#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dlx s SER 2 N 0.00 -0.52 0.09 1.61 0.15 -1.26 -5.18 113.70 108.59 2dlx s SER 2 Ca 0.00 0.63 -0.23 0.00 0.70 0.00 0.00 55.95 57.05 2dlx s SER 2 Cb 0.00 0.59 0.06 0.00 -1.71 0.00 0.00 66.02 64.96 2dlx s SER 2 CO 0.00 -0.49 0.56 -0.55 1.20 0.00 0.00 173.24 173.95 2dlx s SER 3 N -0.97 -0.50 0.39 5.45 0.15 -1.26 -5.19 113.70 111.78 2dlx s SER 3 Ca -0.10 0.10 -0.12 0.00 0.70 0.00 0.00 55.95 56.53 2dlx s SER 3 Cb -0.02 0.54 0.05 0.00 -1.71 0.00 0.00 66.02 64.88 2dlx s SER 3 CO 0.07 -0.83 0.73 0.61 1.20 0.00 0.00 173.24 175.02 2dlx n GLY 4 N 0.04 1.22 3.49 9.45 0.00 -1.26 -5.19 105.19 112.94 2dlx n GLY 4 Ca -0.18 -1.34 -0.10 0.00 0.00 0.00 0.00 46.02 44.41 2dlx n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dlx s SER 5 N -3.11 -0.41 0.16 1.61 0.15 -1.26 -5.19 113.70 105.65 2dlx s SER 5 Ca 0.19 0.05 -0.04 0.00 0.70 0.00 0.00 55.95 56.85 2dlx s SER 5 Cb -0.04 0.43 -0.03 0.00 -1.71 0.00 0.00 66.02 64.66 2dlx s SER 5 CO 0.14 -0.67 0.16 -0.55 1.20 0.00 0.00 173.24 173.52 2dlx s SER 6 N -2.40 0.17 0.29 5.45 0.15 -1.26 -5.18 113.70 110.92 2dlx s SER 6 Ca 0.03 -1.15 -0.00 0.00 0.70 0.00 0.00 55.95 55.53 2dlx s SER 6 Cb -0.01 0.37 -0.02 0.00 -1.71 0.00 0.00 66.02 64.65 2dlx s SER 6 CO -0.08 -0.83 0.32 -0.83 1.20 0.00 0.00 173.24 173.02 2dlx s GLY 7 N -3.06 1.62 -0.23 9.45 0.00 -1.26 -5.15 107.32 108.70 2dlx s GLY 7 Ca 0.26 -1.66 -0.04 0.00 0.00 0.00 0.00 44.72 43.27 2dlx s GLY 7 CO 0.05 -1.21 0.13 -0.42 0.00 0.00 0.00 173.10 171.64 2dlx s ILE 8 N -3.59 -0.12 0.26 0.90 1.01 -1.26 -5.13 121.20 113.27 2dlx s ILE 8 Ca 0.35 -0.42 -0.13 0.00 0.00 0.00 0.00 60.65 60.45 2dlx s ILE 8 Cb 0.02 -0.77 0.00 0.00 0.01 0.00 0.00 42.46 41.73 2dlx s ILE 8 CO 0.19 -0.47 0.52 -1.81 0.00 0.00 0.00 174.94 173.37 2dlx s ASP 9 N 2.15 -0.04 -0.21 3.58 1.11 -1.26 -5.12 116.67 116.88 2dlx s ASP 9 Ca 0.06 -0.94 -0.29 0.00 0.18 0.00 0.00 52.55 51.55 2dlx s ASP 9 Cb -0.16 0.62 -0.02 0.00 1.07 0.00 0.00 42.92 44.43 2dlx s ASP 9 CO -0.22 -1.20 1.41 -0.75 1.18 0.00 0.00 175.17 175.59 2dlx s LYS 10 N -3.87 4.01 -0.13 8.23 2.47 -1.26 -4.85 119.74 124.35 2dlx s LYS 10 Ca 0.21 1.59 0.05 0.00 -1.56 0.00 0.00 55.97 56.26 2dlx s LYS 10 Cb -0.01 -3.90 -0.11 0.00 -1.46 0.00 0.00 37.83 32.35 2dlx s LYS 10 CO 0.10 -1.01 -0.06 1.63 0.16 0.00 0.00 175.35 176.17 2dlx n LYS 11 N 7.17 1.13 -1.69 4.03 4.76 -1.26 -5.01 118.16 127.29 2dlx n LYS 11 Ca 0.16 0.05 -0.43 0.00 -2.87 0.00 0.00 58.31 55.21 2dlx n LYS 11 Cb 0.45 -1.28 -0.01 0.00 -1.84 0.00 0.00 35.03 32.34 2dlx n LYS 11 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2dlx n LEU 12 N -2.70 3.37 -3.65 -0.35 4.77 -1.26 -5.00 117.00 112.18 2dlx n LEU 12 Ca -0.22 1.18 -0.06 0.00 -0.03 0.00 0.00 56.01 56.87 2dlx n LEU 12 Cb 0.81 -1.46 -0.08 0.00 -2.33 0.00 0.00 43.42 40.35 2dlx n LEU 12 CO 0.18 -0.48 0.09 0.28 -1.33 0.00 0.00 177.39 176.13 2dlx s THR 13 N -0.64 -0.74 -0.09 -5.08 -1.32 -1.26 -5.16 115.64 101.35 2dlx s THR 13 Ca 0.61 0.12 -0.26 0.00 -1.21 0.00 0.00 61.69 60.95 2dlx s THR 13 Cb -0.60 -0.75 0.06 0.00 -1.51 0.00 0.00 72.50 69.70 2dlx s THR 13 CO 0.57 0.05 0.60 -0.89 -2.21 0.00 0.00 174.62 172.74 2dlx s THR 14 N 2.69 0.01 -0.17 5.08 2.01 -1.26 -5.12 115.64 118.88 2dlx s THR 14 Ca -0.03 -0.09 -0.35 0.00 0.31 0.00 0.00 61.69 61.54 2dlx s THR 14 Cb -0.12 -0.90 -0.12 0.00 0.01 0.00 0.00 72.50 71.37 2dlx s THR 14 CO -0.14 -0.05 1.94 -0.11 -0.69 0.00 0.00 174.62 175.57 2dlx n LEU 15 N 1.39 3.07 -4.70 4.42 7.94 -1.26 -4.87 117.00 122.98 2dlx n LEU 15 Ca -0.18 0.84 -0.42 0.00 -1.11 0.00 0.00 56.01 55.14 2dlx n LEU 15 Cb 0.56 -1.33 -0.03 0.00 0.53 0.00 0.00 43.42 43.16 2dlx n LEU 15 CO 0.20 -0.26 1.34 0.00 -1.11 0.00 0.00 177.39 177.56 2dlx s ALA 16 N 4.85 3.78 -0.03 1.96 0.00 -1.26 -4.94 121.76 126.12 2dlx s ALA 16 Ca 0.97 1.38 -0.01 0.00 0.00 0.00 0.00 51.96 54.30 2dlx s ALA 16 Cb -0.75 -3.69 -0.00 0.00 0.00 0.00 0.00 23.12 18.67 2dlx s ALA 16 CO 0.52 -1.01 -0.03 -0.44 0.00 0.00 0.00 175.76 174.81 2dlx h ASP 17 N 7.68 0.00 -2.77 0.00 3.32 -2.06 -3.47 116.42 119.11 2dlx h ASP 17 Ca -0.43 0.00 -0.65 0.00 0.02 0.00 0.00 57.03 55.97 2dlx h ASP 17 Cb 1.21 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.70 2dlx h ASP 17 CO 0.93 0.15 -0.49 -1.48 -1.72 0.00 0.00 179.24 176.63 2dlx s LEU 18 N -5.22 4.35 -0.02 1.55 -0.00 -1.26 -5.00 118.68 113.08 2dlx s LEU 18 Ca -0.02 0.37 0.01 0.00 -0.00 0.00 0.00 54.13 54.49 2dlx s LEU 18 Cb 0.00 -2.42 -0.02 0.00 -0.00 0.00 0.00 46.19 43.75 2dlx s LEU 18 CO 0.03 0.31 -0.02 2.22 -0.00 0.00 0.00 176.35 178.90 2dlx n PHE 19 N 1.29 0.00 -2.64 3.48 -1.74 -1.26 -5.04 117.46 111.56 2dlx n PHE 19 Ca -0.14 0.00 -0.38 0.00 -0.56 0.00 0.00 57.45 56.37 2dlx n PHE 19 Cb 0.53 -0.10 -0.05 0.00 1.52 0.00 0.00 39.48 41.39 2dlx n PHE 19 CO 0.00 0.00 0.00 1.03 -0.56 0.00 0.00 176.76 177.23 2dlx s ARG 20 N -2.05 4.47 0.68 3.97 0.52 -1.26 -5.03 118.95 120.24 2dlx s ARG 20 Ca -0.03 1.50 -0.14 0.00 -0.52 0.00 0.00 55.73 56.54 2dlx s ARG 20 Cb 0.01 -2.82 0.01 0.00 0.52 0.00 0.00 34.95 32.67 2dlx s ARG 20 CO 0.06 0.14 1.11 -1.25 0.02 0.00 0.00 175.30 175.38 2dlx s PRO 21 N -2.03 2.70 -0.99 3.54 0.04 -1.26 -4.91 135.00 132.10 2dlx s PRO 21 Ca 0.51 1.35 -0.24 0.00 0.04 0.00 0.00 61.00 62.66 2dlx s PRO 21 Cb -0.23 -1.94 -0.06 0.00 0.04 0.00 0.00 34.50 32.31 2dlx s PRO 21 CO 0.29 -1.32 1.94 -1.25 0.04 0.00 0.00 177.00 176.70 2dlx s PRO 22 N -4.24 2.54 0.57 0.56 0.04 -1.26 -4.78 135.00 128.43 2dlx s PRO 22 Ca 0.66 -0.56 0.29 0.00 0.04 0.00 0.00 61.00 61.42 2dlx s PRO 22 Cb -0.20 -5.12 1.48 0.00 0.04 0.00 0.00 34.50 30.71 2dlx s PRO 22 CO 0.44 -3.56 1.93 -0.84 0.04 0.00 0.00 177.00 175.02 2dlx h ILE 23 N 6.93 0.46 -0.82 0.56 3.07 -1.93 -1.28 117.51 124.49 2dlx h ILE 23 Ca 0.13 0.00 0.19 0.00 1.55 0.00 0.00 64.86 66.74 2dlx h ILE 23 Cb 0.98 0.65 -0.12 0.00 -0.27 0.00 0.00 36.82 38.07 2dlx h ILE 23 CO 1.22 0.00 0.28 0.44 -1.05 0.00 0.00 178.15 179.03 2dlx h ASP 24 N 0.00 0.15 0.14 2.16 5.19 -2.03 -1.31 116.42 120.71 2dlx h ASP 24 Ca 0.23 0.15 -0.01 0.00 -0.62 0.00 0.00 57.03 56.79 2dlx h ASP 24 Cb 1.15 0.18 0.00 0.00 0.18 0.00 0.00 39.33 40.83 2dlx h ASP 24 CO -0.00 -0.03 -0.07 -0.07 -3.12 0.00 0.00 179.24 175.95 2dlx h LEU 25 N 0.33 -0.16 -8.64 1.55 3.38 -1.64 -3.41 115.31 106.72 2dlx h LEU 25 Ca 0.49 -0.18 -0.63 0.00 0.09 0.00 0.00 57.88 57.65 2dlx h LEU 25 Cb 0.89 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 2dlx h LEU 25 CO -0.53 0.10 1.47 0.23 0.09 0.00 0.00 178.44 179.79 2dlx n MET 26 N -5.07 1.26 -1.67 1.13 2.81 -0.50 -4.62 117.12 110.46 2dlx n MET 26 Ca -0.09 0.32 -0.29 0.00 -1.81 0.00 0.00 57.70 55.83 2dlx n MET 26 Cb 0.18 -2.70 0.11 0.00 -0.71 0.00 0.00 33.22 30.11 2dlx n MET 26 CO 0.00 0.00 0.00 -1.58 1.51 0.00 0.00 175.97 175.90 2dlx s HIS 27 N 8.01 2.73 0.29 2.03 2.46 -1.24 -4.91 115.29 124.65 2dlx s HIS 27 Ca 1.07 0.86 0.01 0.00 0.47 0.00 0.00 55.06 57.47 2dlx s HIS 27 Cb -0.69 -3.38 0.68 0.00 -0.13 0.00 0.00 32.58 29.06 2dlx s HIS 27 CO 0.44 -2.06 1.45 1.63 -2.47 0.00 0.00 174.74 173.74 2dlx n LYS 28 N -3.55 -0.08 0.00 2.88 4.01 -1.26 -4.82 118.16 115.35 2dlx n LYS 28 Ca 0.07 1.40 0.00 0.00 -0.51 0.00 0.00 58.31 59.27 2dlx n LYS 28 Cb 0.59 -2.21 0.00 0.00 -0.51 0.00 0.00 35.03 32.91 2dlx n LYS 28 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2dlx n GLY 29 N -1.48 0.66 2.84 0.72 0.00 -1.26 -5.13 105.19 101.54 2dlx n GLY 29 Ca 0.21 -0.28 -0.18 0.00 0.00 0.00 0.00 46.02 45.77 2dlx n GLY 29 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dlx s SER 30 N -1.14 0.58 0.07 1.61 0.01 -1.26 -5.04 113.70 108.53 2dlx s SER 30 Ca 0.00 -0.05 -0.18 0.00 1.31 0.00 0.00 55.95 57.02 2dlx s SER 30 Cb 0.00 -0.29 -0.10 0.00 0.21 0.00 0.00 66.02 65.84 2dlx s SER 30 CO 0.00 -0.09 1.44 2.19 0.41 0.00 0.00 173.24 177.19 2dlx h PHE 31 N 7.25 0.55 -0.05 2.43 -0.00 -2.00 -1.40 116.94 123.71 2dlx h PHE 31 Ca -0.41 -0.14 -0.01 0.00 -0.00 0.00 0.00 57.97 57.41 2dlx h PHE 31 Cb 1.14 -0.13 -0.00 0.00 -0.00 0.00 0.00 35.95 36.96 2dlx h PHE 31 CO 0.50 0.75 -0.02 1.49 -0.00 0.00 0.00 178.31 181.04 2dlx h GLU 32 N 0.19 0.11 -0.41 6.09 4.81 -2.02 -3.22 114.58 120.14 2dlx h GLU 32 Ca 0.05 -0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.28 2dlx h GLU 32 Cb 0.60 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.94 2dlx h GLU 32 CO 0.03 0.46 0.18 1.15 -0.73 0.00 0.00 179.01 180.10 2dlx h THR 33 N -0.25 0.93 -0.97 0.32 2.02 -1.98 -2.31 112.91 110.66 2dlx h THR 33 Ca 0.01 -0.13 0.24 0.00 0.77 0.00 0.00 66.41 67.31 2dlx h THR 33 Cb 0.42 0.53 -0.18 0.00 -1.74 0.00 0.00 68.15 67.18 2dlx h THR 33 CO 0.01 0.07 -0.07 0.00 0.37 0.00 0.00 175.52 175.89 2dlx n ALA 34 N -2.33 0.41 -0.04 6.16 0.00 -0.53 0.35 120.51 124.53 2dlx n ALA 34 Ca 0.02 1.05 -0.15 0.00 0.00 0.00 0.00 53.44 54.37 2dlx n ALA 34 Cb 0.13 -0.72 -0.09 0.00 0.00 0.00 0.00 19.45 18.77 2dlx n ALA 34 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2dlx h LYS 35 N 0.00 0.34 0.47 0.00 1.57 -1.52 -2.83 116.57 114.60 2dlx h LYS 35 Ca 0.55 -0.26 -0.02 0.00 -1.87 0.00 0.00 60.65 59.05 2dlx h LYS 35 Cb 1.04 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.39 2dlx h LYS 35 CO -0.95 0.88 -0.36 0.93 -0.57 0.00 0.00 179.45 179.39 2dlx h GLU 36 N -0.13 -0.77 -0.66 3.15 5.08 0.13 -2.94 114.58 118.44 2dlx h GLU 36 Ca -0.01 0.05 0.14 0.00 -1.00 0.00 0.00 59.36 58.54 2dlx h GLU 36 Cb 0.92 0.17 -0.12 0.00 0.50 0.00 0.00 28.75 30.22 2dlx h GLU 36 CO 0.06 -0.51 -0.12 0.00 -1.00 0.00 0.00 179.01 177.43 2dlx n GLY 38 N -1.43 -0.65 0.18 0.00 0.00 -1.07 0.10 105.19 102.33 2dlx n GLY 38 Ca 0.09 0.61 -0.06 0.00 0.00 0.00 0.00 46.02 46.66 2dlx n GLY 38 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2dlx h GLN 39 N 0.00 -0.40 -0.11 1.61 4.20 -0.99 0.71 115.11 120.12 2dlx h GLN 39 Ca 0.69 0.03 0.04 0.00 0.06 0.00 0.00 58.65 59.47 2dlx h GLN 39 Cb 2.12 0.09 -0.04 0.00 0.30 0.00 0.00 27.48 29.94 2dlx h GLN 39 CO -0.44 -0.27 -0.15 0.52 -0.67 0.00 0.00 178.83 177.82 2dlx h MET 40 N -0.74 -0.19 0.00 1.46 2.86 -0.83 -0.26 114.93 117.23 2dlx h MET 40 Ca -0.04 0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 2dlx h MET 40 Cb 0.32 0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.02 2dlx h MET 40 CO 0.07 -0.13 -0.03 1.96 1.06 0.00 0.00 176.91 179.84 2dlx h GLN 41 N -0.20 0.00 -5.25 1.72 7.50 -0.46 -3.46 115.11 114.96 2dlx h GLN 41 Ca 0.09 0.00 -0.33 0.00 0.50 0.00 0.00 58.65 58.91 2dlx h GLN 41 Cb 0.32 0.00 0.13 0.00 0.05 0.00 0.00 27.48 27.99 2dlx h GLN 41 CO -0.23 0.03 -0.63 0.09 -1.50 0.00 0.00 178.83 176.59 2dlx n ASN 42 N -3.21 -4.36 -4.06 1.46 5.03 0.08 -5.02 115.26 105.17 2dlx n ASN 42 Ca -0.01 -0.50 -0.17 0.00 0.87 0.00 0.00 54.58 54.77 2dlx n ASN 42 Cb 0.21 -4.53 -0.13 0.00 -1.02 0.00 0.00 39.78 34.31 2dlx n ASN 42 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 2dlx s LYS 43 N -5.78 0.66 1.38 3.52 1.02 -0.28 -4.65 119.74 115.62 2dlx s LYS 43 Ca 0.31 -0.59 -0.22 0.00 0.02 0.00 0.00 55.97 55.49 2dlx s LYS 43 Cb -0.14 -0.58 0.35 0.00 -0.52 0.00 0.00 37.83 36.95 2dlx s LYS 43 CO 0.64 0.14 0.96 -1.58 -0.92 0.00 0.00 175.35 174.59 2dlx s TRP 44 N -0.81 -0.39 -0.16 3.18 0.52 0.15 -4.47 118.94 116.95 2dlx s TRP 44 Ca -0.02 0.60 0.00 0.00 0.02 0.00 0.00 56.10 56.70 2dlx s TRP 44 Cb -0.07 -2.98 0.03 0.00 -1.15 0.00 0.00 33.47 29.30 2dlx s TRP 44 CO 0.01 -4.81 -0.11 -1.17 0.02 0.00 0.00 176.95 170.89 2dlx s LEU 45 N -7.71 1.76 -0.33 2.99 2.96 -1.19 -1.12 118.68 116.03 2dlx s LEU 45 Ca 0.69 -0.59 0.01 0.00 -0.22 0.00 0.00 54.13 54.01 2dlx s LEU 45 Cb -0.13 -1.10 0.08 0.00 0.50 0.00 0.00 46.19 45.53 2dlx s LEU 45 CO 0.58 -0.11 0.03 -0.32 -1.32 0.00 0.00 176.35 175.21 2dlx s MET 46 N 1.52 2.04 -0.08 1.98 -2.45 -1.25 -1.32 119.30 119.74 2dlx s MET 46 Ca 0.03 -1.57 -0.13 0.00 -1.25 0.00 0.00 55.69 52.77 2dlx s MET 46 Cb -0.14 -3.21 -0.05 0.00 1.25 0.00 0.00 34.83 32.68 2dlx s MET 46 CO -0.09 -0.79 0.32 0.42 1.05 0.00 0.00 175.02 175.92 2dlx s ILE 47 N 1.10 5.22 -0.12 10.11 1.01 -1.06 -3.62 121.20 133.84 2dlx s ILE 47 Ca 0.01 0.62 -0.01 0.00 0.00 0.00 0.00 60.65 61.27 2dlx s ILE 47 Cb -0.20 -3.62 0.03 0.00 0.01 0.00 0.00 42.46 38.68 2dlx s ILE 47 CO -0.04 0.53 -0.05 0.21 0.00 0.00 0.00 174.94 175.59 2dlx s ASN 48 N -0.60 2.20 -0.46 3.58 3.84 -1.02 -3.06 114.94 119.42 2dlx s ASN 48 Ca 0.20 -0.35 -0.20 0.00 0.21 0.00 0.00 52.86 52.72 2dlx s ASN 48 Cb -0.15 -0.75 0.03 0.00 -0.55 0.00 0.00 41.25 39.84 2dlx s ASN 48 CO 0.08 -0.16 0.63 -0.63 -2.79 0.00 0.00 177.10 174.23 2dlx s ILE 49 N 1.76 4.85 -0.33 -5.21 -1.09 -1.11 -3.24 121.20 116.83 2dlx s ILE 49 Ca 0.04 -0.09 -0.22 0.00 -2.23 0.00 0.00 60.65 58.15 2dlx s ILE 49 Cb -0.13 -4.22 -0.00 0.00 -1.58 0.00 0.00 42.46 36.52 2dlx s ILE 49 CO -0.07 -0.65 0.71 -1.10 -1.23 0.00 0.00 174.94 172.59 2dlx s GLN 50 N 2.74 3.84 0.28 2.79 -1.52 -1.26 -3.84 119.66 122.70 2dlx s GLN 50 Ca 0.20 0.33 -0.29 0.00 -1.95 0.00 0.00 55.36 53.65 2dlx s GLN 50 Cb -0.16 -3.76 -0.10 0.00 -0.22 0.00 0.00 33.01 28.77 2dlx s GLN 50 CO 0.17 -0.69 1.33 0.54 -0.25 0.00 0.00 175.29 176.38 2dlx s ASN 51 N 1.71 6.79 0.36 5.90 2.20 -1.26 -4.15 114.94 126.49 2dlx s ASN 51 Ca 0.28 2.60 0.23 0.00 -0.94 0.00 0.00 52.86 55.04 2dlx s ASN 51 Cb -0.14 -2.63 1.28 0.00 -2.00 0.00 0.00 41.25 37.76 2dlx s ASN 51 CO 0.14 -0.56 1.44 0.55 -2.94 0.00 0.00 177.10 175.73 2dlx n VAL 52 N 1.58 -0.33 -1.53 3.54 3.14 -1.26 -4.24 118.33 119.22 2dlx n VAL 52 Ca 0.03 1.79 -0.46 0.00 -2.96 0.00 0.00 64.34 62.74 2dlx n VAL 52 Cb 0.42 -2.91 -0.05 0.00 -1.06 0.00 0.00 33.84 30.23 2dlx n VAL 52 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2dlx n GLN 53 N -4.89 1.54 -0.15 1.45 6.02 -1.26 -4.80 117.38 115.29 2dlx n GLN 53 Ca 0.36 0.40 0.02 0.00 -0.01 0.00 0.00 57.00 57.77 2dlx n GLN 53 Cb 1.27 -2.91 0.08 0.00 1.02 0.00 0.00 30.24 29.69 2dlx n GLN 53 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 2dlx n ASP 54 N 11.14 1.64 -0.10 1.08 2.03 -1.26 -3.46 116.55 127.63 2dlx n ASP 54 Ca 0.35 -2.14 -0.11 0.00 0.52 0.00 0.00 54.79 53.42 2dlx n ASP 54 Cb 0.36 -0.43 -0.13 0.00 -0.72 0.00 0.00 41.12 40.20 2dlx n ASP 54 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 2dlx n PHE 55 N 0.07 0.00 -0.04 -0.67 3.01 -1.26 -4.12 117.46 114.45 2dlx n PHE 55 Ca 0.05 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.50 2dlx n PHE 55 Cb 0.36 -0.88 -0.00 0.00 -0.01 0.00 0.00 39.48 38.94 2dlx n PHE 55 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2dlx h ALA 56 N 0.63 0.00 -0.98 4.37 0.00 -1.93 -3.30 119.26 118.04 2dlx h ALA 56 Ca -0.49 -0.21 0.23 0.00 0.00 0.00 0.00 54.91 54.43 2dlx h ALA 56 Cb 2.01 0.16 -0.09 0.00 0.00 0.00 0.00 17.79 19.88 2dlx h ALA 56 CO -0.00 0.16 0.63 0.00 0.00 0.00 0.00 179.25 180.04 2dlx h GLN 58 N 0.48 0.78 -0.22 0.00 -0.00 -1.73 -0.97 115.11 113.44 2dlx h GLN 58 Ca 0.54 -0.05 0.05 0.00 -0.00 0.00 0.00 58.65 59.19 2dlx h GLN 58 Cb 1.25 -0.18 -0.04 0.00 -0.00 0.00 0.00 27.48 28.51 2dlx h GLN 58 CO -0.27 0.51 -0.06 0.00 -0.00 0.00 0.00 178.83 179.01 2dlx h LEU 60 N -0.01 -0.28 -0.83 0.00 4.07 -1.49 -3.05 115.31 113.71 2dlx h LEU 60 Ca 0.11 -0.25 0.00 0.00 0.08 0.00 0.00 57.88 57.82 2dlx h LEU 60 Cb 0.18 0.07 0.00 0.00 1.08 0.00 0.00 40.66 41.99 2dlx h LEU 60 CO -0.24 0.20 0.67 -1.13 -1.08 0.00 0.00 178.44 176.86 2dlx h ASN 61 N -0.88 0.00 0.60 -0.43 -1.24 -1.13 0.45 115.58 112.94 2dlx h ASN 61 Ca -0.03 0.00 -0.03 0.00 0.71 0.00 0.00 56.30 56.95 2dlx h ASN 61 Cb 0.51 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.56 2dlx h ASN 61 CO 0.06 0.00 -0.33 -0.09 -1.29 0.00 0.00 177.43 175.78 2dlx h ARG 62 N 0.00 -0.82 0.00 6.67 2.43 -1.21 -2.65 114.38 118.80 2dlx h ARG 62 Ca 0.00 0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.19 2dlx h ARG 62 Cb 1.34 0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 31.07 2dlx h ARG 62 CO 0.00 -0.55 -1.14 -0.25 -1.51 0.00 0.00 179.97 176.52 2dlx n ASP 63 N -4.43 3.95 0.00 -3.80 9.92 -0.49 -4.25 116.55 117.45 2dlx n ASP 63 Ca -0.11 -0.01 0.00 0.00 -0.53 0.00 0.00 54.79 54.14 2dlx n ASP 63 Cb 0.35 0.08 0.00 0.00 -0.64 0.00 0.00 41.12 40.91 2dlx n ASP 63 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 2dlx n VAL 64 N -2.47 0.00 -0.02 2.53 0.31 0.15 -1.56 118.33 117.26 2dlx n VAL 64 Ca -0.04 1.49 -0.16 0.00 -0.01 0.00 0.00 64.34 65.62 2dlx n VAL 64 Cb 0.55 -2.18 -0.12 0.00 -0.91 0.00 0.00 33.84 31.18 2dlx n VAL 64 CO 0.00 0.00 0.00 -0.50 -1.32 0.00 0.00 176.83 175.01 2dlx h TRP 65 N 0.00 0.26 -1.48 3.52 -0.00 -1.72 -3.26 115.95 113.27 2dlx h TRP 65 Ca 0.00 -0.15 0.48 0.00 -0.00 0.00 0.00 58.89 59.22 2dlx h TRP 65 Cb 0.00 -0.03 -0.12 0.00 -0.00 0.00 0.00 29.16 29.02 2dlx h TRP 65 CO -0.49 0.99 0.99 0.45 -0.00 0.00 0.00 178.44 180.38 2dlx n SER 66 N -4.47 0.15 -4.51 -3.49 2.88 -1.00 -4.27 113.62 98.91 2dlx n SER 66 Ca -0.10 1.23 -0.44 0.00 -1.33 0.00 0.00 58.87 58.23 2dlx n SER 66 Cb 0.54 -0.61 -0.07 0.00 -0.75 0.00 0.00 64.21 63.33 2dlx n SER 66 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2dlx n ASN 67 N -4.41 2.04 -0.21 -3.46 2.85 -0.60 -4.82 115.26 106.64 2dlx n ASN 67 Ca 0.40 0.06 -0.06 0.00 -0.11 0.00 0.00 54.58 54.86 2dlx n ASN 67 Cb 1.62 -1.35 -0.01 0.00 1.24 0.00 0.00 39.78 41.28 2dlx n ASN 67 CO 0.00 0.00 0.00 -0.08 -2.11 0.00 0.00 177.26 175.07 2dlx h GLU 68 N 14.95 -0.18 -0.98 1.20 4.81 -1.91 0.28 114.58 132.75 2dlx h GLU 68 Ca -0.24 0.01 0.28 0.00 -0.13 0.00 0.00 59.36 59.28 2dlx h GLU 68 Cb 1.29 0.04 -0.14 0.00 0.63 0.00 0.00 28.75 30.57 2dlx h GLU 68 CO 1.11 -0.12 0.52 0.00 -0.73 0.00 0.00 179.01 179.79 2dlx h ALA 69 N 0.85 1.77 -0.14 2.92 0.00 -1.91 0.78 119.26 123.51 2dlx h ALA 69 Ca 0.21 0.17 -0.09 0.00 0.00 0.00 0.00 54.91 55.21 2dlx h ALA 69 Cb 0.56 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 2dlx h ALA 69 CO -0.70 -0.45 -0.31 0.28 0.00 0.00 0.00 179.25 178.07 2dlx h VAL 70 N 0.39 1.27 0.23 0.00 2.07 -0.77 -2.98 116.25 116.46 2dlx h VAL 70 Ca 0.67 -1.30 -0.01 0.00 0.82 0.00 0.00 66.70 66.88 2dlx h VAL 70 Cb 1.41 1.51 0.00 0.00 -1.52 0.00 0.00 31.29 32.69 2dlx h VAL 70 CO -0.57 0.39 -0.11 0.11 0.02 0.00 0.00 177.57 177.42 2dlx h LYS 71 N 0.25 -0.30 0.00 1.57 1.57 0.12 -2.14 116.57 117.64 2dlx h LYS 71 Ca 0.03 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2dlx h LYS 71 Cb 0.68 0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.06 2dlx h LYS 71 CO 0.05 -0.03 0.55 -0.91 -0.57 0.00 0.00 179.45 178.54 2dlx h ASN 72 N -1.01 0.00 0.00 0.86 2.35 -0.95 0.28 115.58 117.10 2dlx h ASN 72 Ca -0.03 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.66 2dlx h ASN 72 Cb 0.41 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.77 2dlx h ASN 72 CO 0.05 0.00 -0.63 0.40 -1.65 0.00 0.00 177.43 175.61 2dlx h ILE 73 N 0.00 0.28 0.00 2.81 2.04 -1.50 -3.05 117.51 118.10 2dlx h ILE 73 Ca 0.00 -1.33 0.00 0.00 1.00 0.00 0.00 64.86 64.53 2dlx h ILE 73 Cb 1.10 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 37.83 2dlx h ILE 73 CO 0.00 0.09 0.13 0.40 0.00 0.00 0.00 178.15 178.78 2dlx h ILE 74 N -1.00 0.00 0.13 -0.67 2.04 -0.53 0.48 117.51 117.96 2dlx h ILE 74 Ca -0.09 0.00 -0.35 0.00 1.00 0.00 0.00 64.86 65.43 2dlx h ILE 74 Cb 0.67 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 2dlx h ILE 74 CO -0.05 0.00 -1.84 0.08 0.00 0.00 0.00 178.15 176.34 2dlx h ARG 75 N 0.00 0.28 0.00 2.37 0.11 -1.04 -2.89 114.38 113.21 2dlx h ARG 75 Ca 0.00 -0.48 0.00 0.00 0.10 0.00 0.00 59.98 59.60 2dlx h ARG 75 Cb 0.27 0.18 0.00 0.00 1.11 0.00 0.00 29.97 31.53 2dlx h ARG 75 CO 0.00 1.17 -0.09 1.49 0.10 0.00 0.00 179.97 182.64 2dlx h GLU 76 N 0.08 0.00 -1.00 0.08 4.81 -1.02 -3.40 114.58 114.12 2dlx h GLU 76 Ca -0.36 0.00 0.16 0.00 -0.13 0.00 0.00 59.36 59.02 2dlx h GLU 76 Cb 2.05 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 31.34 2dlx h GLU 76 CO 0.13 0.00 0.62 0.45 -0.73 0.00 0.00 179.01 179.48 2dlx h HIS 77 N -0.20 1.09 -2.15 0.92 3.86 -0.35 -3.43 115.15 114.90 2dlx h HIS 77 Ca 0.00 0.03 -0.58 0.00 -1.16 0.00 0.00 60.37 58.66 2dlx h HIS 77 Cb 0.09 -0.34 -0.13 0.00 1.06 0.00 0.00 27.41 28.09 2dlx h HIS 77 CO -0.04 0.34 -0.52 -0.06 0.86 0.00 0.00 177.93 178.51 2dlx s PHE 78 N -5.89 1.83 -0.41 2.45 0.40 -1.11 0.31 117.98 115.57 2dlx s PHE 78 Ca -0.11 -1.18 -0.09 0.00 -0.60 0.00 0.00 56.93 54.95 2dlx s PHE 78 Cb 0.24 -1.28 0.07 0.00 0.51 0.00 0.00 43.02 42.56 2dlx s PHE 78 CO 0.80 -0.15 0.25 0.42 0.70 0.00 0.00 175.22 177.25 2dlx s ILE 79 N -3.13 4.24 -0.30 0.64 -1.09 -0.28 -3.52 121.20 117.76 2dlx s ILE 79 Ca 0.21 -1.35 -0.35 0.00 -2.23 0.00 0.00 60.65 56.94 2dlx s ILE 79 Cb 0.03 -3.57 -0.11 0.00 -1.58 0.00 0.00 42.46 37.23 2dlx s ILE 79 CO 0.12 -0.47 2.13 0.33 -1.23 0.00 0.00 174.94 175.82 2dlx n PHE 80 N 4.92 1.75 -3.52 3.97 7.35 -1.10 -3.81 117.46 127.02 2dlx n PHE 80 Ca -0.10 0.21 -0.25 0.00 -0.76 0.00 0.00 57.45 56.55 2dlx n PHE 80 Cb 0.43 -2.57 -0.14 0.00 0.35 0.00 0.00 39.48 37.56 2dlx n PHE 80 CO 0.00 0.00 0.00 -0.46 -0.76 0.00 0.00 176.76 175.54 2dlx s TRP 81 N 6.87 0.09 -0.08 -5.13 -0.00 -1.24 -3.71 118.94 115.74 2dlx s TRP 81 Ca 1.06 -0.54 0.03 0.00 -0.00 0.00 0.00 56.10 56.65 2dlx s TRP 81 Cb -0.79 -0.73 -0.02 0.00 -0.00 0.00 0.00 33.47 31.93 2dlx s TRP 81 CO 0.49 -0.77 -0.16 -1.14 -0.00 0.00 0.00 176.95 175.36 2dlx s GLN 82 N 2.18 2.78 -0.22 5.86 0.74 -1.26 -2.44 119.66 127.29 2dlx s GLN 82 Ca 0.08 -0.74 -0.11 0.00 0.05 0.00 0.00 55.36 54.64 2dlx s GLN 82 Cb -0.16 -2.40 0.08 0.00 1.10 0.00 0.00 33.01 31.63 2dlx s GLN 82 CO -0.29 0.44 0.52 0.14 -0.55 0.00 0.00 175.29 175.55 2dlx s VAL 83 N -0.27 -0.22 0.94 1.34 -7.23 -1.20 -5.03 120.40 108.72 2dlx s VAL 83 Ca 0.01 0.07 -0.11 0.00 -1.81 0.00 0.00 61.98 60.15 2dlx s VAL 83 Cb -0.13 -0.77 0.16 0.00 0.56 0.00 0.00 36.38 36.20 2dlx s VAL 83 CO 0.03 0.03 1.12 -0.31 -0.31 0.00 0.00 175.10 175.65 2dlx s TYR 84 N 1.83 1.72 0.03 2.82 1.51 -1.26 -3.98 117.35 120.02 2dlx s TYR 84 Ca -0.08 1.64 -0.19 0.00 -1.01 0.00 0.00 57.07 57.43 2dlx s TYR 84 Cb -0.08 -3.26 -0.18 0.00 -0.11 0.00 0.00 41.96 38.33 2dlx s TYR 84 CO -0.15 -2.85 1.22 1.12 -1.11 0.00 0.00 175.55 173.78 2dlx h HIS 85 N -1.90 0.60 -0.77 2.71 2.07 -1.90 -3.14 115.15 112.83 2dlx h HIS 85 Ca -0.46 -0.26 0.18 0.00 -2.85 0.00 0.00 60.37 56.97 2dlx h HIS 85 Cb 1.28 -0.10 -0.12 0.00 2.57 0.00 0.00 27.41 31.04 2dlx h HIS 85 CO 0.47 1.01 0.18 0.38 -3.07 0.00 0.00 177.93 176.90 2dlx h ASP 86 N 0.02 -0.01 -2.91 3.10 3.04 -1.92 -2.26 116.42 115.48 2dlx h ASP 86 Ca -0.02 0.16 -0.43 0.00 -3.24 0.00 0.00 57.03 53.49 2dlx h ASP 86 Cb 1.05 0.22 0.22 0.00 -1.04 0.00 0.00 39.33 39.78 2dlx h ASP 86 CO 0.09 -0.07 -0.27 -1.54 -2.04 0.00 0.00 179.24 175.41 2dlx n SER 87 N -5.18 -2.11 0.31 4.15 3.41 -1.23 -4.73 113.62 108.24 2dlx n SER 87 Ca 0.16 -0.23 -0.12 0.00 -0.26 0.00 0.00 58.87 58.42 2dlx n SER 87 Cb 0.51 -1.17 -0.06 0.00 -0.26 0.00 0.00 64.21 63.23 2dlx n SER 87 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2dlx h GLU 88 N -2.66 -0.77 -0.97 4.33 5.08 -1.86 -2.39 114.58 115.35 2dlx h GLU 88 Ca -0.61 0.05 0.17 0.00 -1.00 0.00 0.00 59.36 57.97 2dlx h GLU 88 Cb 1.34 0.17 -0.17 0.00 0.50 0.00 0.00 28.75 30.60 2dlx h GLU 88 CO 0.47 -0.51 -0.32 0.39 -1.00 0.00 0.00 179.01 178.03 2dlx n GLU 89 N -4.41 -0.17 0.19 2.33 4.71 -1.26 -0.73 120.64 121.30 2dlx n GLU 89 Ca -0.10 1.49 -0.15 0.00 -0.01 0.00 0.00 57.16 58.39 2dlx n GLU 89 Cb 0.31 -2.22 -0.07 0.00 -1.01 0.00 0.00 31.44 28.45 2dlx n GLU 89 CO 0.00 0.00 0.00 0.78 0.09 0.00 0.00 177.13 178.00 2dlx h GLY 90 N 0.00 -0.82 -0.59 0.62 0.00 -1.53 -2.28 103.07 98.47 2dlx h GLY 90 Ca 0.38 0.43 0.11 0.00 0.00 0.00 0.00 47.33 48.25 2dlx h GLY 90 CO -0.97 -0.29 -0.40 1.46 0.00 0.00 0.00 176.54 176.34 2dlx h GLN 91 N -0.71 -0.14 -0.26 4.80 1.08 -0.30 -0.54 115.11 119.04 2dlx h GLN 91 Ca -0.01 0.01 0.06 0.00 -1.45 0.00 0.00 58.65 57.26 2dlx h GLN 91 Cb 0.67 0.03 -0.07 0.00 -0.05 0.00 0.00 27.48 28.06 2dlx h GLN 91 CO -0.12 -0.10 -0.28 0.00 -0.95 0.00 0.00 178.83 177.38 2dlx h ARG 92 N -0.15 -0.27 -0.95 1.46 -0.00 -1.15 -1.33 114.38 111.98 2dlx h ARG 92 Ca 0.23 0.02 0.25 0.00 -0.50 0.00 0.00 59.98 59.98 2dlx h ARG 92 Cb 0.56 0.06 -0.17 0.00 0.00 0.00 0.00 29.97 30.42 2dlx h ARG 92 CO -0.76 -0.18 0.00 -0.92 0.00 0.00 0.00 179.97 178.12 2dlx h TYR 93 N -0.28 -0.08 -0.40 3.04 3.20 -0.51 0.48 116.97 122.41 2dlx h TYR 93 Ca 0.14 0.07 0.06 0.00 3.14 0.00 0.00 58.73 62.14 2dlx h TYR 93 Cb 0.50 0.19 -0.05 0.00 1.54 0.00 0.00 36.73 38.91 2dlx h TYR 93 CO -0.43 -0.40 0.08 0.82 -1.64 0.00 0.00 178.16 176.59 2dlx h ILE 94 N 0.03 0.80 0.00 1.81 2.04 -0.91 0.16 117.51 121.44 2dlx h ILE 94 Ca 0.56 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 66.35 2dlx h ILE 94 Cb 1.10 0.57 0.00 0.00 -0.74 0.00 0.00 36.82 37.75 2dlx h ILE 94 CO -0.88 0.04 0.00 0.00 0.00 0.00 0.00 178.15 177.30 2dlx n GLN 95 N -5.09 0.04 0.06 2.37 3.00 0.16 0.13 117.38 118.05 2dlx n GLN 95 Ca 0.03 0.41 -0.03 0.00 -0.01 0.00 0.00 57.00 57.39 2dlx n GLN 95 Cb 0.18 -1.60 -0.01 0.00 0.00 0.00 0.00 30.24 28.81 2dlx n GLN 95 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.06 177.41 2dlx h PHE 96 N 0.00 -0.18 -0.27 1.08 3.04 0.11 -3.38 116.94 117.34 2dlx h PHE 96 Ca 0.00 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 2dlx h PHE 96 Cb 0.15 0.06 0.00 0.00 2.56 0.00 0.00 35.95 38.71 2dlx h PHE 96 CO 0.00 -0.11 0.00 0.66 -2.02 0.00 0.00 178.31 176.84 2dlx n TYR 97 N -3.43 0.84 -3.83 0.41 4.02 -1.17 -4.97 117.16 109.03 2dlx n TYR 97 Ca -0.02 -0.80 -0.25 0.00 -0.01 0.00 0.00 57.90 56.81 2dlx n TYR 97 Cb 0.08 -0.26 0.02 0.00 -0.02 0.00 0.00 39.34 39.16 2dlx n TYR 97 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 2dlx n LYS 98 N -0.32 -4.79 -1.35 -0.72 4.76 0.35 -4.91 118.16 111.19 2dlx n LYS 98 Ca 0.19 0.57 -0.35 0.00 -2.87 0.00 0.00 58.31 55.86 2dlx n LYS 98 Cb 0.80 -5.17 0.10 0.00 -1.84 0.00 0.00 35.03 28.92 2dlx n LYS 98 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 2dlx s LEU 99 N -6.94 3.30 -0.29 -0.35 0.20 -0.96 -4.97 118.68 108.67 2dlx s LEU 99 Ca 0.24 2.44 0.11 0.00 0.69 0.00 0.00 54.13 57.61 2dlx s LEU 99 Cb -0.12 -4.60 0.35 0.00 -0.43 0.00 0.00 46.19 41.39 2dlx s LEU 99 CO 0.83 -2.41 1.45 0.61 -0.29 0.00 0.00 176.35 176.55 2dlx n GLY 100 N 0.59 1.79 3.49 7.98 0.00 -1.26 -4.91 105.19 112.87 2dlx n GLY 100 Ca 0.14 -0.15 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 2dlx n GLY 100 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dlx s ASP 101 N -1.08 -0.56 -0.00 1.61 1.11 -1.26 -5.18 116.67 111.31 2dlx s ASP 101 Ca 0.08 0.36 -0.18 0.00 0.18 0.00 0.00 52.55 52.99 2dlx s ASP 101 Cb 0.38 0.51 0.03 0.00 1.07 0.00 0.00 42.92 44.92 2dlx s ASP 101 CO -0.11 -0.70 0.39 -0.36 1.18 0.00 0.00 175.17 175.57 2dlx s PHE 102 N -2.25 -0.27 0.79 4.23 0.40 -1.26 -4.24 117.98 115.38 2dlx s PHE 102 Ca -0.04 0.37 -0.11 0.00 -0.60 0.00 0.00 56.93 56.55 2dlx s PHE 102 Cb -0.00 0.18 0.07 0.00 0.51 0.00 0.00 43.02 43.77 2dlx s PHE 102 CO -0.01 -0.48 1.09 -1.25 0.70 0.00 0.00 175.22 175.27 2dlx s PRO 103 N -1.69 2.13 0.02 0.24 0.04 -1.26 -5.07 135.00 129.40 2dlx s PRO 103 Ca -0.10 1.12 0.02 0.00 0.04 0.00 0.00 61.00 62.08 2dlx s PRO 103 Cb -0.03 -1.89 -0.01 0.00 0.04 0.00 0.00 34.50 32.61 2dlx s PRO 103 CO 0.03 -1.72 -0.07 -0.47 0.04 0.00 0.00 177.00 174.80 2dlx s TYR 104 N -2.91 0.65 -0.11 0.56 6.14 -1.25 -4.79 117.35 115.63 2dlx s TYR 104 Ca 0.61 -0.26 -0.10 0.00 0.64 0.00 0.00 57.07 57.96 2dlx s TYR 104 Cb -0.17 -0.40 0.03 0.00 0.42 0.00 0.00 41.96 41.84 2dlx s TYR 104 CO 0.56 -0.03 0.30 0.08 0.64 0.00 0.00 175.55 177.10 2dlx s VAL 105 N -0.64 -0.01 0.28 3.14 1.01 -0.81 -2.76 120.40 120.61 2dlx s VAL 105 Ca -0.02 0.02 -0.18 0.00 0.00 0.00 0.00 61.98 61.80 2dlx s VAL 105 Cb -0.05 -0.43 0.02 0.00 0.00 0.00 0.00 36.38 35.91 2dlx s VAL 105 CO 0.00 0.01 0.65 -0.94 0.00 0.00 0.00 175.10 174.82 2dlx s SER 106 N 0.32 -0.17 -0.02 3.32 1.04 -1.17 -1.39 113.70 115.63 2dlx s SER 106 Ca -0.01 -0.75 0.05 0.00 0.48 0.00 0.00 55.95 55.71 2dlx s SER 106 Cb -0.03 0.70 -0.01 0.00 0.10 0.00 0.00 66.02 66.78 2dlx s SER 106 CO -0.01 -1.31 -0.15 -0.63 0.98 0.00 0.00 173.24 172.11 2dlx s ILE 107 N -3.82 1.21 0.32 -1.02 1.01 -1.24 -2.57 121.20 115.09 2dlx s ILE 107 Ca 0.15 -0.64 0.10 0.00 0.00 0.00 0.00 60.65 60.26 2dlx s ILE 107 Cb -0.04 -1.02 -0.06 0.00 0.01 0.00 0.00 42.46 41.35 2dlx s ILE 107 CO 0.08 0.35 -0.13 -0.76 0.00 0.00 0.00 174.94 174.48 2dlx s LEU 108 N -0.27 2.68 -0.17 2.97 1.43 -0.43 0.06 118.68 124.94 2dlx s LEU 108 Ca 0.04 -1.15 -0.08 0.00 -1.03 0.00 0.00 54.13 51.91 2dlx s LEU 108 Cb -0.07 -1.01 -0.04 0.00 0.03 0.00 0.00 46.19 45.10 2dlx s LEU 108 CO -0.00 -0.14 0.10 -0.62 0.23 0.00 0.00 176.35 175.92 2dlx s ASP 109 N -3.57 5.98 0.04 2.29 -1.08 -1.20 -3.19 116.67 115.93 2dlx s ASP 109 Ca 0.31 0.21 0.15 0.00 -0.52 0.00 0.00 52.55 52.71 2dlx s ASP 109 Cb 0.00 -2.01 0.66 0.00 -1.46 0.00 0.00 42.92 40.11 2dlx s ASP 109 CO 0.16 0.23 1.49 -0.81 0.52 0.00 0.00 175.17 176.75 2dlx n PRO 110 N 3.20 0.03 -0.11 4.34 -0.04 -1.26 0.13 135.00 141.29 2dlx n PRO 110 Ca -0.17 0.28 -0.22 0.00 -0.04 0.00 0.00 63.50 63.35 2dlx n PRO 110 Cb 0.53 -1.56 -0.09 0.00 -0.04 0.00 0.00 33.50 32.34 2dlx n PRO 110 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2dlx n ARG 111 N -1.61 0.56 -0.11 0.54 1.74 -1.26 -4.74 116.66 111.78 2dlx n ARG 111 Ca 0.03 0.43 -0.21 0.00 -0.77 0.00 0.00 57.85 57.32 2dlx n ARG 111 Cb 0.17 -1.62 -0.12 0.00 -1.02 0.00 0.00 32.46 29.87 2dlx n ARG 111 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2dlx n THR 112 N -4.38 1.55 -2.00 0.55 -2.24 -1.21 -5.03 114.28 101.51 2dlx n THR 112 Ca -0.37 -0.51 0.00 0.00 -2.27 0.00 0.00 64.05 60.90 2dlx n THR 112 Cb 0.71 -1.61 0.00 0.00 -2.10 0.00 0.00 70.33 67.33 2dlx n THR 112 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2dlx n GLY 113 N 1.94 0.85 3.83 3.38 0.00 0.36 -4.96 105.19 110.58 2dlx n GLY 113 Ca -0.45 -0.64 -0.24 0.00 0.00 0.00 0.00 46.02 44.69 2dlx n GLY 113 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2dlx s GLN 114 N -4.04 2.35 -0.44 1.61 -2.07 -1.26 -4.77 119.66 111.04 2dlx s GLN 114 Ca 0.00 -1.77 -0.28 0.00 -1.82 0.00 0.00 55.36 51.49 2dlx s GLN 114 Cb 0.00 -2.16 0.00 0.00 -1.09 0.00 0.00 33.01 29.76 2dlx s GLN 114 CO 0.00 -0.26 1.51 0.21 -1.32 0.00 0.00 175.29 175.43 2dlx s LYS 115 N -4.08 3.42 -0.10 9.60 2.20 -1.26 -3.27 119.74 126.25 2dlx s LYS 115 Ca 0.42 0.92 -0.18 0.00 -0.36 0.00 0.00 55.97 56.77 2dlx s LYS 115 Cb -0.00 -4.10 -0.15 0.00 -1.51 0.00 0.00 37.83 32.07 2dlx s LYS 115 CO 0.24 -1.76 0.57 -0.07 -0.36 0.00 0.00 175.35 173.97 2dlx h LEU 116 N 12.90 -0.06 -8.85 5.43 3.38 -0.73 -3.49 115.31 123.89 2dlx h LEU 116 Ca -0.28 -0.50 -0.36 0.00 0.09 0.00 0.00 57.88 56.83 2dlx h LEU 116 Cb 1.12 0.01 -0.14 0.00 0.09 0.00 0.00 40.66 41.74 2dlx h LEU 116 CO 1.10 0.65 -0.58 0.68 0.09 0.00 0.00 178.44 180.38 2dlx s VAL 117 N -2.39 0.27 -0.05 1.22 -7.23 -1.23 -4.99 120.40 105.99 2dlx s VAL 117 Ca -0.11 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.03 2dlx s VAL 117 Cb -0.01 -2.54 0.04 0.00 0.56 0.00 0.00 36.38 34.43 2dlx s VAL 117 CO 0.41 0.00 0.09 -1.61 -0.31 0.00 0.00 175.10 173.69 2dlx s GLU 118 N -3.92 -0.04 -0.06 4.82 8.01 -1.26 -3.67 118.70 122.58 2dlx s GLU 118 Ca 0.37 0.43 0.01 0.00 0.01 0.00 0.00 54.97 55.80 2dlx s GLU 118 Cb 0.06 -0.43 0.02 0.00 -4.31 0.00 0.00 34.13 29.47 2dlx s GLU 118 CO 0.16 -0.32 -0.07 -1.58 0.01 0.00 0.00 175.26 173.47 2dlx s TRP 119 N 2.17 1.00 -0.22 1.61 0.51 -0.48 -5.04 118.94 118.49 2dlx s TRP 119 Ca 0.04 -0.34 -0.16 0.00 -2.12 0.00 0.00 56.10 53.52 2dlx s TRP 119 Cb -0.12 -0.83 -0.10 0.00 -0.81 0.00 0.00 33.47 31.61 2dlx s TRP 119 CO -0.04 -0.25 -0.24 0.72 -0.51 0.00 0.00 176.95 176.64 2dlx n HIS 120 N 4.11 0.30 -4.04 -1.98 8.25 -1.26 -1.93 115.22 118.66 2dlx n HIS 120 Ca -0.22 0.13 -0.32 0.00 -0.26 0.00 0.00 57.72 57.05 2dlx n HIS 120 Cb 0.51 -0.83 -0.15 0.00 1.12 0.00 0.00 29.99 30.64 2dlx n HIS 120 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 2dlx s GLN 121 N -2.57 2.06 -0.04 -0.41 0.74 -1.26 -4.56 119.66 113.62 2dlx s GLN 121 Ca -0.31 -1.36 0.01 0.00 0.05 0.00 0.00 55.36 53.75 2dlx s GLN 121 Cb 0.08 -2.88 -0.03 0.00 1.10 0.00 0.00 33.01 31.28 2dlx s GLN 121 CO 0.45 -0.62 -0.02 -0.51 -0.55 0.00 0.00 175.29 174.04 2dlx s LEU 122 N 1.12 3.42 0.41 3.68 1.43 -1.26 -4.96 118.68 122.52 2dlx s LEU 122 Ca -0.06 0.01 0.04 0.00 -1.03 0.00 0.00 54.13 53.09 2dlx s LEU 122 Cb -0.20 -1.87 -0.05 0.00 0.03 0.00 0.00 46.19 44.10 2dlx s LEU 122 CO -0.06 0.32 0.04 -0.62 0.23 0.00 0.00 176.35 176.26 2dlx s ASP 123 N -1.21 3.42 0.14 2.29 2.15 -1.26 -4.85 116.67 117.34 2dlx s ASP 123 Ca 0.16 -1.48 -0.19 0.00 0.43 0.00 0.00 52.55 51.47 2dlx s ASP 123 Cb -0.11 0.03 -0.00 0.00 -0.30 0.00 0.00 42.92 42.53 2dlx s ASP 123 CO 0.06 -0.65 1.70 0.58 -0.17 0.00 0.00 175.17 176.69 2dlx h VAL 124 N 1.76 0.79 0.04 1.11 2.07 -1.89 0.74 116.25 120.85 2dlx h VAL 124 Ca -0.42 -0.01 -0.00 0.00 0.82 0.00 0.00 66.70 67.09 2dlx h VAL 124 Cb 1.26 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 31.79 2dlx h VAL 124 CO 0.73 0.00 -0.02 -1.28 0.02 0.00 0.00 177.57 177.03 2dlx h SER 125 N 0.03 -0.04 0.69 0.57 0.87 -1.99 -3.11 113.55 110.57 2dlx h SER 125 Ca 0.11 -0.64 -0.03 0.00 -1.23 0.00 0.00 61.79 60.01 2dlx h SER 125 Cb 0.17 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 2dlx h SER 125 CO -0.23 0.67 -0.47 0.28 -0.53 0.00 0.00 176.83 176.55 2dlx h SER 126 N -0.81 -1.21 -0.15 6.23 0.02 -1.94 -2.19 113.55 113.48 2dlx h SER 126 Ca -0.01 0.08 0.02 0.00 -0.84 0.00 0.00 61.79 61.03 2dlx h SER 126 Cb 0.68 0.37 -0.02 0.00 0.14 0.00 0.00 62.40 63.56 2dlx h SER 126 CO 0.01 -0.70 -0.12 0.15 -1.14 0.00 0.00 176.83 175.03 2dlx h PHE 127 N -1.10 -0.38 -0.95 3.45 3.04 0.34 0.22 116.94 121.56 2dlx h PHE 127 Ca -0.09 0.02 0.14 0.00 3.98 0.00 0.00 57.97 62.03 2dlx h PHE 127 Cb 0.90 0.19 -0.15 0.00 2.56 0.00 0.00 35.95 39.44 2dlx h PHE 127 CO -0.13 -0.09 -0.40 -0.07 -2.02 0.00 0.00 178.31 175.60 2dlx h LEU 128 N -0.04 -1.46 -0.23 0.59 3.38 -1.56 0.29 115.31 116.29 2dlx h LEU 128 Ca 0.03 0.30 0.05 0.00 0.09 0.00 0.00 57.88 58.35 2dlx h LEU 128 Cb 0.11 0.75 -0.05 0.00 0.09 0.00 0.00 40.66 41.55 2dlx h LEU 128 CO -0.17 -0.29 -0.12 -0.78 0.09 0.00 0.00 178.44 177.18 2dlx h ASP 129 N -0.02 -0.39 -0.12 -0.43 3.58 -0.55 0.41 116.42 118.90 2dlx h ASP 129 Ca 0.32 0.09 0.04 0.00 0.42 0.00 0.00 57.03 57.90 2dlx h ASP 129 Cb 0.58 0.21 -0.04 0.00 1.72 0.00 0.00 39.33 41.81 2dlx h ASP 129 CO -0.95 -0.15 -0.12 1.56 -2.88 0.00 0.00 179.24 176.70 2dlx h GLN 130 N -0.09 -0.13 0.49 0.28 1.08 0.26 0.13 115.11 117.13 2dlx h GLN 130 Ca 0.12 0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.31 2dlx h GLN 130 Cb 0.28 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.74 2dlx h GLN 130 CO -0.29 -0.09 -0.24 0.28 -0.95 0.00 0.00 178.83 177.55 2dlx h VAL 131 N -0.14 0.00 -0.90 -0.54 2.07 -0.29 0.46 116.25 116.91 2dlx h VAL 131 Ca 0.08 -0.09 0.23 0.00 0.82 0.00 0.00 66.70 67.74 2dlx h VAL 131 Cb 0.26 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 29.87 2dlx h VAL 131 CO -0.21 0.00 0.01 0.71 0.02 0.00 0.00 177.57 178.10 2dlx h THR 132 N -0.75 0.15 -0.22 2.57 1.35 -0.19 0.26 112.91 116.09 2dlx h THR 132 Ca -0.07 -0.02 -0.20 0.00 -0.55 0.00 0.00 66.41 65.57 2dlx h THR 132 Cb 0.51 0.09 0.01 0.00 -1.73 0.00 0.00 68.15 67.02 2dlx h THR 132 CO 0.11 0.01 -0.66 1.23 -0.25 0.00 0.00 175.52 175.96 2dlx h GLY 133 N 0.06 0.91 0.84 5.82 0.00 -0.94 -3.22 103.07 106.54 2dlx h GLY 133 Ca 0.52 -1.18 0.02 0.00 0.00 0.00 0.00 47.33 46.69 2dlx h GLY 133 CO -0.82 1.05 0.09 -2.75 0.00 0.00 0.00 176.54 174.12 2dlx h PHE 134 N 0.59 0.17 -0.89 5.60 3.57 0.31 0.15 116.94 126.45 2dlx h PHE 134 Ca -0.02 0.01 0.16 0.00 3.53 0.00 0.00 57.97 61.65 2dlx h PHE 134 Cb 1.28 -0.04 -0.10 0.00 2.79 0.00 0.00 35.95 39.88 2dlx h PHE 134 CO 0.08 0.09 0.47 -0.07 -2.23 0.00 0.00 178.31 176.65 2dlx h LEU 135 N 0.21 0.57 0.00 0.59 3.38 -0.82 -2.00 115.31 117.25 2dlx h LEU 135 Ca 0.10 0.10 -0.16 0.00 0.09 0.00 0.00 57.88 58.01 2dlx h LEU 135 Cb 0.06 0.01 0.01 0.00 0.09 0.00 0.00 40.66 40.83 2dlx h LEU 135 CO -0.09 0.22 -0.63 1.23 0.09 0.00 0.00 178.44 179.25 2dlx h GLY 136 N 0.64 0.47 -0.43 0.83 0.00 -1.43 0.40 103.07 103.55 2dlx h GLY 136 Ca 0.50 -0.83 0.09 0.00 0.00 0.00 0.00 47.33 47.08 2dlx h GLY 136 CO -0.38 0.74 -0.41 -2.09 0.00 0.00 0.00 176.54 174.40 2dlx h GLU 137 N -0.09 -0.23 0.00 4.80 4.81 -0.00 -3.24 114.58 120.63 2dlx h GLU 137 Ca -0.08 0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.03 2dlx h GLU 137 Cb 1.35 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.76 2dlx h GLU 137 CO 0.12 -0.15 -0.96 0.72 -0.73 0.00 0.00 179.01 178.02 2dlx n HIS 138 N -5.41 0.95 0.00 0.92 8.25 -0.93 -5.10 115.22 113.90 2dlx n HIS 138 Ca 0.02 0.41 0.00 0.00 -0.26 0.00 0.00 57.72 57.89 2dlx n HIS 138 Cb 0.35 -0.95 0.00 0.00 1.12 0.00 0.00 29.99 30.51 2dlx n HIS 138 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2dlx n GLY 139 N 1.51 3.01 3.81 -1.41 0.00 0.14 -5.07 105.19 107.18 2dlx n GLY 139 Ca -0.22 -1.94 -0.32 0.00 0.00 0.00 0.00 46.02 43.54 2dlx n GLY 139 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2dlx s GLN 140 N -3.07 3.12 1.23 1.61 -0.44 -1.25 -4.94 119.66 115.91 2dlx s GLN 140 Ca 0.00 1.05 -0.15 0.00 -2.50 0.00 0.00 55.36 53.76 2dlx s GLN 140 Cb 0.00 -2.01 0.31 0.00 -1.64 0.00 0.00 33.01 29.67 2dlx s GLN 140 CO 0.00 -0.96 1.00 -0.51 0.50 0.00 0.00 175.29 175.33 2dlx s LEU 141 N -5.09 0.38 0.23 3.68 1.02 -1.26 -4.88 118.68 112.75 2dlx s LEU 141 Ca 0.60 1.37 -0.09 0.00 0.02 0.00 0.00 54.13 56.03 2dlx s LEU 141 Cb -0.15 -3.16 0.35 0.00 0.02 0.00 0.00 46.19 43.25 2dlx s LEU 141 CO 0.47 -4.49 1.65 -2.24 0.02 0.00 0.00 176.35 171.77 2dlx h ASP 142 N -2.82 -0.29 -2.30 2.29 2.03 -1.96 -3.42 116.42 109.94 2dlx h ASP 142 Ca -0.60 0.17 -0.54 0.00 -0.73 0.00 0.00 57.03 55.33 2dlx h ASP 142 Cb 1.34 0.30 0.23 0.00 -0.83 0.00 0.00 39.33 40.37 2dlx h ASP 142 CO 0.47 -0.13 -1.58 0.61 -1.03 0.00 0.00 179.24 177.57 2dlx n GLY 143 N -1.39 -3.95 3.74 7.15 0.00 -1.26 -4.94 105.19 104.54 2dlx n GLY 143 Ca 0.11 -0.76 -0.29 0.00 0.00 0.00 0.00 46.02 45.07 2dlx n GLY 143 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2dlx s LEU 144 N 5.72 1.69 -0.05 0.99 0.05 -1.26 -5.04 118.68 120.77 2dlx s LEU 144 Ca 0.44 0.78 -0.27 0.00 0.05 0.00 0.00 54.13 55.13 2dlx s LEU 144 Cb -0.18 -2.87 0.06 0.00 -2.05 0.00 0.00 46.19 41.16 2dlx s LEU 144 CO 0.78 -3.12 0.59 -0.94 -0.55 0.00 0.00 176.35 173.12 2dlx s SER 145 N -4.06 -0.55 0.20 1.48 1.04 -1.26 -5.01 113.70 105.55 2dlx s SER 145 Ca 0.68 0.59 0.07 0.00 0.48 0.00 0.00 55.95 57.77 2dlx s SER 145 Cb -0.12 0.52 -0.05 0.00 0.10 0.00 0.00 66.02 66.48 2dlx s SER 145 CO 0.55 -0.55 -0.13 -0.44 0.98 0.00 0.00 173.24 173.65 2dlx s SER 146 N -1.14 2.42 -0.35 7.02 0.01 -1.26 -5.12 113.70 115.28 2dlx s SER 146 Ca -0.11 -1.03 -0.18 0.00 1.31 0.00 0.00 55.95 55.94 2dlx s SER 146 Cb -0.02 -0.11 -0.00 0.00 0.21 0.00 0.00 66.02 66.10 2dlx s SER 146 CO 0.08 -0.22 0.49 -0.55 0.41 0.00 0.00 173.24 173.45 2dlx s SER 147 N -3.29 6.29 -0.18 2.44 0.15 -1.26 -5.05 113.70 112.80 2dlx s SER 147 Ca 0.22 -0.07 -0.03 0.00 0.70 0.00 0.00 55.95 56.77 2dlx s SER 147 Cb 0.00 -2.25 -0.01 0.00 -1.71 0.00 0.00 66.02 62.04 2dlx s SER 147 CO 0.06 -0.45 -0.07 -0.55 1.20 0.00 0.00 173.24 173.42 2dlx s SER 148 N 1.75 4.30 0.00 5.45 0.15 -1.26 -5.05 113.70 119.05 2dlx s SER 148 Ca 0.17 -0.32 0.00 0.00 0.70 0.00 0.00 55.95 56.51 2dlx s SER 148 Cb -0.16 -1.70 0.00 0.00 -1.71 0.00 0.00 66.02 62.45 2dlx s SER 148 CO 0.13 0.08 0.00 0.61 1.20 0.00 0.00 173.24 175.26 2dlx n GLY 149 N 4.10 4.40 3.77 9.45 0.00 -1.26 -5.12 105.19 120.53 2dlx n GLY 149 Ca -0.18 -1.45 -0.36 0.00 0.00 0.00 0.00 46.02 44.03 2dlx n GLY 149 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dlx s PRO 150 N -3.35 3.57 0.20 1.61 0.04 -1.26 -4.92 135.00 130.89 2dlx s PRO 150 Ca 0.00 1.70 -0.17 0.00 0.04 0.00 0.00 61.00 62.57 2dlx s PRO 150 Cb 0.00 -2.22 0.19 0.00 0.04 0.00 0.00 34.50 32.51 2dlx s PRO 150 CO 0.00 -0.69 1.39 0.45 0.04 0.00 0.00 177.00 178.19 2dlx n SER 151 N -0.86 -0.61 0.20 6.66 2.88 -1.26 -0.70 113.62 119.92 2dlx n SER 151 Ca 0.09 1.57 -0.14 0.00 -1.33 0.00 0.00 58.87 59.06 2dlx n SER 151 Cb 0.49 -0.35 -0.08 0.00 -0.75 0.00 0.00 64.21 63.53 2dlx n SER 151 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 2dlx h SER 152 N 0.00 -0.41 0.00 -3.46 4.64 -2.05 -3.55 113.55 108.71 2dlx h SER 152 Ca 0.30 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 2dlx h SER 152 Cb 0.52 0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 2dlx h SER 152 CO -0.89 -0.12 0.00 0.61 -0.87 0.00 0.00 176.83 175.56