#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dcx s ALA 11 N 0.00 3.82 -0.01 5.20 0.00 0.45 -4.78 121.76 126.45 3dcx s ALA 11 Ca 0.00 -0.75 0.01 0.00 0.00 0.00 0.00 51.96 51.22 3dcx s ALA 11 Cb 0.00 -1.82 -0.04 0.00 0.00 0.00 0.00 23.12 21.26 3dcx s ALA 11 CO 0.00 0.69 0.02 0.00 0.00 0.00 0.00 175.76 176.47 3dcx s ALA 12 N -1.19 3.35 0.38 0.00 0.00 -0.49 -4.24 121.76 119.57 3dcx s ALA 12 Ca 0.22 -0.93 -0.25 0.00 0.00 0.00 0.00 51.96 51.00 3dcx s ALA 12 Cb -0.12 -1.40 -0.09 0.00 0.00 0.00 0.00 23.12 21.51 3dcx s ALA 12 CO 0.13 0.65 1.08 -1.21 0.00 0.00 0.00 175.76 176.41 3dcx s GLU 13 N -1.56 4.21 -0.09 0.00 2.02 -1.26 -0.51 118.70 121.51 3dcx s GLU 13 Ca 0.20 1.63 0.01 0.00 0.02 0.00 0.00 54.97 56.83 3dcx s GLU 13 Cb -0.12 -2.68 -0.02 0.00 0.10 0.00 0.00 34.13 31.41 3dcx s GLU 13 CO 0.11 -0.12 -0.12 0.08 0.02 0.00 0.00 175.26 175.22 3dcx s VAL 14 N -1.52 3.17 -0.10 2.63 1.01 -0.57 -4.82 120.40 120.19 3dcx s VAL 14 Ca 0.55 -0.65 -0.30 0.00 0.00 0.00 0.00 61.98 61.59 3dcx s VAL 14 Cb -0.26 -2.29 -0.04 0.00 0.00 0.00 0.00 36.38 33.80 3dcx s VAL 14 CO 0.32 0.56 1.45 0.21 0.00 0.00 0.00 175.10 177.64 3dcx s ASN 15 N -0.24 6.81 0.23 3.32 3.84 -1.26 -4.62 114.94 123.02 3dcx s ASN 15 Ca 0.02 1.97 0.12 0.00 0.21 0.00 0.00 52.86 55.18 3dcx s ASN 15 Cb -0.13 -2.54 0.06 0.00 -0.55 0.00 0.00 41.25 38.09 3dcx s ASN 15 CO 0.03 -0.83 1.43 -0.07 -2.79 0.00 0.00 177.10 174.87 3dcx h LEU 16 N 9.85 0.00 -0.48 3.21 3.38 -1.98 -1.51 115.31 127.78 3dcx h LEU 16 Ca -0.33 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.58 3dcx h LEU 16 Cb 1.14 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.87 3dcx h LEU 16 CO 0.96 0.69 0.07 0.44 0.09 0.00 0.00 178.44 180.69 3dcx h ASP 17 N 0.00 0.77 -0.24 -0.43 3.32 -1.99 -0.06 116.42 117.79 3dcx h ASP 17 Ca -0.01 -0.27 -0.02 0.00 0.02 0.00 0.00 57.03 56.76 3dcx h ASP 17 Cb 1.45 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.78 3dcx h ASP 17 CO 0.09 0.84 0.07 -0.33 -1.72 0.00 0.00 179.24 178.19 3dcx h GLU 18 N 0.67 0.38 -0.57 3.56 4.39 -1.96 -2.84 114.58 118.20 3dcx h GLU 18 Ca 0.14 -0.08 -0.06 0.00 0.34 0.00 0.00 59.36 59.70 3dcx h GLU 18 Cb 0.40 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.98 3dcx h GLU 18 CO 0.01 0.47 0.11 1.25 -1.16 0.00 0.00 179.01 179.69 3dcx h LEU 19 N 0.22 0.89 -1.21 1.33 5.85 -1.16 -2.17 115.31 119.05 3dcx h LEU 19 Ca 0.08 -0.25 0.13 0.00 0.84 0.00 0.00 57.88 58.68 3dcx h LEU 19 Cb 0.25 -0.24 -0.07 0.00 0.37 0.00 0.00 40.66 40.97 3dcx h LEU 19 CO -0.00 0.91 0.58 0.00 -0.34 0.00 0.00 178.44 179.59 3dcx h ALA 20 N 1.01 1.72 -0.47 1.25 0.00 -1.00 0.38 119.26 122.15 3dcx h ALA 20 Ca 0.18 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 3dcx h ALA 20 Cb 0.38 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3dcx h ALA 20 CO 0.01 0.05 -0.03 1.96 0.00 0.00 0.00 179.25 181.24 3dcx h GLN 21 N 0.80 0.85 0.11 0.00 1.08 -1.22 0.85 115.11 117.59 3dcx h GLN 21 Ca 0.45 -0.29 -0.01 0.00 -1.45 0.00 0.00 58.65 57.36 3dcx h GLN 21 Cb 0.60 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.96 3dcx h GLN 21 CO -0.21 0.92 -0.05 1.49 -0.95 0.00 0.00 178.83 180.02 3dcx h GLU 22 N 0.70 -0.14 0.00 1.46 4.57 -0.58 -3.30 114.58 117.30 3dcx h GLU 22 Ca 0.13 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.32 3dcx h GLU 22 Cb 0.55 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.17 3dcx h GLU 22 CO 0.03 0.13 -0.26 1.28 -1.18 0.00 0.00 179.01 179.01 3dcx n LEU 23 N -5.03 0.38 -0.31 1.64 4.77 0.12 -4.49 117.00 114.08 3dcx n LEU 23 Ca -0.08 0.30 0.15 0.00 -0.03 0.00 0.00 56.01 56.35 3dcx n LEU 23 Cb 0.19 -0.34 0.32 0.00 -2.33 0.00 0.00 43.42 41.25 3dcx n LEU 23 CO 0.33 0.01 0.93 1.23 -1.33 0.00 0.00 177.39 178.56 3dcx h GLY 24 N 4.86 1.45 2.00 -0.72 0.00 -0.90 0.53 103.07 110.29 3dcx h GLY 24 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.32 3dcx h GLY 24 CO 0.00 -0.44 0.00 -2.55 0.00 0.00 0.00 176.54 173.55 3dcx h PRO 25 N 0.15 0.00 -2.49 4.80 0.11 -1.83 -3.45 132.00 129.29 3dcx h PRO 25 Ca 0.60 0.00 -0.73 0.00 0.11 0.00 0.00 66.00 65.97 3dcx h PRO 25 Cb 1.26 0.00 -0.33 0.00 0.11 0.00 0.00 31.00 32.05 3dcx h PRO 25 CO -0.72 0.00 0.36 0.44 -0.21 0.00 0.00 178.00 177.87 3dcx n ILE 26 N -3.02 4.62 -4.15 4.15 -5.35 0.17 -5.14 119.36 110.63 3dcx n ILE 26 Ca -0.01 -5.76 -0.29 0.00 -0.27 0.00 0.00 62.75 56.41 3dcx n ILE 26 Cb 0.17 -1.84 -0.08 0.00 -1.74 0.00 0.00 39.64 36.16 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 -2.07 1.86 0.50 3.28 0.00 -1.26 -5.16 107.32 104.46 3dcx s GLY 28 Ca 0.38 -1.18 0.21 0.00 0.00 0.00 0.00 44.72 44.12 3dcx s GLY 28 CO -0.02 -1.17 2.01 -0.55 0.00 0.00 0.00 173.10 173.37 3dcx h ASP 29 N 3.32 0.12 -0.39 1.64 3.32 -2.01 -2.34 116.42 120.08 3dcx h ASP 29 Ca -0.48 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.50 3dcx h ASP 29 Cb 1.17 -0.02 -0.04 0.00 0.22 0.00 0.00 39.33 40.66 3dcx h ASP 29 CO 0.58 0.07 0.04 -3.20 -1.72 0.00 0.00 179.24 175.01 3dcx n ASN 30 N -4.43 3.91 -4.84 6.45 5.15 -1.26 -5.00 115.26 115.24 3dcx n ASN 30 Ca 0.08 -3.20 -0.33 0.00 -0.60 0.00 0.00 54.58 50.54 3dcx n ASN 30 Cb 0.48 -0.61 -0.06 0.00 -0.53 0.00 0.00 39.78 39.06 3dcx n ASN 30 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 3dcx s GLU 31 N -2.94 3.23 0.04 1.20 2.12 -0.88 -5.03 118.70 116.43 3dcx s GLU 31 Ca 0.46 -0.42 0.02 0.00 0.36 0.00 0.00 54.97 55.39 3dcx s GLU 31 Cb 0.38 -2.96 -0.02 0.00 0.26 0.00 0.00 34.13 31.78 3dcx s GLU 31 CO 0.08 0.66 -0.07 1.14 -0.54 0.00 0.00 175.26 176.53 3dcx s GLN 32 N -1.86 0.51 0.21 4.30 0.00 -1.26 -4.84 119.66 116.71 3dcx s GLN 32 Ca 0.25 -0.71 -0.30 0.00 -0.00 0.00 0.00 55.36 54.61 3dcx s GLN 32 Cb -0.12 -0.28 -0.08 0.00 0.00 0.00 0.00 33.01 32.52 3dcx s GLN 32 CO 0.16 0.05 1.00 -0.51 0.00 0.00 0.00 175.29 175.99 3dcx s LEU 33 N -1.46 4.57 -0.13 2.60 1.43 -1.26 -1.17 118.68 123.27 3dcx s LEU 33 Ca -0.09 1.99 -0.00 0.00 -1.03 0.00 0.00 54.13 54.99 3dcx s LEU 33 Cb -0.09 -3.61 -0.08 0.00 0.03 0.00 0.00 46.19 42.44 3dcx s LEU 33 CO 0.00 -0.00 -0.12 0.00 0.23 0.00 0.00 176.35 176.46 3dcx n ALA 34 N 1.89 1.81 -3.61 4.21 0.00 0.42 -4.88 120.51 120.35 3dcx n ALA 34 Ca -0.00 -0.53 -0.11 0.00 0.00 0.00 0.00 53.44 52.80 3dcx n ALA 34 Cb 0.47 0.24 -0.06 0.00 0.00 0.00 0.00 19.45 20.09 3dcx n ALA 34 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3dcx s LEU 35 N -5.91 -0.47 -0.18 0.00 2.96 -0.84 -5.01 118.68 109.23 3dcx s LEU 35 Ca -0.17 0.77 -0.19 0.00 -0.22 0.00 0.00 54.13 54.32 3dcx s LEU 35 Cb 0.05 1.99 0.05 0.00 0.50 0.00 0.00 46.19 48.78 3dcx s LEU 35 CO 0.28 -0.26 0.52 0.00 -1.32 0.00 0.00 176.35 175.57 3dcx s ALA 36 N -0.28 -1.30 0.03 5.97 0.00 -1.26 0.45 121.76 125.37 3dcx s ALA 36 Ca 0.00 1.40 0.06 0.00 0.00 0.00 0.00 51.96 53.43 3dcx s ALA 36 Cb -0.03 -0.75 -0.02 0.00 0.00 0.00 0.00 23.12 22.32 3dcx s ALA 36 CO -0.02 -0.26 -0.18 0.71 0.00 0.00 0.00 175.76 176.01 3dcx s TYR 37 N 0.08 1.62 -0.08 0.00 2.02 -0.26 -1.52 117.35 119.22 3dcx s TYR 37 Ca -0.02 -0.35 0.05 0.00 -0.37 0.00 0.00 57.07 56.38 3dcx s TYR 37 Cb -0.04 -0.98 -0.01 0.00 -0.40 0.00 0.00 41.96 40.54 3dcx s TYR 37 CO 0.02 0.06 -0.24 0.50 -1.57 0.00 0.00 175.55 174.31 3dcx s ARG 38 N -1.03 2.75 -0.14 -0.62 3.52 0.33 -1.43 118.95 122.33 3dcx s ARG 38 Ca 0.06 -0.89 -0.01 0.00 -0.13 0.00 0.00 55.73 54.76 3dcx s ARG 38 Cb -0.08 -2.21 0.04 0.00 -1.56 0.00 0.00 34.95 31.14 3dcx s ARG 38 CO 0.01 0.29 -0.03 0.08 -0.81 0.00 0.00 175.30 174.84 3dcx s VAL 39 N 0.05 0.88 0.00 7.11 1.01 -0.26 -1.39 120.40 127.80 3dcx s VAL 39 Ca -0.10 -0.42 0.00 0.00 0.00 0.00 0.00 61.98 61.46 3dcx s VAL 39 Cb -0.16 -1.07 0.00 0.00 0.00 0.00 0.00 36.38 35.16 3dcx s VAL 39 CO 0.06 0.15 0.00 -0.38 0.00 0.00 0.00 175.10 174.93 3dcx n ILE 40 N 4.96 0.00 0.22 2.22 2.08 -1.26 -1.10 119.36 126.48 3dcx n ILE 40 Ca -0.11 0.00 0.05 0.00 0.56 0.00 0.00 62.75 63.25 3dcx n ILE 40 Cb 0.48 0.00 0.07 0.00 -0.75 0.00 0.00 39.64 39.45 3dcx n ILE 40 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 3dcx n ARG 41 N 0.49 1.21 -0.18 0.38 1.74 -1.26 -5.09 116.66 113.95 3dcx n ARG 41 Ca 0.00 -1.39 -0.02 0.00 -0.77 0.00 0.00 57.85 55.67 3dcx n ARG 41 Cb 0.00 -1.21 0.01 0.00 -1.02 0.00 0.00 32.46 30.24 3dcx n ARG 41 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3dcx n ASP 42 N 0.51 0.01 -3.26 0.55 9.92 -0.26 -4.59 116.55 119.43 3dcx n ASP 42 Ca 0.07 -1.03 0.02 0.00 -0.53 0.00 0.00 54.79 53.32 3dcx n ASP 42 Cb 0.30 -0.06 -0.02 0.00 -0.64 0.00 0.00 41.12 40.70 3dcx n ASP 42 CO 0.00 0.00 0.00 0.12 0.13 0.00 0.00 177.20 177.45 3dcx s PHE 44 N -1.03 -1.50 -0.18 1.24 5.36 -0.52 -1.11 117.98 120.24 3dcx s PHE 44 Ca 0.04 1.77 -0.02 0.00 -0.96 0.00 0.00 56.93 57.76 3dcx s PHE 44 Cb -0.00 0.58 -0.01 0.00 -0.34 0.00 0.00 43.02 43.24 3dcx s PHE 44 CO 0.03 -0.83 -0.08 0.08 -1.46 0.00 0.00 175.22 172.96 3dcx s VAL 45 N 2.84 3.21 -0.26 3.12 1.01 -0.40 -1.10 120.40 128.83 3dcx s VAL 45 Ca 0.15 -0.57 -0.12 0.00 0.00 0.00 0.00 61.98 61.44 3dcx s VAL 45 Cb -0.14 -2.42 -0.05 0.00 0.00 0.00 0.00 36.38 33.77 3dcx s VAL 45 CO -0.20 0.47 0.25 -0.36 0.00 0.00 0.00 175.10 175.26 3dcx s PHE 46 N 1.04 3.27 0.55 5.22 0.40 0.17 -0.53 117.98 128.10 3dcx s PHE 46 Ca -0.00 0.27 0.06 0.00 -0.60 0.00 0.00 56.93 56.66 3dcx s PHE 46 Cb -0.15 -2.41 0.05 0.00 0.51 0.00 0.00 43.02 41.02 3dcx s PHE 46 CO -0.01 -0.11 0.50 0.95 0.70 0.00 0.00 175.22 177.26 3dcx s THR 47 N 1.61 1.75 -1.10 0.64 -4.23 0.13 -0.44 115.64 114.01 3dcx s THR 47 Ca 0.10 -1.37 0.23 0.00 -1.18 0.00 0.00 61.69 59.47 3dcx s THR 47 Cb -0.15 -2.12 0.25 0.00 1.34 0.00 0.00 72.50 71.81 3dcx s THR 47 CO 0.09 0.00 1.76 -0.46 -0.54 0.00 0.00 174.62 175.46 3dcx n ASN 48 N -1.89 0.00 -0.01 3.99 6.94 -0.31 -3.95 115.26 120.03 3dcx n ASN 48 Ca 0.03 0.37 0.01 0.00 -0.02 0.00 0.00 54.58 54.96 3dcx n ASN 48 Cb 0.64 -0.45 -0.03 0.00 -2.36 0.00 0.00 39.78 37.58 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 -1.45 1.26 -3.63 -3.83 4.76 -1.26 -4.94 118.16 109.07 3dcx n LYS 49 Ca 0.07 -0.02 -0.08 0.00 -2.87 0.00 0.00 58.31 55.41 3dcx n LYS 49 Cb 0.25 -1.08 -0.02 0.00 -1.84 0.00 0.00 35.03 32.34 3dcx n LYS 49 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 3dcx s ARG 50 N -2.19 1.28 0.16 1.97 1.70 -1.25 -2.83 118.95 117.79 3dcx s ARG 50 Ca -0.01 -0.61 -0.22 0.00 -0.47 0.00 0.00 55.73 54.41 3dcx s ARG 50 Cb 0.02 0.51 -0.08 0.00 -0.57 0.00 0.00 34.95 34.83 3dcx s ARG 50 CO 0.14 -0.58 0.71 -0.51 -1.08 0.00 0.00 175.30 173.99 3dcx s LEU 51 N -2.78 4.52 -0.21 -1.89 1.43 -0.08 -0.69 118.68 119.00 3dcx s LEU 51 Ca 0.07 1.50 0.00 0.00 -1.03 0.00 0.00 54.13 54.67 3dcx s LEU 51 Cb -0.02 -3.26 0.02 0.00 0.03 0.00 0.00 46.19 42.96 3dcx s LEU 51 CO -0.04 0.19 -0.14 -0.63 0.23 0.00 0.00 176.35 175.96 3dcx s ILE 52 N -1.23 2.40 -0.33 -0.59 1.01 0.31 -0.47 121.20 122.31 3dcx s ILE 52 Ca 0.36 -0.96 -0.13 0.00 0.00 0.00 0.00 60.65 59.93 3dcx s ILE 52 Cb -0.21 -2.10 -0.02 0.00 0.01 0.00 0.00 42.46 40.14 3dcx s ILE 52 CO 0.23 0.41 0.23 -0.76 0.00 0.00 0.00 174.94 175.05 3dcx s LEU 53 N 1.31 4.45 -0.25 2.97 1.02 0.44 -1.28 118.68 127.33 3dcx s LEU 53 Ca 0.03 -0.37 -0.06 0.00 0.02 0.00 0.00 54.13 53.76 3dcx s LEU 53 Cb -0.14 -2.13 -0.01 0.00 0.02 0.00 0.00 46.19 43.93 3dcx s LEU 53 CO -0.09 -0.21 0.02 -0.63 0.02 0.00 0.00 176.35 175.46 3dcx s ILE 54 N 1.73 3.77 -0.16 -0.59 1.01 -1.26 -0.59 121.20 125.12 3dcx s ILE 54 Ca 0.06 -0.51 0.01 0.00 0.00 0.00 0.00 60.65 60.21 3dcx s ILE 54 Cb -0.17 -2.82 0.02 0.00 0.01 0.00 0.00 42.46 39.50 3dcx s ILE 54 CO 0.11 0.28 -0.17 -0.62 0.00 0.00 0.00 174.94 174.53 3dcx s ASP 55 N 1.51 2.87 -0.03 3.58 2.15 -0.13 -4.41 116.67 122.22 3dcx s ASP 55 Ca 0.05 -0.55 0.07 0.00 0.43 0.00 0.00 52.55 52.55 3dcx s ASP 55 Cb -0.16 -1.31 -0.02 0.00 -0.30 0.00 0.00 42.92 41.14 3dcx s ASP 55 CO 0.00 -0.02 -0.25 -0.54 -0.17 0.00 0.00 175.17 174.20 3dcx s LYS 56 N 1.32 2.19 -0.51 4.34 1.02 -1.26 -0.76 119.74 126.08 3dcx s LYS 56 Ca 0.03 -0.90 -0.28 0.00 0.02 0.00 0.00 55.97 54.84 3dcx s LYS 56 Cb -0.13 -2.09 0.01 0.00 -0.52 0.00 0.00 37.83 35.10 3dcx s LYS 56 CO -0.10 0.55 1.39 1.14 -0.92 0.00 0.00 175.35 177.41 3dcx s GLN 57 N -0.59 3.43 3.56 1.68 -2.07 -1.22 -4.73 119.66 119.72 3dcx s GLN 57 Ca 0.09 0.62 0.00 0.00 -1.82 0.00 0.00 55.36 54.25 3dcx s GLN 57 Cb -0.10 -4.07 0.00 0.00 -1.09 0.00 0.00 33.01 27.74 3dcx s GLN 57 CO -0.00 -1.77 0.00 0.41 -1.32 0.00 0.00 175.29 172.61 3dcx n GLY 58 N 5.17 0.21 0.04 2.60 0.00 -1.26 -1.32 105.19 110.63 3dcx n GLY 58 Ca 0.14 -0.94 0.08 0.00 0.00 0.00 0.00 46.02 45.30 3dcx n GLY 58 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3dcx n VAL 59 N 0.00 0.31 -0.88 1.61 0.24 -1.26 -4.33 118.33 114.02 3dcx n VAL 59 Ca 0.00 -0.56 0.00 0.00 -2.04 0.00 0.00 64.34 61.74 3dcx n VAL 59 Cb 0.00 -0.14 0.00 0.00 -1.47 0.00 0.00 33.84 32.23 3dcx n VAL 59 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 3dcx n THR 60 N -2.41 0.00 -1.68 3.34 5.66 -1.26 -5.01 114.28 112.92 3dcx n THR 60 Ca -0.07 -0.01 -0.52 0.00 -3.05 0.00 0.00 64.05 60.41 3dcx n THR 60 Cb 0.65 1.88 -0.06 0.00 -1.55 0.00 0.00 70.33 71.25 3dcx n THR 60 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3dcx n GLY 61 N 0.00 1.15 0.22 1.09 0.00 -0.43 -4.81 105.19 102.41 3dcx n GLY 61 Ca 0.00 0.86 0.09 0.00 0.00 0.00 0.00 46.02 46.96 3dcx n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dcx h LYS 62 N 7.90 0.00 -6.90 1.61 6.56 -1.99 -3.37 116.57 120.38 3dcx h LYS 62 Ca -0.47 0.00 -0.48 0.00 -1.06 0.00 0.00 60.65 58.63 3dcx h LYS 62 Cb 1.29 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.95 3dcx h LYS 62 CO 0.94 0.25 0.40 -1.59 -2.06 0.00 0.00 179.45 177.39 3dcx s LYS 63 N -3.88 4.43 -0.01 3.15 -2.85 -1.26 -5.02 119.74 114.29 3dcx s LYS 63 Ca -0.01 1.51 -0.06 0.00 -1.00 0.00 0.00 55.97 56.41 3dcx s LYS 63 Cb 0.12 -2.79 0.00 0.00 -2.06 0.00 0.00 37.83 33.10 3dcx s LYS 63 CO 0.65 0.10 0.12 0.08 0.10 0.00 0.00 175.35 176.39 3dcx s VAL 64 N -1.52 0.06 -0.09 1.79 1.01 -1.26 -3.41 120.40 116.98 3dcx s VAL 64 Ca 0.52 -0.51 0.04 0.00 0.00 0.00 0.00 61.98 62.03 3dcx s VAL 64 Cb -0.23 -0.35 -0.00 0.00 0.00 0.00 0.00 36.38 35.80 3dcx s VAL 64 CO 0.29 -0.28 -0.23 -0.55 0.00 0.00 0.00 175.10 174.33 3dcx s SER 65 N -0.96 3.00 -0.45 3.32 0.15 0.06 -4.98 113.70 113.84 3dcx s SER 65 Ca -0.11 -0.54 -0.03 0.00 0.70 0.00 0.00 55.95 55.98 3dcx s SER 65 Cb -0.06 -1.31 0.12 0.00 -1.71 0.00 0.00 66.02 63.06 3dcx s SER 65 CO 0.01 0.16 0.24 -0.31 1.20 0.00 0.00 173.24 174.54 3dcx s TYR 66 N 0.31 3.56 -0.33 3.44 1.51 -1.26 -0.95 117.35 123.63 3dcx s TYR 66 Ca -0.17 -2.50 -0.12 0.00 -1.01 0.00 0.00 57.07 53.26 3dcx s TYR 66 Cb -0.17 -3.21 -0.02 0.00 -0.11 0.00 0.00 41.96 38.45 3dcx s TYR 66 CO 0.08 -0.95 0.23 -1.58 -1.11 0.00 0.00 175.55 172.23 3dcx s HIS 67 N 0.90 3.23 -0.20 2.71 2.46 0.24 -4.93 115.29 119.70 3dcx s HIS 67 Ca 0.10 -0.15 -0.14 0.00 0.47 0.00 0.00 55.06 55.34 3dcx s HIS 67 Cb -0.22 -2.46 -0.04 0.00 -0.13 0.00 0.00 32.58 29.73 3dcx s HIS 67 CO -0.04 -0.32 0.32 -1.12 -2.47 0.00 0.00 174.74 171.11 3dcx s SER 68 N 1.73 6.36 -0.39 9.88 0.01 -1.26 -0.42 113.70 129.61 3dcx s SER 68 Ca 0.06 0.42 0.03 0.00 1.31 0.00 0.00 55.95 57.78 3dcx s SER 68 Cb -0.17 -2.19 0.11 0.00 0.21 0.00 0.00 66.02 63.98 3dcx s SER 68 CO 0.11 -0.00 0.12 -0.69 0.41 0.00 0.00 173.24 173.18 3dcx s VAL 69 N 1.06 2.15 0.56 3.43 1.01 0.39 -4.98 120.40 124.01 3dcx s VAL 69 Ca 0.16 -2.50 -0.21 0.00 0.00 0.00 0.00 61.98 59.43 3dcx s VAL 69 Cb -0.14 -2.56 -0.05 0.00 0.00 0.00 0.00 36.38 33.63 3dcx s VAL 69 CO 0.06 -0.67 1.27 -2.65 0.00 0.00 0.00 175.10 173.11 3dcx n PRO 70 N 3.99 1.47 -0.05 2.72 -0.02 -1.26 -0.90 135.00 140.96 3dcx n PRO 70 Ca 0.04 0.55 0.02 0.00 -2.02 0.00 0.00 63.50 62.08 3dcx n PRO 70 Cb 0.39 -2.48 0.34 0.00 -0.02 0.00 0.00 33.50 31.73 3dcx n PRO 70 CO 0.00 0.00 0.00 1.88 1.98 0.00 0.00 175.50 179.36 3dcx h TYR 71 N 1.17 0.63 -0.49 6.00 0.05 -1.85 -1.02 116.97 121.45 3dcx h TYR 71 Ca -0.50 -0.01 0.14 0.00 0.05 0.00 0.00 58.73 58.41 3dcx h TYR 71 Cb 1.32 -0.20 -0.02 0.00 1.01 0.00 0.00 36.73 38.84 3dcx h TYR 71 CO 0.43 0.46 0.51 -0.22 -1.05 0.00 0.00 178.16 178.29 3dcx h LYS 72 N 0.64 0.00 -0.00 4.88 3.11 -1.87 -1.01 116.57 122.32 3dcx h LYS 72 Ca 0.16 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.00 3dcx h LYS 72 Cb 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.29 3dcx h LYS 72 CO -0.02 0.00 -0.25 0.00 -2.81 0.00 0.00 179.45 176.37 3dcx n ALA 73 N -2.37 2.95 -2.63 5.00 0.00 -0.39 -4.70 120.51 118.37 3dcx n ALA 73 Ca 0.09 -0.23 -0.43 0.00 0.00 0.00 0.00 53.44 52.87 3dcx n ALA 73 Cb 0.71 -1.29 -0.03 0.00 0.00 0.00 0.00 19.45 18.83 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 -2.95 4.23 0.01 0.00 1.01 -0.38 -0.20 121.20 122.91 3dcx s ILE 74 Ca 0.14 0.49 0.11 0.00 0.00 0.00 0.00 60.65 61.39 3dcx s ILE 74 Cb 0.18 -4.63 -0.20 0.00 0.01 0.00 0.00 42.46 37.83 3dcx s ILE 74 CO 0.61 -1.24 0.95 0.71 0.00 0.00 0.00 174.94 175.97 3dcx h THR 75 N 6.07 1.15 -2.64 2.92 1.35 -1.41 -3.48 112.91 116.86 3dcx h THR 75 Ca -0.26 -2.89 0.07 0.00 -0.55 0.00 0.00 66.41 62.78 3dcx h THR 75 Cb 1.07 2.55 -0.12 0.00 -1.73 0.00 0.00 68.15 69.92 3dcx h THR 75 CO 1.13 0.65 0.36 -1.38 -0.25 0.00 0.00 175.52 176.03 3dcx s HIS 76 N -2.69 -0.36 0.13 4.73 0.00 -1.25 -5.05 115.29 110.80 3dcx s HIS 76 Ca -0.02 0.13 -0.19 0.00 -3.00 0.00 0.00 55.06 51.98 3dcx s HIS 76 Cb 0.09 0.59 0.05 0.00 -4.00 0.00 0.00 32.58 29.30 3dcx s HIS 76 CO 0.82 -0.79 0.47 -0.59 -1.00 0.00 0.00 174.74 173.65 3dcx s PHE 77 N -3.48 -0.33 -0.10 0.38 -0.71 -1.26 -1.58 117.98 110.90 3dcx s PHE 77 Ca 0.05 0.07 -0.08 0.00 -1.04 0.00 0.00 56.93 55.93 3dcx s PHE 77 Cb -0.02 0.36 0.03 0.00 -1.21 0.00 0.00 43.02 42.19 3dcx s PHE 77 CO -0.07 -0.75 0.27 -2.00 -1.34 0.00 0.00 175.22 171.34 3dcx s GLU 78 N -3.70 0.29 -0.15 1.99 2.12 -0.04 -4.99 118.70 114.22 3dcx s GLU 78 Ca 0.02 0.43 0.01 0.00 0.36 0.00 0.00 54.97 55.79 3dcx s GLU 78 Cb 0.01 0.08 0.00 0.00 0.26 0.00 0.00 34.13 34.48 3dcx s GLU 78 CO -0.12 -0.07 -0.18 0.08 -0.54 0.00 0.00 175.26 174.43 3dcx s VAL 79 N 0.48 2.41 -0.09 3.70 1.01 -1.26 -0.60 120.40 126.06 3dcx s VAL 79 Ca -0.03 -0.86 0.04 0.00 0.00 0.00 0.00 61.98 61.13 3dcx s VAL 79 Cb -0.04 -2.00 -0.01 0.00 0.00 0.00 0.00 36.38 34.33 3dcx s VAL 79 CO -0.02 0.53 -0.20 -0.70 0.00 0.00 0.00 175.10 174.70 3dcx s GLU 80 N 0.80 2.92 -0.02 2.72 2.12 -0.64 -4.99 118.70 121.61 3dcx s GLU 80 Ca -0.06 -0.82 0.04 0.00 0.36 0.00 0.00 54.97 54.50 3dcx s GLU 80 Cb -0.15 -2.35 -0.03 0.00 0.26 0.00 0.00 34.13 31.85 3dcx s GLU 80 CO -0.01 0.30 -0.14 0.99 -0.54 0.00 0.00 175.26 175.87 3dcx s THR 81 N 0.06 3.10 0.16 -1.70 2.01 -1.26 -1.02 115.64 116.99 3dcx s THR 81 Ca -0.09 -0.85 -0.12 0.00 0.31 0.00 0.00 61.69 60.94 3dcx s THR 81 Cb -0.15 -2.26 0.04 0.00 0.01 0.00 0.00 72.50 70.14 3dcx s THR 81 CO 0.05 0.49 1.66 0.00 -0.69 0.00 0.00 174.62 176.14 3dcx h ALA 82 N 4.99 0.71 -3.74 7.40 0.00 -1.47 -3.47 119.26 123.67 3dcx h ALA 82 Ca -0.47 -0.22 -0.22 0.00 0.00 0.00 0.00 54.91 53.99 3dcx h ALA 82 Cb 1.16 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.69 3dcx h ALA 82 CO 0.50 0.42 -0.11 0.41 0.00 0.00 0.00 179.25 180.48 3dcx n GLY 83 N -0.60 2.24 0.17 0.00 0.00 -0.36 -4.95 105.19 101.70 3dcx n GLY 83 Ca 0.02 -1.56 -0.16 0.00 0.00 0.00 0.00 46.02 44.32 3dcx n GLY 83 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3dcx h THR 84 N 1.84 1.36 0.00 2.61 2.02 -2.00 -3.38 112.91 115.35 3dcx h THR 84 Ca -0.23 -1.86 0.00 0.00 0.77 0.00 0.00 66.41 65.10 3dcx h THR 84 Cb 0.98 2.18 0.00 0.00 -1.74 0.00 0.00 68.15 69.58 3dcx h THR 84 CO 0.31 0.56 -1.23 0.49 0.37 0.00 0.00 175.52 176.01 3dcx n PHE 85 N -4.19 0.00 -2.45 3.16 3.72 -1.26 -5.16 117.46 111.28 3dcx n PHE 85 Ca -0.08 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.09 3dcx n PHE 85 Cb 0.62 -0.18 0.05 0.00 -0.94 0.00 0.00 39.48 39.04 3dcx n PHE 85 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3dcx s ASP 86 N -2.88 5.06 0.44 4.37 -1.08 -1.26 -5.17 116.67 116.15 3dcx s ASP 86 Ca -0.02 0.18 0.00 0.00 -0.52 0.00 0.00 52.55 52.19 3dcx s ASP 86 Cb 0.07 -0.96 0.00 0.00 -1.46 0.00 0.00 42.92 40.57 3dcx s ASP 86 CO 0.42 -1.35 0.00 0.47 0.52 0.00 0.00 175.17 175.23 3dcx n ASP 88 N -2.60 -6.54 -3.71 -0.34 8.00 -1.26 -1.22 116.55 108.87 3dcx n ASP 88 Ca 0.08 1.35 -0.11 0.00 0.71 0.00 0.00 54.79 56.82 3dcx n ASP 88 Cb 0.60 -3.62 -0.06 0.00 -0.02 0.00 0.00 41.12 38.02 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 -4.72 -0.76 -0.07 2.24 0.00 -1.05 -1.77 121.76 115.63 3dcx s ALA 89 Ca 0.00 -0.05 0.03 0.00 0.00 0.00 0.00 51.96 51.94 3dcx s ALA 89 Cb 0.00 0.47 0.01 0.00 0.00 0.00 0.00 23.12 23.60 3dcx s ALA 89 CO 0.00 -0.51 -0.17 -1.21 0.00 0.00 0.00 175.76 173.87 3dcx s GLU 90 N -3.16 2.13 -0.17 0.00 2.02 -0.18 0.37 118.70 119.70 3dcx s GLU 90 Ca -0.01 -0.59 -0.13 0.00 0.02 0.00 0.00 54.97 54.26 3dcx s GLU 90 Cb 0.01 -1.70 -0.05 0.00 0.10 0.00 0.00 34.13 32.49 3dcx s GLU 90 CO -0.07 0.11 0.25 -1.17 0.02 0.00 0.00 175.26 174.40 3dcx s LEU 91 N 0.45 4.23 -0.10 1.80 2.96 0.32 -1.63 118.68 126.72 3dcx s LEU 91 Ca -0.14 0.43 0.02 0.00 -0.22 0.00 0.00 54.13 54.22 3dcx s LEU 91 Cb -0.16 -2.30 -0.01 0.00 0.50 0.00 0.00 46.19 44.22 3dcx s LEU 91 CO 0.05 0.11 -0.17 -0.54 -1.32 0.00 0.00 176.35 174.49 3dcx s LYS 92 N 0.47 3.06 -0.14 1.98 1.02 0.23 -0.60 119.74 125.75 3dcx s LYS 92 Ca 0.14 -0.75 0.00 0.00 0.02 0.00 0.00 55.97 55.39 3dcx s LYS 92 Cb -0.12 -2.47 0.02 0.00 -0.52 0.00 0.00 37.83 34.74 3dcx s LYS 92 CO 0.02 0.31 -0.14 -0.51 -0.92 0.00 0.00 175.35 174.11 3dcx s LEU 93 N 0.08 1.66 -0.20 3.17 1.43 -0.06 -0.86 118.68 123.90 3dcx s LEU 93 Ca -0.07 -0.47 -0.16 0.00 -1.03 0.00 0.00 54.13 52.39 3dcx s LEU 93 Cb -0.15 -1.16 -0.04 0.00 0.03 0.00 0.00 46.19 44.87 3dcx s LEU 93 CO 0.05 -0.05 0.42 0.26 0.23 0.00 0.00 176.35 177.26 3dcx s TRP 94 N 1.46 3.38 -0.16 0.29 0.51 -0.61 -0.69 118.94 123.12 3dcx s TRP 94 Ca 0.04 0.65 -0.07 0.00 -2.12 0.00 0.00 56.10 54.60 3dcx s TRP 94 Cb -0.13 -2.55 -0.04 0.00 -0.81 0.00 0.00 33.47 29.94 3dcx s TRP 94 CO -0.10 -0.02 0.08 0.42 -0.51 0.00 0.00 176.95 176.82 3dcx s ILE 95 N 1.33 4.94 -0.00 2.03 1.01 -1.26 -1.14 121.20 128.11 3dcx s ILE 95 Ca 0.20 0.01 -0.37 0.00 0.00 0.00 0.00 60.65 60.49 3dcx s ILE 95 Cb -0.15 -3.20 -0.16 0.00 0.01 0.00 0.00 42.46 38.96 3dcx s ILE 95 CO 0.08 0.50 1.50 -0.24 0.00 0.00 0.00 174.94 176.78 3dcx n SER 96 N 3.11 2.10 0.00 3.58 2.88 0.72 -1.39 113.62 124.61 3dcx n SER 96 Ca -0.17 1.10 0.00 0.00 -1.33 0.00 0.00 58.87 58.46 3dcx n SER 96 Cb 0.53 -1.22 0.00 0.00 -0.75 0.00 0.00 64.21 62.77 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 3.14 1.68 3.49 0.46 0.00 -1.26 -5.01 105.19 107.69 3dcx n GLY 97 Ca 0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 3dcx n GLY 97 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dcx s GLN 98 N -0.18 3.68 0.12 1.61 -1.52 -0.49 -5.02 119.66 117.86 3dcx s GLN 98 Ca 0.00 -0.48 -0.18 0.00 -1.95 0.00 0.00 55.36 52.75 3dcx s GLN 98 Cb 0.00 -3.47 -0.05 0.00 -0.22 0.00 0.00 33.01 29.27 3dcx s GLN 98 CO 0.00 -0.23 1.68 -0.22 -0.25 0.00 0.00 175.29 176.27 3dcx h LYS 99 N 8.30 0.42 -6.25 2.91 3.64 -1.95 -3.41 116.57 120.22 3dcx h LYS 99 Ca -0.36 -0.06 -0.56 0.00 -1.27 0.00 0.00 60.65 58.39 3dcx h LYS 99 Cb 1.17 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.88 3dcx h LYS 99 CO 0.58 0.41 0.01 -0.51 -2.27 0.00 0.00 179.45 177.66 3dcx s ASP 100 N -5.65 7.10 0.56 4.20 1.01 -1.26 -5.03 116.67 117.59 3dcx s ASP 100 Ca -0.13 1.30 -0.17 0.00 0.71 0.00 0.00 52.55 54.26 3dcx s ASP 100 Cb 0.09 -2.38 -0.05 0.00 1.01 0.00 0.00 42.92 41.58 3dcx s ASP 100 CO 0.72 0.22 1.05 -2.16 0.21 0.00 0.00 175.17 175.21 3dcx s PRO 101 N -0.88 3.47 0.02 8.23 0.04 -1.26 -4.76 135.00 139.85 3dcx s PRO 101 Ca 0.31 1.24 -0.30 0.00 0.04 0.00 0.00 61.00 62.29 3dcx s PRO 101 Cb -0.20 -2.05 -0.04 0.00 0.04 0.00 0.00 34.50 32.25 3dcx s PRO 101 CO 0.20 -0.69 1.16 -1.17 0.04 0.00 0.00 177.00 176.54 3dcx s LEU 102 N -4.21 4.34 -0.22 -3.56 2.96 0.14 -4.86 118.68 113.27 3dcx s LEU 102 Ca 0.65 1.90 -0.01 0.00 -0.22 0.00 0.00 54.13 56.44 3dcx s LEU 102 Cb -0.16 -3.57 0.02 0.00 0.50 0.00 0.00 46.19 42.97 3dcx s LEU 102 CO 0.32 -0.47 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.09 3dcx s VAL 103 N 1.41 2.73 -0.18 1.68 1.01 -1.26 -0.88 120.40 124.91 3dcx s VAL 103 Ca 0.57 -0.87 -0.02 0.00 0.00 0.00 0.00 61.98 61.66 3dcx s VAL 103 Cb -0.27 -2.28 -0.01 0.00 0.00 0.00 0.00 36.38 33.82 3dcx s VAL 103 CO 0.27 0.36 -0.10 -0.54 0.00 0.00 0.00 175.10 175.09 3dcx s LYS 104 N 1.35 3.32 0.05 2.72 -0.14 0.23 -4.98 119.74 122.28 3dcx s LYS 104 Ca 0.03 -0.68 -0.30 0.00 -1.36 0.00 0.00 55.97 53.65 3dcx s LYS 104 Cb -0.15 -2.78 -0.05 0.00 -1.68 0.00 0.00 37.83 33.17 3dcx s LYS 104 CO -0.07 -0.03 1.08 -1.21 -0.76 0.00 0.00 175.35 174.35 3dcx s GLU 105 N 0.99 4.52 -0.51 1.68 2.02 -1.26 -0.52 118.70 125.62 3dcx s GLU 105 Ca -0.01 1.59 -0.05 0.00 0.02 0.00 0.00 54.97 56.52 3dcx s GLU 105 Cb -0.15 -3.39 0.13 0.00 0.10 0.00 0.00 34.13 30.82 3dcx s GLU 105 CO -0.01 -0.10 0.34 -0.51 0.02 0.00 0.00 175.26 174.99 3dcx s LEU 106 N 0.84 5.43 0.00 1.80 1.43 0.16 -4.93 118.68 123.40 3dcx s LEU 106 Ca 0.54 -2.28 0.00 0.00 -1.03 0.00 0.00 54.13 51.36 3dcx s LEU 106 Cb -0.25 -1.90 0.00 0.00 0.03 0.00 0.00 46.19 44.07 3dcx s LEU 106 CO 0.29 -0.53 0.00 0.29 0.23 0.00 0.00 176.35 176.63 3dcx n LYS 107 N 4.31 3.98 -1.67 1.70 5.02 -1.26 -2.54 118.16 127.70 3dcx n LYS 107 Ca 0.00 0.00 -0.45 0.00 -2.02 0.00 0.00 58.31 55.84 3dcx n LYS 107 Cb 0.40 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.38 3dcx n LYS 107 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3dcx n LYS 108 N 0.00 2.02 0.00 1.97 4.01 -1.26 -2.41 118.16 122.49 3dcx n LYS 108 Ca 0.00 0.72 0.00 0.00 -0.51 0.00 0.00 58.31 58.52 3dcx n LYS 108 Cb 0.00 -2.39 0.00 0.00 -0.51 0.00 0.00 35.03 32.13 3dcx n LYS 108 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3dcx n GLY 109 N 2.34 2.12 3.84 0.72 0.00 -1.26 -0.41 105.19 112.55 3dcx n GLY 109 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 3dcx n GLY 109 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3dcx s THR 110 N -2.57 4.74 -0.63 2.61 -4.23 -1.01 -4.65 115.64 109.91 3dcx s THR 110 Ca 0.00 0.95 -0.13 0.00 -1.18 0.00 0.00 61.69 61.33 3dcx s THR 110 Cb 0.00 -3.74 0.16 0.00 1.34 0.00 0.00 72.50 70.26 3dcx s THR 110 CO 0.00 0.12 0.56 -0.62 -0.54 0.00 0.00 174.62 174.15 3dcx s ASP 111 N -1.86 6.25 0.14 3.99 2.15 -1.26 -4.94 116.67 121.13 3dcx s ASP 111 Ca 0.43 -2.18 -0.13 0.00 0.43 0.00 0.00 52.55 51.11 3dcx s ASP 111 Cb -0.14 -2.16 -0.02 0.00 -0.30 0.00 0.00 42.92 40.30 3dcx s ASP 111 CO 0.20 -0.71 1.54 0.58 -0.17 0.00 0.00 175.17 176.61 3dcx h VAL 112 N 5.52 1.27 -0.15 1.11 2.07 -1.96 -1.38 116.25 122.73 3dcx h VAL 112 Ca -0.13 -1.23 0.02 0.00 0.82 0.00 0.00 66.70 66.18 3dcx h VAL 112 Cb 1.07 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 32.00 3dcx h VAL 112 CO 0.90 0.42 0.03 0.58 0.02 0.00 0.00 177.57 179.52 3dcx h VAL 113 N 0.66 0.94 -0.51 2.57 2.07 -2.00 -2.48 116.25 117.50 3dcx h VAL 113 Ca 0.11 -0.03 -0.04 0.00 0.82 0.00 0.00 66.70 67.55 3dcx h VAL 113 Cb 0.66 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 3dcx h VAL 113 CO 0.05 0.02 0.16 1.23 0.02 0.00 0.00 177.57 179.04 3dcx h GLY 114 N 0.10 0.82 0.97 2.17 0.00 -1.92 0.11 103.07 105.32 3dcx h GLY 114 Ca 0.07 -0.44 -0.00 0.00 0.00 0.00 0.00 47.33 46.96 3dcx h GLY 114 CO -0.09 0.41 0.20 -2.22 0.00 0.00 0.00 176.54 174.85 3dcx h ILE 115 N 0.75 1.13 -0.58 2.60 2.04 -1.21 -0.10 117.51 122.14 3dcx h ILE 115 Ca 0.17 -0.33 -0.09 0.00 1.00 0.00 0.00 64.86 65.62 3dcx h ILE 115 Cb 0.22 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 3dcx h ILE 115 CO -0.01 0.13 0.03 1.56 0.00 0.00 0.00 178.15 179.86 3dcx h GLN 116 N 0.45 1.00 -0.40 2.37 4.20 -0.89 -1.05 115.11 120.79 3dcx h GLN 116 Ca 0.13 -0.31 -0.00 0.00 0.06 0.00 0.00 58.65 58.52 3dcx h GLN 116 Cb 0.04 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.70 3dcx h GLN 116 CO -0.02 0.98 0.23 -0.22 -0.67 0.00 0.00 178.83 179.14 3dcx h LYS 117 N 0.89 0.56 -0.03 1.46 1.63 -0.64 -1.25 116.57 119.18 3dcx h LYS 117 Ca 0.17 -0.06 0.01 0.00 -0.85 0.00 0.00 60.65 59.92 3dcx h LYS 117 Cb 0.52 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 32.02 3dcx h LYS 117 CO 0.02 0.43 -0.02 1.15 -3.45 0.00 0.00 179.45 177.59 3dcx h THR 118 N 0.53 0.94 -0.51 1.00 2.02 -0.81 0.96 112.91 117.04 3dcx h THR 118 Ca 0.14 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.33 3dcx h THR 118 Cb 0.03 0.94 -0.03 0.00 -1.74 0.00 0.00 68.15 67.35 3dcx h THR 118 CO -0.03 0.00 0.33 0.40 0.37 0.00 0.00 175.52 176.59 3dcx h ILE 119 N -0.02 1.11 -0.34 3.11 2.04 -1.10 -1.72 117.51 120.59 3dcx h ILE 119 Ca 0.02 -0.23 -0.01 0.00 1.00 0.00 0.00 64.86 65.65 3dcx h ILE 119 Cb 0.05 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 36.50 3dcx h ILE 119 CO -0.04 0.12 0.19 0.00 0.00 0.00 0.00 178.15 178.42 3dcx h ALA 120 N 1.20 0.44 -0.71 1.87 0.00 -0.93 0.12 119.26 121.24 3dcx h ALA 120 Ca 0.19 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.06 3dcx h ALA 120 Cb -0.05 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.56 3dcx h ALA 120 CO -0.06 -0.04 0.44 -0.91 0.00 0.00 0.00 179.25 178.68 3dcx h ASN 121 N 0.43 0.72 0.00 0.00 2.35 -0.63 -3.06 115.58 115.39 3dcx h ASN 121 Ca 0.12 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 3dcx h ASN 121 Cb 0.05 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.27 3dcx h ASN 121 CO -0.02 0.50 -1.70 0.49 -1.65 0.00 0.00 177.43 175.05 3dcx n PHE 122 N -4.67 0.00 -0.03 1.19 3.72 -0.66 -4.54 117.46 112.48 3dcx n PHE 122 Ca 0.08 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.55 3dcx n PHE 122 Cb 0.09 -0.35 -0.17 0.00 -0.94 0.00 0.00 39.48 38.12 3dcx n PHE 122 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3dcx n SER 123 N -2.03 0.01 -0.77 4.37 7.64 0.39 -4.85 113.62 118.39 3dcx n SER 123 Ca -0.02 0.00 0.13 0.00 1.01 0.00 0.00 58.87 60.00 3dcx n SER 123 Cb 0.50 1.79 0.27 0.00 -1.01 0.00 0.00 64.21 65.76 3dcx n SER 123 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21