#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 2.69 -0.27 1.53 2.96 -0.05 -4.28 118.68 121.26 2aal s LEU 2 Ca 0.00 -0.35 -0.05 0.00 -0.22 0.00 0.00 54.13 53.51 2aal s LEU 2 Cb 0.00 -1.61 0.01 0.00 0.50 0.00 0.00 46.19 45.09 2aal s LEU 2 CO 0.00 0.15 0.02 -0.76 -1.32 0.00 0.00 176.35 174.44 2aal s LEU 3 N 0.46 3.55 -0.20 -0.68 1.02 -0.20 -1.48 118.68 121.15 2aal s LEU 3 Ca -0.10 -0.75 -0.03 0.00 0.02 0.00 0.00 54.13 53.28 2aal s LEU 3 Cb -0.16 -1.79 -0.01 0.00 0.02 0.00 0.00 46.19 44.25 2aal s LEU 3 CO 0.05 -0.16 -0.08 -0.54 0.02 0.00 0.00 176.35 175.64 2aal s LYS 4 N 1.43 3.34 -0.09 1.70 1.02 0.73 -0.93 119.74 126.95 2aal s LYS 4 Ca 0.02 -0.65 -0.03 0.00 0.02 0.00 0.00 55.97 55.33 2aal s LYS 4 Cb -0.17 -2.89 -0.03 0.00 -0.52 0.00 0.00 37.83 34.21 2aal s LYS 4 CO -0.00 -0.12 0.03 -0.06 -0.92 0.00 0.00 175.35 174.28 2aal s PHE 5 N 1.24 3.25 -0.22 3.18 0.40 0.55 -0.65 117.98 125.73 2aal s PHE 5 Ca 0.03 0.26 -0.01 0.00 -0.60 0.00 0.00 56.93 56.61 2aal s PHE 5 Cb -0.14 -1.82 0.02 0.00 0.51 0.00 0.00 43.02 41.59 2aal s PHE 5 CO -0.03 0.53 -0.10 -0.51 0.70 0.00 0.00 175.22 175.81 2aal s ASP 6 N -0.94 4.00 0.19 1.36 1.01 0.10 -0.86 116.67 121.53 2aal s ASP 6 Ca 0.14 -0.71 0.02 0.00 0.71 0.00 0.00 52.55 52.71 2aal s ASP 6 Cb -0.11 -1.63 -0.05 0.00 1.01 0.00 0.00 42.92 42.14 2aal s ASP 6 CO 0.03 -0.07 0.01 -1.48 0.21 0.00 0.00 175.17 173.87 2aal s LEU 7 N 1.35 2.09 0.30 1.23 2.34 -0.70 -1.19 118.68 124.10 2aal s LEU 7 Ca 0.03 -1.19 -0.20 0.00 0.06 0.00 0.00 54.13 52.82 2aal s LEU 7 Cb -0.15 -0.08 -0.09 0.00 -0.56 0.00 0.00 46.19 45.31 2aal s LEU 7 CO -0.06 -0.57 0.81 -0.36 -1.06 0.00 0.00 176.35 175.10 2aal s PHE 8 N -3.63 3.53 0.71 3.48 0.08 -1.26 0.02 117.98 120.92 2aal s PHE 8 Ca 0.26 1.46 -0.16 0.00 0.12 0.00 0.00 56.93 58.60 2aal s PHE 8 Cb 0.06 -2.70 -0.05 0.00 -0.57 0.00 0.00 43.02 39.76 2aal s PHE 8 CO 0.05 0.18 0.46 0.66 -0.10 0.00 0.00 175.22 176.48 2aal n TYR 9 N 0.20 -1.00 0.00 0.36 4.01 -0.44 -4.53 117.16 115.75 2aal n TYR 9 Ca 0.02 0.35 0.00 0.00 -0.16 0.00 0.00 57.90 58.11 2aal n TYR 9 Cb 0.52 -1.89 0.00 0.00 -0.31 0.00 0.00 39.34 37.65 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 1.74 1.11 3.84 2.72 0.00 -1.26 -4.98 105.19 108.35 2aal n GLY 10 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 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 4.06 0.90 1.61 0.52 -1.26 -5.07 118.95 119.71 2aal s ARG 11 Ca 0.00 0.66 -0.12 0.00 -0.52 0.00 0.00 55.73 55.75 2aal s ARG 11 Cb 0.00 -2.68 0.13 0.00 0.52 0.00 0.00 34.95 32.92 2aal s ARG 11 CO 0.00 0.30 1.10 0.95 0.02 0.00 0.00 175.30 177.68 2aal s THR 12 N -1.73 2.47 0.23 0.02 -4.23 -1.26 -4.80 115.64 106.34 2aal s THR 12 Ca 0.47 0.15 -0.07 0.00 -1.18 0.00 0.00 61.69 61.07 2aal s THR 12 Cb -0.13 -2.76 0.19 0.00 1.34 0.00 0.00 72.50 71.14 2aal s THR 12 CO 0.19 -0.20 1.83 0.44 -0.54 0.00 0.00 174.62 176.34 2aal h ASP 13 N -1.52 0.71 -0.60 3.99 3.32 -1.99 -0.62 116.42 119.72 2aal h ASP 13 Ca -0.50 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 56.55 2aal h ASP 13 Cb 1.30 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 40.70 2aal h ASP 13 CO 0.58 0.45 0.30 0.00 -1.72 0.00 0.00 179.24 178.85 2aal h ALA 14 N 1.39 0.77 -0.69 3.45 0.00 -1.99 -0.65 119.26 121.53 2aal h ALA 14 Ca 0.35 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 2aal h ALA 14 Cb 0.20 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 2aal h ALA 14 CO -0.18 0.32 0.30 1.96 0.00 0.00 0.00 179.25 181.64 2aal h GLN 15 N 0.81 1.00 -0.36 0.00 4.20 -1.71 0.30 115.11 119.35 2aal h GLN 15 Ca 0.21 -0.15 -0.03 0.00 0.06 0.00 0.00 58.65 58.73 2aal h GLN 15 Cb 0.10 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 2aal h GLN 15 CO -0.03 0.80 0.10 0.82 -0.67 0.00 0.00 178.83 179.85 2aal h ILE 16 N 0.99 1.22 -0.76 2.54 2.04 -0.66 -1.65 117.51 121.22 2aal h ILE 16 Ca 0.24 -0.72 -0.06 0.00 1.00 0.00 0.00 64.86 65.32 2aal h ILE 16 Cb 0.15 1.01 -0.03 0.00 -0.74 0.00 0.00 36.82 37.21 2aal h ILE 16 CO -0.02 0.25 0.26 0.50 0.00 0.00 0.00 178.15 179.13 2aal h LYS 17 N 0.42 1.17 -0.80 2.37 3.64 -0.75 -1.03 116.57 121.59 2aal h LYS 17 Ca 0.11 -0.24 0.05 0.00 -1.27 0.00 0.00 60.65 59.30 2aal h LYS 17 Cb 0.28 -0.18 -0.05 0.00 -0.41 0.00 0.00 32.23 31.87 2aal h LYS 17 CO -0.00 0.98 0.49 1.03 -2.27 0.00 0.00 179.45 179.68 2aal h SER 18 N 1.12 0.79 -0.14 4.20 0.87 -0.84 0.21 113.55 119.77 2aal h SER 18 Ca 0.25 0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.82 2aal h SER 18 Cb 0.28 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.08 2aal h SER 18 CO -0.01 0.52 0.08 0.25 -0.53 0.00 0.00 176.83 177.14 2aal h LEU 19 N 0.92 0.17 -0.74 2.23 5.85 -0.82 0.39 115.31 123.32 2aal h LEU 19 Ca 0.34 -0.07 -0.08 0.00 0.84 0.00 0.00 57.88 58.91 2aal h LEU 19 Cb 0.11 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 2aal h LEU 19 CO -0.15 0.19 0.11 -0.07 -0.34 0.00 0.00 178.44 178.19 2aal h LEU 20 N 0.13 1.03 -0.42 2.25 3.38 -0.51 -1.54 115.31 119.64 2aal h LEU 20 Ca 0.05 -0.24 -0.13 0.00 0.09 0.00 0.00 57.88 57.65 2aal h LEU 20 Cb 0.06 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 2aal h LEU 20 CO -0.01 1.01 -0.24 0.44 0.09 0.00 0.00 178.44 179.73 2aal h ASP 21 N 1.01 0.94 -0.28 -0.43 3.32 -0.43 -0.46 116.42 120.09 2aal h ASP 21 Ca 0.20 -0.42 -0.01 0.00 0.02 0.00 0.00 57.03 56.82 2aal h ASP 21 Cb 0.42 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 2aal h ASP 21 CO 0.01 1.15 0.12 0.00 -1.72 0.00 0.00 179.24 178.80 2aal h ALA 22 N 0.82 0.36 -0.71 3.45 0.00 -0.68 -1.76 119.26 120.74 2aal h ALA 22 Ca 0.09 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 2aal h ALA 22 Cb 0.82 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 2aal h ALA 22 CO 0.07 -0.05 0.16 0.00 0.00 0.00 0.00 179.25 179.43 2aal h ALA 23 N 0.96 0.95 -0.70 0.00 0.00 -1.16 -2.41 119.26 116.91 2aal h ALA 23 Ca 0.09 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 2aal h ALA 23 Cb 0.16 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 2aal h ALA 23 CO -0.01 0.67 0.24 1.25 0.00 0.00 0.00 179.25 181.40 2aal h HIS 24 N 1.08 1.09 -0.41 0.00 6.17 -0.85 -0.74 115.15 121.47 2aal h HIS 24 Ca 0.22 -0.09 -0.02 0.00 0.71 0.00 0.00 60.37 61.19 2aal h HIS 24 Cb 0.38 -0.32 -0.02 0.00 2.52 0.00 0.00 27.41 29.98 2aal h HIS 24 CO 0.03 0.85 0.17 0.78 0.71 0.00 0.00 177.93 180.47 2aal h GLY 25 N 1.08 0.66 1.01 5.26 0.00 -1.23 -0.06 103.07 109.79 2aal h GLY 25 Ca 0.23 -0.35 -0.00 0.00 0.00 0.00 0.00 47.33 47.20 2aal h GLY 25 CO -0.01 0.33 0.52 0.00 0.00 0.00 0.00 176.54 177.38 2aal h ALA 26 N 1.01 1.07 -0.02 3.60 0.00 -1.15 -1.15 119.26 122.62 2aal h ALA 26 Ca 0.14 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 2aal h ALA 26 Cb 0.18 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 2aal h ALA 26 CO -0.01 0.51 0.00 1.98 0.00 0.00 0.00 179.25 181.74 2aal h MET 27 N 1.15 0.04 -0.55 0.00 -1.53 -0.67 -0.71 114.93 112.65 2aal h MET 27 Ca 0.30 -0.01 -0.04 0.00 -3.44 0.00 0.00 59.70 56.51 2aal h MET 27 Cb -0.07 -0.00 -0.03 0.00 -0.55 0.00 0.00 31.60 30.95 2aal h MET 27 CO -0.06 0.29 0.16 -0.39 0.14 0.00 0.00 176.91 177.04 2aal h VAL 28 N -0.22 1.22 -0.07 -5.77 -1.51 -0.90 0.11 116.25 109.11 2aal h VAL 28 Ca 0.01 -0.76 -0.00 0.00 -1.23 0.00 0.00 66.70 64.71 2aal h VAL 28 Cb 0.27 0.63 -0.00 0.00 -2.13 0.00 0.00 31.29 30.06 2aal h VAL 28 CO 0.00 0.29 0.03 0.44 -1.23 0.00 0.00 177.57 177.10 2aal h ASP 29 N 0.80 0.09 0.20 4.19 3.32 -1.12 0.65 116.42 124.55 2aal h ASP 29 Ca 0.18 -0.14 -0.16 0.00 0.02 0.00 0.00 57.03 56.93 2aal h ASP 29 Cb 0.26 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 2aal h ASP 29 CO -0.01 0.20 -0.63 0.00 -1.72 0.00 0.00 179.24 177.09 2aal h ALA 30 N 0.89 0.70 0.00 3.45 0.00 -0.68 -3.32 119.26 120.31 2aal h ALA 30 Ca 0.02 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2aal h ALA 30 Cb 0.14 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2aal h ALA 30 CO -0.00 0.72 -1.36 1.19 0.00 0.00 0.00 179.25 179.80 2aal n PHE 31 N -3.89 0.16 -3.00 0.00 3.72 0.33 -4.77 117.46 110.01 2aal n PHE 31 Ca -0.03 0.05 -0.12 0.00 -0.05 0.00 0.00 57.45 57.29 2aal n PHE 31 Cb 0.64 -0.39 0.06 0.00 -0.94 0.00 0.00 39.48 38.85 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 1.35 -0.06 3.65 1.37 0.00 0.22 -5.04 105.19 106.67 2aal n GLY 32 Ca 0.00 -0.10 -0.23 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.23 3.26 0.43 1.61 -7.23 -1.23 -5.09 120.40 108.91 2aal s VAL 33 Ca 0.10 -1.91 -0.25 0.00 -1.81 0.00 0.00 61.98 58.10 2aal s VAL 33 Cb -0.04 -2.83 -0.10 0.00 0.56 0.00 0.00 36.38 33.97 2aal s VAL 33 CO 0.47 -0.33 1.24 -2.65 -0.31 0.00 0.00 175.10 173.53 2aal n PRO 34 N -0.92 1.85 0.17 4.82 -0.02 -1.26 -4.83 135.00 134.80 2aal n PRO 34 Ca -0.06 0.66 0.17 0.00 -2.02 0.00 0.00 63.50 62.25 2aal n PRO 34 Cb 0.60 -2.35 0.78 0.00 -0.02 0.00 0.00 33.50 32.50 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 1.99 1.98 -0.41 3.55 0.00 -1.99 -0.53 119.26 123.85 2aal h ALA 35 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2aal h ALA 35 Cb 1.30 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2aal h ALA 35 CO 0.59 -0.34 0.00 0.27 0.00 0.00 0.00 179.25 179.77 2aal n ASN 36 N -4.01 2.23 -3.73 0.00 0.23 -1.26 -4.33 115.26 104.38 2aal n ASN 36 Ca 0.03 -2.01 -0.42 0.00 -0.53 0.00 0.00 54.58 51.65 2aal n ASN 36 Cb 0.36 -0.28 -0.00 0.00 -2.08 0.00 0.00 39.78 37.78 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 0.70 5.35 -4.05 0.53 2.03 -0.21 -4.90 116.55 115.99 2aal n ASP 37 Ca 0.14 -2.99 -0.32 0.00 0.52 0.00 0.00 54.79 52.14 2aal n ASP 37 Cb 0.35 -1.53 -0.15 0.00 -0.72 0.00 0.00 41.12 39.08 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 1.19 2.15 -0.19 -0.67 3.52 -1.26 -4.75 118.95 118.94 2aal s ARG 38 Ca 0.46 -1.32 -0.04 0.00 -0.13 0.00 0.00 55.73 54.70 2aal s ARG 38 Cb 0.13 -2.86 0.06 0.00 -1.56 0.00 0.00 34.95 30.72 2aal s ARG 38 CO -0.04 -0.58 0.06 0.71 -0.81 0.00 0.00 175.30 174.64 2aal s TYR 39 N 1.13 0.69 -0.05 5.12 1.51 -1.26 -5.12 117.35 119.37 2aal s TYR 39 Ca -0.08 -0.67 -0.04 0.00 -1.01 0.00 0.00 57.07 55.26 2aal s TYR 39 Cb -0.20 -0.91 0.01 0.00 -0.11 0.00 0.00 41.96 40.76 2aal s TYR 39 CO -0.05 -0.59 0.13 -0.65 -1.11 0.00 0.00 175.55 173.28 2aal s GLN 40 N 1.97 0.15 0.14 -0.62 -0.21 -1.26 -1.03 119.66 118.80 2aal s GLN 40 Ca 0.01 0.19 0.04 0.00 0.02 0.00 0.00 55.36 55.62 2aal s GLN 40 Cb -0.17 0.06 -0.04 0.00 1.00 0.00 0.00 33.01 33.86 2aal s GLN 40 CO -0.10 -0.03 -0.10 0.95 -2.12 0.00 0.00 175.29 173.90 2aal s THR 41 N 0.13 1.11 -0.05 -0.19 -4.23 -0.11 -4.97 115.64 107.33 2aal s THR 41 Ca -0.00 -2.03 0.01 0.00 -1.18 0.00 0.00 61.69 58.48 2aal s THR 41 Cb -0.01 -1.81 0.02 0.00 1.34 0.00 0.00 72.50 72.04 2aal s THR 41 CO -0.00 -0.75 -0.05 -0.69 -0.54 0.00 0.00 174.62 172.59 2aal s VAL 42 N -3.32 0.60 -0.19 2.29 1.01 -1.26 -0.33 120.40 119.19 2aal s VAL 42 Ca 0.16 -0.14 0.01 0.00 0.00 0.00 0.00 61.98 62.00 2aal s VAL 42 Cb 0.03 -0.62 0.02 0.00 0.00 0.00 0.00 36.38 35.81 2aal s VAL 42 CO -0.00 0.24 -0.18 -0.44 0.00 0.00 0.00 175.10 174.72 2aal s SER 43 N 0.99 3.34 -0.01 3.32 0.01 -0.04 -4.97 113.70 116.35 2aal s SER 43 Ca -0.10 -0.73 -0.10 0.00 1.31 0.00 0.00 55.95 56.33 2aal s SER 43 Cb -0.14 -1.50 -0.05 0.00 0.21 0.00 0.00 66.02 64.54 2aal s SER 43 CO -0.00 -0.02 0.31 -1.10 0.41 0.00 0.00 173.24 172.84 2aal s GLN 44 N 1.27 3.69 0.09 12.44 -0.21 -1.26 -1.71 119.66 133.97 2aal s GLN 44 Ca 0.03 0.12 0.08 0.00 0.02 0.00 0.00 55.36 55.61 2aal s GLN 44 Cb -0.14 -3.13 -0.03 0.00 1.00 0.00 0.00 33.01 30.71 2aal s GLN 44 CO -0.12 0.67 -0.21 -1.01 -2.12 0.00 0.00 175.29 172.51 2aal s HIS 45 N -1.19 1.78 0.64 0.91 3.76 0.10 -4.83 115.29 116.46 2aal s HIS 45 Ca 0.25 -0.41 -0.12 0.00 -0.15 0.00 0.00 55.06 54.63 2aal s HIS 45 Cb -0.14 -1.00 -0.03 0.00 1.11 0.00 0.00 32.58 32.53 2aal s HIS 45 CO 0.13 0.17 1.04 1.03 -0.85 0.00 0.00 174.74 176.26 2aal s ARG 46 N -1.71 3.36 0.39 1.40 0.52 -1.26 -1.33 118.95 120.31 2aal s ARG 46 Ca 0.06 0.88 -0.26 0.00 -0.52 0.00 0.00 55.73 55.90 2aal s ARG 46 Cb -0.10 -2.05 -0.11 0.00 0.52 0.00 0.00 34.95 33.21 2aal s ARG 46 CO 0.04 -0.76 1.09 -2.30 0.02 0.00 0.00 175.30 173.38 2aal n PRO 47 N -2.72 1.54 0.00 3.54 -0.02 -1.26 -1.31 135.00 134.78 2aal n PRO 47 Ca 0.07 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 2aal n PRO 47 Cb 0.54 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 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 1.08 2.61 0.24 -1.23 0.00 -1.26 -4.89 105.19 101.74 2aal n GLY 48 Ca 0.08 -0.38 0.13 0.00 0.00 0.00 0.00 46.02 45.84 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 0.76 -4.45 1.61 1.02 -0.43 -4.74 120.64 114.41 2aal n GLU 49 Ca 0.00 -0.47 -0.20 0.00 -0.02 0.00 0.00 57.16 56.47 2aal n GLU 49 Cb 0.00 -1.49 -0.15 0.00 -0.02 0.00 0.00 31.44 29.78 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 -2.57 0.89 -0.19 3.49 -1.94 -1.26 -5.00 119.30 112.71 2aal s MET 50 Ca 0.22 -0.44 -0.00 0.00 -1.71 0.00 0.00 55.69 53.75 2aal s MET 50 Cb 0.19 -0.86 0.05 0.00 2.01 0.00 0.00 34.83 36.22 2aal s MET 50 CO 0.56 0.23 -0.05 0.08 -0.01 0.00 0.00 175.02 175.82 2aal s VAL 51 N -0.35 1.24 -0.32 -6.03 1.01 -1.26 -5.07 120.40 109.61 2aal s VAL 51 Ca 0.04 -0.82 -0.01 0.00 0.00 0.00 0.00 61.98 61.19 2aal s VAL 51 Cb -0.05 -1.45 0.10 0.00 0.00 0.00 0.00 36.38 34.99 2aal s VAL 51 CO -0.00 0.05 0.12 -0.76 0.00 0.00 0.00 175.10 174.51 2aal s LEU 52 N 1.56 2.02 0.00 3.92 1.43 -1.26 -5.11 118.68 121.24 2aal s LEU 52 Ca -0.01 -1.71 0.00 0.00 -1.03 0.00 0.00 54.13 51.38 2aal s LEU 52 Cb -0.16 -0.80 0.00 0.00 0.03 0.00 0.00 46.19 45.26 2aal s LEU 52 CO -0.07 -0.40 0.00 -0.62 0.23 0.00 0.00 176.35 175.48 2aal n GLU 53 N 4.75 3.60 -0.26 1.70 1.02 -1.26 -4.96 120.64 125.23 2aal n GLU 53 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 2aal n GLU 53 Cb 0.41 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.83 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 0.00 -2.96 1.62 5.75 -1.26 -5.00 116.55 114.70 2aal n ASP 54 Ca 0.00 -1.46 -0.15 0.00 -0.01 0.00 0.00 54.79 53.17 2aal n ASP 54 Cb 0.00 -0.09 -0.01 0.00 -1.03 0.00 0.00 41.12 39.99 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 0.00 -0.53 -1.12 2.12 -1.04 -1.26 -1.60 114.28 110.86 2aal n THR 55 Ca 0.00 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 61.97 2aal n THR 55 Cb 0.59 -1.20 -0.02 0.00 -1.82 0.00 0.00 70.33 67.89 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 -0.87 0.67 0.01 3.41 0.00 -1.26 -4.91 105.19 102.24 2aal n GLY 56 Ca -0.04 -0.43 0.15 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.46 0.06 -0.04 0.99 4.77 -0.63 -4.93 117.00 116.77 2aal n LEU 57 Ca -0.04 0.29 -0.00 0.00 -0.03 0.00 0.00 56.01 56.22 2aal n LEU 57 Cb 0.20 -0.31 -0.00 0.00 -2.33 0.00 0.00 43.42 40.97 2aal n LEU 57 CO 0.06 0.01 -0.01 0.61 -1.33 0.00 0.00 177.39 176.74 2aal n GLY 58 N 1.33 0.39 3.76 -0.72 0.00 -1.26 -5.05 105.19 103.64 2aal n GLY 58 Ca 0.13 -0.98 -0.40 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.02 3.94 -0.54 1.61 2.02 -1.26 -5.03 117.35 116.07 2aal s TYR 59 Ca 0.00 1.78 -0.17 0.00 -0.37 0.00 0.00 57.07 58.32 2aal s TYR 59 Cb 0.00 -2.89 0.12 0.00 -0.40 0.00 0.00 41.96 38.79 2aal s TYR 59 CO 0.00 0.47 0.54 0.20 -1.57 0.00 0.00 175.55 175.19 2aal s GLY 60 N -1.10 2.00 0.33 0.71 0.00 -1.26 -4.89 107.32 103.12 2aal s GLY 60 Ca 0.39 -2.40 0.02 0.00 0.00 0.00 0.00 44.72 42.74 2aal s GLY 60 CO 0.29 1.28 0.51 0.50 0.00 0.00 0.00 173.10 175.68 2aal s ARG 61 N 1.89 3.36 0.12 2.90 0.52 -1.26 -4.53 118.95 121.95 2aal s ARG 61 Ca 0.05 -0.55 0.01 0.00 -0.52 0.00 0.00 55.73 54.72 2aal s ARG 61 Cb -0.28 -2.72 -0.00 0.00 0.52 0.00 0.00 34.95 32.47 2aal s ARG 61 CO 0.04 0.15 0.13 -1.13 0.02 0.00 0.00 175.30 174.51 2aal n SER 62 N -1.72 -0.35 0.06 0.23 3.41 -1.26 -5.03 113.62 108.96 2aal n SER 62 Ca -0.04 -1.69 0.10 0.00 -0.26 0.00 0.00 58.87 56.98 2aal n SER 62 Cb 0.57 0.72 0.42 0.00 -0.26 0.00 0.00 64.21 65.66 2aal n SER 62 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2aal n SER 63 N -2.25 0.34 0.00 4.04 3.41 -1.26 -1.91 113.62 115.99 2aal n SER 63 Ca 0.01 0.57 0.11 0.00 -0.26 0.00 0.00 58.87 59.30 2aal n SER 63 Cb 0.20 -0.65 0.50 0.00 -0.26 0.00 0.00 64.21 64.00 2aal n SER 63 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2aal n ALA 64 N -1.64 2.05 -1.49 7.33 0.00 -1.26 -4.39 120.51 121.12 2aal n ALA 64 Ca 0.04 -0.09 -0.48 0.00 0.00 0.00 0.00 53.44 52.91 2aal n ALA 64 Cb 0.24 -1.35 -0.03 0.00 0.00 0.00 0.00 19.45 18.30 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 -1.42 1.62 -4.26 0.00 3.14 -0.80 -4.94 118.33 111.67 2aal n VAL 65 Ca 0.07 -0.40 -0.28 0.00 -2.96 0.00 0.00 64.34 60.76 2aal n VAL 65 Cb 0.22 -0.40 -0.17 0.00 -1.06 0.00 0.00 33.84 32.44 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 -0.78 1.43 -0.27 1.55 1.01 0.52 -4.27 120.40 119.58 2aal s VAL 66 Ca 0.67 -0.58 -0.08 0.00 0.00 0.00 0.00 61.98 61.99 2aal s VAL 66 Cb -0.89 -1.33 -0.02 0.00 0.00 0.00 0.00 36.38 34.13 2aal s VAL 66 CO 0.57 0.43 0.10 -0.22 0.00 0.00 0.00 175.10 175.98 2aal s LEU 67 N 1.22 3.71 -0.17 3.92 2.96 -0.33 -1.46 118.68 128.52 2aal s LEU 67 Ca -0.02 -0.32 -0.04 0.00 -0.22 0.00 0.00 54.13 53.52 2aal s LEU 67 Cb -0.14 -1.96 -0.03 0.00 0.50 0.00 0.00 46.19 44.57 2aal s LEU 67 CO -0.05 -0.09 -0.02 -0.22 -1.32 0.00 0.00 176.35 174.65 2aal s LEU 68 N 1.62 3.33 -0.12 -0.68 2.96 0.48 0.02 118.68 126.27 2aal s LEU 68 Ca 0.06 -0.11 -0.01 0.00 -0.22 0.00 0.00 54.13 53.84 2aal s LEU 68 Cb -0.16 -1.82 -0.02 0.00 0.50 0.00 0.00 46.19 44.69 2aal s LEU 68 CO 0.05 0.15 -0.09 0.42 -1.32 0.00 0.00 176.35 175.56 2aal s THR 69 N 0.47 3.49 -0.09 3.68 -4.23 0.17 -1.39 115.64 117.74 2aal s THR 69 Ca -0.02 -0.52 0.02 0.00 -1.18 0.00 0.00 61.69 59.99 2aal s THR 69 Cb -0.14 -2.48 -0.02 0.00 1.34 0.00 0.00 72.50 71.20 2aal s THR 69 CO 0.02 0.53 -0.16 -0.69 -0.54 0.00 0.00 174.62 173.78 2aal s VAL 70 N 0.10 2.83 -0.17 2.29 1.01 -0.03 -0.19 120.40 126.24 2aal s VAL 70 Ca -0.03 -0.77 -0.02 0.00 0.00 0.00 0.00 61.98 61.15 2aal s VAL 70 Cb -0.14 -2.14 -0.01 0.00 0.00 0.00 0.00 36.38 34.09 2aal s VAL 70 CO 0.04 0.56 -0.08 -0.63 0.00 0.00 0.00 175.10 174.98 2aal s ILE 71 N -0.08 3.33 -0.08 2.22 1.01 -0.55 -0.33 121.20 126.72 2aal s ILE 71 Ca -0.03 -0.54 -0.17 0.00 0.00 0.00 0.00 60.65 59.91 2aal s ILE 71 Cb -0.14 -2.46 0.04 0.00 0.01 0.00 0.00 42.46 39.91 2aal s ILE 71 CO 0.04 0.48 0.42 -0.55 0.00 0.00 0.00 174.94 175.32 2aal s SER 72 N 0.82 -0.37 0.91 3.58 0.15 -0.77 -0.87 113.70 117.16 2aal s SER 72 Ca -0.03 0.51 -0.12 0.00 0.70 0.00 0.00 55.95 57.02 2aal s SER 72 Cb -0.15 0.59 0.09 0.00 -1.71 0.00 0.00 66.02 64.84 2aal s SER 72 CO 0.01 -0.35 0.84 0.54 1.20 0.00 0.00 173.24 175.48 2aal n ARG 73 N 1.87 -0.30 -1.90 5.44 1.74 -1.26 -0.84 116.66 121.41 2aal n ARG 73 Ca -0.18 -0.03 -0.42 0.00 -0.77 0.00 0.00 57.85 56.46 2aal n ARG 73 Cb 0.57 -2.16 -0.02 0.00 -1.02 0.00 0.00 32.46 29.82 2aal n ARG 73 CO 0.00 0.00 0.00 -2.14 -1.52 0.00 0.00 177.63 173.97 2aal s PRO 74 N -4.12 4.20 0.16 5.56 0.02 -1.25 -4.79 135.00 134.78 2aal s PRO 74 Ca 0.64 2.43 0.10 0.00 0.02 0.00 0.00 61.00 64.19 2aal s PRO 74 Cb -0.23 -3.10 -0.04 0.00 0.02 0.00 0.00 34.50 31.15 2aal s PRO 74 CO 0.61 -0.57 -0.21 1.03 -0.33 0.00 0.00 177.00 177.53 2aal s ARG 75 N 0.24 1.64 0.83 5.54 1.81 -1.26 -5.12 118.95 122.64 2aal s ARG 75 Ca 0.65 -1.38 -0.12 0.00 -1.72 0.00 0.00 55.73 53.17 2aal s ARG 75 Cb -0.45 -1.97 0.10 0.00 -0.45 0.00 0.00 34.95 32.19 2aal s ARG 75 CO 0.39 0.43 1.17 -1.54 -0.68 0.00 0.00 175.30 175.07 2aal s SER 76 N -2.48 3.50 0.24 0.23 1.04 -1.26 -4.82 113.70 110.15 2aal s SER 76 Ca 0.20 2.24 -0.06 0.00 0.48 0.00 0.00 55.95 58.81 2aal s SER 76 Cb -0.09 -2.57 0.34 0.00 0.10 0.00 0.00 66.02 63.80 2aal s SER 76 CO 0.10 -2.72 1.83 -0.08 0.98 0.00 0.00 173.24 173.34 2aal h GLU 77 N -1.22 0.82 -0.51 4.02 4.81 -2.00 -1.64 114.58 118.86 2aal h GLU 77 Ca -0.45 -0.05 0.05 0.00 -0.13 0.00 0.00 59.36 58.78 2aal h GLU 77 Cb 1.28 -0.18 -0.05 0.00 0.63 0.00 0.00 28.75 30.43 2aal h GLU 77 CO 0.45 0.54 0.24 0.93 -0.73 0.00 0.00 179.01 180.44 2aal h GLU 78 N 0.84 0.45 -0.35 1.92 3.07 -1.99 0.39 114.58 118.91 2aal h GLU 78 Ca 0.37 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 59.20 2aal h GLU 78 Cb 0.26 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 28.05 2aal h GLU 78 CO -0.21 0.30 0.20 1.96 -1.40 0.00 0.00 179.01 179.86 2aal h GLN 79 N 0.47 0.48 -0.07 2.33 4.20 -1.75 -1.23 115.11 119.53 2aal h GLN 79 Ca 0.23 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.89 2aal h GLN 79 Cb 0.16 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 27.84 2aal h GLN 79 CO -0.18 0.39 0.05 0.87 -0.67 0.00 0.00 178.83 179.29 2aal h LYS 80 N 0.44 0.10 -0.86 1.46 1.57 -1.06 0.11 116.57 118.33 2aal h LYS 80 Ca 0.12 -0.01 0.10 0.00 -1.87 0.00 0.00 60.65 59.00 2aal h LYS 80 Cb 0.04 -0.02 -0.08 0.00 0.08 0.00 0.00 32.23 32.26 2aal h LYS 80 CO -0.02 0.07 0.49 0.28 -0.57 0.00 0.00 179.45 179.70 2aal h VAL 81 N 0.10 0.89 0.16 0.50 2.07 -0.84 -1.42 116.25 117.72 2aal h VAL 81 Ca 0.03 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 2aal h VAL 81 Cb -0.01 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 29.77 2aal h VAL 81 CO -0.01 0.15 -0.09 0.00 0.02 0.00 0.00 177.57 177.64 2aal h PHE 83 N -0.23 0.00 -0.70 0.00 3.57 0.22 0.65 116.94 120.45 2aal h PHE 83 Ca -0.02 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.54 2aal h PHE 83 Cb 0.18 0.06 -0.04 0.00 2.79 0.00 0.00 35.95 38.94 2aal h PHE 83 CO -0.07 -0.06 0.43 1.88 -2.23 0.00 0.00 178.31 178.26 2aal h TYR 84 N 0.12 0.81 -0.21 0.41 0.05 -1.18 0.44 116.97 117.41 2aal h TYR 84 Ca 0.19 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.99 2aal h TYR 84 Cb 0.26 -0.26 -0.01 0.00 1.01 0.00 0.00 36.73 37.73 2aal h TYR 84 CO -0.25 0.45 0.11 0.87 -1.05 0.00 0.00 178.16 178.29 2aal h LYS 85 N 0.84 0.29 -0.45 4.88 1.57 -1.16 -2.41 116.57 120.14 2aal h LYS 85 Ca 0.28 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.97 2aal h LYS 85 Cb 0.04 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 2aal h LYS 85 CO -0.11 0.29 0.06 -0.07 -0.57 0.00 0.00 179.45 179.05 2aal h LEU 86 N 0.21 0.65 0.02 2.94 3.38 -0.40 -1.10 115.31 121.01 2aal h LEU 86 Ca 0.07 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 2aal h LEU 86 Cb 0.09 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.67 2aal h LEU 86 CO -0.01 0.68 -0.01 0.25 0.09 0.00 0.00 178.44 179.44 2aal h LEU 87 N 0.67 -0.02 -0.89 1.67 5.85 0.06 -0.98 115.31 121.66 2aal h LEU 87 Ca 0.14 -0.33 -0.12 0.00 0.84 0.00 0.00 57.88 58.42 2aal h LEU 87 Cb 0.32 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 2aal h LEU 87 CO 0.01 0.32 -0.55 0.71 -0.34 0.00 0.00 178.44 178.58 2aal h THR 88 N -0.37 1.39 -0.16 1.05 1.35 -1.39 0.38 112.91 115.17 2aal h THR 88 Ca -0.00 -1.90 0.00 0.00 -0.55 0.00 0.00 66.41 63.96 2aal h THR 88 Cb 0.35 2.03 -0.01 0.00 -1.73 0.00 0.00 68.15 68.79 2aal h THR 88 CO 0.00 0.54 0.10 1.23 -0.25 0.00 0.00 175.52 177.14 2aal h GLY 89 N 1.68 0.22 1.10 5.82 0.00 -1.00 -1.61 103.07 109.27 2aal h GLY 89 Ca -0.01 -0.09 -0.11 0.00 0.00 0.00 0.00 47.33 47.12 2aal h GLY 89 CO 0.07 0.09 -0.11 0.00 0.00 0.00 0.00 176.54 176.59 2aal h ALA 90 N 1.04 0.75 -0.10 3.60 0.00 -0.98 -1.55 119.26 122.03 2aal h ALA 90 Ca 0.06 -0.35 -0.10 0.00 0.00 0.00 0.00 54.91 54.52 2aal h ALA 90 Cb 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2aal h ALA 90 CO -0.01 0.67 -0.37 -0.07 0.00 0.00 0.00 179.25 179.46 2aal h LEU 91 N 0.92 0.21 0.20 0.00 4.07 -0.82 0.96 115.31 120.85 2aal h LEU 91 Ca 0.14 -0.08 -0.01 0.00 0.08 0.00 0.00 57.88 58.01 2aal h LEU 91 Cb 0.68 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 42.36 2aal h LEU 91 CO 0.05 0.57 -0.10 -0.08 -1.08 0.00 0.00 178.44 177.80 2aal h GLU 92 N 0.17 -0.26 -0.30 1.13 4.57 -1.12 -1.42 114.58 117.35 2aal h GLU 92 Ca 0.02 0.02 -0.06 0.00 -1.18 0.00 0.00 59.36 58.15 2aal h GLU 92 Cb 0.75 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.39 2aal h GLU 92 CO 0.06 0.13 -0.06 0.00 -1.18 0.00 0.00 179.01 177.95 2aal h ARG 93 N -0.79 0.57 0.00 1.92 3.08 -1.14 0.18 114.38 118.21 2aal h ARG 93 Ca -0.03 -0.21 -0.05 0.00 0.07 0.00 0.00 59.98 59.76 2aal h ARG 93 Cb 0.51 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 2aal h ARG 93 CO 0.05 0.76 -1.05 -0.44 -1.07 0.00 0.00 179.97 178.22 2aal h ASP 94 N 0.34 0.00 0.00 7.04 3.32 -0.92 -3.39 116.42 122.82 2aal h ASP 94 Ca 0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.13 2aal h ASP 94 Cb 0.54 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.09 2aal h ASP 94 CO 0.03 0.19 0.00 0.00 -1.72 0.00 0.00 179.24 177.73 2aal n GLY 96 N 0.81 0.69 3.65 0.00 0.00 0.65 -4.97 105.19 106.01 2aal n GLY 96 Ca 0.00 -0.72 -0.38 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.27 5.21 0.38 -0.61 1.01 -0.92 -4.95 121.20 119.04 2aal s ILE 97 Ca 0.00 0.59 -0.28 0.00 0.00 0.00 0.00 60.65 60.96 2aal s ILE 97 Cb 0.00 -3.69 -0.11 0.00 0.01 0.00 0.00 42.46 38.67 2aal s ILE 97 CO 0.00 0.23 1.42 -0.24 0.00 0.00 0.00 174.94 176.36 2aal n SER 98 N 4.73 3.44 0.13 3.58 2.88 -1.26 -3.13 113.62 123.99 2aal n SER 98 Ca -0.09 1.21 0.19 0.00 -1.33 0.00 0.00 58.87 58.84 2aal n SER 98 Cb 0.51 -1.58 0.77 0.00 -0.75 0.00 0.00 64.21 63.16 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 2.76 0.00 0.00 -1.46 0.11 -1.97 0.19 132.00 131.63 2aal h PRO 99 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2aal h PRO 99 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2aal h PRO 99 CO 0.63 0.00 0.00 -0.44 -0.21 0.00 0.00 178.00 177.98 2aal h ASP 100 N 0.00 0.00 -0.45 -2.05 5.19 -1.90 -2.72 116.42 114.49 2aal h ASP 100 Ca 0.15 0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 56.48 2aal h ASP 100 Cb 0.77 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.23 2aal h ASP 100 CO -0.00 0.00 0.06 0.47 -3.12 0.00 0.00 179.24 176.65 2aal n ASP 101 N -2.34 4.32 -4.08 6.45 8.00 0.68 -4.46 116.55 125.12 2aal n ASP 101 Ca -0.00 -3.15 -0.28 0.00 0.71 0.00 0.00 54.79 52.07 2aal n ASP 101 Cb 0.12 -0.63 -0.17 0.00 -0.02 0.00 0.00 41.12 40.42 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 -2.91 1.52 -0.02 2.53 1.01 -1.03 -0.36 120.40 121.14 2aal s VAL 102 Ca 0.48 -0.67 0.03 0.00 0.00 0.00 0.00 61.98 61.82 2aal s VAL 102 Cb 0.39 -1.37 -0.00 0.00 0.00 0.00 0.00 36.38 35.39 2aal s VAL 102 CO 0.10 0.44 -0.12 -0.63 0.00 0.00 0.00 175.10 174.90 2aal s ILE 103 N 0.83 0.96 -0.04 2.22 1.01 -0.54 -4.99 121.20 120.65 2aal s ILE 103 Ca -0.10 -0.48 0.02 0.00 0.00 0.00 0.00 60.65 60.09 2aal s ILE 103 Cb -0.16 -0.83 0.01 0.00 0.01 0.00 0.00 42.46 41.50 2aal s ILE 103 CO 0.01 0.28 -0.08 -0.69 0.00 0.00 0.00 174.94 174.46 2aal s VAL 104 N -0.01 0.79 -0.09 2.92 1.01 -1.26 -0.39 120.40 123.37 2aal s VAL 104 Ca -0.00 -0.32 0.03 0.00 0.00 0.00 0.00 61.98 61.68 2aal s VAL 104 Cb -0.08 -0.73 0.01 0.00 0.00 0.00 0.00 36.38 35.58 2aal s VAL 104 CO 0.00 0.26 -0.18 0.00 0.00 0.00 0.00 175.10 175.19 2aal s ALA 105 N 0.49 1.73 -0.08 5.51 0.00 -0.48 -5.00 121.76 123.93 2aal s ALA 105 Ca -0.08 -0.72 0.00 0.00 0.00 0.00 0.00 51.96 51.17 2aal s ALA 105 Cb -0.12 -0.73 -0.03 0.00 0.00 0.00 0.00 23.12 22.24 2aal s ALA 105 CO 0.01 0.14 -0.07 -1.17 0.00 0.00 0.00 175.76 174.68 2aal s LEU 106 N 0.61 3.18 0.03 0.00 0.20 -1.26 -0.85 118.68 120.58 2aal s LEU 106 Ca -0.14 -0.03 0.05 0.00 0.69 0.00 0.00 54.13 54.70 2aal s LEU 106 Cb -0.16 -1.70 -0.02 0.00 -0.43 0.00 0.00 46.19 43.88 2aal s LEU 106 CO 0.05 0.35 -0.15 -0.69 -0.29 0.00 0.00 176.35 175.61 2aal s VAL 107 N -0.71 1.19 0.08 1.68 1.01 0.56 -4.96 120.40 119.25 2aal s VAL 107 Ca 0.11 -0.92 0.05 0.00 0.00 0.00 0.00 61.98 61.21 2aal s VAL 107 Cb -0.11 -1.05 -0.04 0.00 0.00 0.00 0.00 36.38 35.18 2aal s VAL 107 CO 0.02 0.11 -0.02 -1.61 0.00 0.00 0.00 175.10 173.60 2aal s GLU 108 N -0.93 2.51 0.00 2.72 2.02 -1.26 -1.84 118.70 121.91 2aal s GLU 108 Ca 0.03 -0.84 0.00 0.00 0.02 0.00 0.00 54.97 54.19 2aal s GLU 108 Cb -0.07 -2.52 0.00 0.00 0.10 0.00 0.00 34.13 31.64 2aal s GLU 108 CO 0.01 0.55 0.00 0.27 0.02 0.00 0.00 175.26 176.11 2aal n ASN 109 N 0.73 0.48 -3.63 -0.19 0.23 -0.02 -4.89 115.26 107.97 2aal n ASN 109 Ca -0.12 0.00 -0.23 0.00 -0.53 0.00 0.00 54.58 53.70 2aal n ASN 109 Cb 0.52 0.00 -0.07 0.00 -2.08 0.00 0.00 39.78 38.15 2aal n ASN 109 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 2aal n SER 110 N 0.00 1.02 -0.03 0.53 3.41 -1.26 -3.81 113.62 113.48 2aal n SER 110 Ca 0.00 -3.01 0.08 0.00 -0.26 0.00 0.00 58.87 55.68 2aal n SER 110 Cb 0.00 1.01 0.46 0.00 -0.26 0.00 0.00 64.21 65.43 2aal n SER 110 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2aal h ASP 111 N 1.54 0.41 0.35 4.04 3.32 -1.99 -1.80 116.42 122.30 2aal h ASP 111 Ca -0.29 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.76 2aal h ASP 111 Cb 1.12 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.58 2aal h ASP 111 CO 0.45 0.28 0.00 0.00 -1.72 0.00 0.00 179.24 178.25 2aal n ALA 112 N -2.50 2.25 -0.86 3.45 0.00 -1.26 -3.99 120.51 117.61 2aal n ALA 112 Ca 0.06 -0.12 0.08 0.00 0.00 0.00 0.00 53.44 53.46 2aal n ALA 112 Cb 0.21 -1.39 0.32 0.00 0.00 0.00 0.00 19.45 18.59 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 -1.23 4.59 -3.98 0.00 8.00 -0.68 -4.92 116.55 118.34 2aal n ASP 113 Ca 0.13 -2.84 -0.15 0.00 0.71 0.00 0.00 54.79 52.64 2aal n ASP 113 Cb 0.17 -0.58 -0.14 0.00 -0.02 0.00 0.00 41.12 40.55 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 -2.54 0.52 -0.19 1.24 0.52 -1.26 -4.93 118.94 112.30 2aal s TRP 114 Ca 0.46 -0.16 -0.04 0.00 0.02 0.00 0.00 56.10 56.38 2aal s TRP 114 Cb 0.35 -0.33 0.06 0.00 -1.15 0.00 0.00 33.47 32.41 2aal s TRP 114 CO 0.14 -0.02 0.06 0.45 0.02 0.00 0.00 176.95 177.59 2aal s SER 115 N -0.39 2.75 0.29 2.95 0.15 -1.26 -4.09 113.70 114.11 2aal s SER 115 Ca -0.00 -0.77 0.22 0.00 0.70 0.00 0.00 55.95 56.09 2aal s SER 115 Cb -0.03 -0.48 0.13 0.00 -1.71 0.00 0.00 66.02 63.92 2aal s SER 115 CO -0.00 -0.32 1.28 -0.26 1.20 0.00 0.00 173.24 175.13 2aal h PHE 116 N 8.30 0.00 0.00 3.44 0.04 -1.99 -3.48 116.94 123.25 2aal h PHE 116 Ca -0.16 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.61 2aal h PHE 116 Cb 1.13 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.28 2aal h PHE 116 CO 0.24 0.07 0.00 0.41 -0.60 0.00 0.00 178.31 178.43 2aal n GLY 117 N 1.16 0.60 2.16 -1.45 0.00 -1.26 -5.00 105.19 101.40 2aal n GLY 117 Ca 0.01 -0.88 -0.14 0.00 0.00 0.00 0.00 46.02 45.02 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 -0.18 -1.56 -1.14 1.61 1.74 -1.26 -2.30 116.66 113.57 2aal n ARG 118 Ca 0.00 0.76 -0.05 0.00 -0.77 0.00 0.00 57.85 57.79 2aal n ARG 118 Cb 0.00 -5.12 -0.02 0.00 -1.02 0.00 0.00 32.46 26.30 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 -0.43 0.70 3.88 -0.13 0.00 -1.26 -4.99 105.19 102.96 2aal n GLY 119 Ca -0.14 -0.27 -0.35 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.89 3.58 -0.77 1.61 0.52 -0.97 -5.05 118.95 115.97 2aal s ARG 120 Ca 0.00 -0.07 -0.19 0.00 -0.52 0.00 0.00 55.73 54.95 2aal s ARG 120 Cb 0.00 -3.09 0.13 0.00 0.52 0.00 0.00 34.95 32.50 2aal s ARG 120 CO 0.00 0.66 0.92 0.00 0.02 0.00 0.00 175.30 176.90 2aal s ALA 121 N -1.27 3.45 0.32 2.13 0.00 -1.26 -4.10 121.76 121.01 2aal s ALA 121 Ca 0.26 -2.54 0.03 0.00 0.00 0.00 0.00 51.96 49.72 2aal s ALA 121 Cb -0.13 -3.79 0.53 0.00 0.00 0.00 0.00 23.12 19.73 2aal s ALA 121 CO 0.15 -2.66 1.82 0.93 0.00 0.00 0.00 175.76 176.00 2aal h GLU 122 N 8.90 0.53 0.00 0.00 3.07 -1.90 -0.48 114.58 124.70 2aal h GLU 122 Ca -0.06 -0.14 -0.04 0.00 -0.50 0.00 0.00 59.36 58.63 2aal h GLU 122 Cb 1.05 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.89 2aal h GLU 122 CO 1.07 0.61 -0.20 0.74 -1.40 0.00 0.00 179.01 179.82 2aal h PHE 123 N 0.49 0.00 0.10 4.33 0.04 -1.79 -1.25 116.94 118.87 2aal h PHE 123 Ca 0.10 0.00 -0.29 0.00 2.80 0.00 0.00 57.97 60.58 2aal h PHE 123 Cb 0.43 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.57 2aal h PHE 123 CO 0.02 0.20 -1.41 -0.07 -0.60 0.00 0.00 178.31 176.44 2aal h LEU 124 N 0.00 0.33 0.00 1.54 3.38 -1.34 -3.34 115.31 115.87 2aal h LEU 124 Ca -0.00 -0.42 -0.04 0.00 0.09 0.00 0.00 57.88 57.50 2aal h LEU 124 Cb 0.50 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 2aal h LEU 124 CO 0.03 1.35 -0.28 0.71 0.09 0.00 0.00 178.44 180.33 2aal h THR 125 N 0.06 0.32 0.00 0.22 1.35 -1.08 -3.47 112.91 110.30 2aal h THR 125 Ca -0.19 -1.46 0.00 0.00 -0.55 0.00 0.00 66.41 64.21 2aal h THR 125 Cb 1.98 2.12 0.00 0.00 -1.73 0.00 0.00 68.15 70.52 2aal h THR 125 CO 0.16 0.18 0.00 0.61 -0.25 0.00 0.00 175.52 176.22 2aal n GLY 126 N 1.16 0.75 0.24 5.82 0.00 -0.53 -4.95 105.19 107.67 2aal n GLY 126 Ca 0.03 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.13 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 0.00 -4.35 1.61 3.32 -1.74 -3.42 116.42 111.84 2aal h ASP 127 Ca 0.00 0.00 -0.47 0.00 0.02 0.00 0.00 57.03 56.58 2aal h ASP 127 Cb 0.00 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 39.32 2aal h ASP 127 CO 0.00 0.19 -0.80 -0.76 -1.72 0.00 0.00 179.24 176.15 2aal s LEU 128 N -7.81 2.25 0.00 1.55 1.43 -1.08 -5.02 118.68 110.01 2aal s LEU 128 Ca -0.03 -0.59 0.28 0.00 -1.03 0.00 0.00 54.13 52.76 2aal s LEU 128 Cb 0.14 -0.66 1.13 0.00 0.03 0.00 0.00 46.19 46.83 2aal s LEU 128 CO 0.64 -0.00 1.79 0.52 0.23 0.00 0.00 176.35 179.53