#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 -0.07 -0.19 1.61 1.04 -1.26 -5.18 113.70 109.65 2dlx s SER 2 Ca 0.00 -0.91 -0.18 0.00 0.48 0.00 0.00 55.95 55.34 2dlx s SER 2 Cb 0.00 0.63 0.05 0.00 0.10 0.00 0.00 66.02 66.80 2dlx s SER 2 CO 0.00 -1.22 0.52 -0.94 0.98 0.00 0.00 173.24 172.58 2dlx s SER 3 N -3.01 -0.54 0.00 7.02 1.04 -1.26 -5.17 113.70 111.78 2dlx s SER 3 Ca 0.20 1.04 0.00 0.00 0.48 0.00 0.00 55.95 57.67 2dlx s SER 3 Cb -0.02 1.05 0.00 0.00 0.10 0.00 0.00 66.02 67.16 2dlx s SER 3 CO 0.09 -0.18 0.00 0.61 0.98 0.00 0.00 173.24 174.74 2dlx n GLY 4 N 2.81 1.35 3.60 7.32 0.00 -1.26 -5.19 105.19 113.82 2dlx n GLY 4 Ca -0.13 0.06 -0.09 0.00 0.00 0.00 0.00 46.02 45.85 2dlx n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dlx s SER 5 N 0.00 -0.40 0.33 1.61 1.04 -1.26 -5.19 113.70 109.83 2dlx s SER 5 Ca 0.00 -0.22 -0.18 0.00 0.48 0.00 0.00 55.95 56.03 2dlx s SER 5 Cb 0.00 0.58 0.05 0.00 0.10 0.00 0.00 66.02 66.76 2dlx s SER 5 CO 0.00 -1.01 0.81 -0.94 0.98 0.00 0.00 173.24 173.09 2dlx s SER 6 N -2.77 -0.05 0.00 7.02 1.04 -1.26 -5.11 113.70 112.56 2dlx s SER 6 Ca 0.06 -0.96 0.00 0.00 0.48 0.00 0.00 55.95 55.53 2dlx s SER 6 Cb -0.02 0.77 0.00 0.00 0.10 0.00 0.00 66.02 66.87 2dlx s SER 6 CO -0.05 -1.51 0.00 0.61 0.98 0.00 0.00 173.24 173.27 2dlx n GLY 7 N -0.53 -1.82 3.22 7.32 0.00 -1.26 -5.16 105.19 106.96 2dlx n GLY 7 Ca -0.07 0.80 -0.29 0.00 0.00 0.00 0.00 46.02 46.46 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 0.00 1.82 0.17 -0.61 -0.00 -1.26 -5.12 121.20 116.20 2dlx s ILE 8 Ca 0.00 -0.93 -0.23 0.00 -0.00 0.00 0.00 60.65 59.49 2dlx s ILE 8 Cb 0.00 -1.55 0.07 0.00 -0.00 0.00 0.00 42.46 40.99 2dlx s ILE 8 CO 0.00 0.51 1.02 1.51 -0.00 0.00 0.00 174.94 177.98 2dlx s ASP 9 N -0.07 -0.04 0.01 4.36 1.47 -1.26 -5.19 116.67 115.95 2dlx s ASP 9 Ca -0.04 -0.60 -0.05 0.00 1.18 0.00 0.00 52.55 53.04 2dlx s ASP 9 Cb -0.13 0.49 -0.01 0.00 -0.34 0.00 0.00 42.92 42.94 2dlx s ASP 9 CO 0.03 -0.96 0.09 -0.54 0.68 0.00 0.00 175.17 174.48 2dlx s LYS 10 N -2.46 0.47 -0.07 2.11 3.01 -1.26 -5.17 119.74 116.37 2dlx s LYS 10 Ca 0.19 -0.52 -0.20 0.00 -1.01 0.00 0.00 55.97 54.43 2dlx s LYS 10 Cb -0.02 0.19 0.04 0.00 -1.01 0.00 0.00 37.83 37.03 2dlx s LYS 10 CO 0.04 -0.11 0.46 -1.59 0.51 0.00 0.00 175.35 174.66 2dlx s LYS 11 N -1.67 0.74 -0.22 1.68 0.00 -1.26 -5.16 119.74 113.85 2dlx s LYS 11 Ca -0.13 0.18 -0.11 0.00 0.00 0.00 0.00 55.97 55.92 2dlx s LYS 11 Cb -0.07 0.34 0.08 0.00 0.00 0.00 0.00 37.83 38.18 2dlx s LYS 11 CO -0.00 -0.19 0.51 -0.48 0.00 0.00 0.00 175.35 175.19 2dlx s LEU 12 N -0.82 -0.53 -0.09 2.77 2.34 -1.26 -5.15 118.68 115.94 2dlx s LEU 12 Ca -0.09 1.15 -0.03 0.00 0.06 0.00 0.00 54.13 55.22 2dlx s LEU 12 Cb -0.03 1.73 0.05 0.00 -0.56 0.00 0.00 46.19 47.37 2dlx s LEU 12 CO 0.05 -0.22 0.11 0.42 -1.06 0.00 0.00 176.35 175.65 2dlx s THR 13 N 1.82 -0.17 -0.01 5.48 -4.23 -1.26 -5.14 115.64 112.14 2dlx s THR 13 Ca -0.08 0.24 -0.25 0.00 -1.18 0.00 0.00 61.69 60.42 2dlx s THR 13 Cb -0.08 -0.33 0.06 0.00 1.34 0.00 0.00 72.50 73.48 2dlx s THR 13 CO -0.15 0.04 0.56 0.28 -0.54 0.00 0.00 174.62 174.81 2dlx s THR 14 N 2.21 0.02 -0.01 3.99 -1.32 -1.26 -5.17 115.64 114.10 2dlx s THR 14 Ca 0.04 -0.16 0.00 0.00 -1.21 0.00 0.00 61.69 60.36 2dlx s THR 14 Cb -0.13 -0.92 0.01 0.00 -1.51 0.00 0.00 72.50 69.95 2dlx s THR 14 CO -0.06 -0.09 0.00 -1.48 -2.21 0.00 0.00 174.62 170.79 2dlx s LEU 15 N -1.52 1.60 0.03 9.08 0.05 -1.26 -5.16 118.68 121.50 2dlx s LEU 15 Ca -0.09 0.00 -0.04 0.00 0.05 0.00 0.00 54.13 54.05 2dlx s LEU 15 Cb -0.01 -0.07 -0.01 0.00 -2.05 0.00 0.00 46.19 44.04 2dlx s LEU 15 CO 0.04 -0.05 0.05 0.00 -0.55 0.00 0.00 176.35 175.85 2dlx s ALA 16 N 0.46 0.00 -0.00 1.48 0.00 -1.26 -5.09 121.76 117.35 2dlx s ALA 16 Ca -0.04 -0.55 -0.05 0.00 0.00 0.00 0.00 51.96 51.33 2dlx s ALA 16 Cb -0.06 0.19 -0.02 0.00 0.00 0.00 0.00 23.12 23.23 2dlx s ALA 16 CO -0.01 -0.25 0.67 -0.44 0.00 0.00 0.00 175.76 175.73 2dlx h ASP 17 N 4.05 -0.14 -2.60 0.00 3.32 -2.05 -3.46 116.42 115.54 2dlx h ASP 17 Ca -0.32 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.17 2dlx h ASP 17 Cb 1.19 0.04 -0.08 0.00 0.22 0.00 0.00 39.33 40.70 2dlx h ASP 17 CO 0.47 -0.06 -0.59 -1.48 -1.72 0.00 0.00 179.24 175.86 2dlx s LEU 18 N -5.06 3.62 -0.27 1.55 -0.00 -1.26 -5.06 118.68 112.21 2dlx s LEU 18 Ca -0.02 -0.27 -0.15 0.00 -0.00 0.00 0.00 54.13 53.68 2dlx s LEU 18 Cb 0.00 -2.22 -0.13 0.00 -0.00 0.00 0.00 46.19 43.84 2dlx s LEU 18 CO 0.07 0.05 -0.25 0.49 -0.00 0.00 0.00 176.35 176.71 2dlx n PHE 19 N -0.50 0.20 -4.92 3.48 3.01 -1.26 -4.99 117.46 112.49 2dlx n PHE 19 Ca -0.08 0.09 -0.31 0.00 1.01 0.00 0.00 57.45 58.15 2dlx n PHE 19 Cb 0.56 -1.02 -0.14 0.00 -0.01 0.00 0.00 39.48 38.87 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 -2.48 2.03 1.03 -1.08 3.00 -1.26 -5.14 118.95 115.06 2dlx s ARG 20 Ca -0.37 -0.98 -0.13 0.00 0.00 0.00 0.00 55.73 54.25 2dlx s ARG 20 Cb 0.13 -2.10 0.21 0.00 0.00 0.00 0.00 34.95 33.18 2dlx s ARG 20 CO 0.51 0.54 1.09 -1.25 0.00 0.00 0.00 175.30 176.20 2dlx s PRO 21 N -1.10 0.16 0.00 3.54 0.04 -1.26 -4.88 135.00 131.49 2dlx s PRO 21 Ca 0.12 0.43 0.00 0.00 0.04 0.00 0.00 61.00 61.59 2dlx s PRO 21 Cb -0.10 -1.71 0.00 0.00 0.04 0.00 0.00 34.50 32.73 2dlx s PRO 21 CO 0.02 -2.90 0.47 -0.35 0.04 0.00 0.00 177.00 174.29 2dlx n PRO 22 N -4.28 0.49 0.12 0.56 -0.04 -1.26 -3.77 135.00 126.82 2dlx n PRO 22 Ca 0.06 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.58 2dlx n PRO 22 Cb 0.58 -1.02 0.32 0.00 -0.04 0.00 0.00 33.50 33.34 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 -0.45 0.96 -0.25 0.52 -5.35 -1.26 -3.23 119.36 110.31 2dlx n ILE 23 Ca 0.00 0.68 -0.06 0.00 -0.27 0.00 0.00 62.75 63.09 2dlx n ILE 23 Cb 0.01 -1.68 -0.06 0.00 -1.74 0.00 0.00 39.64 36.18 2dlx n ILE 23 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 2dlx n ASP 24 N -1.92 -0.62 0.04 7.28 5.68 -1.25 -0.28 116.55 125.48 2dlx n ASP 24 Ca -0.01 1.13 -0.13 0.00 -0.50 0.00 0.00 54.79 55.28 2dlx n ASP 24 Cb 0.19 -0.18 -0.09 0.00 -1.14 0.00 0.00 41.12 39.91 2dlx n ASP 24 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 2dlx h LEU 25 N 0.00 -0.06 -9.12 -2.12 3.38 -1.93 -3.42 115.31 102.04 2dlx h LEU 25 Ca 0.09 -0.26 -0.57 0.00 0.09 0.00 0.00 57.88 57.24 2dlx h LEU 25 Cb 0.24 0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.01 2dlx h LEU 25 CO -0.55 0.22 1.39 -0.04 0.09 0.00 0.00 178.44 179.55 2dlx s MET 26 N -5.05 3.51 -0.48 1.13 -1.94 0.61 -4.53 119.30 112.56 2dlx s MET 26 Ca -0.15 2.22 -0.23 0.00 -1.71 0.00 0.00 55.69 55.83 2dlx s MET 26 Cb 0.03 -4.29 0.03 0.00 2.01 0.00 0.00 34.83 32.62 2dlx s MET 26 CO 0.65 -1.68 0.79 -1.58 -0.01 0.00 0.00 175.02 173.19 2dlx s HIS 27 N 6.85 2.96 0.86 -0.03 2.46 -1.22 -4.82 115.29 122.35 2dlx s HIS 27 Ca 0.95 0.04 -0.12 0.00 0.47 0.00 0.00 55.06 56.40 2dlx s HIS 27 Cb -0.36 -3.71 0.09 0.00 -0.13 0.00 0.00 32.58 28.47 2dlx s HIS 27 CO 0.37 -1.06 1.03 1.63 -2.47 0.00 0.00 174.74 174.25 2dlx n LYS 28 N 6.78 -0.10 0.00 2.88 5.02 -1.26 -4.81 118.16 126.68 2dlx n LYS 28 Ca 0.01 0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.34 2dlx n LYS 28 Cb 0.48 -2.30 0.00 0.00 -0.02 0.00 0.00 35.03 33.19 2dlx n LYS 28 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2dlx n GLY 29 N 0.66 0.26 3.30 0.72 0.00 -1.26 -5.01 105.19 103.86 2dlx n GLY 29 Ca 0.12 -1.70 -0.19 0.00 0.00 0.00 0.00 46.02 44.25 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 1.48 0.11 1.61 0.01 -1.26 -5.04 113.70 106.61 2dlx s SER 30 Ca 0.00 -1.64 -0.21 0.00 1.31 0.00 0.00 55.95 55.41 2dlx s SER 30 Cb 0.00 0.49 -0.08 0.00 0.21 0.00 0.00 66.02 66.63 2dlx s SER 30 CO 0.00 -0.97 1.74 0.15 0.41 0.00 0.00 173.24 174.57 2dlx h PHE 31 N 2.21 0.05 -0.92 2.43 3.57 -1.99 -2.36 116.94 119.93 2dlx h PHE 31 Ca -0.30 0.01 0.15 0.00 3.53 0.00 0.00 57.97 61.36 2dlx h PHE 31 Cb 1.24 -0.00 -0.10 0.00 2.79 0.00 0.00 35.95 39.88 2dlx h PHE 31 CO 1.31 0.02 0.53 1.49 -2.23 0.00 0.00 178.31 179.43 2dlx h GLU 32 N 0.08 0.72 0.19 1.11 4.81 -2.00 -1.99 114.58 117.50 2dlx h GLU 32 Ca 0.06 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 2dlx h GLU 32 Cb 0.04 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.25 2dlx h GLU 32 CO -0.07 0.47 -0.19 1.15 -0.73 0.00 0.00 179.01 179.64 2dlx h THR 33 N 0.74 0.58 -1.69 0.32 2.02 -1.84 -1.95 112.91 111.09 2dlx h THR 33 Ca 0.50 0.00 0.50 0.00 0.77 0.00 0.00 66.41 68.18 2dlx h THR 33 Cb 0.69 0.58 -0.08 0.00 -1.74 0.00 0.00 68.15 67.60 2dlx h THR 33 CO -0.35 0.00 1.20 0.00 0.37 0.00 0.00 175.52 176.75 2dlx n ALA 34 N -2.44 1.62 -0.07 6.16 0.00 -0.75 0.13 120.51 125.16 2dlx n ALA 34 Ca -0.08 0.59 -0.14 0.00 0.00 0.00 0.00 53.44 53.82 2dlx n ALA 34 Cb 0.23 -0.99 -0.13 0.00 0.00 0.00 0.00 19.45 18.56 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 0.00 -0.29 0.00 1.57 -1.41 -3.17 116.57 113.27 2dlx h LYS 35 Ca 0.82 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.59 2dlx h LYS 35 Cb 3.24 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 35.54 2dlx h LYS 35 CO -0.05 0.98 0.15 1.05 -0.57 0.00 0.00 179.45 181.01 2dlx h GLU 36 N -0.97 0.41 -0.35 3.15 4.11 0.11 -3.02 114.58 118.03 2dlx h GLU 36 Ca -0.00 -0.06 0.08 0.00 0.07 0.00 0.00 59.36 59.45 2dlx h GLU 36 Cb 0.98 -0.08 -0.08 0.00 0.50 0.00 0.00 28.75 30.08 2dlx h GLU 36 CO 0.00 0.38 -0.18 0.00 0.07 0.00 0.00 179.01 179.28 2dlx h GLY 38 N -0.12 1.76 0.20 0.00 0.00 -1.50 -0.25 103.07 103.16 2dlx h GLY 38 Ca 0.18 -0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.30 2dlx h GLY 38 CO -0.43 -0.44 -0.10 1.46 0.00 0.00 0.00 176.54 177.03 2dlx h GLN 39 N 0.25 -0.26 -0.78 4.80 4.20 -1.15 1.64 115.11 123.81 2dlx h GLN 39 Ca 0.75 0.02 0.13 0.00 0.06 0.00 0.00 58.65 59.61 2dlx h GLN 39 Cb 1.93 0.06 -0.14 0.00 0.30 0.00 0.00 27.48 29.63 2dlx h GLN 39 CO -0.52 -0.17 -0.33 0.52 -0.67 0.00 0.00 178.83 177.66 2dlx h MET 40 N -0.41 -0.07 0.00 1.46 2.86 -1.15 0.62 114.93 118.24 2dlx h MET 40 Ca -0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 2dlx h MET 40 Cb 0.21 0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.88 2dlx h MET 40 CO 0.04 -0.05 0.00 1.96 1.06 0.00 0.00 176.91 179.93 2dlx h GLN 41 N -0.07 0.00 -5.21 1.72 4.20 -1.16 -3.48 115.11 111.11 2dlx h GLN 41 Ca 0.31 0.00 -0.32 0.00 0.06 0.00 0.00 58.65 58.70 2dlx h GLN 41 Cb 0.58 0.00 0.14 0.00 0.30 0.00 0.00 27.48 28.49 2dlx h GLN 41 CO -0.82 0.00 -0.63 0.09 -0.67 0.00 0.00 178.83 176.79 2dlx n ASN 42 N -2.96 -3.85 -4.37 1.46 4.13 0.52 -5.02 115.26 105.17 2dlx n ASN 42 Ca 0.04 -0.51 -0.22 0.00 1.68 0.00 0.00 54.58 55.57 2dlx n ASN 42 Cb 0.50 -4.50 -0.11 0.00 -1.54 0.00 0.00 39.78 34.13 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 -5.65 1.39 1.08 3.52 1.02 0.11 -4.15 119.74 117.07 2dlx s LYS 43 Ca 0.25 -1.54 -0.13 0.00 0.02 0.00 0.00 55.97 54.57 2dlx s LYS 43 Cb -0.11 -1.40 0.24 0.00 -0.52 0.00 0.00 37.83 36.04 2dlx s LYS 43 CO 0.64 0.27 1.07 -1.58 -0.92 0.00 0.00 175.35 174.82 2dlx s TRP 44 N -2.36 1.71 -0.21 3.18 0.23 0.05 -4.46 118.94 117.09 2dlx s TRP 44 Ca 0.21 0.99 0.01 0.00 -2.03 0.00 0.00 56.10 55.27 2dlx s TRP 44 Cb -0.04 -3.22 0.03 0.00 0.03 0.00 0.00 33.47 30.27 2dlx s TRP 44 CO 0.09 -3.36 -0.16 -1.17 0.96 0.00 0.00 176.95 173.31 2dlx s LEU 45 N -6.79 2.59 -0.25 2.99 2.96 -1.22 -1.54 118.68 117.43 2dlx s LEU 45 Ca 0.67 -0.83 -0.02 0.00 -0.22 0.00 0.00 54.13 53.72 2dlx s LEU 45 Cb -0.20 -1.53 0.02 0.00 0.50 0.00 0.00 46.19 44.98 2dlx s LEU 45 CO 0.60 -0.06 -0.06 -0.32 -1.32 0.00 0.00 176.35 175.19 2dlx s MET 46 N 1.26 2.87 0.02 1.98 -2.45 -1.22 -2.41 119.30 119.35 2dlx s MET 46 Ca 0.01 -0.96 0.05 0.00 -1.25 0.00 0.00 55.69 53.55 2dlx s MET 46 Cb -0.15 -3.00 -0.03 0.00 1.25 0.00 0.00 34.83 32.90 2dlx s MET 46 CO -0.10 -0.39 -0.12 0.42 1.05 0.00 0.00 175.02 175.88 2dlx s ILE 47 N 1.34 3.21 -0.16 10.11 1.01 -1.26 -3.08 121.20 132.37 2dlx s ILE 47 Ca 0.01 -0.99 -0.05 0.00 0.00 0.00 0.00 60.65 59.62 2dlx s ILE 47 Cb -0.17 -2.38 0.06 0.00 0.01 0.00 0.00 42.46 39.98 2dlx s ILE 47 CO -0.04 0.36 0.08 0.21 0.00 0.00 0.00 174.94 175.55 2dlx s ASN 48 N -1.44 2.25 -0.42 3.58 2.47 -1.15 -4.11 114.94 116.13 2dlx s ASN 48 Ca 0.16 -0.55 -0.26 0.00 0.42 0.00 0.00 52.86 52.63 2dlx s ASN 48 Cb -0.11 -0.26 0.02 0.00 -1.45 0.00 0.00 41.25 39.46 2dlx s ASN 48 CO 0.07 -0.34 0.93 -0.63 -3.72 0.00 0.00 177.10 173.41 2dlx s ILE 49 N 2.12 4.52 0.65 -5.21 -1.09 -1.25 -3.90 121.20 117.05 2dlx s ILE 49 Ca 0.02 0.97 -0.09 0.00 -2.23 0.00 0.00 60.65 59.32 2dlx s ILE 49 Cb -0.16 -4.39 0.01 0.00 -1.58 0.00 0.00 42.46 36.35 2dlx s ILE 49 CO -0.08 -0.69 1.01 -1.10 -1.23 0.00 0.00 174.94 172.85 2dlx s GLN 50 N 3.63 2.94 0.02 2.79 -0.21 -1.26 -4.54 119.66 123.03 2dlx s GLN 50 Ca 0.38 0.29 0.07 0.00 0.02 0.00 0.00 55.36 56.12 2dlx s GLN 50 Cb -0.11 -2.13 -0.02 0.00 1.00 0.00 0.00 33.01 31.75 2dlx s GLN 50 CO 0.23 -0.86 -0.21 -0.80 -2.12 0.00 0.00 175.29 171.53 2dlx s ASN 51 N -4.32 2.52 0.20 5.90 -0.87 -1.26 -4.16 114.94 112.93 2dlx s ASN 51 Ca 0.56 -0.48 0.20 0.00 -1.57 0.00 0.00 52.86 51.57 2dlx s ASN 51 Cb -0.11 -0.24 0.00 0.00 -0.02 0.00 0.00 41.25 40.89 2dlx s ASN 51 CO 0.49 0.20 1.08 -0.37 -2.57 0.00 0.00 177.10 175.94 2dlx h VAL 52 N 4.44 0.25 0.00 1.60 -1.51 -2.03 -3.40 116.25 115.60 2dlx h VAL 52 Ca -0.42 -1.44 0.00 0.00 -1.23 0.00 0.00 66.70 63.61 2dlx h VAL 52 Cb 1.15 1.82 0.00 0.00 -2.13 0.00 0.00 31.29 32.13 2dlx h VAL 52 CO 0.45 0.14 -0.59 0.00 -1.23 0.00 0.00 177.57 176.34 2dlx n GLN 53 N -2.85 0.38 -1.63 5.19 6.02 -1.26 -4.97 117.38 118.26 2dlx n GLN 53 Ca -0.02 0.31 -0.39 0.00 -0.01 0.00 0.00 57.00 56.88 2dlx n GLN 53 Cb 0.66 -1.34 0.03 0.00 1.02 0.00 0.00 30.24 30.61 2dlx n GLN 53 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 2dlx n ASP 54 N -4.04 1.20 -0.10 1.08 9.92 -1.26 -4.94 116.55 118.41 2dlx n ASP 54 Ca -0.08 0.92 -0.11 0.00 -0.53 0.00 0.00 54.79 55.00 2dlx n ASP 54 Cb 0.31 -1.40 -0.16 0.00 -0.64 0.00 0.00 41.12 39.23 2dlx n ASP 54 CO 0.00 0.00 0.00 2.22 0.13 0.00 0.00 177.20 179.55 2dlx n PHE 55 N -1.10 0.03 -0.33 1.24 1.16 -1.26 -4.51 117.46 112.68 2dlx n PHE 55 Ca 0.11 0.01 -0.01 0.00 -1.87 0.00 0.00 57.45 55.70 2dlx n PHE 55 Cb 0.44 -1.01 0.04 0.00 -1.61 0.00 0.00 39.48 37.34 2dlx n PHE 55 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2dlx n ALA 56 N -2.78 -0.09 -0.25 1.98 0.00 -1.26 0.75 120.51 118.85 2dlx n ALA 56 Ca -0.33 0.86 0.02 0.00 0.00 0.00 0.00 53.44 53.98 2dlx n ALA 56 Cb 1.15 -0.39 0.10 0.00 0.00 0.00 0.00 19.45 20.31 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 0.02 -0.12 -1.01 0.00 1.08 0.06 -1.18 115.11 113.96 2dlx h GLN 58 Ca 0.37 0.01 0.36 0.00 -1.45 0.00 0.00 58.65 57.93 2dlx h GLN 58 Cb 0.59 0.03 -0.16 0.00 -0.05 0.00 0.00 27.48 27.88 2dlx h GLN 58 CO -0.73 -0.08 0.57 0.00 -0.95 0.00 0.00 178.83 177.64 2dlx h LEU 60 N 0.21 -0.40 -1.70 0.00 3.38 -0.59 -2.44 115.31 113.78 2dlx h LEU 60 Ca 0.78 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.76 2dlx h LEU 60 Cb 1.90 0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.75 2dlx h LEU 60 CO -0.65 -0.28 0.25 -1.13 0.09 0.00 0.00 178.44 176.71 2dlx h ASN 61 N -0.47 0.00 -0.35 -0.43 -1.24 -0.09 -0.86 115.58 112.15 2dlx h ASN 61 Ca -0.05 0.00 0.04 0.00 0.71 0.00 0.00 56.30 57.00 2dlx h ASN 61 Cb 0.36 0.00 -0.07 0.00 0.73 0.00 0.00 38.32 39.34 2dlx h ASN 61 CO 0.08 0.00 -0.44 -0.09 -1.29 0.00 0.00 177.43 175.69 2dlx h ARG 62 N 0.00 -0.29 0.00 6.67 2.43 -0.47 -3.08 114.38 119.64 2dlx h ARG 62 Ca 0.00 0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.15 2dlx h ARG 62 Cb 0.50 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.11 2dlx h ARG 62 CO 0.00 -0.19 -1.15 -0.25 -1.51 0.00 0.00 179.97 176.87 2dlx n ASP 63 N -4.80 3.96 0.02 -3.80 9.92 -1.08 -4.39 116.55 116.38 2dlx n ASP 63 Ca -0.03 -0.01 -0.02 0.00 -0.53 0.00 0.00 54.79 54.20 2dlx n ASP 63 Cb 0.26 0.10 -0.01 0.00 -0.64 0.00 0.00 41.12 40.83 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 -0.09 2.53 2.07 -1.33 0.44 116.25 119.86 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 -2.87 0.26 -0.04 1.57 5.03 -1.23 -3.35 117.44 116.82 2dlx n TRP 65 Ca -0.01 -0.10 -0.05 0.00 3.03 0.00 0.00 57.50 60.37 2dlx n TRP 65 Cb 0.06 -0.11 -0.06 0.00 -1.03 0.00 0.00 31.31 30.17 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 0.01 3.02 -4.54 -0.99 2.88 -0.68 -4.85 113.62 108.47 2dlx n SER 66 Ca 0.04 -0.01 -0.43 0.00 -1.33 0.00 0.00 58.87 57.14 2dlx n SER 66 Cb 0.30 0.56 -0.05 0.00 -0.75 0.00 0.00 64.21 64.27 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 -2.38 2.50 -0.26 -3.46 2.85 0.15 -4.81 115.26 109.84 2dlx n ASN 67 Ca -0.14 0.03 0.02 0.00 -0.11 0.00 0.00 54.58 54.38 2dlx n ASN 67 Cb 0.75 -1.45 0.06 0.00 1.24 0.00 0.00 39.78 40.38 2dlx n ASN 67 CO 0.00 0.00 0.00 1.21 -2.11 0.00 0.00 177.26 176.36 2dlx n GLU 68 N 8.69 -0.12 -0.29 1.20 2.13 -1.26 0.16 120.64 131.15 2dlx n GLU 68 Ca 0.37 1.07 0.07 0.00 0.66 0.00 0.00 57.16 59.34 2dlx n GLU 68 Cb 0.40 -1.60 0.18 0.00 0.27 0.00 0.00 31.44 30.68 2dlx n GLU 68 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2dlx h ALA 69 N 1.16 0.82 -0.07 4.31 0.00 -1.97 0.76 119.26 124.26 2dlx h ALA 69 Ca 0.28 0.29 -0.10 0.00 0.00 0.00 0.00 54.91 55.38 2dlx h ALA 69 Cb 0.46 0.52 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 2dlx h ALA 69 CO -0.70 -0.45 -0.43 0.28 0.00 0.00 0.00 179.25 177.95 2dlx h VAL 70 N 0.06 1.32 0.30 0.00 2.07 0.12 -2.82 116.25 117.29 2dlx h VAL 70 Ca 0.46 -1.54 -0.01 0.00 0.82 0.00 0.00 66.70 66.42 2dlx h VAL 70 Cb 0.82 1.74 0.00 0.00 -1.52 0.00 0.00 31.29 32.33 2dlx h VAL 70 CO -0.78 0.45 -0.14 0.11 0.02 0.00 0.00 177.57 177.23 2dlx h LYS 71 N 0.14 -0.38 -0.46 1.57 1.57 0.11 0.49 116.57 119.61 2dlx h LYS 71 Ca 0.01 0.03 0.13 0.00 -1.87 0.00 0.00 60.65 58.95 2dlx h LYS 71 Cb 0.82 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.20 2dlx h LYS 71 CO 0.06 -0.05 0.36 -2.95 -0.57 0.00 0.00 179.45 176.31 2dlx h ASN 72 N -0.82 0.00 0.12 0.86 7.08 -0.60 0.40 115.58 122.62 2dlx h ASN 72 Ca -0.04 0.00 -0.18 0.00 -3.08 0.00 0.00 56.30 53.00 2dlx h ASN 72 Cb 0.52 0.00 0.01 0.00 -2.08 0.00 0.00 38.32 36.77 2dlx h ASN 72 CO 0.07 0.00 -0.82 0.40 -2.08 0.00 0.00 177.43 174.99 2dlx h ILE 73 N 0.00 1.46 0.00 6.14 2.04 -1.40 -0.58 117.51 125.17 2dlx h ILE 73 Ca 0.22 -2.49 0.00 0.00 1.00 0.00 0.00 64.86 63.59 2dlx h ILE 73 Cb 0.93 3.13 0.00 0.00 -0.74 0.00 0.00 36.82 40.14 2dlx h ILE 73 CO -0.00 0.69 0.00 0.40 0.00 0.00 0.00 178.15 179.24 2dlx h ILE 74 N -0.45 0.00 0.02 -0.67 2.04 0.10 0.14 117.51 118.68 2dlx h ILE 74 Ca -0.16 -0.42 -0.37 0.00 1.00 0.00 0.00 64.86 64.92 2dlx h ILE 74 Cb 1.58 1.29 -0.06 0.00 -0.74 0.00 0.00 36.82 38.90 2dlx h ILE 74 CO 0.11 0.00 -2.27 -2.11 0.00 0.00 0.00 178.15 173.88 2dlx n ARG 75 N -2.62 0.68 -0.04 2.37 -4.01 0.13 -2.29 116.66 110.87 2dlx n ARG 75 Ca 0.02 0.14 -0.02 0.00 -1.04 0.00 0.00 57.85 56.95 2dlx n ARG 75 Cb 0.30 -1.59 -0.01 0.00 -3.04 0.00 0.00 32.46 28.13 2dlx n ARG 75 CO 0.00 0.00 0.00 1.49 -3.04 0.00 0.00 177.63 176.08 2dlx h GLU 76 N 0.01 0.00 -0.30 2.89 4.81 -1.02 -3.40 114.58 117.57 2dlx h GLU 76 Ca -0.51 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 58.62 2dlx h GLU 76 Cb 2.04 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.41 2dlx h GLU 76 CO -0.00 0.00 -0.26 0.45 -0.73 0.00 0.00 179.01 178.47 2dlx h HIS 77 N -0.67 0.66 -1.77 0.92 3.86 -0.93 -3.46 115.15 113.76 2dlx h HIS 77 Ca 0.00 -0.15 -0.59 0.00 -1.16 0.00 0.00 60.37 58.47 2dlx h HIS 77 Cb 0.22 -0.16 -0.13 0.00 1.06 0.00 0.00 27.41 28.40 2dlx h HIS 77 CO -0.09 0.79 -0.54 -0.06 0.86 0.00 0.00 177.93 178.88 2dlx s PHE 78 N -4.50 1.95 -0.39 2.45 0.40 -0.77 -0.77 117.98 116.35 2dlx s PHE 78 Ca -0.08 -1.02 -0.07 0.00 -0.60 0.00 0.00 56.93 55.16 2dlx s PHE 78 Cb 0.13 -1.42 0.07 0.00 0.51 0.00 0.00 43.02 42.31 2dlx s PHE 78 CO 0.81 0.05 0.19 0.42 0.70 0.00 0.00 175.22 177.39 2dlx s ILE 79 N -3.04 3.93 -0.21 0.64 -1.09 -0.59 -3.07 121.20 117.77 2dlx s ILE 79 Ca 0.22 -1.38 -0.29 0.00 -2.23 0.00 0.00 60.65 56.97 2dlx s ILE 79 Cb 0.04 -3.37 -0.06 0.00 -1.58 0.00 0.00 42.46 37.49 2dlx s ILE 79 CO 0.11 -0.40 2.20 0.33 -1.23 0.00 0.00 174.94 175.95 2dlx n PHE 80 N 4.83 1.97 -3.58 3.97 7.35 -0.97 -3.43 117.46 127.61 2dlx n PHE 80 Ca -0.10 -0.11 -0.26 0.00 -0.76 0.00 0.00 57.45 56.22 2dlx n PHE 80 Cb 0.43 -2.72 -0.16 0.00 0.35 0.00 0.00 39.48 37.39 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 7.94 0.18 -0.16 -5.13 -0.00 -1.18 -3.39 118.94 117.20 2dlx s TRP 81 Ca 1.01 -0.43 0.01 0.00 -0.00 0.00 0.00 56.10 56.69 2dlx s TRP 81 Cb -0.39 -0.72 0.02 0.00 -0.00 0.00 0.00 33.47 32.37 2dlx s TRP 81 CO 0.37 -0.62 -0.19 -1.14 -0.00 0.00 0.00 176.95 175.37 2dlx s GLN 82 N 2.15 2.86 -0.02 5.86 0.74 -1.26 -2.91 119.66 127.07 2dlx s GLN 82 Ca 0.05 -0.78 0.01 0.00 0.05 0.00 0.00 55.36 54.68 2dlx s GLN 82 Cb -0.16 -2.43 0.01 0.00 1.10 0.00 0.00 33.01 31.53 2dlx s GLN 82 CO -0.18 -0.16 -0.01 0.14 -0.55 0.00 0.00 175.29 174.53 2dlx s VAL 83 N 1.18 0.19 0.38 1.34 -7.23 -1.25 -5.05 120.40 109.97 2dlx s VAL 83 Ca 0.01 -0.00 -0.27 0.00 -1.81 0.00 0.00 61.98 59.91 2dlx s VAL 83 Cb -0.14 -0.24 -0.09 0.00 0.56 0.00 0.00 36.38 36.48 2dlx s VAL 83 CO -0.09 0.11 1.27 -0.31 -0.31 0.00 0.00 175.10 175.77 2dlx s TYR 84 N 0.54 2.95 0.11 2.82 1.51 -1.26 -4.16 117.35 119.87 2dlx s TYR 84 Ca -0.05 1.45 -0.23 0.00 -1.01 0.00 0.00 57.07 57.22 2dlx s TYR 84 Cb -0.08 -3.61 -0.09 0.00 -0.11 0.00 0.00 41.96 38.07 2dlx s TYR 84 CO -0.01 -1.84 1.70 1.12 -1.11 0.00 0.00 175.55 175.41 2dlx h HIS 85 N 2.91 -0.21 -0.99 2.71 2.07 -1.83 -2.24 115.15 117.56 2dlx h HIS 85 Ca -0.49 0.01 0.35 0.00 -2.85 0.00 0.00 60.37 57.39 2dlx h HIS 85 Cb 1.24 0.10 -0.17 0.00 2.57 0.00 0.00 27.41 31.15 2dlx h HIS 85 CO 0.54 -0.13 0.44 0.22 -3.07 0.00 0.00 177.93 175.93 2dlx h ASP 86 N -0.14 0.23 -2.32 3.10 3.58 -1.92 -2.33 116.42 116.62 2dlx h ASP 86 Ca 0.04 0.24 -0.43 0.00 0.42 0.00 0.00 57.03 57.30 2dlx h ASP 86 Cb 0.19 0.26 0.22 0.00 1.72 0.00 0.00 39.33 41.73 2dlx h ASP 86 CO -0.11 -0.30 -0.94 -1.54 -2.88 0.00 0.00 179.24 173.47 2dlx n SER 87 N -5.23 -2.46 -0.04 2.28 3.41 -0.84 -4.77 113.62 105.97 2dlx n SER 87 Ca 0.32 -0.19 -0.16 0.00 -0.26 0.00 0.00 58.87 58.59 2dlx n SER 87 Cb 1.05 -0.95 -0.08 0.00 -0.26 0.00 0.00 64.21 63.97 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 -2.23 0.54 0.00 4.33 4.39 -1.84 -2.91 114.58 116.85 2dlx h GLU 88 Ca -0.52 -0.41 -0.09 0.00 0.34 0.00 0.00 59.36 58.69 2dlx h GLU 88 Cb 1.31 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 30.02 2dlx h GLU 88 CO 0.37 1.04 -0.41 1.05 -1.16 0.00 0.00 179.01 179.90 2dlx h GLU 89 N 0.15 0.00 -0.27 2.33 9.09 -1.88 -3.12 114.58 120.88 2dlx h GLU 89 Ca -0.02 0.00 -0.15 0.00 0.05 0.00 0.00 59.36 59.23 2dlx h GLU 89 Cb 1.10 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.19 2dlx h GLU 89 CO 0.10 0.41 -0.45 0.78 0.05 0.00 0.00 179.01 179.90 2dlx h GLY 90 N 2.10 0.75 0.73 1.06 0.00 -1.62 -3.26 103.07 102.84 2dlx h GLY 90 Ca -0.00 -0.79 -0.03 0.00 0.00 0.00 0.00 47.33 46.50 2dlx h GLY 90 CO 0.05 0.72 -0.27 1.46 0.00 0.00 0.00 176.54 178.50 2dlx h GLN 91 N 0.55 -0.72 -0.60 4.80 1.08 -1.21 -3.29 115.11 115.73 2dlx h GLN 91 Ca 0.04 0.05 0.05 0.00 -1.45 0.00 0.00 58.65 57.34 2dlx h GLN 91 Cb 0.99 0.16 -0.07 0.00 -0.05 0.00 0.00 27.48 28.51 2dlx h GLN 91 CO 0.09 -0.41 -0.35 0.54 -0.95 0.00 0.00 178.83 177.75 2dlx n ARG 92 N -5.31 -0.26 -0.30 1.46 1.74 -1.20 0.52 116.66 113.31 2dlx n ARG 92 Ca -0.11 1.13 0.07 0.00 -0.77 0.00 0.00 57.85 58.17 2dlx n ARG 92 Cb 0.33 -1.67 0.15 0.00 -1.02 0.00 0.00 32.46 30.26 2dlx n ARG 92 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 2dlx n TYR 93 N -4.44 0.36 -0.21 -1.55 9.36 -1.23 -0.14 117.16 119.32 2dlx n TYR 93 Ca 0.01 1.01 -0.13 0.00 3.32 0.00 0.00 57.90 62.11 2dlx n TYR 93 Cb 0.16 -1.02 -0.10 0.00 -0.63 0.00 0.00 39.34 37.74 2dlx n TYR 93 CO 0.00 0.00 0.00 0.82 0.22 0.00 0.00 176.86 177.90 2dlx h ILE 94 N 0.00 0.00 -0.98 2.97 2.04 -0.01 0.18 117.51 121.71 2dlx h ILE 94 Ca 0.43 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.44 2dlx h ILE 94 Cb 0.73 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.72 2dlx h ILE 94 CO -0.84 0.00 0.62 1.56 0.00 0.00 0.00 178.15 179.49 2dlx h GLN 95 N -0.31 0.83 -0.35 2.37 1.08 -0.53 1.94 115.11 120.14 2dlx h GLN 95 Ca 0.09 -0.05 0.03 0.00 -1.45 0.00 0.00 58.65 57.28 2dlx h GLN 95 Cb 0.55 -0.19 -0.04 0.00 -0.05 0.00 0.00 27.48 27.75 2dlx h GLN 95 CO -0.68 0.55 -0.21 0.34 -0.95 0.00 0.00 178.83 177.88 2dlx n PHE 96 N -4.65 -0.15 -0.55 2.96 -0.00 0.62 -2.21 117.46 113.48 2dlx n PHE 96 Ca 0.20 0.44 0.07 0.00 -0.00 0.00 0.00 57.45 58.16 2dlx n PHE 96 Cb 0.46 -0.52 0.20 0.00 -0.00 0.00 0.00 39.48 39.61 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 -3.78 0.68 -3.65 -5.13 4.02 -1.09 -4.97 117.16 103.24 2dlx n TYR 97 Ca 0.01 -0.67 -0.23 0.00 -0.01 0.00 0.00 57.90 56.99 2dlx n TYR 97 Cb 0.09 -0.16 0.06 0.00 -0.02 0.00 0.00 39.34 39.31 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 0.03 -6.47 -1.18 -0.72 4.76 0.64 -4.93 118.16 110.28 2dlx n LYS 98 Ca 0.16 0.74 -0.34 0.00 -2.87 0.00 0.00 58.31 56.00 2dlx n LYS 98 Cb 0.64 -5.65 0.12 0.00 -1.84 0.00 0.00 35.03 28.30 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 3.18 -0.16 -0.35 0.20 0.13 -4.96 118.68 109.79 2dlx s LEU 99 Ca 0.34 2.38 0.06 0.00 0.69 0.00 0.00 54.13 57.60 2dlx s LEU 99 Cb -0.16 -4.59 0.19 0.00 -0.43 0.00 0.00 46.19 41.20 2dlx s LEU 99 CO 0.77 -2.59 0.98 0.61 -0.29 0.00 0.00 176.35 175.83 2dlx n GLY 100 N 0.49 0.41 3.79 7.98 0.00 -1.26 -4.86 105.19 111.74 2dlx n GLY 100 Ca 0.14 -0.08 -0.05 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.52 -0.21 -0.03 1.61 1.47 -1.26 -5.19 116.67 112.54 2dlx s ASP 101 Ca 0.04 -0.48 -0.29 0.00 1.18 0.00 0.00 52.55 53.00 2dlx s ASP 101 Cb 0.21 0.58 0.08 0.00 -0.34 0.00 0.00 42.92 43.45 2dlx s ASP 101 CO -0.06 -1.07 0.74 -0.36 0.68 0.00 0.00 175.17 175.10 2dlx s PHE 102 N -3.52 -0.56 0.59 2.11 0.40 -1.26 -4.27 117.98 111.48 2dlx s PHE 102 Ca 0.12 0.82 -0.17 0.00 -0.60 0.00 0.00 56.93 57.09 2dlx s PHE 102 Cb -0.03 0.45 -0.03 0.00 0.51 0.00 0.00 43.02 43.92 2dlx s PHE 102 CO 0.04 -0.60 1.12 -1.25 0.70 0.00 0.00 175.22 175.23 2dlx s PRO 103 N -1.80 3.11 -0.07 0.24 0.04 -1.26 -5.05 135.00 130.21 2dlx s PRO 103 Ca -0.06 1.52 -0.01 0.00 0.04 0.00 0.00 61.00 62.49 2dlx s PRO 103 Cb -0.00 -1.98 0.03 0.00 0.04 0.00 0.00 34.50 32.58 2dlx s PRO 103 CO 0.03 -1.02 -0.01 -0.47 0.04 0.00 0.00 177.00 175.56 2dlx s TYR 104 N -2.02 0.72 -0.04 0.56 6.14 -1.26 -4.74 117.35 116.71 2dlx s TYR 104 Ca 0.70 -0.21 -0.03 0.00 0.64 0.00 0.00 57.07 58.18 2dlx s TYR 104 Cb -0.22 -0.79 0.02 0.00 0.42 0.00 0.00 41.96 41.39 2dlx s TYR 104 CO 0.33 -0.31 0.10 0.08 0.64 0.00 0.00 175.55 176.39 2dlx s VAL 105 N 1.72 -0.02 0.10 3.14 1.01 -0.99 -3.75 120.40 121.61 2dlx s VAL 105 Ca 0.01 0.07 -0.20 0.00 0.00 0.00 0.00 61.98 61.86 2dlx s VAL 105 Cb -0.13 -0.15 0.05 0.00 0.00 0.00 0.00 36.38 36.15 2dlx s VAL 105 CO -0.04 0.03 0.49 -0.94 0.00 0.00 0.00 175.10 174.63 2dlx s SER 106 N 0.44 -0.38 -0.26 3.32 1.04 -1.26 -1.12 113.70 115.47 2dlx s SER 106 Ca -0.03 -0.06 -0.13 0.00 0.48 0.00 0.00 55.95 56.20 2dlx s SER 106 Cb -0.05 0.51 -0.04 0.00 0.10 0.00 0.00 66.02 66.54 2dlx s SER 106 CO -0.02 -0.82 0.30 -0.63 0.98 0.00 0.00 173.24 173.05 2dlx s ILE 107 N -3.26 5.23 0.14 -1.02 1.01 -1.14 -4.00 121.20 118.16 2dlx s ILE 107 Ca -0.01 0.43 0.04 0.00 0.00 0.00 0.00 60.65 61.12 2dlx s ILE 107 Cb 0.00 -3.64 -0.04 0.00 0.01 0.00 0.00 42.46 38.80 2dlx s ILE 107 CO -0.08 0.21 0.13 -0.22 0.00 0.00 0.00 174.94 174.97 2dlx s LEU 108 N 1.83 3.83 -0.37 2.97 1.98 -1.01 -2.03 118.68 125.88 2dlx s LEU 108 Ca 0.12 -0.08 -0.18 0.00 -2.89 0.00 0.00 54.13 51.10 2dlx s LEU 108 Cb -0.16 -2.45 0.00 0.00 0.66 0.00 0.00 46.19 44.24 2dlx s LEU 108 CO 0.10 0.10 0.50 -0.62 -1.89 0.00 0.00 176.35 174.53 2dlx s ASP 109 N -2.91 6.28 0.00 3.68 -1.08 -0.96 -3.39 116.67 118.29 2dlx s ASP 109 Ca 0.31 -0.19 0.14 0.00 -0.52 0.00 0.00 52.55 52.29 2dlx s ASP 109 Cb -0.11 -2.26 0.62 0.00 -1.46 0.00 0.00 42.92 39.72 2dlx s ASP 109 CO 0.23 -0.51 1.45 -0.81 0.52 0.00 0.00 175.17 176.05 2dlx n PRO 110 N 5.73 0.03 0.00 4.34 -0.04 -1.26 -0.22 135.00 143.58 2dlx n PRO 110 Ca -0.05 0.24 0.00 0.00 -0.04 0.00 0.00 63.50 63.65 2dlx n PRO 110 Cb 0.49 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 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 -1.47 0.00 0.07 0.54 1.74 -1.26 -4.63 116.66 111.64 2dlx n ARG 111 Ca 0.04 0.08 -0.13 0.00 -0.77 0.00 0.00 57.85 57.08 2dlx n ARG 111 Cb 0.16 -0.52 -0.04 0.00 -1.02 0.00 0.00 32.46 31.04 2dlx n ARG 111 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2dlx h THR 112 N 0.00 1.41 0.00 0.55 1.03 -2.00 -3.47 112.91 110.42 2dlx h THR 112 Ca 0.00 -2.45 0.00 0.00 -0.01 0.00 0.00 66.41 63.95 2dlx h THR 112 Cb 0.00 2.40 0.00 0.00 -1.07 0.00 0.00 68.15 69.48 2dlx h THR 112 CO 0.00 0.73 0.00 0.61 -0.01 0.00 0.00 175.52 176.85 2dlx n GLY 113 N 0.92 0.67 3.84 2.99 0.00 0.69 -5.04 105.19 109.25 2dlx n GLY 113 Ca -0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.74 4.03 -0.09 1.61 -2.07 -1.26 -4.60 119.66 116.55 2dlx s GLN 114 Ca 0.00 0.85 -0.30 0.00 -1.82 0.00 0.00 55.36 54.09 2dlx s GLN 114 Cb 0.00 -2.28 -0.03 0.00 -1.09 0.00 0.00 33.01 29.62 2dlx s GLN 114 CO 0.00 -0.03 1.22 0.21 -1.32 0.00 0.00 175.29 175.37 2dlx s LYS 115 N -3.43 4.31 -0.11 9.60 2.36 -1.26 -2.26 119.74 128.95 2dlx s LYS 115 Ca 0.57 1.68 -0.21 0.00 -2.55 0.00 0.00 55.97 55.46 2dlx s LYS 115 Cb -0.10 -3.62 -0.27 0.00 -1.05 0.00 0.00 37.83 32.80 2dlx s LYS 115 CO 0.21 -0.53 0.63 -0.07 1.55 0.00 0.00 175.35 177.14 2dlx h LEU 116 N 8.66 0.27 -8.28 5.43 3.38 -1.75 -3.49 115.31 119.52 2dlx h LEU 116 Ca -0.32 -0.85 -0.12 0.00 0.09 0.00 0.00 57.88 56.68 2dlx h LEU 116 Cb 1.14 -0.09 -0.12 0.00 0.09 0.00 0.00 40.66 41.69 2dlx h LEU 116 CO 0.91 1.42 -0.31 0.68 0.09 0.00 0.00 178.44 181.23 2dlx s VAL 117 N -2.40 0.02 -0.08 1.22 -7.23 -1.21 -5.03 120.40 105.69 2dlx s VAL 117 Ca -0.20 -1.55 -0.03 0.00 -1.81 0.00 0.00 61.98 58.39 2dlx s VAL 117 Cb 0.02 -2.16 0.05 0.00 0.56 0.00 0.00 36.38 34.85 2dlx s VAL 117 CO 0.74 -0.09 0.17 -1.61 -0.31 0.00 0.00 175.10 174.00 2dlx s GLU 118 N -4.04 0.08 -0.05 4.82 2.02 -1.26 -2.89 118.70 117.38 2dlx s GLU 118 Ca 0.25 0.51 0.04 0.00 0.02 0.00 0.00 54.97 55.79 2dlx s GLU 118 Cb 0.03 -0.20 0.00 0.00 0.10 0.00 0.00 34.13 34.05 2dlx s GLU 118 CO 0.07 -0.24 -0.16 -1.58 0.02 0.00 0.00 175.26 173.37 2dlx s TRP 119 N 1.82 1.62 -0.22 1.61 0.51 -0.28 -5.01 118.94 118.98 2dlx s TRP 119 Ca -0.03 -0.50 -0.09 0.00 -2.12 0.00 0.00 56.10 53.36 2dlx s TRP 119 Cb -0.12 -1.11 -0.18 0.00 -0.81 0.00 0.00 33.47 31.25 2dlx s TRP 119 CO -0.06 -0.19 -0.04 1.58 -0.51 0.00 0.00 176.95 177.73 2dlx n HIS 120 N 3.31 0.50 -4.87 -1.98 -0.00 -1.26 -2.35 115.22 108.57 2dlx n HIS 120 Ca -0.19 0.15 -0.30 0.00 0.46 0.00 0.00 57.72 57.84 2dlx n HIS 120 Cb 0.53 -1.06 -0.14 0.00 -0.12 0.00 0.00 29.99 29.20 2dlx n HIS 120 CO 0.00 0.00 0.00 -0.65 0.46 0.00 0.00 176.34 176.15 2dlx s GLN 121 N -2.49 1.92 0.07 1.57 -0.21 -1.26 -4.49 119.66 114.76 2dlx s GLN 121 Ca -0.32 -1.05 -0.04 0.00 0.02 0.00 0.00 55.36 53.97 2dlx s GLN 121 Cb 0.09 -2.05 -0.03 0.00 1.00 0.00 0.00 33.01 32.03 2dlx s GLN 121 CO 0.61 0.53 0.05 -0.51 -2.12 0.00 0.00 175.29 173.84 2dlx s LEU 122 N -1.23 2.09 0.17 2.90 1.43 -1.26 -4.99 118.68 117.78 2dlx s LEU 122 Ca 0.12 -0.90 -0.07 0.00 -1.03 0.00 0.00 54.13 52.26 2dlx s LEU 122 Cb -0.10 0.49 -0.02 0.00 0.03 0.00 0.00 46.19 46.59 2dlx s LEU 122 CO 0.03 -0.65 0.23 -0.62 0.23 0.00 0.00 176.35 175.56 2dlx s ASP 123 N -2.91 0.10 0.22 2.29 2.15 -1.26 -4.92 116.67 112.34 2dlx s ASP 123 Ca 0.07 -1.00 -0.08 0.00 0.43 0.00 0.00 52.55 51.97 2dlx s ASP 123 Cb 0.07 0.41 0.27 0.00 -0.30 0.00 0.00 42.92 43.37 2dlx s ASP 123 CO -0.10 -0.87 1.82 0.58 -0.17 0.00 0.00 175.17 176.43 2dlx h VAL 124 N 2.61 0.98 0.00 1.11 2.07 -1.94 0.33 116.25 121.40 2dlx h VAL 124 Ca -0.32 -0.26 -0.00 0.00 0.82 0.00 0.00 66.70 66.94 2dlx h VAL 124 Cb 1.22 0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 31.16 2dlx h VAL 124 CO 0.50 0.14 -0.02 -1.28 0.02 0.00 0.00 177.57 176.93 2dlx h SER 125 N 0.74 0.00 0.34 0.57 0.87 -1.98 -3.13 113.55 110.97 2dlx h SER 125 Ca 0.32 -0.48 -0.00 0.00 -1.23 0.00 0.00 61.79 60.39 2dlx h SER 125 Cb 0.20 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.13 2dlx h SER 125 CO -0.19 0.75 -0.48 0.28 -0.53 0.00 0.00 176.83 176.66 2dlx h SER 126 N -1.00 -1.37 -0.58 6.23 0.02 -1.95 -1.64 113.55 113.26 2dlx h SER 126 Ca -0.00 0.12 0.11 0.00 -0.84 0.00 0.00 61.79 61.18 2dlx h SER 126 Cb 0.50 0.47 -0.11 0.00 0.14 0.00 0.00 62.40 63.40 2dlx h SER 126 CO -0.00 -0.59 -0.31 0.15 -1.14 0.00 0.00 176.83 174.94 2dlx h PHE 127 N -0.86 -0.84 -0.12 3.45 3.57 -0.53 0.99 116.94 122.61 2dlx h PHE 127 Ca -0.04 0.07 0.04 0.00 3.53 0.00 0.00 57.97 61.56 2dlx h PHE 127 Cb 0.78 0.45 -0.00 0.00 2.79 0.00 0.00 35.95 39.97 2dlx h PHE 127 CO -0.32 -0.37 0.23 -0.07 -2.23 0.00 0.00 178.31 175.56 2dlx h LEU 128 N -0.15 0.00 0.00 0.59 3.38 -1.42 0.16 115.31 117.87 2dlx h LEU 128 Ca 0.24 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.18 2dlx h LEU 128 Cb 0.54 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 2dlx h LEU 128 CO -0.66 0.00 -0.47 0.44 0.09 0.00 0.00 178.44 177.84 2dlx h ASP 129 N 0.00 0.00 -0.81 -0.43 3.32 0.18 -3.09 116.42 115.59 2dlx h ASP 129 Ca 0.06 -0.11 0.12 0.00 0.02 0.00 0.00 57.03 57.12 2dlx h ASP 129 Cb 0.52 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.02 2dlx h ASP 129 CO -0.00 0.80 0.53 0.06 -1.72 0.00 0.00 179.24 178.91 2dlx h GLN 130 N -1.00 0.62 0.58 3.56 3.07 -0.13 0.33 115.11 122.14 2dlx h GLN 130 Ca -0.04 -0.04 -0.03 0.00 0.09 0.00 0.00 58.65 58.63 2dlx h GLN 130 Cb 0.52 -0.14 0.01 0.00 0.08 0.00 0.00 27.48 27.94 2dlx h GLN 130 CO -0.03 0.41 -0.28 0.28 0.09 0.00 0.00 178.83 179.31 2dlx h VAL 131 N 0.64 0.00 -0.46 1.86 2.07 -0.86 0.19 116.25 119.70 2dlx h VAL 131 Ca 0.39 -0.41 0.09 0.00 0.82 0.00 0.00 66.70 67.58 2dlx h VAL 131 Cb 0.62 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.31 2dlx h VAL 131 CO -0.15 0.00 0.00 0.71 0.02 0.00 0.00 177.57 178.15 2dlx h THR 132 N -1.19 0.65 -0.52 2.57 1.35 -1.41 0.00 112.91 114.36 2dlx h THR 132 Ca -0.08 -0.04 -0.05 0.00 -0.55 0.00 0.00 66.41 65.69 2dlx h THR 132 Cb 0.60 0.52 -0.02 0.00 -1.73 0.00 0.00 68.15 67.52 2dlx h THR 132 CO 0.13 0.02 0.13 1.23 -0.25 0.00 0.00 175.52 176.78 2dlx h GLY 133 N 0.12 0.90 1.01 5.82 0.00 -1.01 -2.87 103.07 107.03 2dlx h GLY 133 Ca 0.23 -0.56 0.01 0.00 0.00 0.00 0.00 47.33 47.00 2dlx h GLY 133 CO -0.38 0.53 0.65 -2.75 0.00 0.00 0.00 176.54 174.58 2dlx h PHE 134 N 0.73 1.25 -0.49 5.60 3.04 -0.20 -1.41 116.94 125.46 2dlx h PHE 134 Ca 0.16 0.03 0.02 0.00 3.98 0.00 0.00 57.97 62.16 2dlx h PHE 134 Cb 0.34 -0.42 -0.03 0.00 2.56 0.00 0.00 35.95 38.39 2dlx h PHE 134 CO 0.02 0.79 0.30 -0.07 -2.02 0.00 0.00 178.31 177.33 2dlx h LEU 135 N 1.34 0.48 0.51 0.59 3.38 -0.83 -1.96 115.31 118.83 2dlx h LEU 135 Ca 0.36 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.31 2dlx h LEU 135 Cb -0.14 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.51 2dlx h LEU 135 CO -0.08 0.34 -0.24 1.23 0.09 0.00 0.00 178.44 179.78 2dlx h GLY 136 N 0.59 -0.71 -0.48 0.83 0.00 -1.25 1.93 103.07 103.98 2dlx h GLY 136 Ca 0.19 0.26 0.20 0.00 0.00 0.00 0.00 47.33 47.98 2dlx h GLY 136 CO -0.08 -0.26 0.04 1.05 0.00 0.00 0.00 176.54 177.28 2dlx h GLU 137 N -1.02 0.10 0.00 4.80 4.11 -1.25 -3.18 114.58 118.14 2dlx h GLU 137 Ca -0.07 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.35 2dlx h GLU 137 Cb 0.61 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.83 2dlx h GLU 137 CO 0.11 0.07 -0.18 0.45 0.07 0.00 0.00 179.01 179.53 2dlx h HIS 138 N 0.10 0.00 0.00 2.06 3.86 -1.36 -3.48 115.15 116.33 2dlx h HIS 138 Ca 0.46 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.67 2dlx h HIS 138 Cb 0.86 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.33 2dlx h HIS 138 CO -0.42 0.00 0.00 0.41 0.86 0.00 0.00 177.93 178.78 2dlx n GLY 139 N 1.73 2.42 3.51 2.45 0.00 0.65 -4.71 105.19 111.24 2dlx n GLY 139 Ca -0.02 -1.80 -0.35 0.00 0.00 0.00 0.00 46.02 43.85 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 1.44 0.10 0.21 1.61 -0.06 -1.26 -4.89 117.38 114.53 2dlx n GLN 140 Ca 0.00 0.09 -0.15 0.00 -2.00 0.00 0.00 57.00 54.94 2dlx n GLN 140 Cb 0.00 -1.99 -0.08 0.00 -4.06 0.00 0.00 30.24 24.11 2dlx n GLN 140 CO 0.00 0.00 0.00 -0.07 -0.20 0.00 0.00 177.06 176.79 2dlx h LEU 141 N -0.85 -1.19 -0.85 1.69 4.07 -1.97 -2.47 115.31 113.74 2dlx h LEU 141 Ca -0.45 0.10 0.20 0.00 0.08 0.00 0.00 57.88 57.81 2dlx h LEU 141 Cb 1.32 0.40 -0.16 0.00 1.08 0.00 0.00 40.66 43.30 2dlx h LEU 141 CO 0.41 -0.53 -0.11 -0.90 -1.08 0.00 0.00 178.44 176.23 2dlx n ASP 142 N -4.95 -0.21 -4.32 -0.43 5.75 -1.26 -4.53 116.55 106.60 2dlx n ASP 142 Ca -0.09 1.46 -0.40 0.00 -0.01 0.00 0.00 54.79 55.75 2dlx n ASP 142 Cb 0.37 -0.48 0.01 0.00 -1.03 0.00 0.00 41.12 39.99 2dlx n ASP 142 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2dlx n GLY 143 N -1.49 -2.65 0.07 6.12 0.00 -0.93 -4.92 105.19 101.39 2dlx n GLY 143 Ca 0.17 -0.12 -0.14 0.00 0.00 0.00 0.00 46.02 45.93 2dlx n GLY 143 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2dlx h LEU 144 N 0.19 0.01 -8.74 0.99 -0.00 -1.86 -3.45 115.31 102.45 2dlx h LEU 144 Ca -0.41 -1.00 -0.65 0.00 -0.00 0.00 0.00 57.88 55.83 2dlx h LEU 144 Cb 1.44 -0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 42.09 2dlx h LEU 144 CO 0.45 1.01 1.40 -1.20 -0.00 0.00 0.00 178.44 180.09 2dlx n SER 145 N -4.60 2.57 -4.14 -0.43 7.64 -1.26 -4.73 113.62 108.66 2dlx n SER 145 Ca -0.10 0.42 -0.20 0.00 1.01 0.00 0.00 58.87 60.00 2dlx n SER 145 Cb 0.49 -1.35 -0.13 0.00 -1.01 0.00 0.00 64.21 62.21 2dlx n SER 145 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dlx s SER 146 N 7.20 1.64 0.06 6.43 0.15 -1.26 -4.78 113.70 123.15 2dlx s SER 146 Ca 1.05 -0.47 -0.32 0.00 0.70 0.00 0.00 55.95 56.91 2dlx s SER 146 Cb -0.71 -0.10 -0.17 0.00 -1.71 0.00 0.00 66.02 63.34 2dlx s SER 146 CO 0.46 0.02 1.49 -1.28 1.20 0.00 0.00 173.24 175.13 2dlx h SER 147 N 4.87 -1.13 -4.00 5.45 0.87 -1.92 -3.44 113.55 114.25 2dlx h SER 147 Ca -0.38 0.07 -0.33 0.00 -1.23 0.00 0.00 61.79 59.92 2dlx h SER 147 Cb 1.18 0.34 -0.28 0.00 -0.44 0.00 0.00 62.40 63.20 2dlx h SER 147 CO 0.43 -0.66 -0.75 -0.55 -0.53 0.00 0.00 176.83 174.77 2dlx s SER 148 N -3.93 0.68 0.00 6.23 0.15 -1.26 -5.08 113.70 110.49 2dlx s SER 148 Ca -0.17 -0.14 0.00 0.00 0.70 0.00 0.00 55.95 56.34 2dlx s SER 148 Cb 0.03 -0.06 0.00 0.00 -1.71 0.00 0.00 66.02 64.27 2dlx s SER 148 CO 0.53 0.04 0.00 0.61 1.20 0.00 0.00 173.24 175.62 2dlx n GLY 149 N 2.81 0.43 3.74 9.45 0.00 -1.26 -5.02 105.19 115.34 2dlx n GLY 149 Ca -0.14 -1.21 -0.41 0.00 0.00 0.00 0.00 46.02 44.26 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 -4.01 4.40 -0.20 1.61 0.04 -1.26 -4.83 135.00 130.75 2dlx s PRO 150 Ca 0.00 2.05 -0.18 0.00 0.04 0.00 0.00 61.00 62.91 2dlx s PRO 150 Cb 0.00 -3.18 -0.03 0.00 0.04 0.00 0.00 34.50 31.33 2dlx s PRO 150 CO 0.00 -0.21 0.50 -1.12 0.04 0.00 0.00 177.00 176.21 2dlx s SER 151 N 0.15 6.54 -0.27 6.66 0.01 -1.26 -5.03 113.70 120.49 2dlx s SER 151 Ca 0.55 0.65 -0.29 0.00 1.31 0.00 0.00 55.95 58.16 2dlx s SER 151 Cb -0.36 -2.28 -0.01 0.00 0.21 0.00 0.00 66.02 63.58 2dlx s SER 151 CO 0.40 -0.17 1.38 -0.55 0.41 0.00 0.00 173.24 174.72 2dlx s SER 152 N 1.15 6.61 0.00 2.44 0.15 -1.26 -5.10 113.70 117.69 2dlx s SER 152 Ca 0.23 1.35 0.00 0.00 0.70 0.00 0.00 55.95 58.23 2dlx s SER 152 Cb -0.15 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.62 2dlx s SER 152 CO 0.09 -1.11 0.00 0.61 1.20 0.00 0.00 173.24 174.03