#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dcx h GLU 13 N 0.00 1.07 -5.08 0.00 5.08 -2.03 -3.46 114.58 110.17 3dcx h GLU 13 Ca 0.00 -0.32 -0.34 0.00 -1.00 0.00 0.00 59.36 57.70 3dcx h GLU 13 Cb 0.00 -0.11 -0.17 0.00 0.50 0.00 0.00 28.75 28.98 3dcx h GLU 13 CO 0.00 1.03 -0.73 0.14 -1.00 0.00 0.00 179.01 178.45 3dcx s VAL 14 N -5.07 1.09 -0.58 3.13 -7.23 -1.26 -5.03 120.40 105.44 3dcx s VAL 14 Ca -0.12 -1.79 -0.28 0.00 -1.81 0.00 0.00 61.98 57.98 3dcx s VAL 14 Cb 0.14 -1.55 0.01 0.00 0.56 0.00 0.00 36.38 35.54 3dcx s VAL 14 CO 0.85 -0.60 1.42 0.21 -0.31 0.00 0.00 175.10 176.68 3dcx s ASN 15 N -2.69 6.08 0.31 4.85 3.84 -1.26 -4.89 114.94 121.18 3dcx s ASN 15 Ca 0.10 0.21 0.09 0.00 0.21 0.00 0.00 52.86 53.47 3dcx s ASN 15 Cb -0.01 -2.55 0.49 0.00 -0.55 0.00 0.00 41.25 38.63 3dcx s ASN 15 CO 0.01 -1.76 1.70 -0.07 -2.79 0.00 0.00 177.10 174.19 3dcx h LEU 16 N 13.27 0.10 -0.36 3.21 3.38 -1.98 -0.89 115.31 132.05 3dcx h LEU 16 Ca -0.27 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 3dcx h LEU 16 Cb 1.09 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.79 3dcx h LEU 16 CO 1.19 0.57 0.21 0.44 0.09 0.00 0.00 178.44 180.93 3dcx h ASP 17 N 0.08 0.44 0.04 -0.43 3.32 -1.99 0.10 116.42 117.98 3dcx h ASP 17 Ca 0.00 -0.08 0.01 0.00 0.02 0.00 0.00 57.03 56.98 3dcx h ASP 17 Cb 0.88 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.31 3dcx h ASP 17 CO 0.07 0.39 -0.06 -0.33 -1.72 0.00 0.00 179.24 177.59 3dcx h GLU 18 N 0.46 -0.11 -0.98 3.56 5.08 -1.92 -2.50 114.58 118.17 3dcx h GLU 18 Ca 0.13 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.54 3dcx h GLU 18 Cb 0.04 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.26 3dcx h GLU 18 CO -0.02 -0.07 0.64 1.25 -1.00 0.00 0.00 179.01 179.80 3dcx h LEU 19 N -0.12 1.05 -0.92 1.33 5.85 -0.98 -1.24 115.31 120.30 3dcx h LEU 19 Ca 0.01 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.69 3dcx h LEU 19 Cb 0.12 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.88 3dcx h LEU 19 CO -0.03 0.71 0.32 0.00 -0.34 0.00 0.00 178.44 179.10 3dcx h ALA 20 N 1.41 1.14 -0.53 1.25 0.00 -0.67 0.17 119.26 122.03 3dcx h ALA 20 Ca 0.40 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 55.02 3dcx h ALA 20 Cb 0.03 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 3dcx h ALA 20 CO -0.13 0.63 -0.09 1.96 0.00 0.00 0.00 179.25 181.62 3dcx h GLN 21 N 1.08 0.97 -0.28 0.00 1.08 -0.92 0.31 115.11 117.35 3dcx h GLN 21 Ca 0.25 -0.34 -0.05 0.00 -1.45 0.00 0.00 58.65 57.07 3dcx h GLN 21 Cb 0.18 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.52 3dcx h GLN 21 CO -0.02 1.00 -0.02 0.93 -0.95 0.00 0.00 178.83 179.77 3dcx h GLU 22 N 0.87 0.51 0.00 1.46 5.08 -0.57 -3.28 114.58 118.65 3dcx h GLU 22 Ca 0.14 -0.17 -0.08 0.00 -1.00 0.00 0.00 59.36 58.25 3dcx h GLU 22 Cb 0.63 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 3dcx h GLU 22 CO 0.04 0.68 -0.52 -0.07 -1.00 0.00 0.00 179.01 178.14 3dcx h LEU 23 N 0.28 0.00 -0.82 1.33 3.38 -1.01 -3.40 115.31 115.06 3dcx h LEU 23 Ca 0.08 0.00 0.18 0.00 0.09 0.00 0.00 57.88 58.22 3dcx h LEU 23 Cb 0.47 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.06 3dcx h LEU 23 CO 0.02 0.37 -0.16 0.61 0.09 0.00 0.00 178.44 179.38 3dcx n GLY 24 N 1.21 -1.32 0.36 0.83 0.00 0.10 -0.61 105.19 105.75 3dcx n GLY 24 Ca 0.01 0.86 0.18 0.00 0.00 0.00 0.00 46.02 47.08 3dcx n GLY 24 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3dcx h PRO 25 N 0.00 0.00 -2.32 1.61 0.11 -1.80 -3.44 132.00 126.15 3dcx h PRO 25 Ca 0.42 0.00 -0.72 0.00 0.11 0.00 0.00 66.00 65.81 3dcx h PRO 25 Cb 0.70 0.00 -0.33 0.00 0.11 0.00 0.00 31.00 31.47 3dcx h PRO 25 CO -0.83 0.00 0.32 0.44 -0.21 0.00 0.00 178.00 177.72 3dcx n ILE 26 N -3.82 4.73 -4.15 4.15 -5.35 0.22 -5.15 119.36 109.99 3dcx n ILE 26 Ca 0.04 -5.79 -0.28 0.00 -0.27 0.00 0.00 62.75 56.45 3dcx n ILE 26 Cb 0.46 -1.59 -0.07 0.00 -1.74 0.00 0.00 39.64 36.70 3dcx n ILE 26 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3dcx s GLY 28 N -2.21 1.79 0.44 3.28 0.00 -1.26 -5.16 107.32 104.19 3dcx s GLY 28 Ca 0.42 -1.25 0.14 0.00 0.00 0.00 0.00 44.72 44.03 3dcx s GLY 28 CO -0.10 -1.26 1.97 -0.55 0.00 0.00 0.00 173.10 173.17 3dcx h ASP 29 N 2.86 0.36 -0.38 1.64 3.32 -2.01 -1.41 116.42 120.79 3dcx h ASP 29 Ca -0.47 0.01 -0.19 0.00 0.02 0.00 0.00 57.03 56.40 3dcx h ASP 29 Cb 1.19 -0.06 -0.11 0.00 0.22 0.00 0.00 39.33 40.56 3dcx h ASP 29 CO 0.60 0.21 -0.05 -0.46 -1.72 0.00 0.00 179.24 177.82 3dcx n ASN 30 N -4.47 2.57 -4.80 6.45 6.94 -1.26 -5.00 115.26 115.70 3dcx n ASN 30 Ca 0.10 -3.75 -0.36 0.00 -0.02 0.00 0.00 54.58 50.55 3dcx n ASN 30 Cb 0.40 -0.64 -0.07 0.00 -2.36 0.00 0.00 39.78 37.10 3dcx n ASN 30 CO 0.00 0.00 0.00 -0.70 -1.03 0.00 0.00 177.26 175.53 3dcx s GLU 31 N -3.24 3.34 0.03 -3.83 2.12 -0.53 -5.02 118.70 111.57 3dcx s GLU 31 Ca 0.45 -0.23 0.01 0.00 0.36 0.00 0.00 54.97 55.56 3dcx s GLU 31 Cb 0.41 -3.07 -0.02 0.00 0.26 0.00 0.00 34.13 31.71 3dcx s GLU 31 CO 0.00 0.72 -0.05 1.14 -0.54 0.00 0.00 175.26 176.53 3dcx s GLN 32 N -0.88 0.42 0.36 4.30 -2.07 -1.26 -4.75 119.66 115.77 3dcx s GLN 32 Ca 0.14 -0.69 -0.27 0.00 -1.82 0.00 0.00 55.36 52.72 3dcx s GLN 32 Cb -0.12 -0.09 -0.09 0.00 -1.09 0.00 0.00 33.01 31.62 3dcx s GLN 32 CO 0.03 -0.00 1.17 -0.51 -1.32 0.00 0.00 175.29 174.66 3dcx s LEU 33 N -1.54 4.32 -0.08 2.60 1.43 -1.26 -1.16 118.68 122.99 3dcx s LEU 33 Ca -0.13 2.37 -0.09 0.00 -1.03 0.00 0.00 54.13 55.25 3dcx s LEU 33 Cb -0.10 -3.87 -0.04 0.00 0.03 0.00 0.00 46.19 42.21 3dcx s LEU 33 CO -0.00 -0.50 -0.19 0.00 0.23 0.00 0.00 176.35 175.88 3dcx n ALA 34 N 0.47 1.91 -2.91 4.21 0.00 0.17 -4.84 120.51 119.52 3dcx n ALA 34 Ca 0.02 -0.48 -0.11 0.00 0.00 0.00 0.00 53.44 52.87 3dcx n ALA 34 Cb 0.45 0.18 -0.08 0.00 0.00 0.00 0.00 19.45 20.01 3dcx n ALA 34 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3dcx s LEU 35 N -7.31 1.08 0.02 0.00 1.43 -0.78 -5.02 118.68 108.11 3dcx s LEU 35 Ca -0.17 -0.30 0.00 0.00 -1.03 0.00 0.00 54.13 52.63 3dcx s LEU 35 Cb 0.04 1.20 -0.02 0.00 0.03 0.00 0.00 46.19 47.44 3dcx s LEU 35 CO 0.24 -0.61 -0.03 0.00 0.23 0.00 0.00 176.35 176.18 3dcx s ALA 36 N -2.71 0.16 -0.04 4.21 0.00 -1.26 -0.00 121.76 122.11 3dcx s ALA 36 Ca -0.04 -0.62 0.02 0.00 0.00 0.00 0.00 51.96 51.32 3dcx s ALA 36 Cb -0.00 0.15 0.01 0.00 0.00 0.00 0.00 23.12 23.28 3dcx s ALA 36 CO -0.04 -0.16 -0.07 0.71 0.00 0.00 0.00 175.76 176.19 3dcx s TYR 37 N -1.55 0.90 0.14 0.00 2.02 -0.09 -4.43 117.35 114.34 3dcx s TYR 37 Ca -0.15 -0.25 -0.30 0.00 -0.37 0.00 0.00 57.07 56.00 3dcx s TYR 37 Cb -0.09 -0.70 -0.07 0.00 -0.40 0.00 0.00 41.96 40.70 3dcx s TYR 37 CO -0.01 -0.15 1.08 1.03 -1.57 0.00 0.00 175.55 175.93 3dcx s ARG 38 N 0.50 4.59 -0.63 -0.62 0.52 -1.26 -0.79 118.95 121.26 3dcx s ARG 38 Ca -0.08 1.66 0.05 0.00 -0.52 0.00 0.00 55.73 56.84 3dcx s ARG 38 Cb -0.11 -3.32 0.17 0.00 0.52 0.00 0.00 34.95 32.21 3dcx s ARG 38 CO 0.01 0.05 0.44 0.08 0.02 0.00 0.00 175.30 175.90 3dcx s VAL 39 N 0.06 2.35 0.00 3.52 1.01 0.35 -4.58 120.40 123.11 3dcx s VAL 39 Ca 0.50 -3.86 0.00 0.00 0.00 0.00 0.00 61.98 58.62 3dcx s VAL 39 Cb -0.28 -2.56 0.00 0.00 0.00 0.00 0.00 36.38 33.55 3dcx s VAL 39 CO 0.33 -1.03 0.00 -0.38 0.00 0.00 0.00 175.10 174.01 3dcx n ILE 40 N 2.25 0.00 0.57 2.22 5.41 -1.26 -1.15 119.36 127.40 3dcx n ILE 40 Ca 0.20 0.00 0.12 0.00 1.00 0.00 0.00 62.75 64.08 3dcx n ILE 40 Cb 0.37 0.00 0.25 0.00 -0.71 0.00 0.00 39.64 39.55 3dcx n ILE 40 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 176.55 176.46 3dcx h ARG 41 N 0.00 0.00 0.00 0.38 2.43 -1.98 -3.53 114.38 111.68 3dcx h ARG 41 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3dcx h ARG 41 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 3dcx h ARG 41 CO 0.00 0.00 0.00 -0.25 -1.51 0.00 0.00 179.97 178.21 3dcx n ASP 42 N -2.21 0.00 -3.59 -3.80 8.00 -0.30 -4.72 116.55 109.92 3dcx n ASP 42 Ca 0.04 0.00 -0.18 0.00 0.71 0.00 0.00 54.79 55.36 3dcx n ASP 42 Cb 0.44 0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 41.40 3dcx n ASP 42 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3dcx s PHE 44 N 0.67 -0.20 -0.24 1.24 0.40 0.03 -0.50 117.98 119.39 3dcx s PHE 44 Ca 0.00 0.40 -0.05 0.00 -0.60 0.00 0.00 56.93 56.67 3dcx s PHE 44 Cb 0.00 -0.32 -0.01 0.00 0.51 0.00 0.00 43.02 43.19 3dcx s PHE 44 CO 0.00 -0.44 0.00 0.08 0.70 0.00 0.00 175.22 175.56 3dcx s VAL 45 N 2.30 3.69 -0.32 -0.44 1.01 0.80 -0.92 120.40 126.53 3dcx s VAL 45 Ca 0.04 -0.43 -0.10 0.00 0.00 0.00 0.00 61.98 61.49 3dcx s VAL 45 Cb -0.14 -2.72 -0.01 0.00 0.00 0.00 0.00 36.38 33.51 3dcx s VAL 45 CO -0.09 0.36 0.17 -0.36 0.00 0.00 0.00 175.10 175.19 3dcx s PHE 46 N 1.52 3.19 0.20 5.22 0.40 0.99 -0.19 117.98 129.32 3dcx s PHE 46 Ca 0.06 -0.51 0.03 0.00 -0.60 0.00 0.00 56.93 55.90 3dcx s PHE 46 Cb -0.15 -2.38 0.03 0.00 0.51 0.00 0.00 43.02 41.03 3dcx s PHE 46 CO -0.01 -0.44 0.26 0.25 0.70 0.00 0.00 175.22 175.98 3dcx n THR 47 N 5.01 0.00 0.91 0.64 -2.24 -0.52 0.45 114.28 118.53 3dcx n THR 47 Ca -0.14 -0.70 0.11 0.00 -2.27 0.00 0.00 64.05 61.05 3dcx n THR 47 Cb 0.49 -0.74 0.52 0.00 -2.10 0.00 0.00 70.33 68.50 3dcx n THR 47 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3dcx n ASN 48 N -2.62 0.00 0.00 3.42 6.94 -0.31 -4.16 115.26 118.52 3dcx n ASN 48 Ca 0.05 0.23 0.00 0.00 -0.02 0.00 0.00 54.58 54.83 3dcx n ASN 48 Cb 0.21 -0.39 0.00 0.00 -2.36 0.00 0.00 39.78 37.24 3dcx n ASN 48 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 3dcx n LYS 49 N -1.39 2.41 -3.62 -3.83 5.02 -1.26 -5.02 118.16 110.47 3dcx n LYS 49 Ca 0.08 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.27 3dcx n LYS 49 Cb 0.22 -0.85 -0.04 0.00 -0.02 0.00 0.00 35.03 34.34 3dcx n LYS 49 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 3dcx s ARG 50 N -1.59 1.15 -0.16 1.97 1.70 -1.26 -1.99 118.95 118.77 3dcx s ARG 50 Ca 0.00 -0.70 -0.17 0.00 -0.47 0.00 0.00 55.73 54.39 3dcx s ARG 50 Cb 0.00 0.50 -0.04 0.00 -0.57 0.00 0.00 34.95 34.83 3dcx s ARG 50 CO 0.00 -0.47 0.42 -1.17 -1.08 0.00 0.00 175.30 173.01 3dcx s LEU 51 N -2.81 4.22 -0.25 -1.89 2.96 -0.31 -1.43 118.68 119.17 3dcx s LEU 51 Ca 0.04 0.65 -0.07 0.00 -0.22 0.00 0.00 54.13 54.53 3dcx s LEU 51 Cb 0.01 -2.58 -0.02 0.00 0.50 0.00 0.00 46.19 44.10 3dcx s LEU 51 CO -0.11 -0.03 0.06 -0.63 -1.32 0.00 0.00 176.35 174.32 3dcx s ILE 52 N 0.92 4.13 -0.34 6.68 1.01 0.74 -0.51 121.20 133.83 3dcx s ILE 52 Ca 0.22 -0.29 -0.18 0.00 0.00 0.00 0.00 60.65 60.40 3dcx s ILE 52 Cb -0.15 -2.95 -0.01 0.00 0.01 0.00 0.00 42.46 39.36 3dcx s ILE 52 CO 0.08 0.31 0.49 -0.76 0.00 0.00 0.00 174.94 175.06 3dcx s LEU 53 N 1.58 4.31 -0.37 2.97 1.02 0.28 -0.14 118.68 128.34 3dcx s LEU 53 Ca 0.06 0.02 -0.11 0.00 0.02 0.00 0.00 54.13 54.12 3dcx s LEU 53 Cb -0.15 -2.55 0.02 0.00 0.02 0.00 0.00 46.19 43.52 3dcx s LEU 53 CO 0.02 -0.43 0.21 -0.63 0.02 0.00 0.00 176.35 175.55 3dcx s ILE 54 N 2.32 4.67 -0.07 -0.59 1.01 -1.26 -1.33 121.20 125.96 3dcx s ILE 54 Ca 0.18 -0.77 0.05 0.00 0.00 0.00 0.00 60.65 60.11 3dcx s ILE 54 Cb -0.16 -3.57 -0.01 0.00 0.01 0.00 0.00 42.46 38.73 3dcx s ILE 54 CO 0.12 -0.20 -0.24 -1.81 0.00 0.00 0.00 174.94 172.81 3dcx s ASP 55 N 1.58 3.12 -0.01 3.58 1.11 -0.26 -4.47 116.67 121.31 3dcx s ASP 55 Ca 0.03 -0.51 0.03 0.00 0.18 0.00 0.00 52.55 52.28 3dcx s ASP 55 Cb -0.19 -1.01 -0.03 0.00 1.07 0.00 0.00 42.92 42.76 3dcx s ASP 55 CO 0.07 0.22 -0.10 -0.54 1.18 0.00 0.00 175.17 176.00 3dcx s LYS 56 N -0.03 2.50 0.05 8.23 1.02 -1.26 -0.88 119.74 129.38 3dcx s LYS 56 Ca -0.08 -0.73 0.07 0.00 0.02 0.00 0.00 55.97 55.26 3dcx s LYS 56 Cb -0.15 -2.45 -0.03 0.00 -0.52 0.00 0.00 37.83 34.69 3dcx s LYS 56 CO 0.05 0.61 -0.20 -0.65 -0.92 0.00 0.00 175.35 174.24 3dcx s GLN 57 N -1.19 1.31 0.00 1.68 -1.52 -0.18 -4.95 119.66 114.81 3dcx s GLN 57 Ca 0.15 -0.95 0.00 0.00 -1.95 0.00 0.00 55.36 52.61 3dcx s GLN 57 Cb -0.11 -1.44 0.00 0.00 -0.22 0.00 0.00 33.01 31.25 3dcx s GLN 57 CO 0.05 0.36 0.00 0.41 -0.25 0.00 0.00 175.29 175.86 3dcx n GLY 58 N 1.76 0.52 0.24 3.09 0.00 -1.26 -3.33 105.19 106.21 3dcx n GLY 58 Ca -0.18 -1.80 0.09 0.00 0.00 0.00 0.00 46.02 44.14 3dcx n GLY 58 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3dcx h VAL 59 N 0.00 0.81 0.00 1.61 -1.51 -2.02 -2.37 116.25 112.77 3dcx h VAL 59 Ca 0.00 -0.66 -0.02 0.00 -1.23 0.00 0.00 66.70 64.80 3dcx h VAL 59 Cb 0.00 1.39 -0.00 0.00 -2.13 0.00 0.00 31.29 30.55 3dcx h VAL 59 CO 0.00 0.17 -0.95 0.71 -1.23 0.00 0.00 177.57 176.26 3dcx h THR 60 N 0.00 0.06 -1.44 7.19 1.35 -2.02 -3.48 112.91 114.57 3dcx h THR 60 Ca -0.00 -1.11 -0.25 0.00 -0.55 0.00 0.00 66.41 64.49 3dcx h THR 60 Cb 0.38 1.61 -0.04 0.00 -1.73 0.00 0.00 68.15 68.36 3dcx h THR 60 CO 0.02 0.03 -0.30 0.61 -0.25 0.00 0.00 175.52 175.64 3dcx n GLY 61 N 1.20 0.30 0.14 5.82 0.00 -0.90 -4.92 105.19 106.83 3dcx n GLY 61 Ca -0.01 -0.38 -0.00 0.00 0.00 0.00 0.00 46.02 45.63 3dcx n GLY 61 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3dcx h LYS 62 N 0.00 0.00 -5.73 1.61 2.10 -1.86 -3.42 116.57 109.27 3dcx h LYS 62 Ca -0.29 0.00 -0.63 0.00 -2.00 0.00 0.00 60.65 57.73 3dcx h LYS 62 Cb 1.10 0.00 -0.13 0.00 -0.90 0.00 0.00 32.23 32.30 3dcx h LYS 62 CO 0.36 0.60 0.33 0.21 -2.00 0.00 0.00 179.45 178.95 3dcx s LYS 63 N -3.43 3.46 -0.05 0.07 2.20 -1.23 -4.99 119.74 115.77 3dcx s LYS 63 Ca -0.00 -0.06 0.05 0.00 -0.36 0.00 0.00 55.97 55.60 3dcx s LYS 63 Cb 0.11 -3.91 -0.01 0.00 -1.51 0.00 0.00 37.83 32.51 3dcx s LYS 63 CO 0.75 -1.05 -0.21 0.08 -0.36 0.00 0.00 175.35 174.56 3dcx s VAL 64 N 3.19 1.75 -0.06 4.02 1.01 -1.26 -1.02 120.40 128.04 3dcx s VAL 64 Ca 0.29 -0.90 0.05 0.00 0.00 0.00 0.00 61.98 61.43 3dcx s VAL 64 Cb -0.13 -1.49 -0.01 0.00 0.00 0.00 0.00 36.38 34.75 3dcx s VAL 64 CO 0.21 0.49 -0.22 -0.55 0.00 0.00 0.00 175.10 175.03 3dcx s SER 65 N -0.08 3.31 -0.34 3.32 0.15 -0.06 -4.99 113.70 115.02 3dcx s SER 65 Ca -0.03 -0.44 -0.04 0.00 0.70 0.00 0.00 55.95 56.14 3dcx s SER 65 Cb -0.13 -0.84 0.06 0.00 -1.71 0.00 0.00 66.02 63.40 3dcx s SER 65 CO 0.03 0.26 0.09 -0.31 1.20 0.00 0.00 173.24 174.52 3dcx s TYR 66 N -0.27 3.34 -0.28 3.44 1.51 -1.26 -1.10 117.35 122.72 3dcx s TYR 66 Ca 0.00 -1.85 -0.05 0.00 -1.01 0.00 0.00 57.07 54.16 3dcx s TYR 66 Cb -0.13 -2.47 0.02 0.00 -0.11 0.00 0.00 41.96 39.27 3dcx s TYR 66 CO 0.03 -0.83 0.03 -1.58 -1.11 0.00 0.00 175.55 172.09 3dcx s HIS 67 N 1.28 3.14 -0.22 2.71 2.46 -0.44 -4.94 115.29 119.28 3dcx s HIS 67 Ca -0.01 -1.29 -0.13 0.00 0.47 0.00 0.00 55.06 54.11 3dcx s HIS 67 Cb -0.21 -2.18 -0.05 0.00 -0.13 0.00 0.00 32.58 30.02 3dcx s HIS 67 CO -0.01 -0.66 0.25 -1.12 -2.47 0.00 0.00 174.74 170.73 3dcx s SER 68 N 1.41 6.25 -0.33 9.88 0.01 -1.26 -0.55 113.70 129.11 3dcx s SER 68 Ca 0.01 0.27 0.03 0.00 1.31 0.00 0.00 55.95 57.58 3dcx s SER 68 Cb -0.17 -2.15 0.09 0.00 0.21 0.00 0.00 66.02 64.00 3dcx s SER 68 CO -0.00 0.02 0.03 -0.69 0.41 0.00 0.00 173.24 173.01 3dcx s VAL 69 N 1.11 2.15 0.32 3.43 1.01 0.33 -4.98 120.40 123.77 3dcx s VAL 69 Ca 0.12 -2.18 -0.29 0.00 0.00 0.00 0.00 61.98 59.63 3dcx s VAL 69 Cb -0.14 -2.55 -0.11 0.00 0.00 0.00 0.00 36.38 33.58 3dcx s VAL 69 CO 0.05 -0.53 1.49 -2.84 0.00 0.00 0.00 175.10 173.28 3dcx s PRO 70 N 0.98 4.17 0.38 2.72 0.02 -1.26 -1.16 135.00 140.85 3dcx s PRO 70 Ca 0.08 2.49 0.07 0.00 0.02 0.00 0.00 61.00 63.66 3dcx s PRO 70 Cb -0.19 -3.02 0.80 0.00 0.02 0.00 0.00 34.50 32.11 3dcx s PRO 70 CO -0.09 -0.50 1.98 1.88 -0.33 0.00 0.00 177.00 179.94 3dcx h TYR 71 N 3.97 0.67 0.00 6.54 0.05 -1.74 -0.51 116.97 125.96 3dcx h TYR 71 Ca -0.49 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.31 3dcx h TYR 71 Cb 1.23 -0.22 0.00 0.00 1.01 0.00 0.00 36.73 38.74 3dcx h TYR 71 CO 0.56 0.37 0.00 1.57 -1.05 0.00 0.00 178.16 179.61 3dcx h LYS 72 N 0.67 0.00 -0.00 4.88 -0.00 -1.89 -2.42 116.57 117.82 3dcx h LYS 72 Ca 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.93 3dcx h LYS 72 Cb 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.47 3dcx h LYS 72 CO -0.09 0.00 -0.64 0.00 -0.00 0.00 0.00 179.45 178.72 3dcx n ALA 73 N -1.90 3.91 -2.64 0.07 0.00 -0.20 -4.87 120.51 114.87 3dcx n ALA 73 Ca -0.01 -0.43 -0.43 0.00 0.00 0.00 0.00 53.44 52.57 3dcx n ALA 73 Cb 0.13 -1.01 -0.02 0.00 0.00 0.00 0.00 19.45 18.55 3dcx n ALA 73 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3dcx s ILE 74 N -2.97 4.66 -0.22 0.00 1.01 -0.91 0.12 121.20 122.88 3dcx s ILE 74 Ca 0.11 1.98 -0.18 0.00 0.00 0.00 0.00 60.65 62.56 3dcx s ILE 74 Cb 0.17 -4.28 -0.15 0.00 0.01 0.00 0.00 42.46 38.21 3dcx s ILE 74 CO 0.74 -0.14 -0.00 0.35 0.00 0.00 0.00 174.94 175.89 3dcx n THR 75 N 5.16 1.52 -4.03 2.92 -2.24 -0.51 -4.88 114.28 112.22 3dcx n THR 75 Ca 0.12 -0.11 -0.10 0.00 -2.27 0.00 0.00 64.05 61.69 3dcx n THR 75 Cb 0.46 -2.03 -0.06 0.00 -2.10 0.00 0.00 70.33 66.60 3dcx n THR 75 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 3dcx s HIS 76 N -2.42 0.51 0.16 4.78 -3.43 -1.25 -5.04 115.29 108.60 3dcx s HIS 76 Ca -0.31 -0.84 -0.17 0.00 -0.80 0.00 0.00 55.06 52.94 3dcx s HIS 76 Cb 0.08 0.05 0.03 0.00 -1.43 0.00 0.00 32.58 31.32 3dcx s HIS 76 CO 0.53 -0.93 0.47 -0.59 -2.00 0.00 0.00 174.74 172.22 3dcx s PHE 77 N -4.04 -0.17 -0.10 0.38 -0.71 -1.26 -1.50 117.98 110.58 3dcx s PHE 77 Ca 0.25 -0.15 -0.11 0.00 -1.04 0.00 0.00 56.93 55.88 3dcx s PHE 77 Cb 0.01 0.33 0.03 0.00 -1.21 0.00 0.00 43.02 42.18 3dcx s PHE 77 CO 0.09 -0.81 0.30 -2.00 -1.34 0.00 0.00 175.22 171.47 3dcx s GLU 78 N -3.84 0.42 -0.08 1.99 2.12 -0.47 -5.00 118.70 113.84 3dcx s GLU 78 Ca 0.06 0.30 0.04 0.00 0.36 0.00 0.00 54.97 55.73 3dcx s GLU 78 Cb 0.00 0.20 -0.00 0.00 0.26 0.00 0.00 34.13 34.59 3dcx s GLU 78 CO -0.08 -0.07 -0.21 0.08 -0.54 0.00 0.00 175.26 174.44 3dcx s VAL 79 N -0.14 1.80 0.03 3.70 1.01 -1.26 -0.54 120.40 125.00 3dcx s VAL 79 Ca -0.03 -0.89 0.03 0.00 0.00 0.00 0.00 61.98 61.10 3dcx s VAL 79 Cb -0.03 -1.56 -0.02 0.00 0.00 0.00 0.00 36.38 34.78 3dcx s VAL 79 CO 0.01 0.50 -0.10 -0.70 0.00 0.00 0.00 175.10 174.81 3dcx s GLU 80 N 0.25 0.70 0.66 2.72 2.12 -0.62 -4.97 118.70 119.57 3dcx s GLU 80 Ca -0.13 -0.65 -0.17 0.00 0.36 0.00 0.00 54.97 54.38 3dcx s GLU 80 Cb -0.16 -0.63 -0.00 0.00 0.26 0.00 0.00 34.13 33.60 3dcx s GLU 80 CO 0.06 0.15 1.24 0.95 -0.54 0.00 0.00 175.26 177.12 3dcx s THR 81 N -0.88 2.31 0.25 -1.70 -4.23 -1.26 -0.38 115.64 109.75 3dcx s THR 81 Ca -0.02 0.18 -0.14 0.00 -1.18 0.00 0.00 61.69 60.53 3dcx s THR 81 Cb -0.07 -2.95 0.00 0.00 1.34 0.00 0.00 72.50 70.82 3dcx s THR 81 CO 0.01 -0.06 0.51 0.00 -0.54 0.00 0.00 174.62 174.54 3dcx s ALA 82 N -1.67 -0.41 0.03 3.99 0.00 -0.50 -4.71 121.76 118.48 3dcx s ALA 82 Ca 0.78 -0.77 0.00 0.00 0.00 0.00 0.00 51.96 51.97 3dcx s ALA 82 Cb -0.32 1.03 0.00 0.00 0.00 0.00 0.00 23.12 23.82 3dcx s ALA 82 CO 0.40 -0.88 0.00 0.41 0.00 0.00 0.00 175.76 175.69 3dcx n GLY 83 N -0.39 -2.10 3.69 0.00 0.00 -1.26 -1.48 105.19 103.64 3dcx n GLY 83 Ca -0.02 -1.44 -0.43 0.00 0.00 0.00 0.00 46.02 44.13 3dcx n GLY 83 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3dcx n THR 84 N -0.94 0.38 -2.28 2.61 -1.04 -1.26 -2.10 114.28 109.65 3dcx n THR 84 Ca 0.00 -0.07 -0.14 0.00 -2.04 0.00 0.00 64.05 61.80 3dcx n THR 84 Cb 0.05 -2.07 -0.02 0.00 -1.82 0.00 0.00 70.33 66.48 3dcx n THR 84 CO 0.00 0.00 0.00 0.33 -0.64 0.00 0.00 175.07 174.76 3dcx n PHE 85 N 5.66 -1.17 -2.78 -1.42 7.35 -1.26 -4.66 117.46 119.18 3dcx n PHE 85 Ca 0.18 0.00 -0.00 0.00 -0.76 0.00 0.00 57.45 56.87 3dcx n PHE 85 Cb 0.36 -3.00 -0.00 0.00 0.35 0.00 0.00 39.48 37.19 3dcx n PHE 85 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 3dcx n ASP 86 N -1.67 -7.80 0.00 -2.13 8.00 -0.89 -5.04 116.55 107.01 3dcx n ASP 86 Ca -0.17 1.32 0.00 0.00 0.71 0.00 0.00 54.79 56.65 3dcx n ASP 86 Cb 0.61 -4.90 0.00 0.00 -0.02 0.00 0.00 41.12 36.81 3dcx n ASP 86 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3dcx n ASP 88 N 0.79 0.00 -4.05 -2.24 8.00 -0.55 -4.48 116.55 114.03 3dcx n ASP 88 Ca -0.00 0.00 -0.08 0.00 0.71 0.00 0.00 54.79 55.42 3dcx n ASP 88 Cb 0.07 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.07 3dcx n ASP 88 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dcx s ALA 89 N 0.00 0.39 -0.07 2.24 0.00 -0.23 -1.41 121.76 122.67 3dcx s ALA 89 Ca 0.00 -1.11 0.01 0.00 0.00 0.00 0.00 51.96 50.86 3dcx s ALA 89 Cb 0.00 0.38 0.02 0.00 0.00 0.00 0.00 23.12 23.52 3dcx s ALA 89 CO 0.00 -0.41 -0.08 -2.00 0.00 0.00 0.00 175.76 173.26 3dcx s GLU 90 N -3.92 1.36 -0.17 0.00 2.12 0.49 0.10 118.70 118.67 3dcx s GLU 90 Ca 0.08 -0.26 -0.09 0.00 0.36 0.00 0.00 54.97 55.06 3dcx s GLU 90 Cb 0.07 -1.26 -0.05 0.00 0.26 0.00 0.00 34.13 33.16 3dcx s GLU 90 CO -0.09 -0.08 0.12 -1.17 -0.54 0.00 0.00 175.26 173.50 3dcx s LEU 91 N 1.02 4.21 -0.16 2.70 2.96 0.14 -1.58 118.68 127.97 3dcx s LEU 91 Ca -0.09 0.28 0.01 0.00 -0.22 0.00 0.00 54.13 54.11 3dcx s LEU 91 Cb -0.15 -2.07 0.00 0.00 0.50 0.00 0.00 46.19 44.48 3dcx s LEU 91 CO -0.00 0.25 -0.17 -0.54 -1.32 0.00 0.00 176.35 174.57 3dcx s LYS 92 N -0.06 3.16 -0.22 1.98 1.02 0.30 -0.33 119.74 125.58 3dcx s LYS 92 Ca 0.10 -0.77 -0.02 0.00 0.02 0.00 0.00 55.97 55.30 3dcx s LYS 92 Cb -0.11 -2.60 0.01 0.00 -0.52 0.00 0.00 37.83 34.61 3dcx s LYS 92 CO 0.00 -0.03 -0.09 -0.51 -0.92 0.00 0.00 175.35 173.80 3dcx s LEU 93 N 0.91 2.83 0.12 3.17 1.43 0.40 -1.37 118.68 126.16 3dcx s LEU 93 Ca -0.04 -0.67 -0.14 0.00 -1.03 0.00 0.00 54.13 52.25 3dcx s LEU 93 Cb -0.15 -1.64 -0.07 0.00 0.03 0.00 0.00 46.19 44.37 3dcx s LEU 93 CO -0.02 -0.06 0.52 0.26 0.23 0.00 0.00 176.35 177.27 3dcx s TRP 94 N 1.36 3.63 -0.02 0.29 0.51 -0.56 0.17 118.94 124.33 3dcx s TRP 94 Ca 0.03 1.04 0.05 0.00 -2.12 0.00 0.00 56.10 55.10 3dcx s TRP 94 Cb -0.15 -2.35 -0.01 0.00 -0.81 0.00 0.00 33.47 30.15 3dcx s TRP 94 CO -0.06 0.47 -0.16 0.42 -0.51 0.00 0.00 176.95 177.11 3dcx s ILE 95 N -1.39 1.26 0.08 2.03 1.01 -1.26 -1.42 121.20 121.50 3dcx s ILE 95 Ca 0.35 -0.67 -0.37 0.00 0.00 0.00 0.00 60.65 59.96 3dcx s ILE 95 Cb -0.15 -1.05 -0.17 0.00 0.01 0.00 0.00 42.46 41.10 3dcx s ILE 95 CO 0.19 0.36 1.35 -0.24 0.00 0.00 0.00 174.94 176.59 3dcx n SER 96 N 2.76 1.65 0.00 3.58 2.88 0.12 -2.29 113.62 122.32 3dcx n SER 96 Ca -0.15 1.12 0.00 0.00 -1.33 0.00 0.00 58.87 58.51 3dcx n SER 96 Cb 0.54 -1.19 0.00 0.00 -0.75 0.00 0.00 64.21 62.82 3dcx n SER 96 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3dcx n GLY 97 N 2.55 0.72 3.00 0.46 0.00 -1.26 -5.03 105.19 105.63 3dcx n GLY 97 Ca 0.19 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.11 3dcx n GLY 97 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3dcx s GLN 98 N -0.21 0.32 0.01 1.61 -2.07 -0.97 -5.07 119.66 113.28 3dcx s GLN 98 Ca 0.00 -0.53 -0.20 0.00 -1.82 0.00 0.00 55.36 52.81 3dcx s GLN 98 Cb 0.00 0.12 -0.24 0.00 -1.09 0.00 0.00 33.01 31.80 3dcx s GLN 98 CO 0.00 -0.06 1.09 -0.22 -1.32 0.00 0.00 175.29 174.78 3dcx h LYS 99 N 4.68 0.42 -6.12 9.60 3.64 -1.96 -3.40 116.57 123.42 3dcx h LYS 99 Ca -0.31 -0.47 -0.59 0.00 -1.27 0.00 0.00 60.65 58.01 3dcx h LYS 99 Cb 1.21 0.14 -0.05 0.00 -0.41 0.00 0.00 32.23 33.11 3dcx h LYS 99 CO 0.41 1.13 -0.10 -0.51 -2.27 0.00 0.00 179.45 178.11 3dcx s ASP 100 N -6.81 6.95 0.54 4.20 1.01 -1.26 -4.96 116.67 116.34 3dcx s ASP 100 Ca -0.13 1.13 -0.16 0.00 0.71 0.00 0.00 52.55 54.10 3dcx s ASP 100 Cb 0.04 -2.31 -0.07 0.00 1.01 0.00 0.00 42.92 41.58 3dcx s ASP 100 CO 0.83 0.28 1.00 -2.16 0.21 0.00 0.00 175.17 175.33 3dcx s PRO 101 N -1.00 3.81 -0.10 8.23 0.04 -1.26 -4.66 135.00 140.05 3dcx s PRO 101 Ca 0.27 0.95 -0.30 0.00 0.04 0.00 0.00 61.00 61.97 3dcx s PRO 101 Cb -0.18 -2.11 -0.03 0.00 0.04 0.00 0.00 34.50 32.22 3dcx s PRO 101 CO 0.16 -0.39 1.27 -1.17 0.04 0.00 0.00 177.00 176.92 3dcx s LEU 102 N -4.30 4.24 -0.16 -3.56 2.96 0.13 -4.86 118.68 113.12 3dcx s LEU 102 Ca 0.59 1.81 -0.03 0.00 -0.22 0.00 0.00 54.13 56.28 3dcx s LEU 102 Cb -0.11 -3.55 -0.02 0.00 0.50 0.00 0.00 46.19 43.01 3dcx s LEU 102 CO 0.36 -0.69 -0.06 -0.69 -1.32 0.00 0.00 176.35 173.94 3dcx s VAL 103 N 2.88 3.63 -0.09 1.68 1.01 -1.26 -0.45 120.40 127.80 3dcx s VAL 103 Ca 0.57 -0.44 0.01 0.00 0.00 0.00 0.00 61.98 62.11 3dcx s VAL 103 Cb -0.24 -2.59 0.02 0.00 0.00 0.00 0.00 36.38 33.57 3dcx s VAL 103 CO 0.20 0.49 -0.09 -0.75 0.00 0.00 0.00 175.10 174.94 3dcx s LYS 104 N 0.50 1.58 -0.01 2.72 2.47 0.55 -4.99 119.74 122.56 3dcx s LYS 104 Ca -0.05 -0.31 -0.30 0.00 -1.56 0.00 0.00 55.97 53.75 3dcx s LYS 104 Cb -0.15 -1.50 -0.04 0.00 -1.46 0.00 0.00 37.83 34.68 3dcx s LYS 104 CO 0.03 -0.15 1.20 -2.00 0.16 0.00 0.00 175.35 174.59 3dcx s GLU 105 N 1.29 4.39 -0.42 4.03 2.12 -1.26 -0.68 118.70 128.16 3dcx s GLU 105 Ca -0.03 1.71 0.00 0.00 0.36 0.00 0.00 54.97 57.02 3dcx s GLU 105 Cb -0.14 -3.48 0.12 0.00 0.26 0.00 0.00 34.13 30.89 3dcx s GLU 105 CO -0.04 -0.36 0.19 -0.51 -0.54 0.00 0.00 175.26 174.00 3dcx s LEU 106 N 1.74 4.97 0.59 2.70 1.43 0.12 -4.96 118.68 125.26 3dcx s LEU 106 Ca 0.57 -2.30 -0.16 0.00 -1.03 0.00 0.00 54.13 51.22 3dcx s LEU 106 Cb -0.27 -1.74 -0.04 0.00 0.03 0.00 0.00 46.19 44.17 3dcx s LEU 106 CO 0.25 -0.43 1.05 -0.54 0.23 0.00 0.00 176.35 176.91 3dcx s LYS 107 N 0.73 3.40 0.30 1.70 1.02 -1.26 -1.07 119.74 124.56 3dcx s LYS 107 Ca 0.11 1.16 -0.29 0.00 0.02 0.00 0.00 55.97 56.98 3dcx s LYS 107 Cb -0.22 -2.05 -0.13 0.00 -0.52 0.00 0.00 37.83 34.91 3dcx s LYS 107 CO -0.05 -0.74 1.15 1.17 -0.92 0.00 0.00 175.35 175.96 3dcx n LYS 108 N -2.00 1.66 0.00 1.68 4.81 -1.26 -1.90 118.16 121.15 3dcx n LYS 108 Ca 0.08 0.58 0.00 0.00 -0.87 0.00 0.00 58.31 58.11 3dcx n LYS 108 Cb 0.53 -2.06 0.00 0.00 0.02 0.00 0.00 35.03 33.52 3dcx n LYS 108 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3dcx n GLY 109 N 1.20 2.34 3.77 3.14 0.00 -1.26 -5.03 105.19 109.35 3dcx n GLY 109 Ca 0.08 -0.21 -0.37 0.00 0.00 0.00 0.00 46.02 45.52 3dcx n GLY 109 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dcx s THR 110 N -1.96 2.96 -1.29 2.61 2.01 -0.80 -4.92 115.64 114.24 3dcx s THR 110 Ca 0.00 0.70 -0.16 0.00 0.31 0.00 0.00 61.69 62.54 3dcx s THR 110 Cb 0.00 -3.34 0.10 0.00 0.01 0.00 0.00 72.50 69.27 3dcx s THR 110 CO 0.00 -0.03 1.72 -0.67 -0.69 0.00 0.00 174.62 174.95 3dcx n ASP 111 N -0.73 4.91 -0.15 3.53 2.03 -1.26 -4.76 116.55 120.11 3dcx n ASP 111 Ca 0.09 -2.94 -0.11 0.00 0.52 0.00 0.00 54.79 52.35 3dcx n ASP 111 Cb 0.48 -1.68 -0.01 0.00 -0.72 0.00 0.00 41.12 39.19 3dcx n ASP 111 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 3dcx h VAL 112 N 5.07 1.27 -0.24 5.18 2.07 -1.95 -1.81 116.25 125.84 3dcx h VAL 112 Ca 0.43 -1.22 0.00 0.00 0.82 0.00 0.00 66.70 66.73 3dcx h VAL 112 Cb 0.83 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 3dcx h VAL 112 CO 1.46 0.42 0.16 0.58 0.02 0.00 0.00 177.57 180.20 3dcx h VAL 113 N 0.70 1.07 -0.60 2.57 2.07 -2.00 -2.00 116.25 118.06 3dcx h VAL 113 Ca 0.11 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 3dcx h VAL 113 Cb 0.64 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 3dcx h VAL 113 CO 0.04 0.06 0.36 1.23 0.02 0.00 0.00 177.57 179.29 3dcx h GLY 114 N 0.32 0.87 0.96 2.17 0.00 -1.91 -1.79 103.07 103.69 3dcx h GLY 114 Ca 0.09 -0.36 0.02 0.00 0.00 0.00 0.00 47.33 47.07 3dcx h GLY 114 CO -0.02 0.35 0.49 -2.22 0.00 0.00 0.00 176.54 175.14 3dcx h ILE 115 N 0.81 1.17 -0.21 2.60 2.04 -1.18 -0.45 117.51 122.28 3dcx h ILE 115 Ca 0.22 -0.34 -0.00 0.00 1.00 0.00 0.00 64.86 65.73 3dcx h ILE 115 Cb -0.02 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.14 3dcx h ILE 115 CO -0.04 0.18 0.13 1.56 0.00 0.00 0.00 178.15 179.98 3dcx h GLN 116 N 0.99 0.29 -1.00 2.37 4.20 -1.02 -0.60 115.11 120.34 3dcx h GLN 116 Ca 0.28 -0.03 0.02 0.00 0.06 0.00 0.00 58.65 58.98 3dcx h GLN 116 Cb -0.07 -0.06 -0.05 0.00 0.30 0.00 0.00 27.48 27.59 3dcx h GLN 116 CO -0.08 0.24 0.66 -0.22 -0.67 0.00 0.00 178.83 178.77 3dcx h LYS 117 N 0.26 1.29 -0.24 1.46 3.64 -0.97 -2.03 116.57 119.98 3dcx h LYS 117 Ca 0.08 -0.08 -0.19 0.00 -1.27 0.00 0.00 60.65 59.19 3dcx h LYS 117 Cb 0.03 -0.29 0.00 0.00 -0.41 0.00 0.00 32.23 31.56 3dcx h LYS 117 CO -0.01 0.86 -0.58 1.15 -2.27 0.00 0.00 179.45 178.59 3dcx h THR 118 N 1.33 1.28 -0.57 1.00 2.02 -0.72 0.34 112.91 117.60 3dcx h THR 118 Ca 0.38 -1.77 0.05 0.00 0.77 0.00 0.00 66.41 65.83 3dcx h THR 118 Cb -0.11 1.76 -0.05 0.00 -1.74 0.00 0.00 68.15 68.00 3dcx h THR 118 CO -0.09 0.57 0.29 0.40 0.37 0.00 0.00 175.52 177.06 3dcx h ILE 119 N 0.58 0.95 -0.28 3.11 2.04 -1.01 -0.69 117.51 122.21 3dcx h ILE 119 Ca -0.00 -0.19 0.04 0.00 1.00 0.00 0.00 64.86 65.71 3dcx h ILE 119 Cb 1.20 0.35 -0.04 0.00 -0.74 0.00 0.00 36.82 37.59 3dcx h ILE 119 CO 0.13 0.10 0.06 0.00 0.00 0.00 0.00 178.15 178.43 3dcx h ALA 120 N 1.31 0.29 -0.67 1.87 0.00 -1.06 0.13 119.26 121.14 3dcx h ALA 120 Ca 0.25 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.20 3dcx h ALA 120 Cb 0.17 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3dcx h ALA 120 CO -0.18 -0.36 0.34 -0.91 0.00 0.00 0.00 179.25 178.15 3dcx h ASN 121 N 0.16 0.83 0.18 0.00 2.35 -0.23 -2.84 115.58 116.03 3dcx h ASN 121 Ca 0.13 -0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 3dcx h ASN 121 Cb 0.13 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.29 3dcx h ASN 121 CO -0.17 0.69 -1.36 0.49 -1.65 0.00 0.00 177.43 175.42 3dcx n PHE 122 N -4.36 0.12 0.22 1.19 3.72 -0.33 -4.54 117.46 113.49 3dcx n PHE 122 Ca 0.06 0.04 0.02 0.00 -0.05 0.00 0.00 57.45 57.52 3dcx n PHE 122 Cb 0.11 -0.36 -0.01 0.00 -0.94 0.00 0.00 39.48 38.29 3dcx n PHE 122 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3dcx n SER 123 N -1.97 0.61 -0.65 4.37 3.41 0.44 -4.87 113.62 114.97 3dcx n SER 123 Ca 0.00 -0.80 0.08 0.00 -0.26 0.00 0.00 58.87 57.89 3dcx n SER 123 Cb 0.46 0.69 0.07 0.00 -0.26 0.00 0.00 64.21 65.16 3dcx n SER 123 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06