#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dlx h SER 2 N 0.00 0.00 -2.19 1.61 0.87 -2.09 -3.48 113.55 108.27 2dlx h SER 2 Ca 0.00 0.00 -0.45 0.00 -1.23 0.00 0.00 61.79 60.11 2dlx h SER 2 Cb 0.00 0.00 0.06 0.00 -0.44 0.00 0.00 62.40 62.02 2dlx h SER 2 CO 0.00 0.65 0.01 -0.94 -0.53 0.00 0.00 176.83 176.02 2dlx s SER 3 N -5.62 4.89 0.00 6.23 1.04 -1.26 -5.13 113.70 113.85 2dlx s SER 3 Ca -0.09 -0.24 -0.02 0.00 0.48 0.00 0.00 55.95 56.08 2dlx s SER 3 Cb 0.01 -0.42 -0.01 0.00 0.10 0.00 0.00 66.02 65.71 2dlx s SER 3 CO 0.13 -1.45 0.03 -0.83 0.98 0.00 0.00 173.24 172.11 2dlx s GLY 4 N -4.57 0.11 0.11 7.32 0.00 -1.26 -5.16 107.32 103.86 2dlx s GLY 4 Ca 0.61 -0.26 0.07 0.00 0.00 0.00 0.00 44.72 45.14 2dlx s GLY 4 CO 0.41 -0.33 -0.18 -0.45 0.00 0.00 0.00 173.10 172.54 2dlx s SER 5 N -0.98 2.31 0.40 1.64 0.15 -1.26 -5.16 113.70 110.80 2dlx s SER 5 Ca -0.11 -0.70 0.08 0.00 0.70 0.00 0.00 55.95 55.91 2dlx s SER 5 Cb -0.06 -0.11 -0.08 0.00 -1.71 0.00 0.00 66.02 64.06 2dlx s SER 5 CO -0.00 -0.00 -0.00 -0.44 1.20 0.00 0.00 173.24 173.99 2dlx s SER 6 N -2.02 3.88 0.85 5.45 0.01 -1.26 -4.97 113.70 115.63 2dlx s SER 6 Ca 0.06 -1.32 0.00 0.00 1.31 0.00 0.00 55.95 56.00 2dlx s SER 6 Cb -0.09 -0.40 0.00 0.00 0.21 0.00 0.00 66.02 65.75 2dlx s SER 6 CO 0.04 -0.40 0.00 0.61 0.41 0.00 0.00 173.24 173.90 2dlx n GLY 7 N -0.94 1.72 3.89 3.44 0.00 -1.26 -4.79 105.19 107.25 2dlx n GLY 7 Ca -0.05 -0.18 -0.33 0.00 0.00 0.00 0.00 46.02 45.46 2dlx n GLY 7 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2dlx s ILE 8 N 0.00 5.37 0.36 -0.61 1.10 -1.26 -5.11 121.20 121.05 2dlx s ILE 8 Ca 0.00 -0.18 0.04 0.00 -0.51 0.00 0.00 60.65 60.01 2dlx s ILE 8 Cb 0.00 -3.51 -0.01 0.00 0.15 0.00 0.00 42.46 39.09 2dlx s ILE 8 CO 0.00 0.33 0.52 1.51 -2.11 0.00 0.00 174.94 175.19 2dlx s ASP 9 N -1.92 5.98 0.10 4.50 -4.77 -1.26 -5.04 116.67 114.26 2dlx s ASP 9 Ca 0.27 -0.01 0.08 0.00 -3.30 0.00 0.00 52.55 49.59 2dlx s ASP 9 Cb -0.13 -1.40 -0.03 0.00 -1.09 0.00 0.00 42.92 40.27 2dlx s ASP 9 CO 0.18 -0.47 -0.20 -0.54 0.70 0.00 0.00 175.17 174.85 2dlx s LYS 10 N -4.27 1.09 -0.35 2.11 1.02 -1.26 -5.12 119.74 112.96 2dlx s LYS 10 Ca 0.45 -1.16 -0.12 0.00 0.02 0.00 0.00 55.97 55.16 2dlx s LYS 10 Cb -0.10 -1.29 -0.00 0.00 -0.52 0.00 0.00 37.83 35.92 2dlx s LYS 10 CO 0.33 0.30 0.22 -1.59 -0.92 0.00 0.00 175.35 173.69 2dlx s LYS 11 N -1.98 3.26 -0.23 1.68 -2.85 -1.26 -4.94 119.74 113.42 2dlx s LYS 11 Ca 0.06 -0.79 -0.14 0.00 -1.00 0.00 0.00 55.97 54.10 2dlx s LYS 11 Cb -0.09 -3.77 -0.17 0.00 -2.06 0.00 0.00 37.83 31.74 2dlx s LYS 11 CO 0.04 -0.53 -0.03 1.28 0.10 0.00 0.00 175.35 176.21 2dlx n LEU 12 N 5.07 2.15 -2.67 2.77 4.32 -1.26 -5.02 117.00 122.36 2dlx n LEU 12 Ca -0.13 0.29 -0.16 0.00 -0.02 0.00 0.00 56.01 55.99 2dlx n LEU 12 Cb 0.49 -0.93 0.06 0.00 -1.62 0.00 0.00 43.42 41.41 2dlx n LEU 12 CO 0.37 0.55 0.16 0.41 -1.22 0.00 0.00 177.39 177.66 2dlx n THR 13 N -4.08 -2.33 -3.65 -5.08 -1.04 -1.26 -5.02 114.28 91.82 2dlx n THR 13 Ca -0.42 -0.04 -0.06 0.00 -2.04 0.00 0.00 64.05 61.49 2dlx n THR 13 Cb 0.85 -3.36 -0.07 0.00 -1.82 0.00 0.00 70.33 65.93 2dlx n THR 13 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 2dlx s THR 14 N -3.23 -0.45 -0.12 12.58 2.01 -1.26 -5.15 115.64 120.02 2dlx s THR 14 Ca 0.37 0.04 -0.05 0.00 0.31 0.00 0.00 61.69 62.36 2dlx s THR 14 Cb -0.16 -0.89 0.06 0.00 0.01 0.00 0.00 72.50 71.52 2dlx s THR 14 CO 0.51 0.02 0.26 -1.48 -0.69 0.00 0.00 174.62 173.24 2dlx s LEU 15 N 2.19 -0.11 -0.10 4.42 2.34 -1.26 -5.15 118.68 121.02 2dlx s LEU 15 Ca -0.07 0.58 0.03 0.00 0.06 0.00 0.00 54.13 54.72 2dlx s LEU 15 Cb -0.09 0.71 0.01 0.00 -0.56 0.00 0.00 46.19 46.26 2dlx s LEU 15 CO -0.17 -0.22 -0.20 0.00 -1.06 0.00 0.00 176.35 174.70 2dlx s ALA 16 N 2.10 1.92 -0.27 1.48 0.00 -1.26 -5.10 121.76 120.64 2dlx s ALA 16 Ca -0.02 -0.83 -0.04 0.00 0.00 0.00 0.00 51.96 51.07 2dlx s ALA 16 Cb -0.12 -0.78 0.10 0.00 0.00 0.00 0.00 23.12 22.32 2dlx s ALA 16 CO -0.09 0.16 0.14 0.16 0.00 0.00 0.00 175.76 176.14 2dlx s ASP 17 N 0.55 3.10 -0.09 0.00 -4.77 -1.26 -4.98 116.67 109.23 2dlx s ASP 17 Ca -0.15 -1.09 0.02 0.00 -3.30 0.00 0.00 52.55 48.03 2dlx s ASP 17 Cb -0.17 -0.23 -0.07 0.00 -1.09 0.00 0.00 42.92 41.36 2dlx s ASP 17 CO 0.05 -0.42 -0.06 0.18 0.70 0.00 0.00 175.17 175.63 2dlx n LEU 18 N 5.26 2.38 -0.14 2.11 7.99 -1.26 -4.68 117.00 128.67 2dlx n LEU 18 Ca -0.06 -0.04 -0.07 0.00 -0.01 0.00 0.00 56.01 55.83 2dlx n LEU 18 Cb 0.44 -0.22 0.02 0.00 -0.11 0.00 0.00 43.42 43.54 2dlx n LEU 18 CO 0.05 0.56 1.04 -0.26 -1.51 0.00 0.00 177.39 177.27 2dlx h PHE 19 N 0.00 0.50 -3.61 -1.77 -1.00 -2.08 -3.43 116.94 105.57 2dlx h PHE 19 Ca -0.20 0.01 -0.50 0.00 2.81 0.00 0.00 57.97 60.09 2dlx h PHE 19 Cb 1.34 -0.16 -0.01 0.00 3.61 0.00 0.00 35.95 40.73 2dlx h PHE 19 CO 0.01 0.30 0.04 1.03 -1.61 0.00 0.00 178.31 178.08 2dlx s ARG 20 N -6.15 3.83 0.97 1.51 1.81 -1.26 -5.08 118.95 114.58 2dlx s ARG 20 Ca -0.13 0.45 -0.12 0.00 -1.72 0.00 0.00 55.73 54.20 2dlx s ARG 20 Cb 0.12 -2.47 0.17 0.00 -0.45 0.00 0.00 34.95 32.31 2dlx s ARG 20 CO 0.73 0.11 1.09 -1.25 -0.68 0.00 0.00 175.30 175.30 2dlx s PRO 21 N -3.38 0.69 -0.44 3.54 0.04 -1.26 -4.93 135.00 129.26 2dlx s PRO 21 Ca 0.51 0.61 -0.28 0.00 0.04 0.00 0.00 61.00 61.88 2dlx s PRO 21 Cb -0.10 -1.76 -0.01 0.00 0.04 0.00 0.00 34.50 32.66 2dlx s PRO 21 CO 0.25 -2.58 1.76 -1.25 0.04 0.00 0.00 177.00 175.22 2dlx s PRO 22 N -4.95 3.13 -0.01 0.56 0.04 -1.26 -4.80 135.00 127.70 2dlx s PRO 22 Ca 0.65 1.06 0.05 0.00 0.04 0.00 0.00 61.00 62.80 2dlx s PRO 22 Cb -0.18 -4.24 0.13 0.00 0.04 0.00 0.00 34.50 30.25 2dlx s PRO 22 CO 0.57 -2.11 1.10 0.44 0.04 0.00 0.00 177.00 177.04 2dlx n ILE 23 N 7.29 1.09 -0.34 0.56 -5.35 -1.26 -4.76 119.36 116.60 2dlx n ILE 23 Ca 0.21 -1.10 0.05 0.00 -0.27 0.00 0.00 62.75 61.63 2dlx n ILE 23 Cb 0.49 0.43 0.13 0.00 -1.74 0.00 0.00 39.64 38.95 2dlx n ILE 23 CO 0.00 0.00 0.00 0.44 -1.76 0.00 0.00 176.55 175.23 2dlx h ASP 24 N 0.67 -0.88 0.04 7.28 5.19 -2.00 -1.81 116.42 124.91 2dlx h ASP 24 Ca 0.00 0.28 -0.00 0.00 -0.62 0.00 0.00 57.03 56.69 2dlx h ASP 24 Cb 0.63 0.58 0.00 0.00 0.18 0.00 0.00 39.33 40.72 2dlx h ASP 24 CO 0.01 -0.31 -0.02 0.25 -3.12 0.00 0.00 179.24 176.05 2dlx h LEU 25 N -0.00 -0.05 -9.00 1.55 5.85 -1.90 -3.44 115.31 108.32 2dlx h LEU 25 Ca 0.45 -0.59 -0.57 0.00 0.84 0.00 0.00 57.88 58.00 2dlx h LEU 25 Cb 0.68 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 2dlx h LEU 25 CO -0.97 0.70 1.32 -0.04 -0.34 0.00 0.00 178.44 179.11 2dlx s MET 26 N -2.54 3.44 -0.10 1.25 -1.94 -0.68 -4.35 119.30 114.37 2dlx s MET 26 Ca -0.13 1.84 -0.03 0.00 -1.71 0.00 0.00 55.69 55.65 2dlx s MET 26 Cb -0.01 -4.23 0.04 0.00 2.01 0.00 0.00 34.83 32.64 2dlx s MET 26 CO 0.49 -1.74 0.06 -1.58 -0.01 0.00 0.00 175.02 172.24 2dlx s HIS 27 N 6.82 0.28 -0.04 -0.03 5.04 -1.24 -4.77 115.29 121.34 2dlx s HIS 27 Ca 0.87 -0.10 -0.09 0.00 -1.54 0.00 0.00 55.06 54.20 2dlx s HIS 27 Cb -0.29 -0.65 0.02 0.00 0.04 0.00 0.00 32.58 31.70 2dlx s HIS 27 CO 0.34 -0.36 0.22 0.21 -2.34 0.00 0.00 174.74 172.81 2dlx s LYS 28 N 2.10 0.43 0.00 2.88 2.36 -1.26 -4.45 119.74 121.80 2dlx s LYS 28 Ca 0.03 -0.02 0.00 0.00 -2.55 0.00 0.00 55.97 53.44 2dlx s LYS 28 Cb -0.14 0.19 0.00 0.00 -1.05 0.00 0.00 37.83 36.83 2dlx s LYS 28 CO -0.06 -0.09 0.00 0.41 1.55 0.00 0.00 175.35 177.16 2dlx n GLY 29 N 2.11 -1.24 3.46 5.54 0.00 -1.26 -5.12 105.19 108.67 2dlx n GLY 29 Ca -0.18 0.53 -0.33 0.00 0.00 0.00 0.00 46.02 46.04 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 -4.00 4.27 0.23 1.61 0.01 -1.26 -5.02 113.70 109.54 2dlx s SER 30 Ca 0.00 -0.20 -0.07 0.00 1.31 0.00 0.00 55.95 57.00 2dlx s SER 30 Cb 0.00 -1.34 0.34 0.00 0.21 0.00 0.00 66.02 65.22 2dlx s SER 30 CO 0.00 0.25 1.80 2.19 0.41 0.00 0.00 173.24 177.89 2dlx h PHE 31 N 6.04 0.72 -0.96 2.43 -0.00 -2.00 -1.25 116.94 121.92 2dlx h PHE 31 Ca -0.37 0.03 0.12 0.00 -0.00 0.00 0.00 57.97 57.75 2dlx h PHE 31 Cb 1.19 -0.21 -0.08 0.00 -0.00 0.00 0.00 35.95 36.84 2dlx h PHE 31 CO 0.52 0.29 0.59 0.93 -0.00 0.00 0.00 178.31 180.64 2dlx h GLU 32 N 0.69 0.90 -0.50 6.09 4.39 -2.01 -1.60 114.58 122.53 2dlx h GLU 32 Ca 0.35 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.99 2dlx h GLU 32 Cb 0.33 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.75 2dlx h GLU 32 CO -0.24 0.60 0.27 1.15 -1.16 0.00 0.00 179.01 179.63 2dlx h THR 33 N 0.93 1.17 -0.96 1.13 2.02 -1.65 -2.36 112.91 113.20 2dlx h THR 33 Ca 0.48 -0.45 0.18 0.00 0.77 0.00 0.00 66.41 67.39 2dlx h THR 33 Cb 0.48 0.55 -0.18 0.00 -1.74 0.00 0.00 68.15 67.27 2dlx h THR 33 CO -0.27 0.19 -0.27 0.00 0.37 0.00 0.00 175.52 175.53 2dlx h ALA 34 N 1.11 0.51 -0.19 6.16 0.00 -1.02 0.28 119.26 126.12 2dlx h ALA 34 Ca 0.18 0.35 -0.14 0.00 0.00 0.00 0.00 54.91 55.30 2dlx h ALA 34 Cb 0.05 0.79 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2dlx h ALA 34 CO -0.03 -0.44 -0.41 0.87 0.00 0.00 0.00 179.25 179.23 2dlx h LYS 35 N -0.01 0.61 0.01 0.00 1.57 -1.55 -3.02 116.57 114.18 2dlx h LYS 35 Ca 0.43 -0.41 0.03 0.00 -1.87 0.00 0.00 60.65 58.83 2dlx h LYS 35 Cb 0.68 0.06 -0.06 0.00 0.08 0.00 0.00 32.23 32.99 2dlx h LYS 35 CO -0.98 1.02 -0.45 0.93 -0.57 0.00 0.00 179.45 179.40 2dlx h GLU 36 N 0.28 -0.58 0.04 3.15 5.08 -0.05 -2.73 114.58 119.78 2dlx h GLU 36 Ca 0.00 0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.43 2dlx h GLU 36 Cb 1.02 0.13 -0.05 0.00 0.50 0.00 0.00 28.75 30.35 2dlx h GLU 36 CO 0.09 -0.39 -0.43 0.00 -1.00 0.00 0.00 179.01 177.28 2dlx n GLY 38 N -1.46 -0.65 0.19 0.00 0.00 -1.04 -0.02 105.19 102.20 2dlx n GLY 38 Ca -0.06 0.61 -0.07 0.00 0.00 0.00 0.00 46.02 46.49 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 -0.43 -0.20 1.61 4.20 -1.10 0.33 115.11 119.52 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 2.17 0.10 -0.04 0.00 0.30 0.00 0.00 27.48 30.01 2dlx h GLN 39 CO -0.40 -0.29 -0.04 0.52 -0.67 0.00 0.00 178.83 177.95 2dlx h MET 40 N -0.67 0.01 0.00 1.46 2.86 -0.70 -0.82 114.93 117.08 2dlx h MET 40 Ca -0.05 -0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.58 2dlx h MET 40 Cb 0.34 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.00 2dlx h MET 40 CO 0.08 0.01 -0.08 1.96 1.06 0.00 0.00 176.91 179.94 2dlx h GLN 41 N 0.01 0.00 -5.21 1.72 4.20 -0.55 -3.47 115.11 111.81 2dlx h GLN 41 Ca 0.10 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.50 2dlx h GLN 41 Cb 0.14 0.00 0.14 0.00 0.30 0.00 0.00 27.48 28.07 2dlx h GLN 41 CO -0.20 0.08 -0.66 0.09 -0.67 0.00 0.00 178.83 177.47 2dlx n ASN 42 N -3.31 -2.89 -4.41 1.46 4.13 0.10 -5.02 115.26 105.32 2dlx n ASN 42 Ca -0.01 -0.53 -0.23 0.00 1.68 0.00 0.00 54.58 55.50 2dlx n ASN 42 Cb 0.28 -4.54 -0.10 0.00 -1.54 0.00 0.00 39.78 33.87 2dlx n ASN 42 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2dlx s LYS 43 N -5.41 1.71 0.38 3.52 1.02 -0.22 -4.28 119.74 116.48 2dlx s LYS 43 Ca 0.12 -1.97 -0.14 0.00 0.02 0.00 0.00 55.97 54.00 2dlx s LYS 43 Cb -0.05 -0.85 -0.08 0.00 -0.52 0.00 0.00 37.83 36.33 2dlx s LYS 43 CO 0.64 -0.24 0.79 -1.58 -0.92 0.00 0.00 175.35 174.04 2dlx s TRP 44 N -3.27 3.42 -0.19 3.18 0.52 -0.18 -4.63 118.94 117.78 2dlx s TRP 44 Ca 0.34 1.20 -0.08 0.00 0.02 0.00 0.00 56.10 57.57 2dlx s TRP 44 Cb 0.08 -2.55 -0.04 0.00 -1.15 0.00 0.00 33.47 29.81 2dlx s TRP 44 CO 0.15 -0.05 0.09 -1.17 0.02 0.00 0.00 176.95 175.99 2dlx s LEU 45 N -3.47 3.96 -0.31 2.99 2.96 -0.78 -0.17 118.68 123.86 2dlx s LEU 45 Ca 0.54 0.13 -0.00 0.00 -0.22 0.00 0.00 54.13 54.58 2dlx s LEU 45 Cb -0.10 -2.01 0.07 0.00 0.50 0.00 0.00 46.19 44.64 2dlx s LEU 45 CO 0.24 0.17 0.01 -0.32 -1.32 0.00 0.00 176.35 175.13 2dlx s MET 46 N 0.41 2.22 -0.00 1.98 -2.45 -1.21 -1.50 119.30 118.75 2dlx s MET 46 Ca 0.05 -1.43 -0.21 0.00 -1.25 0.00 0.00 55.69 52.85 2dlx s MET 46 Cb -0.12 -3.17 -0.05 0.00 1.25 0.00 0.00 34.83 32.74 2dlx s MET 46 CO -0.00 -0.71 0.61 0.42 1.05 0.00 0.00 175.02 176.39 2dlx s ILE 47 N 1.16 4.90 -0.06 10.11 -1.09 -1.18 -3.37 121.20 131.67 2dlx s ILE 47 Ca -0.02 1.27 -0.02 0.00 -2.23 0.00 0.00 60.65 59.64 2dlx s ILE 47 Cb -0.20 -3.94 0.04 0.00 -1.58 0.00 0.00 42.46 36.77 2dlx s ILE 47 CO -0.03 0.41 0.10 0.20 -1.23 0.00 0.00 174.94 174.39 2dlx s ASN 48 N -0.17 0.90 -0.10 3.58 0.02 -1.15 -3.76 114.94 114.26 2dlx s ASN 48 Ca 0.32 0.18 -0.01 0.00 -1.02 0.00 0.00 52.86 52.33 2dlx s ASN 48 Cb -0.18 0.03 -0.03 0.00 0.02 0.00 0.00 41.25 41.09 2dlx s ASN 48 CO 0.18 -0.24 -0.07 -0.63 0.02 0.00 0.00 177.10 176.35 2dlx s ILE 49 N 2.13 3.63 -0.02 0.60 -1.09 -1.26 -1.65 121.20 123.54 2dlx s ILE 49 Ca 0.03 -0.48 0.05 0.00 -2.23 0.00 0.00 60.65 58.01 2dlx s ILE 49 Cb -0.12 -2.52 -0.03 0.00 -1.58 0.00 0.00 42.46 38.21 2dlx s ILE 49 CO -0.04 0.56 -0.14 0.00 -1.23 0.00 0.00 174.94 174.08 2dlx s GLN 50 N -0.29 2.38 -0.06 2.79 0.00 -1.21 -4.38 119.66 118.89 2dlx s GLN 50 Ca 0.04 -0.78 -0.07 0.00 -0.00 0.00 0.00 55.36 54.55 2dlx s GLN 50 Cb -0.13 -2.34 -0.04 0.00 0.00 0.00 0.00 33.01 30.51 2dlx s GLN 50 CO 0.02 0.60 0.20 0.54 0.00 0.00 0.00 175.29 176.65 2dlx s ASN 51 N -1.03 6.44 -0.03 12.60 4.22 -1.26 -3.22 114.94 132.66 2dlx s ASN 51 Ca 0.13 0.50 -0.05 0.00 -2.14 0.00 0.00 52.86 51.30 2dlx s ASN 51 Cb -0.11 -2.07 -0.28 0.00 1.28 0.00 0.00 41.25 40.07 2dlx s ASN 51 CO 0.03 0.34 0.72 -0.37 -2.04 0.00 0.00 177.10 175.78 2dlx h VAL 52 N 3.50 0.99 0.19 3.54 -1.51 -2.01 -3.37 116.25 117.58 2dlx h VAL 52 Ca -0.52 -2.64 0.00 0.00 -1.23 0.00 0.00 66.70 62.30 2dlx h VAL 52 Cb 1.21 2.70 -0.01 0.00 -2.13 0.00 0.00 31.29 33.06 2dlx h VAL 52 CO 0.62 0.82 -0.17 1.56 -1.23 0.00 0.00 177.57 179.17 2dlx h GLN 53 N 0.08 -0.37 -6.35 5.19 4.20 -2.07 -3.44 115.11 112.34 2dlx h GLN 53 Ca -0.30 0.03 -0.62 0.00 0.06 0.00 0.00 58.65 57.82 2dlx h GLN 53 Cb 2.04 0.08 -0.15 0.00 0.30 0.00 0.00 27.48 29.76 2dlx h GLN 53 CO 0.15 -0.25 -0.76 -0.51 -0.67 0.00 0.00 178.83 176.79 2dlx s ASP 54 N -4.87 3.72 -0.51 1.46 1.01 -1.26 -5.10 116.67 111.12 2dlx s ASP 54 Ca -0.15 -0.89 -0.17 0.00 0.71 0.00 0.00 52.55 52.05 2dlx s ASP 54 Cb 0.06 -0.39 0.09 0.00 1.01 0.00 0.00 42.92 43.69 2dlx s ASP 54 CO 0.65 0.07 0.50 -0.36 0.21 0.00 0.00 175.17 176.23 2dlx s PHE 55 N -2.16 3.18 -0.02 4.23 0.40 -1.26 -4.36 117.98 117.99 2dlx s PHE 55 Ca 0.27 -0.96 -0.02 0.00 -0.60 0.00 0.00 56.93 55.62 2dlx s PHE 55 Cb -0.06 -3.49 -0.01 0.00 0.51 0.00 0.00 43.02 39.97 2dlx s PHE 55 CO 0.14 -0.95 -0.04 0.00 0.70 0.00 0.00 175.22 175.07 2dlx n ALA 56 N 5.51 0.10 -0.07 5.36 0.00 -1.26 -4.48 120.51 125.67 2dlx n ALA 56 Ca -0.12 -0.29 0.25 0.00 0.00 0.00 0.00 53.44 53.28 2dlx n ALA 56 Cb 0.43 0.00 0.72 0.00 0.00 0.00 0.00 19.45 20.60 2dlx n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dlx h GLN 58 N 0.00 0.46 0.29 0.00 -0.00 -1.97 0.50 115.11 114.40 2dlx h GLN 58 Ca 0.33 -0.03 -0.01 0.00 -0.00 0.00 0.00 58.65 58.94 2dlx h GLN 58 Cb 1.48 -0.10 0.00 0.00 -0.00 0.00 0.00 27.48 28.85 2dlx h GLN 58 CO -0.00 0.31 -0.14 0.00 -0.00 0.00 0.00 178.83 178.99 2dlx h LEU 60 N -1.07 -0.98 -1.97 0.00 4.07 -1.52 -2.15 115.31 111.70 2dlx h LEU 60 Ca -0.04 0.05 0.50 0.00 0.08 0.00 0.00 57.88 58.47 2dlx h LEU 60 Cb 0.37 0.27 -0.07 0.00 1.08 0.00 0.00 40.66 42.32 2dlx h LEU 60 CO 0.07 -0.65 1.27 -1.13 -1.08 0.00 0.00 178.44 176.92 2dlx h ASN 61 N -1.05 0.00 -0.37 -0.43 -0.73 -0.16 0.60 115.58 113.44 2dlx h ASN 61 Ca -0.10 0.00 0.04 0.00 1.87 0.00 0.00 56.30 58.11 2dlx h ASN 61 Cb 0.82 0.00 -0.07 0.00 0.27 0.00 0.00 38.32 39.35 2dlx h ASN 61 CO 0.13 0.00 -0.42 -0.09 -0.37 0.00 0.00 177.43 176.68 2dlx h ARG 62 N 0.00 -0.24 0.00 6.67 2.43 -1.35 -3.21 114.38 118.68 2dlx h ARG 62 Ca 0.82 0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.97 2dlx h ARG 62 Cb 3.34 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 32.94 2dlx h ARG 62 CO -0.01 -0.16 -1.15 -0.25 -1.51 0.00 0.00 179.97 176.90 2dlx n ASP 63 N -4.68 4.01 0.01 -3.80 9.92 -0.40 -4.44 116.55 117.18 2dlx n ASP 63 Ca -0.02 -0.01 -0.02 0.00 -0.53 0.00 0.00 54.79 54.21 2dlx n ASP 63 Cb 0.24 0.14 -0.01 0.00 -0.64 0.00 0.00 41.12 40.85 2dlx n ASP 63 CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 2dlx h VAL 64 N 0.00 0.00 -0.04 2.53 2.07 -0.02 -1.21 116.25 119.58 2dlx h VAL 64 Ca -0.06 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.46 2dlx h VAL 64 Cb 1.10 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 2dlx h VAL 64 CO -0.01 0.00 0.00 0.79 0.02 0.00 0.00 177.57 178.37 2dlx n TRP 65 N -2.82 0.11 -0.05 1.57 5.03 -1.20 -3.39 117.44 116.69 2dlx n TRP 65 Ca -0.01 -0.04 -0.13 0.00 3.03 0.00 0.00 57.50 60.36 2dlx n TRP 65 Cb 0.05 -0.10 -0.14 0.00 -1.03 0.00 0.00 31.31 30.09 2dlx n TRP 65 CO 0.00 0.00 0.00 0.45 -0.03 0.00 0.00 177.69 178.11 2dlx n SER 66 N -0.05 1.01 -4.70 -0.99 2.88 -0.48 -4.86 113.62 106.44 2dlx n SER 66 Ca 0.02 0.19 -0.42 0.00 -1.33 0.00 0.00 58.87 57.33 2dlx n SER 66 Cb 0.25 0.03 -0.03 0.00 -0.75 0.00 0.00 64.21 63.71 2dlx n SER 66 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 2dlx s ASN 67 N -6.16 6.71 0.19 -3.46 -0.87 -1.09 -4.91 114.94 105.35 2dlx s ASN 67 Ca -0.13 2.37 -0.12 0.00 -1.57 0.00 0.00 52.86 53.40 2dlx s ASN 67 Cb 0.07 -2.57 0.16 0.00 -0.02 0.00 0.00 41.25 38.90 2dlx s ASN 67 CO 0.79 -0.80 1.80 1.05 -2.57 0.00 0.00 177.10 177.37 2dlx h GLU 68 N 7.79 0.58 -0.73 -0.60 4.11 -1.93 -2.27 114.58 121.53 2dlx h GLU 68 Ca -0.41 -0.03 0.17 0.00 0.07 0.00 0.00 59.36 59.15 2dlx h GLU 68 Cb 1.20 -0.13 -0.12 0.00 0.50 0.00 0.00 28.75 30.20 2dlx h GLU 68 CO 0.91 0.38 0.09 0.00 0.07 0.00 0.00 179.01 180.46 2dlx h ALA 69 N 1.29 0.86 -0.59 1.06 0.00 -1.98 0.22 119.26 120.11 2dlx h ALA 69 Ca 0.25 0.20 -0.08 0.00 0.00 0.00 0.00 54.91 55.28 2dlx h ALA 69 Cb 0.12 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2dlx h ALA 69 CO -0.15 -0.39 0.05 0.28 0.00 0.00 0.00 179.25 179.04 2dlx h VAL 70 N 0.18 1.26 0.67 0.00 2.07 -1.76 -2.70 116.25 115.97 2dlx h VAL 70 Ca 0.41 -1.07 -0.03 0.00 0.82 0.00 0.00 66.70 66.83 2dlx h VAL 70 Cb 0.72 0.79 0.01 0.00 -1.52 0.00 0.00 31.29 31.28 2dlx h VAL 70 CO -0.58 0.39 -0.32 0.11 0.02 0.00 0.00 177.57 177.18 2dlx h LYS 71 N 0.91 -0.87 -0.53 1.57 1.57 -0.43 0.63 116.57 119.42 2dlx h LYS 71 Ca 0.17 0.06 0.15 0.00 -1.87 0.00 0.00 60.65 59.17 2dlx h LYS 71 Cb 0.49 0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.97 2dlx h LYS 71 CO 0.02 -0.58 0.69 -0.91 -0.57 0.00 0.00 179.45 178.10 2dlx h ASN 72 N -1.03 0.00 0.08 0.86 2.35 -0.75 0.18 115.58 117.28 2dlx h ASN 72 Ca -0.09 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.47 2dlx h ASN 72 Cb 0.69 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.06 2dlx h ASN 72 CO 0.15 0.00 -0.90 0.40 -1.65 0.00 0.00 177.43 175.43 2dlx h ILE 73 N 0.00 1.33 0.00 2.81 2.04 -1.14 -2.36 117.51 120.20 2dlx h ILE 73 Ca 0.25 -2.40 0.00 0.00 1.00 0.00 0.00 64.86 63.71 2dlx h ILE 73 Cb 1.63 2.95 0.00 0.00 -0.74 0.00 0.00 36.82 40.65 2dlx h ILE 73 CO -0.00 0.64 0.00 0.40 0.00 0.00 0.00 178.15 179.18 2dlx h ILE 74 N -0.57 0.00 0.04 -0.67 2.04 0.17 0.17 117.51 118.69 2dlx h ILE 74 Ca -0.19 -0.18 -0.34 0.00 1.00 0.00 0.00 64.86 65.14 2dlx h ILE 74 Cb 1.50 1.00 -0.04 0.00 -0.74 0.00 0.00 36.82 38.54 2dlx h ILE 74 CO 0.04 0.00 -1.90 -2.11 0.00 0.00 0.00 178.15 174.18 2dlx n ARG 75 N -2.69 0.65 -0.01 2.37 1.85 -0.25 -2.18 116.66 116.40 2dlx n ARG 75 Ca -0.01 0.36 -0.00 0.00 -1.00 0.00 0.00 57.85 57.20 2dlx n ARG 75 Cb 0.16 -1.66 -0.00 0.00 -1.05 0.00 0.00 32.46 29.91 2dlx n ARG 75 CO 0.00 0.00 0.00 1.49 -0.01 0.00 0.00 177.63 179.11 2dlx h GLU 76 N -0.49 0.00 -0.39 2.89 4.81 -1.21 -3.39 114.58 116.79 2dlx h GLU 76 Ca -0.47 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 58.79 2dlx h GLU 76 Cb 1.69 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 31.04 2dlx h GLU 76 CO -0.13 0.00 0.19 0.45 -0.73 0.00 0.00 179.01 178.79 2dlx h HIS 77 N -0.20 0.35 -0.55 0.92 3.86 -0.91 -3.44 115.15 115.18 2dlx h HIS 77 Ca 0.00 0.02 -0.65 0.00 -1.16 0.00 0.00 60.37 58.58 2dlx h HIS 77 Cb 0.01 -0.10 -0.11 0.00 1.06 0.00 0.00 27.41 28.27 2dlx h HIS 77 CO -0.00 0.18 -0.47 -0.06 0.86 0.00 0.00 177.93 178.43 2dlx s PHE 78 N -6.15 1.89 -0.36 2.45 0.40 -0.71 -1.02 117.98 114.49 2dlx s PHE 78 Ca -0.13 -0.89 -0.01 0.00 -0.60 0.00 0.00 56.93 55.29 2dlx s PHE 78 Cb 0.12 -1.71 0.09 0.00 0.51 0.00 0.00 43.02 42.03 2dlx s PHE 78 CO 0.72 0.09 0.11 0.42 0.70 0.00 0.00 175.22 177.26 2dlx s ILE 79 N -2.83 3.01 -0.48 0.64 -1.09 0.76 -3.14 121.20 118.06 2dlx s ILE 79 Ca 0.15 -1.88 -0.28 0.00 -2.23 0.00 0.00 60.65 56.41 2dlx s ILE 79 Cb 0.01 -2.97 -0.08 0.00 -1.58 0.00 0.00 42.46 37.84 2dlx s ILE 79 CO 0.09 -0.48 2.39 0.33 -1.23 0.00 0.00 174.94 176.04 2dlx n PHE 80 N 4.54 1.46 -3.53 3.97 7.35 -0.93 -3.31 117.46 127.03 2dlx n PHE 80 Ca -0.05 0.11 -0.25 0.00 -0.76 0.00 0.00 57.45 56.51 2dlx n PHE 80 Cb 0.42 -2.62 -0.14 0.00 0.35 0.00 0.00 39.48 37.49 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 10.81 0.06 0.06 -5.13 -0.00 -1.22 -3.66 118.94 119.87 2dlx s TRP 81 Ca 1.03 -0.44 0.09 0.00 -0.00 0.00 0.00 56.10 56.78 2dlx s TRP 81 Cb -0.36 -0.69 -0.03 0.00 -0.00 0.00 0.00 33.47 32.39 2dlx s TRP 81 CO 0.32 -0.73 -0.24 1.14 -0.00 0.00 0.00 176.95 177.44 2dlx s GLN 82 N 2.19 1.57 -0.01 5.86 -2.07 -1.26 -2.94 119.66 122.99 2dlx s GLN 82 Ca 0.07 -1.08 -0.08 0.00 -1.82 0.00 0.00 55.36 52.44 2dlx s GLN 82 Cb -0.16 -1.77 0.01 0.00 -1.09 0.00 0.00 33.01 30.00 2dlx s GLN 82 CO -0.25 0.45 0.17 0.14 -1.32 0.00 0.00 175.29 174.48 2dlx s VAL 83 N -0.85 0.06 0.64 3.63 -7.23 -0.66 -4.99 120.40 111.00 2dlx s VAL 83 Ca 0.10 -0.53 -0.14 0.00 -1.81 0.00 0.00 61.98 59.59 2dlx s VAL 83 Cb -0.10 -0.43 -0.01 0.00 0.56 0.00 0.00 36.38 36.40 2dlx s VAL 83 CO 0.03 -0.29 1.07 -0.31 -0.31 0.00 0.00 175.10 175.28 2dlx s TYR 84 N -1.11 2.90 0.03 2.82 1.51 -1.26 -3.32 117.35 118.92 2dlx s TYR 84 Ca -0.12 1.51 -0.21 0.00 -1.01 0.00 0.00 57.07 57.23 2dlx s TYR 84 Cb -0.06 -3.02 -0.15 0.00 -0.11 0.00 0.00 41.96 38.61 2dlx s TYR 84 CO 0.02 -1.31 1.33 1.12 -1.11 0.00 0.00 175.55 175.60 2dlx h HIS 85 N 0.01 0.35 -1.02 2.71 2.07 -1.85 -3.10 115.15 114.32 2dlx h HIS 85 Ca -0.46 -0.11 0.25 0.00 -2.85 0.00 0.00 60.37 57.21 2dlx h HIS 85 Cb 1.22 -0.07 -0.10 0.00 2.57 0.00 0.00 27.41 31.03 2dlx h HIS 85 CO 0.58 0.70 0.65 -0.44 -3.07 0.00 0.00 177.93 176.35 2dlx h ASP 86 N -0.10 0.51 -2.25 3.10 3.32 -1.92 -2.87 116.42 116.21 2dlx h ASP 86 Ca 0.02 0.09 -0.38 0.00 0.02 0.00 0.00 57.03 56.78 2dlx h ASP 86 Cb 0.64 0.01 0.20 0.00 0.22 0.00 0.00 39.33 40.40 2dlx h ASP 86 CO 0.03 0.11 -0.77 -1.54 -1.72 0.00 0.00 179.24 175.35 2dlx n SER 87 N -4.67 -2.70 0.10 6.45 3.41 -1.17 -4.81 113.62 110.22 2dlx n SER 87 Ca 0.25 -0.27 -0.21 0.00 -0.26 0.00 0.00 58.87 58.37 2dlx n SER 87 Cb 0.82 -0.90 -0.13 0.00 -0.26 0.00 0.00 64.21 63.74 2dlx n SER 87 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 2dlx h GLU 88 N -2.40 0.58 0.00 4.33 4.11 -1.86 -3.14 114.58 116.20 2dlx h GLU 88 Ca -0.44 -0.78 -0.14 0.00 0.07 0.00 0.00 59.36 58.07 2dlx h GLU 88 Cb 1.18 0.26 -0.02 0.00 0.50 0.00 0.00 28.75 30.68 2dlx h GLU 88 CO 0.31 1.35 -0.65 1.05 0.07 0.00 0.00 179.01 181.14 2dlx h GLU 89 N 0.25 0.00 -0.53 1.06 9.09 -1.89 -3.19 114.58 119.37 2dlx h GLU 89 Ca -0.18 0.00 -0.12 0.00 0.05 0.00 0.00 59.36 59.11 2dlx h GLU 89 Cb 1.91 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 29.00 2dlx h GLU 89 CO 0.23 0.65 -0.12 0.78 0.05 0.00 0.00 179.01 180.60 2dlx h GLY 90 N 2.29 1.10 0.85 1.06 0.00 -1.61 -3.07 103.07 103.69 2dlx h GLY 90 Ca -0.01 -0.90 -0.04 0.00 0.00 0.00 0.00 47.33 46.38 2dlx h GLY 90 CO 0.08 0.82 -0.41 1.46 0.00 0.00 0.00 176.54 178.50 2dlx h GLN 91 N 0.88 -1.10 -0.98 4.80 1.08 -1.45 -3.08 115.11 115.27 2dlx h GLN 91 Ca 0.13 0.07 0.12 0.00 -1.45 0.00 0.00 58.65 57.53 2dlx h GLN 91 Cb 0.69 0.25 -0.14 0.00 -0.05 0.00 0.00 27.48 28.23 2dlx h GLN 91 CO 0.05 -0.73 -0.50 0.00 -0.95 0.00 0.00 178.83 176.70 2dlx h ARG 92 N -1.31 -0.01 -0.82 1.46 3.08 -1.62 0.32 114.38 115.49 2dlx h ARG 92 Ca -0.12 0.00 0.18 0.00 0.07 0.00 0.00 59.98 60.11 2dlx h ARG 92 Cb 0.87 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 30.77 2dlx h ARG 92 CO 0.19 -0.01 -0.11 -0.92 -1.07 0.00 0.00 179.97 178.05 2dlx h TYR 93 N -0.01 -0.26 -0.69 3.04 3.20 -1.55 0.17 116.97 120.86 2dlx h TYR 93 Ca 0.24 0.07 0.14 0.00 3.14 0.00 0.00 58.73 62.32 2dlx h TYR 93 Cb 0.50 0.25 -0.13 0.00 1.54 0.00 0.00 36.73 38.88 2dlx h TYR 93 CO -0.95 -0.33 -0.13 0.82 -1.64 0.00 0.00 178.16 175.94 2dlx h ILE 94 N 0.03 0.33 -0.67 1.81 2.04 -0.26 0.94 117.51 121.74 2dlx h ILE 94 Ca 0.42 -0.01 -0.04 0.00 1.00 0.00 0.00 64.86 66.23 2dlx h ILE 94 Cb 0.72 0.30 -0.03 0.00 -0.74 0.00 0.00 36.82 37.07 2dlx h ILE 94 CO -0.80 0.00 0.25 1.56 0.00 0.00 0.00 178.15 179.17 2dlx h GLN 95 N 0.02 1.01 -0.29 2.37 4.20 -0.56 0.98 115.11 122.84 2dlx h GLN 95 Ca 0.34 -0.19 0.03 0.00 0.06 0.00 0.00 58.65 58.89 2dlx h GLN 95 Cb 0.55 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 28.13 2dlx h GLN 95 CO -0.69 0.85 -0.17 0.34 -0.67 0.00 0.00 178.83 178.50 2dlx n PHE 96 N -4.38 -0.13 -0.82 2.96 -0.00 0.32 -1.58 117.46 113.84 2dlx n PHE 96 Ca 0.05 0.36 0.08 0.00 -0.00 0.00 0.00 57.45 57.94 2dlx n PHE 96 Cb 0.19 -0.45 0.22 0.00 -0.00 0.00 0.00 39.48 39.43 2dlx n PHE 96 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.76 177.42 2dlx n TYR 97 N -3.59 0.73 -3.82 -5.13 4.02 -1.20 -4.96 117.16 103.20 2dlx n TYR 97 Ca 0.01 -0.81 -0.27 0.00 -0.01 0.00 0.00 57.90 56.82 2dlx n TYR 97 Cb 0.07 -0.24 0.03 0.00 -0.02 0.00 0.00 39.34 39.19 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 -0.42 -5.68 -1.63 -0.72 4.76 0.29 -4.88 118.16 109.89 2dlx n LYS 98 Ca 0.18 0.63 -0.41 0.00 -2.87 0.00 0.00 58.31 55.85 2dlx n LYS 98 Cb 0.76 -5.47 0.02 0.00 -1.84 0.00 0.00 35.03 28.50 2dlx n LYS 98 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 2dlx n LEU 99 N -4.62 3.00 -2.69 -0.35 0.00 0.12 -4.94 117.00 107.52 2dlx n LEU 99 Ca -0.05 1.03 -0.04 0.00 0.00 0.00 0.00 56.01 56.95 2dlx n LEU 99 Cb 0.57 -1.39 0.12 0.00 0.00 0.00 0.00 43.42 42.72 2dlx n LEU 99 CO 0.73 -1.35 0.54 0.61 0.00 0.00 0.00 177.39 177.92 2dlx n GLY 100 N 1.12 1.78 3.53 -3.96 0.00 -1.26 -4.88 105.19 101.52 2dlx n GLY 100 Ca 0.09 -0.23 -0.09 0.00 0.00 0.00 0.00 46.02 45.79 2dlx n GLY 100 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2dlx s ASP 101 N -1.35 -0.40 -0.01 1.61 1.47 -1.26 -5.19 116.67 111.54 2dlx s ASP 101 Ca 0.15 -0.08 -0.23 0.00 1.18 0.00 0.00 52.55 53.56 2dlx s ASP 101 Cb 0.43 0.48 0.05 0.00 -0.34 0.00 0.00 42.92 43.54 2dlx s ASP 101 CO -0.11 -0.80 0.51 -0.36 0.68 0.00 0.00 175.17 175.10 2dlx s PHE 102 N -3.38 -0.44 1.03 2.11 0.08 -1.26 -4.42 117.98 111.71 2dlx s PHE 102 Ca 0.05 0.67 -0.13 0.00 0.12 0.00 0.00 56.93 57.64 2dlx s PHE 102 Cb -0.01 0.29 0.20 0.00 -0.57 0.00 0.00 43.02 42.93 2dlx s PHE 102 CO -0.08 -0.54 1.09 -1.25 -0.10 0.00 0.00 175.22 174.34 2dlx s PRO 103 N -1.55 0.18 -0.02 0.24 0.04 -1.26 -5.04 135.00 127.60 2dlx s PRO 103 Ca -0.10 0.43 0.02 0.00 0.04 0.00 0.00 61.00 61.38 2dlx s PRO 103 Cb -0.02 -1.72 0.00 0.00 0.04 0.00 0.00 34.50 32.81 2dlx s PRO 103 CO 0.05 -2.88 -0.05 -0.47 0.04 0.00 0.00 177.00 173.69 2dlx s TYR 104 N -2.97 0.58 -0.19 0.56 5.04 -1.26 -4.68 117.35 114.43 2dlx s TYR 104 Ca 0.66 -0.12 -0.07 0.00 -2.44 0.00 0.00 57.07 55.10 2dlx s TYR 104 Cb -0.18 -0.43 0.08 0.00 0.35 0.00 0.00 41.96 41.78 2dlx s TYR 104 CO 0.58 -0.06 0.41 0.08 -1.34 0.00 0.00 175.55 175.22 2dlx s VAL 105 N 0.20 -0.49 0.05 3.14 1.01 -1.01 -4.04 120.40 119.26 2dlx s VAL 105 Ca -0.02 0.15 -0.08 0.00 0.00 0.00 0.00 61.98 62.03 2dlx s VAL 105 Cb -0.06 -0.65 -0.00 0.00 0.00 0.00 0.00 36.38 35.66 2dlx s VAL 105 CO -0.00 0.06 0.15 -0.44 0.00 0.00 0.00 175.10 174.87 2dlx s SER 106 N 2.31 0.12 -0.35 3.32 0.01 -1.25 -0.89 113.70 116.97 2dlx s SER 106 Ca -0.04 -0.50 -0.10 0.00 1.31 0.00 0.00 55.95 56.62 2dlx s SER 106 Cb -0.11 0.27 0.02 0.00 0.21 0.00 0.00 66.02 66.41 2dlx s SER 106 CO -0.13 -0.57 0.18 -0.63 0.41 0.00 0.00 173.24 172.50 2dlx s ILE 107 N -2.88 4.50 0.06 1.44 1.01 -1.15 -3.10 121.20 121.07 2dlx s ILE 107 Ca -0.03 -0.74 0.03 0.00 0.00 0.00 0.00 60.65 59.91 2dlx s ILE 107 Cb 0.00 -3.44 -0.04 0.00 0.01 0.00 0.00 42.46 39.00 2dlx s ILE 107 CO -0.06 -0.13 0.04 -0.22 0.00 0.00 0.00 174.94 174.57 2dlx s LEU 108 N 1.56 3.63 -0.20 2.97 2.96 -0.56 -2.76 118.68 126.27 2dlx s LEU 108 Ca 0.03 -0.06 -0.15 0.00 -0.22 0.00 0.00 54.13 53.72 2dlx s LEU 108 Cb -0.18 -2.27 -0.04 0.00 0.50 0.00 0.00 46.19 44.19 2dlx s LEU 108 CO 0.06 0.20 0.37 -0.62 -1.32 0.00 0.00 176.35 175.05 2dlx s ASP 109 N -2.15 6.41 0.00 3.68 -1.08 -1.26 -1.86 116.67 120.41 2dlx s ASP 109 Ca 0.26 0.48 0.15 0.00 -0.52 0.00 0.00 52.55 52.92 2dlx s ASP 109 Cb -0.12 -2.22 0.81 0.00 -1.46 0.00 0.00 42.92 39.93 2dlx s ASP 109 CO 0.18 -0.06 1.38 -0.81 0.52 0.00 0.00 175.17 176.38 2dlx n PRO 110 N 4.42 0.31 -0.10 4.34 -0.04 -1.26 0.10 135.00 142.77 2dlx n PRO 110 Ca -0.09 0.09 -0.14 0.00 -0.04 0.00 0.00 63.50 63.32 2dlx n PRO 110 Cb 0.51 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.42 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 -1.18 0.52 -0.11 0.54 1.74 -1.26 -4.58 116.66 112.33 2dlx n ARG 111 Ca 0.09 0.37 -0.14 0.00 -0.77 0.00 0.00 57.85 57.40 2dlx n ARG 111 Cb 0.09 -1.57 -0.14 0.00 -1.02 0.00 0.00 32.46 29.83 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 -4.46 1.41 -2.50 0.55 -2.24 -1.21 -5.03 114.28 100.80 2dlx n THR 112 Ca -0.23 -0.69 -0.02 0.00 -2.27 0.00 0.00 64.05 60.84 2dlx n THR 112 Cb 0.54 -0.97 0.01 0.00 -2.10 0.00 0.00 70.33 67.81 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 2.05 0.70 3.40 3.38 0.00 0.28 -4.99 105.19 110.01 2dlx n GLY 113 Ca -0.39 -0.62 -0.35 0.00 0.00 0.00 0.00 46.02 44.65 2dlx n GLY 113 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2dlx s GLN 114 N -4.94 3.54 -0.32 1.61 0.74 -1.26 -4.82 119.66 114.21 2dlx s GLN 114 Ca 0.05 -0.55 -0.31 0.00 0.05 0.00 0.00 55.36 54.60 2dlx s GLN 114 Cb -0.02 -3.09 -0.08 0.00 1.10 0.00 0.00 33.01 30.92 2dlx s GLN 114 CO 0.06 -0.08 2.24 1.17 -0.55 0.00 0.00 175.29 178.13 2dlx n LYS 115 N 4.52 1.44 -0.07 1.67 4.81 -1.26 -4.19 118.16 125.07 2dlx n LYS 115 Ca -0.17 0.36 -0.08 0.00 -0.87 0.00 0.00 58.31 57.54 2dlx n LYS 115 Cb 0.51 -2.88 -0.06 0.00 0.02 0.00 0.00 35.03 32.62 2dlx n LYS 115 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 2dlx h LEU 116 N 14.33 0.00 -8.96 3.14 3.38 -1.92 -3.49 115.31 121.79 2dlx h LEU 116 Ca -0.32 -0.36 -0.46 0.00 0.09 0.00 0.00 57.88 56.82 2dlx h LEU 116 Cb 1.28 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.89 2dlx h LEU 116 CO 1.02 0.85 -0.72 0.68 0.09 0.00 0.00 178.44 180.36 2dlx s VAL 117 N -2.00 1.71 -0.15 1.22 -7.23 -1.26 -5.03 120.40 107.66 2dlx s VAL 117 Ca -0.13 -2.19 -0.10 0.00 -1.81 0.00 0.00 61.98 57.76 2dlx s VAL 117 Cb 0.00 -2.16 0.05 0.00 0.56 0.00 0.00 36.38 34.83 2dlx s VAL 117 CO 0.33 -0.51 0.37 -1.83 -0.31 0.00 0.00 175.10 173.15 2dlx s GLU 118 N -3.67 0.37 0.05 4.82 -1.05 -1.26 -2.95 118.70 115.01 2dlx s GLU 118 Ca 0.25 0.66 0.01 0.00 -0.15 0.00 0.00 54.97 55.74 2dlx s GLU 118 Cb 0.01 0.04 -0.03 0.00 -0.44 0.00 0.00 34.13 33.70 2dlx s GLU 118 CO 0.08 -0.12 -0.06 -1.58 0.95 0.00 0.00 175.26 174.53 2dlx s TRP 119 N 0.99 0.62 -0.19 4.83 0.51 -0.07 -5.02 118.94 120.61 2dlx s TRP 119 Ca -0.06 -0.63 -0.15 0.00 -2.12 0.00 0.00 56.10 53.13 2dlx s TRP 119 Cb -0.07 -0.38 -0.09 0.00 -0.81 0.00 0.00 33.47 32.12 2dlx s TRP 119 CO -0.08 -0.14 -0.20 1.58 -0.51 0.00 0.00 176.95 177.60 2dlx n HIS 120 N 1.09 0.47 -4.65 -1.98 -0.00 -1.26 -2.40 115.22 106.49 2dlx n HIS 120 Ca -0.20 0.20 -0.33 0.00 0.46 0.00 0.00 57.72 57.86 2dlx n HIS 120 Cb 0.56 -0.79 -0.16 0.00 -0.12 0.00 0.00 29.99 29.48 2dlx n HIS 120 CO 0.00 0.00 0.00 1.14 0.46 0.00 0.00 176.34 177.94 2dlx s GLN 121 N -2.53 3.02 -0.06 1.57 -2.07 -1.26 -4.24 119.66 114.10 2dlx s GLN 121 Ca -0.27 -0.85 0.01 0.00 -1.82 0.00 0.00 55.36 52.43 2dlx s GLN 121 Cb 0.06 -2.44 -0.03 0.00 -1.09 0.00 0.00 33.01 29.51 2dlx s GLN 121 CO 0.41 -0.02 -0.06 -0.51 -1.32 0.00 0.00 175.29 173.78 2dlx s LEU 122 N 0.83 3.22 0.37 2.60 2.01 -1.26 -4.98 118.68 121.47 2dlx s LEU 122 Ca -0.06 -0.02 0.08 0.00 0.01 0.00 0.00 54.13 54.14 2dlx s LEU 122 Cb -0.15 -1.73 -0.07 0.00 0.01 0.00 0.00 46.19 44.25 2dlx s LEU 122 CO -0.02 0.35 -0.05 -1.81 1.01 0.00 0.00 176.35 175.83 2dlx s ASP 123 N -0.92 3.80 0.07 2.29 1.11 -1.26 -4.89 116.67 116.87 2dlx s ASP 123 Ca 0.13 -1.27 -0.24 0.00 0.18 0.00 0.00 52.55 51.35 2dlx s ASP 123 Cb -0.11 -0.37 -0.10 0.00 1.07 0.00 0.00 42.92 43.41 2dlx s ASP 123 CO 0.03 -0.31 1.39 0.58 1.18 0.00 0.00 175.17 178.04 2dlx h VAL 124 N 1.92 0.00 0.34 -1.27 2.07 -1.88 0.56 116.25 117.98 2dlx h VAL 124 Ca -0.43 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.07 2dlx h VAL 124 Cb 1.25 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 2dlx h VAL 124 CO 0.75 0.00 -0.16 -1.28 0.02 0.00 0.00 177.57 176.89 2dlx h SER 125 N -0.51 -0.39 -0.59 0.57 0.87 -1.97 -3.10 113.55 108.43 2dlx h SER 125 Ca -0.00 -0.14 0.10 0.00 -1.23 0.00 0.00 61.79 60.52 2dlx h SER 125 Cb 0.52 0.10 -0.11 0.00 -0.44 0.00 0.00 62.40 62.47 2dlx h SER 125 CO -0.22 0.06 -0.36 -1.28 -0.53 0.00 0.00 176.83 174.50 2dlx h SER 126 N -0.98 -1.24 -0.36 6.23 0.87 -1.97 0.09 113.55 116.19 2dlx h SER 126 Ca -0.05 0.23 0.05 0.00 -1.23 0.00 0.00 61.79 60.79 2dlx h SER 126 Cb 0.51 0.60 -0.08 0.00 -0.44 0.00 0.00 62.40 62.99 2dlx h SER 126 CO 0.08 -0.31 -0.56 0.15 -0.53 0.00 0.00 176.83 175.66 2dlx h PHE 127 N -0.18 -1.70 0.29 2.24 3.57 0.04 -1.34 116.94 119.86 2dlx h PHE 127 Ca 0.22 0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.80 2dlx h PHE 127 Cb 0.56 0.79 -0.04 0.00 2.79 0.00 0.00 35.95 40.05 2dlx h PHE 127 CO -0.65 -0.50 -0.49 -0.07 -2.23 0.00 0.00 178.31 174.36 2dlx h LEU 128 N -0.43 -1.41 -0.95 0.59 3.38 -1.23 0.18 115.31 115.43 2dlx h LEU 128 Ca 0.07 0.14 0.27 0.00 0.09 0.00 0.00 57.88 58.44 2dlx h LEU 128 Cb 0.61 0.50 -0.18 0.00 0.09 0.00 0.00 40.66 41.68 2dlx h LEU 128 CO -0.57 -0.59 0.04 -0.67 0.09 0.00 0.00 178.44 176.74 2dlx n ASP 129 N -5.52 -0.10 0.06 -0.43 2.03 -0.07 0.91 116.55 113.43 2dlx n ASP 129 Ca -0.10 1.61 -0.11 0.00 0.52 0.00 0.00 54.79 56.71 2dlx n ASP 129 Cb 0.43 -0.59 -0.08 0.00 -0.72 0.00 0.00 41.12 40.15 2dlx n ASP 129 CO 0.00 0.00 0.00 1.56 -1.92 0.00 0.00 177.20 176.84 2dlx h GLN 130 N 0.00 -0.20 0.33 -0.67 4.20 -0.55 -2.98 115.11 115.24 2dlx h GLN 130 Ca 0.58 0.01 -0.01 0.00 0.06 0.00 0.00 58.65 59.30 2dlx h GLN 130 Cb 1.22 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 29.04 2dlx h GLN 130 CO -0.89 0.23 -0.28 0.28 -0.67 0.00 0.00 178.83 177.50 2dlx h VAL 131 N -0.82 0.00 -0.98 -0.54 2.07 0.18 0.31 116.25 116.47 2dlx h VAL 131 Ca -0.02 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.63 2dlx h VAL 131 Cb 0.53 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.16 2dlx h VAL 131 CO 0.04 0.00 -0.47 0.71 0.02 0.00 0.00 177.57 177.87 2dlx h THR 132 N -0.59 0.00 -0.49 2.57 1.35 0.37 0.32 112.91 116.44 2dlx h THR 132 Ca -0.04 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.80 2dlx h THR 132 Cb 0.50 0.00 -0.02 0.00 -1.73 0.00 0.00 68.15 66.90 2dlx h THR 132 CO -0.00 0.00 0.26 1.23 -0.25 0.00 0.00 175.52 176.76 2dlx h GLY 133 N -0.01 0.75 0.67 5.82 0.00 -1.41 -2.81 103.07 106.07 2dlx h GLY 133 Ca 0.27 -0.35 0.06 0.00 0.00 0.00 0.00 47.33 47.31 2dlx h GLY 133 CO -0.96 0.33 0.40 -2.75 0.00 0.00 0.00 176.54 173.57 2dlx h PHE 134 N 0.66 0.74 -0.30 5.60 3.57 0.26 0.23 116.94 127.70 2dlx h PHE 134 Ca 0.17 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.75 2dlx h PHE 134 Cb 0.07 -0.23 -0.05 0.00 2.79 0.00 0.00 35.95 38.53 2dlx h PHE 134 CO -0.01 0.35 -0.04 -0.07 -2.23 0.00 0.00 178.31 176.31 2dlx h LEU 135 N 0.73 -0.20 -0.25 0.59 3.38 -0.28 -1.70 115.31 117.59 2dlx h LEU 135 Ca 0.32 0.08 -0.16 0.00 0.09 0.00 0.00 57.88 58.21 2dlx h LEU 135 Cb 0.20 0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.11 2dlx h LEU 135 CO -0.19 -0.06 -0.46 1.23 0.09 0.00 0.00 178.44 179.05 2dlx h GLY 136 N 0.04 0.82 0.08 0.83 0.00 -1.27 0.71 103.07 104.29 2dlx h GLY 136 Ca 0.14 -0.96 0.05 0.00 0.00 0.00 0.00 47.33 46.56 2dlx h GLY 136 CO -0.27 0.86 -0.35 0.83 0.00 0.00 0.00 176.54 177.60 2dlx h GLU 137 N 0.48 -0.40 0.00 4.80 4.39 -0.22 -3.34 114.58 120.30 2dlx h GLU 137 Ca 0.01 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.74 2dlx h GLU 137 Cb 1.07 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.81 2dlx h GLU 137 CO 0.10 -0.27 -0.57 0.72 -1.16 0.00 0.00 179.01 177.83 2dlx n HIS 138 N -5.42 0.79 0.00 4.33 8.25 -0.67 -5.09 115.22 117.41 2dlx n HIS 138 Ca -0.03 0.34 0.00 0.00 -0.26 0.00 0.00 57.72 57.77 2dlx n HIS 138 Cb 0.34 -0.73 0.00 0.00 1.12 0.00 0.00 29.99 30.72 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 1.60 2.77 3.58 -1.41 0.00 0.25 -5.00 105.19 106.97 2dlx n GLY 139 Ca -0.08 -1.78 -0.29 0.00 0.00 0.00 0.00 46.02 43.87 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 -3.83 -0.02 1.23 1.61 0.74 -1.26 -4.96 119.66 113.17 2dlx s GLN 140 Ca 0.00 1.12 -0.15 0.00 0.05 0.00 0.00 55.36 56.38 2dlx s GLN 140 Cb 0.00 -1.64 0.29 0.00 1.10 0.00 0.00 33.01 32.76 2dlx s GLN 140 CO 0.00 -3.20 0.86 1.28 -0.55 0.00 0.00 175.29 173.68 2dlx n LEU 141 N -4.59 -1.80 -2.37 3.68 4.32 -1.26 -3.68 117.00 111.31 2dlx n LEU 141 Ca 0.07 -0.30 -0.19 0.00 -0.02 0.00 0.00 56.01 55.57 2dlx n LEU 141 Cb 0.53 -1.17 0.01 0.00 -1.62 0.00 0.00 43.42 41.18 2dlx n LEU 141 CO 0.54 -3.52 -0.13 -0.67 -1.22 0.00 0.00 177.39 172.39 2dlx n ASP 142 N -4.70 -5.46 0.00 -1.43 2.03 -1.26 -4.38 116.55 101.34 2dlx n ASP 142 Ca 0.03 -0.13 0.00 0.00 0.52 0.00 0.00 54.79 55.21 2dlx n ASP 142 Cb 0.56 -4.41 0.00 0.00 -0.72 0.00 0.00 41.12 36.54 2dlx n ASP 142 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2dlx n GLY 143 N -1.21 1.47 3.64 0.27 0.00 -1.24 -4.87 105.19 103.25 2dlx n GLY 143 Ca -0.16 -0.48 -0.25 0.00 0.00 0.00 0.00 46.02 45.13 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 0.00 3.22 0.13 0.99 0.05 -1.26 -4.11 118.68 117.70 2dlx s LEU 144 Ca 0.00 -0.52 -0.19 0.00 0.05 0.00 0.00 54.13 53.47 2dlx s LEU 144 Cb 0.00 -1.82 0.01 0.00 -2.05 0.00 0.00 46.19 42.33 2dlx s LEU 144 CO 0.00 0.05 1.09 -1.20 -0.55 0.00 0.00 176.35 175.74 2dlx n SER 145 N -0.43 -0.67 -3.51 1.48 7.64 -1.26 -4.78 113.62 112.08 2dlx n SER 145 Ca -0.09 1.25 -0.23 0.00 1.01 0.00 0.00 58.87 60.81 2dlx n SER 145 Cb 0.57 -0.20 0.08 0.00 -1.01 0.00 0.00 64.21 63.65 2dlx n SER 145 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2dlx n SER 146 N -4.93 -6.29 -3.74 6.43 2.88 -1.26 -5.00 113.62 101.72 2dlx n SER 146 Ca 0.03 -0.52 -0.13 0.00 -1.33 0.00 0.00 58.87 56.91 2dlx n SER 146 Cb 0.21 -4.92 -0.10 0.00 -0.75 0.00 0.00 64.21 58.65 2dlx n SER 146 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dlx s SER 147 N -3.31 -0.38 -0.19 -3.46 0.15 -1.26 -5.07 113.70 100.18 2dlx s SER 147 Ca 0.57 0.68 -0.17 0.00 0.70 0.00 0.00 55.95 57.74 2dlx s SER 147 Cb -0.25 0.72 -0.13 0.00 -1.71 0.00 0.00 66.02 64.65 2dlx s SER 147 CO 0.71 -0.19 0.01 -1.20 1.20 0.00 0.00 173.24 173.77 2dlx n SER 148 N 2.60 1.85 -2.19 5.45 7.64 -1.26 -5.09 113.62 122.62 2dlx n SER 148 Ca -0.14 0.48 0.00 0.00 1.01 0.00 0.00 58.87 60.22 2dlx n SER 148 Cb 0.57 -0.91 0.00 0.00 -1.01 0.00 0.00 64.21 62.86 2dlx n SER 148 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dlx n GLY 149 N 1.48 -5.26 3.56 0.23 0.00 -1.26 -4.70 105.19 99.24 2dlx n GLY 149 Ca -0.25 -0.08 -0.27 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.53 2.55 0.28 1.61 0.04 -1.26 -4.90 135.00 132.80 2dlx s PRO 150 Ca 0.00 -0.24 0.03 0.00 0.04 0.00 0.00 61.00 60.83 2dlx s PRO 150 Cb 0.00 -5.03 -0.03 0.00 0.04 0.00 0.00 34.50 29.48 2dlx s PRO 150 CO 0.00 -3.35 0.24 -1.54 0.04 0.00 0.00 177.00 172.39 2dlx s SER 151 N 8.05 1.06 0.10 6.66 1.04 -1.26 -5.06 113.70 124.29 2dlx s SER 151 Ca 0.70 -1.60 0.11 0.00 0.48 0.00 0.00 55.95 55.65 2dlx s SER 151 Cb -0.07 0.50 -0.16 0.00 0.10 0.00 0.00 66.02 66.40 2dlx s SER 151 CO 0.00 -1.00 1.07 0.77 0.98 0.00 0.00 173.24 175.07 2dlx h SER 152 N 2.31 0.00 0.00 7.02 4.64 -2.00 -3.55 113.55 121.97 2dlx h SER 152 Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 2dlx h SER 152 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 2dlx h SER 152 CO 0.42 0.85 0.00 0.61 -0.87 0.00 0.00 176.83 177.84