#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aal s LEU 2 N 0.00 2.91 -0.30 1.53 2.96 -0.04 -4.36 118.68 121.38 2aal s LEU 2 Ca 0.00 -0.29 -0.07 0.00 -0.22 0.00 0.00 54.13 53.55 2aal s LEU 2 Cb 0.00 -1.69 0.01 0.00 0.50 0.00 0.00 46.19 45.01 2aal s LEU 2 CO 0.00 0.11 0.08 -0.76 -1.32 0.00 0.00 176.35 174.47 2aal s LEU 3 N 0.67 3.93 -0.21 -0.68 1.02 -0.44 -0.99 118.68 121.97 2aal s LEU 3 Ca -0.04 -0.79 -0.04 0.00 0.02 0.00 0.00 54.13 53.27 2aal s LEU 3 Cb -0.15 -1.88 -0.01 0.00 0.02 0.00 0.00 46.19 44.17 2aal s LEU 3 CO 0.02 -0.22 -0.03 -0.54 0.02 0.00 0.00 176.35 175.61 2aal s LYS 4 N 1.48 3.47 -0.09 1.70 1.02 0.83 -1.19 119.74 126.95 2aal s LYS 4 Ca 0.02 -0.59 -0.02 0.00 0.02 0.00 0.00 55.97 55.41 2aal s LYS 4 Cb -0.18 -3.04 -0.03 0.00 -0.52 0.00 0.00 37.83 34.07 2aal s LYS 4 CO 0.02 -0.11 -0.02 -0.06 -0.92 0.00 0.00 175.35 174.26 2aal s PHE 5 N 1.29 3.08 -0.15 3.18 0.40 0.49 -0.85 117.98 125.42 2aal s PHE 5 Ca 0.04 0.07 0.01 0.00 -0.60 0.00 0.00 56.93 56.45 2aal s PHE 5 Cb -0.14 -1.80 0.00 0.00 0.51 0.00 0.00 43.02 41.59 2aal s PHE 5 CO -0.01 0.35 -0.18 -0.51 0.70 0.00 0.00 175.22 175.57 2aal s ASP 6 N -0.64 3.43 0.17 1.36 1.01 0.51 -0.14 116.67 122.36 2aal s ASP 6 Ca 0.10 -0.53 -0.01 0.00 0.71 0.00 0.00 52.55 52.82 2aal s ASP 6 Cb -0.12 -1.51 -0.04 0.00 1.01 0.00 0.00 42.92 42.26 2aal s ASP 6 CO 0.02 0.08 0.10 -1.48 0.21 0.00 0.00 175.17 174.10 2aal s LEU 7 N 0.81 1.41 0.21 1.23 2.34 -0.85 -0.83 118.68 123.00 2aal s LEU 7 Ca -0.06 -1.31 -0.13 0.00 0.06 0.00 0.00 54.13 52.69 2aal s LEU 7 Cb -0.15 0.35 -0.07 0.00 -0.56 0.00 0.00 46.19 45.75 2aal s LEU 7 CO -0.01 -0.79 0.59 -0.36 -1.06 0.00 0.00 176.35 174.72 2aal s PHE 8 N -4.11 3.50 0.61 3.48 0.08 -1.26 -0.46 117.98 119.81 2aal s PHE 8 Ca 0.33 1.03 -0.18 0.00 0.12 0.00 0.00 56.93 58.23 2aal s PHE 8 Cb 0.07 -2.37 -0.06 0.00 -0.57 0.00 0.00 43.02 40.09 2aal s PHE 8 CO 0.08 0.31 0.77 0.66 -0.10 0.00 0.00 175.22 176.94 2aal n TYR 9 N 0.24 0.14 0.00 0.36 4.01 -0.36 -4.48 117.16 117.08 2aal n TYR 9 Ca -0.01 0.43 0.00 0.00 -0.16 0.00 0.00 57.90 58.15 2aal n TYR 9 Cb 0.52 -2.05 0.00 0.00 -0.31 0.00 0.00 39.34 37.50 2aal n TYR 9 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2aal n GLY 10 N 1.49 0.99 3.80 2.72 0.00 -1.26 -4.98 105.19 107.95 2aal n GLY 10 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 2aal n GLY 10 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2aal s ARG 11 N 0.00 4.23 0.83 1.61 0.52 -1.26 -5.08 118.95 119.79 2aal s ARG 11 Ca 0.00 1.27 -0.12 0.00 -0.52 0.00 0.00 55.73 56.36 2aal s ARG 11 Cb 0.00 -2.36 0.09 0.00 0.52 0.00 0.00 34.95 33.20 2aal s ARG 11 CO 0.00 -0.05 1.10 0.95 0.02 0.00 0.00 175.30 177.33 2aal s THR 12 N -1.94 2.87 0.29 0.02 -4.23 -1.26 -4.85 115.64 106.55 2aal s THR 12 Ca 0.60 0.28 0.01 0.00 -1.18 0.00 0.00 61.69 61.40 2aal s THR 12 Cb -0.14 -3.00 0.29 0.00 1.34 0.00 0.00 72.50 70.98 2aal s THR 12 CO 0.19 -0.37 1.87 0.44 -0.54 0.00 0.00 174.62 176.21 2aal h ASP 13 N -1.20 0.91 -0.54 3.99 3.32 -1.99 -0.47 116.42 120.44 2aal h ASP 13 Ca -0.48 0.03 -0.10 0.00 0.02 0.00 0.00 57.03 56.50 2aal h ASP 13 Cb 1.28 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.65 2aal h ASP 13 CO 0.59 0.54 -0.06 0.00 -1.72 0.00 0.00 179.24 178.59 2aal h ALA 14 N 1.52 0.84 -0.54 3.45 0.00 -1.99 0.22 119.26 122.76 2aal h ALA 14 Ca 0.45 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 2aal h ALA 14 Cb 0.36 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2aal h ALA 14 CO -0.20 0.66 0.06 1.96 0.00 0.00 0.00 179.25 181.74 2aal h GLN 15 N 0.92 0.87 -0.30 0.00 4.20 -1.70 0.78 115.11 119.88 2aal h GLN 15 Ca 0.15 -0.22 -0.09 0.00 0.06 0.00 0.00 58.65 58.56 2aal h GLN 15 Cb 0.61 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.27 2aal h GLN 15 CO 0.04 0.83 -0.14 0.82 -0.67 0.00 0.00 178.83 179.70 2aal h ILE 16 N 0.82 1.29 -0.35 2.54 2.04 -0.71 -1.23 117.51 121.92 2aal h ILE 16 Ca 0.17 -1.24 0.03 0.00 1.00 0.00 0.00 64.86 64.82 2aal h ILE 16 Cb 0.40 1.46 -0.03 0.00 -0.74 0.00 0.00 36.82 37.91 2aal h ILE 16 CO 0.01 0.40 0.14 0.50 0.00 0.00 0.00 178.15 179.20 2aal h LYS 17 N 0.38 0.30 -0.31 2.37 3.64 -0.65 -1.68 116.57 120.61 2aal h LYS 17 Ca 0.07 -0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.50 2aal h LYS 17 Cb 0.67 -0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 32.36 2aal h LYS 17 CO 0.04 0.20 -0.12 1.03 -2.27 0.00 0.00 179.45 178.33 2aal h SER 18 N 0.30 -0.40 -0.57 4.20 0.87 -0.63 0.45 113.55 117.77 2aal h SER 18 Ca 0.15 0.11 0.09 0.00 -1.23 0.00 0.00 61.79 60.91 2aal h SER 18 Cb 0.10 0.24 -0.07 0.00 -0.44 0.00 0.00 62.40 62.23 2aal h SER 18 CO -0.13 -0.15 0.19 0.25 -0.53 0.00 0.00 176.83 176.46 2aal h LEU 19 N -0.06 0.17 -0.38 2.23 5.85 -0.91 -0.64 115.31 121.57 2aal h LEU 19 Ca 0.16 0.08 -0.09 0.00 0.84 0.00 0.00 57.88 58.87 2aal h LEU 19 Cb 0.29 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 2aal h LEU 19 CO -0.35 0.11 -0.10 -0.07 -0.34 0.00 0.00 178.44 177.68 2aal h LEU 20 N 0.36 0.75 -0.48 2.25 3.38 -0.35 -0.73 115.31 120.48 2aal h LEU 20 Ca 0.29 -0.37 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 2aal h LEU 20 Cb 0.36 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 2aal h LEU 20 CO -0.31 0.95 0.25 0.44 0.09 0.00 0.00 178.44 179.86 2aal h ASP 21 N 0.54 0.61 -0.46 -0.43 3.32 0.01 -0.74 116.42 119.28 2aal h ASP 21 Ca 0.09 -0.10 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 2aal h ASP 21 Cb 0.62 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.00 2aal h ASP 21 CO 0.04 0.54 0.27 0.00 -1.72 0.00 0.00 179.24 178.37 2aal h ALA 22 N 1.10 0.59 -0.19 3.45 0.00 -0.98 -1.67 119.26 121.56 2aal h ALA 22 Ca 0.17 -0.07 -0.17 0.00 0.00 0.00 0.00 54.91 54.84 2aal h ALA 22 Cb 0.07 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 2aal h ALA 22 CO -0.03 0.09 -0.57 0.00 0.00 0.00 0.00 179.25 178.74 2aal h ALA 23 N 1.12 0.64 -0.58 0.00 0.00 -1.03 -2.56 119.26 116.85 2aal h ALA 23 Ca 0.16 -0.52 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 2aal h ALA 23 Cb 0.02 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 2aal h ALA 23 CO -0.03 0.69 0.29 1.25 0.00 0.00 0.00 179.25 181.45 2aal h HIS 24 N 0.46 0.82 -0.72 0.00 6.17 -0.90 -1.43 115.15 119.54 2aal h HIS 24 Ca 0.00 -0.03 0.04 0.00 0.71 0.00 0.00 60.37 61.08 2aal h HIS 24 Cb 1.13 -0.26 -0.05 0.00 2.52 0.00 0.00 27.41 30.76 2aal h HIS 24 CO 0.05 0.62 0.45 0.78 0.71 0.00 0.00 177.93 180.54 2aal h GLY 25 N 0.78 1.05 1.22 5.26 0.00 -1.20 -0.97 103.07 109.21 2aal h GLY 25 Ca 0.20 -0.34 -0.08 0.00 0.00 0.00 0.00 47.33 47.12 2aal h GLY 25 CO -0.03 0.28 0.06 0.00 0.00 0.00 0.00 176.54 176.85 2aal h ALA 26 N 1.32 1.02 0.14 3.60 0.00 -1.15 -1.48 119.26 122.70 2aal h ALA 26 Ca 0.30 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2aal h ALA 26 Cb 0.04 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.61 2aal h ALA 26 CO -0.12 0.62 -0.07 1.98 0.00 0.00 0.00 179.25 181.66 2aal h MET 27 N 0.89 -0.18 -0.58 0.00 -1.53 -0.68 -1.09 114.93 111.77 2aal h MET 27 Ca 0.18 0.01 0.12 0.00 -3.44 0.00 0.00 59.70 56.56 2aal h MET 27 Cb 0.44 0.04 -0.09 0.00 -0.55 0.00 0.00 31.60 31.44 2aal h MET 27 CO 0.02 0.13 0.03 0.28 0.14 0.00 0.00 176.91 177.50 2aal h VAL 28 N -0.49 0.56 -0.36 -5.77 2.07 -1.07 0.11 116.25 111.30 2aal h VAL 28 Ca -0.02 -0.05 -0.16 0.00 0.82 0.00 0.00 66.70 67.29 2aal h VAL 28 Cb 0.39 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 2aal h VAL 28 CO 0.03 0.03 -0.42 0.44 0.02 0.00 0.00 177.57 177.67 2aal h ASP 29 N 0.15 0.98 -0.18 0.57 3.32 -1.25 0.26 116.42 120.28 2aal h ASP 29 Ca 0.30 -0.46 -0.16 0.00 0.02 0.00 0.00 57.03 56.73 2aal h ASP 29 Cb 0.47 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 2aal h ASP 29 CO -0.46 1.26 -0.45 0.00 -1.72 0.00 0.00 179.24 177.87 2aal h ALA 30 N 0.78 0.67 0.00 3.45 0.00 -0.76 -3.28 119.26 120.12 2aal h ALA 30 Ca 0.05 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2aal h ALA 30 Cb 1.01 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2aal h ALA 30 CO 0.10 0.67 -1.15 1.19 0.00 0.00 0.00 179.25 180.06 2aal n PHE 31 N -4.02 0.43 -2.75 0.00 3.72 0.33 -4.76 117.46 110.41 2aal n PHE 31 Ca -0.03 0.13 -0.19 0.00 -0.05 0.00 0.00 57.45 57.31 2aal n PHE 31 Cb 0.56 -0.60 0.02 0.00 -0.94 0.00 0.00 39.48 38.52 2aal n PHE 31 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2aal n GLY 32 N 1.30 -0.37 3.99 1.37 0.00 0.08 -5.03 105.19 106.52 2aal n GLY 32 Ca 0.01 -0.03 -0.20 0.00 0.00 0.00 0.00 46.02 45.80 2aal n GLY 32 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2aal s VAL 33 N -3.04 2.70 0.61 1.61 -7.23 -1.21 -5.06 120.40 108.78 2aal s VAL 33 Ca 0.19 -0.79 -0.19 0.00 -1.81 0.00 0.00 61.98 59.37 2aal s VAL 33 Cb -0.08 -2.90 -0.03 0.00 0.56 0.00 0.00 36.38 33.93 2aal s VAL 33 CO 0.23 0.00 1.30 -2.65 -0.31 0.00 0.00 175.10 173.67 2aal n PRO 34 N -2.21 1.31 0.30 4.82 -0.02 -1.26 -4.89 135.00 133.05 2aal n PRO 34 Ca 0.09 0.50 0.16 0.00 -2.02 0.00 0.00 63.50 62.23 2aal n PRO 34 Cb 0.60 -2.52 0.94 0.00 -0.02 0.00 0.00 33.50 32.49 2aal n PRO 34 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2aal h ALA 35 N 0.85 1.39 -0.64 3.55 0.00 -1.97 -1.30 119.26 121.15 2aal h ALA 35 Ca -0.51 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2aal h ALA 35 Cb 1.33 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.12 2aal h ALA 35 CO 0.54 0.02 0.00 0.27 0.00 0.00 0.00 179.25 180.09 2aal n ASN 36 N -3.68 4.71 -3.61 0.00 0.23 -1.26 -4.65 115.26 107.01 2aal n ASN 36 Ca -0.03 -2.43 -0.41 0.00 -0.53 0.00 0.00 54.58 51.18 2aal n ASN 36 Cb 0.11 -0.57 -0.01 0.00 -2.08 0.00 0.00 39.78 37.23 2aal n ASN 36 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 2aal n ASP 37 N 1.12 5.26 -4.00 0.53 2.03 -0.49 -4.92 116.55 116.08 2aal n ASP 37 Ca 0.26 -2.76 -0.31 0.00 0.52 0.00 0.00 54.79 52.50 2aal n ASP 37 Cb 0.88 -1.62 -0.16 0.00 -0.72 0.00 0.00 41.12 39.50 2aal n ASP 37 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 2aal s ARG 38 N 2.93 2.07 -0.21 -0.67 3.52 -1.26 -4.73 118.95 120.60 2aal s ARG 38 Ca 0.54 -0.85 -0.04 0.00 -0.13 0.00 0.00 55.73 55.25 2aal s ARG 38 Cb 0.15 -2.43 0.10 0.00 -1.56 0.00 0.00 34.95 31.21 2aal s ARG 38 CO -0.08 -0.42 0.26 0.71 -0.81 0.00 0.00 175.30 174.96 2aal s TYR 39 N 1.38 -0.41 -0.15 5.12 2.02 -1.26 -5.13 117.35 118.93 2aal s TYR 39 Ca -0.01 0.36 -0.11 0.00 -0.37 0.00 0.00 57.07 56.94 2aal s TYR 39 Cb -0.16 -0.27 0.05 0.00 -0.40 0.00 0.00 41.96 41.17 2aal s TYR 39 CO -0.08 -0.63 0.38 -0.65 -1.57 0.00 0.00 175.55 172.99 2aal s GLN 40 N 2.38 0.40 0.17 -0.62 -0.21 -1.26 -1.33 119.66 119.19 2aal s GLN 40 Ca 0.08 0.64 0.08 0.00 0.02 0.00 0.00 55.36 56.18 2aal s GLN 40 Cb -0.16 0.08 -0.04 0.00 1.00 0.00 0.00 33.01 33.89 2aal s GLN 40 CO -0.13 -0.11 -0.17 0.95 -2.12 0.00 0.00 175.29 173.71 2aal s THR 41 N 0.80 1.79 -0.06 -0.19 -4.23 -0.34 -4.98 115.64 108.44 2aal s THR 41 Ca -0.05 -1.98 0.01 0.00 -1.18 0.00 0.00 61.69 58.49 2aal s THR 41 Cb -0.06 -1.88 0.02 0.00 1.34 0.00 0.00 72.50 71.92 2aal s THR 41 CO -0.06 -0.39 -0.05 -0.69 -0.54 0.00 0.00 174.62 172.89 2aal s VAL 42 N -2.27 0.65 -0.13 2.29 1.01 -1.26 -0.38 120.40 120.31 2aal s VAL 42 Ca 0.17 -0.17 0.02 0.00 0.00 0.00 0.00 61.98 62.01 2aal s VAL 42 Cb -0.05 -0.67 0.00 0.00 0.00 0.00 0.00 36.38 35.67 2aal s VAL 42 CO 0.07 0.26 -0.21 -0.44 0.00 0.00 0.00 175.10 174.78 2aal s SER 43 N 1.04 3.23 -0.10 3.32 0.01 0.80 -4.96 113.70 117.04 2aal s SER 43 Ca -0.09 -0.56 -0.05 0.00 1.31 0.00 0.00 55.95 56.55 2aal s SER 43 Cb -0.14 -1.46 -0.04 0.00 0.21 0.00 0.00 66.02 64.59 2aal s SER 43 CO -0.00 0.10 0.12 -1.10 0.41 0.00 0.00 173.24 172.77 2aal s GLN 44 N 0.68 3.35 0.12 12.44 -0.21 -1.26 -2.01 119.66 132.77 2aal s GLN 44 Ca -0.10 -0.21 0.11 0.00 0.02 0.00 0.00 55.36 55.18 2aal s GLN 44 Cb -0.16 -3.10 -0.04 0.00 1.00 0.00 0.00 33.01 30.71 2aal s GLN 44 CO 0.01 0.75 -0.26 -1.01 -2.12 0.00 0.00 175.29 172.67 2aal s HIS 45 N -1.04 2.23 0.68 0.91 3.76 0.39 -4.79 115.29 117.42 2aal s HIS 45 Ca 0.16 -0.39 -0.11 0.00 -0.15 0.00 0.00 55.06 54.57 2aal s HIS 45 Cb -0.12 -1.21 0.00 0.00 1.11 0.00 0.00 32.58 32.36 2aal s HIS 45 CO 0.05 0.31 1.08 1.03 -0.85 0.00 0.00 174.74 176.37 2aal s ARG 46 N -2.02 3.04 0.57 1.40 0.52 -1.26 -1.22 118.95 119.98 2aal s ARG 46 Ca 0.13 0.52 -0.20 0.00 -0.52 0.00 0.00 55.73 55.66 2aal s ARG 46 Cb -0.10 -2.04 -0.05 0.00 0.52 0.00 0.00 34.95 33.28 2aal s ARG 46 CO 0.06 -0.92 1.21 -2.30 0.02 0.00 0.00 175.30 173.36 2aal n PRO 47 N -2.94 1.33 0.00 3.54 -0.02 -1.26 -1.18 135.00 134.47 2aal n PRO 47 Ca 0.07 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 2aal n PRO 47 Cb 0.56 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 2aal n PRO 47 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2aal n GLY 48 N 0.98 2.91 0.43 -1.23 0.00 -1.26 -4.85 105.19 102.16 2aal n GLY 48 Ca 0.12 -0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.28 2aal n GLY 48 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2aal n GLU 49 N 0.00 1.47 -4.25 1.61 1.02 -0.33 -4.71 120.64 115.46 2aal n GLU 49 Ca 0.00 -0.87 -0.17 0.00 -0.02 0.00 0.00 57.16 56.10 2aal n GLU 49 Cb 0.00 -1.48 -0.15 0.00 -0.02 0.00 0.00 31.44 29.79 2aal n GLU 49 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 2aal s MET 50 N -2.12 0.60 -0.18 3.49 -1.94 -1.26 -4.98 119.30 112.90 2aal s MET 50 Ca 0.34 -0.23 0.01 0.00 -1.71 0.00 0.00 55.69 54.10 2aal s MET 50 Cb 0.21 -0.58 0.03 0.00 2.01 0.00 0.00 34.83 36.49 2aal s MET 50 CO 0.38 0.12 -0.15 0.08 -0.01 0.00 0.00 175.02 175.45 2aal s VAL 51 N -0.04 1.75 -0.32 -6.03 1.01 -1.26 -5.06 120.40 110.45 2aal s VAL 51 Ca 0.01 -0.87 -0.02 0.00 0.00 0.00 0.00 61.98 61.11 2aal s VAL 51 Cb -0.04 -1.69 0.11 0.00 0.00 0.00 0.00 36.38 34.76 2aal s VAL 51 CO -0.00 0.38 0.15 -0.76 0.00 0.00 0.00 175.10 174.86 2aal s LEU 52 N 1.39 1.39 0.00 3.92 1.43 -1.26 -5.12 118.68 120.43 2aal s LEU 52 Ca 0.03 -1.71 0.00 0.00 -1.03 0.00 0.00 54.13 51.42 2aal s LEU 52 Cb -0.14 -0.59 0.00 0.00 0.03 0.00 0.00 46.19 45.49 2aal s LEU 52 CO -0.10 -0.39 0.00 -0.62 0.23 0.00 0.00 176.35 175.47 2aal n GLU 53 N 4.72 3.69 -0.03 1.70 1.02 -1.26 -4.95 120.64 125.53 2aal n GLU 53 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2aal n GLU 53 Cb 0.40 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.82 2aal n GLU 53 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2aal n ASP 54 N 0.00 0.20 -2.56 1.62 5.75 -1.26 -4.99 116.55 115.31 2aal n ASP 54 Ca 0.00 -1.17 -0.12 0.00 -0.01 0.00 0.00 54.79 53.49 2aal n ASP 54 Cb 0.00 -0.02 -0.00 0.00 -1.03 0.00 0.00 41.12 40.07 2aal n ASP 54 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 2aal n THR 55 N -0.06 -0.56 -1.00 2.12 -1.04 -1.26 -1.46 114.28 111.03 2aal n THR 55 Ca 0.00 0.00 -0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2aal n THR 55 Cb 0.49 -1.52 -0.00 0.00 -1.82 0.00 0.00 70.33 67.48 2aal n THR 55 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2aal n GLY 56 N -0.81 0.46 0.03 3.41 0.00 -1.26 -4.91 105.19 102.11 2aal n GLY 56 Ca -0.11 -0.33 0.15 0.00 0.00 0.00 0.00 46.02 45.72 2aal n GLY 56 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2aal n LEU 57 N -0.00 0.12 -0.38 0.99 4.77 -0.53 -4.95 117.00 117.01 2aal n LEU 57 Ca -0.00 0.23 -0.02 0.00 -0.03 0.00 0.00 56.01 56.19 2aal n LEU 57 Cb 0.00 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 40.82 2aal n LEU 57 CO 0.00 0.02 -0.01 0.61 -1.33 0.00 0.00 177.39 176.68 2aal n GLY 58 N 1.30 0.46 3.64 -0.72 0.00 -1.26 -5.05 105.19 103.56 2aal n GLY 58 Ca 0.14 -0.75 -0.40 0.00 0.00 0.00 0.00 46.02 45.01 2aal n GLY 58 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2aal s TYR 59 N -2.38 3.32 0.00 1.61 2.02 -1.26 -5.02 117.35 115.64 2aal s TYR 59 Ca 0.02 0.79 0.00 0.00 -0.37 0.00 0.00 57.07 57.50 2aal s TYR 59 Cb -0.01 -2.76 0.00 0.00 -0.40 0.00 0.00 41.96 38.80 2aal s TYR 59 CO 0.02 -0.22 0.00 0.41 -1.57 0.00 0.00 175.55 174.19 2aal n GLY 60 N 4.06 0.31 3.84 0.71 0.00 -1.26 -4.78 105.19 108.07 2aal n GLY 60 Ca -0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 2aal n GLY 60 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2aal s ARG 61 N -0.80 4.01 0.37 1.61 1.81 -1.26 -4.64 118.95 120.05 2aal s ARG 61 Ca 0.00 0.83 0.06 0.00 -1.72 0.00 0.00 55.73 54.90 2aal s ARG 61 Cb 0.00 -2.28 -0.03 0.00 -0.45 0.00 0.00 34.95 32.20 2aal s ARG 61 CO 0.00 -0.04 0.22 -1.54 -0.68 0.00 0.00 175.30 173.26 2aal s SER 62 N -2.61 2.16 0.00 0.23 1.04 -1.26 -5.02 113.70 108.23 2aal s SER 62 Ca 0.57 -1.75 0.08 0.00 0.48 0.00 0.00 55.95 55.34 2aal s SER 62 Cb -0.10 0.57 0.35 0.00 0.10 0.00 0.00 66.02 66.95 2aal s SER 62 CO 0.22 -1.03 1.25 -1.20 0.98 0.00 0.00 173.24 173.46 2aal n SER 63 N -1.50 0.00 0.00 7.02 7.64 -1.26 -1.37 113.62 124.15 2aal n SER 63 Ca 0.02 0.47 0.10 0.00 1.01 0.00 0.00 58.87 60.48 2aal n SER 63 Cb 0.63 -0.48 0.55 0.00 -1.01 0.00 0.00 64.21 63.90 2aal n SER 63 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2aal n ALA 64 N -1.48 2.13 -1.63 -0.43 0.00 -1.26 -4.34 120.51 113.49 2aal n ALA 64 Ca 0.02 -0.10 -0.43 0.00 0.00 0.00 0.00 53.44 52.93 2aal n ALA 64 Cb 0.09 -1.34 -0.01 0.00 0.00 0.00 0.00 19.45 18.19 2aal n ALA 64 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 2aal n VAL 65 N -1.25 2.12 -4.10 0.00 3.14 -0.47 -4.93 118.33 112.84 2aal n VAL 65 Ca 0.11 -0.50 -0.32 0.00 -2.96 0.00 0.00 64.34 60.66 2aal n VAL 65 Cb 0.16 -1.24 -0.16 0.00 -1.06 0.00 0.00 33.84 31.53 2aal n VAL 65 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 2aal s VAL 66 N -1.13 1.97 -0.21 1.55 1.01 0.67 -4.29 120.40 119.97 2aal s VAL 66 Ca 0.59 -0.93 -0.09 0.00 0.00 0.00 0.00 61.98 61.54 2aal s VAL 66 Cb -0.62 -1.82 -0.05 0.00 0.00 0.00 0.00 36.38 33.90 2aal s VAL 66 CO 0.60 0.48 0.12 -0.22 0.00 0.00 0.00 175.10 176.08 2aal s LEU 67 N 1.31 4.00 -0.15 3.92 2.96 -0.01 -1.55 118.68 129.16 2aal s LEU 67 Ca 0.04 0.11 0.01 0.00 -0.22 0.00 0.00 54.13 54.06 2aal s LEU 67 Cb -0.13 -2.05 0.00 0.00 0.50 0.00 0.00 46.19 44.51 2aal s LEU 67 CO -0.12 0.12 -0.16 -0.22 -1.32 0.00 0.00 176.35 174.64 2aal s LEU 68 N 0.73 2.42 -0.14 -0.68 2.96 0.32 -0.37 118.68 123.91 2aal s LEU 68 Ca 0.06 -0.49 -0.01 0.00 -0.22 0.00 0.00 54.13 53.47 2aal s LEU 68 Cb -0.13 -1.54 -0.02 0.00 0.50 0.00 0.00 46.19 45.00 2aal s LEU 68 CO 0.02 0.08 -0.10 0.42 -1.32 0.00 0.00 176.35 175.45 2aal s THR 69 N 0.83 3.28 -0.10 3.68 -4.23 -0.03 -0.63 115.64 118.43 2aal s THR 69 Ca -0.05 -0.58 0.01 0.00 -1.18 0.00 0.00 61.69 59.89 2aal s THR 69 Cb -0.15 -2.40 -0.02 0.00 1.34 0.00 0.00 72.50 71.26 2aal s THR 69 CO -0.01 0.51 -0.12 -0.69 -0.54 0.00 0.00 174.62 173.77 2aal s VAL 70 N 0.44 3.19 -0.18 2.29 1.01 0.67 -0.12 120.40 127.69 2aal s VAL 70 Ca -0.08 -0.64 -0.04 0.00 0.00 0.00 0.00 61.98 61.22 2aal s VAL 70 Cb -0.15 -2.31 -0.02 0.00 0.00 0.00 0.00 36.38 33.89 2aal s VAL 70 CO 0.04 0.55 -0.03 -0.63 0.00 0.00 0.00 175.10 175.03 2aal s ILE 71 N -0.13 3.76 -0.02 2.22 1.01 -0.16 -0.59 121.20 127.29 2aal s ILE 71 Ca -0.01 -0.39 -0.14 0.00 0.00 0.00 0.00 60.65 60.12 2aal s ILE 71 Cb -0.14 -2.68 0.02 0.00 0.01 0.00 0.00 42.46 39.68 2aal s ILE 71 CO 0.03 0.46 0.29 -0.55 0.00 0.00 0.00 174.94 175.17 2aal s SER 72 N 0.82 -0.18 0.99 3.58 0.15 -0.21 -0.86 113.70 117.99 2aal s SER 72 Ca -0.01 0.11 -0.11 0.00 0.70 0.00 0.00 55.95 56.65 2aal s SER 72 Cb -0.14 0.34 0.19 0.00 -1.71 0.00 0.00 66.02 64.69 2aal s SER 72 CO 0.02 -0.41 1.11 -0.13 1.20 0.00 0.00 173.24 175.03 2aal s ARG 73 N -1.18 0.41 0.24 5.44 0.52 -1.26 -1.43 118.95 121.69 2aal s ARG 73 Ca -0.12 1.30 -0.31 0.00 -0.52 0.00 0.00 55.73 56.08 2aal s ARG 73 Cb -0.05 -1.68 -0.11 0.00 0.52 0.00 0.00 34.95 33.63 2aal s ARG 73 CO 0.04 -2.96 1.65 -2.14 0.02 0.00 0.00 175.30 171.90 2aal s PRO 74 N -4.60 4.14 0.22 3.54 0.02 -1.25 -4.83 135.00 132.24 2aal s PRO 74 Ca 0.67 2.56 0.11 0.00 0.02 0.00 0.00 61.00 64.37 2aal s PRO 74 Cb -0.23 -3.06 -0.05 0.00 0.02 0.00 0.00 34.50 31.18 2aal s PRO 74 CO 0.60 -0.68 -0.22 1.03 -0.33 0.00 0.00 177.00 177.40 2aal s ARG 75 N 0.41 1.60 0.75 5.54 1.81 -1.26 -5.13 118.95 122.67 2aal s ARG 75 Ca 0.69 -1.58 -0.14 0.00 -1.72 0.00 0.00 55.73 52.98 2aal s ARG 75 Cb -0.48 -1.85 0.05 0.00 -0.45 0.00 0.00 34.95 32.23 2aal s ARG 75 CO 0.39 0.38 1.17 -1.54 -0.68 0.00 0.00 175.30 175.03 2aal s SER 76 N -2.92 4.14 0.33 0.23 1.04 -1.26 -4.88 113.70 110.38 2aal s SER 76 Ca 0.24 2.24 0.08 0.00 0.48 0.00 0.00 55.95 58.98 2aal s SER 76 Cb -0.07 -2.57 0.79 0.00 0.10 0.00 0.00 66.02 64.26 2aal s SER 76 CO 0.12 -2.30 1.82 -0.08 0.98 0.00 0.00 173.24 173.78 2aal h GLU 77 N -0.57 0.70 -0.50 4.02 4.81 -2.00 -2.03 114.58 119.02 2aal h GLU 77 Ca -0.46 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 58.63 2aal h GLU 77 Cb 1.28 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 30.48 2aal h GLU 77 CO 0.49 0.47 -0.07 0.93 -0.73 0.00 0.00 179.01 180.10 2aal h GLU 78 N 0.73 0.88 -0.29 1.92 3.07 -1.99 -1.36 114.58 117.53 2aal h GLU 78 Ca 0.52 -0.29 -0.13 0.00 -0.50 0.00 0.00 59.36 58.96 2aal h GLU 78 Cb 0.84 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.67 2aal h GLU 78 CO -0.28 0.92 -0.36 1.96 -1.40 0.00 0.00 179.01 179.85 2aal h GLN 79 N 0.80 0.65 -0.08 2.33 4.20 -1.69 -0.98 115.11 120.34 2aal h GLN 79 Ca 0.14 -0.31 -0.04 0.00 0.06 0.00 0.00 58.65 58.50 2aal h GLN 79 Cb 0.58 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.35 2aal h GLN 79 CO 0.04 0.91 -0.11 0.87 -0.67 0.00 0.00 178.83 179.86 2aal h LYS 80 N 0.54 0.21 -0.65 1.46 1.57 -1.09 0.58 116.57 119.19 2aal h LYS 80 Ca 0.05 -0.12 0.12 0.00 -1.87 0.00 0.00 60.65 58.83 2aal h LYS 80 Cb 0.87 0.01 -0.08 0.00 0.08 0.00 0.00 32.23 33.10 2aal h LYS 80 CO 0.07 0.68 0.22 0.28 -0.57 0.00 0.00 179.45 180.13 2aal h VAL 81 N -0.24 0.69 -0.27 0.50 2.07 -1.23 -1.22 116.25 116.55 2aal h VAL 81 Ca 0.01 -0.13 -0.08 0.00 0.82 0.00 0.00 66.70 67.32 2aal h VAL 81 Cb 0.66 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 2aal h VAL 81 CO 0.03 0.07 -0.15 0.00 0.02 0.00 0.00 177.57 177.54 2aal h PHE 83 N 0.30 0.18 -0.73 0.00 3.57 -0.41 0.18 116.94 120.03 2aal h PHE 83 Ca 0.06 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.65 2aal h PHE 83 Cb 0.67 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 39.35 2aal h PHE 83 CO 0.06 -0.01 0.42 1.88 -2.23 0.00 0.00 178.31 178.44 2aal h TYR 84 N 0.25 0.77 -0.31 0.41 0.05 -1.02 0.18 116.97 117.31 2aal h TYR 84 Ca 0.27 0.03 -0.13 0.00 0.05 0.00 0.00 58.73 58.95 2aal h TYR 84 Cb 0.37 -0.24 -0.00 0.00 1.01 0.00 0.00 36.73 37.87 2aal h TYR 84 CO -0.23 0.37 -0.31 0.87 -1.05 0.00 0.00 178.16 177.82 2aal h LYS 85 N 0.77 0.75 -0.44 4.88 1.57 -1.08 -2.48 116.57 120.54 2aal h LYS 85 Ca 0.32 -0.40 -0.13 0.00 -1.87 0.00 0.00 60.65 58.57 2aal h LYS 85 Cb 0.19 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 2aal h LYS 85 CO -0.18 1.02 -0.25 -0.07 -0.57 0.00 0.00 179.45 179.40 2aal h LEU 86 N 0.51 0.97 -0.14 2.94 3.38 -0.36 -1.60 115.31 121.01 2aal h LEU 86 Ca 0.05 -0.38 0.03 0.00 0.09 0.00 0.00 57.88 57.67 2aal h LEU 86 Cb 0.88 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 2aal h LEU 86 CO 0.08 1.16 -0.04 0.25 0.09 0.00 0.00 178.44 179.98 2aal h LEU 87 N 0.80 -0.14 -0.41 1.67 5.85 -0.59 -0.38 115.31 122.11 2aal h LEU 87 Ca 0.10 0.04 -0.18 0.00 0.84 0.00 0.00 57.88 58.68 2aal h LEU 87 Cb 0.82 0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.94 2aal h LEU 87 CO 0.07 -0.05 -0.61 0.71 -0.34 0.00 0.00 178.44 178.22 2aal h THR 88 N -0.00 1.32 -0.38 1.05 1.35 -1.40 -0.96 112.91 113.88 2aal h THR 88 Ca 0.07 -1.87 0.00 0.00 -0.55 0.00 0.00 66.41 64.06 2aal h THR 88 Cb 0.11 1.83 -0.02 0.00 -1.73 0.00 0.00 68.15 68.34 2aal h THR 88 CO -0.15 0.58 0.24 1.23 -0.25 0.00 0.00 175.52 177.18 2aal h GLY 89 N 0.97 0.55 0.93 5.82 0.00 -1.13 -0.86 103.07 109.34 2aal h GLY 89 Ca -0.01 -0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.10 2aal h GLY 89 CO 0.12 0.21 -0.06 0.00 0.00 0.00 0.00 176.54 176.81 2aal h ALA 90 N 1.12 -0.17 -0.47 3.60 0.00 -0.94 -1.76 119.26 120.63 2aal h ALA 90 Ca 0.14 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2aal h ALA 90 Cb -0.02 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2aal h ALA 90 CO -0.03 -0.56 0.26 -0.07 0.00 0.00 0.00 179.25 178.85 2aal h LEU 91 N -0.24 0.57 0.41 0.00 3.38 -1.13 0.35 115.31 118.65 2aal h LEU 91 Ca -0.02 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 2aal h LEU 91 Cb 0.19 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.80 2aal h LEU 91 CO 0.03 0.46 -0.20 -0.08 0.09 0.00 0.00 178.44 178.74 2aal h GLU 92 N 0.65 -0.53 -0.22 1.13 4.81 -1.03 -1.48 114.58 117.91 2aal h GLU 92 Ca 0.17 0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 59.33 2aal h GLU 92 Cb 0.02 0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.52 2aal h GLU 92 CO -0.03 -0.23 -0.27 0.00 -0.73 0.00 0.00 179.01 177.76 2aal h ARG 93 N -0.84 0.57 0.00 1.92 2.47 -1.14 -1.78 114.38 115.58 2aal h ARG 93 Ca -0.06 -0.32 -0.22 0.00 -1.26 0.00 0.00 59.98 58.12 2aal h ARG 93 Cb 0.55 0.02 -0.03 0.00 -1.65 0.00 0.00 29.97 28.85 2aal h ARG 93 CO 0.09 0.92 -1.21 -0.44 0.56 0.00 0.00 179.97 179.89 2aal h ASP 94 N 0.26 0.00 0.00 7.04 3.32 -0.46 -3.40 116.42 123.17 2aal h ASP 94 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 2aal h ASP 94 Cb 0.84 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.39 2aal h ASP 94 CO 0.06 0.91 0.00 0.00 -1.72 0.00 0.00 179.24 178.49 2aal n GLY 96 N 0.76 -0.02 3.61 0.00 0.00 -0.64 -4.97 105.19 103.94 2aal n GLY 96 Ca 0.00 -0.43 -0.37 0.00 0.00 0.00 0.00 46.02 45.22 2aal n GLY 96 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2aal s ILE 97 N -2.59 5.17 0.43 -0.61 1.01 -0.74 -4.96 121.20 118.90 2aal s ILE 97 Ca 0.04 0.12 -0.26 0.00 0.00 0.00 0.00 60.65 60.54 2aal s ILE 97 Cb -0.02 -3.42 -0.09 0.00 0.01 0.00 0.00 42.46 38.94 2aal s ILE 97 CO 0.04 0.33 1.42 -0.24 0.00 0.00 0.00 174.94 176.49 2aal n SER 98 N 4.51 3.32 0.25 3.58 2.88 -1.26 -2.93 113.62 123.97 2aal n SER 98 Ca -0.15 1.14 0.16 0.00 -1.33 0.00 0.00 58.87 58.69 2aal n SER 98 Cb 0.52 -1.59 0.84 0.00 -0.75 0.00 0.00 64.21 63.23 2aal n SER 98 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 2aal h PRO 99 N 2.40 0.00 0.00 -1.46 0.11 -1.96 -0.02 132.00 131.07 2aal h PRO 99 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2aal h PRO 99 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2aal h PRO 99 CO 0.61 0.00 0.00 -0.44 -0.21 0.00 0.00 178.00 177.96 2aal h ASP 100 N 0.00 0.00 -0.54 -2.05 5.19 -1.90 -3.06 116.42 114.06 2aal h ASP 100 Ca 0.00 0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 56.32 2aal h ASP 100 Cb 0.14 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 39.60 2aal h ASP 100 CO 0.00 0.00 0.09 0.47 -3.12 0.00 0.00 179.24 176.68 2aal n ASP 101 N -2.35 4.78 -4.09 6.45 8.00 -0.02 -4.46 116.55 124.86 2aal n ASP 101 Ca 0.02 -3.11 -0.28 0.00 0.71 0.00 0.00 54.79 52.13 2aal n ASP 101 Cb 0.23 -0.67 -0.17 0.00 -0.02 0.00 0.00 41.12 40.49 2aal n ASP 101 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2aal s VAL 102 N -2.90 1.49 -0.04 2.53 1.01 -1.16 -0.24 120.40 121.09 2aal s VAL 102 Ca 0.51 -0.67 0.02 0.00 0.00 0.00 0.00 61.98 61.83 2aal s VAL 102 Cb 0.41 -1.33 0.02 0.00 0.00 0.00 0.00 36.38 35.48 2aal s VAL 102 CO 0.12 0.43 -0.06 -0.63 0.00 0.00 0.00 175.10 174.96 2aal s ILE 103 N 0.63 0.65 -0.07 2.22 1.01 -0.60 -5.00 121.20 120.05 2aal s ILE 103 Ca -0.14 -0.21 0.03 0.00 0.00 0.00 0.00 60.65 60.32 2aal s ILE 103 Cb -0.16 -0.63 0.01 0.00 0.01 0.00 0.00 42.46 41.68 2aal s ILE 103 CO 0.04 0.24 -0.15 -0.69 0.00 0.00 0.00 174.94 174.38 2aal s VAL 104 N 0.70 1.32 -0.05 2.92 1.01 -1.26 -0.52 120.40 124.52 2aal s VAL 104 Ca -0.10 -0.60 0.06 0.00 0.00 0.00 0.00 61.98 61.34 2aal s VAL 104 Cb -0.13 -1.18 -0.01 0.00 0.00 0.00 0.00 36.38 35.05 2aal s VAL 104 CO 0.01 0.40 -0.24 0.00 0.00 0.00 0.00 175.10 175.26 2aal s ALA 105 N 0.54 2.08 -0.09 5.51 0.00 0.19 -4.98 121.76 125.01 2aal s ALA 105 Ca -0.14 -1.02 0.04 0.00 0.00 0.00 0.00 51.96 50.84 2aal s ALA 105 Cb -0.16 -0.63 -0.01 0.00 0.00 0.00 0.00 23.12 22.32 2aal s ALA 105 CO 0.04 0.42 -0.21 -1.17 0.00 0.00 0.00 175.76 174.85 2aal s LEU 106 N -0.22 2.30 0.05 0.00 0.20 -1.26 -0.24 118.68 119.50 2aal s LEU 106 Ca -0.01 -0.45 0.09 0.00 0.69 0.00 0.00 54.13 54.45 2aal s LEU 106 Cb -0.13 -1.46 -0.03 0.00 -0.43 0.00 0.00 46.19 44.14 2aal s LEU 106 CO 0.03 0.21 -0.26 -0.69 -0.29 0.00 0.00 176.35 175.35 2aal s VAL 107 N 0.05 2.17 0.09 1.68 1.01 0.25 -4.95 120.40 120.70 2aal s VAL 107 Ca -0.08 -1.38 0.06 0.00 0.00 0.00 0.00 61.98 60.57 2aal s VAL 107 Cb -0.15 -1.85 -0.04 0.00 0.00 0.00 0.00 36.38 34.34 2aal s VAL 107 CO 0.05 0.37 -0.06 -1.61 0.00 0.00 0.00 175.10 173.85 2aal s GLU 108 N -1.25 2.34 0.00 2.72 2.02 -1.26 -1.05 118.70 122.22 2aal s GLU 108 Ca 0.12 -0.92 0.00 0.00 0.02 0.00 0.00 54.97 54.19 2aal s GLU 108 Cb -0.10 -2.42 0.00 0.00 0.10 0.00 0.00 34.13 31.71 2aal s GLU 108 CO 0.02 0.53 0.00 0.27 0.02 0.00 0.00 175.26 176.10 2aal n ASN 109 N 0.74 0.00 -0.64 -0.19 0.23 -0.52 -4.90 115.26 109.98 2aal n ASN 109 Ca -0.13 -0.37 0.00 0.00 -0.53 0.00 0.00 54.58 53.55 2aal n ASN 109 Cb 0.52 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.22 2aal n ASN 109 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 2aal n SER 110 N -1.09 0.10 -0.35 0.53 2.88 -1.26 -3.78 113.62 110.65 2aal n SER 110 Ca 0.00 -0.61 0.09 0.00 -1.33 0.00 0.00 58.87 57.02 2aal n SER 110 Cb 0.00 0.00 0.27 0.00 -0.75 0.00 0.00 64.21 63.73 2aal n SER 110 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 2aal h ASP 111 N 0.00 0.88 -0.01 -3.46 3.32 -1.99 -0.76 116.42 114.39 2aal h ASP 111 Ca 0.00 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.11 2aal h ASP 111 Cb 0.00 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.44 2aal h ASP 111 CO 0.00 0.43 0.00 0.00 -1.72 0.00 0.00 179.24 177.95 2aal n ALA 112 N -2.35 2.65 -0.99 3.45 0.00 -1.26 -4.01 120.51 117.99 2aal n ALA 112 Ca 0.20 -0.28 0.02 0.00 0.00 0.00 0.00 53.44 53.38 2aal n ALA 112 Cb 0.41 -1.39 0.34 0.00 0.00 0.00 0.00 19.45 18.82 2aal n ALA 112 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2aal n ASP 113 N -0.59 5.06 -3.87 0.00 8.00 -0.29 -4.90 116.55 119.96 2aal n ASP 113 Ca 0.22 -3.09 -0.16 0.00 0.71 0.00 0.00 54.79 52.47 2aal n ASP 113 Cb 0.19 -0.69 -0.15 0.00 -0.02 0.00 0.00 41.12 40.45 2aal n ASP 113 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 2aal s TRP 114 N -2.89 0.29 -0.14 1.24 0.52 -1.26 -4.91 118.94 111.79 2aal s TRP 114 Ca 0.53 -0.03 -0.01 0.00 0.02 0.00 0.00 56.10 56.62 2aal s TRP 114 Cb 0.42 -0.29 0.03 0.00 -1.15 0.00 0.00 33.47 32.48 2aal s TRP 114 CO 0.14 -0.07 -0.06 0.45 0.02 0.00 0.00 176.95 177.43 2aal s SER 115 N 0.47 2.50 0.11 2.95 0.15 -1.26 -4.12 113.70 114.50 2aal s SER 115 Ca -0.05 -0.49 0.24 0.00 0.70 0.00 0.00 55.95 56.35 2aal s SER 115 Cb -0.07 -0.85 0.29 0.00 -1.71 0.00 0.00 66.02 63.67 2aal s SER 115 CO -0.01 -0.16 1.26 0.49 1.20 0.00 0.00 173.24 176.02 2aal n PHE 116 N 4.92 0.51 0.00 3.44 3.72 -1.26 -4.96 117.46 123.84 2aal n PHE 116 Ca -0.12 0.15 0.00 0.00 -0.05 0.00 0.00 57.45 57.43 2aal n PHE 116 Cb 0.49 -0.62 0.00 0.00 -0.94 0.00 0.00 39.48 38.40 2aal n PHE 116 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2aal n GLY 117 N 1.34 0.77 2.51 1.37 0.00 -1.26 -5.03 105.19 104.88 2aal n GLY 117 Ca 0.03 -0.74 -0.05 0.00 0.00 0.00 0.00 46.02 45.26 2aal n GLY 117 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2aal n ARG 118 N -0.11 -1.07 -1.21 1.61 1.74 -1.26 -1.89 116.66 114.46 2aal n ARG 118 Ca 0.00 0.58 -0.07 0.00 -0.77 0.00 0.00 57.85 57.58 2aal n ARG 118 Cb 0.00 -4.54 -0.03 0.00 -1.02 0.00 0.00 32.46 26.87 2aal n ARG 118 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2aal n GLY 119 N -0.93 0.89 3.90 -0.13 0.00 -1.26 -4.99 105.19 102.67 2aal n GLY 119 Ca -0.05 -0.36 -0.32 0.00 0.00 0.00 0.00 46.02 45.28 2aal n GLY 119 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2aal s ARG 120 N -2.29 3.57 -0.87 1.61 0.52 -0.79 -5.04 118.95 115.66 2aal s ARG 120 Ca 0.00 -0.16 -0.11 0.00 -0.52 0.00 0.00 55.73 54.94 2aal s ARG 120 Cb 0.00 -2.97 0.23 0.00 0.52 0.00 0.00 34.95 32.73 2aal s ARG 120 CO 0.00 0.56 0.81 0.00 0.02 0.00 0.00 175.30 176.68 2aal s ALA 121 N -1.51 4.18 0.46 2.13 0.00 -1.26 -4.05 121.76 121.71 2aal s ALA 121 Ca 0.35 -3.45 0.14 0.00 0.00 0.00 0.00 51.96 49.00 2aal s ALA 121 Cb -0.13 -3.42 1.05 0.00 0.00 0.00 0.00 23.12 20.63 2aal s ALA 121 CO 0.23 -2.24 2.03 0.93 0.00 0.00 0.00 175.76 176.71 2aal h GLU 122 N 7.40 0.06 -0.01 0.00 3.07 -1.90 0.18 114.58 123.38 2aal h GLU 122 Ca 0.11 -0.01 -0.08 0.00 -0.50 0.00 0.00 59.36 58.88 2aal h GLU 122 Cb 0.99 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.88 2aal h GLU 122 CO 0.80 0.16 -0.38 0.74 -1.40 0.00 0.00 179.01 178.93 2aal h PHE 123 N 0.06 0.01 0.04 4.33 0.04 -1.78 -1.51 116.94 118.13 2aal h PHE 123 Ca 0.01 -0.00 -0.28 0.00 2.80 0.00 0.00 57.97 60.50 2aal h PHE 123 Cb 0.21 -0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.38 2aal h PHE 123 CO 0.00 0.39 -1.12 -0.07 -0.60 0.00 0.00 178.31 176.92 2aal h LEU 124 N 0.01 0.91 -0.87 1.54 3.38 -0.91 -3.22 115.31 116.14 2aal h LEU 124 Ca -0.00 -0.77 -0.01 0.00 0.09 0.00 0.00 57.88 57.19 2aal h LEU 124 Cb 0.69 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 2aal h LEU 124 CO 0.05 1.57 -0.04 0.71 0.09 0.00 0.00 178.44 180.82 2aal h THR 125 N 0.36 0.08 0.00 0.22 1.35 -1.17 -3.48 112.91 110.27 2aal h THR 125 Ca -0.15 -0.79 0.00 0.00 -0.55 0.00 0.00 66.41 64.91 2aal h THR 125 Cb 1.78 1.74 0.00 0.00 -1.73 0.00 0.00 68.15 69.93 2aal h THR 125 CO 0.22 0.04 0.00 0.61 -0.25 0.00 0.00 175.52 176.13 2aal n GLY 126 N 0.46 0.54 0.35 5.82 0.00 -0.63 -4.95 105.19 106.78 2aal n GLY 126 Ca 0.02 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.06 2aal n GLY 126 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2aal h ASP 127 N 0.00 0.94 -2.09 1.61 3.32 -1.74 -3.42 116.42 115.03 2aal h ASP 127 Ca 0.00 0.02 -0.56 0.00 0.02 0.00 0.00 57.03 56.50 2aal h ASP 127 Cb 0.00 -0.18 -0.10 0.00 0.22 0.00 0.00 39.33 39.27 2aal h ASP 127 CO 0.00 0.59 -0.63 -0.76 -1.72 0.00 0.00 179.24 176.72 2aal s LEU 128 N -10.20 3.13 -0.01 1.55 1.43 -0.85 -5.03 118.68 108.70 2aal s LEU 128 Ca -0.12 -0.76 0.00 0.00 -1.03 0.00 0.00 54.13 52.22 2aal s LEU 128 Cb 0.20 -1.61 -0.04 0.00 0.03 0.00 0.00 46.19 44.77 2aal s LEU 128 CO 0.80 -0.10 0.04 0.54 0.23 0.00 0.00 176.35 177.86 2aal s VAL 129 N -2.39 4.44 0.00 -1.59 0.11 -1.26 -4.41 120.40 115.29 2aal s VAL 129 Ca 0.33 -0.47 0.00 0.00 -2.93 0.00 0.00 61.98 58.91 2aal s VAL 129 Cb -0.04 -2.99 0.00 0.00 -1.53 0.00 0.00 36.38 31.81 2aal s VAL 129 CO 0.20 0.39 0.00 0.61 -3.33 0.00 0.00 175.10 172.97