#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dmo s ASP 2 N 0.00 0.14 1.09 0.00 -4.77 -1.26 -5.06 116.67 106.81 1dmo s ASP 2 Ca 0.00 -0.47 -0.12 0.00 -3.30 0.00 0.00 52.55 48.66 1dmo s ASP 2 Cb 0.00 0.23 0.24 0.00 -1.09 0.00 0.00 42.92 42.30 1dmo s ASP 2 CO 0.00 -0.49 1.06 0.00 0.70 0.00 0.00 175.17 176.44 1dmo s GLN 3 N -2.40 -0.29 -0.39 2.11 -2.07 -1.26 -4.19 119.66 111.16 1dmo s GLN 3 Ca -0.07 0.81 -0.27 0.00 -1.82 0.00 0.00 55.36 54.02 1dmo s GLN 3 Cb -0.02 -1.63 -0.06 0.00 -1.09 0.00 0.00 33.01 30.21 1dmo s GLN 3 CO -0.04 -3.30 2.35 -0.51 -1.32 0.00 0.00 175.29 172.48 1dmo s LEU 4 N -6.91 3.42 0.08 2.60 1.43 -1.26 -4.87 118.68 113.16 1dmo s LEU 4 Ca 0.67 1.38 -0.13 0.00 -1.03 0.00 0.00 54.13 55.02 1dmo s LEU 4 Cb -0.23 -2.87 -0.06 0.00 0.03 0.00 0.00 46.19 43.07 1dmo s LEU 4 CO 0.62 -2.57 0.47 0.42 0.23 0.00 0.00 176.35 175.52 1dmo s THR 5 N 10.88 4.97 0.58 5.49 -4.23 -1.26 -4.92 115.64 127.14 1dmo s THR 5 Ca 0.99 0.73 0.38 0.00 -1.18 0.00 0.00 61.69 62.61 1dmo s THR 5 Cb -0.23 -3.71 0.56 0.00 1.34 0.00 0.00 72.50 70.47 1dmo s THR 5 CO 0.29 0.36 1.52 -0.33 -0.54 0.00 0.00 174.62 175.92 1dmo h GLU 6 N 3.94 0.00 -0.17 3.99 4.39 -2.00 1.62 114.58 126.36 1dmo h GLU 6 Ca -0.50 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.04 1dmo h GLU 6 Cb 1.20 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 1dmo h GLU 6 CO 0.65 0.00 -0.53 1.49 -1.16 0.00 0.00 179.01 179.46 1dmo h GLU 7 N 0.00 0.65 -0.65 2.33 4.81 -1.98 -2.41 114.58 117.33 1dmo h GLU 7 Ca 0.68 -0.48 0.11 0.00 -0.13 0.00 0.00 59.36 59.54 1dmo h GLU 7 Cb 3.12 0.08 -0.04 0.00 0.63 0.00 0.00 28.75 32.54 1dmo h GLU 7 CO -0.01 1.10 0.44 1.96 -0.73 0.00 0.00 179.01 181.77 1dmo h GLN 8 N 0.33 0.44 -0.26 1.92 4.20 0.20 0.20 115.11 122.15 1dmo h GLN 8 Ca -0.02 -0.03 -0.14 0.00 0.06 0.00 0.00 58.65 58.52 1dmo h GLN 8 Cb 1.16 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.83 1dmo h GLN 8 CO 0.11 0.29 -0.43 0.82 -0.67 0.00 0.00 178.83 178.96 1dmo h ILE 9 N 0.45 1.30 -0.76 2.54 5.03 -1.25 -0.68 117.51 124.14 1dmo h ILE 9 Ca 0.31 -1.61 -0.02 0.00 -0.12 0.00 0.00 64.86 63.42 1dmo h ILE 9 Cb 0.59 1.56 -0.04 0.00 -3.03 0.00 0.00 36.82 35.91 1dmo h ILE 9 CO -0.09 0.51 0.42 0.00 -0.68 0.00 0.00 178.15 178.30 1dmo h ALA 10 N 1.02 0.98 -0.39 1.87 0.00 -0.13 0.26 119.26 122.87 1dmo h ALA 10 Ca 0.04 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 1dmo h ALA 10 Cb 0.95 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1dmo h ALA 10 CO 0.09 0.50 -0.20 1.49 0.00 0.00 0.00 179.25 181.12 1dmo h GLU 11 N 1.06 0.83 -1.01 0.00 4.81 -1.10 -2.27 114.58 116.91 1dmo h GLU 11 Ca 0.27 -0.37 0.05 0.00 -0.13 0.00 0.00 59.36 59.18 1dmo h GLU 11 Cb 0.04 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.34 1dmo h GLU 11 CO -0.04 1.00 0.65 0.74 -0.73 0.00 0.00 179.01 180.63 1dmo h PHE 12 N 0.64 1.22 -0.85 0.92 -1.00 -0.57 -0.13 116.94 117.16 1dmo h PHE 12 Ca 0.09 0.03 -0.03 0.00 2.81 0.00 0.00 57.97 60.87 1dmo h PHE 12 Cb 0.76 -0.40 -0.04 0.00 3.61 0.00 0.00 35.95 39.88 1dmo h PHE 12 CO 0.06 0.67 0.42 -0.22 -1.61 0.00 0.00 178.31 177.62 1dmo h LYS 13 N 1.23 1.21 0.18 1.51 3.64 -0.66 -0.98 116.57 122.70 1dmo h LYS 13 Ca 0.42 -0.17 0.01 0.00 -1.27 0.00 0.00 60.65 59.64 1dmo h LYS 13 Cb 0.08 -0.22 -0.04 0.00 -0.41 0.00 0.00 32.23 31.64 1dmo h LYS 13 CO -0.15 0.92 -0.47 1.49 -2.27 0.00 0.00 179.45 178.97 1dmo h GLU 14 N 1.21 -0.72 0.15 1.90 4.81 -0.45 0.83 114.58 122.30 1dmo h GLU 14 Ca 0.29 0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.59 1dmo h GLU 14 Cb 0.10 0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.60 1dmo h GLU 14 CO -0.04 -0.48 -0.46 0.00 -0.73 0.00 0.00 179.01 177.30 1dmo h ALA 15 N -0.40 -0.85 -0.98 2.92 0.00 -1.13 1.08 119.26 119.90 1dmo h ALA 15 Ca -0.00 -0.09 0.28 0.00 0.00 0.00 0.00 54.91 55.10 1dmo h ALA 15 Cb 0.74 0.77 -0.04 0.00 0.00 0.00 0.00 17.79 19.26 1dmo h ALA 15 CO -0.23 -1.04 0.71 0.35 0.00 0.00 0.00 179.25 179.03 1dmo h PHE 16 N -0.71 0.00 0.00 0.00 3.04 -0.67 0.50 116.94 119.10 1dmo h PHE 16 Ca 0.01 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.94 1dmo h PHE 16 Cb 0.72 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 39.23 1dmo h PHE 16 CO -0.39 0.00 -1.10 -1.13 -2.02 0.00 0.00 178.31 173.68 1dmo n SER 17 N -4.23 0.80 0.17 0.41 3.41 0.28 -3.91 113.62 110.55 1dmo n SER 17 Ca 0.21 0.31 0.02 0.00 -0.26 0.00 0.00 58.87 59.15 1dmo n SER 17 Cb 1.05 0.51 0.29 0.00 -0.26 0.00 0.00 64.21 65.80 1dmo n SER 17 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1dmo h LEU 18 N 0.00 0.00 -3.00 1.04 3.38 0.61 -2.65 115.31 114.69 1dmo h LEU 18 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1dmo h LEU 18 Cb 1.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.80 1dmo h LEU 18 CO 0.00 0.47 0.00 0.49 0.09 0.00 0.00 178.44 179.49 1dmo n PHE 19 N -3.75 1.59 -2.21 1.13 3.72 -0.97 -4.91 117.46 112.07 1dmo n PHE 19 Ca -0.01 -0.57 -0.43 0.00 -0.05 0.00 0.00 57.45 56.39 1dmo n PHE 19 Cb 0.52 -0.37 -0.02 0.00 -0.94 0.00 0.00 39.48 38.67 1dmo n PHE 19 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 176.76 176.87 1dmo s ASP 20 N -0.72 6.30 -0.01 4.37 -4.77 -1.00 -4.78 116.67 116.06 1dmo s ASP 20 Ca 0.45 1.24 0.00 0.00 -3.30 0.00 0.00 52.55 50.94 1dmo s ASP 20 Cb 0.33 -2.53 -0.01 0.00 -1.09 0.00 0.00 42.92 39.61 1dmo s ASP 20 CO 0.16 -1.39 -0.01 1.17 0.70 0.00 0.00 175.17 175.80 1dmo n LYS 21 N 7.91 0.03 0.20 2.11 3.00 -1.26 -4.61 118.16 125.55 1dmo n LYS 21 Ca 0.18 0.01 0.12 0.00 -0.00 0.00 0.00 58.31 58.62 1dmo n LYS 21 Cb 0.47 -1.02 0.65 0.00 0.00 0.00 0.00 35.03 35.12 1dmo n LYS 21 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.40 177.78 1dmo h ASP 22 N -0.00 0.00 -3.44 3.14 2.03 -1.86 -3.44 116.42 112.85 1dmo h ASP 22 Ca -0.03 0.00 -0.37 0.00 -0.73 0.00 0.00 57.03 55.90 1dmo h ASP 22 Cb 1.04 0.00 0.02 0.00 -0.83 0.00 0.00 39.33 39.57 1dmo h ASP 22 CO -0.00 0.00 -0.52 0.61 -1.03 0.00 0.00 179.24 178.29 1dmo n GLY 23 N -1.26 -0.41 0.01 7.15 0.00 -1.26 -4.85 105.19 104.57 1dmo n GLY 23 Ca -0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 46.02 45.98 1dmo n GLY 23 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1dmo n ASP 24 N -1.88 4.36 0.00 1.61 2.03 -1.26 -5.03 116.55 116.38 1dmo n ASP 24 Ca -0.16 -0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.15 1dmo n ASP 24 Cb 0.64 0.37 0.00 0.00 -0.72 0.00 0.00 41.12 41.41 1dmo n ASP 24 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1dmo n GLY 25 N 3.05 1.98 3.27 0.27 0.00 -1.26 -5.14 105.19 107.36 1dmo n GLY 25 Ca -0.03 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.87 1dmo n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1dmo s THR 26 N -1.98 0.07 0.03 2.61 -4.23 -1.26 -4.29 115.64 106.59 1dmo s THR 26 Ca 0.00 -0.58 0.02 0.00 -1.18 0.00 0.00 61.69 59.96 1dmo s THR 26 Cb 0.00 -0.88 -0.04 0.00 1.34 0.00 0.00 72.50 72.92 1dmo s THR 26 CO 0.00 -0.32 0.01 0.27 -0.54 0.00 0.00 174.62 174.04 1dmo s ILE 27 N -2.29 4.17 0.16 2.99 -4.36 -0.10 -4.62 121.20 117.15 1dmo s ILE 27 Ca -0.07 -0.71 -0.23 0.00 -0.26 0.00 0.00 60.65 59.38 1dmo s ILE 27 Cb -0.02 -2.91 -0.08 0.00 1.25 0.00 0.00 42.46 40.71 1dmo s ILE 27 CO -0.01 0.28 0.73 0.42 0.24 0.00 0.00 174.94 176.60 1dmo s THR 28 N -1.18 4.47 0.50 8.37 -4.23 -1.26 -0.39 115.64 121.92 1dmo s THR 28 Ca 0.22 1.54 0.44 0.00 -1.18 0.00 0.00 61.69 62.72 1dmo s THR 28 Cb -0.12 -4.04 0.65 0.00 1.34 0.00 0.00 72.50 70.33 1dmo s THR 28 CO 0.14 0.47 1.38 0.35 -0.54 0.00 0.00 174.62 176.41 1dmo n THR 29 N 1.44 0.00 -0.13 3.99 -2.24 -1.22 0.12 114.28 116.25 1dmo n THR 29 Ca -0.06 1.32 -0.11 0.00 -2.27 0.00 0.00 64.05 62.93 1dmo n THR 29 Cb 0.49 -2.20 -0.02 0.00 -2.10 0.00 0.00 70.33 66.50 1dmo n THR 29 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1dmo h LYS 30 N 0.00 0.70 -0.00 -0.78 2.10 -1.90 -2.71 116.57 113.98 1dmo h LYS 30 Ca 0.82 -0.26 0.00 0.00 -2.00 0.00 0.00 60.65 59.22 1dmo h LYS 30 Cb 3.34 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 34.63 1dmo h LYS 30 CO -0.01 0.84 -0.01 0.39 -2.00 0.00 0.00 179.45 178.66 1dmo n GLU 31 N -4.41 0.06 0.03 0.07 1.02 0.33 -4.09 120.64 113.66 1dmo n GLU 31 Ca -0.02 -0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.06 1dmo n GLU 31 Cb 0.33 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.21 1dmo n GLU 31 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1dmo h LEU 32 N 0.00 -0.64 -0.97 -4.62 5.85 -1.05 -0.66 115.31 113.22 1dmo h LEU 32 Ca 0.00 0.07 0.28 0.00 0.84 0.00 0.00 57.88 59.07 1dmo h LEU 32 Cb 0.47 0.24 -0.14 0.00 0.37 0.00 0.00 40.66 41.60 1dmo h LEU 32 CO 0.00 -0.21 0.49 1.23 -0.34 0.00 0.00 178.44 179.61 1dmo h GLY 33 N -0.28 1.86 1.37 3.75 0.00 -1.73 0.60 103.07 108.65 1dmo h GLY 33 Ca 0.00 -0.21 -0.03 0.00 0.00 0.00 0.00 47.33 47.10 1dmo h GLY 33 CO -0.13 -0.40 0.23 -0.84 0.00 0.00 0.00 176.54 175.40 1dmo h THR 34 N 0.36 1.20 0.68 4.70 2.02 -1.50 -2.00 112.91 118.36 1dmo h THR 34 Ca 0.67 -0.61 -0.03 0.00 0.77 0.00 0.00 66.41 67.20 1dmo h THR 34 Cb 1.43 0.52 0.01 0.00 -1.74 0.00 0.00 68.15 68.37 1dmo h THR 34 CO -0.59 0.25 -0.33 0.58 0.37 0.00 0.00 175.52 175.80 1dmo h VAL 35 N 0.80 0.00 -1.13 3.16 2.07 0.17 -2.74 116.25 118.58 1dmo h VAL 35 Ca 0.19 -0.33 0.32 0.00 0.82 0.00 0.00 66.70 67.70 1dmo h VAL 35 Cb 0.14 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 29.84 1dmo h VAL 35 CO -0.02 0.00 0.77 0.24 0.02 0.00 0.00 177.57 178.58 1dmo h MET 36 N -1.24 0.18 0.01 1.57 0.00 -1.34 0.34 114.93 114.46 1dmo h MET 36 Ca -0.09 -0.01 -0.00 0.00 0.00 0.00 0.00 59.70 59.60 1dmo h MET 36 Cb 0.70 -0.04 0.00 0.00 0.00 0.00 0.00 31.60 32.26 1dmo h MET 36 CO 0.15 0.12 -0.01 0.00 0.00 0.00 0.00 176.91 177.18 1dmo h ARG 37 N 0.19 -0.02 -0.00 1.72 3.08 -1.20 -1.97 114.38 116.18 1dmo h ARG 37 Ca 0.60 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.65 1dmo h ARG 37 Cb 1.94 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.00 1dmo h ARG 37 CO -0.17 0.18 -0.01 0.45 -1.07 0.00 0.00 179.97 179.35 1dmo n SER 38 N -5.01 0.02 0.12 7.04 2.88 0.20 -3.44 113.62 115.43 1dmo n SER 38 Ca -0.08 0.09 -0.24 0.00 -1.33 0.00 0.00 58.87 57.32 1dmo n SER 38 Cb 0.12 -0.36 -0.15 0.00 -0.75 0.00 0.00 64.21 63.07 1dmo n SER 38 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1dmo h LEU 39 N 0.01 0.74 0.00 2.46 6.46 -0.02 -3.49 115.31 121.47 1dmo h LEU 39 Ca 0.00 -0.91 0.00 0.00 -0.12 0.00 0.00 57.88 56.85 1dmo h LEU 39 Cb 0.37 -0.24 0.00 0.00 -0.73 0.00 0.00 40.66 40.06 1dmo h LEU 39 CO 0.00 1.73 0.00 0.61 -0.62 0.00 0.00 178.44 180.16 1dmo n GLY 40 N 1.77 -0.36 3.57 3.75 0.00 -0.78 -5.03 105.19 108.11 1dmo n GLY 40 Ca -0.20 0.30 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 1dmo n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1dmo s GLN 41 N 0.00 -0.95 -0.43 1.61 1.11 -1.18 -4.91 119.66 114.92 1dmo s GLN 41 Ca 0.00 0.23 0.06 0.00 0.01 0.00 0.00 55.36 55.66 1dmo s GLN 41 Cb 0.00 -1.60 0.21 0.00 -1.01 0.00 0.00 33.01 30.61 1dmo s GLN 41 CO 0.00 -3.59 0.51 0.09 0.01 0.00 0.00 175.29 172.31 1dmo n ASN 42 N -4.73 -0.93 -4.71 5.90 3.02 -1.26 -3.61 115.26 108.94 1dmo n ASN 42 Ca 0.09 -2.65 -0.31 0.00 -0.03 0.00 0.00 54.58 51.69 1dmo n ASN 42 Cb 0.58 -0.02 0.14 0.00 -0.61 0.00 0.00 39.78 39.87 1dmo n ASN 42 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1dmo s PRO 43 N -0.18 1.49 -0.08 3.52 0.05 -1.26 -5.01 135.00 133.53 1dmo s PRO 43 Ca 0.33 1.29 -0.13 0.00 0.05 0.00 0.00 61.00 62.53 1dmo s PRO 43 Cb 0.10 -1.80 -0.05 0.00 0.05 0.00 0.00 34.50 32.80 1dmo s PRO 43 CO -0.16 -2.22 0.33 0.99 0.05 0.00 0.00 177.00 176.00 1dmo s THR 44 N -2.78 5.21 0.54 1.26 2.01 -1.26 -4.92 115.64 115.70 1dmo s THR 44 Ca 0.64 0.65 0.49 0.00 0.31 0.00 0.00 61.69 63.78 1dmo s THR 44 Cb -0.20 -3.64 0.72 0.00 0.01 0.00 0.00 72.50 69.39 1dmo s THR 44 CO 0.57 0.51 1.54 1.21 -0.69 0.00 0.00 174.62 177.76 1dmo n GLU 45 N 2.53 -0.00 0.00 4.92 2.13 -1.26 -0.41 120.64 128.55 1dmo n GLU 45 Ca -0.14 1.08 0.00 0.00 0.66 0.00 0.00 57.16 58.77 1dmo n GLU 45 Cb 0.53 -2.47 0.00 0.00 0.27 0.00 0.00 31.44 29.76 1dmo n GLU 45 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1dmo n ALA 46 N -2.88 -0.28 -0.33 4.31 0.00 -1.26 -1.74 120.51 118.33 1dmo n ALA 46 Ca 0.44 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.96 1dmo n ALA 46 Cb 1.97 0.00 0.25 0.00 0.00 0.00 0.00 19.45 21.67 1dmo n ALA 46 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1dmo h GLU 47 N 0.00 0.74 -0.93 0.00 4.81 -1.60 0.61 114.58 118.21 1dmo h GLU 47 Ca 0.00 -0.04 0.18 0.00 -0.13 0.00 0.00 59.36 59.37 1dmo h GLU 47 Cb 0.00 -0.17 -0.08 0.00 0.63 0.00 0.00 28.75 29.14 1dmo h GLU 47 CO 0.00 0.49 0.60 1.25 -0.73 0.00 0.00 179.01 180.62 1dmo h LEU 48 N 0.76 0.57 -0.49 1.64 5.85 -0.78 0.18 115.31 123.03 1dmo h LEU 48 Ca 0.50 0.05 -0.14 0.00 0.84 0.00 0.00 57.88 59.13 1dmo h LEU 48 Cb 0.67 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.64 1dmo h LEU 48 CO -0.34 0.24 -0.30 -0.61 -0.34 0.00 0.00 178.44 177.08 1dmo h GLN 49 N 0.57 0.92 -0.35 1.25 5.75 0.11 -2.63 115.11 120.73 1dmo h GLN 49 Ca 0.49 -0.43 0.03 0.00 -0.15 0.00 0.00 58.65 58.59 1dmo h GLN 49 Cb 0.99 -0.01 -0.03 0.00 1.07 0.00 0.00 27.48 29.49 1dmo h GLN 49 CO -0.23 1.09 0.14 -0.44 -2.65 0.00 0.00 178.83 176.74 1dmo h ASP 50 N 0.77 0.18 -0.33 -0.69 3.32 -0.08 0.30 116.42 119.89 1dmo h ASP 50 Ca 0.08 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.16 1dmo h ASP 50 Cb 0.88 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.41 1dmo h ASP 50 CO 0.08 0.14 0.21 0.24 -1.72 0.00 0.00 179.24 178.19 1dmo h MET 51 N 0.31 0.44 -0.05 3.56 2.86 -1.36 -2.83 114.93 117.86 1dmo h MET 51 Ca 0.15 -0.03 0.02 0.00 -2.06 0.00 0.00 59.70 57.78 1dmo h MET 51 Cb 0.10 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.65 1dmo h MET 51 CO -0.14 0.32 -0.04 0.82 1.06 0.00 0.00 176.91 178.93 1dmo h ILE 52 N 0.44 0.88 -1.44 -1.22 2.04 -1.06 -1.18 117.51 115.95 1dmo h ILE 52 Ca 0.12 0.00 0.42 0.00 1.00 0.00 0.00 64.86 66.40 1dmo h ILE 52 Cb -0.02 0.88 -0.07 0.00 -0.74 0.00 0.00 36.82 36.87 1dmo h ILE 52 CO -0.02 0.00 1.02 0.78 0.00 0.00 0.00 178.15 179.93 1dmo h ASN 53 N -0.05 0.06 0.26 1.72 2.35 -0.70 0.37 115.58 119.60 1dmo h ASN 53 Ca 0.04 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.79 1dmo h ASN 53 Cb 0.10 0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.49 1dmo h ASN 53 CO -0.08 -0.01 -0.13 -0.33 -1.65 0.00 0.00 177.43 175.23 1dmo h GLU 54 N 0.04 -0.34 0.00 0.81 5.08 -1.10 -3.18 114.58 115.89 1dmo h GLU 54 Ca 0.72 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 59.10 1dmo h GLU 54 Cb 2.73 0.08 0.00 0.00 0.50 0.00 0.00 28.75 32.05 1dmo h GLU 54 CO -0.08 -0.23 0.00 1.33 -1.00 0.00 0.00 179.01 179.04 1dmo n VAL 55 N -4.77 0.00 0.12 3.13 0.24 -0.57 -3.13 118.33 113.35 1dmo n VAL 55 Ca -0.04 0.00 -0.07 0.00 -2.04 0.00 0.00 64.34 62.19 1dmo n VAL 55 Cb 0.14 -0.71 0.04 0.00 -1.47 0.00 0.00 33.84 31.83 1dmo n VAL 55 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1dmo n ASP 56 N -0.94 3.98 0.00 -1.34 2.03 0.12 -3.29 116.55 117.12 1dmo n ASP 56 Ca 0.09 -2.50 0.00 0.00 0.52 0.00 0.00 54.79 52.90 1dmo n ASP 56 Cb 0.04 -0.73 0.00 0.00 -0.72 0.00 0.00 41.12 39.71 1dmo n ASP 56 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1dmo n ALA 57 N 0.33 0.17 0.01 -1.67 0.00 -1.18 -4.78 120.51 113.38 1dmo n ALA 57 Ca 0.15 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.41 1dmo n ALA 57 Cb 0.72 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 20.06 1dmo n ALA 57 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1dmo h ASP 58 N 0.00 0.54 0.00 0.00 5.19 -1.77 -3.44 116.42 116.95 1dmo h ASP 58 Ca 0.00 -0.76 0.00 0.00 -0.62 0.00 0.00 57.03 55.65 1dmo h ASP 58 Cb 0.00 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 39.34 1dmo h ASP 58 CO 0.00 1.24 0.00 0.61 -3.12 0.00 0.00 179.24 177.97 1dmo n GLY 59 N 1.08 -0.21 0.73 2.75 0.00 -1.26 -5.09 105.19 103.20 1dmo n GLY 59 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1dmo n GLY 59 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1dmo n ASN 60 N -0.88 0.00 -0.02 1.61 2.85 -1.26 -4.99 115.26 112.57 1dmo n ASN 60 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1dmo n ASN 60 Cb 0.00 0.18 0.00 0.00 1.24 0.00 0.00 39.78 41.20 1dmo n ASN 60 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1dmo n GLY 61 N -1.17 0.29 3.53 8.20 0.00 -1.26 -4.79 105.19 109.98 1dmo n GLY 61 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1dmo n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1dmo s THR 62 N 0.00 1.46 -0.02 2.61 -4.23 -1.26 -3.40 115.64 110.80 1dmo s THR 62 Ca 0.00 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.52 1dmo s THR 62 Cb 0.00 -2.83 0.01 0.00 1.34 0.00 0.00 72.50 71.02 1dmo s THR 62 CO 0.00 0.00 -0.05 -0.63 -0.54 0.00 0.00 174.62 173.40 1dmo s ILE 63 N -3.06 0.46 0.62 2.99 1.01 0.48 -4.81 121.20 118.89 1dmo s ILE 63 Ca 0.34 -0.18 -0.02 0.00 0.00 0.00 0.00 60.65 60.80 1dmo s ILE 63 Cb 0.09 -0.44 0.05 0.00 0.01 0.00 0.00 42.46 42.17 1dmo s ILE 63 CO 0.16 0.16 0.88 -1.81 0.00 0.00 0.00 174.94 174.33 1dmo s ASP 64 N 0.32 5.04 0.21 3.58 1.11 -1.26 -0.93 116.67 124.74 1dmo s ASP 64 Ca -0.04 0.13 -0.10 0.00 0.18 0.00 0.00 52.55 52.72 1dmo s ASP 64 Cb -0.08 -0.89 0.15 0.00 1.07 0.00 0.00 42.92 43.17 1dmo s ASP 64 CO -0.00 -1.36 1.85 0.15 1.18 0.00 0.00 175.17 176.99 1dmo h PHE 65 N -0.21 0.97 0.62 4.23 3.57 -1.97 -1.93 116.94 122.22 1dmo h PHE 65 Ca -0.43 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.05 1dmo h PHE 65 Cb 1.30 -0.32 0.01 0.00 2.79 0.00 0.00 35.95 39.73 1dmo h PHE 65 CO 0.31 0.64 -0.30 -1.35 -2.23 0.00 0.00 178.31 175.39 1dmo h PRO 66 N 1.01 -0.80 -0.99 6.41 0.11 -1.96 -1.53 132.00 134.26 1dmo h PRO 66 Ca 0.27 0.05 0.18 0.00 0.11 0.00 0.00 66.00 66.61 1dmo h PRO 66 Cb -0.05 0.18 -0.10 0.00 0.11 0.00 0.00 31.00 31.14 1dmo h PRO 66 CO -0.05 -0.53 0.61 0.93 -0.21 0.00 0.00 178.00 178.75 1dmo h GLU 67 N -0.84 0.72 -0.18 1.05 4.39 -1.94 0.58 114.58 118.35 1dmo h GLU 67 Ca -0.08 -0.04 -0.03 0.00 0.34 0.00 0.00 59.36 59.54 1dmo h GLU 67 Cb 0.64 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.12 1dmo h GLU 67 CO 0.14 0.48 -0.01 0.35 -1.16 0.00 0.00 179.01 178.81 1dmo h PHE 68 N 0.74 0.26 -0.37 4.33 3.57 -0.78 -1.46 116.94 123.24 1dmo h PHE 68 Ca 0.55 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.97 1dmo h PHE 68 Cb 0.88 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.52 1dmo h PHE 68 CO -0.00 0.28 -0.04 -0.07 -2.23 0.00 0.00 178.31 176.25 1dmo h LEU 69 N 0.26 0.56 0.40 0.59 3.38 0.12 0.48 115.31 121.10 1dmo h LEU 69 Ca 0.06 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1dmo h LEU 69 Cb 0.19 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1dmo h LEU 69 CO 0.00 0.66 -0.19 0.74 0.09 0.00 0.00 178.44 179.74 1dmo h THR 70 N 0.56 0.50 0.00 0.22 2.02 -0.94 0.43 112.91 115.70 1dmo h THR 70 Ca 0.11 -0.54 -0.06 0.00 0.77 0.00 0.00 66.41 66.69 1dmo h THR 70 Cb 0.41 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 1dmo h THR 70 CO 0.02 0.08 -0.30 0.00 0.37 0.00 0.00 175.52 175.69 1dmo h MET 71 N -0.90 0.00 0.08 6.66 -0.00 -1.38 0.33 114.93 119.72 1dmo h MET 71 Ca -0.06 0.00 -0.26 0.00 -0.00 0.00 0.00 59.70 59.38 1dmo h MET 71 Cb 0.55 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 32.16 1dmo h MET 71 CO 0.09 0.30 -1.12 1.98 -0.00 0.00 0.00 176.91 178.16 1dmo h MET 72 N 0.00 0.41 -0.03 -0.10 -1.53 0.04 -2.86 114.93 110.86 1dmo h MET 72 Ca -0.00 -0.54 -0.18 0.00 -3.44 0.00 0.00 59.70 55.53 1dmo h MET 72 Cb 0.68 0.18 0.01 0.00 -0.55 0.00 0.00 31.60 31.92 1dmo h MET 72 CO 0.04 1.21 -0.69 0.00 0.14 0.00 0.00 176.91 177.61 1dmo h ALA 73 N 0.58 0.12 -0.36 0.39 0.00 0.12 -2.67 119.26 117.45 1dmo h ALA 73 Ca -0.13 -0.59 0.04 0.00 0.00 0.00 0.00 54.91 54.23 1dmo h ALA 73 Cb 1.80 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 19.58 1dmo h ALA 73 CO 0.20 0.45 0.14 0.00 0.00 0.00 0.00 179.25 180.04 1dmo h ARG 74 N 0.09 0.30 -0.73 0.00 3.08 -1.02 0.34 114.38 116.43 1dmo h ARG 74 Ca -0.08 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 59.97 1dmo h ARG 74 Cb 1.37 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 31.31 1dmo h ARG 74 CO 0.14 0.20 0.48 -0.22 -1.07 0.00 0.00 179.97 179.49 1dmo h LYS 75 N 0.30 0.92 0.00 0.04 1.63 -1.55 0.12 116.57 118.03 1dmo h LYS 75 Ca 0.16 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.90 1dmo h LYS 75 Cb 0.11 -0.21 0.00 0.00 -0.60 0.00 0.00 32.23 31.53 1dmo h LYS 75 CO -0.14 0.61 0.00 0.52 -3.45 0.00 0.00 179.45 176.99 1dmo h MET 76 N 0.95 0.00 -0.00 1.90 2.86 -0.81 -3.45 114.93 116.38 1dmo h MET 76 Ca 0.27 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.91 1dmo h MET 76 Cb -0.06 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.60 1dmo h MET 76 CO -0.07 0.00 -0.00 1.17 1.06 0.00 0.00 176.91 179.07 1dmo n LYS 77 N -2.78 -2.00 -0.24 1.72 4.81 0.11 -4.58 118.16 115.20 1dmo n LYS 77 Ca 0.03 0.26 0.03 0.00 -0.87 0.00 0.00 58.31 57.76 1dmo n LYS 77 Cb 0.39 -3.79 -0.01 0.00 0.02 0.00 0.00 35.03 31.64 1dmo n LYS 77 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1dmo n ASP 78 N 0.94 -2.95 -0.56 3.14 9.92 -1.24 -3.29 116.55 122.51 1dmo n ASP 78 Ca -0.00 0.26 0.03 0.00 -0.53 0.00 0.00 54.79 54.55 1dmo n ASP 78 Cb 0.26 -0.84 0.11 0.00 -0.64 0.00 0.00 41.12 40.00 1dmo n ASP 78 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 1dmo n THR 79 N -1.33 0.45 -0.81 -3.53 -1.04 -1.26 -4.88 114.28 101.89 1dmo n THR 79 Ca 0.00 -0.34 -0.08 0.00 -2.04 0.00 0.00 64.05 61.59 1dmo n THR 79 Cb 0.11 -0.01 -0.09 0.00 -1.82 0.00 0.00 70.33 68.53 1dmo n THR 79 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1dmo n ASP 80 N 0.17 -1.05 0.00 8.00 9.92 -1.21 -4.72 116.55 127.68 1dmo n ASP 80 Ca 0.08 -0.55 0.00 0.00 -0.53 0.00 0.00 54.79 53.79 1dmo n ASP 80 Cb 0.29 -0.35 0.00 0.00 -0.64 0.00 0.00 41.12 40.42 1dmo n ASP 80 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1dmo n SER 81 N 3.17 0.00 0.16 -2.24 2.88 -1.26 -3.64 113.62 112.69 1dmo n SER 81 Ca 0.26 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.88 1dmo n SER 81 Cb 0.18 0.00 0.47 0.00 -0.75 0.00 0.00 64.21 64.11 1dmo n SER 81 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1dmo n GLU 82 N 0.00 0.11 0.00 -1.46 0.00 -1.26 -0.97 120.64 117.07 1dmo n GLU 82 Ca 0.00 0.60 -0.10 0.00 0.00 0.00 0.00 57.16 57.66 1dmo n GLU 82 Cb 0.00 -2.02 -0.08 0.00 0.00 0.00 0.00 31.44 29.33 1dmo n GLU 82 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 1dmo h GLU 83 N 0.00 -0.11 -1.02 3.44 3.07 -1.91 -1.91 114.58 116.14 1dmo h GLU 83 Ca 0.00 0.01 0.28 0.00 -0.50 0.00 0.00 59.36 59.15 1dmo h GLU 83 Cb 0.30 0.03 -0.06 0.00 -0.84 0.00 0.00 28.75 28.17 1dmo h GLU 83 CO 0.00 0.42 0.71 1.49 -1.40 0.00 0.00 179.01 180.23 1dmo h GLU 84 N -0.88 0.15 -0.15 2.33 4.57 -1.12 0.62 114.58 120.10 1dmo h GLU 84 Ca -0.01 -0.01 -0.14 0.00 -1.18 0.00 0.00 59.36 58.02 1dmo h GLU 84 Cb 0.58 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.14 1dmo h GLU 84 CO 0.02 0.10 -0.44 0.82 -1.18 0.00 0.00 179.01 178.32 1dmo h ILE 85 N 0.15 1.34 -0.40 2.32 2.04 -1.45 -1.67 117.51 119.84 1dmo h ILE 85 Ca 0.52 -1.71 0.08 0.00 1.00 0.00 0.00 64.86 64.75 1dmo h ILE 85 Cb 1.77 2.01 -0.08 0.00 -0.74 0.00 0.00 36.82 39.78 1dmo h ILE 85 CO -0.10 0.52 -0.13 -0.09 0.00 0.00 0.00 178.15 178.35 1dmo h ARG 86 N 0.22 -0.04 -0.17 2.37 2.43 0.11 -0.03 114.38 119.27 1dmo h ARG 86 Ca -0.01 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.04 1dmo h ARG 86 Cb 1.06 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.61 1dmo h ARG 86 CO 0.10 -0.02 -0.41 1.05 -1.51 0.00 0.00 179.97 179.17 1dmo h GLU 87 N -0.04 0.40 -0.90 0.20 4.11 -1.41 -2.50 114.58 114.44 1dmo h GLU 87 Ca 0.20 -0.20 0.26 0.00 0.07 0.00 0.00 59.36 59.69 1dmo h GLU 87 Cb 0.34 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.55 1dmo h GLU 87 CO -0.44 0.74 0.64 0.00 0.07 0.00 0.00 179.01 180.03 1dmo h ALA 88 N 1.24 2.80 0.01 1.06 0.00 -0.02 0.04 119.26 124.39 1dmo h ALA 88 Ca 0.03 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1dmo h ALA 88 Cb 0.86 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1dmo h ALA 88 CO 0.07 -1.06 -0.42 0.74 0.00 0.00 0.00 179.25 178.58 1dmo h PHE 89 N 0.03 0.05 -0.35 0.00 0.04 -1.00 -3.29 116.94 112.43 1dmo h PHE 89 Ca 0.43 -0.04 0.10 0.00 2.80 0.00 0.00 57.97 61.27 1dmo h PHE 89 Cb 1.68 -0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.81 1dmo h PHE 89 CO -0.00 1.16 0.46 -0.09 -0.60 0.00 0.00 178.31 179.24 1dmo h ARG 90 N -0.93 0.00 0.00 1.51 2.43 -0.83 0.21 114.38 116.76 1dmo h ARG 90 Ca -0.11 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 1dmo h ARG 90 Cb 1.15 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.70 1dmo h ARG 90 CO -0.04 0.00 0.05 0.28 -1.51 0.00 0.00 179.97 178.75 1dmo n VAL 91 N -3.53 1.15 -0.38 0.20 0.31 -0.16 -0.21 118.33 115.70 1dmo n VAL 91 Ca 0.06 0.34 0.00 0.00 -0.01 0.00 0.00 64.34 64.73 1dmo n VAL 91 Cb 0.61 -1.34 0.00 0.00 -0.91 0.00 0.00 33.84 32.20 1dmo n VAL 91 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1dmo n PHE 92 N -1.26 0.00 -1.56 3.52 3.01 0.72 -4.95 117.46 116.93 1dmo n PHE 92 Ca 0.00 -0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.30 1dmo n PHE 92 Cb 0.05 -0.00 -0.12 0.00 -0.01 0.00 0.00 39.48 39.40 1dmo n PHE 92 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1dmo n ASP 93 N -0.00 1.38 -0.01 4.37 2.03 0.71 -4.60 116.55 120.42 1dmo n ASP 93 Ca 0.00 -2.50 -0.01 0.00 0.52 0.00 0.00 54.79 52.80 1dmo n ASP 93 Cb 0.10 -1.70 -0.00 0.00 -0.72 0.00 0.00 41.12 38.80 1dmo n ASP 93 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 1dmo h LYS 94 N 11.56 0.00 0.00 -0.67 3.64 -1.91 -3.34 116.57 125.85 1dmo h LYS 94 Ca 0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1dmo h LYS 94 Cb 0.99 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.81 1dmo h LYS 94 CO 1.05 0.00 0.22 -0.40 -2.27 0.00 0.00 179.45 178.04 1dmo n ASP 95 N -2.74 0.00 0.00 4.20 5.75 -1.26 -4.64 116.55 117.85 1dmo n ASP 95 Ca -0.01 0.20 0.00 0.00 -0.01 0.00 0.00 54.79 54.97 1dmo n ASP 95 Cb 0.04 -0.20 0.00 0.00 -1.03 0.00 0.00 41.12 39.93 1dmo n ASP 95 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1dmo n GLY 96 N -1.15 0.00 1.38 6.12 0.00 -1.25 -4.73 105.19 105.55 1dmo n GLY 96 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 1dmo n GLY 96 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1dmo n ASN 97 N -0.19 3.19 -4.08 1.61 2.85 -1.26 -4.86 115.26 112.53 1dmo n ASN 97 Ca 0.00 -2.55 -0.40 0.00 -0.11 0.00 0.00 54.58 51.53 1dmo n ASN 97 Cb 0.30 -0.61 -0.01 0.00 1.24 0.00 0.00 39.78 40.69 1dmo n ASN 97 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1dmo n GLY 98 N -0.05 -0.63 3.28 8.20 0.00 -1.26 -4.93 105.19 109.79 1dmo n GLY 98 Ca 0.20 0.30 0.03 0.00 0.00 0.00 0.00 46.02 46.55 1dmo n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1dmo s TYR 99 N -3.76 -1.21 0.04 1.61 2.02 -1.26 -4.74 117.35 110.04 1dmo s TYR 99 Ca 0.34 1.53 -0.01 0.00 -0.37 0.00 0.00 57.07 58.56 1dmo s TYR 99 Cb -0.17 0.52 -0.04 0.00 -0.40 0.00 0.00 41.96 41.86 1dmo s TYR 99 CO 0.96 -0.64 0.20 0.96 -1.57 0.00 0.00 175.55 175.46 1dmo s ILE 100 N 2.83 5.40 0.50 2.71 -4.36 -0.91 -4.79 121.20 122.58 1dmo s ILE 100 Ca 0.08 -0.31 -0.20 0.00 -0.26 0.00 0.00 60.65 59.96 1dmo s ILE 100 Cb -0.12 -3.60 -0.08 0.00 1.25 0.00 0.00 42.46 39.91 1dmo s ILE 100 CO -0.18 0.20 1.08 -0.44 0.24 0.00 0.00 174.94 175.84 1dmo s SER 101 N -2.32 6.14 0.63 4.36 0.01 -1.26 -0.20 113.70 121.06 1dmo s SER 101 Ca 0.32 2.03 0.41 0.00 1.31 0.00 0.00 55.95 60.03 1dmo s SER 101 Cb -0.13 -2.57 2.13 0.00 0.21 0.00 0.00 66.02 65.66 1dmo s SER 101 CO 0.25 -0.92 2.27 0.00 0.41 0.00 0.00 173.24 175.24 1dmo h ALA 102 N 1.50 1.02 0.31 1.44 0.00 -0.63 -1.14 119.26 121.77 1dmo h ALA 102 Ca -0.50 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.39 1dmo h ALA 102 Cb 1.24 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1dmo h ALA 102 CO 0.58 0.01 -0.15 0.00 0.00 0.00 0.00 179.25 179.69 1dmo h ALA 103 N 2.00 -0.55 -0.80 0.00 0.00 -1.90 -1.88 119.26 116.13 1dmo h ALA 103 Ca -0.00 -0.09 0.18 0.00 0.00 0.00 0.00 54.91 54.99 1dmo h ALA 103 Cb 0.14 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 1dmo h ALA 103 CO 0.00 -0.52 0.54 1.49 0.00 0.00 0.00 179.25 180.76 1dmo h GLU 104 N -0.82 0.33 -0.47 0.00 4.57 -1.90 0.26 114.58 116.55 1dmo h GLU 104 Ca -0.04 -0.02 0.01 0.00 -1.18 0.00 0.00 59.36 58.12 1dmo h GLU 104 Cb 0.32 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.81 1dmo h GLU 104 CO 0.07 0.22 0.31 1.25 -1.18 0.00 0.00 179.01 179.68 1dmo h LEU 105 N 0.34 0.53 -1.29 1.64 6.46 -1.17 -0.05 115.31 121.78 1dmo h LEU 105 Ca 0.40 -0.01 0.18 0.00 -0.12 0.00 0.00 57.88 58.33 1dmo h LEU 105 Cb 1.04 -0.13 -0.08 0.00 -0.73 0.00 0.00 40.66 40.76 1dmo h LEU 105 CO -0.12 0.38 0.60 -0.09 -0.62 0.00 0.00 178.44 178.59 1dmo h ARG 106 N 0.63 0.59 -0.31 1.25 2.43 0.38 0.22 114.38 119.56 1dmo h ARG 106 Ca 0.17 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.29 1dmo h ARG 106 Cb -0.06 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.34 1dmo h ARG 106 CO -0.04 0.39 0.10 1.25 -1.51 0.00 0.00 179.97 180.15 1dmo h HIS 107 N 0.60 0.49 -0.83 2.20 2.76 -0.77 -2.19 115.15 117.42 1dmo h HIS 107 Ca 0.50 -0.05 0.11 0.00 -2.20 0.00 0.00 60.37 58.73 1dmo h HIS 107 Cb 0.96 -0.14 -0.06 0.00 1.55 0.00 0.00 27.41 29.72 1dmo h HIS 107 CO -0.00 0.50 0.54 0.28 -1.30 0.00 0.00 177.93 177.95 1dmo h VAL 108 N 0.34 0.92 0.00 5.26 2.07 0.29 0.49 116.25 125.62 1dmo h VAL 108 Ca 0.10 -0.25 -0.03 0.00 0.82 0.00 0.00 66.70 67.34 1dmo h VAL 108 Cb 0.24 0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 30.13 1dmo h VAL 108 CO -0.00 0.13 -0.15 0.24 0.02 0.00 0.00 177.57 177.81 1dmo h MET 109 N 0.72 0.00 -0.06 1.57 2.07 -0.73 -2.26 114.93 116.24 1dmo h MET 109 Ca 0.39 0.00 -0.15 0.00 -2.07 0.00 0.00 59.70 57.87 1dmo h MET 109 Cb 0.53 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 30.24 1dmo h MET 109 CO -0.16 0.15 -0.64 1.15 1.07 0.00 0.00 176.91 178.48 1dmo h THR 110 N 0.00 1.40 0.19 2.22 2.02 0.57 0.25 112.91 119.56 1dmo h THR 110 Ca -0.00 -2.06 -0.01 0.00 0.77 0.00 0.00 66.41 65.11 1dmo h THR 110 Cb 0.62 2.06 0.00 0.00 -1.74 0.00 0.00 68.15 69.09 1dmo h THR 110 CO 0.02 0.61 -0.09 -1.13 0.37 0.00 0.00 175.52 175.30 1dmo h ASN 111 N 0.17 -0.22 -0.27 4.18 -0.00 -0.89 -3.31 115.58 115.25 1dmo h ASN 111 Ca -0.01 -0.25 -0.01 0.00 -0.00 0.00 0.00 56.30 56.04 1dmo h ASN 111 Cb 1.16 0.06 -0.01 0.00 -0.00 0.00 0.00 38.32 39.52 1dmo h ASN 111 CO 0.10 0.33 0.14 -0.07 -0.00 0.00 0.00 177.43 177.93 1dmo h LEU 112 N -0.97 0.34 -3.07 0.34 3.38 -1.52 -3.47 115.31 110.34 1dmo h LEU 112 Ca -0.03 -0.09 -0.35 0.00 0.09 0.00 0.00 57.88 57.50 1dmo h LEU 112 Cb 0.45 -0.09 0.01 0.00 0.09 0.00 0.00 40.66 41.12 1dmo h LEU 112 CO 0.04 0.33 -0.92 0.61 0.09 0.00 0.00 178.44 178.60 1dmo n GLY 113 N -0.93 -0.40 0.00 0.83 0.00 0.89 -4.93 105.19 100.66 1dmo n GLY 113 Ca -0.02 0.70 0.00 0.00 0.00 0.00 0.00 46.02 46.70 1dmo n GLY 113 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1dmo n GLU 114 N -1.10 0.00 -0.87 1.61 1.02 -1.26 -4.90 120.64 115.14 1dmo n GLU 114 Ca -0.16 0.04 -0.01 0.00 -0.02 0.00 0.00 57.16 57.02 1dmo n GLU 114 Cb 0.54 -0.44 -0.01 0.00 -0.02 0.00 0.00 31.44 31.51 1dmo n GLU 114 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1dmo n LYS 115 N -0.87 0.00 -3.78 3.49 4.76 -1.26 -5.03 118.16 115.47 1dmo n LYS 115 Ca 0.00 -1.00 -0.35 0.00 -2.87 0.00 0.00 58.31 54.08 1dmo n LYS 115 Cb 0.00 -0.01 -0.11 0.00 -1.84 0.00 0.00 35.03 33.06 1dmo n LYS 115 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1dmo s LEU 116 N 0.00 5.14 1.32 -0.35 1.43 -1.26 -5.03 118.68 119.93 1dmo s LEU 116 Ca 0.09 -2.49 -0.19 0.00 -1.03 0.00 0.00 54.13 50.50 1dmo s LEU 116 Cb 0.10 -1.81 0.32 0.00 0.03 0.00 0.00 46.19 44.82 1dmo s LEU 116 CO -0.04 -0.43 0.80 0.35 0.23 0.00 0.00 176.35 177.26 1dmo n THR 117 N 3.96 0.00 -0.01 5.49 -2.24 -1.26 -4.24 114.28 115.97 1dmo n THR 117 Ca 0.03 -0.19 0.14 0.00 -2.27 0.00 0.00 64.05 61.76 1dmo n THR 117 Cb 0.39 -0.91 0.58 0.00 -2.10 0.00 0.00 70.33 68.28 1dmo n THR 117 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1dmo h ASP 118 N -3.17 0.20 0.01 3.42 3.32 -1.98 0.13 116.42 118.36 1dmo h ASP 118 Ca -0.47 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.36 1dmo h ASP 118 Cb 1.28 -0.04 0.01 0.00 0.22 0.00 0.00 39.33 40.80 1dmo h ASP 118 CO 0.33 0.12 -0.82 -0.33 -1.72 0.00 0.00 179.24 176.81 1dmo h GLU 119 N 0.22 0.66 -0.22 3.56 4.39 -1.98 -1.07 114.58 120.15 1dmo h GLU 119 Ca 0.24 -0.58 -0.17 0.00 0.34 0.00 0.00 59.36 59.18 1dmo h GLU 119 Cb 0.63 0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 29.41 1dmo h GLU 119 CO -0.04 1.19 -0.56 0.93 -1.16 0.00 0.00 179.01 179.36 1dmo h GLU 120 N 0.43 0.67 -0.09 2.33 4.39 -1.43 -0.43 114.58 120.45 1dmo h GLU 120 Ca -0.06 -0.43 -0.18 0.00 0.34 0.00 0.00 59.36 59.03 1dmo h GLU 120 Cb 1.45 0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 30.14 1dmo h GLU 120 CO 0.16 1.05 -0.70 0.28 -1.16 0.00 0.00 179.01 178.64 1dmo h VAL 121 N 0.51 1.37 -0.13 3.13 2.07 -0.82 -2.46 116.25 119.92 1dmo h VAL 121 Ca 0.01 -2.08 -0.20 0.00 0.82 0.00 0.00 66.70 65.25 1dmo h VAL 121 Cb 1.13 2.05 0.00 0.00 -1.52 0.00 0.00 31.29 32.96 1dmo h VAL 121 CO 0.11 0.63 -0.72 -0.78 0.02 0.00 0.00 177.57 176.83 1dmo h ASP 122 N 0.30 0.73 -0.51 0.57 3.58 -1.13 -0.15 116.42 119.81 1dmo h ASP 122 Ca -0.02 -0.46 -0.05 0.00 0.42 0.00 0.00 57.03 56.92 1dmo h ASP 122 Cb 1.26 -0.21 -0.03 0.00 1.72 0.00 0.00 39.33 42.08 1dmo h ASP 122 CO 0.12 1.23 0.15 -0.08 -2.88 0.00 0.00 179.24 177.78 1dmo h GLU 123 N 0.43 0.86 0.05 0.28 4.22 -1.02 -1.05 114.58 118.35 1dmo h GLU 123 Ca -0.03 -0.17 -0.21 0.00 0.08 0.00 0.00 59.36 59.03 1dmo h GLU 123 Cb 1.32 -0.13 0.02 0.00 0.50 0.00 0.00 28.75 30.46 1dmo h GLU 123 CO 0.14 0.76 -0.85 1.98 -2.18 0.00 0.00 179.01 178.86 1dmo h MET 124 N 0.83 0.48 -0.48 1.92 4.05 -1.35 -3.21 114.93 117.17 1dmo h MET 124 Ca 0.18 -0.59 0.04 0.00 -0.28 0.00 0.00 59.70 59.06 1dmo h MET 124 Cb 0.28 0.18 -0.03 0.00 -0.80 0.00 0.00 31.60 31.24 1dmo h MET 124 CO -0.00 1.22 0.32 0.82 0.23 0.00 0.00 176.91 179.50 1dmo h ILE 125 N 0.00 1.01 0.00 1.77 2.04 -0.82 0.21 117.51 121.73 1dmo h ILE 125 Ca -0.12 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.57 1dmo h ILE 125 Cb 1.56 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 38.13 1dmo h ILE 125 CO 0.16 0.09 0.00 -0.09 0.00 0.00 0.00 178.15 178.31 1dmo h ARG 126 N 0.48 0.00 -0.04 2.37 2.43 -1.19 -0.34 114.38 118.09 1dmo h ARG 126 Ca 0.20 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.37 1dmo h ARG 126 Cb 0.20 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 1dmo h ARG 126 CO -0.05 0.00 0.00 0.39 -1.51 0.00 0.00 179.97 178.80 1dmo n GLU 127 N -2.44 1.61 -0.11 0.20 1.02 0.72 -4.75 120.64 116.90 1dmo n GLU 127 Ca -0.02 -2.59 0.00 0.00 -0.02 0.00 0.00 57.16 54.54 1dmo n GLU 127 Cb 0.06 -1.54 0.00 0.00 -0.02 0.00 0.00 31.44 29.94 1dmo n GLU 127 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1dmo n ALA 128 N -1.25 2.56 -3.57 0.62 0.00 -0.14 -4.67 120.51 114.07 1dmo n ALA 128 Ca 0.16 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.37 1dmo n ALA 128 Cb 0.67 -1.09 0.08 0.00 0.00 0.00 0.00 19.45 19.11 1dmo n ALA 128 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1dmo n ASN 129 N 0.96 -5.82 -4.92 0.00 5.15 -1.26 -4.84 115.26 104.52 1dmo n ASN 129 Ca 0.00 -0.54 -0.27 0.00 -0.60 0.00 0.00 54.58 53.17 1dmo n ASN 129 Cb 0.36 -5.00 -0.02 0.00 -0.53 0.00 0.00 39.78 34.59 1dmo n ASN 129 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1dmo s ILE 130 N -3.32 5.02 0.00 -1.44 1.01 -1.26 -4.92 121.20 116.29 1dmo s ILE 130 Ca 0.51 -0.10 0.00 0.00 0.00 0.00 0.00 60.65 61.06 1dmo s ILE 130 Cb -0.22 -3.81 0.00 0.00 0.01 0.00 0.00 42.46 38.43 1dmo s ILE 130 CO 0.72 -0.53 0.00 -0.90 0.00 0.00 0.00 174.94 174.23 1dmo n ASP 131 N -1.56 0.00 0.00 3.58 5.68 -1.26 -5.03 116.55 117.96 1dmo n ASP 131 Ca -0.02 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.27 1dmo n ASP 131 Cb 0.55 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.53 1dmo n ASP 131 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1dmo n GLY 132 N -0.62 -0.88 0.00 6.12 0.00 -1.26 -5.01 105.19 103.54 1dmo n GLY 132 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1dmo n GLY 132 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1dmo n ASP 133 N -1.42 0.00 -0.33 1.61 5.75 -1.26 -5.03 116.55 115.87 1dmo n ASP 133 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1dmo n ASP 133 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1dmo n ASP 133 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1dmo n GLY 134 N 0.61 -0.12 3.77 6.12 0.00 -1.26 -5.06 105.19 109.25 1dmo n GLY 134 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1dmo n GLY 134 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1dmo s GLN 135 N 0.00 3.09 -0.21 1.61 -0.21 -1.26 0.10 119.66 122.78 1dmo s GLN 135 Ca 0.00 1.49 -0.04 0.00 0.02 0.00 0.00 55.36 56.83 1dmo s GLN 135 Cb 0.00 -1.98 0.11 0.00 1.00 0.00 0.00 33.01 32.14 1dmo s GLN 135 CO 0.00 -1.04 0.34 0.08 -2.12 0.00 0.00 175.29 172.55 1dmo s VAL 136 N -2.06 -0.53 -1.09 1.09 1.01 0.72 -4.72 120.40 114.81 1dmo s VAL 136 Ca 0.70 0.02 -0.24 0.00 0.00 0.00 0.00 61.98 62.46 1dmo s VAL 136 Cb -0.22 -0.70 -0.09 0.00 0.00 0.00 0.00 36.38 35.37 1dmo s VAL 136 CO 0.34 -0.07 1.96 0.20 0.00 0.00 0.00 175.10 177.54 1dmo s ASN 137 N 2.50 4.93 0.24 3.32 0.01 -1.26 -2.14 114.94 122.53 1dmo s ASN 137 Ca 0.07 -1.30 -0.03 0.00 -0.71 0.00 0.00 52.86 50.90 1dmo s ASN 137 Cb -0.14 -2.58 0.49 0.00 0.41 0.00 0.00 41.25 39.42 1dmo s ASN 137 CO -0.13 -3.12 1.26 0.00 -1.51 0.00 0.00 177.10 173.60 1dmo n TYR 138 N 14.73 0.39 -0.23 2.20 0.18 -1.26 0.17 117.16 133.34 1dmo n TYR 138 Ca 0.43 0.98 0.04 0.00 1.88 0.00 0.00 57.90 61.23 1dmo n TYR 138 Cb 0.47 -1.03 0.15 0.00 -0.38 0.00 0.00 39.34 38.55 1dmo n TYR 138 CO 0.00 0.00 0.00 1.05 -2.08 0.00 0.00 176.86 175.83 1dmo h GLU 139 N 0.00 0.21 0.00 -3.48 4.11 -1.93 1.12 114.58 114.61 1dmo h GLU 139 Ca 0.43 -0.01 -0.10 0.00 0.07 0.00 0.00 59.36 59.75 1dmo h GLU 139 Cb 0.78 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 1dmo h GLU 139 CO -0.80 0.14 -0.48 0.93 0.07 0.00 0.00 179.01 178.88 1dmo h GLU 140 N 0.22 0.00 0.00 1.06 4.39 0.13 -2.34 114.58 118.04 1dmo h GLU 140 Ca 0.38 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 60.05 1dmo h GLU 140 Cb 0.64 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.29 1dmo h GLU 140 CO -0.52 0.48 -0.17 0.35 -1.16 0.00 0.00 179.01 177.99 1dmo h PHE 141 N 0.00 0.00 0.00 4.33 3.57 0.29 -2.40 116.94 122.73 1dmo h PHE 141 Ca -0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1dmo h PHE 141 Cb 0.95 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.69 1dmo h PHE 141 CO 0.00 0.17 0.00 0.28 -2.23 0.00 0.00 178.31 176.53 1dmo h VAL 142 N 0.00 0.00 0.09 1.41 2.07 0.14 -2.87 116.25 117.09 1dmo h VAL 142 Ca -0.00 -0.63 -0.33 0.00 0.82 0.00 0.00 66.70 66.56 1dmo h VAL 142 Cb 0.77 1.59 -0.02 0.00 -1.52 0.00 0.00 31.29 32.11 1dmo h VAL 142 CO 0.02 0.00 -1.80 0.00 0.02 0.00 0.00 177.57 175.81 1dmo n GLN 143 N -2.67 0.70 -0.02 1.57 1.13 -0.93 -4.25 117.38 112.91 1dmo n GLN 143 Ca 0.04 0.35 -0.11 0.00 -1.94 0.00 0.00 57.00 55.34 1dmo n GLN 143 Cb 0.42 -1.71 -0.06 0.00 0.11 0.00 0.00 30.24 29.00 1dmo n GLN 143 CO 0.00 0.00 0.00 1.98 -1.44 0.00 0.00 177.06 177.60 1dmo h MET 144 N -0.26 0.15 -1.39 -1.09 4.05 -1.53 0.14 114.93 115.01 1dmo h MET 144 Ca -0.41 -0.02 0.43 0.00 -0.28 0.00 0.00 59.70 59.42 1dmo h MET 144 Cb 1.81 -0.03 -0.11 0.00 -0.80 0.00 0.00 31.60 32.48 1dmo h MET 144 CO -0.01 0.21 0.93 0.52 0.23 0.00 0.00 176.91 178.79 1dmo h MET 145 N 0.06 0.09 0.00 0.39 2.86 -1.70 -3.07 114.93 113.57 1dmo h MET 145 Ca 0.04 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 1dmo h MET 145 Cb 0.10 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.74 1dmo h MET 145 CO -0.01 0.06 -0.08 0.25 1.06 0.00 0.00 176.91 178.20 1dmo n THR 146 N -4.51 0.14 -0.69 2.22 -2.24 -0.91 -5.11 114.28 103.17 1dmo n THR 146 Ca 0.36 0.47 0.00 0.00 -2.27 0.00 0.00 64.05 62.61 1dmo n THR 146 Cb 1.45 -1.58 0.00 0.00 -2.10 0.00 0.00 70.33 68.10 1dmo n THR 146 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1dmo n ALA 147 N -2.58 -1.60 1.66 6.98 0.00 0.46 -5.13 120.51 120.30 1dmo n ALA 147 Ca -0.01 0.20 0.15 0.00 0.00 0.00 0.00 53.44 53.78 1dmo n ALA 147 Cb 0.04 -0.90 0.66 0.00 0.00 0.00 0.00 19.45 19.25 1dmo n ALA 147 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13