#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 3.80 -3.62 2.12 1.13 -1.26 -4.79 117.38 114.76 2aby n GLN 2 Ca 0.00 -2.34 -0.04 0.00 -1.94 0.00 0.00 57.00 52.68 2aby n GLN 2 Cb 0.00 -2.79 -0.04 0.00 0.11 0.00 0.00 30.24 27.53 2aby n GLN 2 CO 0.00 0.00 0.00 -1.59 -1.44 0.00 0.00 177.06 174.03 2aby s LYS 3 N 1.82 0.21 0.00 -1.09 -2.85 -1.26 -5.02 119.74 111.55 2aby s LYS 3 Ca 0.68 0.01 0.00 0.00 -1.00 0.00 0.00 55.97 55.66 2aby s LYS 3 Cb 0.18 0.10 0.00 0.00 -2.06 0.00 0.00 37.83 36.05 2aby s LYS 3 CO -0.06 -0.08 0.00 0.41 0.10 0.00 0.00 175.35 175.72 2aby n GLY 4 N 0.38 1.55 3.17 0.59 0.00 -1.26 -5.04 105.19 104.58 2aby n GLY 4 Ca -0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 2aby n GLY 4 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2aby s LEU 5 N 0.00 2.50 -0.16 0.99 2.01 -1.26 -3.03 118.68 119.73 2aby s LEU 5 Ca 0.00 -0.99 -0.14 0.00 0.01 0.00 0.00 54.13 53.01 2aby s LEU 5 Cb 0.00 -0.08 -0.05 0.00 0.01 0.00 0.00 46.19 46.07 2aby s LEU 5 CO 0.00 -0.45 0.28 -1.61 1.01 0.00 0.00 176.35 175.58 2aby s GLU 6 N -3.76 4.25 -0.00 1.70 2.02 -1.26 -3.94 118.70 117.72 2aby s GLU 6 Ca 0.11 0.07 -0.05 0.00 0.02 0.00 0.00 54.97 55.13 2aby s GLU 6 Cb 0.05 -3.43 -0.00 0.00 0.10 0.00 0.00 34.13 30.85 2aby s GLU 6 CO -0.04 0.23 0.09 0.96 0.02 0.00 0.00 175.26 176.52 2aby s ILE 7 N 0.49 0.07 0.06 -1.63 -0.00 0.93 -4.98 121.20 116.14 2aby s ILE 7 Ca 0.16 -0.60 0.07 0.00 -0.00 0.00 0.00 60.65 60.28 2aby s ILE 7 Cb -0.13 -0.33 -0.04 0.00 -0.00 0.00 0.00 42.46 41.97 2aby s ILE 7 CO 0.03 -0.33 -0.16 0.00 -0.00 0.00 0.00 174.94 174.49 2aby s ALA 8 N -1.10 2.70 -0.03 2.27 0.00 -1.26 -1.70 121.76 122.64 2aby s ALA 8 Ca -0.12 -1.22 0.05 0.00 0.00 0.00 0.00 51.96 50.67 2aby s ALA 8 Cb -0.07 -0.78 -0.01 0.00 0.00 0.00 0.00 23.12 22.26 2aby s ALA 8 CO 0.01 0.59 -0.18 0.12 0.00 0.00 0.00 175.76 176.30 2aby s PHE 9 N -1.02 1.71 -0.27 0.00 5.36 -0.66 -4.67 117.98 118.43 2aby s PHE 9 Ca 0.16 -0.42 -0.05 0.00 -0.96 0.00 0.00 56.93 55.67 2aby s PHE 9 Cb -0.11 -1.13 0.01 0.00 -0.34 0.00 0.00 43.02 41.45 2aby s PHE 9 CO 0.08 -0.11 0.02 -1.14 -1.46 0.00 0.00 175.22 172.61 2aby s GLN 10 N -0.18 3.11 0.19 10.12 2.00 -1.22 -0.92 119.66 132.76 2aby s GLN 10 Ca 0.01 -0.82 0.06 0.00 -2.00 0.00 0.00 55.36 52.61 2aby s GLN 10 Cb -0.10 -3.20 -0.05 0.00 0.80 0.00 0.00 33.01 30.47 2aby s GLN 10 CO 0.01 -0.37 -0.12 -0.08 -0.50 0.00 0.00 175.29 174.23 2aby s THR 11 N 1.45 1.50 0.37 -0.34 -1.32 0.13 -4.90 115.64 112.53 2aby s THR 11 Ca 0.03 -2.15 -0.16 0.00 -1.21 0.00 0.00 61.69 58.20 2aby s THR 11 Cb -0.16 -2.01 0.06 0.00 -1.51 0.00 0.00 72.50 68.87 2aby s THR 11 CO -0.00 -0.62 0.82 0.27 -2.21 0.00 0.00 174.62 172.88 2aby s ILE 12 N -3.12 0.00 -0.59 5.08 -5.25 -1.26 -0.59 121.20 115.47 2aby s ILE 12 Ca 0.21 -0.95 -0.32 0.00 -0.99 0.00 0.00 60.65 58.60 2aby s ILE 12 Cb 0.01 -2.94 -0.14 0.00 2.95 0.00 0.00 42.46 42.34 2aby s ILE 12 CO 0.05 0.00 2.41 0.59 -1.79 0.00 0.00 174.94 176.20 2aby n ASN 13 N -1.45 1.56 0.00 4.36 4.13 -1.26 -4.39 115.26 118.21 2aby n ASN 13 Ca -0.08 0.09 0.00 0.00 1.68 0.00 0.00 54.58 56.27 2aby n ASN 13 Cb 0.60 -1.23 0.00 0.00 -1.54 0.00 0.00 39.78 37.60 2aby n ASN 13 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2aby n GLY 14 N 6.43 -0.15 0.44 7.41 0.00 -1.26 -4.99 105.19 113.08 2aby n GLY 14 Ca 0.48 0.51 0.07 0.00 0.00 0.00 0.00 46.02 47.08 2aby n GLY 14 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2aby n LEU 15 N 0.00 2.17 -0.03 0.99 4.32 -1.26 -4.65 117.00 118.54 2aby n LEU 15 Ca 0.00 -3.14 0.03 0.00 -0.02 0.00 0.00 56.01 52.88 2aby n LEU 15 Cb 0.00 -0.40 -0.15 0.00 -1.62 0.00 0.00 43.42 41.26 2aby n LEU 15 CO 0.00 0.93 -0.78 0.47 -1.22 0.00 0.00 177.39 176.79 2aby n ASP 16 N -1.02 0.15 -0.21 -1.43 9.92 -1.26 -4.40 116.55 118.30 2aby n ASP 16 Ca 0.15 0.06 0.02 0.00 -0.53 0.00 0.00 54.79 54.49 2aby n ASP 16 Cb 0.71 1.40 0.12 0.00 -0.64 0.00 0.00 41.12 42.71 2aby n ASP 16 CO 0.00 0.00 0.00 1.05 0.13 0.00 0.00 177.20 178.38 2aby h GLU 17 N 0.00 0.18 -0.78 -1.24 4.11 -1.83 0.12 114.58 115.14 2aby h GLU 17 Ca -0.19 -0.01 0.02 0.00 0.07 0.00 0.00 59.36 59.25 2aby h GLU 17 Cb 1.45 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.61 2aby h GLU 17 CO 0.01 0.12 0.51 0.77 0.07 0.00 0.00 179.01 180.49 2aby h SER 18 N 0.19 0.87 -0.46 3.06 0.02 -1.93 -1.28 113.55 114.01 2aby h SER 18 Ca 0.34 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.24 2aby h SER 18 Cb 0.54 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.85 2aby h SER 18 CO -0.49 0.61 0.18 0.25 -1.14 0.00 0.00 176.83 176.24 2aby h LEU 19 N 1.02 0.68 0.28 5.07 7.12 -1.26 0.16 115.31 128.39 2aby h LEU 19 Ca 0.30 -0.09 -0.01 0.00 0.13 0.00 0.00 57.88 58.21 2aby h LEU 19 Cb -0.06 -0.18 0.00 0.00 -0.53 0.00 0.00 40.66 39.90 2aby h LEU 19 CO -0.09 0.64 -0.13 0.58 -0.13 0.00 0.00 178.44 179.31 2aby h VAL 20 N 0.73 0.72 0.00 1.05 2.07 -0.39 0.27 116.25 120.70 2aby h VAL 20 Ca 0.17 -0.71 -0.03 0.00 0.82 0.00 0.00 66.70 66.95 2aby h VAL 20 Cb 0.19 1.07 -0.00 0.00 -1.52 0.00 0.00 31.29 31.02 2aby h VAL 20 CO -0.01 0.14 -0.16 1.56 0.02 0.00 0.00 177.57 179.11 2aby h GLN 21 N -0.78 0.00 0.00 1.57 1.08 -1.18 -1.17 115.11 114.63 2aby h GLN 21 Ca -0.04 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.16 2aby h GLN 21 Cb 0.51 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.94 2aby h GLN 21 CO 0.06 0.16 -0.00 0.00 -0.95 0.00 0.00 178.83 178.10 2aby h ALA 22 N 1.84 -0.00 -0.55 3.87 0.00 -0.61 -3.07 119.26 120.74 2aby h ALA 22 Ca -0.00 -0.37 0.02 0.00 0.00 0.00 0.00 54.91 54.56 2aby h ALA 22 Cb 0.37 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 2aby h ALA 22 CO 0.02 -0.01 0.36 1.37 0.00 0.00 0.00 179.25 180.99 2aby h LEU 23 N -0.99 0.59 -0.54 0.00 8.10 -0.38 -1.58 115.31 120.50 2aby h LEU 23 Ca -0.00 -0.01 -0.06 0.00 0.11 0.00 0.00 57.88 57.92 2aby h LEU 23 Cb 0.74 -0.14 -0.02 0.00 -0.44 0.00 0.00 40.66 40.80 2aby h LEU 23 CO 0.00 0.42 0.10 0.00 -4.11 0.00 0.00 178.44 174.85 2aby h ALA 24 N 1.67 0.72 -0.04 0.17 0.00 -1.33 -0.82 119.26 119.62 2aby h ALA 24 Ca 0.21 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2aby h ALA 24 Cb -0.00 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 2aby h ALA 24 CO -0.05 0.45 -0.01 0.78 0.00 0.00 0.00 179.25 180.41 2aby h GLY 25 N 0.78 0.09 1.20 0.00 0.00 -1.28 -1.64 103.07 102.22 2aby h GLY 25 Ca 0.17 -0.08 -0.02 0.00 0.00 0.00 0.00 47.33 47.40 2aby h GLY 25 CO 0.01 0.07 0.38 -0.24 0.00 0.00 0.00 176.54 176.76 2aby h VAL 26 N -0.28 1.23 0.21 4.60 3.04 -1.31 -0.99 116.25 122.76 2aby h VAL 26 Ca 0.01 -0.61 -0.01 0.00 -1.01 0.00 0.00 66.70 65.08 2aby h VAL 26 Cb 0.41 0.26 0.00 0.00 -2.01 0.00 0.00 31.29 29.95 2aby h VAL 26 CO 0.00 0.26 -0.10 0.71 -1.01 0.00 0.00 177.57 177.44 2aby h THR 27 N 1.04 0.87 -0.97 3.17 1.35 -1.12 0.30 112.91 117.55 2aby h THR 27 Ca 0.26 -0.55 0.04 0.00 -0.55 0.00 0.00 66.41 65.61 2aby h THR 27 Cb 0.07 1.19 -0.06 0.00 -1.73 0.00 0.00 68.15 67.63 2aby h THR 27 CO -0.04 0.12 0.64 0.00 -0.25 0.00 0.00 175.52 175.99 2aby h ALA 28 N 0.15 1.39 -0.01 6.62 0.00 -1.17 0.27 119.26 126.50 2aby h ALA 28 Ca -0.03 -0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.67 2aby h ALA 28 Cb 0.42 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2aby h ALA 28 CO 0.05 0.51 -0.77 0.66 0.00 0.00 0.00 179.25 179.69 2aby h SER 29 N 1.21 0.17 1.63 0.00 4.64 -1.11 -3.04 113.55 117.05 2aby h SER 29 Ca 0.39 -0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 2aby h SER 29 Cb 0.04 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 2aby h SER 29 CO -0.13 0.88 -0.04 -0.78 -0.87 0.00 0.00 176.83 175.89 2aby h ASP 30 N 0.09 0.00 -2.69 4.97 3.58 0.44 -3.37 116.42 119.44 2aby h ASP 30 Ca -0.02 -0.01 -0.68 0.00 0.42 0.00 0.00 57.03 56.74 2aby h ASP 30 Cb 1.35 0.00 -0.37 0.00 1.72 0.00 0.00 39.33 42.03 2aby h ASP 30 CO 0.11 0.00 -0.14 0.49 -2.88 0.00 0.00 179.24 176.83 2aby n PHE 31 N -2.56 3.42 0.30 0.28 3.72 0.88 -4.85 117.46 118.65 2aby n PHE 31 Ca 0.05 -3.78 0.16 0.00 -0.05 0.00 0.00 57.45 53.83 2aby n PHE 31 Cb 0.47 -0.87 0.67 0.00 -0.94 0.00 0.00 39.48 38.81 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 4.98 0.00 0.00 -1.08 0.13 -1.73 -2.69 132.00 131.62 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 0.96 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 178.33 2aby n ASP 33 N -2.92 0.30 -0.62 1.44 5.68 -1.26 -4.83 116.55 114.33 2aby n ASP 33 Ca 0.01 0.58 -0.08 0.00 -0.50 0.00 0.00 54.79 54.80 2aby n ASP 33 Cb 0.28 -0.64 -0.03 0.00 -1.14 0.00 0.00 41.12 39.58 2aby n ASP 33 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2aby n LEU 34 N -1.84 -0.22 -0.13 -2.12 4.77 -1.01 -4.82 117.00 111.61 2aby n LEU 34 Ca 0.02 0.20 0.14 0.00 -0.03 0.00 0.00 56.01 56.34 2aby n LEU 34 Cb 0.16 -2.15 0.61 0.00 -2.33 0.00 0.00 43.42 39.71 2aby n LEU 34 CO 0.14 -0.79 0.87 0.47 -1.33 0.00 0.00 177.39 176.75 2aby n ASP 35 N -0.65 0.53 -4.66 -1.43 8.00 -1.26 -4.83 116.55 112.24 2aby n ASP 35 Ca -0.08 -0.65 -0.43 0.00 0.71 0.00 0.00 54.79 54.35 2aby n ASP 35 Cb 0.45 -0.06 -0.02 0.00 -0.02 0.00 0.00 41.12 41.47 2aby n ASP 35 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 2aby s ILE 36 N -2.44 4.07 -0.86 0.53 2.07 -1.26 -4.05 121.20 119.27 2aby s ILE 36 Ca 0.30 1.31 -0.00 0.00 -1.41 0.00 0.00 60.65 60.84 2aby s ILE 36 Cb 0.20 -3.84 0.21 0.00 0.13 0.00 0.00 42.46 39.16 2aby s ILE 36 CO 0.47 -0.11 0.72 -0.54 -1.91 0.00 0.00 174.94 173.57 2aby s LYS 37 N 3.57 3.12 0.35 3.50 -0.14 -0.35 -5.03 119.74 124.77 2aby s LYS 37 Ca 0.60 -3.29 0.07 0.00 -1.36 0.00 0.00 55.97 51.99 2aby s LYS 37 Cb -0.25 -3.86 -0.07 0.00 -1.68 0.00 0.00 37.83 31.98 2aby s LYS 37 CO 0.19 -1.27 -0.03 1.52 -0.76 0.00 0.00 175.35 175.00 2aby s TYR 38 N -1.36 2.28 -0.10 3.18 1.13 -1.26 -0.13 117.35 121.09 2aby s TYR 38 Ca 0.27 -0.66 -0.30 0.00 -1.41 0.00 0.00 57.07 54.97 2aby s TYR 38 Cb -0.07 -1.44 0.12 0.00 -1.10 0.00 0.00 41.96 39.48 2aby s TYR 38 CO -0.13 0.40 0.99 1.21 -2.51 0.00 0.00 175.55 175.51 2aby s ASN 39 N -3.59 -0.32 -0.16 -0.18 3.04 -0.05 -4.97 114.94 108.70 2aby s ASN 39 Ca 0.33 0.16 0.02 0.00 0.04 0.00 0.00 52.86 53.41 2aby s ASN 39 Cb 0.06 0.31 0.02 0.00 -1.54 0.00 0.00 41.25 40.09 2aby s ASN 39 CO 0.16 -0.44 -0.21 -0.63 -3.04 0.00 0.00 177.10 172.94 2aby s ILE 40 N -2.18 2.06 0.12 -5.21 1.01 -1.26 -1.10 121.20 114.64 2aby s ILE 40 Ca 0.03 -0.96 0.05 0.00 0.00 0.00 0.00 60.65 59.78 2aby s ILE 40 Cb -0.01 -1.84 -0.04 0.00 0.01 0.00 0.00 42.46 40.58 2aby s ILE 40 CO -0.04 0.54 -0.13 0.72 0.00 0.00 0.00 174.94 176.03 2aby s PHE 41 N 1.09 1.33 -0.17 3.97 -0.12 -0.69 -1.68 117.98 121.71 2aby s PHE 41 Ca -0.00 -0.58 -0.01 0.00 -0.05 0.00 0.00 56.93 56.29 2aby s PHE 41 Cb -0.14 -0.70 -0.00 0.00 -0.63 0.00 0.00 43.02 41.55 2aby s PHE 41 CO -0.08 0.12 -0.12 -1.17 -0.05 0.00 0.00 175.22 173.91 2aby s LEU 42 N -2.47 2.59 -0.12 -1.99 2.96 0.17 -1.64 118.68 118.17 2aby s LEU 42 Ca 0.08 -0.45 -0.05 0.00 -0.22 0.00 0.00 54.13 53.50 2aby s LEU 42 Cb -0.04 -1.61 -0.04 0.00 0.50 0.00 0.00 46.19 45.00 2aby s LEU 42 CO 0.02 0.05 0.07 0.68 -1.32 0.00 0.00 176.35 175.86 2aby s VAL 43 N 1.01 4.94 -0.24 1.68 -7.23 -0.03 -0.95 120.40 119.58 2aby s VAL 43 Ca -0.01 -0.00 -0.02 0.00 -1.81 0.00 0.00 61.98 60.13 2aby s VAL 43 Cb -0.15 -3.14 0.08 0.00 0.56 0.00 0.00 36.38 33.73 2aby s VAL 43 CO -0.02 0.59 0.06 -0.62 -0.31 0.00 0.00 175.10 174.79 2aby s ASP 44 N -0.76 3.37 0.06 4.85 2.15 -1.26 -0.03 116.67 125.05 2aby s ASP 44 Ca 0.13 -1.13 -0.17 0.00 0.43 0.00 0.00 52.55 51.80 2aby s ASP 44 Cb -0.12 -0.70 0.03 0.00 -0.30 0.00 0.00 42.92 41.84 2aby s ASP 44 CO 0.03 -0.35 0.40 -0.22 -0.17 0.00 0.00 175.17 174.86 2aby s LEU 45 N 1.77 0.46 -1.15 -1.34 1.98 0.22 -4.92 118.68 115.70 2aby s LEU 45 Ca 0.03 -0.08 -0.04 0.00 -2.89 0.00 0.00 54.13 51.14 2aby s LEU 45 Cb -0.17 1.71 0.00 0.00 0.66 0.00 0.00 46.19 48.39 2aby s LEU 45 CO -0.15 -0.69 0.53 -1.22 -1.89 0.00 0.00 176.35 172.92 2aby n TYR 46 N 0.38 -1.60 -0.98 5.38 4.01 -1.26 -1.83 117.16 121.26 2aby n TYR 46 Ca -0.18 0.46 0.00 0.00 -0.16 0.00 0.00 57.90 58.02 2aby n TYR 46 Cb 0.60 -3.72 0.00 0.00 -0.31 0.00 0.00 39.34 35.91 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 -1.39 0.14 3.03 2.72 0.00 -1.26 -4.95 105.19 103.48 2aby n GLY 47 Ca -0.07 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.43 0.87 -0.11 1.61 -1.52 -0.76 -5.14 119.66 113.18 2aby s GLN 48 Ca 0.00 -0.34 0.02 0.00 -1.95 0.00 0.00 55.36 53.09 2aby s GLN 48 Cb 0.00 -0.83 -0.01 0.00 -0.22 0.00 0.00 33.01 31.95 2aby s GLN 48 CO 0.00 0.19 -0.19 -1.59 -0.25 0.00 0.00 175.29 173.45 2aby s LYS 49 N -0.10 3.11 0.11 2.91 0.00 -1.26 -0.61 119.74 123.90 2aby s LYS 49 Ca 0.02 -0.79 0.04 0.00 0.00 0.00 0.00 55.97 55.24 2aby s LYS 49 Cb -0.05 -2.43 -0.04 0.00 0.00 0.00 0.00 37.83 35.31 2aby s LYS 49 CO -0.00 0.24 -0.11 0.71 0.00 0.00 0.00 175.35 176.19 2aby s TYR 50 N 0.23 1.18 -0.17 1.78 1.51 0.95 -4.92 117.35 117.92 2aby s TYR 50 Ca -0.12 -0.64 -0.07 0.00 -1.01 0.00 0.00 57.07 55.22 2aby s TYR 50 Cb -0.16 -0.63 -0.04 0.00 -0.11 0.00 0.00 41.96 41.02 2aby s TYR 50 CO 0.07 0.05 0.07 -0.06 -1.11 0.00 0.00 175.55 174.57 2aby s PHE 51 N -2.48 3.29 0.02 2.71 0.40 0.25 -0.85 117.98 121.32 2aby s PHE 51 Ca 0.08 0.14 0.02 0.00 -0.60 0.00 0.00 56.93 56.58 2aby s PHE 51 Cb -0.03 -2.05 -0.02 0.00 0.51 0.00 0.00 43.02 41.44 2aby s PHE 51 CO 0.01 0.25 -0.08 1.03 0.70 0.00 0.00 175.22 177.13 2aby s ARG 52 N 0.13 0.55 -0.05 0.44 0.52 -0.65 0.19 118.95 120.08 2aby s ARG 52 Ca 0.05 -0.53 0.06 0.00 -0.52 0.00 0.00 55.73 54.79 2aby s ARG 52 Cb -0.12 -0.44 -0.01 0.00 0.52 0.00 0.00 34.95 34.90 2aby s ARG 52 CO 0.00 0.10 -0.23 0.96 0.02 0.00 0.00 175.30 176.16 2aby s ILE 53 N -0.80 1.88 -0.24 1.52 -5.25 -0.10 -1.70 121.20 116.51 2aby s ILE 53 Ca -0.04 -0.98 -0.03 0.00 -0.99 0.00 0.00 60.65 58.62 2aby s ILE 53 Cb -0.07 -1.59 0.01 0.00 2.95 0.00 0.00 42.46 43.77 2aby s ILE 53 CO 0.00 0.53 -0.04 -0.22 -1.79 0.00 0.00 174.94 173.41 2aby s LEU 54 N -0.20 3.10 -0.14 0.37 0.20 -0.26 -1.66 118.68 120.09 2aby s LEU 54 Ca -0.01 -0.66 0.02 0.00 0.69 0.00 0.00 54.13 54.16 2aby s LEU 54 Cb -0.12 -1.71 0.01 0.00 -0.43 0.00 0.00 46.19 43.94 2aby s LEU 54 CO 0.02 -0.09 -0.19 0.12 -0.29 0.00 0.00 176.35 175.92 2aby s PHE 55 N 1.40 2.51 0.06 5.38 5.36 -0.69 -0.87 117.98 131.13 2aby s PHE 55 Ca 0.03 -1.33 0.03 0.00 -0.96 0.00 0.00 56.93 54.70 2aby s PHE 55 Cb -0.16 -1.74 -0.03 0.00 -0.34 0.00 0.00 43.02 40.75 2aby s PHE 55 CO -0.04 -0.64 -0.09 1.14 -1.46 0.00 0.00 175.22 174.13 2aby s GLN 56 N 1.03 0.64 0.41 10.12 -2.07 0.82 -0.05 119.66 130.56 2aby s GLN 56 Ca -0.03 -0.90 0.08 0.00 -1.82 0.00 0.00 55.36 52.69 2aby s GLN 56 Cb -0.15 -0.39 -0.04 0.00 -1.09 0.00 0.00 33.01 31.34 2aby s GLN 56 CO -0.05 0.07 0.24 -1.12 -1.32 0.00 0.00 175.29 173.10 2aby s SER 57 N -1.87 4.66 -0.15 12.60 0.01 -1.25 -1.21 113.70 126.49 2aby s SER 57 Ca -0.05 -0.94 0.11 0.00 1.31 0.00 0.00 55.95 56.38 2aby s SER 57 Cb -0.07 -0.53 -0.23 0.00 0.21 0.00 0.00 66.02 65.39 2aby s SER 57 CO 0.00 -0.56 0.24 1.17 0.41 0.00 0.00 173.24 174.50 2aby n LYS 58 N -1.33 0.67 0.00 12.44 3.00 -1.26 -4.09 118.16 127.60 2aby n LYS 58 Ca 0.00 0.14 0.13 0.00 -0.00 0.00 0.00 58.31 58.59 2aby n LYS 58 Cb 0.63 -1.63 0.70 0.00 0.00 0.00 0.00 35.03 34.73 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 -3.01 0.49 -1.63 1.64 5.02 -1.26 -4.87 118.16 114.54 2aby n LYS 59 Ca -0.30 0.03 -0.56 0.00 -2.02 0.00 0.00 58.31 55.46 2aby n LYS 59 Cb 1.09 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 34.53 2aby n LYS 59 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 2aby n LEU 60 N -1.22 1.66 -4.67 -0.35 -0.00 -1.17 -4.95 117.00 106.30 2aby n LEU 60 Ca 0.14 1.11 -0.30 0.00 -0.00 0.00 0.00 56.01 56.96 2aby n LEU 60 Cb 0.18 -1.12 -0.08 0.00 -0.00 0.00 0.00 43.42 42.40 2aby n LEU 60 CO 0.19 -0.94 -0.35 -0.94 -0.00 0.00 0.00 177.39 175.36 2aby s SER 61 N 1.58 4.93 0.12 1.45 1.04 -1.26 -5.03 113.70 116.54 2aby s SER 61 Ca 0.91 -0.19 -0.12 0.00 0.48 0.00 0.00 55.95 57.03 2aby s SER 61 Cb -1.07 -1.15 -0.09 0.00 0.10 0.00 0.00 66.02 63.81 2aby s SER 61 CO 0.56 0.19 1.40 -0.33 0.98 0.00 0.00 173.24 176.04 2aby h GLU 62 N 3.56 0.88 0.00 4.02 4.39 -2.00 -3.45 114.58 121.97 2aby h GLU 62 Ca -0.48 -0.56 0.00 0.00 0.34 0.00 0.00 59.36 58.66 2aby h GLU 62 Cb 1.17 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.88 2aby h GLU 62 CO 0.58 1.19 0.00 1.28 -1.16 0.00 0.00 179.01 180.91 2aby n LEU 63 N -4.02 0.00 -2.73 1.33 4.77 -1.26 -4.82 117.00 110.28 2aby n LEU 63 Ca -0.04 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.91 2aby n LEU 63 Cb 0.63 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.72 2aby n LEU 63 CO 0.50 -0.48 0.20 1.41 -1.33 0.00 0.00 177.39 177.70 2aby n HIS 64 N -1.61 -2.63 0.15 -1.77 8.25 -1.26 -4.93 115.22 111.42 2aby n HIS 64 Ca 0.00 1.02 0.00 0.00 -0.26 0.00 0.00 57.72 58.49 2aby n HIS 64 Cb 0.00 -3.66 0.26 0.00 1.12 0.00 0.00 29.99 27.70 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 0.84 0.04 -0.28 -0.41 0.13 -1.96 -2.95 132.00 127.42 2aby h PRO 65 Ca 0.00 -0.02 0.08 0.00 -0.87 0.00 0.00 66.00 65.19 2aby h PRO 65 Cb 0.94 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.06 2aby h PRO 65 CO 0.22 0.52 0.23 0.93 -0.23 0.00 0.00 178.00 179.67 2aby h GLU 66 N 0.03 0.00 -0.14 0.86 4.39 -2.01 -1.04 114.58 116.67 2aby h GLU 66 Ca -0.00 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.51 2aby h GLU 66 Cb 0.87 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.53 2aby h GLU 66 CO 0.06 0.00 -0.66 0.93 -1.16 0.00 0.00 179.01 178.19 2aby h GLU 67 N 0.00 0.70 0.05 2.33 4.39 -1.88 -2.21 114.58 117.95 2aby h GLU 67 Ca 0.13 -0.56 0.02 0.00 0.34 0.00 0.00 59.36 59.29 2aby h GLU 67 Cb 0.59 0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 29.32 2aby h GLU 67 CO -0.00 1.18 -0.20 0.00 -1.16 0.00 0.00 179.01 178.83 2aby h ARG 68 N 0.39 -0.34 -0.56 2.33 3.08 -1.30 -1.06 114.38 116.93 2aby h ARG 68 Ca -0.04 0.02 -0.06 0.00 0.07 0.00 0.00 59.98 59.97 2aby h ARG 68 Cb 1.29 0.08 -0.02 0.00 0.08 0.00 0.00 29.97 31.39 2aby h ARG 68 CO 0.14 -0.22 0.09 1.57 -1.07 0.00 0.00 179.97 180.47 2aby h LYS 69 N -0.35 0.89 0.09 0.04 2.10 -1.59 -0.89 116.57 116.86 2aby h LYS 69 Ca 0.04 -0.21 0.02 0.00 -2.00 0.00 0.00 60.65 58.50 2aby h LYS 69 Cb 0.40 -0.12 -0.03 0.00 -0.90 0.00 0.00 32.23 31.58 2aby h LYS 69 CO -0.15 0.83 -0.20 -0.22 -2.00 0.00 0.00 179.45 177.71 2aby h LYS 70 N 0.85 -0.35 -0.10 0.07 1.63 -0.86 -1.51 116.57 116.30 2aby h LYS 70 Ca 0.18 0.02 -0.10 0.00 -0.85 0.00 0.00 60.65 59.90 2aby h LYS 70 Cb 0.37 0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 32.07 2aby h LYS 70 CO 0.01 -0.23 -0.39 -0.39 -3.45 0.00 0.00 179.45 174.99 2aby h VAL 71 N -0.36 1.30 0.22 2.00 -1.51 -1.11 -1.63 116.25 115.16 2aby h VAL 71 Ca 0.03 -1.46 0.00 0.00 -1.23 0.00 0.00 66.70 64.04 2aby h VAL 71 Cb 0.39 1.66 -0.01 0.00 -2.13 0.00 0.00 31.29 31.20 2aby h VAL 71 CO -0.12 0.44 -0.19 0.03 -1.23 0.00 0.00 177.57 176.49 2aby h ARG 72 N 0.18 -0.42 -0.16 5.19 -0.00 -0.60 0.21 114.38 118.77 2aby h ARG 72 Ca 0.02 0.03 -0.15 0.00 -0.50 0.00 0.00 59.98 59.38 2aby h ARG 72 Cb 0.78 0.10 -0.01 0.00 0.00 0.00 0.00 29.97 30.83 2aby h ARG 72 CO 0.06 -0.28 -0.52 1.05 0.00 0.00 0.00 179.97 180.28 2aby h GLU 73 N -0.44 0.46 0.25 0.04 -0.00 -1.27 -0.89 114.58 112.74 2aby h GLU 73 Ca -0.01 -0.28 -0.01 0.00 -0.00 0.00 0.00 59.36 59.06 2aby h GLU 73 Cb 0.40 0.03 0.00 0.00 -0.00 0.00 0.00 28.75 29.18 2aby h GLU 73 CO -0.03 0.87 -0.12 -0.22 -0.00 0.00 0.00 179.01 179.51 2aby h LYS 74 N 0.36 -0.33 -0.27 1.06 3.11 -1.02 -1.16 116.57 118.33 2aby h LYS 74 Ca 0.01 0.02 -0.12 0.00 -2.81 0.00 0.00 60.65 57.75 2aby h LYS 74 Cb 1.03 0.07 -0.01 0.00 -1.00 0.00 0.00 32.23 32.33 2aby h LYS 74 CO 0.09 -0.14 -0.34 0.27 -2.81 0.00 0.00 179.45 176.53 2aby h PHE 75 N -0.45 0.68 -0.01 1.91 -5.15 -0.62 -1.30 116.94 112.00 2aby h PHE 75 Ca -0.03 -0.18 0.01 0.00 -0.20 0.00 0.00 57.97 57.56 2aby h PHE 75 Cb 0.34 -0.15 -0.01 0.00 0.22 0.00 0.00 35.95 36.35 2aby h PHE 75 CO -0.03 0.85 -0.02 0.22 -2.00 0.00 0.00 178.31 177.32 2aby h ASP 76 N 0.50 -0.07 -0.01 -0.68 3.58 -1.03 -0.77 116.42 117.94 2aby h ASP 76 Ca 0.06 0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.52 2aby h ASP 76 Cb 0.82 0.03 -0.00 0.00 1.72 0.00 0.00 39.33 41.90 2aby h ASP 76 CO 0.07 -0.03 -0.00 -0.33 -2.88 0.00 0.00 179.24 176.06 2aby h GLU 77 N -0.03 0.01 -0.98 0.28 5.08 -1.18 -1.47 114.58 116.29 2aby h GLU 77 Ca 0.01 -0.01 0.21 0.00 -1.00 0.00 0.00 59.36 58.58 2aby h GLU 77 Cb 0.05 -0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.21 2aby h GLU 77 CO -0.03 0.43 0.62 -0.97 -1.00 0.00 0.00 179.01 178.06 2aby h ASN 78 N -0.41 0.60 -0.01 1.42 -1.24 -1.18 0.21 115.58 114.97 2aby h ASN 78 Ca 0.00 0.08 -0.22 0.00 0.71 0.00 0.00 56.30 56.87 2aby h ASN 78 Cb 0.43 -0.03 0.02 0.00 0.73 0.00 0.00 38.32 39.47 2aby h ASN 78 CO 0.00 0.20 -0.85 0.77 -1.29 0.00 0.00 177.43 176.26 2aby h SER 79 N 0.58 0.77 0.56 1.15 4.64 -1.05 -3.09 113.55 117.10 2aby h SER 79 Ca 0.55 -0.73 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 2aby h SER 79 Cb 1.11 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 62.96 2aby h SER 79 CO -0.30 1.40 0.00 -2.11 -0.87 0.00 0.00 176.83 174.96 2aby n ARG 80 N -4.00 0.00 -1.16 4.77 -4.01 -0.21 -4.85 116.66 107.20 2aby n ARG 80 Ca -0.10 0.22 -0.37 0.00 -1.04 0.00 0.00 57.85 56.56 2aby n ARG 80 Cb 0.79 -1.50 0.04 0.00 -3.04 0.00 0.00 32.46 28.74 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 -1.51 0.06 -0.95 2.89 2.81 0.58 -4.88 117.12 116.13 2aby n MET 81 Ca 0.04 0.03 -0.32 0.00 -1.81 0.00 0.00 57.70 55.64 2aby n MET 81 Cb 0.19 -1.22 0.14 0.00 -0.71 0.00 0.00 33.22 31.62 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 -1.82 1.45 0.32 0.03 -0.21 -1.26 -4.79 119.66 113.39 2aby s GLN 82 Ca 0.54 1.55 0.03 0.00 0.02 0.00 0.00 55.36 57.50 2aby s GLN 82 Cb -0.35 -1.78 0.56 0.00 1.00 0.00 0.00 33.01 32.45 2aby s GLN 82 CO 0.70 -2.31 1.86 -0.92 -2.12 0.00 0.00 175.29 172.49 2aby h TYR 83 N -1.39 0.58 -0.11 0.91 5.03 -1.97 -1.16 116.97 118.86 2aby h TYR 83 Ca -0.44 -0.06 0.04 0.00 2.58 0.00 0.00 58.73 60.84 2aby h TYR 83 Cb 1.27 -0.17 -0.04 0.00 1.55 0.00 0.00 36.73 39.34 2aby h TYR 83 CO 0.50 0.57 -0.13 0.77 -1.32 0.00 0.00 178.16 178.56 2aby h SER 84 N 0.53 -0.39 0.16 -2.11 0.02 -1.99 0.33 113.55 110.11 2aby h SER 84 Ca 0.11 0.07 -0.17 0.00 -0.84 0.00 0.00 61.79 60.97 2aby h SER 84 Cb 0.35 0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.08 2aby h SER 84 CO 0.01 -0.17 -0.64 -0.08 -1.14 0.00 0.00 176.83 174.82 2aby h GLU 85 N -0.16 0.45 -0.77 3.45 4.81 -1.89 -0.17 114.58 120.29 2aby h GLU 85 Ca 0.08 -0.32 -0.06 0.00 -0.13 0.00 0.00 59.36 58.93 2aby h GLU 85 Cb 0.28 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.68 2aby h GLU 85 CO -0.20 0.94 0.26 1.25 -0.73 0.00 0.00 179.01 180.53 2aby h LEU 86 N 0.33 1.10 0.07 1.64 7.12 -0.72 0.58 115.31 125.43 2aby h LEU 86 Ca -0.01 -0.20 -0.25 0.00 0.13 0.00 0.00 57.88 57.55 2aby h LEU 86 Cb 1.19 -0.29 -0.01 0.00 -0.53 0.00 0.00 40.66 41.01 2aby h LEU 86 CO 0.11 1.00 -1.21 0.24 -0.13 0.00 0.00 178.44 178.46 2aby h MET 87 N 1.14 0.14 0.01 1.25 2.86 -0.32 -3.14 114.93 116.87 2aby h MET 87 Ca 0.25 -0.24 -0.00 0.00 -2.06 0.00 0.00 59.70 57.65 2aby h MET 87 Cb 0.28 0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.03 2aby h MET 87 CO -0.01 1.07 -0.01 1.15 1.06 0.00 0.00 176.91 180.18 2aby h THR 88 N 0.04 1.30 0.00 2.22 2.02 -0.82 0.27 112.91 117.93 2aby h THR 88 Ca -0.11 -0.94 0.00 0.00 0.77 0.00 0.00 66.41 66.14 2aby h THR 88 Cb 1.90 1.93 0.00 0.00 -1.74 0.00 0.00 68.15 70.24 2aby h THR 88 CO 0.16 0.24 0.00 1.17 0.37 0.00 0.00 175.52 177.46 2aby n LYS 89 N -4.90 0.04 -0.12 6.66 3.00 0.18 0.25 118.16 123.27 2aby n LYS 89 Ca -0.08 0.36 -0.24 0.00 -0.00 0.00 0.00 58.31 58.34 2aby n LYS 89 Cb 0.21 -1.60 -0.11 0.00 0.00 0.00 0.00 35.03 33.53 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 -1.68 0.29 -0.07 5.64 9.36 -1.06 -4.17 117.16 125.47 2aby n TYR 90 Ca 0.02 0.09 -0.05 0.00 3.32 0.00 0.00 57.90 61.29 2aby n TYR 90 Cb 0.14 -1.03 -0.02 0.00 -0.63 0.00 0.00 39.34 37.80 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 -3.89 0.68 0.10 2.98 8.25 0.91 -2.20 115.22 122.06 2aby n HIS 91 Ca -0.46 0.29 0.20 0.00 -0.26 0.00 0.00 57.72 57.49 2aby n HIS 91 Cb 0.91 -0.67 0.72 0.00 1.12 0.00 0.00 29.99 32.06 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 -0.92 0.00 0.07 0.41 3.58 -0.33 0.43 116.42 119.65 2aby h ASP 92 Ca 0.00 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.42 2aby h ASP 92 Cb 0.57 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.61 2aby h ASP 92 CO 0.00 0.00 -1.96 0.18 -2.88 0.00 0.00 179.24 174.58 2aby n LEU 93 N -3.54 0.06 0.05 2.28 7.99 -0.87 -4.27 117.00 118.70 2aby n LEU 93 Ca 0.07 0.02 0.22 0.00 -0.01 0.00 0.00 56.01 56.31 2aby n LEU 93 Cb 0.67 0.03 0.72 0.00 -0.11 0.00 0.00 43.42 44.73 2aby n LEU 93 CO 0.25 0.02 1.19 0.50 -1.51 0.00 0.00 177.39 177.84 2aby h LYS 94 N 0.00 0.00 -0.69 3.23 3.11 0.35 0.25 116.57 122.83 2aby h LYS 94 Ca -0.04 0.00 -0.06 0.00 -2.81 0.00 0.00 60.65 57.75 2aby h LYS 94 Cb 1.09 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 32.29 2aby h LYS 94 CO 0.00 0.00 0.21 0.87 -2.81 0.00 0.00 179.45 177.72 2aby h LYS 95 N 0.00 1.06 -0.37 1.90 1.79 -1.74 -2.87 116.57 116.34 2aby h LYS 95 Ca 0.24 -0.22 -0.16 0.00 -2.18 0.00 0.00 60.65 58.33 2aby h LYS 95 Cb 1.30 -0.16 -0.10 0.00 -1.58 0.00 0.00 32.23 31.70 2aby h LYS 95 CO -0.00 0.91 -0.01 1.04 -1.08 0.00 0.00 179.45 180.30 2aby n GLN 96 N -4.26 2.11 -1.84 3.15 1.13 0.77 -5.01 117.38 113.43 2aby n GLN 96 Ca 0.05 -3.09 0.00 0.00 -1.94 0.00 0.00 57.00 52.02 2aby n GLN 96 Cb 0.23 -1.85 0.00 0.00 0.11 0.00 0.00 30.24 28.73 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 -0.99 3.89 3.22 1.08 0.00 -0.55 -5.09 105.19 106.75 2aby n GLY 97 Ca 0.32 -1.59 -0.08 0.00 0.00 0.00 0.00 46.02 44.67 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 -1.89 0.33 0.02 1.61 0.00 -1.26 -4.87 119.74 113.69 2aby s LYS 98 Ca 0.00 0.98 0.07 0.00 0.00 0.00 0.00 55.97 57.02 2aby s LYS 98 Cb 0.00 0.24 -0.02 0.00 0.00 0.00 0.00 37.83 38.05 2aby s LYS 98 CO 0.00 -0.31 -0.22 -1.50 0.00 0.00 0.00 175.35 173.33 2aby s ILE 99 N 2.61 1.73 0.28 3.79 -1.16 -1.26 -4.23 121.20 122.96 2aby s ILE 99 Ca 0.01 -1.10 0.07 0.00 -0.51 0.00 0.00 60.65 59.11 2aby s ILE 99 Cb -0.13 -1.47 -0.06 0.00 0.61 0.00 0.00 42.46 41.41 2aby s ILE 99 CO -0.13 0.34 -0.06 -0.54 -2.81 0.00 0.00 174.94 171.73 2aby s LYS 100 N -0.90 1.54 -0.56 3.50 1.02 -1.26 -5.02 119.74 118.05 2aby s LYS 100 Ca 0.08 -1.78 0.04 0.00 0.02 0.00 0.00 55.97 54.34 2aby s LYS 100 Cb -0.09 -1.14 0.16 0.00 -0.52 0.00 0.00 37.83 36.24 2aby s LYS 100 CO 0.01 0.04 0.40 0.16 -0.92 0.00 0.00 175.35 175.03 2aby s ASP 101 N -3.44 3.50 0.71 2.83 -4.77 -1.26 -4.73 116.67 109.51 2aby s ASP 101 Ca 0.29 -3.38 -0.12 0.00 -3.30 0.00 0.00 52.55 46.05 2aby s ASP 101 Cb 0.04 -1.14 0.02 0.00 -1.09 0.00 0.00 42.92 40.74 2aby s ASP 101 CO 0.12 -0.15 1.08 -0.13 0.70 0.00 0.00 175.17 176.79 2aby s ARG 102 N -0.64 2.71 0.40 2.11 1.81 -1.26 -5.00 118.95 119.07 2aby s ARG 102 Ca 0.26 1.10 -0.25 0.00 -1.72 0.00 0.00 55.73 55.12 2aby s ARG 102 Cb -0.05 -1.96 -0.08 0.00 -0.45 0.00 0.00 34.95 32.40 2aby s ARG 102 CO -0.15 -1.29 1.19 -1.25 -0.68 0.00 0.00 175.30 173.13 2aby s PRO 103 N -4.81 4.06 0.13 3.54 0.04 -1.26 -5.00 135.00 131.69 2aby s PRO 103 Ca 0.61 1.89 -0.30 0.00 0.04 0.00 0.00 61.00 63.24 2aby s PRO 103 Cb -0.16 -2.70 -0.06 0.00 0.04 0.00 0.00 34.50 31.61 2aby s PRO 103 CO 0.52 -0.33 0.95 0.54 0.04 0.00 0.00 177.00 178.72 2aby s VAL 104 N -1.38 4.44 0.07 -0.36 0.11 -1.26 -4.84 120.40 117.18 2aby s VAL 104 Ca 0.57 2.06 -0.20 0.00 -2.93 0.00 0.00 61.98 61.47 2aby s VAL 104 Cb -0.32 -4.32 -0.07 0.00 -1.53 0.00 0.00 36.38 30.15 2aby s VAL 104 CO 0.40 0.35 0.60 -0.54 -3.33 0.00 0.00 175.10 172.58 2aby s LYS 105 N -0.20 4.26 0.23 1.54 -0.14 -0.68 -4.79 119.74 119.96 2aby s LYS 105 Ca 0.46 0.79 -0.30 0.00 -1.36 0.00 0.00 55.97 55.56 2aby s LYS 105 Cb -0.24 -3.26 -0.09 0.00 -1.68 0.00 0.00 37.83 32.57 2aby s LYS 105 CO 0.30 0.59 1.07 -1.83 -0.76 0.00 0.00 175.35 174.72 2aby s GLU 106 N -0.99 4.66 -0.08 1.68 -1.05 -1.26 0.41 118.70 122.08 2aby s GLU 106 Ca 0.30 1.71 -0.01 0.00 -0.15 0.00 0.00 54.97 56.82 2aby s GLU 106 Cb -0.20 -3.24 -0.03 0.00 -0.44 0.00 0.00 34.13 30.22 2aby s GLU 106 CO 0.20 0.21 -0.03 0.08 0.95 0.00 0.00 175.26 176.67 2aby s VAL 107 N -0.78 4.07 0.49 1.83 1.01 -0.12 -4.85 120.40 122.04 2aby s VAL 107 Ca 0.46 -0.35 0.03 0.00 0.00 0.00 0.00 61.98 62.12 2aby s VAL 107 Cb -0.30 -2.70 -0.03 0.00 0.00 0.00 0.00 36.38 33.36 2aby s VAL 107 CO 0.37 0.60 0.01 -2.28 0.00 0.00 0.00 175.10 173.80 2aby s HIS 108 N -0.86 2.03 0.61 5.22 2.46 -1.26 -4.09 115.29 119.39 2aby s HIS 108 Ca 0.13 -0.88 -0.11 0.00 0.47 0.00 0.00 55.06 54.67 2aby s HIS 108 Cb -0.11 -1.66 -0.04 0.00 -0.13 0.00 0.00 32.58 30.63 2aby s HIS 108 CO 0.02 0.27 1.02 -1.21 -2.47 0.00 0.00 174.74 172.37 2aby s GLU 109 N -3.85 3.60 -1.18 2.88 2.02 -1.26 -4.04 118.70 116.87 2aby s GLU 109 Ca 0.14 0.73 -0.05 0.00 0.02 0.00 0.00 54.97 55.80 2aby s GLU 109 Cb 0.04 -2.09 0.01 0.00 0.10 0.00 0.00 34.13 32.18 2aby s GLU 109 CO 0.07 -0.55 0.70 -1.91 0.02 0.00 0.00 175.26 173.59 2aby n GLU 110 N -2.72 -5.09 -1.04 1.61 2.13 -1.26 -4.87 120.64 109.41 2aby n GLU 110 Ca 0.06 0.71 -0.05 0.00 0.66 0.00 0.00 57.16 58.53 2aby n GLU 110 Cb 0.54 -5.23 -0.05 0.00 0.27 0.00 0.00 31.44 26.97 2aby n GLU 110 CO 0.00 0.00 0.00 0.98 -0.41 0.00 0.00 177.13 177.70 2aby n TYR 111 N -4.39 0.00 -1.61 4.31 9.36 -1.26 -5.13 117.16 118.45 2aby n TYR 111 Ca -0.05 -0.47 -0.45 0.00 3.32 0.00 0.00 57.90 60.25 2aby n TYR 111 Cb 0.58 0.40 -0.02 0.00 -0.63 0.00 0.00 39.34 39.66 2aby n TYR 111 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 2aby n ASP 112 N 0.07 1.71 0.00 2.98 8.00 -1.26 -4.94 116.55 123.10 2aby n ASP 112 Ca -0.22 1.17 0.00 0.00 0.71 0.00 0.00 54.79 56.45 2aby n ASP 112 Cb 0.75 -1.31 0.00 0.00 -0.02 0.00 0.00 41.12 40.54 2aby n ASP 112 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2aby n LEU 113 N 1.55 0.80 0.07 0.64 7.99 -1.26 -4.66 117.00 122.13 2aby n LEU 113 Ca 0.11 0.05 0.08 0.00 -0.01 0.00 0.00 56.01 56.24 2aby n LEU 113 Cb 0.30 0.00 -0.05 0.00 -0.11 0.00 0.00 43.42 43.57 2aby n LEU 113 CO 0.61 0.00 -0.18 0.79 -1.51 0.00 0.00 177.39 177.10 2aby n TRP 114 N -0.18 0.83 -3.85 -1.77 5.03 -1.26 -5.00 117.44 111.24 2aby n TRP 114 Ca 0.00 0.25 -0.31 0.00 3.03 0.00 0.00 57.50 60.47 2aby n TRP 114 Cb 0.00 -0.93 0.01 0.00 -1.03 0.00 0.00 31.31 29.35 2aby n TRP 114 CO 0.00 0.00 0.00 -0.85 -0.03 0.00 0.00 177.69 176.81 2aby n GLU 115 N -2.67 -1.06 0.00 -0.99 0.28 -1.26 -4.58 120.64 110.35 2aby n GLU 115 Ca -0.03 0.48 0.00 0.00 -0.16 0.00 0.00 57.16 57.44 2aby n GLU 115 Cb 0.63 -2.14 0.00 0.00 1.43 0.00 0.00 31.44 31.36 2aby n GLU 115 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 2aby n ASP 116 N -2.31 0.00 0.18 -1.84 2.03 -1.26 -4.91 116.55 108.44 2aby n ASP 116 Ca -0.24 0.00 -0.08 0.00 0.52 0.00 0.00 54.79 54.99 2aby n ASP 116 Cb 0.62 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.98 2aby n ASP 116 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2aby h PRO 117 N 0.00 -0.47 0.00 -0.67 0.13 -1.89 -2.88 132.00 126.22 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 -0.32 -0.19 0.44 -0.23 0.00 0.00 178.00 177.71 2aby n ILE 118 N -4.28 0.05 0.08 -3.56 -6.64 -1.23 -2.45 119.36 101.33 2aby n ILE 118 Ca -0.06 -0.03 -0.08 0.00 -1.77 0.00 0.00 62.75 60.81 2aby n ILE 118 Cb 0.19 -0.24 -0.07 0.00 -1.44 0.00 0.00 39.64 38.08 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 0.14 0.00 4.28 7.01 -1.90 -3.40 115.95 122.08 2aby h TRP 119 Ca 0.00 -0.09 0.00 0.00 2.11 0.00 0.00 58.89 60.91 2aby h TRP 119 Cb 0.52 -0.01 0.00 0.00 -2.10 0.00 0.00 29.16 27.57 2aby h TRP 119 CO 0.00 1.00 0.00 1.04 -2.79 0.00 0.00 178.44 177.69 2aby n GLN 120 N -3.49 0.00 0.00 2.65 6.02 -1.09 -4.90 117.38 116.57 2aby n GLN 120 Ca -0.02 0.19 0.00 0.00 -0.01 0.00 0.00 57.00 57.15 2aby n GLN 120 Cb 0.89 -0.62 0.00 0.00 1.02 0.00 0.00 30.24 31.53 2aby n GLN 120 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 2aby n TYR 121 N -1.95 0.00 0.08 1.08 9.36 -1.18 -5.12 117.16 119.43 2aby n TYR 121 Ca 0.00 0.00 0.01 0.00 3.32 0.00 0.00 57.90 61.23 2aby n TYR 121 Cb 0.00 0.07 0.01 0.00 -0.63 0.00 0.00 39.34 38.79 2aby n TYR 121 CO 0.00 0.00 0.00 -0.89 0.22 0.00 0.00 176.86 176.19