#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 2.40 -0.23 1.53 2.96 -0.07 -4.23 118.68 121.04 2aal s LEU 2 Ca 0.00 -0.47 -0.03 0.00 -0.22 0.00 0.00 54.13 53.40 2aal s LEU 2 Cb 0.00 -1.53 0.00 0.00 0.50 0.00 0.00 46.19 45.16 2aal s LEU 2 CO 0.00 0.12 -0.04 -0.76 -1.32 0.00 0.00 176.35 174.35 2aal s LEU 3 N 0.62 3.00 -0.19 -0.68 1.02 -0.16 -1.12 118.68 121.17 2aal s LEU 3 Ca -0.10 -0.52 -0.02 0.00 0.02 0.00 0.00 54.13 53.51 2aal s LEU 3 Cb -0.16 -1.73 -0.00 0.00 0.02 0.00 0.00 46.19 44.32 2aal s LEU 3 CO 0.03 -0.06 -0.11 -0.54 0.02 0.00 0.00 176.35 175.70 2aal s LYS 4 N 1.44 3.27 -0.11 1.70 1.02 0.11 -1.34 119.74 125.84 2aal s LYS 4 Ca 0.04 -0.70 -0.04 0.00 0.02 0.00 0.00 55.97 55.30 2aal s LYS 4 Cb -0.15 -2.81 -0.04 0.00 -0.52 0.00 0.00 37.83 34.32 2aal s LYS 4 CO -0.03 -0.12 0.05 -0.06 -0.92 0.00 0.00 175.35 174.26 2aal s PHE 5 N 1.20 3.29 -0.19 3.18 0.40 0.47 -0.48 117.98 125.84 2aal s PHE 5 Ca 0.02 0.27 -0.01 0.00 -0.60 0.00 0.00 56.93 56.61 2aal s PHE 5 Cb -0.14 -1.86 0.00 0.00 0.51 0.00 0.00 43.02 41.53 2aal s PHE 5 CO -0.04 0.51 -0.12 -0.51 0.70 0.00 0.00 175.22 175.76 2aal s ASP 6 N -0.79 3.73 0.18 1.36 1.01 0.76 -0.55 116.67 122.36 2aal s ASP 6 Ca 0.13 -0.51 0.02 0.00 0.71 0.00 0.00 52.55 52.89 2aal s ASP 6 Cb -0.12 -1.61 -0.05 0.00 1.01 0.00 0.00 42.92 42.16 2aal s ASP 6 CO 0.03 0.01 0.01 -1.48 0.21 0.00 0.00 175.17 173.94 2aal s LEU 7 N 1.29 2.07 0.32 1.23 2.34 -0.61 -1.71 118.68 123.61 2aal s LEU 7 Ca 0.04 -1.19 -0.22 0.00 0.06 0.00 0.00 54.13 52.82 2aal s LEU 7 Cb -0.14 -0.03 -0.10 0.00 -0.56 0.00 0.00 46.19 45.36 2aal s LEU 7 CO -0.07 -0.58 0.86 -0.36 -1.06 0.00 0.00 176.35 175.14 2aal s PHE 8 N -3.68 3.55 0.89 3.48 0.08 -1.26 -0.28 117.98 120.76 2aal s PHE 8 Ca 0.25 1.57 -0.12 0.00 0.12 0.00 0.00 56.93 58.75 2aal s PHE 8 Cb 0.06 -2.78 0.08 0.00 -0.57 0.00 0.00 43.02 39.81 2aal s PHE 8 CO 0.04 0.15 0.86 0.66 -0.10 0.00 0.00 175.22 176.84 2aal n TYR 9 N 0.20 0.04 0.00 0.36 4.01 -0.39 -4.56 117.16 116.82 2aal n TYR 9 Ca 0.02 0.34 0.00 0.00 -0.16 0.00 0.00 57.90 58.10 2aal n TYR 9 Cb 0.52 -1.95 0.00 0.00 -0.31 0.00 0.00 39.34 37.60 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 0.86 1.46 3.82 2.72 0.00 -1.26 -4.99 105.19 107.81 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 4.20 0.90 1.61 0.52 -1.26 -5.07 118.95 119.85 2aal s ARG 11 Ca 0.00 0.89 -0.10 0.00 -0.52 0.00 0.00 55.73 56.00 2aal s ARG 11 Cb 0.00 -2.59 0.14 0.00 0.52 0.00 0.00 34.95 33.02 2aal s ARG 11 CO 0.00 0.22 1.12 0.95 0.02 0.00 0.00 175.30 177.61 2aal s THR 12 N -1.81 2.39 0.29 0.02 -4.23 -1.26 -4.80 115.64 106.23 2aal s THR 12 Ca 0.51 0.13 0.02 0.00 -1.18 0.00 0.00 61.69 61.17 2aal s THR 12 Cb -0.13 -2.28 0.29 0.00 1.34 0.00 0.00 72.50 71.71 2aal s THR 12 CO 0.19 -0.16 1.83 0.44 -0.54 0.00 0.00 174.62 176.37 2aal h ASP 13 N -1.75 0.91 -0.29 3.99 3.32 -1.99 -0.32 116.42 120.28 2aal h ASP 13 Ca -0.45 0.06 -0.13 0.00 0.02 0.00 0.00 57.03 56.53 2aal h ASP 13 Cb 1.27 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.68 2aal h ASP 13 CO 0.45 0.46 -0.27 0.00 -1.72 0.00 0.00 179.24 178.16 2aal h ALA 14 N 1.56 0.80 -0.57 3.45 0.00 -1.98 -0.22 119.26 122.29 2aal h ALA 14 Ca 0.51 -0.40 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 2aal h ALA 14 Cb 0.56 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 2aal h ALA 14 CO -0.28 0.65 0.03 1.96 0.00 0.00 0.00 179.25 181.60 2aal h GLN 15 N 0.68 0.96 0.42 0.00 4.20 -1.65 0.10 115.11 119.83 2aal h GLN 15 Ca 0.08 -0.27 -0.02 0.00 0.06 0.00 0.00 58.65 58.50 2aal h GLN 15 Cb 0.81 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.49 2aal h GLN 15 CO 0.07 0.93 -0.20 0.82 -0.67 0.00 0.00 178.83 179.77 2aal h ILE 16 N 0.89 0.58 -0.45 2.54 2.04 -0.84 -1.90 117.51 120.37 2aal h ILE 16 Ca 0.17 -0.12 0.09 0.00 1.00 0.00 0.00 64.86 66.00 2aal h ILE 16 Cb 0.48 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 2aal h ILE 16 CO 0.02 0.02 0.31 0.50 0.00 0.00 0.00 178.15 179.00 2aal h LYS 17 N -0.64 0.21 -0.53 2.37 1.63 -0.74 -1.73 116.57 117.13 2aal h LYS 17 Ca -0.06 -0.01 -0.10 0.00 -0.85 0.00 0.00 60.65 59.63 2aal h LYS 17 Cb 0.48 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 32.04 2aal h LYS 17 CO 0.10 0.14 -0.05 1.03 -3.45 0.00 0.00 179.45 177.22 2aal h SER 18 N 0.21 0.97 -0.15 4.20 0.87 -0.48 0.58 113.55 119.76 2aal h SER 18 Ca 0.21 -0.33 -0.01 0.00 -1.23 0.00 0.00 61.79 60.43 2aal h SER 18 Cb 0.54 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.23 2aal h SER 18 CO -0.04 1.06 0.07 0.25 -0.53 0.00 0.00 176.83 177.65 2aal h LEU 19 N 0.85 0.20 -0.55 2.23 7.12 -0.78 0.59 115.31 124.96 2aal h LEU 19 Ca 0.15 -0.12 -0.03 0.00 0.13 0.00 0.00 57.88 58.01 2aal h LEU 19 Cb 0.60 -0.05 -0.02 0.00 -0.53 0.00 0.00 40.66 40.65 2aal h LEU 19 CO 0.04 0.26 0.23 -0.07 -0.13 0.00 0.00 178.44 178.77 2aal h LEU 20 N 0.12 0.76 -0.52 2.25 3.38 -1.03 -0.19 115.31 120.07 2aal h LEU 20 Ca 0.05 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 2aal h LEU 20 Cb 0.11 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 2aal h LEU 20 CO -0.01 0.71 0.20 0.44 0.09 0.00 0.00 178.44 179.87 2aal h ASP 21 N 0.75 0.73 -0.37 -0.43 3.32 -0.70 0.36 116.42 120.09 2aal h ASP 21 Ca 0.19 -0.18 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 2aal h ASP 21 Cb 0.18 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 2aal h ASP 21 CO -0.02 0.71 0.17 0.00 -1.72 0.00 0.00 179.24 178.38 2aal h ALA 22 N 1.05 0.48 -0.62 3.45 0.00 -0.66 -0.89 119.26 122.07 2aal h ALA 22 Ca 0.17 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 2aal h ALA 22 Cb 0.22 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2aal h ALA 22 CO -0.01 0.05 0.05 0.00 0.00 0.00 0.00 179.25 179.34 2aal h ALA 23 N 1.02 0.83 -0.43 0.00 0.00 -0.79 -1.65 119.26 118.23 2aal h ALA 23 Ca 0.13 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 2aal h ALA 23 Cb 0.14 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2aal h ALA 23 CO -0.01 0.64 0.08 1.25 0.00 0.00 0.00 179.25 181.20 2aal h HIS 24 N 0.97 0.74 -0.54 0.00 6.17 -0.74 -1.13 115.15 120.62 2aal h HIS 24 Ca 0.18 -0.10 0.09 0.00 0.71 0.00 0.00 60.37 61.25 2aal h HIS 24 Cb 0.50 -0.20 -0.07 0.00 2.52 0.00 0.00 27.41 30.16 2aal h HIS 24 CO 0.04 0.70 0.15 0.78 0.71 0.00 0.00 177.93 180.31 2aal h GLY 25 N 0.56 0.70 1.02 5.26 0.00 -1.07 -0.58 103.07 108.96 2aal h GLY 25 Ca 0.13 -0.06 -0.05 0.00 0.00 0.00 0.00 47.33 47.34 2aal h GLY 25 CO 0.01 -0.05 0.20 0.00 0.00 0.00 0.00 176.54 176.70 2aal h ALA 26 N 1.39 0.85 0.12 3.60 0.00 -0.98 -0.99 119.26 123.25 2aal h ALA 26 Ca 0.27 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2aal h ALA 26 Cb 0.35 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2aal h ALA 26 CO -0.31 0.53 -0.06 1.98 0.00 0.00 0.00 179.25 181.39 2aal h MET 27 N 0.94 -0.15 -0.92 0.00 -1.53 -0.45 -1.09 114.93 111.73 2aal h MET 27 Ca 0.21 0.01 0.04 0.00 -3.44 0.00 0.00 59.70 56.52 2aal h MET 27 Cb 0.30 0.03 -0.06 0.00 -0.55 0.00 0.00 31.60 31.33 2aal h MET 27 CO -0.01 -0.08 0.59 0.28 0.14 0.00 0.00 176.91 177.83 2aal h VAL 28 N -0.18 1.14 -0.59 -5.77 2.07 -1.02 0.22 116.25 112.11 2aal h VAL 28 Ca -0.02 -0.39 -0.03 0.00 0.82 0.00 0.00 66.70 67.09 2aal h VAL 28 Cb 0.14 -0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 29.78 2aal h VAL 28 CO 0.03 0.21 0.26 -0.78 0.02 0.00 0.00 177.57 177.31 2aal h ASP 29 N 1.14 0.80 0.27 0.57 3.58 -0.98 0.29 116.42 122.07 2aal h ASP 29 Ca 0.37 -0.15 -0.31 0.00 0.42 0.00 0.00 57.03 57.37 2aal h ASP 29 Cb 0.03 -0.21 0.03 0.00 1.72 0.00 0.00 39.33 40.91 2aal h ASP 29 CO -0.13 0.73 -1.31 0.00 -2.88 0.00 0.00 179.24 175.64 2aal h ALA 30 N 1.10 -0.02 0.00 -0.78 0.00 -0.62 -3.38 119.26 115.56 2aal h ALA 30 Ca 0.20 -0.82 0.00 0.00 0.00 0.00 0.00 54.91 54.29 2aal h ALA 30 Cb 0.16 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2aal h ALA 30 CO -0.02 0.74 -1.74 1.19 0.00 0.00 0.00 179.25 179.42 2aal n PHE 31 N -3.72 0.00 -3.33 0.00 3.72 0.71 -4.78 117.46 110.06 2aal n PHE 31 Ca -0.14 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.09 2aal n PHE 31 Cb 1.03 -0.38 0.07 0.00 -0.94 0.00 0.00 39.48 39.25 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 1.42 -0.24 3.94 1.37 0.00 1.00 -5.02 105.19 107.66 2aal n GLY 32 Ca -0.03 0.05 -0.20 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.26 4.24 0.51 1.61 -7.23 -1.25 -5.06 120.40 109.94 2aal s VAL 33 Ca 0.36 -1.12 -0.23 0.00 -1.81 0.00 0.00 61.98 59.18 2aal s VAL 33 Cb -0.16 -3.45 -0.07 0.00 0.56 0.00 0.00 36.38 33.26 2aal s VAL 33 CO 0.58 -0.22 1.33 -2.65 -0.31 0.00 0.00 175.10 173.84 2aal n PRO 34 N -1.48 1.80 0.30 4.82 -0.02 -1.26 -4.86 135.00 134.29 2aal n PRO 34 Ca -0.03 0.65 0.17 0.00 -2.02 0.00 0.00 63.50 62.27 2aal n PRO 34 Cb 0.58 -2.52 0.98 0.00 -0.02 0.00 0.00 33.50 32.51 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 1.67 1.44 -0.66 3.55 0.00 -1.99 0.08 119.26 123.36 2aal h ALA 35 Ca -0.50 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2aal h ALA 35 Cb 1.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2aal h ALA 35 CO 0.58 -0.05 0.00 0.27 0.00 0.00 0.00 179.25 180.05 2aal n ASN 36 N -3.64 3.85 -3.58 0.00 0.23 -1.26 -4.50 115.26 106.35 2aal n ASN 36 Ca -0.02 -2.11 -0.40 0.00 -0.53 0.00 0.00 54.58 51.51 2aal n ASN 36 Cb 0.12 -0.48 -0.02 0.00 -2.08 0.00 0.00 39.78 37.31 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 4.47 -3.98 0.53 2.03 0.01 -4.89 116.55 116.09 2aal n ASP 37 Ca 0.23 -2.71 -0.31 0.00 0.52 0.00 0.00 54.79 52.52 2aal n ASP 37 Cb 0.64 -1.46 -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 3.48 1.78 -0.24 -0.67 3.52 -1.26 -4.70 118.95 120.85 2aal s ARG 38 Ca 0.53 -1.17 -0.02 0.00 -0.13 0.00 0.00 55.73 54.93 2aal s ARG 38 Cb 0.14 -2.71 0.08 0.00 -1.56 0.00 0.00 34.95 30.90 2aal s ARG 38 CO -0.03 -0.63 0.06 0.71 -0.81 0.00 0.00 175.30 174.60 2aal s TYR 39 N 1.27 1.17 0.00 5.12 2.02 -1.26 -5.12 117.35 120.55 2aal s TYR 39 Ca -0.05 -1.13 0.00 0.00 -0.37 0.00 0.00 57.07 55.52 2aal s TYR 39 Cb -0.19 -1.22 -0.01 0.00 -0.40 0.00 0.00 41.96 40.14 2aal s TYR 39 CO -0.07 -0.72 -0.02 -0.65 -1.57 0.00 0.00 175.55 172.53 2aal s GLN 40 N 1.81 0.15 0.12 -0.62 -0.21 -1.26 -0.99 119.66 118.65 2aal s GLN 40 Ca 0.03 -0.17 0.05 0.00 0.02 0.00 0.00 55.36 55.29 2aal s GLN 40 Cb -0.17 -0.06 -0.04 0.00 1.00 0.00 0.00 33.01 33.74 2aal s GLN 40 CO -0.16 0.01 -0.13 0.95 -2.12 0.00 0.00 175.29 173.84 2aal s THR 41 N -0.34 1.22 -0.09 -0.19 -4.23 -0.45 -4.97 115.64 106.58 2aal s THR 41 Ca -0.03 -1.70 0.01 0.00 -1.18 0.00 0.00 61.69 58.79 2aal s THR 41 Cb -0.03 -1.48 0.02 0.00 1.34 0.00 0.00 72.50 72.35 2aal s THR 41 CO -0.00 -0.46 -0.09 -0.69 -0.54 0.00 0.00 174.62 172.84 2aal s VAL 42 N -2.23 1.03 -0.17 2.29 1.01 -1.26 -0.40 120.40 120.67 2aal s VAL 42 Ca 0.08 -0.36 -0.02 0.00 0.00 0.00 0.00 61.98 61.68 2aal s VAL 42 Cb -0.04 -1.00 -0.01 0.00 0.00 0.00 0.00 36.38 35.32 2aal s VAL 42 CO 0.02 0.35 -0.09 -0.44 0.00 0.00 0.00 175.10 174.95 2aal s SER 43 N 1.19 4.19 -0.11 3.32 0.01 0.29 -4.97 113.70 117.62 2aal s SER 43 Ca -0.05 -0.34 -0.05 0.00 1.31 0.00 0.00 55.95 56.82 2aal s SER 43 Cb -0.14 -1.68 -0.04 0.00 0.21 0.00 0.00 66.02 64.37 2aal s SER 43 CO -0.02 0.08 0.08 -1.10 0.41 0.00 0.00 173.24 172.69 2aal s GLN 44 N 0.87 3.28 -0.00 12.44 -0.21 -1.26 -1.58 119.66 133.20 2aal s GLN 44 Ca -0.02 -0.25 0.07 0.00 0.02 0.00 0.00 55.36 55.18 2aal s GLN 44 Cb -0.15 -3.03 -0.02 0.00 1.00 0.00 0.00 33.01 30.80 2aal s GLN 44 CO 0.01 0.73 -0.23 -1.01 -2.12 0.00 0.00 175.29 172.67 2aal s HIS 45 N -0.92 2.42 0.77 0.91 3.76 0.62 -4.81 115.29 118.04 2aal s HIS 45 Ca 0.14 -0.36 -0.12 0.00 -0.15 0.00 0.00 55.06 54.57 2aal s HIS 45 Cb -0.12 -1.49 0.06 0.00 1.11 0.00 0.00 32.58 32.14 2aal s HIS 45 CO 0.03 0.07 1.13 1.03 -0.85 0.00 0.00 174.74 176.15 2aal s ARG 46 N -0.87 2.10 0.43 1.40 0.52 -1.26 -1.26 118.95 120.00 2aal s ARG 46 Ca 0.11 1.40 0.18 0.00 -0.52 0.00 0.00 55.73 56.90 2aal s ARG 46 Cb -0.10 -1.86 1.11 0.00 0.52 0.00 0.00 34.95 34.62 2aal s ARG 46 CO 0.01 -1.80 1.88 -1.35 0.02 0.00 0.00 175.30 174.06 2aal h PRO 47 N -0.89 0.36 -0.15 3.54 0.11 -1.97 -1.85 132.00 131.14 2aal h PRO 47 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2aal h PRO 47 Cb 1.25 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2aal h PRO 47 CO 0.50 0.24 0.00 0.41 -0.21 0.00 0.00 178.00 178.93 2aal n GLY 48 N -1.54 0.28 0.15 -0.55 0.00 -1.26 -4.27 105.19 98.01 2aal n GLY 48 Ca 0.17 -0.43 0.15 0.00 0.00 0.00 0.00 46.02 45.92 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 0.33 1.21 -3.98 1.61 1.02 -0.70 -4.70 120.64 115.43 2aal n GLU 49 Ca 0.16 -0.31 -0.14 0.00 -0.02 0.00 0.00 57.16 56.85 2aal n GLU 49 Cb 0.34 -1.47 -0.14 0.00 -0.02 0.00 0.00 31.44 30.14 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 -1.99 0.20 -0.19 3.49 -1.94 -1.26 -4.99 119.30 112.61 2aal s MET 50 Ca 0.43 -0.06 0.01 0.00 -1.71 0.00 0.00 55.69 54.37 2aal s MET 50 Cb 0.21 -0.22 0.03 0.00 2.01 0.00 0.00 34.83 36.85 2aal s MET 50 CO 0.34 0.02 -0.18 0.08 -0.01 0.00 0.00 175.02 175.27 2aal s VAL 51 N 0.11 2.06 -0.33 -6.03 1.01 -1.26 -5.06 120.40 110.90 2aal s VAL 51 Ca -0.01 -1.03 -0.01 0.00 0.00 0.00 0.00 61.98 60.93 2aal s VAL 51 Cb -0.03 -1.91 0.11 0.00 0.00 0.00 0.00 36.38 34.55 2aal s VAL 51 CO -0.00 0.45 0.12 -0.76 0.00 0.00 0.00 175.10 174.91 2aal s LEU 52 N 1.27 2.07 0.00 3.92 1.43 -1.26 -5.11 118.68 120.99 2aal s LEU 52 Ca 0.03 -1.75 0.00 0.00 -1.03 0.00 0.00 54.13 51.38 2aal s LEU 52 Cb -0.14 -0.81 0.00 0.00 0.03 0.00 0.00 46.19 45.27 2aal s LEU 52 CO -0.12 -0.39 0.00 -0.62 0.23 0.00 0.00 176.35 175.45 2aal n GLU 53 N 4.69 3.37 -0.25 1.70 1.02 -1.26 -4.93 120.64 124.98 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 0.41 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 -2.63 1.62 5.75 -1.26 -5.01 116.55 115.02 2aal n ASP 54 Ca 0.00 -1.47 -0.13 0.00 -0.01 0.00 0.00 54.79 53.18 2aal n ASP 54 Cb 0.00 -0.09 -0.00 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 -0.61 -1.09 2.12 -1.04 -1.26 -1.17 114.28 111.23 2aal n THR 55 Ca 0.00 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 61.98 2aal n THR 55 Cb 0.59 -1.57 -0.01 0.00 -1.82 0.00 0.00 70.33 67.52 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 -0.85 0.54 0.17 3.41 0.00 -1.26 -4.92 105.19 102.29 2aal n GLY 56 Ca -0.10 -0.17 0.13 0.00 0.00 0.00 0.00 46.02 45.88 2aal n GLY 56 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2aal h LEU 57 N 0.00 0.00 -0.08 0.99 3.38 -1.57 -3.47 115.31 114.56 2aal h LEU 57 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2aal h LEU 57 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 2aal h LEU 57 CO 0.10 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.24 2aal n GLY 58 N 0.63 1.38 3.61 0.83 0.00 -1.26 -5.06 105.19 105.31 2aal n GLY 58 Ca 0.03 -0.25 -0.39 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.08 3.25 -0.81 1.61 4.12 -1.26 -5.03 117.35 117.15 2aal s TYR 59 Ca 0.00 0.36 -0.25 0.00 0.02 0.00 0.00 57.07 57.20 2aal s TYR 59 Cb 0.00 -2.52 0.04 0.00 -1.52 0.00 0.00 41.96 37.96 2aal s TYR 59 CO 0.00 -0.19 1.29 0.20 0.02 0.00 0.00 175.55 176.87 2aal s GLY 60 N 1.60 1.06 0.39 0.71 0.00 -1.26 -4.80 107.32 105.03 2aal s GLY 60 Ca 0.13 -1.69 -0.11 0.00 0.00 0.00 0.00 44.72 43.05 2aal s GLY 60 CO 0.10 2.58 0.77 0.50 0.00 0.00 0.00 173.10 177.05 2aal s ARG 61 N 5.28 3.82 0.31 2.90 1.81 -1.26 -4.61 118.95 127.21 2aal s ARG 61 Ca 0.37 0.51 0.04 0.00 -1.72 0.00 0.00 55.73 54.93 2aal s ARG 61 Cb -0.07 -2.39 -0.02 0.00 -0.45 0.00 0.00 34.95 32.03 2aal s ARG 61 CO 0.07 -0.01 0.15 -1.13 -0.68 0.00 0.00 175.30 173.70 2aal n SER 62 N -1.15 0.70 0.00 0.23 3.41 -1.26 -5.02 113.62 110.53 2aal n SER 62 Ca 0.03 -2.74 0.09 0.00 -0.26 0.00 0.00 58.87 55.98 2aal n SER 62 Cb 0.54 0.96 0.45 0.00 -0.26 0.00 0.00 64.21 65.90 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 -0.01 4.04 3.41 -1.26 -1.53 113.62 116.56 2aal n SER 63 Ca -0.02 0.06 0.16 0.00 -0.26 0.00 0.00 58.87 58.81 2aal n SER 63 Cb 0.49 -0.30 0.92 0.00 -0.26 0.00 0.00 64.21 65.05 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 -1.30 2.66 -1.60 7.33 0.00 -1.26 -4.49 120.51 121.85 2aal n ALA 64 Ca 0.08 -0.20 -0.45 0.00 0.00 0.00 0.00 53.44 52.88 2aal n ALA 64 Cb 0.15 -1.51 -0.02 0.00 0.00 0.00 0.00 19.45 18.07 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 -1.02 1.71 -4.19 0.00 3.14 -0.58 -4.94 118.33 112.44 2aal n VAL 65 Ca 0.23 -0.43 -0.32 0.00 -2.96 0.00 0.00 64.34 60.86 2aal n VAL 65 Cb 0.13 -1.07 -0.16 0.00 -1.06 0.00 0.00 33.84 31.68 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 -0.82 1.89 -0.23 1.55 1.01 0.82 -4.27 120.40 120.36 2aal s VAL 66 Ca 0.62 -0.84 -0.08 0.00 0.00 0.00 0.00 61.98 61.67 2aal s VAL 66 Cb -0.71 -1.72 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 2aal s VAL 66 CO 0.58 0.51 0.10 -0.22 0.00 0.00 0.00 175.10 176.07 2aal s LEU 67 N 1.26 3.77 -0.15 3.92 2.96 -0.69 -1.15 118.68 128.61 2aal s LEU 67 Ca 0.03 -0.02 0.01 0.00 -0.22 0.00 0.00 54.13 53.93 2aal s LEU 67 Cb -0.13 -2.00 0.00 0.00 0.50 0.00 0.00 46.19 44.56 2aal s LEU 67 CO -0.10 0.05 -0.18 -0.22 -1.32 0.00 0.00 176.35 174.59 2aal s LEU 68 N 1.10 2.36 -0.13 -0.68 2.96 0.39 -0.17 118.68 124.51 2aal s LEU 68 Ca 0.05 -0.51 0.00 0.00 -0.22 0.00 0.00 54.13 53.46 2aal s LEU 68 Cb -0.14 -1.52 -0.01 0.00 0.50 0.00 0.00 46.19 45.02 2aal s LEU 68 CO 0.04 0.09 -0.14 0.42 -1.32 0.00 0.00 176.35 175.44 2aal s THR 69 N 0.76 2.93 -0.11 3.68 -4.23 0.37 -0.85 115.64 118.19 2aal s THR 69 Ca -0.07 -0.71 0.02 0.00 -1.18 0.00 0.00 61.69 59.75 2aal s THR 69 Cb -0.16 -2.22 -0.01 0.00 1.34 0.00 0.00 72.50 71.46 2aal s THR 69 CO 0.00 0.53 -0.18 -0.69 -0.54 0.00 0.00 174.62 173.74 2aal s VAL 70 N 0.34 2.65 -0.17 2.29 1.01 0.08 0.09 120.40 126.68 2aal s VAL 70 Ca -0.12 -0.82 -0.05 0.00 0.00 0.00 0.00 61.98 61.00 2aal s VAL 70 Cb -0.16 -2.07 -0.03 0.00 0.00 0.00 0.00 36.38 34.12 2aal s VAL 70 CO 0.06 0.54 -0.00 -0.63 0.00 0.00 0.00 175.10 175.07 2aal s ILE 71 N 0.22 4.13 -0.06 2.22 1.01 -0.27 -1.18 121.20 127.26 2aal s ILE 71 Ca -0.11 -0.27 -0.15 0.00 0.00 0.00 0.00 60.65 60.12 2aal s ILE 71 Cb -0.16 -2.84 0.03 0.00 0.01 0.00 0.00 42.46 39.51 2aal s ILE 71 CO 0.06 0.47 0.36 -0.55 0.00 0.00 0.00 174.94 175.28 2aal s SER 72 N 0.49 -0.29 0.83 3.58 0.15 -0.53 -0.89 113.70 117.03 2aal s SER 72 Ca -0.01 0.37 -0.11 0.00 0.70 0.00 0.00 55.95 56.89 2aal s SER 72 Cb -0.14 0.49 0.09 0.00 -1.71 0.00 0.00 66.02 64.75 2aal s SER 72 CO 0.02 -0.35 1.10 -0.13 1.20 0.00 0.00 173.24 175.08 2aal s ARG 73 N -0.78 1.81 0.22 5.44 0.52 -1.26 -0.97 118.95 123.93 2aal s ARG 73 Ca -0.09 1.11 -0.32 0.00 -0.52 0.00 0.00 55.73 55.92 2aal s ARG 73 Cb -0.04 -1.85 -0.12 0.00 0.52 0.00 0.00 34.95 33.46 2aal s ARG 73 CO 0.03 -1.94 1.68 -2.30 0.02 0.00 0.00 175.30 172.80 2aal n PRO 74 N -3.72 2.69 -4.44 3.54 -0.02 -1.24 -4.81 135.00 127.00 2aal n PRO 74 Ca 0.09 0.97 -0.25 0.00 -2.02 0.00 0.00 63.50 62.28 2aal n PRO 74 Cb 0.53 -2.79 -0.10 0.00 -0.02 0.00 0.00 33.50 31.12 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 0.84 1.68 0.78 -0.52 1.81 -1.26 -5.12 118.95 117.15 2aal s ARG 75 Ca 0.74 -1.65 -0.11 0.00 -1.72 0.00 0.00 55.73 52.99 2aal s ARG 75 Cb -0.52 -1.83 0.06 0.00 -0.45 0.00 0.00 34.95 32.20 2aal s ARG 75 CO 0.36 0.36 1.09 -1.54 -0.68 0.00 0.00 175.30 174.89 2aal s SER 76 N -3.21 4.50 0.25 0.23 1.04 -1.26 -4.84 113.70 110.41 2aal s SER 76 Ca 0.27 1.78 -0.05 0.00 0.48 0.00 0.00 55.95 58.43 2aal s SER 76 Cb -0.06 -2.49 0.32 0.00 0.10 0.00 0.00 66.02 63.89 2aal s SER 76 CO 0.14 -2.03 1.90 -0.08 0.98 0.00 0.00 173.24 174.14 2aal h GLU 77 N -1.13 1.18 -0.25 4.02 4.81 -2.00 -1.54 114.58 119.67 2aal h GLU 77 Ca -0.44 -0.07 0.06 0.00 -0.13 0.00 0.00 59.36 58.78 2aal h GLU 77 Cb 1.23 -0.27 -0.07 0.00 0.63 0.00 0.00 28.75 30.28 2aal h GLU 77 CO 0.52 0.78 -0.21 0.93 -0.73 0.00 0.00 179.01 180.30 2aal h GLU 78 N 1.21 -0.20 -0.80 1.92 4.39 -1.99 -0.72 114.58 118.40 2aal h GLU 78 Ca 0.39 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 60.09 2aal h GLU 78 Cb 0.02 0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 28.68 2aal h GLU 78 CO -0.13 -0.13 0.44 1.96 -1.16 0.00 0.00 179.01 179.99 2aal h GLN 79 N -0.20 1.10 -0.40 2.33 4.20 -1.78 -0.67 115.11 119.68 2aal h GLN 79 Ca 0.14 -0.12 -0.05 0.00 0.06 0.00 0.00 58.65 58.68 2aal h GLN 79 Cb 0.42 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 27.96 2aal h GLN 79 CO -0.37 0.80 0.04 0.87 -0.67 0.00 0.00 178.83 179.50 2aal h LYS 80 N 1.11 0.68 -0.30 1.46 1.57 -0.88 -0.08 116.57 120.14 2aal h LYS 80 Ca 0.28 -0.20 -0.06 0.00 -1.87 0.00 0.00 60.65 58.80 2aal h LYS 80 Cb 0.01 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 2aal h LYS 80 CO -0.05 0.74 -0.07 0.28 -0.57 0.00 0.00 179.45 179.79 2aal h VAL 81 N 0.53 1.28 -0.25 0.50 2.07 -0.99 -1.09 116.25 118.30 2aal h VAL 81 Ca 0.12 -1.09 0.06 0.00 0.82 0.00 0.00 66.70 66.61 2aal h VAL 81 Cb 0.41 1.38 -0.06 0.00 -1.52 0.00 0.00 31.29 31.49 2aal h VAL 81 CO 0.01 0.35 -0.16 0.00 0.02 0.00 0.00 177.57 177.79 2aal h PHE 83 N -0.14 0.48 -0.58 0.00 3.57 -0.23 0.11 116.94 120.15 2aal h PHE 83 Ca 0.14 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.59 2aal h PHE 83 Cb 0.35 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.95 2aal h PHE 83 CO -0.33 0.15 0.06 1.88 -2.23 0.00 0.00 178.31 177.83 2aal h TYR 84 N 0.48 1.07 -0.06 0.41 0.05 -0.89 0.13 116.97 118.17 2aal h TYR 84 Ca 0.32 -0.16 -0.00 0.00 0.05 0.00 0.00 58.73 58.93 2aal h TYR 84 Cb 0.37 -0.29 -0.00 0.00 1.01 0.00 0.00 36.73 37.83 2aal h TYR 84 CO -0.14 0.94 0.02 0.87 -1.05 0.00 0.00 178.16 178.79 2aal h LYS 85 N 0.89 0.09 -0.66 4.88 1.57 -1.16 -2.49 116.57 119.68 2aal h LYS 85 Ca 0.17 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 2aal h LYS 85 Cb 0.47 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.74 2aal h LYS 85 CO 0.02 0.26 0.37 -0.07 -0.57 0.00 0.00 179.45 179.46 2aal h LEU 86 N -0.10 0.81 -0.03 2.94 4.07 -0.45 -0.74 115.31 121.80 2aal h LEU 86 Ca 0.02 -0.06 -0.00 0.00 0.08 0.00 0.00 57.88 57.92 2aal h LEU 86 Cb 0.21 -0.20 -0.00 0.00 1.08 0.00 0.00 40.66 41.75 2aal h LEU 86 CO -0.00 0.64 0.00 0.25 -1.08 0.00 0.00 178.44 178.26 2aal h LEU 87 N 0.92 0.04 -0.96 1.67 5.85 -0.71 0.14 115.31 122.26 2aal h LEU 87 Ca 0.24 -0.29 -0.10 0.00 0.84 0.00 0.00 57.88 58.57 2aal h LEU 87 Cb 0.01 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 2aal h LEU 87 CO -0.04 0.32 -0.31 0.71 -0.34 0.00 0.00 178.44 178.79 2aal h THR 88 N -0.24 1.27 -0.22 1.05 1.35 -1.30 -0.88 112.91 113.94 2aal h THR 88 Ca 0.01 -1.33 -0.01 0.00 -0.55 0.00 0.00 66.41 64.52 2aal h THR 88 Cb 0.30 1.47 -0.01 0.00 -1.73 0.00 0.00 68.15 68.18 2aal h THR 88 CO 0.00 0.41 0.09 1.23 -0.25 0.00 0.00 175.52 177.00 2aal h GLY 89 N 1.06 0.36 1.00 5.82 0.00 -0.87 -1.00 103.07 109.44 2aal h GLY 89 Ca 0.04 -0.20 0.01 0.00 0.00 0.00 0.00 47.33 47.18 2aal h GLY 89 CO 0.05 0.18 0.33 0.00 0.00 0.00 0.00 176.54 177.11 2aal h ALA 90 N 0.93 0.64 -0.27 3.60 0.00 -0.80 -1.51 119.26 121.84 2aal h ALA 90 Ca 0.07 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 2aal h ALA 90 Cb 0.18 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2aal h ALA 90 CO -0.01 0.07 -0.30 -0.07 0.00 0.00 0.00 179.25 178.95 2aal h LEU 91 N 0.67 0.56 0.35 0.00 3.38 -1.03 0.99 115.31 120.22 2aal h LEU 91 Ca 0.18 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 2aal h LEU 91 Cb -0.07 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.53 2aal h LEU 91 CO -0.04 0.83 -0.17 -0.08 0.09 0.00 0.00 178.44 179.07 2aal h GLU 92 N 0.47 -0.45 -0.19 1.13 4.81 -1.06 -1.64 114.58 117.66 2aal h GLU 92 Ca 0.06 0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 2aal h GLU 92 Cb 0.75 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.22 2aal h GLU 92 CO 0.06 -0.14 0.09 0.00 -0.73 0.00 0.00 179.01 178.29 2aal h ARG 93 N -0.79 0.27 0.00 1.92 3.08 -1.13 -0.34 114.38 117.40 2aal h ARG 93 Ca -0.05 -0.04 -0.18 0.00 0.07 0.00 0.00 59.98 59.78 2aal h ARG 93 Cb 0.52 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.49 2aal h ARG 93 CO 0.08 0.31 -0.93 -0.44 -1.07 0.00 0.00 179.97 177.91 2aal h ASP 94 N 0.17 0.00 0.00 7.04 3.32 -0.93 -3.40 116.42 122.62 2aal h ASP 94 Ca 0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 2aal h ASP 94 Cb 0.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.68 2aal h ASP 94 CO -0.01 0.79 0.00 0.00 -1.72 0.00 0.00 179.24 178.30 2aal n GLY 96 N 0.53 0.05 3.69 0.00 0.00 -0.14 -4.96 105.19 104.36 2aal n GLY 96 Ca 0.00 -0.40 -0.38 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.57 5.22 0.38 -0.61 1.01 -0.78 -4.96 121.20 118.89 2aal s ILE 97 Ca 0.00 0.72 -0.27 0.00 0.00 0.00 0.00 60.65 61.10 2aal s ILE 97 Cb 0.00 -3.73 -0.09 0.00 0.01 0.00 0.00 42.46 38.65 2aal s ILE 97 CO 0.00 0.29 1.27 -0.55 0.00 0.00 0.00 174.94 175.95 2aal s SER 98 N 0.87 6.52 0.39 3.58 0.15 -1.26 -2.99 113.70 120.97 2aal s SER 98 Ca 0.20 2.59 0.26 0.00 0.70 0.00 0.00 55.95 59.71 2aal s SER 98 Cb -0.14 -2.64 1.44 0.00 -1.71 0.00 0.00 66.02 62.96 2aal s SER 98 CO 0.08 -0.70 1.81 -0.65 1.20 0.00 0.00 173.24 174.98 2aal h PRO 99 N 2.93 0.00 0.00 5.44 0.11 -1.97 0.40 132.00 138.91 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 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2aal h PRO 99 CO 0.64 0.00 0.00 -0.44 -0.21 0.00 0.00 178.00 177.99 2aal h ASP 100 N 0.00 0.00 -0.59 -2.05 5.19 -1.90 -3.14 116.42 113.93 2aal h ASP 100 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2aal h ASP 100 Cb 0.01 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.52 2aal h ASP 100 CO 0.00 0.00 0.00 0.47 -3.12 0.00 0.00 179.24 176.59 2aal n ASP 101 N -2.50 4.70 -4.13 6.45 8.00 0.13 -4.50 116.55 124.70 2aal n ASP 101 Ca 0.02 -2.53 -0.32 0.00 0.71 0.00 0.00 54.79 52.68 2aal n ASP 101 Cb 0.28 -0.59 -0.16 0.00 -0.02 0.00 0.00 41.12 40.62 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 -2.03 1.93 -0.06 2.53 1.01 -1.19 -0.13 120.40 122.45 2aal s VAL 102 Ca 0.48 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 61.60 2aal s VAL 102 Cb 0.33 -1.72 0.01 0.00 0.00 0.00 0.00 36.38 34.99 2aal s VAL 102 CO 0.21 0.52 -0.13 -0.63 0.00 0.00 0.00 175.10 175.07 2aal s ILE 103 N 0.99 1.16 -0.03 2.22 1.01 -0.30 -5.00 121.20 121.25 2aal s ILE 103 Ca -0.04 -0.50 0.04 0.00 0.00 0.00 0.00 60.65 60.15 2aal s ILE 103 Cb -0.15 -1.05 -0.00 0.00 0.01 0.00 0.00 42.46 41.27 2aal s ILE 103 CO -0.05 0.36 -0.16 -0.69 0.00 0.00 0.00 174.94 174.40 2aal s VAL 104 N 0.58 1.32 -0.04 2.92 1.01 -1.26 -0.46 120.40 124.46 2aal s VAL 104 Ca -0.13 -0.67 0.02 0.00 0.00 0.00 0.00 61.98 61.20 2aal s VAL 104 Cb -0.15 -1.13 0.01 0.00 0.00 0.00 0.00 36.38 35.11 2aal s VAL 104 CO 0.04 0.38 -0.10 0.00 0.00 0.00 0.00 175.10 175.42 2aal s ALA 105 N -0.02 1.02 -0.07 5.51 0.00 -0.03 -4.99 121.76 123.18 2aal s ALA 105 Ca -0.02 -0.34 0.05 0.00 0.00 0.00 0.00 51.96 51.65 2aal s ALA 105 Cb -0.10 -0.44 -0.01 0.00 0.00 0.00 0.00 23.12 22.57 2aal s ALA 105 CO 0.01 0.12 -0.22 -1.17 0.00 0.00 0.00 175.76 174.50 2aal s LEU 106 N 0.46 2.25 0.10 0.00 0.20 -1.26 -0.74 118.68 119.69 2aal s LEU 106 Ca -0.09 -0.44 0.08 0.00 0.69 0.00 0.00 54.13 54.37 2aal s LEU 106 Cb -0.12 -1.43 -0.03 0.00 -0.43 0.00 0.00 46.19 44.17 2aal s LEU 106 CO 0.02 0.24 -0.21 0.68 -0.29 0.00 0.00 176.35 176.80 2aal s VAL 107 N -0.15 1.68 0.05 1.68 -7.23 -0.33 -4.96 120.40 111.14 2aal s VAL 107 Ca -0.03 -1.51 0.06 0.00 -1.81 0.00 0.00 61.98 58.69 2aal s VAL 107 Cb -0.14 -1.53 -0.04 0.00 0.56 0.00 0.00 36.38 35.24 2aal s VAL 107 CO 0.04 -0.05 -0.12 -1.61 -0.31 0.00 0.00 175.10 173.05 2aal s GLU 108 N -1.85 2.24 0.00 4.82 2.02 -1.26 -1.45 118.70 123.22 2aal s GLU 108 Ca 0.06 -0.91 0.00 0.00 0.02 0.00 0.00 54.97 54.14 2aal s GLU 108 Cb -0.10 -2.33 0.00 0.00 0.10 0.00 0.00 34.13 31.80 2aal s GLU 108 CO 0.04 0.55 0.00 0.27 0.02 0.00 0.00 175.26 176.14 2aal n ASN 109 N 1.25 0.00 -1.28 -0.19 0.23 -0.15 -4.90 115.26 110.23 2aal n ASN 109 Ca -0.15 0.00 -0.02 0.00 -0.53 0.00 0.00 54.58 53.88 2aal n ASN 109 Cb 0.52 0.00 -0.01 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 0.00 -0.14 -0.35 0.53 2.88 -1.26 -3.73 113.62 111.55 2aal n SER 110 Ca 0.00 -1.27 0.11 0.00 -1.33 0.00 0.00 58.87 56.38 2aal n SER 110 Cb 0.00 0.28 0.29 0.00 -0.75 0.00 0.00 64.21 64.04 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 0.27 0.76 0.35 -3.46 5.19 -2.00 -1.53 116.42 116.01 2aal h ASP 111 Ca -0.03 0.09 0.00 0.00 -0.62 0.00 0.00 57.03 56.47 2aal h ASP 111 Cb 0.16 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 39.62 2aal h ASP 111 CO 0.05 0.30 0.00 0.00 -3.12 0.00 0.00 179.24 176.46 2aal n ALA 112 N -2.35 2.49 -0.70 3.45 0.00 -1.26 -4.17 120.51 117.98 2aal n ALA 112 Ca 0.22 -0.15 0.09 0.00 0.00 0.00 0.00 53.44 53.59 2aal n ALA 112 Cb 0.52 -1.48 0.36 0.00 0.00 0.00 0.00 19.45 18.86 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 -1.19 4.93 -4.00 0.00 8.00 -0.57 -4.87 116.55 118.85 2aal n ASP 113 Ca 0.17 -2.57 -0.19 0.00 0.71 0.00 0.00 54.79 52.91 2aal n ASP 113 Cb 0.19 -0.60 -0.15 0.00 -0.02 0.00 0.00 41.12 40.54 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 -2.07 0.78 -0.21 1.24 0.52 -1.26 -4.95 118.94 112.99 2aal s TRP 114 Ca 0.51 -0.17 -0.01 0.00 0.02 0.00 0.00 56.10 56.45 2aal s TRP 114 Cb 0.35 -0.54 0.06 0.00 -1.15 0.00 0.00 33.47 32.19 2aal s TRP 114 CO 0.22 -0.05 0.00 0.45 0.02 0.00 0.00 176.95 177.60 2aal s SER 115 N -0.01 3.29 0.29 2.95 0.15 -1.26 -4.15 113.70 114.95 2aal s SER 115 Ca 0.00 -0.97 0.24 0.00 0.70 0.00 0.00 55.95 55.93 2aal s SER 115 Cb -0.05 -0.82 0.47 0.00 -1.71 0.00 0.00 66.02 63.90 2aal s SER 115 CO -0.00 -0.28 1.57 -0.26 1.20 0.00 0.00 173.24 175.46 2aal h PHE 116 N 8.13 0.00 0.00 3.44 0.04 -1.99 -3.48 116.94 123.08 2aal h PHE 116 Ca -0.17 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.60 2aal h PHE 116 Cb 1.10 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.25 2aal h PHE 116 CO 0.37 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.49 2aal n GLY 117 N 1.22 0.78 2.64 -1.45 0.00 -1.26 -5.01 105.19 102.10 2aal n GLY 117 Ca 0.04 -0.64 -0.13 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.06 -1.43 -1.95 1.61 1.74 -1.26 -1.77 116.66 113.55 2aal n ARG 118 Ca 0.00 0.96 -0.18 0.00 -0.77 0.00 0.00 57.85 57.86 2aal n ARG 118 Cb 0.00 -5.26 -0.04 0.00 -1.02 0.00 0.00 32.46 26.14 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 -0.34 0.64 3.91 -0.13 0.00 -1.26 -5.00 105.19 103.01 2aal n GLY 119 Ca -0.13 -0.14 -0.31 0.00 0.00 0.00 0.00 46.02 45.43 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 -4.24 3.52 -0.84 1.61 0.52 -0.73 -5.05 118.95 113.74 2aal s ARG 120 Ca 0.00 -0.28 -0.09 0.00 -0.52 0.00 0.00 55.73 54.84 2aal s ARG 120 Cb 0.00 -2.94 0.22 0.00 0.52 0.00 0.00 34.95 32.74 2aal s ARG 120 CO 0.00 0.54 0.75 0.00 0.02 0.00 0.00 175.30 176.61 2aal s ALA 121 N -1.59 4.11 0.52 2.13 0.00 -1.26 -3.97 121.76 121.69 2aal s ALA 121 Ca 0.38 -3.48 0.24 0.00 0.00 0.00 0.00 51.96 49.09 2aal s ALA 121 Cb -0.12 -3.23 1.49 0.00 0.00 0.00 0.00 23.12 21.25 2aal s ALA 121 CO 0.26 -2.21 2.15 0.93 0.00 0.00 0.00 175.76 176.90 2aal h GLU 122 N 7.14 0.00 0.00 0.00 3.07 -1.90 -0.39 114.58 122.51 2aal h GLU 122 Ca 0.10 0.00 -0.14 0.00 -0.50 0.00 0.00 59.36 58.82 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 0.80 0.06 -0.67 0.74 -1.40 0.00 0.00 179.01 178.53 2aal h PHE 123 N 0.00 0.00 0.12 4.33 0.04 -1.76 -0.60 116.94 119.07 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 0.12 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.27 2aal h PHE 123 CO 0.00 0.67 -1.24 -0.07 -0.60 0.00 0.00 178.31 177.07 2aal h LEU 124 N 0.00 0.38 -0.17 1.54 3.38 -1.29 -3.29 115.31 115.86 2aal h LEU 124 Ca -0.01 -0.42 -0.00 0.00 0.09 0.00 0.00 57.88 57.55 2aal h LEU 124 Cb 1.25 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.88 2aal h LEU 124 CO 0.09 1.33 -0.00 0.71 0.09 0.00 0.00 178.44 180.65 2aal h THR 125 N 0.07 0.01 0.00 0.22 1.35 -1.19 -3.48 112.91 109.89 2aal h THR 125 Ca -0.13 -0.96 0.00 0.00 -0.55 0.00 0.00 66.41 64.77 2aal h THR 125 Cb 1.96 1.95 0.00 0.00 -1.73 0.00 0.00 68.15 70.33 2aal h THR 125 CO 0.19 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.08 2aal n GLY 126 N 0.98 0.64 0.23 5.82 0.00 -0.49 -4.92 105.19 107.44 2aal n GLY 126 Ca 0.04 -0.31 0.10 0.00 0.00 0.00 0.00 46.02 45.85 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 -4.40 1.61 3.32 -1.48 -3.42 116.42 112.05 2aal h ASP 127 Ca 0.00 0.00 -0.45 0.00 0.02 0.00 0.00 57.03 56.60 2aal h ASP 127 Cb 0.00 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 39.33 2aal h ASP 127 CO 0.00 0.22 -0.79 -0.76 -1.72 0.00 0.00 179.24 176.19 2aal s LEU 128 N -6.93 2.26 0.00 1.55 1.43 -0.79 -5.03 118.68 111.17 2aal s LEU 128 Ca -0.00 -0.60 0.28 0.00 -1.03 0.00 0.00 54.13 52.77 2aal s LEU 128 Cb 0.11 -0.61 0.95 0.00 0.03 0.00 0.00 46.19 46.68 2aal s LEU 128 CO 0.63 -0.03 1.69 0.52 0.23 0.00 0.00 176.35 179.39