 0.00 -0.16 0.00 0.00 57.90 53.66 2aby n TYR 111 Cb 0.00 -0.82 0.00 0.00 -0.31 0.00 0.00 39.34 38.21 2aby n TYR 111 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 2aby n ASP 112 N 1.71 0.00 -3.14 7.72 2.03 -1.26 -5.09 116.55 118.53 2aby n ASP 112 Ca 0.24 0.00 -0.16 0.00 0.52 0.00 0.00 54.79 55.39 2aby n ASP 112 Cb 0.37 -0.02 0.16 0.00 -0.72 0.00 0.00 41.12 40.90 2aby n ASP 112 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2aby n LEU 113 N -1.48 0.00 -0.29 -2.67 -0.00 -1.26 -4.89 117.00 106.42 2aby n LEU 113 Ca 0.00 -0.46 -0.05 0.00 -0.00 0.00 0.00 56.01 55.50 2aby n LEU 113 Cb 0.00 -0.54 0.07 0.00 -0.00 0.00 0.00 43.42 42.95 2aby n LEU 113 CO 0.00 -2.22 1.14 -0.50 -0.00 0.00 0.00 177.39 175.81 2aby h TRP 114 N -2.85 1.06 -6.11 1.47 -0.00 -2.00 -3.47 115.95 104.05 2aby h TRP 114 Ca -0.21 -0.02 -0.35 0.00 -0.00 0.00 0.00 58.89 58.31 2aby h TRP 114 Cb 0.70 -0.34 0.06 0.00 -0.00 0.00 0.00 29.16 29.58 2aby h TRP 114 CO 0.00 0.73 -0.79 0.39 -0.00 0.00 0.00 178.44 178.77 2aby n GLU 115 N -4.45 -1.34 0.01 0.49 -0.58 -1.26 -4.73 120.64 108.78 2aby n GLU 115 Ca 0.07 0.72 0.00 0.00 -0.42 0.00 0.00 57.16 57.53 2aby n GLU 115 Cb 0.08 -4.21 0.00 0.00 -0.57 0.00 0.00 31.44 26.74 2aby n GLU 115 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2aby n ASP 116 N -2.53 -0.25 0.02 1.62 8.00 -1.26 -4.91 116.55 117.24 2aby n ASP 116 Ca -0.11 0.42 -0.13 0.00 0.71 0.00 0.00 54.79 55.68 2aby n ASP 116 Cb 0.59 0.60 -0.09 0.00 -0.02 0.00 0.00 41.12 42.20 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 -0.09 0.00 -0.24 0.13 -1.90 -2.01 132.00 127.88 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 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.15 2aby h PRO 117 CO 0.00 0.36 -0.09 0.44 -0.23 0.00 0.00 178.00 178.48 2aby n ILE 118 N -4.91 0.08 0.01 -3.56 -6.64 -1.26 -2.95 119.36 100.13 2aby n ILE 118 Ca -0.08 -0.04 -0.08 0.00 -1.77 0.00 0.00 62.75 60.78 2aby n ILE 118 Cb 0.25 -0.39 -0.13 0.00 -1.44 0.00 0.00 39.64 37.93 2aby n ILE 118 CO 0.00 0.00 0.00 -0.25 -1.77 0.00 0.00 176.55 174.53 2aby h TRP 119 N 0.00 0.00 0.00 4.28 -0.00 -1.90 -3.42 115.95 114.90 2aby h TRP 119 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.89 2aby h TRP 119 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.69 2aby h TRP 119 CO 0.00 0.99 0.00 0.94 -0.00 0.00 0.00 178.44 180.37 2aby n GLN 120 N -3.14 0.00 -3.80 2.65 -0.06 -0.76 -4.97 117.38 107.30 2aby n GLN 120 Ca -0.11 0.19 -0.08 0.00 -2.00 0.00 0.00 57.00 54.99 2aby n GLN 120 Cb 1.01 -0.62 0.03 0.00 -4.06 0.00 0.00 30.24 26.60 2aby n GLN 120 CO 0.00 0.00 0.00 0.98 -0.20 0.00 0.00 177.06 177.84 2aby n TYR 121 N -1.57 -2.30 0.00 3.69 9.36 -1.15 -5.11 117.16 120.08 2aby n TYR 121 Ca 0.00 -1.82 0.00 0.00 3.32 0.00 0.00 57.90 59.40 2aby n TYR 121 Cb 0.00 0.91 0.00 0.00 -0.63 0.00 0.00 39.34 39.62 2aby n TYR 121 CO 0.00 0.00 0.00 -0.89 0.22 0.00 0.00 176.86 176.19