#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dav h TRP 2 N 0.00 0.95 -0.29 0.66 4.06 -2.02 -3.23 115.95 116.08 3dav h TRP 2 Ca 0.00 -0.27 -0.02 0.00 2.06 0.00 0.00 58.89 60.66 3dav h TRP 2 Cb 0.00 -0.21 -0.02 0.00 -1.00 0.00 0.00 29.16 27.94 3dav h TRP 2 CO 0.00 1.04 0.07 0.37 -3.56 0.00 0.00 178.44 176.36 3dav h GLN 3 N 0.59 0.42 -0.23 0.49 5.75 -1.96 -1.60 115.11 118.57 3dav h GLN 3 Ca 0.07 -0.06 -0.04 0.00 -0.15 0.00 0.00 58.65 58.46 3dav h GLN 3 Cb 0.85 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 29.31 3dav h GLN 3 CO 0.07 0.39 -0.05 0.00 -2.65 0.00 0.00 178.83 176.59 3dav h ALA 4 N 1.67 1.48 -0.22 3.38 0.00 -1.98 0.07 119.26 123.66 3dav h ALA 4 Ca 0.10 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 3dav h ALA 4 Cb 0.16 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3dav h ALA 4 CO -0.00 0.37 -0.14 1.88 0.00 0.00 0.00 179.25 181.36 3dav h TYR 5 N 0.35 0.39 0.23 0.00 0.05 -1.31 0.47 116.97 117.14 3dav h TYR 5 Ca 0.07 -0.05 -0.01 0.00 0.05 0.00 0.00 58.73 58.79 3dav h TYR 5 Cb 0.32 -0.11 0.00 0.00 1.01 0.00 0.00 36.73 37.96 3dav h TYR 5 CO 0.01 0.50 -0.11 0.28 -1.05 0.00 0.00 178.16 177.78 3dav h VAL 6 N 0.34 0.54 0.48 -2.88 2.07 -1.33 0.20 116.25 115.67 3dav h VAL 6 Ca 0.06 -0.96 -0.02 0.00 0.82 0.00 0.00 66.70 66.60 3dav h VAL 6 Cb 0.45 0.91 -0.00 0.00 -1.52 0.00 0.00 31.29 31.13 3dav h VAL 6 CO 0.03 0.14 -0.27 0.44 0.02 0.00 0.00 177.57 177.93 3dav h ASP 7 N -0.96 -0.66 0.00 0.57 5.19 -0.92 0.89 116.42 120.53 3dav h ASP 7 Ca -0.03 0.03 -0.08 0.00 -0.62 0.00 0.00 57.03 56.34 3dav h ASP 7 Cb 0.47 0.19 -0.01 0.00 0.18 0.00 0.00 39.33 40.15 3dav h ASP 7 CO 0.05 -0.43 -0.86 0.41 -3.12 0.00 0.00 179.24 175.29 3dav n THR 8 N -5.40 1.46 -0.13 0.35 -1.04 0.14 -2.52 114.28 107.14 3dav n THR 8 Ca -0.11 0.12 -0.10 0.00 -2.04 0.00 0.00 64.05 61.91 3dav n THR 8 Cb 0.30 -2.28 -0.02 0.00 -1.82 0.00 0.00 70.33 66.51 3dav n THR 8 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 3dav h SER 9 N -1.00 0.60 0.00 8.00 0.02 -1.31 -1.65 113.55 118.21 3dav h SER 9 Ca -0.12 -0.26 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 3dav h SER 9 Cb 0.81 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.20 3dav h SER 9 CO -0.07 0.71 -0.30 -0.07 -1.14 0.00 0.00 176.83 175.96 3dav h LEU 10 N 0.46 0.00 -1.36 5.07 3.38 -0.53 -3.40 115.31 118.94 3dav h LEU 10 Ca 0.11 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 3dav h LEU 10 Cb 0.37 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 3dav h LEU 10 CO 0.01 0.52 -0.29 -0.07 0.09 0.00 0.00 178.44 178.70 3dav h LEU 11 N -0.73 0.00 0.00 1.67 3.38 -0.92 -2.95 115.31 115.76 3dav h LEU 11 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3dav h LEU 11 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3dav h LEU 11 CO 0.00 0.29 0.00 0.61 0.09 0.00 0.00 178.44 179.43 3dav n GLY 12 N -0.31 -0.78 0.14 0.83 0.00 -0.62 -2.46 105.19 101.99 3dav n GLY 12 Ca -0.01 -0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.07 3dav n GLY 12 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3dav h THR 13 N 0.00 0.00 0.00 2.61 1.35 -1.67 -3.47 112.91 111.73 3dav h THR 13 Ca 0.00 -0.55 0.00 0.00 -0.55 0.00 0.00 66.41 65.31 3dav h THR 13 Cb 0.15 1.51 0.00 0.00 -1.73 0.00 0.00 68.15 68.08 3dav h THR 13 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 3dav n GLY 14 N 1.06 1.37 0.00 5.82 0.00 -1.03 -4.79 105.19 107.62 3dav n GLY 14 Ca 0.05 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.11 3dav n GLY 14 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dav n LYS 15 N -2.00 3.03 -4.10 1.61 5.02 -1.26 -4.85 118.16 115.60 3dav n LYS 15 Ca 0.00 -0.02 -0.32 0.00 -2.02 0.00 0.00 58.31 55.94 3dav n LYS 15 Cb 0.00 -1.01 -0.16 0.00 -0.02 0.00 0.00 35.03 33.84 3dav n LYS 15 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3dav s ILE 16 N -2.08 2.04 -0.13 -0.18 1.01 -1.26 -4.53 121.20 116.07 3dav s ILE 16 Ca 0.02 -1.09 0.18 0.00 0.00 0.00 0.00 60.65 59.76 3dav s ILE 16 Cb 0.07 -1.93 -0.19 0.00 0.01 0.00 0.00 42.46 40.42 3dav s ILE 16 CO 0.39 0.39 0.61 -0.90 0.00 0.00 0.00 174.94 175.43 3dav n ASP 17 N 4.59 0.55 -3.88 3.58 5.75 -1.03 -4.16 116.55 121.94 3dav n ASP 17 Ca -0.19 0.24 -0.11 0.00 -0.01 0.00 0.00 54.79 54.72 3dav n ASP 17 Cb 0.48 0.62 -0.11 0.00 -1.03 0.00 0.00 41.12 41.09 3dav n ASP 17 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3dav s ARG 18 N -2.93 0.39 0.03 0.11 1.70 -1.25 -5.02 118.95 111.99 3dav s ARG 18 Ca -0.05 -0.34 -0.22 0.00 -0.47 0.00 0.00 55.73 54.66 3dav s ARG 18 Cb 0.09 0.16 0.05 0.00 -0.57 0.00 0.00 34.95 34.68 3dav s ARG 18 CO 0.83 -0.09 0.49 0.00 -1.08 0.00 0.00 175.30 175.46 3dav s ALA 19 N -1.14 -1.25 0.04 7.88 0.00 -1.26 -1.01 121.76 125.02 3dav s ALA 19 Ca -0.12 0.57 -0.01 0.00 0.00 0.00 0.00 51.96 52.40 3dav s ALA 19 Cb -0.07 0.31 -0.03 0.00 0.00 0.00 0.00 23.12 23.33 3dav s ALA 19 CO 0.01 -0.46 -0.02 0.00 0.00 0.00 0.00 175.76 175.29 3dav s ALA 20 N -2.25 0.35 -0.19 0.00 0.00 0.30 -1.49 121.76 118.49 3dav s ALA 20 Ca -0.06 -0.98 0.01 0.00 0.00 0.00 0.00 51.96 50.93 3dav s ALA 20 Cb -0.01 0.23 0.03 0.00 0.00 0.00 0.00 23.12 23.38 3dav s ALA 20 CO -0.00 -0.30 -0.13 0.42 0.00 0.00 0.00 175.76 175.74 3dav s ILE 21 N -3.09 1.73 0.16 0.00 1.01 0.48 -0.07 121.20 121.42 3dav s ILE 21 Ca -0.01 -0.93 0.09 0.00 0.00 0.00 0.00 60.65 59.80 3dav s ILE 21 Cb 0.02 -1.71 -0.04 0.00 0.01 0.00 0.00 42.46 40.74 3dav s ILE 21 CO -0.07 0.30 -0.15 0.68 0.00 0.00 0.00 174.94 175.70 3dav s VAL 22 N 1.38 2.94 0.25 2.92 -7.23 -0.27 0.14 120.40 120.54 3dav s VAL 22 Ca 0.01 -1.65 -0.31 0.00 -1.81 0.00 0.00 61.98 58.22 3dav s VAL 22 Cb -0.15 -2.41 -0.14 0.00 0.56 0.00 0.00 36.38 34.24 3dav s VAL 22 CO -0.09 -0.03 1.33 -0.24 -0.31 0.00 0.00 175.10 175.75 3dav n SER 23 N 0.35 2.47 -0.21 4.85 2.88 0.37 -0.05 113.62 124.28 3dav n SER 23 Ca -0.13 1.15 0.14 0.00 -1.33 0.00 0.00 58.87 58.71 3dav n SER 23 Cb 0.54 -1.40 0.45 0.00 -0.75 0.00 0.00 64.21 63.06 3dav n SER 23 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 3dav h ARG 24 N 3.70 0.51 0.00 -1.46 2.47 -1.69 0.15 114.38 118.06 3dav h ARG 24 Ca -0.45 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.24 3dav h ARG 24 Cb 1.29 -0.11 0.00 0.00 -1.65 0.00 0.00 29.97 29.49 3dav h ARG 24 CO 0.72 0.34 0.00 0.00 0.56 0.00 0.00 179.97 181.59 3dav n ALA 25 N -2.49 2.15 -1.57 0.04 0.00 -1.26 -4.79 120.51 112.58 3dav n ALA 25 Ca 0.15 -0.10 -0.09 0.00 0.00 0.00 0.00 53.44 53.40 3dav n ALA 25 Cb 0.51 -1.38 -0.03 0.00 0.00 0.00 0.00 19.45 18.54 3dav n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dav n GLY 26 N 0.81 0.73 0.44 0.00 0.00 0.04 -4.93 105.19 102.28 3dav n GLY 26 Ca 0.09 -0.57 0.08 0.00 0.00 0.00 0.00 46.02 45.62 3dav n GLY 26 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3dav n ASP 27 N 0.38 1.80 -3.49 1.61 5.75 -1.26 -3.62 116.55 117.72 3dav n ASP 27 Ca -0.10 -1.40 -0.13 0.00 -0.01 0.00 0.00 54.79 53.15 3dav n ASP 27 Cb 0.40 0.33 -0.03 0.00 -1.03 0.00 0.00 41.12 40.78 3dav n ASP 27 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 3dav s SER 28 N -1.67 -0.52 -0.32 -1.12 1.04 -1.26 -5.04 113.70 104.81 3dav s SER 28 Ca 0.14 0.25 -0.14 0.00 0.48 0.00 0.00 55.95 56.68 3dav s SER 28 Cb 0.13 0.50 -0.02 0.00 0.10 0.00 0.00 66.02 66.72 3dav s SER 28 CO 0.33 -0.71 0.33 -0.69 0.98 0.00 0.00 173.24 173.48 3dav s VAL 29 N -2.58 5.20 -0.01 5.02 1.01 -1.26 -0.48 120.40 127.30 3dav s VAL 29 Ca -0.02 0.12 0.11 0.00 0.00 0.00 0.00 61.98 62.20 3dav s VAL 29 Cb -0.01 -3.76 -0.14 0.00 0.00 0.00 0.00 36.38 32.47 3dav s VAL 29 CO -0.04 -0.00 1.13 -0.50 0.00 0.00 0.00 175.10 175.69 3dav h TRP 30 N 8.41 0.00 -2.62 5.22 6.55 -0.64 -3.47 115.95 129.40 3dav h TRP 30 Ca -0.31 0.00 -0.10 0.00 0.95 0.00 0.00 58.89 59.44 3dav h TRP 30 Cb 1.15 0.00 -0.20 0.00 -0.86 0.00 0.00 29.16 29.25 3dav h TRP 30 CO 0.71 0.83 -0.10 0.00 -1.05 0.00 0.00 178.44 178.82 3dav s ALA 31 N -2.77 -1.17 -0.21 1.49 0.00 -0.88 -4.58 121.76 113.63 3dav s ALA 31 Ca 0.00 0.85 -0.21 0.00 0.00 0.00 0.00 51.96 52.60 3dav s ALA 31 Cb 0.09 -0.13 0.06 0.00 0.00 0.00 0.00 23.12 23.14 3dav s ALA 31 CO 0.80 -0.29 0.59 0.00 0.00 0.00 0.00 175.76 176.87 3dav s ALA 32 N -0.96 -1.46 0.47 0.00 0.00 -1.26 -0.39 121.76 118.16 3dav s ALA 32 Ca -0.10 1.64 -0.21 0.00 0.00 0.00 0.00 51.96 53.29 3dav s ALA 32 Cb -0.03 -0.93 -0.09 0.00 0.00 0.00 0.00 23.12 22.07 3dav s ALA 32 CO 0.05 -0.28 1.02 -1.54 0.00 0.00 0.00 175.76 175.01 3dav s SER 33 N 0.25 6.52 0.04 0.00 1.04 -0.56 -4.93 113.70 116.06 3dav s SER 33 Ca -0.00 1.88 -0.36 0.00 0.48 0.00 0.00 55.95 57.95 3dav s SER 33 Cb -0.04 -2.56 -0.15 0.00 0.10 0.00 0.00 66.02 63.37 3dav s SER 33 CO 0.01 -0.66 1.53 0.00 0.98 0.00 0.00 173.24 175.10 3dav n ALA 34 N -0.81 0.05 -0.91 5.32 0.00 -1.26 -1.53 120.51 121.38 3dav n ALA 34 Ca 0.08 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.98 3dav n ALA 34 Cb 0.53 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.75 3dav n ALA 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dav n GLY 35 N 3.22 1.13 3.40 0.00 0.00 -1.26 -4.96 105.19 106.72 3dav n GLY 35 Ca 0.19 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.76 3dav n GLY 35 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3dav s PHE 36 N -3.89 3.39 -0.39 1.61 5.99 -0.58 -5.02 117.98 119.09 3dav s PHE 36 Ca 0.00 -1.64 -0.15 0.00 0.00 0.00 0.00 56.93 55.14 3dav s PHE 36 Cb 0.00 -4.09 0.01 0.00 0.00 0.00 0.00 43.02 38.94 3dav s PHE 36 CO 0.00 -1.28 0.29 -0.80 -0.00 0.00 0.00 175.22 173.43 3dav s ASN 37 N 3.01 6.10 -0.25 6.13 0.01 -1.26 -4.67 114.94 124.02 3dav s ASN 37 Ca 0.26 -0.78 -0.10 0.00 -0.71 0.00 0.00 52.86 51.53 3dav s ASN 37 Cb -0.07 -2.16 -0.05 0.00 0.41 0.00 0.00 41.25 39.38 3dav s ASN 37 CO -0.09 -0.41 0.16 -0.76 -1.51 0.00 0.00 177.10 174.49 3dav s LEU 38 N 1.71 4.07 0.70 0.60 1.43 -1.26 -4.24 118.68 121.69 3dav s LEU 38 Ca 0.06 0.08 -0.11 0.00 -1.03 0.00 0.00 54.13 53.13 3dav s LEU 38 Cb -0.19 -2.10 0.01 0.00 0.03 0.00 0.00 46.19 43.95 3dav s LEU 38 CO 0.10 0.05 1.06 -0.94 0.23 0.00 0.00 176.35 176.85 3dav s SER 39 N 1.18 5.31 0.22 2.29 1.04 -1.26 -4.84 113.70 117.63 3dav s SER 39 Ca 0.07 1.64 -0.08 0.00 0.48 0.00 0.00 55.95 58.06 3dav s SER 39 Cb -0.14 -2.50 0.32 0.00 0.10 0.00 0.00 66.02 63.81 3dav s SER 39 CO 0.06 -1.49 1.74 -0.65 0.98 0.00 0.00 173.24 173.87 3dav h PRO 40 N -0.73 0.39 -0.65 4.02 0.11 -1.98 -1.12 132.00 132.04 3dav h PRO 40 Ca -0.44 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.60 3dav h PRO 40 Cb 1.21 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.21 3dav h PRO 40 CO 0.56 0.26 0.23 1.96 -0.21 0.00 0.00 178.00 180.81 3dav h GLN 41 N 0.40 0.99 -0.18 1.05 7.50 -1.95 -1.29 115.11 121.64 3dav h GLN 41 Ca 0.33 -0.19 -0.00 0.00 0.50 0.00 0.00 58.65 59.29 3dav h GLN 41 Cb 0.45 -0.15 -0.01 0.00 0.05 0.00 0.00 27.48 27.82 3dav h GLN 41 CO -0.34 0.85 0.11 0.93 -1.50 0.00 0.00 178.83 178.87 3dav h GLU 42 N 0.93 0.24 0.00 1.46 5.08 -1.76 -1.43 114.58 119.10 3dav h GLU 42 Ca 0.21 -0.02 -0.11 0.00 -1.00 0.00 0.00 59.36 58.44 3dav h GLU 42 Cb 0.25 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 3dav h GLU 42 CO -0.01 0.20 -0.54 -0.84 -1.00 0.00 0.00 179.01 176.81 3dav h ILE 43 N 0.21 1.35 -0.18 3.13 3.07 -1.09 -1.71 117.51 122.29 3dav h ILE 43 Ca 0.06 -1.89 -0.03 0.00 1.55 0.00 0.00 64.86 64.55 3dav h ILE 43 Cb 0.02 2.03 -0.01 0.00 -0.27 0.00 0.00 36.82 38.60 3dav h ILE 43 CO -0.01 0.53 0.01 1.56 -1.05 0.00 0.00 178.15 179.19 3dav h GLN 44 N 0.00 0.31 -0.80 0.16 4.20 -1.16 -2.36 115.11 115.46 3dav h GLN 44 Ca -0.01 -0.10 -0.01 0.00 0.06 0.00 0.00 58.65 58.60 3dav h GLN 44 Cb 0.99 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 28.70 3dav h GLN 44 CO 0.07 0.51 0.48 0.78 -0.67 0.00 0.00 178.83 180.00 3dav h GLY 45 N 0.07 1.16 0.99 3.46 0.00 -1.08 -1.86 103.07 105.82 3dav h GLY 45 Ca 0.05 -0.48 -0.10 0.00 0.00 0.00 0.00 47.33 46.80 3dav h GLY 45 CO 0.01 0.47 -0.15 -2.00 0.00 0.00 0.00 176.54 174.86 3dav h LEU 46 N 1.10 0.80 -0.97 3.11 5.85 -1.29 -1.84 115.31 122.08 3dav h LEU 46 Ca 0.29 -0.39 -0.04 0.00 0.84 0.00 0.00 57.88 58.58 3dav h LEU 46 Cb -0.04 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.74 3dav h LEU 46 CO -0.05 1.01 0.30 0.00 -0.34 0.00 0.00 178.44 179.36 3dav h ALA 47 N 0.81 1.19 -0.46 1.25 0.00 -1.19 -1.95 119.26 118.92 3dav h ALA 47 Ca 0.09 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 3dav h ALA 47 Cb 0.69 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3dav h ALA 47 CO 0.05 0.60 -0.10 0.00 0.00 0.00 0.00 179.25 179.79 3dav h ALA 48 N 1.30 0.95 -0.64 0.00 0.00 -1.25 -2.71 119.26 116.92 3dav h ALA 48 Ca 0.24 -0.32 0.07 0.00 0.00 0.00 0.00 54.91 54.90 3dav h ALA 48 Cb 0.17 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 17.72 3dav h ALA 48 CO -0.02 0.62 0.31 0.78 0.00 0.00 0.00 179.25 180.94 3dav h GLY 49 N 0.97 0.92 1.99 0.00 0.00 -0.62 -2.02 103.07 104.31 3dav h GLY 49 Ca 0.13 -0.20 -0.06 0.00 0.00 0.00 0.00 47.33 47.19 3dav h GLY 49 CO 0.04 0.08 -0.28 0.74 0.00 0.00 0.00 176.54 177.12 3dav h PHE 50 N 0.56 0.02 0.00 5.60 0.04 -1.07 0.16 116.94 122.25 3dav h PHE 50 Ca 0.30 -0.00 -0.07 0.00 2.80 0.00 0.00 57.97 61.00 3dav h PHE 50 Cb 0.27 -0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.41 3dav h PHE 50 CO -0.11 0.29 -0.33 1.96 -0.60 0.00 0.00 178.31 179.52 3dav h GLN 51 N 0.01 0.00 -1.70 1.51 1.08 -1.21 -3.38 115.11 111.43 3dav h GLN 51 Ca -0.00 0.00 -0.48 0.00 -1.45 0.00 0.00 58.65 56.72 3dav h GLN 51 Cb 0.50 0.00 -0.33 0.00 -0.05 0.00 0.00 27.48 27.60 3dav h GLN 51 CO 0.04 0.33 -0.92 -3.47 -0.95 0.00 0.00 178.83 173.86 3dav n ASP 52 N -3.41 -0.83 -0.28 1.46 2.03 -0.73 -5.06 116.55 109.74 3dav n ASP 52 Ca 0.00 -2.71 0.04 0.00 0.52 0.00 0.00 54.79 52.64 3dav n ASP 52 Cb 0.52 -0.01 0.18 0.00 -0.72 0.00 0.00 41.12 41.09 3dav n ASP 52 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3dav h PRO 53 N 4.56 0.66 0.00 -0.67 0.11 -0.90 -1.83 132.00 133.92 3dav h PRO 53 Ca 0.09 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.16 3dav h PRO 53 Cb 0.93 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.89 3dav h PRO 53 CO 0.37 0.44 0.11 -1.35 -0.21 0.00 0.00 178.00 177.36 3dav h PRO 54 N 0.68 0.00 0.00 1.05 0.11 -1.85 -0.87 132.00 131.12 3dav h PRO 54 Ca 0.42 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.49 3dav h PRO 54 Cb 0.49 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.59 3dav h PRO 54 CO -0.30 0.00 -0.17 0.66 -0.21 0.00 0.00 178.00 177.98 3dav h SER 55 N 0.00 0.00 0.47 -2.05 4.64 -1.66 -3.19 113.55 111.77 3dav h SER 55 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 3dav h SER 55 Cb 0.22 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.31 3dav h SER 55 CO 0.00 0.17 -0.11 0.24 -0.87 0.00 0.00 176.83 176.26 3dav h MET 56 N 0.00 0.00 -0.11 4.77 2.86 -1.33 -2.52 114.93 118.60 3dav h MET 56 Ca -0.00 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.54 3dav h MET 56 Cb 0.60 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.25 3dav h MET 56 CO 0.02 0.11 -0.38 0.74 1.06 0.00 0.00 176.91 178.47 3dav h PHE 57 N 0.00 0.27 -0.15 -0.22 -1.00 -1.75 0.26 116.94 114.35 3dav h PHE 57 Ca -0.00 -0.07 -0.20 0.00 2.81 0.00 0.00 57.97 60.51 3dav h PHE 57 Cb 0.38 -0.06 0.00 0.00 3.61 0.00 0.00 35.95 39.88 3dav h PHE 57 CO 0.00 0.58 -0.72 0.78 -1.61 0.00 0.00 178.31 177.34 3dav h GLY 58 N 1.17 0.76 0.69 -1.45 0.00 -1.66 -3.37 103.07 99.20 3dav h GLY 58 Ca 0.02 -1.03 -0.33 0.00 0.00 0.00 0.00 47.33 45.99 3dav h GLY 58 CO 0.06 0.92 -1.92 -1.30 0.00 0.00 0.00 176.54 174.29 3dav n THR 59 N -3.92 1.62 -0.97 4.70 -2.24 -1.15 -5.10 114.28 107.22 3dav n THR 59 Ca -0.06 -0.75 0.00 0.00 -2.27 0.00 0.00 64.05 60.97 3dav n THR 59 Cb 0.71 -1.18 0.00 0.00 -2.10 0.00 0.00 70.33 67.76 3dav n THR 59 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dav n GLY 60 N 1.75 -2.57 3.15 3.38 0.00 0.91 -4.85 105.19 106.96 3dav n GLY 60 Ca -0.25 -1.67 -0.34 0.00 0.00 0.00 0.00 46.02 43.77 3dav n GLY 60 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dav s ILE 61 N -0.66 2.67 -0.38 -0.61 1.01 -0.11 -4.83 121.20 118.30 3dav s ILE 61 Ca 0.00 -1.35 -0.11 0.00 0.00 0.00 0.00 60.65 59.18 3dav s ILE 61 Cb 0.00 -2.49 0.03 0.00 0.01 0.00 0.00 42.46 40.01 3dav s ILE 61 CO 0.00 0.02 0.22 -0.63 0.00 0.00 0.00 174.94 174.55 3dav s ILE 62 N 1.23 4.66 -0.08 2.92 1.01 -1.26 -0.40 121.20 129.28 3dav s ILE 62 Ca -0.05 -0.84 -0.07 0.00 0.00 0.00 0.00 60.65 59.69 3dav s ILE 62 Cb -0.19 -3.61 0.02 0.00 0.01 0.00 0.00 42.46 38.70 3dav s ILE 62 CO -0.04 -0.25 0.22 -0.76 0.00 0.00 0.00 174.94 174.12 3dav s LEU 63 N 1.57 1.11 -1.66 2.97 1.43 -0.51 -4.73 118.68 118.87 3dav s LEU 63 Ca 0.02 0.45 -0.15 0.00 -1.03 0.00 0.00 54.13 53.42 3dav s LEU 63 Cb -0.19 0.75 0.13 0.00 0.03 0.00 0.00 46.19 46.91 3dav s LEU 63 CO 0.07 -0.08 0.70 0.00 0.23 0.00 0.00 176.35 177.27 3dav n ALA 64 N 3.05 -1.39 -0.94 4.21 0.00 -1.26 -1.67 120.51 122.50 3dav n ALA 64 Ca -0.13 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.24 3dav n ALA 64 Cb 0.58 -3.09 0.00 0.00 0.00 0.00 0.00 19.45 16.94 3dav n ALA 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dav n GLY 65 N -1.52 0.83 3.33 0.00 0.00 -1.26 -5.02 105.19 101.55 3dav n GLY 65 Ca 0.01 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 3dav n GLY 65 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dav s GLN 66 N -0.06 1.27 -0.28 1.61 -0.21 -0.67 -5.13 119.66 116.19 3dav s GLN 66 Ca 0.00 -1.45 -0.06 0.00 0.02 0.00 0.00 55.36 53.88 3dav s GLN 66 Cb 0.00 -1.23 0.01 0.00 1.00 0.00 0.00 33.01 32.80 3dav s GLN 66 CO 0.00 0.23 0.04 0.21 -2.12 0.00 0.00 175.29 173.66 3dav s LYS 67 N -3.04 3.06 0.03 2.91 2.20 -1.26 -1.43 119.74 122.21 3dav s LYS 67 Ca 0.17 -0.87 -0.20 0.00 -0.36 0.00 0.00 55.97 54.72 3dav s LYS 67 Cb -0.04 -3.27 -0.06 0.00 -1.51 0.00 0.00 37.83 32.94 3dav s LYS 67 CO 0.06 -0.42 0.57 0.71 -0.36 0.00 0.00 175.35 175.92 3dav s TYR 68 N 1.46 3.75 -0.23 4.03 2.02 0.47 -4.82 117.35 124.02 3dav s TYR 68 Ca 0.02 1.22 -0.29 0.00 -0.37 0.00 0.00 57.07 57.66 3dav s TYR 68 Cb -0.17 -2.54 -0.01 0.00 -0.40 0.00 0.00 41.96 38.84 3dav s TYR 68 CO 0.01 0.48 1.34 0.42 -1.57 0.00 0.00 175.55 176.23 3dav s ILE 69 N -0.68 4.12 0.08 2.71 1.09 0.12 -0.93 121.20 127.70 3dav s ILE 69 Ca 0.30 1.30 -0.31 0.00 -1.10 0.00 0.00 60.65 60.84 3dav s ILE 69 Cb -0.19 -4.02 -0.09 0.00 -1.06 0.00 0.00 42.46 37.10 3dav s ILE 69 CO 0.18 -0.32 1.77 -0.89 -0.10 0.00 0.00 174.94 175.57 3dav s THR 70 N 4.16 2.88 -0.02 2.92 2.01 -1.26 -0.89 115.64 125.44 3dav s THR 70 Ca 0.58 0.27 0.04 0.00 0.31 0.00 0.00 61.69 62.89 3dav s THR 70 Cb -0.20 -3.17 -0.07 0.00 0.01 0.00 0.00 72.50 69.07 3dav s THR 70 CO 0.21 -0.01 0.10 -0.38 -0.69 0.00 0.00 174.62 173.86 3dav n ILE 71 N 4.90 0.00 -3.68 1.82 -0.00 0.16 -4.91 119.36 117.65 3dav n ILE 71 Ca 0.17 -0.12 -0.13 0.00 -0.00 0.00 0.00 62.75 62.68 3dav n ILE 71 Cb 0.40 0.43 -0.09 0.00 -0.00 0.00 0.00 39.64 40.38 3dav n ILE 71 CO 0.00 0.00 0.00 -0.60 -0.00 0.00 0.00 176.55 175.95 3dav s ARG 72 N -2.26 0.64 -0.30 0.38 3.52 -1.09 -4.98 118.95 114.87 3dav s ARG 72 Ca -0.01 0.83 0.05 0.00 -0.13 0.00 0.00 55.73 56.47 3dav s ARG 72 Cb 0.03 0.27 0.20 0.00 -1.56 0.00 0.00 34.95 33.88 3dav s ARG 72 CO 0.18 -0.09 0.61 0.00 -0.81 0.00 0.00 175.30 175.19 3dav s ALA 73 N 0.55 -2.47 -0.30 6.12 0.00 -1.24 -0.59 121.76 123.83 3dav s ALA 73 Ca -0.02 1.03 -0.24 0.00 0.00 0.00 0.00 51.96 52.72 3dav s ALA 73 Cb -0.05 -2.56 0.19 0.00 0.00 0.00 0.00 23.12 20.70 3dav s ALA 73 CO -0.03 -1.86 1.40 -2.00 0.00 0.00 0.00 175.76 173.27 3dav s GLU 74 N 2.78 0.09 6.89 0.00 -6.30 -0.81 -3.96 118.70 117.39 3dav s GLU 74 Ca 0.11 0.11 0.00 0.00 -2.50 0.00 0.00 54.97 52.69 3dav s GLU 74 Cb -0.09 0.04 0.00 0.00 0.00 0.00 0.00 34.13 34.08 3dav s GLU 74 CO -0.25 -0.01 0.00 0.41 0.02 0.00 0.00 175.26 175.43 3dav n GLY 75 N 1.73 2.72 0.74 -1.50 0.00 -1.26 -2.09 105.19 105.53 3dav n GLY 75 Ca -0.11 0.30 0.08 0.00 0.00 0.00 0.00 46.02 46.29 3dav n GLY 75 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3dav n ARG 76 N 6.37 1.83 -4.41 1.61 1.85 -1.26 -4.94 116.66 117.71 3dav n ARG 76 Ca 0.00 -1.77 -0.31 0.00 -1.00 0.00 0.00 57.85 54.77 3dav n ARG 76 Cb 0.00 -1.33 -0.16 0.00 -1.05 0.00 0.00 32.46 29.91 3dav n ARG 76 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 3dav s SER 77 N -1.18 2.91 -0.19 2.89 0.01 -0.89 -0.79 113.70 116.47 3dav s SER 77 Ca 0.24 -0.56 -0.00 0.00 1.31 0.00 0.00 55.95 56.93 3dav s SER 77 Cb 0.15 -1.34 0.05 0.00 0.21 0.00 0.00 66.02 65.09 3dav s SER 77 CO 0.21 0.03 -0.04 -0.63 0.41 0.00 0.00 173.24 173.21 3dav s ILE 78 N 1.06 1.16 -0.00 1.44 1.01 0.46 -1.92 121.20 124.40 3dav s ILE 78 Ca -0.02 -0.81 0.06 0.00 0.00 0.00 0.00 60.65 59.88 3dav s ILE 78 Cb -0.14 -1.42 -0.03 0.00 0.01 0.00 0.00 42.46 40.88 3dav s ILE 78 CO -0.06 0.01 -0.19 -0.31 0.00 0.00 0.00 174.94 174.39 3dav s TYR 79 N 1.59 2.54 0.18 3.97 1.51 0.24 -0.52 117.35 126.85 3dav s TYR 79 Ca -0.02 -0.27 -0.01 0.00 -1.01 0.00 0.00 57.07 55.76 3dav s TYR 79 Cb -0.17 -1.52 -0.04 0.00 -0.11 0.00 0.00 41.96 40.12 3dav s TYR 79 CO -0.07 0.16 0.08 0.20 -1.11 0.00 0.00 175.55 174.81 3dav s GLY 80 N -1.00 1.27 -0.02 0.71 0.00 -0.63 -0.67 107.32 106.98 3dav s GLY 80 Ca 0.12 -1.62 0.02 0.00 0.00 0.00 0.00 44.72 43.25 3dav s GLY 80 CO 0.02 -1.42 -0.08 0.54 0.00 0.00 0.00 173.10 172.16 3dav s LYS 81 N -4.08 0.76 -0.34 2.90 -0.14 -0.07 -2.61 119.74 116.17 3dav s LYS 81 Ca 0.31 -0.28 0.01 0.00 -1.36 0.00 0.00 55.97 54.65 3dav s LYS 81 Cb 0.07 -0.73 0.10 0.00 -1.68 0.00 0.00 37.83 35.59 3dav s LYS 81 CO 0.07 0.14 0.11 -1.17 -0.76 0.00 0.00 175.35 173.73 3dav s LEU 82 N 0.02 2.96 0.00 3.17 2.96 0.63 0.10 118.68 128.52 3dav s LEU 82 Ca -0.00 -1.91 0.00 0.00 -0.22 0.00 0.00 54.13 52.00 3dav s LEU 82 Cb -0.06 -1.09 0.00 0.00 0.50 0.00 0.00 46.19 45.54 3dav s LEU 82 CO -0.00 -0.39 0.00 0.00 -1.32 0.00 0.00 176.35 174.64 3dav n GLN 83 N 4.52 0.00 0.00 1.98 3.00 -1.26 -1.46 117.38 124.15 3dav n GLN 83 Ca 0.01 0.00 0.09 0.00 -0.01 0.00 0.00 57.00 57.08 3dav n GLN 83 Cb 0.41 0.00 0.04 0.00 0.00 0.00 0.00 30.24 30.69 3dav n GLN 83 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 3dav n LYS 84 N 1.46 1.55 -2.65 -1.09 4.76 -1.26 -4.92 118.16 116.00 3dav n LYS 84 Ca 0.00 -1.21 -0.22 0.00 -2.87 0.00 0.00 58.31 54.02 3dav n LYS 84 Cb 0.00 -1.32 0.06 0.00 -1.84 0.00 0.00 35.03 31.93 3dav n LYS 84 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 3dav s GLU 85 N -1.72 2.30 -0.01 1.97 2.02 -0.54 -3.88 118.70 118.85 3dav s GLU 85 Ca 0.17 -0.93 -0.29 0.00 0.02 0.00 0.00 54.97 53.95 3dav s GLU 85 Cb 0.14 -2.46 0.10 0.00 0.10 0.00 0.00 34.13 32.02 3dav s GLU 85 CO 0.32 -0.91 1.28 0.20 0.02 0.00 0.00 175.26 176.17 3dav s GLY 86 N -4.52 -0.20 0.08 -1.39 0.00 -0.99 -0.27 107.32 100.03 3dav s GLY 86 Ca 0.60 0.21 0.08 0.00 0.00 0.00 0.00 44.72 45.61 3dav s GLY 86 CO 0.40 3.83 -0.20 -0.26 0.00 0.00 0.00 173.10 176.87 3dav s ILE 87 N -2.14 1.62 -0.16 0.90 -5.25 -1.07 -0.87 121.20 114.23 3dav s ILE 87 Ca 0.25 -1.39 0.02 0.00 -0.99 0.00 0.00 60.65 58.53 3dav s ILE 87 Cb 0.01 -1.46 0.02 0.00 2.95 0.00 0.00 42.46 43.98 3dav s ILE 87 CO -0.01 0.01 -0.21 -0.63 -1.79 0.00 0.00 174.94 172.31 3dav s ILE 88 N -1.05 2.03 -0.19 8.37 -1.09 0.16 -1.61 121.20 127.82 3dav s ILE 88 Ca 0.06 -0.94 0.01 0.00 -2.23 0.00 0.00 60.65 57.55 3dav s ILE 88 Cb -0.10 -1.81 0.02 0.00 -1.58 0.00 0.00 42.46 38.99 3dav s ILE 88 CO 0.03 0.54 -0.18 0.00 -1.23 0.00 0.00 174.94 174.10 3dav s VAL 90 N 1.28 1.45 -0.02 0.00 1.01 -0.71 -0.41 120.40 123.00 3dav s VAL 90 Ca 0.03 -0.62 -0.21 0.00 0.00 0.00 0.00 61.98 61.18 3dav s VAL 90 Cb -0.14 -1.32 -0.05 0.00 0.00 0.00 0.00 36.38 34.87 3dav s VAL 90 CO -0.11 0.43 0.61 0.00 0.00 0.00 0.00 175.10 176.02 3dav s ALA 91 N 0.92 3.46 0.00 5.51 0.00 0.03 -0.18 121.76 131.51 3dav s ALA 91 Ca -0.08 0.04 0.00 0.00 0.00 0.00 0.00 51.96 51.91 3dav s ALA 91 Cb -0.15 -2.77 0.00 0.00 0.00 0.00 0.00 23.12 20.20 3dav s ALA 91 CO -0.00 0.11 0.00 0.25 0.00 0.00 0.00 175.76 176.12 3dav n THR 92 N 2.94 0.00 -0.08 0.00 -2.24 0.14 -4.87 114.28 110.16 3dav n THR 92 Ca -0.06 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.61 3dav n THR 92 Cb 0.51 -0.79 -0.04 0.00 -2.10 0.00 0.00 70.33 67.91 3dav n THR 92 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3dav h LYS 93 N 0.00 0.42 0.00 -0.78 1.57 -1.94 -3.38 116.57 112.47 3dav h LYS 93 Ca 0.00 -0.12 -0.19 0.00 -1.87 0.00 0.00 60.65 58.47 3dav h LYS 93 Cb 0.00 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.23 3dav h LYS 93 CO 0.00 0.56 -1.85 1.28 -0.57 0.00 0.00 179.45 178.87 3dav n LEU 94 N -4.67 0.00 -4.28 2.94 4.77 -1.26 -4.97 117.00 109.54 3dav n LEU 94 Ca -0.03 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.80 3dav n LEU 94 Cb 0.21 0.25 -0.10 0.00 -2.33 0.00 0.00 43.42 41.45 3dav n LEU 94 CO 0.37 0.25 -0.29 0.00 -1.33 0.00 0.00 177.39 176.40 3dav s ILE 96 N -3.72 3.18 -0.15 0.00 1.01 0.92 0.25 121.20 122.68 3dav s ILE 96 Ca 0.31 -0.58 -0.23 0.00 0.00 0.00 0.00 60.65 60.15 3dav s ILE 96 Cb 0.07 -2.40 -0.02 0.00 0.01 0.00 0.00 42.46 40.12 3dav s ILE 96 CO 0.09 0.47 0.73 -0.76 0.00 0.00 0.00 174.94 175.48 3dav s LEU 97 N 1.01 4.20 -0.28 2.97 1.43 0.75 -1.11 118.68 127.65 3dav s LEU 97 Ca -0.01 1.06 -0.01 0.00 -1.03 0.00 0.00 54.13 54.15 3dav s LEU 97 Cb -0.15 -3.08 0.04 0.00 0.03 0.00 0.00 46.19 43.03 3dav s LEU 97 CO -0.01 -0.29 -0.04 -0.69 0.23 0.00 0.00 176.35 175.55 3dav s VAL 98 N 1.75 2.81 -0.15 -1.59 1.01 0.91 -1.74 120.40 123.41 3dav s VAL 98 Ca 0.35 -1.33 0.01 0.00 0.00 0.00 0.00 61.98 61.01 3dav s VAL 98 Cb -0.17 -2.57 -0.00 0.00 0.00 0.00 0.00 36.38 33.65 3dav s VAL 98 CO 0.13 -0.01 -0.17 -0.44 0.00 0.00 0.00 175.10 174.62 3dav s SER 99 N 1.25 3.54 -0.06 3.32 0.01 -0.05 -0.54 113.70 121.17 3dav s SER 99 Ca -0.04 -0.49 -0.03 0.00 1.31 0.00 0.00 55.95 56.70 3dav s SER 99 Cb -0.19 -1.53 -0.04 0.00 0.21 0.00 0.00 66.02 64.47 3dav s SER 99 CO -0.03 0.09 0.07 -2.28 0.41 0.00 0.00 173.24 171.50 3dav s HIS 100 N 0.77 3.32 -0.02 2.43 2.46 -0.18 0.39 115.29 124.46 3dav s HIS 100 Ca -0.07 0.29 0.04 0.00 0.47 0.00 0.00 55.06 55.79 3dav s HIS 100 Cb -0.16 -1.81 -0.01 0.00 -0.13 0.00 0.00 32.58 30.48 3dav s HIS 100 CO 0.00 0.57 -0.13 1.52 -2.47 0.00 0.00 174.74 174.24 3dav s TYR 101 N -1.05 1.17 1.09 3.88 -0.85 -0.05 -2.46 117.35 119.07 3dav s TYR 101 Ca 0.18 -0.24 -0.18 0.00 -0.52 0.00 0.00 57.07 56.30 3dav s TYR 101 Cb -0.12 -0.77 0.25 0.00 0.38 0.00 0.00 41.96 41.71 3dav s TYR 101 CO 0.07 -0.05 1.25 -1.25 -1.52 0.00 0.00 175.55 174.06 3dav s PRO 102 N -0.19 -0.34 0.10 -3.49 0.04 -1.26 -2.35 135.00 127.51 3dav s PRO 102 Ca 0.03 -0.34 0.20 0.00 0.04 0.00 0.00 61.00 60.93 3dav s PRO 102 Cb -0.06 -1.73 0.83 0.00 0.04 0.00 0.00 34.50 33.58 3dav s PRO 102 CO -0.00 -3.08 1.62 -0.85 0.04 0.00 0.00 177.00 174.73 3dav n GLU 103 N -4.25 0.09 0.05 4.56 0.28 -1.25 -2.59 120.64 117.52 3dav n GLU 103 Ca 0.15 0.28 0.13 0.00 -0.16 0.00 0.00 57.16 57.56 3dav n GLU 103 Cb 0.59 -1.65 0.49 0.00 1.43 0.00 0.00 31.44 32.31 3dav n GLU 103 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 3dav n THR 104 N -1.80 0.26 -4.54 3.84 -2.24 -1.26 -4.78 114.28 103.76 3dav n THR 104 Ca 0.04 -0.13 -0.34 0.00 -2.27 0.00 0.00 64.05 61.34 3dav n THR 104 Cb 0.23 -0.48 -0.11 0.00 -2.10 0.00 0.00 70.33 67.87 3dav n THR 104 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3dav s THR 105 N -3.05 3.82 0.20 4.28 -1.32 -1.07 -5.09 115.64 113.41 3dav s THR 105 Ca 0.12 -0.42 -0.31 0.00 -1.21 0.00 0.00 61.69 59.87 3dav s THR 105 Cb 0.16 -2.59 -0.11 0.00 -1.51 0.00 0.00 72.50 68.45 3dav s THR 105 CO 0.58 0.58 1.60 -0.76 -2.21 0.00 0.00 174.62 174.40 3dav s LEU 106 N -0.53 4.37 0.40 9.08 1.43 -1.26 -4.85 118.68 127.32 3dav s LEU 106 Ca 0.08 2.73 0.14 0.00 -1.03 0.00 0.00 54.13 56.05 3dav s LEU 106 Cb -0.12 -3.60 0.99 0.00 0.03 0.00 0.00 46.19 43.48 3dav s LEU 106 CO 0.02 -0.86 1.89 1.55 0.23 0.00 0.00 176.35 179.18 3dav h PRO 107 N 6.34 0.48 -0.40 1.29 0.13 -1.94 -0.91 132.00 137.00 3dav h PRO 107 Ca -0.44 -0.03 -0.07 0.00 -0.87 0.00 0.00 66.00 64.60 3dav h PRO 107 Cb 1.21 -0.11 -0.02 0.00 0.13 0.00 0.00 31.00 32.21 3dav h PRO 107 CO 0.89 0.32 -0.03 0.78 -0.23 0.00 0.00 178.00 179.74 3dav h GLY 108 N 0.50 0.70 0.94 1.56 0.00 -1.99 -0.90 103.07 103.89 3dav h GLY 108 Ca 0.41 -0.46 -0.16 0.00 0.00 0.00 0.00 47.33 47.13 3dav h GLY 108 CO -0.16 0.42 -0.54 0.83 0.00 0.00 0.00 176.54 177.10 3dav h GLU 109 N 0.61 0.59 -0.41 4.80 5.08 -1.56 -0.77 114.58 122.92 3dav h GLU 109 Ca 0.12 -0.46 -0.00 0.00 -1.00 0.00 0.00 59.36 58.02 3dav h GLU 109 Cb 0.42 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 3dav h GLU 109 CO 0.02 1.09 0.25 0.00 -1.00 0.00 0.00 179.01 179.37 3dav h ALA 110 N 0.50 0.53 -0.37 3.43 0.00 -1.35 -1.28 119.26 120.72 3dav h ALA 110 Ca -0.03 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 54.88 3dav h ALA 110 Cb 1.18 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.75 3dav h ALA 110 CO 0.11 0.01 0.10 0.00 0.00 0.00 0.00 179.25 179.47 3dav h ALA 111 N 1.12 0.41 -0.52 0.00 0.00 -1.13 -2.57 119.26 116.57 3dav h ALA 111 Ca 0.15 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 3dav h ALA 111 Cb -0.01 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3dav h ALA 111 CO -0.03 -0.30 0.09 -0.22 0.00 0.00 0.00 179.25 178.79 3dav h LYS 112 N 0.23 0.86 -0.50 0.00 3.64 -0.85 -0.32 116.57 119.63 3dav h LYS 112 Ca 0.17 -0.23 -0.02 0.00 -1.27 0.00 0.00 60.65 59.30 3dav h LYS 112 Cb 0.18 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 3dav h LYS 112 CO -0.21 0.84 0.22 0.82 -2.27 0.00 0.00 179.45 178.85 3dav h ILE 113 N 0.74 1.20 0.00 2.00 2.04 -1.07 -1.22 117.51 121.21 3dav h ILE 113 Ca 0.16 -0.61 -0.17 0.00 1.00 0.00 0.00 64.86 65.24 3dav h ILE 113 Cb 0.39 0.68 -0.03 0.00 -0.74 0.00 0.00 36.82 37.13 3dav h ILE 113 CO 0.01 0.23 -1.13 0.00 0.00 0.00 0.00 178.15 177.26 3dav h THR 114 N 0.66 0.81 -0.50 -0.27 1.03 -1.33 -2.04 112.91 111.27 3dav h THR 114 Ca 0.17 -2.34 -0.02 0.00 -0.01 0.00 0.00 66.41 64.21 3dav h THR 114 Cb 0.16 2.30 -0.02 0.00 -1.07 0.00 0.00 68.15 69.52 3dav h THR 114 CO -0.02 0.46 0.25 -0.33 -0.01 0.00 0.00 175.52 175.87 3dav h GLU 115 N 0.00 0.71 -0.12 0.00 4.39 -1.06 -1.87 114.58 116.64 3dav h GLU 115 Ca -0.11 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 59.49 3dav h GLU 115 Cb 1.60 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 30.12 3dav h GLU 115 CO 0.07 0.59 0.07 0.00 -1.16 0.00 0.00 179.01 178.58 3dav h ALA 116 N 1.09 0.15 -0.43 3.43 0.00 -1.16 0.05 119.26 122.38 3dav h ALA 116 Ca 0.17 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3dav h ALA 116 Cb 0.10 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3dav h ALA 116 CO -0.02 -0.35 0.28 1.25 0.00 0.00 0.00 179.25 180.41 3dav h LEU 117 N 0.14 0.49 -0.32 0.00 5.85 -1.37 0.25 115.31 120.35 3dav h LEU 117 Ca 0.04 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.69 3dav h LEU 117 Cb 0.01 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 3dav h LEU 117 CO -0.01 0.35 -0.04 0.00 -0.34 0.00 0.00 178.44 178.40 3dav h ALA 118 N 1.73 0.44 -0.66 1.25 0.00 -0.76 -0.57 119.26 120.68 3dav h ALA 118 Ca 0.16 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3dav h ALA 118 Cb -0.06 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3dav h ALA 118 CO -0.03 0.23 0.38 -0.44 0.00 0.00 0.00 179.25 179.39 3dav h ASP 119 N 0.38 0.80 0.12 0.00 3.32 -0.14 -0.36 116.42 120.53 3dav h ASP 119 Ca 0.09 -0.07 0.01 0.00 0.02 0.00 0.00 57.03 57.07 3dav h ASP 119 Cb 0.51 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 3dav h ASP 119 CO 0.02 0.64 -0.17 0.22 -1.72 0.00 0.00 179.24 178.23 3dav h TYR 120 N 0.90 -0.45 -0.79 4.55 3.20 -0.49 0.34 116.97 124.24 3dav h TYR 120 Ca 0.23 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.11 3dav h TYR 120 Cb -0.00 0.18 -0.04 0.00 1.54 0.00 0.00 36.73 38.41 3dav h TYR 120 CO -0.01 -0.26 0.51 -0.07 -1.64 0.00 0.00 178.16 176.69 3dav h LEU 121 N -0.34 0.92 -0.63 2.82 3.38 -0.84 0.67 115.31 121.28 3dav h LEU 121 Ca 0.02 -0.04 -0.11 0.00 0.09 0.00 0.00 57.88 57.84 3dav h LEU 121 Cb 0.35 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 3dav h LEU 121 CO -0.08 0.68 -0.10 0.58 0.09 0.00 0.00 178.44 179.61 3dav h VAL 122 N 1.07 1.27 -0.69 1.22 2.07 -0.93 0.51 116.25 120.77 3dav h VAL 122 Ca 0.29 -1.24 -0.01 0.00 0.82 0.00 0.00 66.70 66.55 3dav h VAL 122 Cb -0.10 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 3dav h VAL 122 CO -0.06 0.44 0.38 1.23 0.02 0.00 0.00 177.57 179.57 3dav h GLY 123 N 0.95 1.04 2.00 2.17 0.00 0.60 -2.56 103.07 107.28 3dav h GLY 123 Ca 0.14 -0.48 -0.08 0.00 0.00 0.00 0.00 47.33 46.91 3dav h GLY 123 CO 0.05 0.46 -0.38 -2.08 0.00 0.00 0.00 176.54 174.58 3dav h VAL 124 N 0.96 0.75 0.00 4.60 2.07 -0.82 -3.48 116.25 120.33 3dav h VAL 124 Ca 0.24 -1.74 0.00 0.00 0.82 0.00 0.00 66.70 66.03 3dav h VAL 124 Cb 0.05 2.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.95 3dav h VAL 124 CO -0.04 0.38 0.00 0.61 0.02 0.00 0.00 177.57 178.54 3dav n GLY 125 N 0.73 1.85 0.00 2.17 0.00 -0.34 -5.09 105.19 104.50 3dav n GLY 125 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3dav n GLY 125 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60