#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a10 s ARG 3 N 0.00 2.82 -0.07 1.97 3.52 -1.26 -1.46 118.95 124.47 3a10 s ARG 3 Ca 0.00 -0.80 0.04 0.00 -0.13 0.00 0.00 55.73 54.84 3a10 s ARG 3 Cb 0.00 -2.35 0.00 0.00 -1.56 0.00 0.00 34.95 31.04 3a10 s ARG 3 CO 0.00 0.37 -0.19 0.42 -0.81 0.00 0.00 175.30 175.09 3a10 s ILE 4 N -0.10 1.61 -0.26 4.11 1.01 -0.19 -0.75 121.20 126.63 3a10 s ILE 4 Ca -0.04 -0.78 -0.16 0.00 0.00 0.00 0.00 60.65 59.67 3a10 s ILE 4 Cb -0.14 -1.40 -0.03 0.00 0.01 0.00 0.00 42.46 40.90 3a10 s ILE 4 CO 0.04 0.46 0.42 -0.22 0.00 0.00 0.00 174.94 175.64 3a10 s LEU 5 N 0.27 4.06 -0.25 2.97 2.96 -0.66 -1.61 118.68 126.42 3a10 s LEU 5 Ca -0.11 0.40 -0.07 0.00 -0.22 0.00 0.00 54.13 54.13 3a10 s LEU 5 Cb -0.15 -2.51 -0.03 0.00 0.50 0.00 0.00 46.19 44.00 3a10 s LEU 5 CO 0.05 -0.20 0.06 -0.69 -1.32 0.00 0.00 176.35 174.25 3a10 s VAL 6 N 2.02 4.26 -0.21 1.68 1.01 0.34 -0.83 120.40 128.66 3a10 s VAL 6 Ca 0.18 -0.19 0.01 0.00 0.00 0.00 0.00 61.98 61.98 3a10 s VAL 6 Cb -0.16 -2.99 0.03 0.00 0.00 0.00 0.00 36.38 33.27 3a10 s VAL 6 CO 0.09 0.35 -0.16 -0.69 0.00 0.00 0.00 175.10 174.69 3a10 s VAL 7 N 1.58 2.17 -0.19 2.92 1.01 -0.10 -1.27 120.40 126.52 3a10 s VAL 7 Ca 0.06 -1.17 -0.24 0.00 0.00 0.00 0.00 61.98 60.63 3a10 s VAL 7 Cb -0.15 -2.05 0.06 0.00 0.00 0.00 0.00 36.38 34.25 3a10 s VAL 7 CO 0.03 0.33 0.64 -0.62 0.00 0.00 0.00 175.10 175.48 3a10 s ASP 8 N 1.23 -0.65 0.39 3.32 -1.08 -0.90 -1.14 116.67 117.84 3a10 s ASP 8 Ca 0.00 1.12 0.25 0.00 -0.52 0.00 0.00 52.55 53.40 3a10 s ASP 8 Cb -0.16 1.10 0.65 0.00 -1.46 0.00 0.00 42.92 43.05 3a10 s ASP 8 CO -0.10 -0.32 1.71 -2.24 0.52 0.00 0.00 175.17 174.74 3a10 h ASP 9 N 4.59 0.00 -3.58 -0.34 2.03 -1.83 -3.39 116.42 113.89 3a10 h ASP 9 Ca -0.28 0.00 -0.64 0.00 -0.73 0.00 0.00 57.03 55.38 3a10 h ASP 9 Cb 1.16 0.00 -0.14 0.00 -0.83 0.00 0.00 39.33 39.52 3a10 h ASP 9 CO 0.17 0.00 0.10 -1.61 -1.03 0.00 0.00 179.24 176.88 3a10 s GLU 10 N -3.26 3.54 0.28 4.15 2.02 -1.26 -4.96 118.70 119.21 3a10 s GLU 10 Ca 0.07 -0.12 -0.01 0.00 0.02 0.00 0.00 54.97 54.92 3a10 s GLU 10 Cb 0.08 -3.85 0.45 0.00 0.10 0.00 0.00 34.13 30.90 3a10 s GLU 10 CO 0.62 -0.81 1.90 -1.00 0.02 0.00 0.00 175.26 176.00 3a10 h PRO 11 N 8.59 1.10 0.00 0.39 0.13 -1.98 -0.57 132.00 139.66 3a10 h PRO 11 Ca -0.26 -0.07 -0.07 0.00 -0.87 0.00 0.00 66.00 64.73 3a10 h PRO 11 Cb 1.11 -0.25 -0.01 0.00 0.13 0.00 0.00 31.00 31.98 3a10 h PRO 11 CO 0.84 0.73 -0.34 -0.91 -0.23 0.00 0.00 178.00 178.09 3a10 h ASN 12 N 1.13 0.00 -0.00 1.44 2.35 -1.98 -1.44 115.58 117.08 3a10 h ASN 12 Ca 0.40 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.97 3a10 h ASN 12 Cb 0.13 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.52 3a10 h ASN 12 CO -0.15 0.34 -0.70 0.40 -1.65 0.00 0.00 177.43 175.68 3a10 h ILE 13 N 0.00 1.39 -0.45 2.81 1.08 -1.75 -1.94 117.51 118.65 3a10 h ILE 13 Ca -0.00 -2.11 0.09 0.00 -0.39 0.00 0.00 64.86 62.45 3a10 h ILE 13 Cb 0.76 2.53 -0.09 0.00 -3.07 0.00 0.00 36.82 36.95 3a10 h ILE 13 CO 0.04 0.62 -0.14 0.03 -0.69 0.00 0.00 178.15 178.02 3a10 h ARG 14 N 0.02 -0.03 -0.38 2.37 3.08 -0.97 0.54 114.38 119.01 3a10 h ARG 14 Ca -0.09 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.00 3a10 h ARG 14 Cb 1.40 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 31.42 3a10 h ARG 14 CO 0.14 -0.02 0.19 1.49 -1.07 0.00 0.00 179.97 180.70 3a10 h GLU 15 N -0.03 0.38 -0.06 0.04 4.81 -1.27 0.24 114.58 118.69 3a10 h GLU 15 Ca 0.22 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.43 3a10 h GLU 15 Cb 0.37 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.66 3a10 h GLU 15 CO -0.49 0.25 0.04 1.25 -0.73 0.00 0.00 179.01 179.33 3a10 h LEU 16 N 0.39 0.07 -0.79 1.64 5.85 -0.95 -1.13 115.31 120.39 3a10 h LEU 16 Ca 0.16 -0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.81 3a10 h LEU 16 Cb 0.07 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 3a10 h LEU 16 CO -0.12 0.09 0.32 -0.07 -0.34 0.00 0.00 178.44 178.32 3a10 h LEU 17 N 0.06 1.09 -0.18 2.25 3.38 -0.58 -0.93 115.31 120.40 3a10 h LEU 17 Ca 0.02 -0.17 0.02 0.00 0.09 0.00 0.00 57.88 57.84 3a10 h LEU 17 Cb 0.02 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 3a10 h LEU 17 CO -0.00 0.97 0.06 0.50 0.09 0.00 0.00 178.44 180.05 3a10 h LYS 18 N 1.15 0.14 -0.50 1.13 3.64 -0.81 -0.99 116.57 120.33 3a10 h LYS 18 Ca 0.26 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.66 3a10 h LYS 18 Cb 0.22 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.97 3a10 h LYS 18 CO -0.02 0.09 0.29 0.93 -2.27 0.00 0.00 179.45 178.47 3a10 h GLU 19 N 0.15 0.56 -0.57 1.90 5.08 -0.82 -1.24 114.58 119.64 3a10 h GLU 19 Ca 0.08 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.33 3a10 h GLU 19 Cb 0.05 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 3a10 h GLU 19 CO -0.08 0.37 0.08 0.93 -1.00 0.00 0.00 179.01 179.31 3a10 h GLU 20 N 0.58 0.93 0.06 2.33 4.39 -0.94 -2.54 114.58 119.39 3a10 h GLU 20 Ca 0.20 -0.23 -0.25 0.00 0.34 0.00 0.00 59.36 59.42 3a10 h GLU 20 Cb 0.03 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.55 3a10 h GLU 20 CO -0.10 0.87 -1.20 -0.07 -1.16 0.00 0.00 179.01 177.35 3a10 h LEU 21 N 0.88 0.20 -1.19 1.33 3.38 -1.06 -3.08 115.31 115.76 3a10 h LEU 21 Ca 0.18 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 57.93 3a10 h LEU 21 Cb 0.40 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 3a10 h LEU 21 CO 0.01 1.18 0.54 1.56 0.09 0.00 0.00 178.44 181.82 3a10 h GLN 22 N 0.03 1.07 -0.09 1.13 4.20 -1.15 -1.96 115.11 118.35 3a10 h GLN 22 Ca -0.10 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.51 3a10 h GLN 22 Cb 1.89 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 29.42 3a10 h GLN 22 CO 0.16 0.72 -0.07 1.49 -0.67 0.00 0.00 178.83 180.45 3a10 h GLU 23 N 1.11 0.14 -0.00 1.46 4.81 -1.37 -2.28 114.58 118.44 3a10 h GLU 23 Ca 0.30 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.51 3a10 h GLU 23 Cb -0.12 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.24 3a10 h GLU 23 CO -0.06 0.22 -0.10 0.39 -0.73 0.00 0.00 179.01 178.72 3a10 n GLU 24 N -4.37 0.37 0.00 1.92 -0.58 -0.77 -4.91 120.64 112.30 3a10 n GLU 24 Ca -0.01 -0.09 0.00 0.00 -0.42 0.00 0.00 57.16 56.63 3a10 n GLU 24 Cb 0.20 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.57 3a10 n GLU 24 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3a10 n GLY 25 N 1.36 1.35 3.79 0.62 0.00 -0.86 -5.11 105.19 106.34 3a10 n GLY 25 Ca 0.11 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.88 3a10 n GLY 25 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3a10 s TYR 26 N -2.00 3.11 -0.11 1.61 2.02 -1.02 -4.71 117.35 116.26 3a10 s TYR 26 Ca 0.00 -0.04 -0.18 0.00 -0.37 0.00 0.00 57.07 56.48 3a10 s TYR 26 Cb 0.00 -1.49 -0.04 0.00 -0.40 0.00 0.00 41.96 40.03 3a10 s TYR 26 CO 0.00 0.52 0.46 -2.00 -1.57 0.00 0.00 175.55 172.96 3a10 s GLU 27 N -3.16 4.31 -0.12 -0.62 2.12 -0.54 -4.05 118.70 116.64 3a10 s GLU 27 Ca 0.31 0.42 0.02 0.00 0.36 0.00 0.00 54.97 56.09 3a10 s GLU 27 Cb -0.10 -3.42 0.01 0.00 0.26 0.00 0.00 34.13 30.88 3a10 s GLU 27 CO 0.23 0.20 -0.20 0.42 -0.54 0.00 0.00 175.26 175.37 3a10 s ILE 28 N 0.50 1.89 0.23 -3.70 -1.09 -1.26 -1.03 121.20 116.74 3a10 s ILE 28 Ca 0.25 -0.88 0.09 0.00 -2.23 0.00 0.00 60.65 57.88 3a10 s ILE 28 Cb -0.15 -1.68 -0.04 0.00 -1.58 0.00 0.00 42.46 39.01 3a10 s ILE 28 CO 0.10 0.52 -0.02 -0.62 -1.23 0.00 0.00 174.94 173.69 3a10 s ASP 29 N 0.79 4.56 0.16 3.58 2.15 -0.63 -4.99 116.67 122.28 3a10 s ASP 29 Ca -0.09 -0.57 0.06 0.00 0.43 0.00 0.00 52.55 52.38 3a10 s ASP 29 Cb -0.16 -0.87 -0.04 0.00 -0.30 0.00 0.00 42.92 41.55 3a10 s ASP 29 CO -0.00 0.04 -0.14 0.42 -0.17 0.00 0.00 175.17 175.32 3a10 s THR 30 N -2.09 1.45 -0.01 1.71 -4.23 -1.26 -0.51 115.64 110.71 3a10 s THR 30 Ca 0.29 -1.96 -0.03 0.00 -1.18 0.00 0.00 61.69 58.81 3a10 s THR 30 Cb -0.07 -1.78 -0.00 0.00 1.34 0.00 0.00 72.50 71.98 3a10 s THR 30 CO 0.19 -0.54 0.06 0.00 -0.54 0.00 0.00 174.62 173.79 3a10 s ALA 31 N -2.65 -0.14 -0.95 3.99 0.00 -0.40 -4.89 121.76 116.72 3a10 s ALA 31 Ca 0.15 -0.13 0.21 0.00 0.00 0.00 0.00 51.96 52.19 3a10 s ALA 31 Cb -0.02 0.02 -0.23 0.00 0.00 0.00 0.00 23.12 22.89 3a10 s ALA 31 CO 0.04 -0.13 0.87 -0.85 0.00 0.00 0.00 175.76 175.70 3a10 n GLU 32 N 2.13 0.12 -3.99 0.00 0.28 -1.26 -2.12 120.64 115.80 3a10 n GLU 32 Ca -0.19 -0.01 -0.10 0.00 -0.16 0.00 0.00 57.16 56.70 3a10 n GLU 32 Cb 0.57 -1.49 -0.04 0.00 1.43 0.00 0.00 31.44 31.91 3a10 n GLU 32 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 3a10 s ASN 33 N -3.03 0.16 0.11 -1.84 2.20 -1.26 -3.95 114.94 107.32 3a10 s ASN 33 Ca 0.07 -1.08 -0.16 0.00 -0.94 0.00 0.00 52.86 50.76 3a10 s ASN 33 Cb 0.16 0.65 -0.05 0.00 -2.00 0.00 0.00 41.25 40.01 3a10 s ASN 33 CO 0.86 -1.27 1.51 1.23 -2.94 0.00 0.00 177.10 176.50 3a10 h GLY 34 N 2.17 0.69 0.97 0.45 0.00 -1.83 -0.99 103.07 104.54 3a10 h GLY 34 Ca -0.27 -0.57 -0.01 0.00 0.00 0.00 0.00 47.33 46.49 3a10 h GLY 34 CO 0.36 0.52 0.21 -2.09 0.00 0.00 0.00 176.54 175.54 3a10 h GLU 35 N 0.43 0.54 -0.89 4.80 4.81 -1.94 -1.27 114.58 121.07 3a10 h GLU 35 Ca 0.09 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 3a10 h GLU 35 Cb 0.56 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.79 3a10 h GLU 35 CO 0.03 0.44 0.53 1.49 -0.73 0.00 0.00 179.01 180.77 3a10 h GLU 36 N 0.50 1.21 -0.48 1.92 4.81 -1.96 -1.38 114.58 119.19 3a10 h GLU 36 Ca 0.14 -0.11 0.04 0.00 -0.13 0.00 0.00 59.36 59.29 3a10 h GLU 36 Cb 0.06 -0.25 -0.04 0.00 0.63 0.00 0.00 28.75 29.15 3a10 h GLU 36 CO -0.02 0.85 0.25 0.00 -0.73 0.00 0.00 179.01 179.36 3a10 h ALA 37 N 1.29 0.61 -0.36 2.92 0.00 -0.67 0.16 119.26 123.20 3a10 h ALA 37 Ca 0.32 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.15 3a10 h ALA 37 Cb -0.04 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3a10 h ALA 37 CO -0.06 -0.08 -0.14 -0.07 0.00 0.00 0.00 179.25 178.90 3a10 h LEU 38 N 0.50 0.76 -0.14 0.00 3.38 -0.90 0.10 115.31 119.01 3a10 h LEU 38 Ca 0.21 -0.39 0.02 0.00 0.09 0.00 0.00 57.88 57.80 3a10 h LEU 38 Cb 0.09 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 3a10 h LEU 38 CO -0.13 0.98 0.03 0.11 0.09 0.00 0.00 178.44 179.51 3a10 h LYS 39 N 0.53 0.08 -0.45 1.13 1.57 -0.98 -0.75 116.57 117.71 3a10 h LYS 39 Ca 0.09 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.84 3a10 h LYS 39 Cb 0.67 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.95 3a10 h LYS 39 CO 0.05 0.06 0.20 0.87 -0.57 0.00 0.00 179.45 180.05 3a10 h LYS 40 N 0.09 0.66 -0.07 3.15 1.57 -0.86 -2.55 116.57 118.56 3a10 h LYS 40 Ca 0.06 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 3a10 h LYS 40 Cb 0.05 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.25 3a10 h LYS 40 CO -0.08 0.59 0.00 0.35 -0.57 0.00 0.00 179.45 179.74 3a10 h PHE 41 N 0.58 0.14 -0.41 -1.35 3.04 -0.55 -0.89 116.94 117.50 3a10 h PHE 41 Ca 0.15 -0.02 -0.07 0.00 3.98 0.00 0.00 57.97 62.01 3a10 h PHE 41 Cb 0.16 -0.04 -0.02 0.00 2.56 0.00 0.00 35.95 38.62 3a10 h PHE 41 CO -0.00 0.38 -0.03 0.74 -2.02 0.00 0.00 178.31 177.37 3a10 h PHE 42 N -0.15 0.73 0.00 0.41 0.04 -1.20 -2.74 116.94 114.04 3a10 h PHE 42 Ca 0.02 -0.10 0.00 0.00 2.80 0.00 0.00 57.97 60.69 3a10 h PHE 42 Cb 0.32 -0.20 0.00 0.00 2.20 0.00 0.00 35.95 38.27 3a10 h PHE 42 CO 0.03 0.71 -0.19 0.66 -0.60 0.00 0.00 178.31 178.92 3a10 h SER 43 N 0.64 0.00 -2.22 2.17 4.64 -1.43 -3.47 113.55 113.87 3a10 h SER 43 Ca 0.12 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 3a10 h SER 43 Cb 0.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 3a10 h SER 43 CO 0.02 0.02 0.00 0.61 -0.87 0.00 0.00 176.83 176.61 3a10 n GLY 44 N 1.24 2.64 2.48 -0.77 0.00 -0.34 -5.09 105.19 105.35 3a10 n GLY 44 Ca 0.04 -2.06 -0.12 0.00 0.00 0.00 0.00 46.02 43.88 3a10 n GLY 44 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3a10 n ASN 45 N -0.49 0.63 -4.82 1.61 3.02 -1.26 -4.97 115.26 108.98 3a10 n ASN 45 Ca 0.00 -2.88 -0.34 0.00 -0.03 0.00 0.00 54.58 51.33 3a10 n ASN 45 Cb 0.00 -0.25 -0.07 0.00 -0.61 0.00 0.00 39.78 38.86 3a10 n ASN 45 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3a10 s TYR 46 N -2.31 3.46 -0.07 3.10 2.02 -1.26 -4.91 117.35 117.39 3a10 s TYR 46 Ca 0.31 1.52 0.12 0.00 -0.37 0.00 0.00 57.07 58.66 3a10 s TYR 46 Cb 0.40 -2.75 -0.04 0.00 -0.40 0.00 0.00 41.96 39.16 3a10 s TYR 46 CO -0.02 0.08 1.34 -0.44 -1.57 0.00 0.00 175.55 174.94 3a10 h ASP 47 N 2.52 0.00 -4.48 2.29 3.32 -1.34 -3.48 116.42 115.25 3a10 h ASP 47 Ca -0.48 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.51 3a10 h ASP 47 Cb 1.18 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 40.53 3a10 h ASP 47 CO 0.64 0.67 0.11 -0.22 -1.72 0.00 0.00 179.24 178.72 3a10 s LEU 48 N -6.49 -0.56 -0.08 1.55 2.96 -1.17 -4.28 118.68 110.61 3a10 s LEU 48 Ca 0.02 1.02 0.05 0.00 -0.22 0.00 0.00 54.13 55.00 3a10 s LEU 48 Cb 0.08 2.37 -0.00 0.00 0.50 0.00 0.00 46.19 49.14 3a10 s LEU 48 CO 0.77 -0.41 -0.24 0.54 -1.32 0.00 0.00 176.35 175.70 3a10 s VAL 49 N -0.41 1.99 -0.18 1.68 0.11 -0.30 -1.65 120.40 121.63 3a10 s VAL 49 Ca -0.06 -1.00 -0.03 0.00 -2.93 0.00 0.00 61.98 57.96 3a10 s VAL 49 Cb -0.03 -1.70 -0.02 0.00 -1.53 0.00 0.00 36.38 33.10 3a10 s VAL 49 CO 0.05 0.55 -0.05 -0.63 -3.33 0.00 0.00 175.10 171.68 3a10 s ILE 50 N 0.15 3.50 -0.14 7.04 1.01 -0.01 -1.21 121.20 131.54 3a10 s ILE 50 Ca -0.12 -0.47 -0.00 0.00 0.00 0.00 0.00 60.65 60.05 3a10 s ILE 50 Cb -0.16 -2.55 0.03 0.00 0.01 0.00 0.00 42.46 39.79 3a10 s ILE 50 CO 0.06 0.46 -0.08 -0.76 0.00 0.00 0.00 174.94 174.63 3a10 s LEU 51 N 0.92 1.40 0.71 2.97 1.43 0.62 -0.92 118.68 125.80 3a10 s LEU 51 Ca -0.01 -0.45 -0.15 0.00 -1.03 0.00 0.00 54.13 52.50 3a10 s LEU 51 Cb -0.15 -0.91 0.03 0.00 0.03 0.00 0.00 46.19 45.19 3a10 s LEU 51 CO 0.01 -0.13 1.16 -0.62 0.23 0.00 0.00 176.35 176.99 3a10 s ASP 52 N 1.65 4.53 -0.20 2.29 2.15 -0.29 -0.83 116.67 125.97 3a10 s ASP 52 Ca 0.04 2.18 -0.16 0.00 0.43 0.00 0.00 52.55 55.03 3a10 s ASP 52 Cb -0.13 -2.57 -0.08 0.00 -0.30 0.00 0.00 42.92 39.84 3a10 s ASP 52 CO -0.08 -2.03 -0.29 -0.38 -0.17 0.00 0.00 175.17 172.22 3a10 n ILE 53 N -2.69 1.50 -2.79 4.11 5.41 -1.26 -3.42 119.36 120.22 3a10 n ILE 53 Ca 0.12 0.01 -0.40 0.00 1.00 0.00 0.00 62.75 63.47 3a10 n ILE 53 Cb 0.51 -2.22 -0.05 0.00 -0.71 0.00 0.00 39.64 37.17 3a10 n ILE 53 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 3a10 s GLU 54 N -2.68 4.74 0.02 0.38 2.02 -1.26 -0.54 118.70 121.38 3a10 s GLU 54 Ca -0.29 1.41 -0.21 0.00 0.02 0.00 0.00 54.97 55.89 3a10 s GLU 54 Cb 0.07 -3.32 -0.06 0.00 0.10 0.00 0.00 34.13 30.92 3a10 s GLU 54 CO 0.43 0.40 0.63 -2.14 0.02 0.00 0.00 175.26 174.59 3a10 s PRO 56 N -0.67 4.34 0.73 0.39 0.02 -1.26 -4.67 135.00 133.87 3a10 s PRO 56 Ca 0.42 0.81 0.00 0.00 0.02 0.00 0.00 61.00 62.25 3a10 s PRO 56 Cb -0.24 -3.33 0.00 0.00 0.02 0.00 0.00 34.50 30.94 3a10 s PRO 56 CO 0.30 0.39 0.00 0.41 -0.33 0.00 0.00 177.00 177.77 3a10 n GLY 57 N 2.34 -1.17 3.75 0.52 0.00 -1.26 -4.66 105.19 104.71 3a10 n GLY 57 Ca -0.06 -1.72 -0.41 0.00 0.00 0.00 0.00 46.02 43.82 3a10 n GLY 57 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3a10 n ILE 58 N 0.00 2.36 -1.70 -0.61 -5.35 -1.26 -4.98 119.36 107.82 3a10 n ILE 58 Ca 0.00 -0.50 -0.30 0.00 -0.27 0.00 0.00 62.75 61.68 3a10 n ILE 58 Cb 0.00 -1.82 0.06 0.00 -1.74 0.00 0.00 39.64 36.14 3a10 n ILE 58 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 3a10 s SER 59 N -0.33 5.16 0.55 7.28 1.04 -1.26 -4.38 113.70 121.77 3a10 s SER 59 Ca 0.57 1.32 0.23 0.00 0.48 0.00 0.00 55.95 58.56 3a10 s SER 59 Cb -0.48 -2.14 1.54 0.00 0.10 0.00 0.00 66.02 65.03 3a10 s SER 59 CO 0.61 -1.54 2.19 1.23 0.98 0.00 0.00 173.24 176.70 3a10 h GLY 60 N -0.79 0.00 1.14 7.32 0.00 -0.84 -1.35 103.07 108.55 3a10 h GLY 60 Ca -0.45 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 46.74 3a10 h GLY 60 CO 0.61 0.00 -0.26 1.41 0.00 0.00 0.00 176.54 178.29 3a10 h LEU 61 N 0.00 1.01 -0.32 3.11 3.38 -1.82 0.09 115.31 120.76 3a10 h LEU 61 Ca 0.01 -0.40 -0.02 0.00 0.09 0.00 0.00 57.88 57.56 3a10 h LEU 61 Cb 0.06 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 3a10 h LEU 61 CO -0.00 1.20 0.12 -0.08 0.09 0.00 0.00 178.44 179.77 3a10 h GLU 62 N 0.83 0.48 -0.37 1.13 4.81 -1.68 -2.36 114.58 117.42 3a10 h GLU 62 Ca 0.10 -0.09 0.03 0.00 -0.13 0.00 0.00 59.36 59.27 3a10 h GLU 62 Cb 0.85 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.12 3a10 h GLU 62 CO 0.07 0.50 0.17 0.28 -0.73 0.00 0.00 179.01 179.30 3a10 h VAL 63 N 0.37 0.95 -0.80 0.32 2.07 -1.17 -2.01 116.25 115.97 3a10 h VAL 63 Ca 0.11 -0.12 0.04 0.00 0.82 0.00 0.00 66.70 67.55 3a10 h VAL 63 Cb 0.20 0.58 -0.05 0.00 -1.52 0.00 0.00 31.29 30.50 3a10 h VAL 63 CO -0.01 0.06 0.53 0.00 0.02 0.00 0.00 177.57 178.17 3a10 h ALA 64 N 1.21 1.53 -0.33 1.67 0.00 -0.86 -0.71 119.26 121.75 3a10 h ALA 64 Ca 0.16 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 3a10 h ALA 64 Cb 0.09 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3a10 h ALA 64 CO -0.13 0.38 0.03 0.78 0.00 0.00 0.00 179.25 180.31 3a10 h GLY 65 N 0.97 0.62 0.93 0.00 0.00 -0.86 -1.28 103.07 103.46 3a10 h GLY 65 Ca 0.32 -0.43 -0.02 0.00 0.00 0.00 0.00 47.33 47.20 3a10 h GLY 65 CO -0.10 0.40 0.14 0.83 0.00 0.00 0.00 176.54 177.81 3a10 h GLU 66 N 0.39 0.54 -0.47 4.80 4.39 -0.92 -1.33 114.58 121.98 3a10 h GLU 66 Ca 0.10 -0.10 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 3a10 h GLU 66 Cb 0.40 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.95 3a10 h GLU 66 CO 0.01 0.54 0.24 0.82 -1.16 0.00 0.00 179.01 179.46 3a10 h ILE 67 N 0.43 1.18 -0.70 3.13 2.04 -1.06 -1.60 117.51 120.93 3a10 h ILE 67 Ca 0.12 -0.50 -0.00 0.00 1.00 0.00 0.00 64.86 65.47 3a10 h ILE 67 Cb 0.20 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 36.89 3a10 h ILE 67 CO -0.01 0.20 0.43 -0.09 0.00 0.00 0.00 178.15 178.68 3a10 h ARG 68 N 0.62 0.95 -0.67 2.37 9.65 -1.12 0.37 114.38 126.56 3a10 h ARG 68 Ca 0.16 -0.08 -0.06 0.00 -1.10 0.00 0.00 59.98 58.90 3a10 h ARG 68 Cb 0.10 -0.20 -0.03 0.00 -1.39 0.00 0.00 29.97 28.45 3a10 h ARG 68 CO -0.02 0.67 0.19 0.87 2.80 0.00 0.00 179.97 184.48 3a10 h LYS 69 N 0.96 1.04 -0.01 0.20 1.57 -0.93 -3.20 116.57 116.19 3a10 h LYS 69 Ca 0.25 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3a10 h LYS 69 Cb -0.04 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.12 3a10 h LYS 69 CO -0.05 0.91 -0.41 1.63 -0.57 0.00 0.00 179.45 180.96 3a10 n LYS 70 N -4.25 1.41 -3.34 3.15 4.01 -0.63 -4.63 118.16 113.88 3a10 n LYS 70 Ca 0.05 -0.98 -0.22 0.00 -0.51 0.00 0.00 58.31 56.64 3a10 n LYS 70 Cb 0.24 -1.41 -0.09 0.00 -0.51 0.00 0.00 35.03 33.26 3a10 n LYS 70 CO 0.00 0.00 0.00 0.21 -1.11 0.00 0.00 177.40 176.50 3a10 s LYS 71 N -2.25 0.75 0.27 1.97 2.47 0.13 -5.04 119.74 118.04 3a10 s LYS 71 Ca 0.17 -1.46 0.00 0.00 -1.56 0.00 0.00 55.97 53.12 3a10 s LYS 71 Cb 0.16 -1.06 0.55 0.00 -1.46 0.00 0.00 37.83 36.03 3a10 s LYS 71 CO 0.50 -1.28 1.79 -0.22 0.16 0.00 0.00 175.35 176.30 3a10 h LYS 72 N 6.32 0.74 -0.64 4.03 3.64 -1.78 -0.96 116.57 127.92 3a10 h LYS 72 Ca 0.14 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 3a10 h LYS 72 Cb 0.99 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.64 3a10 h LYS 72 CO 0.26 0.49 0.00 -0.25 -2.27 0.00 0.00 179.45 177.68 3a10 n ASP 73 N -4.77 4.40 -4.64 4.20 8.00 -1.26 -4.98 116.55 117.49 3a10 n ASP 73 Ca 0.18 -2.50 -0.38 0.00 0.71 0.00 0.00 54.79 52.80 3a10 n ASP 73 Cb 0.41 -0.57 0.05 0.00 -0.02 0.00 0.00 41.12 41.00 3a10 n ASP 73 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3a10 n ALA 74 N 0.81 0.45 -2.94 2.24 0.00 -0.36 -5.00 120.51 115.72 3a10 n ALA 74 Ca 0.22 0.02 -0.36 0.00 0.00 0.00 0.00 53.44 53.32 3a10 n ALA 74 Cb 0.86 -2.17 -0.12 0.00 0.00 0.00 0.00 19.45 18.03 3a10 n ALA 74 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3a10 s LYS 75 N -2.86 3.76 -0.07 0.00 -0.14 -1.26 -4.93 119.74 114.25 3a10 s LYS 75 Ca 0.76 -0.43 0.00 0.00 -1.36 0.00 0.00 55.97 54.95 3a10 s LYS 75 Cb -0.41 -3.31 0.02 0.00 -1.68 0.00 0.00 37.83 32.45 3a10 s LYS 75 CO 0.46 -0.05 -0.05 0.42 -0.76 0.00 0.00 175.35 175.37 3a10 s ILE 76 N 1.26 0.67 -0.15 2.17 1.01 -1.26 -1.15 121.20 123.76 3a10 s ILE 76 Ca 0.05 -0.14 -0.01 0.00 0.00 0.00 0.00 60.65 60.56 3a10 s ILE 76 Cb -0.15 -0.72 -0.01 0.00 0.01 0.00 0.00 42.46 41.60 3a10 s ILE 76 CO 0.04 0.28 -0.13 -0.63 0.00 0.00 0.00 174.94 174.50 3a10 s ILE 77 N 1.34 2.97 -0.14 2.92 1.01 -0.35 -0.62 121.20 128.34 3a10 s ILE 77 Ca -0.04 -0.67 -0.27 0.00 0.00 0.00 0.00 60.65 59.67 3a10 s ILE 77 Cb -0.14 -2.27 -0.02 0.00 0.01 0.00 0.00 42.46 40.05 3a10 s ILE 77 CO -0.03 0.51 0.88 -0.76 0.00 0.00 0.00 174.94 175.54 3a10 s LEU 78 N 0.66 4.22 -0.28 2.97 1.43 -0.37 -0.28 118.68 127.03 3a10 s LEU 78 Ca -0.07 1.30 0.01 0.00 -1.03 0.00 0.00 54.13 54.34 3a10 s LEU 78 Cb -0.15 -3.33 0.08 0.00 0.03 0.00 0.00 46.19 42.82 3a10 s LEU 78 CO 0.02 -0.38 0.01 -0.22 0.23 0.00 0.00 176.35 176.01 3a10 s LEU 79 N 1.95 2.99 0.05 1.79 2.96 -0.01 -0.04 118.68 128.37 3a10 s LEU 79 Ca 0.42 -1.50 0.02 0.00 -0.22 0.00 0.00 54.13 52.84 3a10 s LEU 79 Cb -0.17 -1.21 -0.03 0.00 0.50 0.00 0.00 46.19 45.28 3a10 s LEU 79 CO 0.15 -0.31 -0.07 0.28 -1.32 0.00 0.00 176.35 175.08 3a10 s THR 80 N 1.33 0.53 0.42 3.68 -1.32 -0.84 -3.57 115.64 115.88 3a10 s THR 80 Ca 0.02 -1.19 0.35 0.00 -1.21 0.00 0.00 61.69 59.65 3a10 s THR 80 Cb -0.19 -0.74 0.37 0.00 -1.51 0.00 0.00 72.50 70.44 3a10 s THR 80 CO -0.11 -0.46 2.16 0.00 -2.21 0.00 0.00 174.62 174.00 3a10 h ALA 81 N 4.29 1.12 -3.26 11.08 0.00 -1.90 0.89 119.26 131.47 3a10 h ALA 81 Ca -0.36 -0.04 -0.65 0.00 0.00 0.00 0.00 54.91 53.86 3a10 h ALA 81 Cb 1.20 -0.01 -0.26 0.00 0.00 0.00 0.00 17.79 18.71 3a10 h ALA 81 CO 0.44 0.05 -0.75 0.71 0.00 0.00 0.00 179.25 179.71 3a10 s TYR 82 N -4.05 2.86 -1.01 0.00 2.02 -1.26 -4.61 117.35 111.29 3a10 s TYR 82 Ca -0.03 -0.67 0.26 0.00 -0.37 0.00 0.00 57.07 56.27 3a10 s TYR 82 Cb 0.12 -1.90 1.13 0.00 -0.40 0.00 0.00 41.96 40.91 3a10 s TYR 82 CO 0.51 -0.26 1.85 -1.13 -1.57 0.00 0.00 175.55 174.96 3a10 n SER 83 N 3.75 0.00 -0.28 2.29 3.41 -1.26 -4.13 113.62 117.39 3a10 n SER 83 Ca -0.18 0.48 0.10 0.00 -0.26 0.00 0.00 58.87 59.01 3a10 n SER 83 Cb 0.52 -0.49 0.24 0.00 -0.26 0.00 0.00 64.21 64.22 3a10 n SER 83 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 3a10 h HIS 84 N 0.00 0.24 0.00 7.33 6.17 -1.99 -2.08 115.15 124.81 3a10 h HIS 84 Ca 0.00 0.05 0.00 0.00 0.71 0.00 0.00 60.37 61.13 3a10 h HIS 84 Cb 0.45 0.03 0.00 0.00 2.52 0.00 0.00 27.41 30.40 3a10 h HIS 84 CO 0.00 -0.19 0.00 0.66 0.71 0.00 0.00 177.93 179.11 3a10 n TYR 85 N -5.24 0.00 -0.18 5.26 4.01 -1.26 -3.87 117.16 115.88 3a10 n TYR 85 Ca 0.18 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 58.00 3a10 n TYR 85 Cb 0.59 -0.20 0.37 0.00 -0.31 0.00 0.00 39.34 39.80 3a10 n TYR 85 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 3a10 h ARG 86 N 0.00 0.69 -0.64 -0.72 2.43 -1.66 -0.59 114.38 113.88 3a10 h ARG 86 Ca 0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3a10 h ARG 86 Cb 0.19 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 3a10 h ARG 86 CO 0.00 0.45 0.00 -1.13 -1.51 0.00 0.00 179.97 177.78 3a10 n SER 87 N -4.49 4.37 -1.89 -3.80 3.41 -1.25 -4.91 113.62 105.06 3a10 n SER 87 Ca 0.11 -2.44 0.00 0.00 -0.26 0.00 0.00 58.87 56.28 3a10 n SER 87 Cb 0.27 -0.56 0.00 0.00 -0.26 0.00 0.00 64.21 63.66 3a10 n SER 87 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3a10 n ASP 88 N 0.92 0.00 0.00 4.04 -0.08 -0.23 -5.04 116.55 116.16 3a10 n ASP 88 Ca 0.23 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.51 3a10 n ASP 88 Cb 0.84 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.30 3a10 n ASP 88 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 3a10 n SER 90 N 0.00 0.00 0.20 1.67 7.64 -1.26 -4.10 113.62 117.77 3a10 n SER 90 Ca 0.00 0.00 0.14 0.00 1.01 0.00 0.00 58.87 60.02 3a10 n SER 90 Cb 0.00 0.00 0.68 0.00 -1.01 0.00 0.00 64.21 63.88 3a10 n SER 90 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 3a10 h SER 91 N 0.00 0.00 0.54 6.43 0.02 -1.91 -2.89 113.55 115.74 3a10 h SER 91 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3a10 h SER 91 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 3a10 h SER 91 CO 0.00 0.00 0.00 -0.50 -1.14 0.00 0.00 176.83 175.19 3a10 h TRP 92 N 0.00 0.00 0.00 3.45 6.55 -1.93 -1.87 115.95 122.15 3a10 h TRP 92 Ca 0.00 0.00 -0.02 0.00 0.95 0.00 0.00 58.89 59.82 3a10 h TRP 92 Cb 0.21 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 28.50 3a10 h TRP 92 CO 0.00 0.00 -0.10 0.00 -1.05 0.00 0.00 178.44 177.29 3a10 h ALA 93 N 2.02 1.36 -2.35 1.49 0.00 -1.86 -3.44 119.26 116.47 3a10 h ALA 93 Ca 0.00 -0.09 -0.50 0.00 0.00 0.00 0.00 54.91 54.32 3a10 h ALA 93 Cb 0.27 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.05 3a10 h ALA 93 CO 0.00 0.12 0.02 0.00 0.00 0.00 0.00 179.25 179.39 3a10 s ALA 94 N -4.31 3.46 0.08 0.00 0.00 -0.71 -4.83 121.76 115.46 3a10 s ALA 94 Ca -0.03 -0.40 -0.09 0.00 0.00 0.00 0.00 51.96 51.44 3a10 s ALA 94 Cb 0.14 -2.53 -0.22 0.00 0.00 0.00 0.00 23.12 20.51 3a10 s ALA 94 CO 0.58 0.01 1.18 -0.44 0.00 0.00 0.00 175.76 177.10 3a10 h ASP 95 N 1.20 0.67 -5.14 0.00 3.32 -1.17 -3.48 116.42 111.82 3a10 h ASP 95 Ca -0.47 -0.61 -0.13 0.00 0.02 0.00 0.00 57.03 55.83 3a10 h ASP 95 Cb 1.19 -0.21 -0.17 0.00 0.22 0.00 0.00 39.33 40.36 3a10 h ASP 95 CO 0.64 1.43 -0.64 -1.61 -1.72 0.00 0.00 179.24 177.34 3a10 s GLU 96 N -3.01 0.54 -0.10 3.56 0.41 -1.09 -5.04 118.70 113.97 3a10 s GLU 96 Ca -0.07 -0.97 0.01 0.00 -0.41 0.00 0.00 54.97 53.52 3a10 s GLU 96 Cb 0.07 0.20 0.02 0.00 -1.78 0.00 0.00 34.13 32.64 3a10 s GLU 96 CO 0.90 -0.11 -0.09 -0.47 -0.49 0.00 0.00 175.26 175.00 3a10 s TYR 97 N -3.07 1.50 -0.09 1.61 6.14 -1.26 -1.23 117.35 120.95 3a10 s TYR 97 Ca -0.01 -0.69 0.02 0.00 0.64 0.00 0.00 57.07 57.03 3a10 s TYR 97 Cb 0.02 -1.19 0.01 0.00 0.42 0.00 0.00 41.96 41.22 3a10 s TYR 97 CO -0.07 -0.44 -0.15 0.08 0.64 0.00 0.00 175.55 175.62 3a10 s VAL 98 N 1.33 1.39 -0.07 3.14 1.01 0.94 -4.97 120.40 123.17 3a10 s VAL 98 Ca -0.02 -0.60 -0.24 0.00 0.00 0.00 0.00 61.98 61.12 3a10 s VAL 98 Cb -0.14 -1.26 -0.03 0.00 0.00 0.00 0.00 36.38 34.95 3a10 s VAL 98 CO -0.04 0.41 0.72 -0.69 0.00 0.00 0.00 175.10 175.50 3a10 s VAL 99 N 0.77 5.03 0.14 2.92 1.01 -1.26 -1.98 120.40 127.03 3a10 s VAL 99 Ca -0.12 1.47 -0.35 0.00 0.00 0.00 0.00 61.98 62.99 3a10 s VAL 99 Cb -0.16 -4.06 -0.15 0.00 0.00 0.00 0.00 36.38 32.02 3a10 s VAL 99 CO 0.02 0.23 1.45 0.29 0.00 0.00 0.00 175.10 177.09 3a10 n LYS 100 N 3.91 1.70 -4.09 2.72 5.02 0.31 -4.92 118.16 122.81 3a10 n LYS 100 Ca -0.01 0.61 -0.12 0.00 -2.02 0.00 0.00 58.31 56.78 3a10 n LYS 100 Cb 0.51 -2.31 -0.11 0.00 -0.02 0.00 0.00 35.03 33.10 3a10 n LYS 100 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3a10 s SER 101 N 0.65 0.87 0.28 4.39 0.15 -1.26 -4.90 113.70 113.89 3a10 s SER 101 Ca 0.80 -0.72 0.26 0.00 0.70 0.00 0.00 55.95 56.99 3a10 s SER 101 Cb -0.79 0.07 0.88 0.00 -1.71 0.00 0.00 66.02 64.46 3a10 s SER 101 CO 0.43 -0.32 1.76 -0.26 1.20 0.00 0.00 173.24 176.05 3a10 h PHE 102 N 3.94 0.00 -3.56 3.44 -1.00 -2.06 -3.38 116.94 114.32 3a10 h PHE 102 Ca -0.35 0.00 -0.68 0.00 2.81 0.00 0.00 57.97 59.75 3a10 h PHE 102 Cb 1.19 0.00 -0.18 0.00 3.61 0.00 0.00 35.95 40.57 3a10 h PHE 102 CO 0.62 0.00 -0.15 1.21 -1.61 0.00 0.00 178.31 178.38 3a10 s ASN 103 N -4.72 6.22 0.00 2.17 3.84 -1.26 -4.96 114.94 116.23 3a10 s ASN 103 Ca 0.07 -0.52 0.30 0.00 0.21 0.00 0.00 52.86 52.92 3a10 s ASN 103 Cb 0.10 -2.24 1.49 0.00 -0.55 0.00 0.00 41.25 40.05 3a10 s ASN 103 CO 0.53 -0.58 2.00 0.49 -2.79 0.00 0.00 177.10 176.75 3a10 n PHE 104 N 5.69 0.00 -0.17 0.43 3.72 -1.26 -4.28 117.46 121.59 3a10 n PHE 104 Ca -0.06 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.32 3a10 n PHE 104 Cb 0.48 -0.01 0.08 0.00 -0.94 0.00 0.00 39.48 39.09 3a10 n PHE 104 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 3a10 h ASP 105 N 1.09 0.04 -0.14 4.37 3.32 -1.94 -0.22 116.42 122.94 3a10 h ASP 105 Ca 0.00 0.09 -0.00 0.00 0.02 0.00 0.00 57.03 57.14 3a10 h ASP 105 Cb 0.24 0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 3a10 h ASP 105 CO 0.00 0.04 0.08 -0.08 -1.72 0.00 0.00 179.24 177.56 3a10 h GLU 106 N 0.27 0.20 -0.53 3.56 4.81 -2.00 0.04 114.58 120.92 3a10 h GLU 106 Ca 0.27 -0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.54 3a10 h GLU 106 Cb 0.36 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.65 3a10 h GLU 106 CO -0.33 0.22 0.22 1.25 -0.73 0.00 0.00 179.01 179.64 3a10 h LEU 107 N 0.13 0.28 -1.16 1.64 5.85 -1.75 -1.85 115.31 118.44 3a10 h LEU 107 Ca 0.05 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.79 3a10 h LEU 107 Cb 0.08 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 3a10 h LEU 107 CO -0.01 0.19 0.26 0.11 -0.34 0.00 0.00 178.44 178.65 3a10 h LYS 108 N 0.43 0.85 -0.40 1.25 1.57 -0.69 -0.40 116.57 119.18 3a10 h LYS 108 Ca 0.25 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 58.89 3a10 h LYS 108 Cb 0.23 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 3a10 h LYS 108 CO -0.22 0.68 0.17 0.93 -0.57 0.00 0.00 179.45 180.44 3a10 h GLU 109 N 0.84 0.59 -0.39 3.15 5.08 -0.52 -1.08 114.58 122.25 3a10 h GLU 109 Ca 0.21 -0.10 -0.13 0.00 -1.00 0.00 0.00 59.36 58.33 3a10 h GLU 109 Cb 0.13 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 3a10 h GLU 109 CO -0.02 0.54 -0.29 0.87 -1.00 0.00 0.00 179.01 179.12 3a10 h LYS 110 N 0.50 0.84 0.62 2.33 1.79 -1.01 -0.81 116.57 120.83 3a10 h LYS 110 Ca 0.13 -0.38 -0.03 0.00 -2.18 0.00 0.00 60.65 58.20 3a10 h LYS 110 Cb 0.17 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.80 3a10 h LYS 110 CO -0.01 1.02 -0.34 0.28 -1.08 0.00 0.00 179.45 179.32 3a10 h VAL 111 N 0.71 0.31 -1.00 0.50 2.07 -0.98 -2.00 116.25 115.87 3a10 h VAL 111 Ca 0.08 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.77 3a10 h VAL 111 Cb 0.83 0.31 -0.10 0.00 -1.52 0.00 0.00 31.29 30.82 3a10 h VAL 111 CO 0.07 0.00 0.62 0.50 0.02 0.00 0.00 177.57 178.78 3a10 h LYS 112 N -0.88 0.82 -0.04 1.57 1.63 -1.08 -1.11 116.57 117.48 3a10 h LYS 112 Ca -0.08 -0.05 0.01 0.00 -0.85 0.00 0.00 60.65 59.68 3a10 h LYS 112 Cb 0.70 -0.19 -0.01 0.00 -0.60 0.00 0.00 32.23 32.13 3a10 h LYS 112 CO 0.11 0.54 -0.02 -0.22 -3.45 0.00 0.00 179.45 176.42 3a10 h LYS 113 N 0.85 -0.01 0.00 1.90 3.64 -0.98 -2.57 116.57 119.39 3a10 h LYS 113 Ca 0.55 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.82 3a10 h LYS 113 Cb 0.75 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.56 3a10 h LYS 113 CO -0.33 -0.01 -0.50 -0.07 -2.27 0.00 0.00 179.45 176.27 3a10 h LEU 114 N -0.01 0.00 -0.78 5.20 3.38 -0.57 -2.72 115.31 119.80 3a10 h LEU 114 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3a10 h LEU 114 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3a10 h LEU 114 CO -0.05 0.50 0.00 0.18 0.09 0.00 0.00 178.44 179.16 3a10 n LEU 115 N -3.66 1.18 0.00 1.67 4.77 -0.50 -5.02 117.00 115.44 3a10 n LEU 115 Ca -0.01 -0.47 0.08 0.00 -0.03 0.00 0.00 56.01 55.59 3a10 n LEU 115 Cb 0.57 -0.05 0.48 0.00 -2.33 0.00 0.00 43.42 42.09 3a10 n LEU 115 CO 0.39 0.23 0.69 -1.20 -1.33 0.00 0.00 177.39 176.18