#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 2.37 -0.19 1.53 2.96 -0.04 -4.27 118.68 121.04 2aal s LEU 2 Ca 0.00 -0.49 -0.04 0.00 -0.22 0.00 0.00 54.13 53.38 2aal s LEU 2 Cb 0.00 -1.52 -0.02 0.00 0.50 0.00 0.00 46.19 45.15 2aal s LEU 2 CO 0.00 0.11 -0.04 -0.76 -1.32 0.00 0.00 176.35 174.35 2aal s LEU 3 N 0.63 3.07 -0.19 -0.68 1.02 -0.51 -0.98 118.68 121.04 2aal s LEU 3 Ca -0.10 -0.27 0.01 0.00 0.02 0.00 0.00 54.13 53.80 2aal s LEU 3 Cb -0.16 -1.76 0.03 0.00 0.02 0.00 0.00 46.19 44.32 2aal s LEU 3 CO 0.03 0.07 -0.16 -0.54 0.02 0.00 0.00 176.35 175.76 2aal s LYS 4 N 0.98 2.63 -0.12 1.70 1.02 0.26 -2.95 119.74 123.26 2aal s LYS 4 Ca 0.00 -0.86 -0.06 0.00 0.02 0.00 0.00 55.97 55.08 2aal s LYS 4 Cb -0.15 -2.51 -0.04 0.00 -0.52 0.00 0.00 37.83 34.61 2aal s LYS 4 CO 0.01 -0.30 0.10 -0.06 -0.92 0.00 0.00 175.35 174.18 2aal s PHE 5 N 1.31 3.45 -0.24 3.18 0.40 0.54 -0.70 117.98 125.92 2aal s PHE 5 Ca 0.02 0.40 -0.02 0.00 -0.60 0.00 0.00 56.93 56.72 2aal s PHE 5 Cb -0.14 -1.92 0.02 0.00 0.51 0.00 0.00 43.02 41.48 2aal s PHE 5 CO -0.11 0.60 -0.05 -0.51 0.70 0.00 0.00 175.22 175.85 2aal s ASP 6 N -0.81 4.30 0.23 1.36 1.01 0.13 -0.76 116.67 122.14 2aal s ASP 6 Ca 0.13 -0.73 0.03 0.00 0.71 0.00 0.00 52.55 52.70 2aal s ASP 6 Cb -0.12 -1.69 -0.05 0.00 1.01 0.00 0.00 42.92 42.07 2aal s ASP 6 CO 0.03 -0.10 0.01 -1.48 0.21 0.00 0.00 175.17 173.84 2aal s LEU 7 N 1.38 2.12 0.26 1.23 2.34 -1.00 -1.35 118.68 123.66 2aal s LEU 7 Ca 0.02 -1.24 -0.15 0.00 0.06 0.00 0.00 54.13 52.82 2aal s LEU 7 Cb -0.16 -0.22 -0.08 0.00 -0.56 0.00 0.00 46.19 45.17 2aal s LEU 7 CO -0.04 -0.55 0.67 -0.36 -1.06 0.00 0.00 176.35 175.01 2aal s PHE 8 N -3.48 3.47 0.77 3.48 0.08 -1.26 -0.00 117.98 121.04 2aal s PHE 8 Ca 0.29 1.17 -0.15 0.00 0.12 0.00 0.00 56.93 58.36 2aal s PHE 8 Cb 0.06 -2.48 -0.02 0.00 -0.57 0.00 0.00 43.02 40.01 2aal s PHE 8 CO 0.09 0.22 0.51 0.66 -0.10 0.00 0.00 175.22 176.61 2aal n TYR 9 N 0.06 -0.90 0.00 0.36 4.01 -0.66 -4.49 117.16 115.54 2aal n TYR 9 Ca 0.01 0.32 0.00 0.00 -0.16 0.00 0.00 57.90 58.07 2aal n TYR 9 Cb 0.52 -1.89 0.00 0.00 -0.31 0.00 0.00 39.34 37.66 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 1.60 1.27 3.78 2.72 0.00 -1.26 -4.99 105.19 108.31 2aal n GLY 10 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 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 4.50 0.88 1.61 0.52 -1.26 -5.04 118.95 120.16 2aal s ARG 11 Ca 0.00 1.39 -0.11 0.00 -0.52 0.00 0.00 55.73 56.49 2aal s ARG 11 Cb 0.00 -2.77 0.12 0.00 0.52 0.00 0.00 34.95 32.82 2aal s ARG 11 CO 0.00 0.19 1.10 0.95 0.02 0.00 0.00 175.30 177.56 2aal s THR 12 N -1.60 2.71 0.29 0.02 -4.23 -1.26 -4.81 115.64 106.74 2aal s THR 12 Ca 0.51 0.23 0.03 0.00 -1.18 0.00 0.00 61.69 61.28 2aal s THR 12 Cb -0.20 -2.58 0.28 0.00 1.34 0.00 0.00 72.50 71.34 2aal s THR 12 CO 0.25 -0.30 1.79 0.44 -0.54 0.00 0.00 174.62 176.27 2aal h ASP 13 N -1.57 0.77 0.22 3.99 3.32 -1.99 0.13 116.42 121.29 2aal h ASP 13 Ca -0.47 0.08 -0.13 0.00 0.02 0.00 0.00 57.03 56.53 2aal h ASP 13 Cb 1.27 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.74 2aal h ASP 13 CO 0.50 0.33 -0.48 0.00 -1.72 0.00 0.00 179.24 177.87 2aal h ALA 14 N 1.59 0.96 -0.51 3.45 0.00 -1.99 0.22 119.26 122.98 2aal h ALA 14 Ca 0.52 -0.47 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 2aal h ALA 14 Cb 0.71 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 2aal h ALA 14 CO -0.34 0.65 -0.14 1.96 0.00 0.00 0.00 179.25 181.38 2aal h GLN 15 N 0.24 0.97 -0.26 0.00 4.20 -1.74 0.24 115.11 118.77 2aal h GLN 15 Ca 0.01 -0.37 -0.03 0.00 0.06 0.00 0.00 58.65 58.33 2aal h GLN 15 Cb 0.94 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.65 2aal h GLN 15 CO 0.08 1.04 0.06 0.82 -0.67 0.00 0.00 178.83 180.15 2aal h ILE 16 N 0.86 1.22 -0.28 2.54 2.04 -0.68 -1.94 117.51 121.27 2aal h ILE 16 Ca 0.13 -0.72 0.06 0.00 1.00 0.00 0.00 64.86 65.33 2aal h ILE 16 Cb 0.70 1.20 -0.06 0.00 -0.74 0.00 0.00 36.82 37.92 2aal h ILE 16 CO 0.05 0.23 -0.13 0.50 0.00 0.00 0.00 178.15 178.81 2aal h LYS 17 N 0.24 -0.08 -0.95 2.37 3.64 -0.74 -1.95 116.57 119.10 2aal h LYS 17 Ca 0.08 0.01 0.19 0.00 -1.27 0.00 0.00 60.65 59.65 2aal h LYS 17 Cb 0.30 0.02 -0.11 0.00 -0.41 0.00 0.00 32.23 32.03 2aal h LYS 17 CO 0.00 -0.05 0.54 1.03 -2.27 0.00 0.00 179.45 178.70 2aal h SER 18 N -0.09 0.66 0.14 4.20 0.87 -0.41 0.92 113.55 119.85 2aal h SER 18 Ca 0.14 0.10 -0.01 0.00 -1.23 0.00 0.00 61.79 60.80 2aal h SER 18 Cb 0.30 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.26 2aal h SER 18 CO -0.33 0.22 -0.07 0.25 -0.53 0.00 0.00 176.83 176.37 2aal h LEU 19 N 0.68 -0.16 -0.56 2.23 6.46 -0.63 -0.89 115.31 122.43 2aal h LEU 19 Ca 0.55 -0.22 -0.04 0.00 -0.12 0.00 0.00 57.88 58.04 2aal h LEU 19 Cb 0.87 0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 40.82 2aal h LEU 19 CO -0.40 0.14 0.18 -0.07 -0.62 0.00 0.00 178.44 177.67 2aal h LEU 20 N -0.48 0.82 -0.45 2.25 3.38 -0.71 -0.90 115.31 119.22 2aal h LEU 20 Ca -0.02 -0.21 -0.13 0.00 0.09 0.00 0.00 57.88 57.62 2aal h LEU 20 Cb 0.38 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 2aal h LEU 20 CO 0.03 0.80 -0.21 0.44 0.09 0.00 0.00 178.44 179.60 2aal h ASP 21 N 0.78 0.96 -0.25 -0.43 3.32 -0.81 -0.11 116.42 119.89 2aal h ASP 21 Ca 0.18 -0.40 0.04 0.00 0.02 0.00 0.00 57.03 56.87 2aal h ASP 21 Cb 0.28 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.53 2aal h ASP 21 CO -0.01 1.15 0.01 0.00 -1.72 0.00 0.00 179.24 178.67 2aal h ALA 22 N 0.84 0.23 -0.69 3.45 0.00 -0.94 -2.08 119.26 120.06 2aal h ALA 22 Ca 0.10 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 2aal h ALA 22 Cb 0.78 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 2aal h ALA 22 CO 0.06 -0.41 0.16 0.00 0.00 0.00 0.00 179.25 179.06 2aal h ALA 23 N 1.20 0.92 -0.37 0.00 0.00 -1.00 -2.54 119.26 117.48 2aal h ALA 23 Ca 0.12 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 2aal h ALA 23 Cb 0.14 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2aal h ALA 23 CO -0.19 0.65 0.13 1.25 0.00 0.00 0.00 179.25 181.09 2aal h HIS 24 N 1.05 0.58 -0.52 0.00 6.17 -0.85 -0.32 115.15 121.27 2aal h HIS 24 Ca 0.22 -0.05 0.02 0.00 0.71 0.00 0.00 60.37 61.26 2aal h HIS 24 Cb 0.39 -0.17 -0.03 0.00 2.52 0.00 0.00 27.41 30.12 2aal h HIS 24 CO 0.03 0.54 0.32 0.78 0.71 0.00 0.00 177.93 180.32 2aal h GLY 25 N 0.45 0.73 0.96 5.26 0.00 -1.25 0.06 103.07 109.28 2aal h GLY 25 Ca 0.12 -0.25 -0.01 0.00 0.00 0.00 0.00 47.33 47.19 2aal h GLY 25 CO -0.01 0.22 0.17 0.00 0.00 0.00 0.00 176.54 176.93 2aal h ALA 26 N 1.21 0.42 0.02 3.60 0.00 -1.19 -1.38 119.26 121.94 2aal h ALA 26 Ca 0.20 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 2aal h ALA 26 Cb -0.02 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 2aal h ALA 26 CO -0.07 -0.04 -0.01 1.98 0.00 0.00 0.00 179.25 181.10 2aal h MET 27 N 0.40 -0.03 -0.73 0.00 -1.53 -0.49 -1.17 114.93 111.38 2aal h MET 27 Ca 0.11 0.00 0.04 0.00 -3.44 0.00 0.00 59.70 56.42 2aal h MET 27 Cb 0.07 0.01 -0.05 0.00 -0.55 0.00 0.00 31.60 31.08 2aal h MET 27 CO -0.02 -0.02 0.45 0.28 0.14 0.00 0.00 176.91 177.74 2aal h VAL 28 N -0.03 1.07 -0.50 -5.77 2.07 -0.81 0.11 116.25 112.40 2aal h VAL 28 Ca -0.00 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 67.22 2aal h VAL 28 Cb 0.03 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 29.91 2aal h VAL 28 CO 0.00 0.16 0.31 -0.78 0.02 0.00 0.00 177.57 177.28 2aal h ASP 29 N 0.86 0.59 -0.02 0.57 1.82 -1.07 0.16 116.42 119.32 2aal h ASP 29 Ca 0.30 -0.04 -0.24 0.00 -0.39 0.00 0.00 57.03 56.66 2aal h ASP 29 Cb 0.07 -0.15 0.02 0.00 0.68 0.00 0.00 39.33 39.95 2aal h ASP 29 CO -0.13 0.46 -0.90 0.00 -1.61 0.00 0.00 179.24 177.05 2aal h ALA 30 N 1.16 0.14 0.00 -0.78 0.00 -0.99 -3.37 119.26 115.42 2aal h ALA 30 Ca 0.18 -0.65 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 2aal h ALA 30 Cb -0.03 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 2aal h ALA 30 CO -0.04 0.61 -1.38 1.19 0.00 0.00 0.00 179.25 179.63 2aal n PHE 31 N -3.95 0.61 -1.34 0.00 3.72 0.38 -4.79 117.46 112.08 2aal n PHE 31 Ca -0.10 0.18 -0.05 0.00 -0.05 0.00 0.00 57.45 57.42 2aal n PHE 31 Cb 0.81 -0.79 -0.02 0.00 -0.94 0.00 0.00 39.48 38.54 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 1.21 0.65 3.94 1.37 0.00 0.55 -5.03 105.19 107.88 2aal n GLY 32 Ca -0.02 -0.80 -0.25 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.21 3.32 0.56 1.61 -7.23 -1.25 -5.06 120.40 110.15 2aal s VAL 33 Ca 0.00 -0.25 -0.21 0.00 -1.81 0.00 0.00 61.98 59.71 2aal s VAL 33 Cb 0.00 -3.31 -0.05 0.00 0.56 0.00 0.00 36.38 33.58 2aal s VAL 33 CO 0.00 -0.28 1.17 -2.65 -0.31 0.00 0.00 175.10 173.03 2aal n PRO 34 N -2.51 1.32 0.31 4.82 -0.02 -1.26 -4.88 135.00 132.78 2aal n PRO 34 Ca 0.05 0.49 0.19 0.00 -2.02 0.00 0.00 63.50 62.21 2aal n PRO 34 Cb 0.58 -2.36 0.99 0.00 -0.02 0.00 0.00 33.50 32.69 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 1.03 1.12 -0.69 3.55 0.00 -1.97 -1.80 119.26 120.50 2aal h ALA 35 Ca -0.49 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.40 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 0.03 0.00 0.27 0.00 0.00 0.00 179.25 180.09 2aal n ASN 36 N -3.29 4.52 -3.78 0.00 0.23 -1.26 -4.59 115.26 107.09 2aal n ASN 36 Ca -0.02 -2.28 -0.42 0.00 -0.53 0.00 0.00 54.58 51.33 2aal n ASN 36 Cb 0.15 -0.55 -0.01 0.00 -2.08 0.00 0.00 39.78 37.29 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 1.36 3.81 -4.00 0.53 2.03 -0.68 -4.91 116.55 114.69 2aal n ASP 37 Ca 0.26 -2.83 -0.31 0.00 0.52 0.00 0.00 54.79 52.43 2aal n ASP 37 Cb 0.80 -1.62 -0.15 0.00 -0.72 0.00 0.00 41.12 39.43 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 3.46 1.96 -0.17 -0.67 3.52 -1.26 -4.75 118.95 121.03 2aal s ARG 38 Ca 0.49 -1.07 -0.05 0.00 -0.13 0.00 0.00 55.73 54.97 2aal s ARG 38 Cb 0.13 -2.65 0.06 0.00 -1.56 0.00 0.00 34.95 30.94 2aal s ARG 38 CO -0.06 -0.54 0.08 0.71 -0.81 0.00 0.00 175.30 174.69 2aal s TYR 39 N 1.30 0.31 -0.04 5.12 2.02 -1.26 -5.12 117.35 119.68 2aal s TYR 39 Ca -0.06 -0.39 -0.06 0.00 -0.37 0.00 0.00 57.07 56.20 2aal s TYR 39 Cb -0.18 -0.74 0.01 0.00 -0.40 0.00 0.00 41.96 40.65 2aal s TYR 39 CO -0.06 -0.52 0.15 -0.65 -1.57 0.00 0.00 175.55 172.89 2aal s GLN 40 N 2.10 0.30 0.13 -0.62 -0.21 -1.26 -1.42 119.66 118.67 2aal s GLN 40 Ca 0.02 -0.01 0.05 0.00 0.02 0.00 0.00 55.36 55.43 2aal s GLN 40 Cb -0.16 0.13 -0.04 0.00 1.00 0.00 0.00 33.01 33.94 2aal s GLN 40 CO -0.09 -0.06 -0.11 0.95 -2.12 0.00 0.00 175.29 173.86 2aal s THR 41 N -0.47 1.16 -0.06 -0.19 -4.23 -1.15 -4.97 115.64 105.74 2aal s THR 41 Ca -0.06 -1.87 0.01 0.00 -1.18 0.00 0.00 61.69 58.60 2aal s THR 41 Cb -0.04 -1.64 0.02 0.00 1.34 0.00 0.00 72.50 72.18 2aal s THR 41 CO 0.01 -0.61 -0.06 -0.69 -0.54 0.00 0.00 174.62 172.72 2aal s VAL 42 N -2.79 0.73 -0.16 2.29 1.01 -1.26 -0.34 120.40 119.87 2aal s VAL 42 Ca 0.12 -0.21 0.01 0.00 0.00 0.00 0.00 61.98 61.89 2aal s VAL 42 Cb -0.01 -0.73 0.01 0.00 0.00 0.00 0.00 36.38 35.65 2aal s VAL 42 CO 0.01 0.28 -0.17 -0.44 0.00 0.00 0.00 175.10 174.78 2aal s SER 43 N 1.01 3.46 0.01 3.32 0.01 0.06 -4.96 113.70 116.61 2aal s SER 43 Ca -0.09 -0.54 -0.14 0.00 1.31 0.00 0.00 55.95 56.49 2aal s SER 43 Cb -0.14 -1.53 -0.06 0.00 0.21 0.00 0.00 66.02 64.50 2aal s SER 43 CO -0.00 0.05 0.40 -1.10 0.41 0.00 0.00 173.24 173.00 2aal s GLN 44 N 1.00 3.89 0.07 12.44 -0.21 -1.26 -2.38 119.66 133.20 2aal s GLN 44 Ca -0.02 0.37 0.09 0.00 0.02 0.00 0.00 55.36 55.83 2aal s GLN 44 Cb -0.15 -3.19 -0.03 0.00 1.00 0.00 0.00 33.01 30.64 2aal s GLN 44 CO -0.04 0.68 -0.26 -1.01 -2.12 0.00 0.00 175.29 172.54 2aal s HIS 45 N -1.12 2.24 0.71 0.91 3.76 1.00 -4.80 115.29 117.99 2aal s HIS 45 Ca 0.25 -0.40 -0.11 0.00 -0.15 0.00 0.00 55.06 54.64 2aal s HIS 45 Cb -0.16 -1.31 0.01 0.00 1.11 0.00 0.00 32.58 32.23 2aal s HIS 45 CO 0.14 0.18 1.07 1.03 -0.85 0.00 0.00 174.74 176.31 2aal s ARG 46 N -1.46 2.85 0.49 1.40 0.52 -1.26 -1.65 118.95 119.85 2aal s ARG 46 Ca 0.12 0.70 -0.23 0.00 -0.52 0.00 0.00 55.73 55.79 2aal s ARG 46 Cb -0.10 -2.00 -0.07 0.00 0.52 0.00 0.00 34.95 33.30 2aal s ARG 46 CO 0.03 -1.09 1.24 -2.30 0.02 0.00 0.00 175.30 173.20 2aal n PRO 47 N -3.09 1.67 0.00 3.54 -0.02 -1.26 -1.59 135.00 134.25 2aal n PRO 47 Ca 0.07 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 2aal n PRO 47 Cb 0.55 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 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 0.88 3.02 0.04 -1.23 0.00 -1.26 -4.85 105.19 101.79 2aal n GLY 48 Ca 0.09 -0.87 0.15 0.00 0.00 0.00 0.00 46.02 45.38 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 0.52 -3.99 1.61 1.02 -0.62 -4.64 120.64 114.53 2aal n GLU 49 Ca 0.00 -0.08 -0.14 0.00 -0.02 0.00 0.00 57.16 56.93 2aal n GLU 49 Cb 0.00 -1.50 -0.14 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 -2.54 0.18 -0.13 3.49 -1.94 -1.26 -5.00 119.30 112.10 2aal s MET 50 Ca 0.29 -0.08 -0.00 0.00 -1.71 0.00 0.00 55.69 54.18 2aal s MET 50 Cb 0.20 -0.17 0.03 0.00 2.01 0.00 0.00 34.83 36.90 2aal s MET 50 CO 0.47 0.05 -0.08 0.08 -0.01 0.00 0.00 175.02 175.53 2aal s VAL 51 N -0.06 1.09 -0.29 -6.03 1.01 -1.26 -5.08 120.40 109.78 2aal s VAL 51 Ca 0.01 -0.39 -0.03 0.00 0.00 0.00 0.00 61.98 61.56 2aal s VAL 51 Cb -0.01 -1.13 0.10 0.00 0.00 0.00 0.00 36.38 35.34 2aal s VAL 51 CO -0.00 0.33 0.12 -0.76 0.00 0.00 0.00 175.10 174.79 2aal s LEU 52 N 1.67 0.83 0.00 3.92 1.43 -1.26 -5.12 118.68 120.15 2aal s LEU 52 Ca 0.04 -1.35 0.00 0.00 -1.03 0.00 0.00 54.13 51.79 2aal s LEU 52 Cb -0.13 -0.44 0.00 0.00 0.03 0.00 0.00 46.19 45.65 2aal s LEU 52 CO -0.08 -0.44 0.00 -0.62 0.23 0.00 0.00 176.35 175.44 2aal n GLU 53 N 5.18 3.43 -0.15 1.70 1.02 -1.26 -4.95 120.64 125.61 2aal n GLU 53 Ca -0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.09 2aal n GLU 53 Cb 0.42 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.84 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 -2.92 1.62 5.75 -1.26 -5.00 116.55 114.74 2aal n ASP 54 Ca 0.00 -1.30 -0.18 0.00 -0.01 0.00 0.00 54.79 53.30 2aal n ASP 54 Cb 0.00 -0.06 -0.00 0.00 -1.03 0.00 0.00 41.12 40.03 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 -0.88 -1.21 2.12 -1.04 -1.26 -1.42 114.28 110.60 2aal n THR 55 Ca 0.00 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 61.94 2aal n THR 55 Cb 0.56 -1.88 -0.03 0.00 -1.82 0.00 0.00 70.33 67.16 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 -1.02 0.88 0.09 3.41 0.00 -1.26 -4.91 105.19 102.37 2aal n GLY 56 Ca -0.08 -0.32 0.13 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.81 0.62 -0.16 0.99 4.77 -0.51 -4.93 117.00 116.97 2aal n LEU 57 Ca -0.07 0.58 0.00 0.00 -0.03 0.00 0.00 56.01 56.49 2aal n LEU 57 Cb 0.33 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 2aal n LEU 57 CO 0.11 -0.24 0.00 0.61 -1.33 0.00 0.00 177.39 176.54 2aal n GLY 58 N 0.99 0.92 3.68 -0.72 0.00 -1.26 -5.06 105.19 103.74 2aal n GLY 58 Ca 0.05 -0.55 -0.39 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.32 3.40 -0.76 1.61 2.02 -1.26 -5.03 117.35 115.01 2aal s TYR 59 Ca 0.00 0.75 -0.25 0.00 -0.37 0.00 0.00 57.07 57.20 2aal s TYR 59 Cb 0.00 -2.60 0.05 0.00 -0.40 0.00 0.00 41.96 39.01 2aal s TYR 59 CO 0.00 -0.02 1.20 0.20 -1.57 0.00 0.00 175.55 175.36 2aal s GLY 60 N 1.01 1.14 0.40 0.71 0.00 -1.26 -4.85 107.32 104.47 2aal s GLY 60 Ca 0.23 -1.71 -0.11 0.00 0.00 0.00 0.00 44.72 43.12 2aal s GLY 60 CO 0.09 2.44 0.78 0.50 0.00 0.00 0.00 173.10 176.91 2aal s ARG 61 N 4.95 3.82 0.32 2.90 1.81 -1.26 -4.57 118.95 126.92 2aal s ARG 61 Ca 0.32 0.52 0.05 0.00 -1.72 0.00 0.00 55.73 54.91 2aal s ARG 61 Cb -0.09 -2.38 -0.02 0.00 -0.45 0.00 0.00 34.95 32.01 2aal s ARG 61 CO 0.09 -0.02 0.17 -1.13 -0.68 0.00 0.00 175.30 173.73 2aal n SER 62 N -1.18 0.48 0.00 0.23 3.41 -1.26 -5.02 113.62 110.28 2aal n SER 62 Ca 0.03 -2.84 0.05 0.00 -0.26 0.00 0.00 58.87 55.85 2aal n SER 62 Cb 0.54 1.09 0.27 0.00 -0.26 0.00 0.00 64.21 65.84 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 -1.72 0.00 -0.23 4.04 3.41 -1.26 -1.84 113.62 116.01 2aal n SER 63 Ca -0.00 0.17 0.15 0.00 -0.26 0.00 0.00 58.87 58.93 2aal n SER 63 Cb 0.51 -0.31 0.69 0.00 -0.26 0.00 0.00 64.21 64.84 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 -1.31 2.67 -1.57 7.33 0.00 -1.26 -4.41 120.51 121.95 2aal n ALA 64 Ca 0.05 -0.32 -0.52 0.00 0.00 0.00 0.00 53.44 52.64 2aal n ALA 64 Cb 0.09 -1.32 -0.06 0.00 0.00 0.00 0.00 19.45 18.16 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 -0.49 0.19 -3.93 0.00 3.14 -0.77 -4.92 118.33 111.55 2aal n VAL 65 Ca 0.20 -0.05 -0.35 0.00 -2.96 0.00 0.00 64.34 61.18 2aal n VAL 65 Cb 0.25 -0.69 -0.14 0.00 -1.06 0.00 0.00 33.84 32.20 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 0.27 3.06 -0.21 1.55 1.01 0.87 -4.27 120.40 122.68 2aal s VAL 66 Ca 0.83 -0.91 -0.13 0.00 0.00 0.00 0.00 61.98 61.77 2aal s VAL 66 Cb -0.98 -2.53 -0.04 0.00 0.00 0.00 0.00 36.38 32.83 2aal s VAL 66 CO 0.49 0.22 0.28 -0.22 0.00 0.00 0.00 175.10 175.88 2aal s LEU 67 N 1.37 4.16 -0.16 3.92 2.96 -0.45 -1.02 118.68 129.44 2aal s LEU 67 Ca 0.01 0.36 0.01 0.00 -0.22 0.00 0.00 54.13 54.30 2aal s LEU 67 Cb -0.16 -2.33 0.01 0.00 0.50 0.00 0.00 46.19 44.22 2aal s LEU 67 CO -0.04 0.01 -0.20 -0.22 -1.32 0.00 0.00 176.35 174.58 2aal s LEU 68 N 1.04 2.15 -0.17 -0.68 2.96 -0.07 0.21 118.68 124.11 2aal s LEU 68 Ca 0.14 -0.62 -0.05 0.00 -0.22 0.00 0.00 54.13 53.38 2aal s LEU 68 Cb -0.14 -1.47 -0.03 0.00 0.50 0.00 0.00 46.19 45.05 2aal s LEU 68 CO 0.06 0.03 -0.00 -0.89 -1.32 0.00 0.00 176.35 174.22 2aal s THR 69 N 1.09 4.13 -0.10 3.68 2.01 0.12 -1.19 115.64 125.38 2aal s THR 69 Ca -0.00 -0.27 0.03 0.00 0.31 0.00 0.00 61.69 61.76 2aal s THR 69 Cb -0.14 -2.84 -0.01 0.00 0.01 0.00 0.00 72.50 69.53 2aal s THR 69 CO -0.08 0.47 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.42 2aal s VAL 70 N 0.49 2.33 -0.18 3.82 1.01 -0.16 0.91 120.40 128.63 2aal s VAL 70 Ca -0.01 -0.93 -0.05 0.00 0.00 0.00 0.00 61.98 60.99 2aal s VAL 70 Cb -0.14 -1.91 -0.03 0.00 0.00 0.00 0.00 36.38 34.30 2aal s VAL 70 CO 0.02 0.55 -0.01 -0.63 0.00 0.00 0.00 175.10 175.03 2aal s ILE 71 N 0.28 4.02 -0.05 2.22 1.01 -0.15 -0.53 121.20 128.00 2aal s ILE 71 Ca -0.15 -0.30 -0.14 0.00 0.00 0.00 0.00 60.65 60.05 2aal s ILE 71 Cb -0.17 -2.79 0.03 0.00 0.01 0.00 0.00 42.46 39.54 2aal s ILE 71 CO 0.08 0.46 0.32 -0.55 0.00 0.00 0.00 174.94 175.25 2aal s SER 72 N 0.62 -0.24 0.95 3.58 0.15 -0.30 -0.86 113.70 117.60 2aal s SER 72 Ca -0.01 0.26 -0.11 0.00 0.70 0.00 0.00 55.95 56.78 2aal s SER 72 Cb -0.14 0.42 0.12 0.00 -1.71 0.00 0.00 66.02 64.71 2aal s SER 72 CO 0.02 -0.36 0.85 0.54 1.20 0.00 0.00 173.24 175.50 2aal n ARG 73 N 1.73 -0.54 -1.70 5.44 1.74 -1.26 -1.25 116.66 120.82 2aal n ARG 73 Ca -0.19 -0.10 -0.42 0.00 -0.77 0.00 0.00 57.85 56.36 2aal n ARG 73 Cb 0.56 -2.17 -0.03 0.00 -1.02 0.00 0.00 32.46 29.81 2aal n ARG 73 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 2aal n PRO 74 N -3.34 2.77 -4.25 5.56 -0.02 -1.25 -4.83 135.00 129.62 2aal n PRO 74 Ca 0.09 1.00 -0.23 0.00 -2.02 0.00 0.00 63.50 62.35 2aal n PRO 74 Cb 0.53 -2.88 -0.07 0.00 -0.02 0.00 0.00 33.50 31.06 2aal n PRO 74 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2aal s ARG 75 N 2.29 2.28 0.70 -0.52 1.81 -1.26 -5.13 118.95 119.13 2aal s ARG 75 Ca 0.80 -1.49 -0.13 0.00 -1.72 0.00 0.00 55.73 53.19 2aal s ARG 75 Cb -0.50 -2.13 0.02 0.00 -0.45 0.00 0.00 34.95 31.89 2aal s ARG 75 CO 0.36 0.28 1.10 -1.54 -0.68 0.00 0.00 175.30 174.82 2aal s SER 76 N -3.72 4.89 0.33 0.23 1.04 -1.26 -4.87 113.70 110.34 2aal s SER 76 Ca 0.33 1.92 0.06 0.00 0.48 0.00 0.00 55.95 58.75 2aal s SER 76 Cb -0.05 -2.54 0.73 0.00 0.10 0.00 0.00 66.02 64.27 2aal s SER 76 CO 0.20 -1.78 1.85 -0.08 0.98 0.00 0.00 173.24 174.42 2aal h GLU 77 N -0.42 0.77 -0.68 4.02 4.81 -2.00 -1.67 114.58 119.41 2aal h GLU 77 Ca -0.45 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 58.65 2aal h GLU 77 Cb 1.24 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 30.42 2aal h GLU 77 CO 0.53 0.51 0.13 0.93 -0.73 0.00 0.00 179.01 180.38 2aal h GLU 78 N 0.79 1.11 -0.30 1.92 3.07 -1.99 -1.51 114.58 117.67 2aal h GLU 78 Ca 0.47 -0.28 -0.17 0.00 -0.50 0.00 0.00 59.36 58.88 2aal h GLU 78 Cb 0.66 -0.14 -0.00 0.00 -0.84 0.00 0.00 28.75 28.42 2aal h GLU 78 CO -0.23 1.00 -0.48 1.96 -1.40 0.00 0.00 179.01 179.86 2aal h GLN 79 N 1.04 0.80 -0.11 2.33 4.20 -1.69 -0.58 115.11 121.10 2aal h GLN 79 Ca 0.21 -0.46 -0.00 0.00 0.06 0.00 0.00 58.65 58.45 2aal h GLN 79 Cb 0.41 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.23 2aal h GLN 79 CO 0.01 1.10 0.05 0.87 -0.67 0.00 0.00 178.83 180.19 2aal h LYS 80 N 0.63 0.16 -0.73 1.46 1.57 -1.10 0.79 116.57 119.34 2aal h LYS 80 Ca 0.03 -0.02 0.08 0.00 -1.87 0.00 0.00 60.65 58.87 2aal h LYS 80 Cb 1.06 -0.03 -0.07 0.00 0.08 0.00 0.00 32.23 33.27 2aal h LYS 80 CO 0.10 0.21 0.39 0.28 -0.57 0.00 0.00 179.45 179.87 2aal h VAL 81 N 0.06 0.90 -0.10 0.50 2.07 -1.27 -0.58 116.25 117.82 2aal h VAL 81 Ca 0.04 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 2aal h VAL 81 Cb 0.11 0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 30.04 2aal h VAL 81 CO -0.01 0.12 0.04 0.00 0.02 0.00 0.00 177.57 177.75 2aal h PHE 83 N 0.02 0.26 -0.52 0.00 3.57 -0.18 -0.00 116.94 120.08 2aal h PHE 83 Ca 0.04 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.59 2aal h PHE 83 Cb 0.15 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 38.81 2aal h PHE 83 CO -0.02 0.07 0.31 1.88 -2.23 0.00 0.00 178.31 178.31 2aal h TYR 84 N 0.31 0.58 -0.18 0.41 0.05 -1.00 0.11 116.97 117.25 2aal h TYR 84 Ca 0.24 0.02 0.02 0.00 0.05 0.00 0.00 58.73 59.05 2aal h TYR 84 Cb 0.28 -0.19 -0.02 0.00 1.01 0.00 0.00 36.73 37.82 2aal h TYR 84 CO -0.18 0.33 0.07 0.87 -1.05 0.00 0.00 178.16 178.19 2aal h LYS 85 N 0.61 0.15 -0.46 4.88 1.57 -1.22 -2.20 116.57 119.90 2aal h LYS 85 Ca 0.21 -0.01 -0.13 0.00 -1.87 0.00 0.00 60.65 58.85 2aal h LYS 85 Cb 0.03 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 2aal h LYS 85 CO -0.10 0.10 -0.24 -0.07 -0.57 0.00 0.00 179.45 178.58 2aal h LEU 86 N 0.16 0.99 0.33 2.94 3.38 -0.80 -0.90 115.31 121.42 2aal h LEU 86 Ca 0.08 -0.38 -0.00 0.00 0.09 0.00 0.00 57.88 57.66 2aal h LEU 86 Cb 0.04 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 2aal h LEU 86 CO -0.07 1.17 -0.30 0.25 0.09 0.00 0.00 178.44 179.57 2aal h LEU 87 N 0.83 -0.81 -0.84 1.67 5.85 -0.75 0.38 115.31 121.63 2aal h LEU 87 Ca 0.10 0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.83 2aal h LEU 87 Cb 0.81 0.27 -0.03 0.00 0.37 0.00 0.00 40.66 42.08 2aal h LEU 87 CO 0.07 -0.44 0.15 0.71 -0.34 0.00 0.00 178.44 178.59 2aal h THR 88 N -0.66 1.25 -0.62 1.05 1.35 -1.36 0.15 112.91 114.07 2aal h THR 88 Ca -0.02 -0.92 0.00 0.00 -0.55 0.00 0.00 66.41 64.92 2aal h THR 88 Cb 0.59 0.60 -0.03 0.00 -1.73 0.00 0.00 68.15 67.58 2aal h THR 88 CO -0.04 0.35 0.39 1.23 -0.25 0.00 0.00 175.52 177.20 2aal h GLY 89 N 1.05 0.89 0.88 5.82 0.00 -0.93 -0.45 103.07 110.33 2aal h GLY 89 Ca 0.20 -0.35 -0.15 0.00 0.00 0.00 0.00 47.33 47.03 2aal h GLY 89 CO 0.00 0.34 -0.54 0.00 0.00 0.00 0.00 176.54 176.34 2aal h ALA 90 N 1.21 0.18 -0.25 3.60 0.00 -0.47 -1.01 119.26 122.52 2aal h ALA 90 Ca 0.22 -0.52 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 2aal h ALA 90 Cb -0.06 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2aal h ALA 90 CO -0.05 0.40 0.01 -0.07 0.00 0.00 0.00 179.25 179.54 2aal h LEU 91 N 0.11 0.33 0.11 0.00 3.38 -0.89 0.13 115.31 118.47 2aal h LEU 91 Ca -0.04 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 2aal h LEU 91 Cb 1.20 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.86 2aal h LEU 91 CO 0.11 0.38 -0.05 -0.08 0.09 0.00 0.00 178.44 178.89 2aal h GLU 92 N 0.35 -0.14 -0.50 1.13 4.81 -0.95 -2.10 114.58 117.19 2aal h GLU 92 Ca 0.08 0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.25 2aal h GLU 92 Cb 0.22 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 2aal h GLU 92 CO 0.00 0.30 0.03 0.00 -0.73 0.00 0.00 179.01 178.61 2aal h ARG 93 N -0.64 0.87 0.00 1.92 3.08 -0.98 -1.56 114.38 117.06 2aal h ARG 93 Ca -0.01 -0.26 -0.12 0.00 0.07 0.00 0.00 59.98 59.65 2aal h ARG 93 Cb 0.50 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 2aal h ARG 93 CO 0.02 0.89 -1.52 -0.25 -1.07 0.00 0.00 179.97 178.04 2aal n ASP 94 N -4.35 0.63 0.00 7.04 8.00 0.43 -4.52 116.55 123.78 2aal n ASP 94 Ca 0.01 0.27 0.00 0.00 0.71 0.00 0.00 54.79 55.78 2aal n ASP 94 Cb 0.30 0.61 0.00 0.00 -0.02 0.00 0.00 41.12 42.01 2aal n ASP 94 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2aal n GLY 96 N 0.80 -0.02 3.63 0.00 0.00 -0.59 -4.98 105.19 104.04 2aal n GLY 96 Ca 0.00 -0.30 -0.40 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.68 5.08 0.30 -0.61 1.01 -0.92 -4.97 121.20 118.40 2aal s ILE 97 Ca 0.00 0.91 -0.30 0.00 0.00 0.00 0.00 60.65 61.26 2aal s ILE 97 Cb 0.00 -3.83 -0.12 0.00 0.01 0.00 0.00 42.46 38.52 2aal s ILE 97 CO 0.00 0.11 1.55 -0.24 0.00 0.00 0.00 174.94 176.36 2aal n SER 98 N 5.35 3.70 0.31 3.58 2.88 -1.26 -3.27 113.62 124.90 2aal n SER 98 Ca -0.04 1.16 0.14 0.00 -1.33 0.00 0.00 58.87 58.80 2aal n SER 98 Cb 0.50 -1.58 0.78 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 4.40 0.00 0.00 -1.46 0.11 -1.97 0.31 132.00 133.39 2aal h PRO 99 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2aal h PRO 99 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2aal h PRO 99 CO 0.76 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.30 2aal n ASP 100 N -2.77 0.62 -1.30 -2.05 9.92 -1.26 -2.99 116.55 116.71 2aal n ASP 100 Ca -0.02 0.60 0.08 0.00 -0.53 0.00 0.00 54.79 54.92 2aal n ASP 100 Cb 0.34 -0.75 0.32 0.00 -0.64 0.00 0.00 41.12 40.39 2aal n ASP 100 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 2aal n ASP 101 N -2.13 4.61 -4.19 -2.24 8.00 0.11 -4.43 116.55 116.29 2aal n ASP 101 Ca 0.04 -2.92 -0.33 0.00 0.71 0.00 0.00 54.79 52.30 2aal n ASP 101 Cb 0.32 -0.59 -0.16 0.00 -0.02 0.00 0.00 41.12 40.67 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 -2.68 2.24 -0.04 2.53 1.01 -1.16 -0.09 120.40 122.21 2aal s VAL 102 Ca 0.47 -0.91 0.03 0.00 0.00 0.00 0.00 61.98 61.57 2aal s VAL 102 Cb 0.36 -1.92 0.00 0.00 0.00 0.00 0.00 36.38 34.82 2aal s VAL 102 CO 0.13 0.54 -0.12 -0.63 0.00 0.00 0.00 175.10 175.01 2aal s ILE 103 N 0.94 1.08 -0.04 2.22 1.01 -0.19 -5.00 121.20 121.21 2aal s ILE 103 Ca -0.04 -0.50 0.03 0.00 0.00 0.00 0.00 60.65 60.15 2aal s ILE 103 Cb -0.15 -0.95 0.00 0.00 0.01 0.00 0.00 42.46 41.37 2aal s ILE 103 CO -0.04 0.33 -0.14 -0.69 0.00 0.00 0.00 174.94 174.40 2aal s VAL 104 N 0.27 1.22 -0.10 2.92 1.01 -1.26 -0.90 120.40 123.57 2aal s VAL 104 Ca -0.06 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 61.34 2aal s VAL 104 Cb -0.11 -1.06 0.02 0.00 0.00 0.00 0.00 36.38 35.22 2aal s VAL 104 CO 0.02 0.36 -0.12 0.00 0.00 0.00 0.00 175.10 175.35 2aal s ALA 105 N 0.17 1.47 -0.08 5.51 0.00 -0.34 -4.99 121.76 123.50 2aal s ALA 105 Ca -0.05 -0.58 0.01 0.00 0.00 0.00 0.00 51.96 51.33 2aal s ALA 105 Cb -0.11 -0.76 -0.03 0.00 0.00 0.00 0.00 23.12 22.21 2aal s ALA 105 CO 0.02 -0.10 -0.09 -1.17 0.00 0.00 0.00 175.76 174.43 2aal s LEU 106 N 1.05 3.05 0.00 0.00 0.20 -1.26 -0.99 118.68 120.72 2aal s LEU 106 Ca -0.06 -0.09 0.06 0.00 0.69 0.00 0.00 54.13 54.72 2aal s LEU 106 Cb -0.15 -1.66 -0.02 0.00 -0.43 0.00 0.00 46.19 43.94 2aal s LEU 106 CO -0.01 0.33 -0.19 -0.69 -0.29 0.00 0.00 176.35 175.50 2aal s VAL 107 N -0.60 1.47 0.13 1.68 1.01 0.32 -4.97 120.40 119.43 2aal s VAL 107 Ca 0.09 -0.89 0.06 0.00 0.00 0.00 0.00 61.98 61.24 2aal s VAL 107 Cb -0.12 -1.24 -0.04 0.00 0.00 0.00 0.00 36.38 34.98 2aal s VAL 107 CO 0.02 0.34 -0.02 -1.61 0.00 0.00 0.00 175.10 173.83 2aal s GLU 108 N -0.65 2.42 0.00 2.72 2.02 -1.26 -1.15 118.70 122.80 2aal s GLU 108 Ca 0.07 -0.98 0.00 0.00 0.02 0.00 0.00 54.97 54.08 2aal s GLU 108 Cb -0.07 -2.43 0.00 0.00 0.10 0.00 0.00 34.13 31.73 2aal s GLU 108 CO -0.00 0.50 0.00 0.27 0.02 0.00 0.00 175.26 176.05 2aal n ASN 109 N 0.30 0.00 -1.08 -0.19 0.23 -0.38 -4.89 115.26 109.25 2aal n ASN 109 Ca -0.11 0.00 -0.01 0.00 -0.53 0.00 0.00 54.58 53.94 2aal n ASN 109 Cb 0.53 0.00 -0.00 0.00 -2.08 0.00 0.00 39.78 38.23 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 0.00 -0.03 -0.27 0.53 2.88 -1.26 -3.93 113.62 111.55 2aal n SER 110 Ca 0.00 -1.08 0.01 0.00 -1.33 0.00 0.00 58.87 56.47 2aal n SER 110 Cb 0.00 0.06 0.22 0.00 -0.75 0.00 0.00 64.21 63.74 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 0.07 0.93 0.00 -3.46 3.32 -1.99 -1.71 116.42 113.58 2aal h ASP 111 Ca -0.01 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.02 2aal h ASP 111 Cb 0.04 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.37 2aal h ASP 111 CO 0.01 0.66 0.00 0.00 -1.72 0.00 0.00 179.24 178.19 2aal n ALA 112 N -2.41 2.35 -0.36 3.45 0.00 -1.26 -3.98 120.51 118.31 2aal n ALA 112 Ca 0.10 -0.09 0.07 0.00 0.00 0.00 0.00 53.44 53.52 2aal n ALA 112 Cb 0.06 -1.23 0.21 0.00 0.00 0.00 0.00 19.45 18.49 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 -0.79 3.40 -4.09 0.00 8.00 -0.64 -4.91 116.55 117.51 2aal n ASP 113 Ca 0.11 -2.18 -0.23 0.00 0.71 0.00 0.00 54.79 53.20 2aal n ASP 113 Cb 0.05 -0.35 -0.15 0.00 -0.02 0.00 0.00 41.12 40.65 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 -1.33 1.32 -0.16 1.24 0.52 -1.26 -4.93 118.94 114.34 2aal s TRP 114 Ca 0.33 -0.30 -0.02 0.00 0.02 0.00 0.00 56.10 56.13 2aal s TRP 114 Cb 0.19 -0.88 0.05 0.00 -1.15 0.00 0.00 33.47 31.68 2aal s TRP 114 CO 0.18 -0.08 -0.00 0.45 0.02 0.00 0.00 176.95 177.52 2aal s SER 115 N -0.12 2.59 0.00 2.95 0.15 -1.26 -4.15 113.70 113.86 2aal s SER 115 Ca 0.01 -0.60 0.24 0.00 0.70 0.00 0.00 55.95 56.31 2aal s SER 115 Cb -0.08 -0.68 0.39 0.00 -1.71 0.00 0.00 66.02 63.94 2aal s SER 115 CO 0.00 -0.24 1.33 0.49 1.20 0.00 0.00 173.24 176.03 2aal n PHE 116 N 5.01 0.00 0.00 3.44 3.72 -1.25 -4.96 117.46 123.41 2aal n PHE 116 Ca -0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.30 2aal n PHE 116 Cb 0.48 -0.17 0.00 0.00 -0.94 0.00 0.00 39.48 38.85 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 1.47 1.42 2.67 1.37 0.00 -1.26 -5.03 105.19 105.82 2aal n GLY 117 Ca 0.07 -0.84 -0.18 0.00 0.00 0.00 0.00 46.02 45.06 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 -0.44 -1.53 -1.31 1.61 1.74 -1.26 -2.14 116.66 113.33 2aal n ARG 118 Ca 0.00 1.12 -0.11 0.00 -0.77 0.00 0.00 57.85 58.10 2aal n ARG 118 Cb 0.00 -5.52 -0.05 0.00 -1.02 0.00 0.00 32.46 25.87 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 -0.19 1.13 3.91 -0.13 0.00 -1.26 -5.00 105.19 103.64 2aal n GLY 119 Ca -0.18 -0.25 -0.31 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.72 3.58 -0.78 1.61 0.52 -0.91 -5.05 118.95 115.21 2aal s ARG 120 Ca 0.00 -0.16 -0.07 0.00 -0.52 0.00 0.00 55.73 54.97 2aal s ARG 120 Cb 0.00 -2.85 0.20 0.00 0.52 0.00 0.00 34.95 32.82 2aal s ARG 120 CO 0.00 0.46 0.66 0.00 0.02 0.00 0.00 175.30 176.44 2aal s ALA 121 N -1.70 3.95 0.46 2.13 0.00 -1.26 -3.90 121.76 121.43 2aal s ALA 121 Ca 0.40 -3.42 0.29 0.00 0.00 0.00 0.00 51.96 49.23 2aal s ALA 121 Cb -0.12 -3.08 1.56 0.00 0.00 0.00 0.00 23.12 21.48 2aal s ALA 121 CO 0.26 -2.19 2.12 0.93 0.00 0.00 0.00 175.76 176.88 2aal h GLU 122 N 7.13 0.00 0.00 0.00 3.07 -1.90 0.11 114.58 122.99 2aal h GLU 122 Ca 0.07 0.00 -0.15 0.00 -0.50 0.00 0.00 59.36 58.79 2aal h GLU 122 Cb 0.96 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.85 2aal h GLU 122 CO 0.77 0.09 -0.70 0.74 -1.40 0.00 0.00 179.01 178.51 2aal h PHE 123 N 0.00 0.00 0.07 4.33 0.04 -1.78 -1.88 116.94 117.71 2aal h PHE 123 Ca -0.00 0.00 -0.27 0.00 2.80 0.00 0.00 57.97 60.50 2aal h PHE 123 Cb 0.25 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.42 2aal h PHE 123 CO 0.00 0.70 -1.12 -0.07 -0.60 0.00 0.00 178.31 177.21 2aal h LEU 124 N 0.00 0.71 -0.05 1.54 3.38 -1.02 -3.29 115.31 116.58 2aal h LEU 124 Ca -0.01 -0.63 0.00 0.00 0.09 0.00 0.00 57.88 57.33 2aal h LEU 124 Cb 1.25 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.78 2aal h LEU 124 CO 0.09 1.44 0.00 0.35 0.09 0.00 0.00 178.44 180.41 2aal n THR 125 N -3.75 0.61 -0.39 0.22 -2.24 -0.65 -4.92 114.28 103.16 2aal n THR 125 Ca -0.10 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 2aal n THR 125 Cb 0.93 -0.63 0.00 0.00 -2.10 0.00 0.00 70.33 68.53 2aal n THR 125 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2aal n GLY 126 N 1.22 1.11 0.35 3.38 0.00 -0.98 -4.93 105.19 105.34 2aal n GLY 126 Ca 0.05 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.24 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 -4.43 1.61 3.32 -1.76 -3.40 116.42 111.75 2aal h ASP 127 Ca 0.00 0.00 -0.41 0.00 0.02 0.00 0.00 57.03 56.64 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 0.00 -0.78 -0.76 -1.72 0.00 0.00 179.24 175.98 2aal s LEU 128 N -8.52 2.23 0.00 1.55 1.43 -0.76 -5.04 118.68 109.57 2aal s LEU 128 Ca -0.05 -0.54 0.25 0.00 -1.03 0.00 0.00 54.13 52.76 2aal s LEU 128 Cb 0.18 -0.51 0.41 0.00 0.03 0.00 0.00 46.19 46.30 2aal s LEU 128 CO 0.67 -0.04 1.38 0.52 0.23 0.00 0.00 176.35 179.11