#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 3.47 -0.16 1.61 0.15 -1.26 -5.05 113.70 112.46 2dlx s SER 2 Ca 0.00 -0.62 -0.14 0.00 0.70 0.00 0.00 55.95 55.89 2dlx s SER 2 Cb 0.00 -0.36 -0.23 0.00 -1.71 0.00 0.00 66.02 63.72 2dlx s SER 2 CO 0.00 0.21 0.30 0.28 1.20 0.00 0.00 173.24 175.23 2dlx h SER 3 N 4.18 0.23 -4.13 5.45 0.02 -2.12 -3.48 113.55 113.70 2dlx h SER 3 Ca -0.49 -0.74 -0.27 0.00 -0.84 0.00 0.00 61.79 59.45 2dlx h SER 3 Cb 1.16 -0.07 -0.26 0.00 0.14 0.00 0.00 62.40 63.36 2dlx h SER 3 CO 0.43 1.69 -0.73 -0.83 -1.14 0.00 0.00 176.83 176.24 2dlx s GLY 4 N -5.22 0.22 0.92 -3.77 0.00 -1.26 -5.15 107.32 93.06 2dlx s GLY 4 Ca -0.25 -0.29 -0.11 0.00 0.00 0.00 0.00 44.72 44.07 2dlx s GLY 4 CO 0.69 -0.29 1.10 -0.45 0.00 0.00 0.00 173.10 174.14 2dlx s SER 5 N -0.49 3.07 -0.00 1.64 0.15 -1.26 -4.97 113.70 111.84 2dlx s SER 5 Ca -0.03 1.82 -0.30 0.00 0.70 0.00 0.00 55.95 58.14 2dlx s SER 5 Cb -0.04 -2.41 -0.03 0.00 -1.71 0.00 0.00 66.02 61.83 2dlx s SER 5 CO -0.00 -2.94 0.99 -0.55 1.20 0.00 0.00 173.24 171.94 2dlx s SER 6 N -3.00 7.35 0.00 5.45 0.15 -1.26 -4.99 113.70 117.41 2dlx s SER 6 Ca 0.65 1.67 0.00 0.00 0.70 0.00 0.00 55.95 58.97 2dlx s SER 6 Cb -0.21 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.53 2dlx s SER 6 CO 0.58 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 175.36 2dlx n GLY 7 N 2.92 1.52 3.27 9.45 0.00 -1.26 -5.14 105.19 115.95 2dlx n GLY 7 Ca 0.06 -0.91 -0.36 0.00 0.00 0.00 0.00 46.02 44.81 2dlx n GLY 7 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2dlx s ILE 8 N -2.66 3.44 -0.15 -0.61 -4.36 -1.26 -5.07 121.20 110.53 2dlx s ILE 8 Ca 0.00 -0.90 -0.07 0.00 -0.26 0.00 0.00 60.65 59.42 2dlx s ILE 8 Cb 0.00 -2.79 0.06 0.00 1.25 0.00 0.00 42.46 40.98 2dlx s ILE 8 CO 0.00 0.10 0.35 -0.62 0.24 0.00 0.00 174.94 175.01 2dlx s ASP 9 N 1.40 -0.24 -0.23 4.36 2.15 -1.26 -5.05 116.67 117.79 2dlx s ASP 9 Ca 0.01 0.78 -0.19 0.00 0.43 0.00 0.00 52.55 53.58 2dlx s ASP 9 Cb -0.17 0.80 -0.16 0.00 -0.30 0.00 0.00 42.92 43.09 2dlx s ASP 9 CO -0.01 -0.20 -0.01 1.17 -0.17 0.00 0.00 175.17 175.95 2dlx n LYS 10 N 4.70 0.57 -3.54 4.34 0.00 -1.26 -5.06 118.16 117.90 2dlx n LYS 10 Ca -0.18 0.46 -0.10 0.00 0.00 0.00 0.00 58.31 58.50 2dlx n LYS 10 Cb 0.52 -1.65 -0.04 0.00 0.00 0.00 0.00 35.03 33.87 2dlx n LYS 10 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 2dlx s LYS 11 N -2.42 0.70 -0.08 1.64 2.20 -1.26 -5.16 119.74 115.35 2dlx s LYS 11 Ca -0.32 -0.06 0.02 0.00 -0.36 0.00 0.00 55.97 55.25 2dlx s LYS 11 Cb 0.09 0.32 0.01 0.00 -1.51 0.00 0.00 37.83 36.75 2dlx s LYS 11 CO 0.54 -0.26 -0.13 -0.48 -0.36 0.00 0.00 175.35 174.66 2dlx s LEU 12 N -1.76 1.65 -0.04 5.43 2.34 -1.26 -5.12 118.68 119.91 2dlx s LEU 12 Ca 0.01 -0.35 -0.30 0.00 0.06 0.00 0.00 54.13 53.56 2dlx s LEU 12 Cb -0.01 -0.94 0.11 0.00 -0.56 0.00 0.00 46.19 44.80 2dlx s LEU 12 CO -0.03 0.02 0.93 0.28 -1.06 0.00 0.00 176.35 176.49 2dlx s THR 13 N 0.81 0.00 -0.04 5.48 -1.32 -1.26 -5.13 115.64 114.18 2dlx s THR 13 Ca -0.11 0.00 -0.30 0.00 -1.21 0.00 0.00 61.69 60.07 2dlx s THR 13 Cb -0.15 -1.00 -0.06 0.00 -1.51 0.00 0.00 72.50 69.78 2dlx s THR 13 CO 0.02 0.00 1.69 0.42 -2.21 0.00 0.00 174.62 174.54 2dlx s THR 14 N -2.75 3.51 -0.09 5.08 -4.23 -1.26 -4.92 115.64 110.97 2dlx s THR 14 Ca 0.04 0.61 -0.29 0.00 -1.18 0.00 0.00 61.69 60.87 2dlx s THR 14 Cb -0.01 -3.40 -0.06 0.00 1.34 0.00 0.00 72.50 70.38 2dlx s THR 14 CO -0.07 -0.05 1.83 -0.76 -0.54 0.00 0.00 174.62 175.03 2dlx s LEU 15 N 4.08 4.12 0.26 4.79 1.43 -1.26 -4.95 118.68 127.14 2dlx s LEU 15 Ca 0.75 2.18 -0.09 0.00 -1.03 0.00 0.00 54.13 55.94 2dlx s LEU 15 Cb -0.35 -3.53 -0.01 0.00 0.03 0.00 0.00 46.19 42.34 2dlx s LEU 15 CO 0.31 -1.21 0.42 0.00 0.23 0.00 0.00 176.35 176.10 2dlx s ALA 16 N 5.12 0.17 0.83 4.21 0.00 -1.26 -5.18 121.76 125.66 2dlx s ALA 16 Ca 0.82 -1.13 -0.07 0.00 0.00 0.00 0.00 51.96 51.58 2dlx s ALA 16 Cb -0.34 1.14 0.17 0.00 0.00 0.00 0.00 23.12 24.08 2dlx s ALA 16 CO 0.34 -0.80 1.14 -0.51 0.00 0.00 0.00 175.76 175.94 2dlx s ASP 17 N -3.08 3.73 -0.40 0.00 1.01 -1.26 -5.06 116.67 111.61 2dlx s ASP 17 Ca 0.27 -0.19 -0.06 0.00 0.71 0.00 0.00 52.55 53.27 2dlx s ASP 17 Cb 0.01 0.01 0.08 0.00 1.01 0.00 0.00 42.92 44.03 2dlx s ASP 17 CO 0.11 -2.30 0.20 -1.48 0.21 0.00 0.00 175.17 171.92 2dlx s LEU 18 N -5.47 4.98 -0.11 1.23 2.34 -1.26 -4.89 118.68 115.50 2dlx s LEU 18 Ca 0.71 -1.60 0.02 0.00 0.06 0.00 0.00 54.13 53.32 2dlx s LEU 18 Cb -0.04 -1.90 -0.08 0.00 -0.56 0.00 0.00 46.19 43.60 2dlx s LEU 18 CO 0.48 -0.49 -0.08 0.49 -1.06 0.00 0.00 176.35 175.69 2dlx n PHE 19 N 4.79 0.00 -4.52 3.48 3.01 -1.26 -5.02 117.46 117.94 2dlx n PHE 19 Ca -0.09 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 58.05 2dlx n PHE 19 Cb 0.43 -0.45 -0.11 0.00 -0.01 0.00 0.00 39.48 39.33 2dlx n PHE 19 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 2dlx s ARG 20 N -2.23 2.54 0.33 -1.08 0.52 -1.26 -5.11 118.95 112.66 2dlx s ARG 20 Ca -0.14 -0.72 -0.28 0.00 -0.52 0.00 0.00 55.73 54.07 2dlx s ARG 20 Cb 0.04 -2.48 -0.10 0.00 0.52 0.00 0.00 34.95 32.93 2dlx s ARG 20 CO 0.29 0.61 1.22 -1.25 0.02 0.00 0.00 175.30 176.19 2dlx s PRO 21 N -1.30 4.36 0.00 3.54 0.04 -1.26 -4.89 135.00 135.49 2dlx s PRO 21 Ca 0.16 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.22 2dlx s PRO 21 Cb -0.11 -3.01 0.00 0.00 0.04 0.00 0.00 34.50 31.42 2dlx s PRO 21 CO 0.06 -0.11 0.39 -0.35 0.04 0.00 0.00 177.00 177.03 2dlx n PRO 22 N 0.74 0.49 -0.20 0.56 -0.04 -1.26 -4.27 135.00 131.01 2dlx n PRO 22 Ca 0.01 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.59 2dlx n PRO 22 Cb 0.44 -1.10 0.24 0.00 -0.04 0.00 0.00 33.50 33.04 2dlx n PRO 22 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 2dlx n ILE 23 N -0.20 -0.25 -4.40 0.52 -6.64 -1.26 -4.69 119.36 102.44 2dlx n ILE 23 Ca 0.00 1.29 -0.36 0.00 -1.77 0.00 0.00 62.75 61.90 2dlx n ILE 23 Cb 0.05 -1.95 -0.08 0.00 -1.44 0.00 0.00 39.64 36.22 2dlx n ILE 23 CO 0.00 0.00 0.00 -0.67 -1.77 0.00 0.00 176.55 174.11 2dlx n ASP 24 N -4.63 -0.66 -3.90 7.28 2.03 -1.26 0.11 116.55 115.52 2dlx n ASP 24 Ca 0.17 -1.23 -0.28 0.00 0.52 0.00 0.00 54.79 53.96 2dlx n ASP 24 Cb 0.57 -1.76 0.02 0.00 -0.72 0.00 0.00 41.12 39.23 2dlx n ASP 24 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2dlx n LEU 25 N -4.33 -2.57 -4.81 -2.67 7.99 -1.26 -4.94 117.00 104.42 2dlx n LEU 25 Ca -0.10 -0.83 -0.36 0.00 -0.01 0.00 0.00 56.01 54.72 2dlx n LEU 25 Cb 0.57 -2.51 -0.06 0.00 -0.11 0.00 0.00 43.42 41.31 2dlx n LEU 25 CO 0.90 0.44 0.51 -0.04 -1.51 0.00 0.00 177.39 177.69 2dlx s MET 26 N -6.51 4.33 0.35 3.23 -1.94 0.31 -4.63 119.30 114.44 2dlx s MET 26 Ca 0.48 1.01 0.03 0.00 -1.71 0.00 0.00 55.69 55.51 2dlx s MET 26 Cb -0.24 -2.76 -0.04 0.00 2.01 0.00 0.00 34.83 33.80 2dlx s MET 26 CO 0.84 0.31 0.12 -1.58 -0.01 0.00 0.00 175.02 174.70 2dlx s HIS 27 N -1.64 1.76 -0.26 -0.03 2.46 -1.26 -5.07 115.29 111.25 2dlx s HIS 27 Ca 0.48 -1.23 -0.35 0.00 0.47 0.00 0.00 55.06 54.42 2dlx s HIS 27 Cb -0.16 -1.09 -0.12 0.00 -0.13 0.00 0.00 32.58 31.08 2dlx s HIS 27 CO 0.21 -0.29 2.02 1.17 -2.47 0.00 0.00 174.74 175.38 2dlx n LYS 28 N -0.74 1.44 -2.16 2.88 4.81 -1.26 -4.83 118.16 118.29 2dlx n LYS 28 Ca -0.03 0.47 -0.32 0.00 -0.87 0.00 0.00 58.31 57.56 2dlx n LYS 28 Cb 0.65 -2.49 -0.04 0.00 0.02 0.00 0.00 35.03 33.17 2dlx n LYS 28 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 2dlx s GLY 29 N 5.78 0.41 -0.25 3.14 0.00 -1.26 -4.64 107.32 110.51 2dlx s GLY 29 Ca 1.02 -1.53 -0.14 0.00 0.00 0.00 0.00 44.72 44.08 2dlx s GLY 29 CO 0.52 3.29 0.60 -0.56 0.00 0.00 0.00 173.10 176.96 2dlx s SER 30 N 7.29 -0.81 0.15 1.64 0.01 -1.26 -5.05 113.70 115.67 2dlx s SER 30 Ca 0.64 1.32 -0.15 0.00 1.31 0.00 0.00 55.95 59.07 2dlx s SER 30 Cb -0.06 1.21 0.03 0.00 0.21 0.00 0.00 66.02 67.40 2dlx s SER 30 CO 0.01 -0.23 1.72 0.15 0.41 0.00 0.00 173.24 175.30 2dlx h PHE 31 N 7.06 0.70 0.09 2.43 3.04 -2.00 -0.36 116.94 127.91 2dlx h PHE 31 Ca -0.32 -0.04 -0.00 0.00 3.98 0.00 0.00 57.97 61.59 2dlx h PHE 31 Cb 1.21 -0.21 0.00 0.00 2.56 0.00 0.00 35.95 39.51 2dlx h PHE 31 CO 0.11 0.57 -0.04 1.49 -2.02 0.00 0.00 178.31 178.42 2dlx h GLU 32 N 0.62 -0.12 0.28 1.11 4.81 -1.98 -3.26 114.58 116.05 2dlx h GLU 32 Ca 0.16 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 2dlx h GLU 32 Cb 0.15 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.53 2dlx h GLU 32 CO -0.02 0.23 -0.36 1.15 -0.73 0.00 0.00 179.01 179.28 2dlx h THR 33 N -0.49 0.26 -0.71 0.32 2.02 -1.91 -0.35 112.91 112.05 2dlx h THR 33 Ca -0.01 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.30 2dlx h THR 33 Cb 0.41 0.26 -0.13 0.00 -1.74 0.00 0.00 68.15 66.95 2dlx h THR 33 CO 0.02 0.00 -0.22 0.00 0.37 0.00 0.00 175.52 175.69 2dlx n ALA 34 N -2.69 0.06 -0.04 6.16 0.00 -0.15 0.68 120.51 124.53 2dlx n ALA 34 Ca -0.09 0.75 -0.15 0.00 0.00 0.00 0.00 53.44 53.96 2dlx n ALA 34 Cb 0.36 -0.40 -0.09 0.00 0.00 0.00 0.00 19.45 19.32 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 0.32 -0.09 0.00 1.57 -1.51 -3.29 116.57 113.56 2dlx h LYS 35 Ca 0.30 -0.24 0.04 0.00 -1.87 0.00 0.00 60.65 58.88 2dlx h LYS 35 Cb 0.48 0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.77 2dlx h LYS 35 CO -0.72 0.87 -0.43 0.93 -0.57 0.00 0.00 179.45 179.52 2dlx h GLU 36 N -0.17 -0.51 -0.98 3.15 4.39 0.20 -1.83 114.58 118.83 2dlx h GLU 36 Ca -0.01 0.03 0.19 0.00 0.34 0.00 0.00 59.36 59.91 2dlx h GLU 36 Cb 0.90 0.12 -0.18 0.00 -0.10 0.00 0.00 28.75 29.48 2dlx h GLU 36 CO 0.06 -0.34 -0.27 0.00 -1.16 0.00 0.00 179.01 177.30 2dlx h GLY 38 N -0.00 1.72 0.25 0.00 0.00 -1.40 0.51 103.07 104.14 2dlx h GLY 38 Ca 0.45 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 47.42 2dlx h GLY 38 CO -1.00 -0.07 -0.12 1.46 0.00 0.00 0.00 176.54 176.81 2dlx h GLN 39 N 0.72 -0.32 0.19 4.80 4.20 0.73 1.09 115.11 126.53 2dlx h GLN 39 Ca 0.58 0.02 0.01 0.00 0.06 0.00 0.00 58.65 59.32 2dlx h GLN 39 Cb 0.96 0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.78 2dlx h GLN 39 CO -0.37 -0.21 -0.34 0.52 -0.67 0.00 0.00 178.83 177.76 2dlx h MET 40 N -0.43 -0.59 0.00 1.46 2.86 -1.24 -1.27 114.93 115.73 2dlx h MET 40 Ca -0.03 0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 2dlx h MET 40 Cb 0.25 0.13 -0.00 0.00 0.06 0.00 0.00 31.60 32.05 2dlx h MET 40 CO 0.06 -0.39 -0.06 1.96 1.06 0.00 0.00 176.91 179.54 2dlx h GLN 41 N -0.61 0.00 -5.19 1.72 1.08 -0.10 -3.47 115.11 108.53 2dlx h GLN 41 Ca 0.01 0.00 -0.30 0.00 -1.45 0.00 0.00 58.65 56.91 2dlx h GLN 41 Cb 0.61 0.00 0.14 0.00 -0.05 0.00 0.00 27.48 28.18 2dlx h GLN 41 CO -0.15 0.06 -0.65 0.09 -0.95 0.00 0.00 178.83 177.22 2dlx n ASN 42 N -3.24 -2.88 -4.18 1.46 4.13 0.35 -5.00 115.26 105.90 2dlx n ASN 42 Ca -0.01 -0.53 -0.15 0.00 1.68 0.00 0.00 54.58 55.58 2dlx n ASN 42 Cb 0.26 -4.52 -0.11 0.00 -1.54 0.00 0.00 39.78 33.88 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 -5.40 0.85 1.23 3.52 1.02 0.18 -4.15 119.74 117.00 2dlx s LYS 43 Ca 0.11 -1.14 -0.17 0.00 0.02 0.00 0.00 55.97 54.80 2dlx s LYS 43 Cb -0.05 -0.57 0.30 0.00 -0.52 0.00 0.00 37.83 36.99 2dlx s LYS 43 CO 0.64 0.09 1.01 -1.58 -0.92 0.00 0.00 175.35 174.59 2dlx s TRP 44 N -2.32 0.76 -0.11 3.18 0.52 0.37 -4.26 118.94 117.07 2dlx s TRP 44 Ca 0.05 0.87 0.03 0.00 0.02 0.00 0.00 56.10 57.06 2dlx s TRP 44 Cb -0.04 -3.10 0.01 0.00 -1.15 0.00 0.00 33.47 29.19 2dlx s TRP 44 CO 0.00 -4.12 -0.19 -1.17 0.02 0.00 0.00 176.95 171.49 2dlx s LEU 45 N -7.29 1.94 -0.27 2.99 2.96 -1.14 -1.43 118.68 116.43 2dlx s LEU 45 Ca 0.68 -0.51 0.00 0.00 -0.22 0.00 0.00 54.13 54.08 2dlx s LEU 45 Cb -0.19 -1.27 0.05 0.00 0.50 0.00 0.00 46.19 45.28 2dlx s LEU 45 CO 0.61 0.07 -0.06 -0.32 -1.32 0.00 0.00 176.35 175.33 2dlx s MET 46 N 0.76 2.44 -0.02 1.98 -2.45 -1.00 -2.36 119.30 118.65 2dlx s MET 46 Ca -0.10 -1.24 0.01 0.00 -1.25 0.00 0.00 55.69 53.11 2dlx s MET 46 Cb -0.16 -3.02 -0.03 0.00 1.25 0.00 0.00 34.83 32.87 2dlx s MET 46 CO 0.01 -0.55 -0.02 0.42 1.05 0.00 0.00 175.02 175.93 2dlx s ILE 47 N 1.20 4.01 -0.22 10.11 1.01 -1.24 -1.97 121.20 134.11 2dlx s ILE 47 Ca -0.06 -0.59 -0.04 0.00 0.00 0.00 0.00 60.65 59.96 2dlx s ILE 47 Cb -0.19 -2.75 0.11 0.00 0.01 0.00 0.00 42.46 39.64 2dlx s ILE 47 CO -0.04 0.43 0.39 0.21 0.00 0.00 0.00 174.94 175.93 2dlx s ASN 48 N -1.37 0.07 -0.31 3.58 3.04 -0.87 -3.94 114.94 115.14 2dlx s ASN 48 Ca 0.17 0.52 -0.28 0.00 0.04 0.00 0.00 52.86 53.32 2dlx s ASN 48 Cb -0.11 1.18 0.01 0.00 -1.54 0.00 0.00 41.25 40.79 2dlx s ASN 48 CO 0.08 -0.27 1.02 -0.63 -3.04 0.00 0.00 177.10 174.26 2dlx s ILE 49 N 2.56 4.57 -0.14 -5.21 -1.09 -1.26 -3.81 121.20 116.82 2dlx s ILE 49 Ca 0.07 1.64 -0.29 0.00 -2.23 0.00 0.00 60.65 59.84 2dlx s ILE 49 Cb -0.14 -4.37 -0.01 0.00 -1.58 0.00 0.00 42.46 36.37 2dlx s ILE 49 CO -0.14 -0.43 1.09 0.00 -1.23 0.00 0.00 174.94 174.23 2dlx s GLN 50 N 3.51 4.33 0.11 2.79 -2.07 -1.25 -4.78 119.66 122.30 2dlx s GLN 50 Ca 0.43 1.47 -0.30 0.00 -1.82 0.00 0.00 55.36 55.14 2dlx s GLN 50 Cb -0.13 -3.61 -0.06 0.00 -1.09 0.00 0.00 33.01 28.13 2dlx s GLN 50 CO 0.15 -0.49 1.08 -0.80 -1.32 0.00 0.00 175.29 173.91 2dlx s ASN 51 N 1.33 7.27 0.03 12.60 0.01 -1.26 -4.06 114.94 130.86 2dlx s ASN 51 Ca 0.49 1.95 0.10 0.00 -0.71 0.00 0.00 52.86 54.69 2dlx s ASN 51 Cb -0.19 -2.59 -0.22 0.00 0.41 0.00 0.00 41.25 38.66 2dlx s ASN 51 CO 0.15 -0.27 0.96 -0.37 -1.51 0.00 0.00 177.10 176.05 2dlx h VAL 52 N 4.17 1.26 0.02 1.60 -1.51 -2.01 -3.39 116.25 116.38 2dlx h VAL 52 Ca -0.43 -3.05 -0.40 0.00 -1.23 0.00 0.00 66.70 61.60 2dlx h VAL 52 Cb 1.21 2.63 -0.06 0.00 -2.13 0.00 0.00 31.29 32.94 2dlx h VAL 52 CO 0.75 0.73 -2.33 0.00 -1.23 0.00 0.00 177.57 175.49 2dlx n GLN 53 N -3.20 0.64 -2.74 5.19 10.64 -1.26 -4.87 117.38 121.77 2dlx n GLN 53 Ca -0.09 0.24 -0.43 0.00 -1.83 0.00 0.00 57.00 54.90 2dlx n GLN 53 Cb 1.00 -1.56 -0.03 0.00 -0.86 0.00 0.00 30.24 28.79 2dlx n GLN 53 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 2dlx s ASP 54 N -6.95 6.77 0.00 2.61 1.11 -1.26 -4.89 116.67 114.06 2dlx s ASP 54 Ca -0.34 0.76 0.08 0.00 0.18 0.00 0.00 52.55 53.23 2dlx s ASP 54 Cb 0.10 -2.49 0.49 0.00 1.07 0.00 0.00 42.92 42.09 2dlx s ASP 54 CO 0.59 -0.87 1.22 0.49 1.18 0.00 0.00 175.17 177.78 2dlx n PHE 55 N 6.82 0.00 -0.20 4.23 3.72 -1.26 -3.98 117.46 126.79 2dlx n PHE 55 Ca 0.09 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.50 2dlx n PHE 55 Cb 0.48 0.00 0.10 0.00 -0.94 0.00 0.00 39.48 39.12 2dlx n PHE 55 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2dlx h ALA 56 N 3.07 0.64 -0.08 4.37 0.00 -1.92 -1.62 119.26 123.72 2dlx h ALA 56 Ca 0.00 0.17 0.03 0.00 0.00 0.00 0.00 54.91 55.11 2dlx h ALA 56 Cb 0.00 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 2dlx h ALA 56 CO 0.00 -0.37 -0.09 0.00 0.00 0.00 0.00 179.25 178.79 2dlx h GLN 58 N -0.11 -0.06 -0.71 0.00 1.08 -1.58 0.21 115.11 113.93 2dlx h GLN 58 Ca 0.06 0.00 0.20 0.00 -1.45 0.00 0.00 58.65 57.47 2dlx h GLN 58 Cb 0.20 0.01 -0.13 0.00 -0.05 0.00 0.00 27.48 27.51 2dlx h GLN 58 CO -0.15 -0.04 0.02 0.00 -0.95 0.00 0.00 178.83 177.71 2dlx h LEU 60 N 0.00 -0.21 -0.48 0.00 4.07 -0.67 -2.34 115.31 115.68 2dlx h LEU 60 Ca 0.44 -0.17 0.00 0.00 0.08 0.00 0.00 57.88 58.23 2dlx h LEU 60 Cb 0.91 0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.70 2dlx h LEU 60 CO -0.67 0.05 0.29 -3.20 -1.08 0.00 0.00 178.44 173.83 2dlx n ASN 61 N -5.10 0.19 0.13 -0.43 5.15 0.31 0.55 115.26 116.06 2dlx n ASN 61 Ca -0.09 0.43 -0.06 0.00 -0.60 0.00 0.00 54.58 54.26 2dlx n ASN 61 Cb 0.20 -0.39 -0.03 0.00 -0.53 0.00 0.00 39.78 39.03 2dlx n ASN 61 CO 0.00 0.00 0.00 -0.09 1.40 0.00 0.00 177.26 178.57 2dlx h ARG 62 N 0.00 -0.36 0.00 1.20 9.65 -0.80 -3.16 114.38 120.91 2dlx h ARG 62 Ca 0.00 0.02 -0.04 0.00 -1.10 0.00 0.00 59.98 58.87 2dlx h ARG 62 Cb 0.57 0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 29.23 2dlx h ARG 62 CO 0.00 -0.24 -1.14 -0.25 2.80 0.00 0.00 179.97 181.13 2dlx n ASP 63 N -4.17 3.94 0.00 -3.80 8.00 -0.69 -4.24 116.55 115.58 2dlx n ASP 63 Ca -0.05 -0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.44 2dlx n ASP 63 Cb 0.15 0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.32 2dlx n ASP 63 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2dlx n VAL 64 N -2.48 0.00 -0.01 2.53 0.31 0.19 -1.55 118.33 117.32 2dlx n VAL 64 Ca -0.04 1.44 -0.17 0.00 -0.01 0.00 0.00 64.34 65.56 2dlx n VAL 64 Cb 0.55 -2.20 -0.11 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 0.51 -1.33 3.52 -0.00 -1.59 -3.25 115.95 113.81 2dlx h TRP 65 Ca 0.00 -0.27 0.44 0.00 -0.00 0.00 0.00 58.89 59.06 2dlx h TRP 65 Cb 0.00 -0.06 -0.13 0.00 -0.00 0.00 0.00 29.16 28.97 2dlx h TRP 65 CO -0.31 1.08 0.86 1.03 -0.00 0.00 0.00 178.44 181.10 2dlx h SER 66 N -0.21 0.24 -1.13 -3.49 0.87 -1.61 -3.39 113.55 104.83 2dlx h SER 66 Ca -0.06 0.14 -0.56 0.00 -1.23 0.00 0.00 61.79 60.08 2dlx h SER 66 Cb 1.21 0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 63.28 2dlx h SER 66 CO 0.10 -0.19 1.57 -3.20 -0.53 0.00 0.00 176.83 174.58 2dlx n ASN 67 N -4.69 1.93 -0.30 6.23 2.85 -0.60 -4.80 115.26 115.88 2dlx n ASN 67 Ca 0.38 0.03 0.03 0.00 -0.11 0.00 0.00 54.58 54.90 2dlx n ASN 67 Cb 1.45 -1.33 0.11 0.00 1.24 0.00 0.00 39.78 41.24 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 15.07 -0.00 -0.95 1.20 4.81 -1.91 0.54 114.58 133.34 2dlx h GLU 68 Ca -0.23 0.00 0.26 0.00 -0.13 0.00 0.00 59.36 59.26 2dlx h GLU 68 Cb 1.29 0.00 -0.14 0.00 0.63 0.00 0.00 28.75 30.54 2dlx h GLU 68 CO 1.14 -0.00 0.45 0.00 -0.73 0.00 0.00 179.01 179.86 2dlx h ALA 69 N 1.82 1.63 -0.36 2.92 0.00 -1.91 0.43 119.26 123.79 2dlx h ALA 69 Ca 0.40 0.18 -0.13 0.00 0.00 0.00 0.00 54.91 55.37 2dlx h ALA 69 Cb 0.62 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 2dlx h ALA 69 CO -0.88 -0.43 -0.29 0.28 0.00 0.00 0.00 179.25 177.93 2dlx h VAL 70 N 0.36 1.28 -0.55 0.00 2.07 -0.22 -2.68 116.25 116.51 2dlx h VAL 70 Ca 0.63 -1.43 -0.07 0.00 0.82 0.00 0.00 66.70 66.66 2dlx h VAL 70 Cb 1.30 1.31 -0.02 0.00 -1.52 0.00 0.00 31.29 32.36 2dlx h VAL 70 CO -0.57 0.47 0.09 0.11 0.02 0.00 0.00 177.57 177.68 2dlx h LYS 71 N 0.65 0.91 0.00 1.57 1.57 0.31 0.64 116.57 122.21 2dlx h LYS 71 Ca 0.08 -0.25 -0.05 0.00 -1.87 0.00 0.00 60.65 58.56 2dlx h LYS 71 Cb 0.81 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.01 2dlx h LYS 71 CO 0.07 0.88 -0.22 -0.91 -0.57 0.00 0.00 179.45 178.70 2dlx h ASN 72 N 0.80 0.00 0.18 0.86 2.35 -0.93 -1.69 115.58 117.14 2dlx h ASN 72 Ca 0.17 0.00 -0.28 0.00 -0.55 0.00 0.00 56.30 55.64 2dlx h ASN 72 Cb 0.41 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.80 2dlx h ASN 72 CO 0.01 0.22 -1.30 0.40 -1.65 0.00 0.00 177.43 175.11 2dlx h ILE 73 N 0.00 1.24 0.00 2.81 2.04 -1.11 -1.84 117.51 120.65 2dlx h ILE 73 Ca -0.00 -2.55 0.00 0.00 1.00 0.00 0.00 64.86 63.30 2dlx h ILE 73 Cb 0.43 2.98 0.00 0.00 -0.74 0.00 0.00 36.82 39.49 2dlx h ILE 73 CO 0.03 0.77 0.00 -0.38 0.00 0.00 0.00 178.15 178.57 2dlx n ILE 74 N -3.87 0.12 -0.05 -0.67 5.41 0.18 -0.55 119.36 119.93 2dlx n ILE 74 Ca -0.19 0.03 -0.06 0.00 1.00 0.00 0.00 62.75 63.53 2dlx n ILE 74 Cb 0.97 -0.67 -0.06 0.00 -0.71 0.00 0.00 39.64 39.17 2dlx n ILE 74 CO 0.00 0.00 0.00 -2.11 0.00 0.00 0.00 176.55 174.44 2dlx n ARG 75 N -1.11 1.50 -0.10 0.38 1.85 -0.65 -1.34 116.66 117.19 2dlx n ARG 75 Ca 0.15 0.03 -0.17 0.00 -1.00 0.00 0.00 57.85 56.85 2dlx n ARG 75 Cb 0.12 -1.23 -0.08 0.00 -1.05 0.00 0.00 32.46 30.22 2dlx n ARG 75 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71 2dlx n GLU 76 N -2.57 0.54 -0.01 2.89 2.13 -0.69 -4.55 120.64 118.38 2dlx n GLU 76 Ca -0.17 0.46 -0.18 0.00 0.66 0.00 0.00 57.16 57.92 2dlx n GLU 76 Cb 0.76 -1.64 -0.09 0.00 0.27 0.00 0.00 31.44 30.74 2dlx n GLU 76 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2dlx h HIS 77 N -1.00 0.88 -2.23 4.31 3.86 -1.01 -3.45 115.15 116.51 2dlx h HIS 77 Ca -0.29 -0.42 -0.56 0.00 -1.16 0.00 0.00 60.37 57.94 2dlx h HIS 77 Cb 1.12 -0.12 -0.13 0.00 1.06 0.00 0.00 27.41 29.34 2dlx h HIS 77 CO -0.09 1.24 -0.55 -0.06 0.86 0.00 0.00 177.93 179.33 2dlx s PHE 78 N -3.55 1.92 -0.33 2.45 0.40 -0.60 -0.48 117.98 117.79 2dlx s PHE 78 Ca -0.11 -1.07 -0.05 0.00 -0.60 0.00 0.00 56.93 55.10 2dlx s PHE 78 Cb 0.06 -1.33 0.05 0.00 0.51 0.00 0.00 43.02 42.31 2dlx s PHE 78 CO 0.87 -0.04 0.09 0.42 0.70 0.00 0.00 175.22 177.26 2dlx s ILE 79 N -3.14 3.56 -0.04 0.64 -1.09 -0.51 -2.51 121.20 118.10 2dlx s ILE 79 Ca 0.26 -1.26 -0.29 0.00 -2.23 0.00 0.00 60.65 57.13 2dlx s ILE 79 Cb 0.05 -3.05 -0.08 0.00 -1.58 0.00 0.00 42.46 37.80 2dlx s ILE 79 CO 0.13 -0.20 2.05 0.12 -1.23 0.00 0.00 174.94 175.81 2dlx s PHE 80 N 1.35 1.23 -0.21 3.97 2.19 -0.45 -2.37 117.98 123.69 2dlx s PHE 80 Ca -0.02 -0.16 -0.04 0.00 0.33 0.00 0.00 56.93 57.04 2dlx s PHE 80 Cb -0.20 -4.15 0.08 0.00 -1.31 0.00 0.00 43.02 37.44 2dlx s PHE 80 CO 0.01 -5.14 0.12 -0.46 1.83 0.00 0.00 175.22 171.59 2dlx s TRP 81 N 5.67 0.15 -0.10 10.12 -0.00 -0.83 -4.03 118.94 129.92 2dlx s TRP 81 Ca 0.92 -0.40 0.02 0.00 -0.00 0.00 0.00 56.10 56.65 2dlx s TRP 81 Cb -0.40 -0.70 0.01 0.00 -0.00 0.00 0.00 33.47 32.38 2dlx s TRP 81 CO 0.40 -0.62 -0.16 -1.14 -0.00 0.00 0.00 176.95 175.42 2dlx s GLN 82 N 2.16 2.27 -0.03 5.86 0.74 -1.26 -2.05 119.66 127.35 2dlx s GLN 82 Ca 0.05 -0.59 -0.01 0.00 0.05 0.00 0.00 55.36 54.85 2dlx s GLN 82 Cb -0.16 -1.88 0.02 0.00 1.10 0.00 0.00 33.01 32.10 2dlx s GLN 82 CO -0.18 -0.00 0.07 0.14 -0.55 0.00 0.00 175.29 174.77 2dlx s VAL 83 N 0.81 -0.03 0.37 1.34 -7.23 -1.25 -4.99 120.40 109.42 2dlx s VAL 83 Ca -0.10 0.12 -0.27 0.00 -1.81 0.00 0.00 61.98 59.92 2dlx s VAL 83 Cb -0.16 -0.12 -0.12 0.00 0.56 0.00 0.00 36.38 36.55 2dlx s VAL 83 CO 0.01 0.05 1.18 -1.22 -0.31 0.00 0.00 175.10 174.81 2dlx n TYR 84 N 3.72 1.84 -0.14 2.82 4.01 -1.26 -3.94 117.16 124.21 2dlx n TYR 84 Ca -0.21 0.57 -0.09 0.00 -0.16 0.00 0.00 57.90 58.01 2dlx n TYR 84 Cb 0.54 -2.34 -0.00 0.00 -0.31 0.00 0.00 39.34 37.23 2dlx n TYR 84 CO 0.00 0.00 0.00 1.12 -0.46 0.00 0.00 176.86 177.52 2dlx h HIS 85 N 2.12 0.62 -0.71 -0.72 2.07 -1.89 -2.87 115.15 113.77 2dlx h HIS 85 Ca -0.45 -0.04 0.14 0.00 -2.85 0.00 0.00 60.37 57.17 2dlx h HIS 85 Cb 1.31 -0.19 -0.10 0.00 2.57 0.00 0.00 27.41 31.00 2dlx h HIS 85 CO 0.48 0.53 0.19 0.38 -3.07 0.00 0.00 177.93 176.44 2dlx h ASP 86 N 0.53 0.07 -3.27 3.10 2.03 -1.91 -1.51 116.42 115.45 2dlx h ASP 86 Ca 0.14 0.13 -0.50 0.00 -0.73 0.00 0.00 57.03 56.07 2dlx h ASP 86 Cb 0.16 0.16 0.22 0.00 -0.83 0.00 0.00 39.33 39.04 2dlx h ASP 86 CO -0.01 0.01 -0.51 -1.54 -1.03 0.00 0.00 179.24 176.15 2dlx n SER 87 N -5.11 -1.73 0.34 4.15 3.41 -1.09 -4.71 113.62 108.88 2dlx n SER 87 Ca 0.13 0.19 -0.19 0.00 -0.26 0.00 0.00 58.87 58.74 2dlx n SER 87 Cb 0.42 -1.20 -0.10 0.00 -0.26 0.00 0.00 64.21 63.07 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 -1.85 -1.02 -0.36 4.33 4.39 -1.85 -2.58 114.58 115.63 2dlx h GLU 88 Ca -0.48 0.07 0.06 0.00 0.34 0.00 0.00 59.36 59.36 2dlx h GLU 88 Cb 1.30 0.23 -0.09 0.00 -0.10 0.00 0.00 28.75 30.10 2dlx h GLU 88 CO 0.38 -0.68 -0.46 0.93 -1.16 0.00 0.00 179.01 178.02 2dlx h GLU 89 N -1.06 -0.36 -0.65 2.33 4.39 -1.90 -2.40 114.58 114.93 2dlx h GLU 89 Ca -0.07 0.02 0.06 0.00 0.34 0.00 0.00 59.36 59.71 2dlx h GLU 89 Cb 0.90 0.08 -0.09 0.00 -0.10 0.00 0.00 28.75 29.54 2dlx h GLU 89 CO -0.01 -0.24 -0.49 0.78 -1.16 0.00 0.00 179.01 177.89 2dlx h GLY 90 N -0.37 -1.13 -0.83 -3.84 0.00 -1.50 0.18 103.07 95.58 2dlx h GLY 90 Ca 0.11 0.81 0.18 0.00 0.00 0.00 0.00 47.33 48.43 2dlx h GLY 90 CO -0.55 -0.15 -0.24 1.46 0.00 0.00 0.00 176.54 177.06 2dlx h GLN 91 N -0.14 -0.00 -0.38 4.80 1.08 -0.76 0.10 115.11 119.81 2dlx h GLN 91 Ca 0.11 0.00 0.07 0.00 -1.45 0.00 0.00 58.65 57.38 2dlx h GLN 91 Cb 0.41 0.00 -0.09 0.00 -0.05 0.00 0.00 27.48 27.76 2dlx h GLN 91 CO -0.69 -0.00 -0.38 0.00 -0.95 0.00 0.00 178.83 176.81 2dlx h ARG 92 N -0.00 -0.29 -0.79 1.46 2.47 -0.71 -0.58 114.38 115.93 2dlx h ARG 92 Ca 0.43 0.02 0.18 0.00 -1.26 0.00 0.00 59.98 59.36 2dlx h ARG 92 Cb 0.66 0.07 -0.14 0.00 -1.65 0.00 0.00 29.97 28.91 2dlx h ARG 92 CO -0.94 -0.20 0.03 -0.92 0.56 0.00 0.00 179.97 178.50 2dlx h TYR 93 N -0.30 -0.01 0.05 3.04 3.20 -0.52 0.45 116.97 122.88 2dlx h TYR 93 Ca 0.15 0.06 0.01 0.00 3.14 0.00 0.00 58.73 62.09 2dlx h TYR 93 Cb 0.57 0.13 -0.04 0.00 1.54 0.00 0.00 36.73 38.92 2dlx h TYR 93 CO -0.57 -0.25 -0.44 0.82 -1.64 0.00 0.00 178.16 176.08 2dlx h ILE 94 N 0.11 0.00 -0.88 1.81 2.04 -0.87 -1.59 117.51 118.12 2dlx h ILE 94 Ca 0.44 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.39 2dlx h ILE 94 Cb 0.80 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.81 2dlx h ILE 94 CO -0.68 0.00 0.57 1.56 0.00 0.00 0.00 178.15 179.60 2dlx h GLN 95 N -0.58 0.86 -0.27 2.37 1.08 -1.05 1.85 115.11 119.36 2dlx h GLN 95 Ca 0.00 -0.05 0.03 0.00 -1.45 0.00 0.00 58.65 57.18 2dlx h GLN 95 Cb 0.60 -0.19 -0.05 0.00 -0.05 0.00 0.00 27.48 27.79 2dlx h GLN 95 CO -0.27 0.57 -0.37 0.35 -0.95 0.00 0.00 178.83 178.16 2dlx h PHE 96 N 0.89 -1.15 -0.54 2.96 3.04 0.05 -2.43 116.94 119.77 2dlx h PHE 96 Ca 0.41 0.06 0.00 0.00 3.98 0.00 0.00 57.97 62.41 2dlx h PHE 96 Cb 0.39 0.54 0.00 0.00 2.56 0.00 0.00 35.95 39.43 2dlx h PHE 96 CO -0.00 -0.33 0.00 0.66 -2.02 0.00 0.00 178.31 176.62 2dlx n TYR 97 N -4.49 1.03 -3.90 0.41 4.02 -1.03 -4.96 117.16 108.25 2dlx n TYR 97 Ca -0.02 -0.59 -0.28 0.00 -0.01 0.00 0.00 57.90 57.00 2dlx n TYR 97 Cb 0.23 -0.14 0.02 0.00 -0.02 0.00 0.00 39.34 39.42 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 0.87 -4.84 -1.00 -0.72 4.76 0.60 -4.90 118.16 112.93 2dlx n LYS 98 Ca 0.21 0.55 -0.34 0.00 -2.87 0.00 0.00 58.31 55.87 2dlx n LYS 98 Cb 0.71 -5.25 0.11 0.00 -1.84 0.00 0.00 35.03 28.76 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 -4.51 1.69 0.00 -0.35 0.00 0.18 -4.93 117.00 109.08 2dlx n LEU 99 Ca -0.09 0.48 0.00 0.00 0.00 0.00 0.00 56.01 56.41 2dlx n LEU 99 Cb 0.58 -1.32 0.00 0.00 0.00 0.00 0.00 43.42 42.68 2dlx n LEU 99 CO 0.75 -2.82 0.00 0.61 0.00 0.00 0.00 177.39 175.93 2dlx n GLY 100 N 1.17 0.17 3.92 -3.96 0.00 -1.26 -4.90 105.19 100.33 2dlx n GLY 100 Ca 0.10 -0.09 -0.24 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.63 4.79 0.07 1.61 1.11 -1.26 -5.15 116.67 116.20 2dlx s ASP 101 Ca 0.00 -1.08 -0.13 0.00 0.18 0.00 0.00 52.55 51.52 2dlx s ASP 101 Cb 0.00 0.21 0.02 0.00 1.07 0.00 0.00 42.92 44.22 2dlx s ASP 101 CO 0.00 -1.06 0.30 -0.36 1.18 0.00 0.00 175.17 175.23 2dlx s PHE 102 N -2.70 -0.08 0.98 4.23 0.08 -1.26 -4.41 117.98 114.83 2dlx s PHE 102 Ca 0.42 -0.14 -0.12 0.00 0.12 0.00 0.00 56.93 57.20 2dlx s PHE 102 Cb -0.03 0.10 0.18 0.00 -0.57 0.00 0.00 43.02 42.70 2dlx s PHE 102 CO 0.26 -0.55 1.09 -1.25 -0.10 0.00 0.00 175.22 174.67 2dlx s PRO 103 N -3.04 0.54 -0.06 0.24 0.04 -1.26 -5.09 135.00 126.36 2dlx s PRO 103 Ca -0.02 0.56 -0.01 0.00 0.04 0.00 0.00 61.00 61.57 2dlx s PRO 103 Cb 0.01 -1.75 0.03 0.00 0.04 0.00 0.00 34.50 32.83 2dlx s PRO 103 CO -0.06 -2.67 -0.01 -0.47 0.04 0.00 0.00 177.00 173.83 2dlx s TYR 104 N -2.96 0.66 -0.03 0.56 6.14 -1.26 -4.78 117.35 115.67 2dlx s TYR 104 Ca 0.65 -0.16 -0.00 0.00 0.64 0.00 0.00 57.07 58.19 2dlx s TYR 104 Cb -0.18 -0.74 0.03 0.00 0.42 0.00 0.00 41.96 41.48 2dlx s TYR 104 CO 0.57 -0.28 0.03 0.08 0.64 0.00 0.00 175.55 176.59 2dlx s VAL 105 N 1.67 -0.01 -0.02 3.14 1.01 -1.19 -4.24 120.40 120.76 2dlx s VAL 105 Ca 0.00 0.21 -0.15 0.00 0.00 0.00 0.00 61.98 62.05 2dlx s VAL 105 Cb -0.13 -0.14 0.02 0.00 0.00 0.00 0.00 36.38 36.14 2dlx s VAL 105 CO -0.04 0.11 0.32 -0.55 0.00 0.00 0.00 175.10 174.94 2dlx s SER 106 N 1.21 -0.21 -0.27 3.32 0.15 -1.25 -2.35 113.70 114.30 2dlx s SER 106 Ca -0.07 0.13 -0.09 0.00 0.70 0.00 0.00 55.95 56.62 2dlx s SER 106 Cb -0.13 0.34 -0.03 0.00 -1.71 0.00 0.00 66.02 64.49 2dlx s SER 106 CO -0.03 -0.43 0.12 -0.63 1.20 0.00 0.00 173.24 173.47 2dlx s ILE 107 N -1.23 4.64 0.17 6.45 1.01 -1.21 -3.62 121.20 127.42 2dlx s ILE 107 Ca -0.13 -0.13 0.04 0.00 0.00 0.00 0.00 60.65 60.44 2dlx s ILE 107 Cb -0.05 -3.22 -0.04 0.00 0.01 0.00 0.00 42.46 39.16 2dlx s ILE 107 CO 0.04 0.26 0.20 -0.22 0.00 0.00 0.00 174.94 175.22 2dlx s LEU 108 N 1.65 4.00 -0.24 2.97 2.96 -0.99 -2.89 118.68 126.14 2dlx s LEU 108 Ca 0.06 -0.04 -0.15 0.00 -0.22 0.00 0.00 54.13 53.78 2dlx s LEU 108 Cb -0.16 -2.59 -0.04 0.00 0.50 0.00 0.00 46.19 43.91 2dlx s LEU 108 CO 0.06 0.05 0.38 -0.62 -1.32 0.00 0.00 176.35 174.89 2dlx s ASP 109 N -3.26 6.33 0.00 3.68 2.15 -1.24 -2.90 116.67 121.43 2dlx s ASP 109 Ca 0.32 0.39 0.15 0.00 0.43 0.00 0.00 52.55 53.84 2dlx s ASP 109 Cb -0.10 -2.22 0.70 0.00 -0.30 0.00 0.00 42.92 41.00 2dlx s ASP 109 CO 0.25 -0.13 1.42 -0.81 -0.17 0.00 0.00 175.17 175.74 2dlx n PRO 110 N 4.90 0.14 -0.12 4.34 -0.04 -1.26 0.19 135.00 143.15 2dlx n PRO 110 Ca -0.09 0.18 -0.26 0.00 -0.04 0.00 0.00 63.50 63.29 2dlx n PRO 110 Cb 0.51 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.36 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 -1.35 0.58 -0.11 0.54 1.74 -1.26 -4.56 116.66 112.24 2dlx n ARG 111 Ca 0.06 0.38 -0.13 0.00 -0.77 0.00 0.00 57.85 57.38 2dlx n ARG 111 Cb 0.13 -1.59 -0.12 0.00 -1.02 0.00 0.00 32.46 29.86 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 -4.28 1.30 -2.29 0.55 -2.24 -1.19 -5.03 114.28 101.10 2dlx n THR 112 Ca -0.46 -0.61 0.00 0.00 -2.27 0.00 0.00 64.05 60.72 2dlx n THR 112 Cb 0.82 -1.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.03 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 2.20 0.73 3.24 3.38 0.00 0.50 -4.99 105.19 110.25 2dlx n GLY 113 Ca -0.37 -0.76 -0.31 0.00 0.00 0.00 0.00 46.02 44.58 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 -4.58 2.60 -0.08 1.61 0.74 -1.26 -4.80 119.66 113.89 2dlx s GLN 114 Ca 0.00 -0.86 -0.33 0.00 0.05 0.00 0.00 55.36 54.22 2dlx s GLN 114 Cb 0.00 -2.12 -0.11 0.00 1.10 0.00 0.00 33.01 31.88 2dlx s GLN 114 CO 0.00 0.30 1.93 1.17 -0.55 0.00 0.00 175.29 178.15 2dlx n LYS 115 N 3.15 2.26 -0.11 1.67 0.00 -1.26 -3.73 118.16 120.14 2dlx n LYS 115 Ca -0.18 0.82 -0.21 0.00 0.00 0.00 0.00 58.31 58.73 2dlx n LYS 115 Cb 0.52 -2.74 -0.12 0.00 0.00 0.00 0.00 35.03 32.69 2dlx n LYS 115 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2dlx n LEU 116 N 7.24 2.67 -4.20 3.14 4.77 -1.14 -5.00 117.00 124.49 2dlx n LEU 116 Ca 0.23 0.04 -0.20 0.00 -0.03 0.00 0.00 56.01 56.05 2dlx n LEU 116 Cb 0.32 -0.93 -0.12 0.00 -2.33 0.00 0.00 43.42 40.36 2dlx n LEU 116 CO 0.72 0.82 -0.48 0.68 -1.33 0.00 0.00 177.39 177.81 2dlx s VAL 117 N -2.52 1.28 -0.05 4.08 -7.23 -1.25 -5.06 120.40 109.64 2dlx s VAL 117 Ca -0.34 -1.30 0.01 0.00 -1.81 0.00 0.00 61.98 58.54 2dlx s VAL 117 Cb 0.10 -1.19 0.02 0.00 0.56 0.00 0.00 36.38 35.87 2dlx s VAL 117 CO 0.60 -0.13 -0.05 -1.83 -0.31 0.00 0.00 175.10 173.39 2dlx s GLU 118 N -1.65 0.91 -0.05 4.82 1.03 -1.26 -3.29 118.70 119.21 2dlx s GLU 118 Ca 0.01 -0.12 0.01 0.00 0.03 0.00 0.00 54.97 54.90 2dlx s GLU 118 Cb -0.10 -0.94 0.02 0.00 -0.80 0.00 0.00 34.13 32.32 2dlx s GLU 118 CO 0.03 -0.10 -0.05 -1.58 -1.33 0.00 0.00 175.26 172.22 2dlx s TRP 119 N 1.04 0.88 -0.16 4.83 0.51 -0.99 -5.05 118.94 120.01 2dlx s TRP 119 Ca -0.09 -0.28 -0.20 0.00 -2.12 0.00 0.00 56.10 53.41 2dlx s TRP 119 Cb -0.14 -0.76 -0.18 0.00 -0.81 0.00 0.00 33.47 31.58 2dlx s TRP 119 CO -0.01 -0.23 0.36 1.25 -0.51 0.00 0.00 176.95 177.82 2dlx h HIS 120 N 7.29 0.00 -3.33 -1.98 -0.00 -1.88 -3.14 115.15 112.11 2dlx h HIS 120 Ca -0.35 0.00 -0.66 0.00 -0.00 0.00 0.00 60.37 59.36 2dlx h HIS 120 Cb 1.15 0.00 -0.13 0.00 -0.00 0.00 0.00 27.41 28.44 2dlx h HIS 120 CO 0.49 0.93 -0.64 1.14 -0.00 0.00 0.00 177.93 179.86 2dlx s GLN 121 N -2.19 2.78 0.05 5.26 -2.07 -1.26 -4.44 119.66 117.79 2dlx s GLN 121 Ca -0.20 -0.64 -0.04 0.00 -1.82 0.00 0.00 55.36 52.66 2dlx s GLN 121 Cb 0.01 -2.67 -0.02 0.00 -1.09 0.00 0.00 33.01 29.24 2dlx s GLN 121 CO 0.51 0.61 0.05 -1.17 -1.32 0.00 0.00 175.29 173.97 2dlx s LEU 122 N -1.76 2.06 0.25 2.60 2.96 -1.26 -4.97 118.68 118.56 2dlx s LEU 122 Ca 0.22 -0.77 -0.18 0.00 -0.22 0.00 0.00 54.13 53.18 2dlx s LEU 122 Cb -0.12 0.48 0.02 0.00 0.50 0.00 0.00 46.19 47.07 2dlx s LEU 122 CO 0.13 -0.59 0.61 -1.81 -1.32 0.00 0.00 176.35 173.37 2dlx s ASP 123 N -2.60 -0.22 0.15 3.68 1.11 -1.26 -4.93 116.67 112.59 2dlx s ASP 123 Ca 0.02 -0.65 -0.31 0.00 0.18 0.00 0.00 52.55 51.79 2dlx s ASP 123 Cb 0.04 0.66 -0.06 0.00 1.07 0.00 0.00 42.92 44.62 2dlx s ASP 123 CO -0.08 -1.22 1.55 0.58 1.18 0.00 0.00 175.17 177.17 2dlx h VAL 124 N 2.11 0.01 0.21 -1.27 2.07 -1.88 0.27 116.25 117.77 2dlx h VAL 124 Ca -0.23 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 2dlx h VAL 124 Cb 1.25 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 2dlx h VAL 124 CO 0.30 0.00 -0.10 -1.28 0.02 0.00 0.00 177.57 176.50 2dlx h SER 125 N -0.20 -0.24 -0.90 0.57 0.87 -1.97 -3.23 113.55 108.45 2dlx h SER 125 Ca 0.13 -0.18 0.13 0.00 -1.23 0.00 0.00 61.79 60.64 2dlx h SER 125 Cb 0.52 0.06 -0.14 0.00 -0.44 0.00 0.00 62.40 62.40 2dlx h SER 125 CO -0.77 0.28 -0.37 -0.24 -0.53 0.00 0.00 176.83 175.20 2dlx n SER 126 N -4.96 -0.62 0.05 6.23 2.88 -1.12 -0.16 113.62 115.91 2dlx n SER 126 Ca -0.06 1.58 -0.14 0.00 -1.33 0.00 0.00 58.87 58.92 2dlx n SER 126 Cb 0.21 -0.34 -0.09 0.00 -0.75 0.00 0.00 64.21 63.24 2dlx n SER 126 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 2dlx h PHE 127 N 0.00 -1.37 0.07 0.66 3.57 -0.58 -0.68 116.94 118.61 2dlx h PHE 127 Ca 0.30 0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.86 2dlx h PHE 127 Cb 0.52 0.60 -0.05 0.00 2.79 0.00 0.00 35.95 39.81 2dlx h PHE 127 CO -0.81 -0.50 -0.35 -0.07 -2.23 0.00 0.00 178.31 174.35 2dlx h LEU 128 N -0.59 -1.03 -0.89 0.59 3.38 -0.92 0.20 115.31 116.04 2dlx h LEU 128 Ca 0.01 0.12 0.24 0.00 0.09 0.00 0.00 57.88 58.34 2dlx h LEU 128 Cb 0.63 0.40 -0.16 0.00 0.09 0.00 0.00 40.66 41.62 2dlx h LEU 128 CO -0.31 -0.42 0.13 -0.78 0.09 0.00 0.00 178.44 177.15 2dlx h ASP 129 N -0.55 -0.22 0.42 -0.43 3.58 -0.25 0.35 116.42 119.31 2dlx h ASP 129 Ca 0.04 0.23 -0.02 0.00 0.42 0.00 0.00 57.03 57.70 2dlx h ASP 129 Cb 0.60 0.36 0.00 0.00 1.72 0.00 0.00 39.33 42.01 2dlx h ASP 129 CO -0.24 -0.24 -0.20 1.56 -2.88 0.00 0.00 179.24 177.24 2dlx h GLN 130 N 0.11 -0.54 -0.23 0.28 4.20 -0.29 -2.96 115.11 115.69 2dlx h GLN 130 Ca 0.55 0.04 0.03 0.00 0.06 0.00 0.00 58.65 59.33 2dlx h GLN 130 Cb 1.11 0.12 -0.06 0.00 0.30 0.00 0.00 27.48 28.95 2dlx h GLN 130 CO -0.75 -0.31 -0.48 0.28 -0.67 0.00 0.00 178.83 176.89 2dlx h VAL 131 N -1.11 0.00 -0.85 -0.54 2.07 0.21 0.78 116.25 116.80 2dlx h VAL 131 Ca -0.06 0.00 0.22 0.00 0.82 0.00 0.00 66.70 67.68 2dlx h VAL 131 Cb 0.48 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.10 2dlx h VAL 131 CO 0.09 0.00 0.09 0.71 0.02 0.00 0.00 177.57 178.49 2dlx h THR 132 N -0.43 0.26 -0.45 2.57 1.35 -0.48 0.31 112.91 116.03 2dlx h THR 132 Ca 0.04 -0.04 -0.04 0.00 -0.55 0.00 0.00 66.41 65.82 2dlx h THR 132 Cb 0.56 0.13 -0.02 0.00 -1.73 0.00 0.00 68.15 67.09 2dlx h THR 132 CO -0.45 0.02 0.14 1.23 -0.25 0.00 0.00 175.52 176.21 2dlx h GLY 133 N 0.12 0.77 0.76 5.82 0.00 -0.99 -2.00 103.07 107.54 2dlx h GLY 133 Ca 0.50 -0.46 -0.02 0.00 0.00 0.00 0.00 47.33 47.35 2dlx h GLY 133 CO -0.72 0.43 -0.22 -2.75 0.00 0.00 0.00 176.54 173.28 2dlx h PHE 134 N 0.60 -0.57 -0.68 5.60 3.04 0.15 -0.46 116.94 124.62 2dlx h PHE 134 Ca 0.15 -0.01 0.15 0.00 3.98 0.00 0.00 57.97 62.23 2dlx h PHE 134 Cb 0.28 0.19 -0.11 0.00 2.56 0.00 0.00 35.95 38.87 2dlx h PHE 134 CO 0.01 -0.25 0.11 -0.07 -2.02 0.00 0.00 178.31 176.09 2dlx h LEU 135 N -0.86 -0.09 -0.56 0.59 3.38 -0.56 0.29 115.31 117.50 2dlx h LEU 135 Ca -0.06 0.15 -0.10 0.00 0.09 0.00 0.00 57.88 57.95 2dlx h LEU 135 Cb 0.57 0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 2dlx h LEU 135 CO 0.10 -0.06 -0.06 1.23 0.09 0.00 0.00 178.44 179.74 2dlx h GLY 136 N 0.21 1.11 0.68 0.83 0.00 -1.32 0.49 103.07 105.07 2dlx h GLY 136 Ca 0.37 -0.87 -0.03 0.00 0.00 0.00 0.00 47.33 46.81 2dlx h GLY 136 CO -0.51 0.79 -0.33 -2.09 0.00 0.00 0.00 176.54 174.41 2dlx h GLU 137 N 0.91 -0.88 0.15 4.80 4.22 0.51 -3.38 114.58 120.92 2dlx h GLU 137 Ca 0.15 0.06 -0.01 0.00 0.08 0.00 0.00 59.36 59.64 2dlx h GLU 137 Cb 0.62 0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.07 2dlx h GLU 137 CO 0.04 -0.59 -0.07 0.45 -2.18 0.00 0.00 179.01 176.66 2dlx h HIS 138 N -1.21 -0.19 0.00 0.92 3.86 -0.57 -3.51 115.15 114.45 2dlx h HIS 138 Ca -0.09 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.11 2dlx h HIS 138 Cb 0.70 0.06 0.00 0.00 1.06 0.00 0.00 27.41 29.23 2dlx h HIS 138 CO 0.01 -0.12 0.00 0.41 0.86 0.00 0.00 177.93 179.09 2dlx n GLY 139 N 1.00 1.65 3.72 2.45 0.00 0.17 -5.02 105.19 109.16 2dlx n GLY 139 Ca -0.03 -2.05 -0.38 0.00 0.00 0.00 0.00 46.02 43.56 2dlx n GLY 139 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2dlx n GLN 140 N 1.09 1.46 -0.78 1.61 -0.06 -1.26 -4.94 117.38 114.50 2dlx n GLN 140 Ca 0.00 0.54 -0.33 0.00 -2.00 0.00 0.00 57.00 55.22 2dlx n GLN 140 Cb 0.00 -2.49 0.13 0.00 -4.06 0.00 0.00 30.24 23.81 2dlx n GLN 140 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 2dlx n LEU 141 N -1.09 -0.39 -4.77 1.69 4.32 -1.26 -4.94 117.00 110.57 2dlx n LEU 141 Ca 0.12 0.28 -0.39 0.00 -0.02 0.00 0.00 56.01 56.00 2dlx n LEU 141 Cb 0.45 -1.19 -0.06 0.00 -1.62 0.00 0.00 43.42 41.01 2dlx n LEU 141 CO 0.52 -3.55 0.67 -1.81 -1.22 0.00 0.00 177.39 171.99 2dlx s ASP 142 N -2.01 7.43 0.00 -1.43 1.11 -1.26 -4.92 116.67 115.59 2dlx s ASP 142 Ca 0.57 1.94 0.00 0.00 0.18 0.00 0.00 52.55 55.24 2dlx s ASP 142 Cb -0.20 -2.60 0.00 0.00 1.07 0.00 0.00 42.92 41.19 2dlx s ASP 142 CO 0.67 -0.00 0.00 0.61 1.18 0.00 0.00 175.17 177.63 2dlx n GLY 143 N 1.01 3.30 3.77 0.21 0.00 -1.26 -5.02 105.19 107.19 2dlx n GLY 143 Ca 0.00 -1.02 -0.30 0.00 0.00 0.00 0.00 46.02 44.70 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 2.73 -0.24 0.99 -0.00 -1.26 -5.03 118.68 115.86 2dlx s LEU 144 Ca 0.00 1.60 -0.13 0.00 -0.00 0.00 0.00 54.13 55.60 2dlx s LEU 144 Cb 0.00 -4.22 0.08 0.00 -0.00 0.00 0.00 46.19 42.04 2dlx s LEU 144 CO 0.00 -2.12 0.58 -0.94 -0.00 0.00 0.00 176.35 173.87 2dlx s SER 145 N -3.55 -0.79 0.48 1.48 1.04 -1.26 -5.13 113.70 105.97 2dlx s SER 145 Ca 0.61 1.30 -0.23 0.00 0.48 0.00 0.00 55.95 58.11 2dlx s SER 145 Cb -0.16 1.28 -0.07 0.00 0.10 0.00 0.00 66.02 67.16 2dlx s SER 145 CO 0.56 -0.22 1.25 -0.55 0.98 0.00 0.00 173.24 175.25 2dlx s SER 146 N 1.74 5.91 0.22 7.02 0.15 -1.26 -5.04 113.70 122.44 2dlx s SER 146 Ca -0.09 2.51 0.10 0.00 0.70 0.00 0.00 55.95 59.17 2dlx s SER 146 Cb -0.07 -2.62 -0.04 0.00 -1.71 0.00 0.00 66.02 61.58 2dlx s SER 146 CO -0.17 -1.11 -0.13 -0.55 1.20 0.00 0.00 173.24 172.48 2dlx s SER 147 N -1.13 4.00 0.11 5.45 0.15 -1.26 -5.05 113.70 115.97 2dlx s SER 147 Ca 0.65 -0.74 -0.32 0.00 0.70 0.00 0.00 55.95 56.23 2dlx s SER 147 Cb -0.34 -0.56 -0.12 0.00 -1.71 0.00 0.00 66.02 63.29 2dlx s SER 147 CO 0.41 0.08 1.53 0.28 1.20 0.00 0.00 173.24 176.74 2dlx h SER 148 N 2.67 -1.68 0.00 5.45 0.02 -2.07 -3.46 113.55 114.49 2dlx h SER 148 Ca -0.45 0.20 0.00 0.00 -0.84 0.00 0.00 61.79 60.70 2dlx h SER 148 Cb 1.22 0.66 0.00 0.00 0.14 0.00 0.00 62.40 64.42 2dlx h SER 148 CO 0.55 -0.46 0.00 0.61 -1.14 0.00 0.00 176.83 176.39 2dlx n GLY 149 N -1.41 -0.92 0.00 -3.77 0.00 -1.26 -5.01 105.19 92.81 2dlx n GLY 149 Ca -0.06 0.23 0.06 0.00 0.00 0.00 0.00 46.02 46.25 2dlx n GLY 149 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dlx n PRO 150 N 0.00 0.49 -2.08 1.61 -0.04 -1.26 -4.75 135.00 128.96 2dlx n PRO 150 Ca 0.00 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.03 2dlx n PRO 150 Cb 0.00 -1.36 -0.03 0.00 -0.04 0.00 0.00 33.50 32.07 2dlx n PRO 150 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dlx s SER 151 N -1.87 6.43 0.29 3.54 0.15 -1.26 -4.97 113.70 116.01 2dlx s SER 151 Ca 0.17 1.77 0.04 0.00 0.70 0.00 0.00 55.95 58.62 2dlx s SER 151 Cb 0.08 -2.53 -0.03 0.00 -1.71 0.00 0.00 66.02 61.82 2dlx s SER 151 CO 0.13 -1.19 0.24 -0.44 1.20 0.00 0.00 173.24 173.18 2dlx s SER 152 N 4.11 1.10 0.00 5.45 0.01 -1.26 -5.26 113.70 117.85 2dlx s SER 152 Ca 0.72 -1.61 0.00 0.00 1.31 0.00 0.00 55.95 56.37 2dlx s SER 152 Cb -0.27 0.50 0.00 0.00 0.21 0.00 0.00 66.02 66.46 2dlx s SER 152 CO 0.29 -1.00 0.00 0.61 0.41 0.00 0.00 173.24 173.55