#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 6.49 0.30 1.61 0.15 -1.26 -5.06 113.70 115.92 2dlx s SER 2 Ca 0.00 2.13 0.09 0.00 0.70 0.00 0.00 55.95 58.87 2dlx s SER 2 Cb 0.00 -2.59 -0.06 0.00 -1.71 0.00 0.00 66.02 61.66 2dlx s SER 2 CO 0.00 -0.69 -0.10 -0.44 1.20 0.00 0.00 173.24 173.21 2dlx s SER 3 N -1.52 3.23 0.00 5.45 0.01 -1.26 -5.14 113.70 114.47 2dlx s SER 3 Ca 0.61 -1.15 0.00 0.00 1.31 0.00 0.00 55.95 56.72 2dlx s SER 3 Cb -0.24 -0.25 0.00 0.00 0.21 0.00 0.00 66.02 65.74 2dlx s SER 3 CO 0.30 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.34 2dlx n GLY 4 N -0.65 0.61 2.79 3.44 0.00 -1.26 -5.12 105.19 105.00 2dlx n GLY 4 Ca -0.05 -0.70 -0.30 0.00 0.00 0.00 0.00 46.02 44.97 2dlx n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dlx s SER 5 N 0.47 3.93 0.24 1.61 0.15 -1.26 -5.12 113.70 113.72 2dlx s SER 5 Ca 0.00 -1.52 0.11 0.00 0.70 0.00 0.00 55.95 55.24 2dlx s SER 5 Cb 0.00 -0.94 -0.05 0.00 -1.71 0.00 0.00 66.02 63.32 2dlx s SER 5 CO 0.00 -0.38 -0.20 -0.44 1.20 0.00 0.00 173.24 173.42 2dlx s SER 6 N 1.56 3.30 -0.66 5.45 0.01 -1.26 -5.05 113.70 117.05 2dlx s SER 6 Ca 0.07 -0.97 -0.26 0.00 1.31 0.00 0.00 55.95 56.10 2dlx s SER 6 Cb -0.18 -0.25 -0.12 0.00 0.21 0.00 0.00 66.02 65.68 2dlx s SER 6 CO -0.19 0.02 2.45 0.61 0.41 0.00 0.00 173.24 176.54 2dlx n GLY 7 N -0.27 -0.03 3.71 3.44 0.00 -1.26 -4.91 105.19 105.86 2dlx n GLY 7 Ca -0.08 0.62 -0.33 0.00 0.00 0.00 0.00 46.02 46.23 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 11.65 4.32 0.27 -0.61 1.10 -1.26 -5.11 121.20 131.56 2dlx s ILE 8 Ca 1.05 -0.51 -0.17 0.00 -0.51 0.00 0.00 60.65 60.50 2dlx s ILE 8 Cb -0.37 -2.93 0.01 0.00 0.15 0.00 0.00 42.46 39.32 2dlx s ILE 8 CO 0.27 0.39 0.61 -0.62 -2.11 0.00 0.00 174.94 173.49 2dlx s ASP 9 N -1.54 -0.16 -0.11 4.50 2.15 -1.26 -5.16 116.67 115.10 2dlx s ASP 9 Ca 0.20 -0.78 -0.02 0.00 0.43 0.00 0.00 52.55 52.38 2dlx s ASP 9 Cb -0.12 0.67 0.04 0.00 -0.30 0.00 0.00 42.92 43.21 2dlx s ASP 9 CO 0.10 -1.27 0.00 -0.54 -0.17 0.00 0.00 175.17 173.30 2dlx s LYS 10 N -3.89 0.71 0.32 4.34 -0.14 -1.26 -5.14 119.74 114.68 2dlx s LYS 10 Ca 0.16 -0.06 0.03 0.00 -1.36 0.00 0.00 55.97 54.75 2dlx s LYS 10 Cb -0.04 -1.32 -0.06 0.00 -1.68 0.00 0.00 37.83 34.74 2dlx s LYS 10 CO 0.08 -0.38 0.06 -1.59 -0.76 0.00 0.00 175.35 172.76 2dlx s LYS 11 N 1.92 1.63 0.51 1.68 -2.85 -1.26 -5.17 119.74 116.20 2dlx s LYS 11 Ca 0.04 -1.90 0.08 0.00 -1.00 0.00 0.00 55.97 53.18 2dlx s LYS 11 Cb -0.13 -0.79 0.04 0.00 -2.06 0.00 0.00 37.83 34.88 2dlx s LYS 11 CO -0.06 -0.20 0.54 -0.48 0.10 0.00 0.00 175.35 175.25 2dlx s LEU 12 N -3.47 3.10 -0.05 2.77 -0.00 -1.26 -5.15 118.68 114.62 2dlx s LEU 12 Ca 0.37 -0.91 -0.30 0.00 -0.00 0.00 0.00 54.13 53.29 2dlx s LEU 12 Cb 0.09 -1.69 0.09 0.00 -0.00 0.00 0.00 46.19 44.67 2dlx s LEU 12 CO 0.15 -1.04 0.78 0.28 -0.00 0.00 0.00 176.35 176.52 2dlx s THR 13 N -2.62 0.00 0.51 5.48 -1.32 -1.26 -5.15 115.64 111.28 2dlx s THR 13 Ca 0.49 0.00 -0.23 0.00 -1.21 0.00 0.00 61.69 60.74 2dlx s THR 13 Cb -0.04 -1.00 -0.06 0.00 -1.51 0.00 0.00 72.50 69.88 2dlx s THR 13 CO 0.30 0.00 1.33 0.41 -2.21 0.00 0.00 174.62 174.45 2dlx n THR 14 N 0.59 3.44 -3.84 5.08 -1.04 -1.26 -5.01 114.28 112.24 2dlx n THR 14 Ca -0.15 -0.50 -0.08 0.00 -2.04 0.00 0.00 64.05 61.28 2dlx n THR 14 Cb 0.59 -1.65 0.00 0.00 -1.82 0.00 0.00 70.33 67.45 2dlx n THR 14 CO 0.00 0.00 0.00 -1.48 -0.64 0.00 0.00 175.07 172.95 2dlx s LEU 15 N -2.93 -0.09 0.08 -4.42 0.05 -1.26 -5.13 118.68 105.00 2dlx s LEU 15 Ca 0.68 -0.91 -0.31 0.00 0.05 0.00 0.00 54.13 53.65 2dlx s LEU 15 Cb -0.44 2.74 -0.09 0.00 -2.05 0.00 0.00 46.19 46.36 2dlx s LEU 15 CO 0.52 -1.52 1.74 0.00 -0.55 0.00 0.00 176.35 176.54 2dlx s ALA 16 N -3.09 3.71 -0.44 1.48 0.00 -1.26 -4.85 121.76 117.31 2dlx s ALA 16 Ca 0.14 1.30 -0.32 0.00 0.00 0.00 0.00 51.96 53.08 2dlx s ALA 16 Cb -0.05 -3.73 -0.11 0.00 0.00 0.00 0.00 23.12 19.22 2dlx s ALA 16 CO 0.10 -1.19 2.30 -0.25 0.00 0.00 0.00 175.76 176.71 2dlx n ASP 17 N 5.79 2.06 -4.62 0.00 8.00 -1.26 -4.88 116.55 121.65 2dlx n ASP 17 Ca 0.17 0.19 -0.38 0.00 0.71 0.00 0.00 54.79 55.48 2dlx n ASP 17 Cb 0.40 -1.31 0.05 0.00 -0.02 0.00 0.00 41.12 40.23 2dlx n ASP 17 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2dlx n LEU 18 N 11.25 3.66 -0.11 0.64 4.32 -1.26 -4.96 117.00 130.54 2dlx n LEU 18 Ca 0.42 0.83 -0.22 0.00 -0.02 0.00 0.00 56.01 57.02 2dlx n LEU 18 Cb 0.29 -1.39 -0.12 0.00 -1.62 0.00 0.00 43.42 40.58 2dlx n LEU 18 CO 0.76 -1.78 -1.20 2.22 -1.22 0.00 0.00 177.39 176.18 2dlx n PHE 19 N -1.59 0.34 -4.47 -1.77 -1.74 -1.26 -4.96 117.46 102.00 2dlx n PHE 19 Ca 0.13 0.09 -0.22 0.00 -0.56 0.00 0.00 57.45 56.90 2dlx n PHE 19 Cb 0.46 -1.04 -0.16 0.00 1.52 0.00 0.00 39.48 40.27 2dlx n PHE 19 CO 0.00 0.00 0.00 1.03 -0.56 0.00 0.00 176.76 177.23 2dlx s ARG 20 N -2.51 1.20 0.40 3.97 0.52 -1.26 -5.14 118.95 116.13 2dlx s ARG 20 Ca -0.33 -0.35 -0.25 0.00 -0.52 0.00 0.00 55.73 54.27 2dlx s ARG 20 Cb 0.10 -1.08 -0.08 0.00 0.52 0.00 0.00 34.95 34.41 2dlx s ARG 20 CO 0.60 0.10 1.19 -1.25 0.02 0.00 0.00 175.30 175.96 2dlx s PRO 21 N 0.31 4.05 0.00 3.54 0.04 -1.26 -4.90 135.00 136.79 2dlx s PRO 21 Ca -0.06 1.89 0.06 0.00 0.04 0.00 0.00 61.00 62.94 2dlx s PRO 21 Cb -0.11 -2.70 0.37 0.00 0.04 0.00 0.00 34.50 32.10 2dlx s PRO 21 CO 0.01 -0.34 0.83 -0.35 0.04 0.00 0.00 177.00 177.20 2dlx n PRO 22 N 0.11 0.49 0.00 0.56 -0.04 -1.26 -3.25 135.00 131.61 2dlx n PRO 22 Ca 0.04 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.55 2dlx n PRO 22 Cb 0.46 -1.20 0.28 0.00 -0.04 0.00 0.00 33.50 33.00 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 -0.70 0.00 -0.28 0.52 -6.64 -1.26 -3.58 119.36 107.42 2dlx n ILE 23 Ca 0.05 0.00 -0.03 0.00 -1.77 0.00 0.00 62.75 61.00 2dlx n ILE 23 Cb 0.02 -0.36 0.09 0.00 -1.44 0.00 0.00 39.64 37.95 2dlx n ILE 23 CO 0.00 0.00 0.00 0.44 -1.77 0.00 0.00 176.55 175.22 2dlx h ASP 24 N 0.00 0.81 0.17 7.28 5.19 -1.96 -2.86 116.42 125.04 2dlx h ASP 24 Ca 0.00 -0.00 -0.30 0.00 -0.62 0.00 0.00 57.03 56.11 2dlx h ASP 24 Cb 0.00 -0.18 0.03 0.00 0.18 0.00 0.00 39.33 39.36 2dlx h ASP 24 CO 0.00 0.56 -1.27 0.25 -3.12 0.00 0.00 179.24 175.66 2dlx h LEU 25 N 0.96 0.83 -9.08 1.55 5.85 -1.91 -3.44 115.31 110.07 2dlx h LEU 25 Ca 0.30 -0.86 -0.57 0.00 0.84 0.00 0.00 57.88 57.59 2dlx h LEU 25 Cb 0.00 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.73 2dlx h LEU 25 CO -0.11 1.62 0.97 -0.04 -0.34 0.00 0.00 178.44 180.54 2dlx s MET 26 N -2.82 4.07 0.09 1.25 -1.94 -1.08 -4.62 119.30 114.26 2dlx s MET 26 Ca -0.10 1.58 -0.21 0.00 -1.71 0.00 0.00 55.69 55.25 2dlx s MET 26 Cb 0.05 -3.86 -0.07 0.00 2.01 0.00 0.00 34.83 32.96 2dlx s MET 26 CO 0.93 -0.93 0.63 -1.58 -0.01 0.00 0.00 175.02 174.06 2dlx s HIS 27 N 4.06 3.83 0.05 -0.03 2.46 -1.24 -4.85 115.29 119.57 2dlx s HIS 27 Ca 0.59 1.37 0.08 0.00 0.47 0.00 0.00 55.06 57.58 2dlx s HIS 27 Cb -0.22 -2.58 -0.03 0.00 -0.13 0.00 0.00 32.58 29.62 2dlx s HIS 27 CO 0.21 0.55 -0.24 -1.59 -2.47 0.00 0.00 174.74 171.20 2dlx s LYS 28 N -1.06 1.59 0.00 2.88 -2.85 -1.26 -4.88 119.74 114.16 2dlx s LYS 28 Ca 0.31 -1.05 0.00 0.00 -1.00 0.00 0.00 55.97 54.23 2dlx s LYS 28 Cb -0.20 -1.76 0.00 0.00 -2.06 0.00 0.00 37.83 33.81 2dlx s LYS 28 CO 0.21 0.45 0.00 0.41 0.10 0.00 0.00 175.35 176.52 2dlx n GLY 29 N 1.76 -0.99 3.30 0.59 0.00 -1.26 -5.12 105.19 103.47 2dlx n GLY 29 Ca -0.17 0.37 -0.14 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.35 0.24 1.61 0.01 -1.26 -5.05 113.70 104.90 2dlx s SER 30 Ca 0.00 0.51 -0.09 0.00 1.31 0.00 0.00 55.95 57.68 2dlx s SER 30 Cb 0.00 0.60 0.38 0.00 0.21 0.00 0.00 66.02 67.21 2dlx s SER 30 CO 0.00 -0.31 1.62 2.19 0.41 0.00 0.00 173.24 177.15 2dlx h PHE 31 N 4.59 -0.20 -0.62 2.43 -0.00 -2.00 0.14 116.94 121.28 2dlx h PHE 31 Ca -0.28 0.06 0.12 0.00 -0.00 0.00 0.00 57.97 57.87 2dlx h PHE 31 Cb 1.18 0.21 -0.09 0.00 -0.00 0.00 0.00 35.95 37.24 2dlx h PHE 31 CO 0.45 -0.28 0.11 1.49 -0.00 0.00 0.00 178.31 180.08 2dlx h GLU 32 N 0.05 0.23 -0.56 6.09 4.81 -2.01 -2.41 114.58 120.78 2dlx h GLU 32 Ca 0.39 -0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.67 2dlx h GLU 32 Cb 0.66 -0.05 -0.09 0.00 0.63 0.00 0.00 28.75 29.90 2dlx h GLU 32 CO -0.71 0.15 -0.57 1.15 -0.73 0.00 0.00 179.01 178.30 2dlx h THR 33 N 0.23 0.00 -0.73 0.32 2.02 -1.12 0.17 112.91 113.80 2dlx h THR 33 Ca 0.33 0.00 0.28 0.00 0.77 0.00 0.00 66.41 67.80 2dlx h THR 33 Cb 0.52 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 66.79 2dlx h THR 33 CO -0.44 0.00 0.31 0.00 0.37 0.00 0.00 175.52 175.76 2dlx n ALA 34 N -3.12 0.67 0.06 6.16 0.00 -0.91 0.24 120.51 123.60 2dlx n ALA 34 Ca -0.02 0.75 -0.21 0.00 0.00 0.00 0.00 53.44 53.96 2dlx n ALA 34 Cb 0.32 -0.71 -0.12 0.00 0.00 0.00 0.00 19.45 18.94 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 0.58 0.56 0.00 1.57 -0.79 -3.19 116.57 115.30 2dlx h LYS 35 Ca 0.58 -0.71 -0.03 0.00 -1.87 0.00 0.00 60.65 58.62 2dlx h LYS 35 Cb 1.49 0.22 0.01 0.00 0.08 0.00 0.00 32.23 34.03 2dlx h LYS 35 CO -0.59 1.30 -0.27 0.93 -0.57 0.00 0.00 179.45 180.25 2dlx h GLU 36 N 0.18 -0.73 -0.97 3.15 4.39 0.40 -3.23 114.58 117.77 2dlx h GLU 36 Ca -0.15 0.05 0.29 0.00 0.34 0.00 0.00 59.36 59.89 2dlx h GLU 36 Cb 1.71 0.17 -0.17 0.00 -0.10 0.00 0.00 28.75 30.36 2dlx h GLU 36 CO 0.20 -0.47 0.15 0.00 -1.16 0.00 0.00 179.01 177.73 2dlx h GLY 38 N 0.05 1.62 0.10 0.00 0.00 -1.56 0.26 103.07 103.53 2dlx h GLY 38 Ca 0.63 -0.28 -0.00 0.00 0.00 0.00 0.00 47.33 47.68 2dlx h GLY 38 CO -0.85 -0.18 -0.05 1.46 0.00 0.00 0.00 176.54 176.93 2dlx h GLN 39 N 0.53 -0.13 -0.65 4.80 4.20 0.41 1.21 115.11 125.49 2dlx h GLN 39 Ca 0.62 0.01 0.13 0.00 0.06 0.00 0.00 58.65 59.47 2dlx h GLN 39 Cb 1.29 0.03 -0.12 0.00 0.30 0.00 0.00 27.48 28.98 2dlx h GLN 39 CO -0.39 -0.09 -0.11 0.52 -0.67 0.00 0.00 178.83 178.09 2dlx h MET 40 N -0.21 0.03 0.00 1.46 2.86 -1.39 0.32 114.93 118.00 2dlx h MET 40 Ca -0.01 -0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.57 2dlx h MET 40 Cb 0.10 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 2dlx h MET 40 CO 0.02 0.02 -0.28 1.96 1.06 0.00 0.00 176.91 179.69 2dlx h GLN 41 N 0.03 0.00 -4.58 1.72 1.08 -0.59 -3.48 115.11 109.29 2dlx h GLN 41 Ca 0.32 0.00 -0.25 0.00 -1.45 0.00 0.00 58.65 57.27 2dlx h GLN 41 Cb 0.51 0.00 0.12 0.00 -0.05 0.00 0.00 27.48 28.06 2dlx h GLN 41 CO -0.63 0.28 -0.54 0.09 -0.95 0.00 0.00 178.83 177.08 2dlx n ASN 42 N -3.27 -2.76 -4.20 1.46 3.02 0.38 -5.03 115.26 104.86 2dlx n ASN 42 Ca 0.01 -0.43 -0.19 0.00 -0.03 0.00 0.00 54.58 53.95 2dlx n ASN 42 Cb 0.55 -3.81 -0.12 0.00 -0.61 0.00 0.00 39.78 35.80 2dlx n ASN 42 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2dlx s LYS 43 N -5.20 0.90 1.20 3.52 1.02 0.75 -4.47 119.74 117.46 2dlx s LYS 43 Ca 0.10 -1.05 -0.15 0.00 0.02 0.00 0.00 55.97 54.88 2dlx s LYS 43 Cb -0.04 -0.89 0.29 0.00 -0.52 0.00 0.00 37.83 36.66 2dlx s LYS 43 CO 0.52 0.19 1.02 -1.58 -0.92 0.00 0.00 175.35 174.59 2dlx s TRP 44 N -1.52 1.02 -0.15 3.18 0.52 0.11 -4.45 118.94 117.66 2dlx s TRP 44 Ca 0.02 0.94 -0.01 0.00 0.02 0.00 0.00 56.10 57.06 2dlx s TRP 44 Cb -0.08 -3.12 0.04 0.00 -1.15 0.00 0.00 33.47 29.16 2dlx s TRP 44 CO 0.03 -3.96 -0.02 -1.17 0.02 0.00 0.00 176.95 171.85 2dlx s LEU 45 N -7.20 1.28 -0.37 2.99 2.96 -1.13 -0.15 118.68 117.06 2dlx s LEU 45 Ca 0.68 -0.57 -0.13 0.00 -0.22 0.00 0.00 54.13 53.90 2dlx s LEU 45 Cb -0.20 -0.73 0.01 0.00 0.50 0.00 0.00 46.19 45.77 2dlx s LEU 45 CO 0.61 -0.21 0.24 -0.32 -1.32 0.00 0.00 176.35 175.35 2dlx s MET 46 N 1.76 3.13 -0.30 1.98 -2.45 -1.25 -1.18 119.30 121.00 2dlx s MET 46 Ca 0.01 -0.89 -0.20 0.00 -1.25 0.00 0.00 55.69 53.36 2dlx s MET 46 Cb -0.15 -3.81 -0.01 0.00 1.25 0.00 0.00 34.83 32.11 2dlx s MET 46 CO -0.07 -0.61 0.64 0.42 1.05 0.00 0.00 175.02 176.45 2dlx s ILE 47 N 1.65 4.93 -0.25 10.11 -1.09 -0.68 -3.93 121.20 131.95 2dlx s ILE 47 Ca 0.05 0.88 0.03 0.00 -2.23 0.00 0.00 60.65 59.37 2dlx s ILE 47 Cb -0.18 -4.00 0.06 0.00 -1.58 0.00 0.00 42.46 36.75 2dlx s ILE 47 CO 0.09 -0.14 -0.11 0.20 -1.23 0.00 0.00 174.94 173.75 2dlx s ASN 48 N 1.63 4.26 0.30 3.58 -0.87 -1.21 -3.42 114.94 119.21 2dlx s ASN 48 Ca 0.25 -1.31 -0.18 0.00 -1.57 0.00 0.00 52.86 50.06 2dlx s ASN 48 Cb -0.15 -1.49 -0.09 0.00 -0.02 0.00 0.00 41.25 39.50 2dlx s ASN 48 CO 0.12 -0.18 0.77 -0.63 -2.57 0.00 0.00 177.10 174.60 2dlx s ILE 49 N 1.16 4.58 -0.06 0.60 -1.09 -1.26 -3.41 121.20 121.72 2dlx s ILE 49 Ca -0.08 1.18 0.04 0.00 -2.23 0.00 0.00 60.65 59.56 2dlx s ILE 49 Cb -0.19 -3.72 0.00 0.00 -1.58 0.00 0.00 42.46 36.96 2dlx s ILE 49 CO -0.06 -0.04 -0.18 -1.10 -1.23 0.00 0.00 174.94 172.33 2dlx s GLN 50 N -2.59 2.12 -0.16 2.79 -1.52 -1.16 -4.83 119.66 114.31 2dlx s GLN 50 Ca 0.51 -0.66 -0.06 0.00 -1.95 0.00 0.00 55.36 53.21 2dlx s GLN 50 Cb -0.13 -1.75 -0.04 0.00 -0.22 0.00 0.00 33.01 30.88 2dlx s GLN 50 CO 0.19 0.20 0.03 -0.80 -0.25 0.00 0.00 175.29 174.66 2dlx s ASN 51 N 0.22 5.42 0.13 5.90 -0.87 -1.26 -2.69 114.94 121.79 2dlx s ASN 51 Ca -0.09 0.07 -0.02 0.00 -1.57 0.00 0.00 52.86 51.24 2dlx s ASN 51 Cb -0.14 -1.85 -0.10 0.00 -0.02 0.00 0.00 41.25 39.14 2dlx s ASN 51 CO 0.04 0.22 1.30 1.62 -2.57 0.00 0.00 177.10 177.71 2dlx h VAL 52 N 4.77 1.46 0.00 1.60 3.04 -2.00 -3.36 116.25 121.75 2dlx h VAL 52 Ca -0.39 -2.63 -0.11 0.00 -1.01 0.00 0.00 66.70 62.56 2dlx h VAL 52 Cb 1.18 2.54 -0.02 0.00 -2.01 0.00 0.00 31.29 32.98 2dlx h VAL 52 CO 0.66 0.78 -0.69 1.56 -1.01 0.00 0.00 177.57 178.86 2dlx h GLN 53 N 0.16 0.00 -6.44 4.17 1.08 -2.07 -3.46 115.11 108.55 2dlx h GLN 53 Ca -0.08 0.00 -0.54 0.00 -1.45 0.00 0.00 58.65 56.59 2dlx h GLN 53 Cb 1.63 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 29.07 2dlx h GLN 53 CO 0.16 0.74 0.84 -0.51 -0.95 0.00 0.00 178.83 179.11 2dlx s ASP 54 N -6.38 6.79 -0.05 1.46 1.11 -1.26 -4.93 116.67 113.41 2dlx s ASP 54 Ca -0.21 2.26 -0.19 0.00 0.18 0.00 0.00 52.55 54.58 2dlx s ASP 54 Cb 0.02 -2.57 -0.31 0.00 1.07 0.00 0.00 42.92 41.14 2dlx s ASP 54 CO 0.50 -0.74 0.82 -0.26 1.18 0.00 0.00 175.17 176.67 2dlx h PHE 55 N 7.64 0.58 -0.74 4.23 -1.00 -1.89 -3.33 116.94 122.43 2dlx h PHE 55 Ca -0.40 -0.42 0.30 0.00 2.81 0.00 0.00 57.97 60.26 2dlx h PHE 55 Cb 1.19 -0.02 -0.12 0.00 3.61 0.00 0.00 35.95 40.61 2dlx h PHE 55 CO 0.73 1.41 0.41 0.00 -1.61 0.00 0.00 178.31 179.26 2dlx n ALA 56 N -2.76 0.76 0.20 2.45 0.00 -1.26 0.13 120.51 120.03 2dlx n ALA 56 Ca -0.17 0.71 -0.15 0.00 0.00 0.00 0.00 53.44 53.83 2dlx n ALA 56 Cb 0.88 -0.72 -0.07 0.00 0.00 0.00 0.00 19.45 19.54 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 -0.55 0.23 -0.83 0.00 3.07 0.89 -2.69 115.11 115.22 2dlx h GLN 58 Ca -0.03 -0.07 0.19 0.00 0.09 0.00 0.00 58.65 58.84 2dlx h GLN 58 Cb 0.48 -0.02 -0.05 0.00 0.08 0.00 0.00 27.48 27.96 2dlx h GLN 58 CO 0.00 0.47 0.56 0.00 0.09 0.00 0.00 178.83 179.95 2dlx h LEU 60 N 0.31 -0.75 -0.97 0.00 3.38 -1.32 -2.85 115.31 113.12 2dlx h LEU 60 Ca 0.42 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.41 2dlx h LEU 60 Cb 1.16 0.19 0.00 0.00 0.09 0.00 0.00 40.66 42.10 2dlx h LEU 60 CO -0.12 -0.36 0.46 0.78 0.09 0.00 0.00 178.44 179.29 2dlx h ASN 61 N -1.23 0.00 0.32 -0.43 4.21 -1.52 0.45 115.58 117.38 2dlx h ASN 61 Ca -0.09 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.41 2dlx h ASN 61 Cb 0.68 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.87 2dlx h ASN 61 CO 0.15 0.00 -0.31 -0.09 -1.29 0.00 0.00 177.43 175.89 2dlx h ARG 62 N 0.00 -0.61 0.00 0.81 2.43 -1.22 -3.15 114.38 112.64 2dlx h ARG 62 Ca 0.00 0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.18 2dlx h ARG 62 Cb 0.93 0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.61 2dlx h ARG 62 CO 0.00 -0.41 -1.13 -0.25 -1.51 0.00 0.00 179.97 176.67 2dlx n ASP 63 N -4.27 4.50 0.00 -3.80 8.00 -0.81 -4.37 116.55 115.80 2dlx n ASP 63 Ca -0.08 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.42 2dlx n ASP 63 Cb 0.29 0.66 0.00 0.00 -0.02 0.00 0.00 41.12 42.05 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 -1.97 0.00 0.83 2.53 0.31 0.15 -2.34 118.33 117.83 2dlx n VAL 64 Ca -0.03 1.33 0.01 0.00 -0.01 0.00 0.00 64.34 65.65 2dlx n VAL 64 Cb 0.46 -2.31 0.07 0.00 -0.91 0.00 0.00 33.84 31.15 2dlx n VAL 64 CO 0.00 0.00 0.00 0.79 -1.32 0.00 0.00 176.83 176.30 2dlx n TRP 65 N -1.76 0.35 -0.10 3.52 5.03 -1.17 -3.49 117.44 119.84 2dlx n TRP 65 Ca 0.00 -0.13 -0.12 0.00 3.03 0.00 0.00 57.50 60.29 2dlx n TRP 65 Cb 0.00 -0.14 -0.12 0.00 -1.03 0.00 0.00 31.31 30.02 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 0.08 1.52 -4.55 -0.99 2.88 -1.19 -4.80 113.62 106.57 2dlx n SER 66 Ca 0.05 -0.06 -0.46 0.00 -1.33 0.00 0.00 58.87 57.08 2dlx n SER 66 Cb 0.37 0.32 -0.04 0.00 -0.75 0.00 0.00 64.21 64.10 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 -2.87 2.89 -0.32 -3.46 2.85 -0.99 -4.81 115.26 108.55 2dlx n ASN 67 Ca -0.33 0.29 0.24 0.00 -0.11 0.00 0.00 54.58 54.66 2dlx n ASN 67 Cb 0.99 -1.46 0.46 0.00 1.24 0.00 0.00 39.78 41.01 2dlx n ASN 67 CO 0.00 0.00 0.00 -0.08 -2.11 0.00 0.00 177.26 175.07 2dlx h GLU 68 N 14.06 0.17 -0.43 1.20 4.81 -1.92 0.37 114.58 132.84 2dlx h GLU 68 Ca -0.37 -0.01 0.08 0.00 -0.13 0.00 0.00 59.36 58.94 2dlx h GLU 68 Cb 1.27 -0.04 -0.07 0.00 0.63 0.00 0.00 28.75 30.54 2dlx h GLU 68 CO 0.98 0.11 -0.03 0.00 -0.73 0.00 0.00 179.01 179.34 2dlx h ALA 69 N 1.90 0.36 -0.14 2.92 0.00 -1.98 -1.12 119.26 121.20 2dlx h ALA 69 Ca 0.73 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.76 2dlx h ALA 69 Cb 1.71 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 19.75 2dlx h ALA 69 CO -0.70 -0.41 0.03 0.28 0.00 0.00 0.00 179.25 178.45 2dlx h VAL 70 N 0.07 1.20 -0.79 0.00 2.07 -0.61 -3.00 116.25 115.20 2dlx h VAL 70 Ca 0.21 -0.64 0.17 0.00 0.82 0.00 0.00 66.70 67.26 2dlx h VAL 70 Cb 0.31 1.36 -0.11 0.00 -1.52 0.00 0.00 31.29 31.34 2dlx h VAL 70 CO -0.38 0.19 0.29 0.11 0.02 0.00 0.00 177.57 177.80 2dlx h LYS 71 N 0.03 0.38 0.00 1.57 1.57 -0.83 0.72 116.57 120.00 2dlx h LYS 71 Ca 0.04 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2dlx h LYS 71 Cb 0.26 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.49 2dlx h LYS 71 CO 0.00 0.25 -0.01 -0.91 -0.57 0.00 0.00 179.45 178.21 2dlx h ASN 72 N 0.39 0.00 0.09 0.86 2.35 -1.08 0.16 115.58 118.35 2dlx h ASN 72 Ca 0.45 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.99 2dlx h ASN 72 Cb 0.76 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.12 2dlx h ASN 72 CO -0.46 0.01 -1.04 0.40 -1.65 0.00 0.00 177.43 174.69 2dlx h ILE 73 N 0.00 1.25 0.00 2.81 1.08 0.47 -2.60 117.51 120.51 2dlx h ILE 73 Ca -0.00 -2.40 0.00 0.00 -0.39 0.00 0.00 64.86 62.07 2dlx h ILE 73 Cb 0.11 2.87 0.00 0.00 -3.07 0.00 0.00 36.82 36.73 2dlx h ILE 73 CO 0.00 0.64 0.00 -0.38 -0.69 0.00 0.00 178.15 177.72 2dlx n ILE 74 N -4.14 0.67 -0.04 -0.67 5.41 -0.58 -0.96 119.36 119.05 2dlx n ILE 74 Ca -0.21 -0.12 -0.08 0.00 1.00 0.00 0.00 62.75 63.34 2dlx n ILE 74 Cb 0.79 -0.78 -0.14 0.00 -0.71 0.00 0.00 39.64 38.80 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 -2.26 0.65 -0.02 0.38 1.85 0.53 -1.54 116.66 116.24 2dlx n ARG 75 Ca 0.04 0.21 -0.01 0.00 -1.00 0.00 0.00 57.85 57.09 2dlx n ARG 75 Cb 0.36 -1.72 -0.00 0.00 -1.05 0.00 0.00 32.46 30.05 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 -2.95 0.09 0.38 2.89 2.13 -0.98 -4.74 120.64 117.46 2dlx n GLU 76 Ca -0.21 0.09 -0.18 0.00 0.66 0.00 0.00 57.16 57.52 2dlx n GLU 76 Cb 1.07 -0.71 -0.09 0.00 0.27 0.00 0.00 31.44 31.98 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 -0.18 -1.01 -0.77 4.31 3.86 -1.24 -3.45 115.15 116.67 2dlx h HIS 77 Ca 0.00 -0.02 -0.50 0.00 -1.16 0.00 0.00 60.37 58.69 2dlx h HIS 77 Cb 0.16 0.35 0.01 0.00 1.06 0.00 0.00 27.41 28.99 2dlx h HIS 77 CO -0.07 -0.60 -0.14 -0.06 0.86 0.00 0.00 177.93 177.92 2dlx s PHE 78 N -6.02 1.50 -0.38 2.45 0.40 -0.87 0.07 117.98 115.12 2dlx s PHE 78 Ca -0.18 -0.74 -0.06 0.00 -0.60 0.00 0.00 56.93 55.36 2dlx s PHE 78 Cb 0.04 -2.16 0.08 0.00 0.51 0.00 0.00 43.02 41.49 2dlx s PHE 78 CO 0.62 -1.00 0.18 0.42 0.70 0.00 0.00 175.22 176.13 2dlx s ILE 79 N -2.68 3.67 -0.28 0.64 -1.09 0.79 -3.62 121.20 118.63 2dlx s ILE 79 Ca 0.56 -1.56 -0.34 0.00 -2.23 0.00 0.00 60.65 57.08 2dlx s ILE 79 Cb -0.05 -3.28 -0.11 0.00 -1.58 0.00 0.00 42.46 37.44 2dlx s ILE 79 CO 0.35 -0.45 2.12 0.33 -1.23 0.00 0.00 174.94 176.06 2dlx n PHE 80 N 4.75 1.80 -3.53 3.97 7.35 -0.59 -3.80 117.46 127.41 2dlx n PHE 80 Ca -0.09 0.19 -0.23 0.00 -0.76 0.00 0.00 57.45 56.56 2dlx n PHE 80 Cb 0.43 -2.58 -0.14 0.00 0.35 0.00 0.00 39.48 37.54 2dlx n PHE 80 CO 0.00 0.00 0.00 -0.46 -0.76 0.00 0.00 176.76 175.54 2dlx s TRP 81 N 6.73 -0.01 -0.02 -5.13 -0.00 -1.25 -3.67 118.94 115.59 2dlx s TRP 81 Ca 1.05 -0.27 0.03 0.00 -0.00 0.00 0.00 56.10 56.91 2dlx s TRP 81 Cb -0.77 -0.61 -0.03 0.00 -0.00 0.00 0.00 33.47 32.06 2dlx s TRP 81 CO 0.48 -0.67 -0.08 -1.14 -0.00 0.00 0.00 176.95 175.54 2dlx s GLN 82 N 2.22 2.58 -0.24 5.86 0.74 -1.26 -3.29 119.66 126.26 2dlx s GLN 82 Ca 0.06 -0.68 -0.17 0.00 0.05 0.00 0.00 55.36 54.63 2dlx s GLN 82 Cb -0.16 -2.50 0.07 0.00 1.10 0.00 0.00 33.01 31.52 2dlx s GLN 82 CO -0.20 0.62 0.61 0.14 -0.55 0.00 0.00 175.29 175.91 2dlx s VAL 83 N -0.91 -0.01 -0.02 1.34 -7.23 -1.22 -5.06 120.40 107.30 2dlx s VAL 83 Ca 0.15 0.02 -0.30 0.00 -1.81 0.00 0.00 61.98 60.04 2dlx s VAL 83 Cb -0.11 -0.87 -0.04 0.00 0.56 0.00 0.00 36.38 35.92 2dlx s VAL 83 CO 0.05 0.01 1.23 -0.31 -0.31 0.00 0.00 175.10 175.76 2dlx s TYR 84 N 1.09 3.19 0.29 2.82 1.51 -1.26 -3.00 117.35 122.00 2dlx s TYR 84 Ca -0.06 1.17 0.00 0.00 -1.01 0.00 0.00 57.07 57.18 2dlx s TYR 84 Cb -0.05 -3.46 0.69 0.00 -0.11 0.00 0.00 41.96 39.03 2dlx s TYR 84 CO -0.11 -1.48 1.60 1.12 -1.11 0.00 0.00 175.55 175.58 2dlx h HIS 85 N 7.37 0.04 -0.85 2.71 2.07 -1.84 0.36 115.15 125.00 2dlx h HIS 85 Ca -0.36 0.06 0.21 0.00 -2.85 0.00 0.00 60.37 57.43 2dlx h HIS 85 Cb 1.18 0.13 -0.15 0.00 2.57 0.00 0.00 27.41 31.14 2dlx h HIS 85 CO 0.72 -0.35 0.06 0.22 -3.07 0.00 0.00 177.93 175.50 2dlx h ASP 86 N 0.06 -0.32 -3.80 3.10 3.58 -1.91 -2.42 116.42 114.73 2dlx h ASP 86 Ca 0.56 0.22 -0.56 0.00 0.42 0.00 0.00 57.03 57.66 2dlx h ASP 86 Cb 1.12 0.37 0.16 0.00 1.72 0.00 0.00 39.33 42.70 2dlx h ASP 86 CO -0.82 -0.22 0.31 -1.54 -2.88 0.00 0.00 179.24 174.09 2dlx n SER 87 N -5.36 1.44 -0.15 2.28 3.41 0.13 -4.66 113.62 110.71 2dlx n SER 87 Ca 0.18 0.84 -0.10 0.00 -0.26 0.00 0.00 58.87 59.52 2dlx n SER 87 Cb 0.59 -1.47 -0.05 0.00 -0.26 0.00 0.00 64.21 63.02 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 0.63 -0.31 -0.96 4.33 5.08 -1.84 0.13 114.58 121.64 2dlx h GLU 88 Ca -0.49 0.02 0.30 0.00 -1.00 0.00 0.00 59.36 58.19 2dlx h GLU 88 Cb 1.35 0.07 -0.16 0.00 0.50 0.00 0.00 28.75 30.51 2dlx h GLU 88 CO 0.52 -0.20 0.38 0.93 -1.00 0.00 0.00 179.01 179.63 2dlx h GLU 89 N -0.32 0.18 -0.23 2.33 5.08 -1.89 0.24 114.58 119.97 2dlx h GLU 89 Ca 0.13 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.42 2dlx h GLU 89 Cb 0.58 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 2dlx h GLU 89 CO -0.61 0.12 -0.09 0.78 -1.00 0.00 0.00 179.01 178.21 2dlx h GLY 90 N 0.18 0.50 0.59 -3.84 0.00 -0.93 -2.79 103.07 96.78 2dlx h GLY 90 Ca 0.68 -0.44 0.06 0.00 0.00 0.00 0.00 47.33 47.63 2dlx h GLY 90 CO -0.70 0.40 0.15 1.46 0.00 0.00 0.00 176.54 177.85 2dlx h GLN 91 N 0.18 0.31 0.00 4.80 1.08 0.54 -0.42 115.11 121.59 2dlx h GLN 91 Ca 0.05 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.22 2dlx h GLN 91 Cb 0.57 -0.07 -0.00 0.00 -0.05 0.00 0.00 27.48 27.93 2dlx h GLN 91 CO 0.03 0.20 -0.05 0.07 -0.95 0.00 0.00 178.83 178.13 2dlx h ARG 92 N 0.32 0.00 -0.06 1.46 0.11 -1.20 -1.93 114.38 113.08 2dlx h ARG 92 Ca 0.21 0.00 -0.21 0.00 0.10 0.00 0.00 59.98 60.07 2dlx h ARG 92 Cb 0.20 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.29 2dlx h ARG 92 CO -0.21 0.05 -0.84 -0.92 0.10 0.00 0.00 179.97 178.15 2dlx h TYR 93 N 0.00 0.72 -0.01 4.08 5.03 -0.85 -2.77 116.97 123.17 2dlx h TYR 93 Ca -0.00 -0.35 -0.00 0.00 2.58 0.00 0.00 58.73 60.96 2dlx h TYR 93 Cb 0.10 -0.10 -0.00 0.00 1.55 0.00 0.00 36.73 38.28 2dlx h TYR 93 CO 0.00 1.15 0.01 0.82 -1.32 0.00 0.00 178.16 178.82 2dlx h ILE 94 N 0.32 1.05 -0.22 1.81 2.04 -0.42 -2.65 117.51 119.45 2dlx h ILE 94 Ca -0.06 -0.15 -0.04 0.00 1.00 0.00 0.00 64.86 65.60 2dlx h ILE 94 Cb 1.46 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 38.66 2dlx h ILE 94 CO 0.15 0.04 -0.06 0.06 0.00 0.00 0.00 178.15 178.34 2dlx h GLN 95 N -0.05 0.34 0.00 2.37 3.07 -1.56 0.93 115.11 120.22 2dlx h GLN 95 Ca 0.00 -0.07 0.00 0.00 0.09 0.00 0.00 58.65 58.67 2dlx h GLN 95 Cb 0.06 -0.05 0.00 0.00 0.08 0.00 0.00 27.48 27.57 2dlx h GLN 95 CO -0.00 0.42 0.00 0.34 0.09 0.00 0.00 178.83 179.68 2dlx n PHE 96 N -4.30 0.00 -0.78 0.06 -0.00 -1.00 -3.03 117.46 108.42 2dlx n PHE 96 Ca 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 57.45 57.53 2dlx n PHE 96 Cb 0.24 -0.46 0.20 0.00 -0.00 0.00 0.00 39.48 39.46 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 -2.72 0.63 -3.52 -5.13 4.02 -1.23 -4.96 117.16 104.25 2dlx n TYR 97 Ca 0.00 -0.80 -0.22 0.00 -0.01 0.00 0.00 57.90 56.87 2dlx n TYR 97 Cb 0.00 -0.21 0.08 0.00 -0.02 0.00 0.00 39.34 39.18 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 -0.46 -7.45 -0.01 -0.72 4.01 0.30 -4.90 118.16 108.93 2dlx n LYS 98 Ca 0.17 0.80 -0.00 0.00 -0.51 0.00 0.00 58.31 58.77 2dlx n LYS 98 Cb 0.72 -5.74 -0.00 0.00 -0.51 0.00 0.00 35.03 29.49 2dlx n LYS 98 CO 0.00 0.00 0.00 -0.11 -1.11 0.00 0.00 177.40 176.18 2dlx n LEU 99 N -4.69 -0.04 -3.34 -0.35 7.94 0.17 -4.66 117.00 112.04 2dlx n LEU 99 Ca -0.04 0.71 -0.18 0.00 -1.11 0.00 0.00 56.01 55.39 2dlx n LEU 99 Cb 0.58 -0.33 -0.05 0.00 0.53 0.00 0.00 43.42 44.14 2dlx n LEU 99 CO 0.62 -0.37 -0.20 0.61 -1.11 0.00 0.00 177.39 176.94 2dlx n GLY 100 N -1.01 -0.11 3.54 -3.96 0.00 -1.26 -4.84 105.19 97.55 2dlx n GLY 100 Ca 0.00 0.08 -0.14 0.00 0.00 0.00 0.00 46.02 45.95 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 -3.23 -0.66 -0.18 1.61 1.01 -1.26 -5.17 116.67 108.80 2dlx s ASP 101 Ca 0.14 1.21 -0.24 0.00 0.71 0.00 0.00 52.55 54.37 2dlx s ASP 101 Cb -0.08 1.22 0.06 0.00 1.01 0.00 0.00 42.92 45.13 2dlx s ASP 101 CO 0.53 -0.26 0.63 -0.36 0.21 0.00 0.00 175.17 175.92 2dlx s PHE 102 N 0.16 -0.66 0.58 4.23 0.40 -1.26 -4.04 117.98 117.39 2dlx s PHE 102 Ca -0.01 1.47 -0.18 0.00 -0.60 0.00 0.00 56.93 57.61 2dlx s PHE 102 Cb -0.04 0.28 -0.04 0.00 0.51 0.00 0.00 43.02 43.73 2dlx s PHE 102 CO 0.02 -0.42 1.12 -1.25 0.70 0.00 0.00 175.22 175.39 2dlx s PRO 103 N -0.18 3.17 0.02 0.24 0.04 -1.26 -5.01 135.00 132.03 2dlx s PRO 103 Ca -0.04 1.53 0.03 0.00 0.04 0.00 0.00 61.00 62.56 2dlx s PRO 103 Cb -0.03 -1.99 -0.02 0.00 0.04 0.00 0.00 34.50 32.50 2dlx s PRO 103 CO 0.04 -0.98 -0.08 -0.47 0.04 0.00 0.00 177.00 175.54 2dlx s TYR 104 N -1.97 0.73 -0.16 0.56 5.04 -1.26 -4.60 117.35 115.70 2dlx s TYR 104 Ca 0.71 -0.31 -0.06 0.00 -2.44 0.00 0.00 57.07 54.96 2dlx s TYR 104 Cb -0.23 -0.45 0.07 0.00 0.35 0.00 0.00 41.96 41.71 2dlx s TYR 104 CO 0.32 -0.03 0.34 0.08 -1.34 0.00 0.00 175.55 174.92 2dlx s VAL 105 N -0.79 -0.40 0.13 3.14 1.01 -0.72 -4.29 120.40 118.49 2dlx s VAL 105 Ca -0.03 0.20 -0.03 0.00 0.00 0.00 0.00 61.98 62.12 2dlx s VAL 105 Cb -0.07 -0.54 -0.03 0.00 0.00 0.00 0.00 36.38 35.74 2dlx s VAL 105 CO 0.00 0.08 0.11 -0.94 0.00 0.00 0.00 175.10 174.36 2dlx s SER 106 N 2.21 0.24 -0.11 3.32 1.04 -1.22 -0.14 113.70 119.04 2dlx s SER 106 Ca -0.03 -1.10 0.00 0.00 0.48 0.00 0.00 55.95 55.31 2dlx s SER 106 Cb -0.11 0.33 0.02 0.00 0.10 0.00 0.00 66.02 66.36 2dlx s SER 106 CO -0.11 -0.77 -0.09 -0.63 0.98 0.00 0.00 173.24 172.63 2dlx s ILE 107 N -4.02 1.12 0.07 -1.02 1.01 -1.22 -1.69 121.20 115.45 2dlx s ILE 107 Ca 0.21 -0.37 0.02 0.00 0.00 0.00 0.00 60.65 60.52 2dlx s ILE 107 Cb 0.06 -1.10 -0.04 0.00 0.01 0.00 0.00 42.46 41.39 2dlx s ILE 107 CO 0.00 0.38 0.11 -0.22 0.00 0.00 0.00 174.94 175.22 2dlx s LEU 108 N 1.49 3.95 -0.21 2.97 2.96 -0.32 -1.53 118.68 128.00 2dlx s LEU 108 Ca 0.01 0.07 -0.16 0.00 -0.22 0.00 0.00 54.13 53.84 2dlx s LEU 108 Cb -0.13 -2.61 -0.04 0.00 0.50 0.00 0.00 46.19 43.91 2dlx s LEU 108 CO -0.06 0.17 0.39 -0.62 -1.32 0.00 0.00 176.35 174.91 2dlx s ASP 109 N -2.41 6.42 0.11 3.68 -1.08 -1.18 -2.83 116.67 119.37 2dlx s ASP 109 Ca 0.31 0.49 0.18 0.00 -0.52 0.00 0.00 52.55 53.01 2dlx s ASP 109 Cb -0.12 -2.23 0.76 0.00 -1.46 0.00 0.00 42.92 39.87 2dlx s ASP 109 CO 0.23 -0.08 1.56 -0.81 0.52 0.00 0.00 175.17 176.59 2dlx n PRO 110 N 4.51 0.08 -0.07 4.34 -0.04 -1.26 0.83 135.00 143.38 2dlx n PRO 110 Ca -0.09 0.33 -0.07 0.00 -0.04 0.00 0.00 63.50 63.63 2dlx n PRO 110 Cb 0.51 -1.65 -0.03 0.00 -0.04 0.00 0.00 33.50 32.29 2dlx n PRO 110 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2dlx h ARG 111 N 0.00 0.00 0.07 0.54 3.08 -1.91 -3.40 114.38 112.75 2dlx h ARG 111 Ca 0.00 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.71 2dlx h ARG 111 Cb 0.29 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.31 2dlx h ARG 111 CO 0.00 0.19 -1.90 0.25 -1.07 0.00 0.00 179.97 177.44 2dlx n THR 112 N -4.61 1.67 -1.20 2.04 -2.24 -1.23 -5.02 114.28 103.70 2dlx n THR 112 Ca -0.10 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.21 2dlx n THR 112 Cb 0.30 -1.79 0.00 0.00 -2.10 0.00 0.00 70.33 66.75 2dlx n THR 112 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2dlx n GLY 113 N 1.83 1.06 3.42 3.38 0.00 0.24 -5.01 105.19 110.11 2dlx n GLY 113 Ca -0.35 -0.42 -0.26 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.63 1.52 0.10 1.61 -2.07 -1.26 -4.82 119.66 112.11 2dlx s GLN 114 Ca 0.00 -1.55 -0.31 0.00 -1.82 0.00 0.00 55.36 51.68 2dlx s GLN 114 Cb 0.00 -1.80 -0.09 0.00 -1.09 0.00 0.00 33.01 30.03 2dlx s GLN 114 CO 0.00 0.38 1.68 0.21 -1.32 0.00 0.00 175.29 176.24 2dlx s LYS 115 N -2.78 4.18 -0.24 9.60 2.36 -1.26 -3.12 119.74 128.48 2dlx s LYS 115 Ca 0.22 2.41 -0.09 0.00 -2.55 0.00 0.00 55.97 55.95 2dlx s LYS 115 Cb -0.07 -3.50 -0.17 0.00 -1.05 0.00 0.00 37.83 33.04 2dlx s LYS 115 CO 0.10 -0.74 -0.12 1.28 1.55 0.00 0.00 175.35 177.43 2dlx n LEU 116 N 5.27 2.35 -4.10 5.43 4.77 -0.58 -5.01 117.00 125.13 2dlx n LEU 116 Ca 0.16 0.19 -0.12 0.00 -0.03 0.00 0.00 56.01 56.21 2dlx n LEU 116 Cb 0.39 -0.92 -0.07 0.00 -2.33 0.00 0.00 43.42 40.50 2dlx n LEU 116 CO 0.63 0.68 0.03 0.68 -1.33 0.00 0.00 177.39 178.08 2dlx s VAL 117 N -2.50 0.00 -0.21 4.08 -7.23 -1.25 -5.02 120.40 108.28 2dlx s VAL 117 Ca -0.34 -1.67 -0.12 0.00 -1.81 0.00 0.00 61.98 58.05 2dlx s VAL 117 Cb 0.10 -2.41 0.07 0.00 0.56 0.00 0.00 36.38 34.70 2dlx s VAL 117 CO 0.58 0.00 0.52 -1.83 -0.31 0.00 0.00 175.10 174.06 2dlx s GLU 118 N -3.81 0.52 -0.10 4.82 -1.05 -1.26 -3.38 118.70 114.44 2dlx s GLU 118 Ca 0.30 0.95 -0.03 0.00 -0.15 0.00 0.00 54.97 56.05 2dlx s GLU 118 Cb 0.02 0.05 0.04 0.00 -0.44 0.00 0.00 34.13 33.80 2dlx s GLU 118 CO 0.13 -0.15 0.05 -1.58 0.95 0.00 0.00 175.26 174.66 2dlx s TRP 119 N 1.45 0.39 0.08 4.83 0.51 0.80 -5.02 118.94 121.98 2dlx s TRP 119 Ca -0.09 -0.13 -0.10 0.00 -2.12 0.00 0.00 56.10 53.65 2dlx s TRP 119 Cb -0.07 -0.69 -0.24 0.00 -0.81 0.00 0.00 33.47 31.66 2dlx s TRP 119 CO -0.15 -0.35 1.16 0.45 -0.51 0.00 0.00 176.95 177.55 2dlx h HIS 120 N 8.38 0.83 -3.18 -1.98 3.86 -1.82 -1.91 115.15 119.33 2dlx h HIS 120 Ca -0.15 -0.51 -0.61 0.00 -1.16 0.00 0.00 60.37 57.94 2dlx h HIS 120 Cb 1.13 -0.07 -0.35 0.00 1.06 0.00 0.00 27.41 29.18 2dlx h HIS 120 CO 0.38 1.36 -0.84 -1.14 0.86 0.00 0.00 177.93 178.55 2dlx s GLN 121 N -3.02 2.36 0.23 2.45 0.74 -1.26 -4.32 119.66 116.85 2dlx s GLN 121 Ca -0.08 -0.59 0.06 0.00 0.05 0.00 0.00 55.36 54.80 2dlx s GLN 121 Cb 0.07 -2.07 -0.05 0.00 1.10 0.00 0.00 33.01 32.05 2dlx s GLN 121 CO 0.91 -0.15 -0.08 -0.51 -0.55 0.00 0.00 175.29 174.91 2dlx s LEU 122 N 1.24 2.45 0.20 3.68 1.43 -1.26 -5.02 118.68 121.40 2dlx s LEU 122 Ca -0.00 -1.13 -0.03 0.00 -1.03 0.00 0.00 54.13 51.94 2dlx s LEU 122 Cb -0.14 -0.54 -0.03 0.00 0.03 0.00 0.00 46.19 45.51 2dlx s LEU 122 CO -0.07 -0.33 0.19 -0.62 0.23 0.00 0.00 176.35 175.75 2dlx s ASP 123 N -3.35 0.12 0.11 2.29 2.15 -1.26 -4.93 116.67 111.79 2dlx s ASP 123 Ca 0.26 -1.30 -0.31 0.00 0.43 0.00 0.00 52.55 51.64 2dlx s ASP 123 Cb 0.03 0.41 -0.10 0.00 -0.30 0.00 0.00 42.92 42.96 2dlx s ASP 123 CO 0.09 -0.89 1.60 0.58 -0.17 0.00 0.00 175.17 176.38 2dlx h VAL 124 N 2.57 0.20 0.01 1.11 2.07 -1.89 0.38 116.25 120.70 2dlx h VAL 124 Ca -0.34 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.14 2dlx h VAL 124 Cb 1.25 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 2dlx h VAL 124 CO 0.50 0.00 -0.15 -1.28 0.02 0.00 0.00 177.57 176.66 2dlx h SER 125 N -0.65 0.11 -0.59 0.57 0.87 -1.97 -3.18 113.55 108.70 2dlx h SER 125 Ca 0.01 -0.85 0.12 0.00 -1.23 0.00 0.00 61.79 59.84 2dlx h SER 125 Cb 0.66 -0.04 -0.09 0.00 -0.44 0.00 0.00 62.40 62.49 2dlx h SER 125 CO -0.20 0.95 0.05 -1.28 -0.53 0.00 0.00 176.83 175.82 2dlx h SER 126 N -0.71 -0.17 0.44 6.23 0.87 -1.95 -0.25 113.55 118.00 2dlx h SER 126 Ca -0.02 0.13 -0.01 0.00 -1.23 0.00 0.00 61.79 60.66 2dlx h SER 126 Cb 0.98 0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 63.15 2dlx h SER 126 CO 0.03 -0.07 -0.41 0.15 -0.53 0.00 0.00 176.83 176.00 2dlx h PHE 127 N 0.16 -1.13 0.01 2.24 3.57 -0.34 -2.25 116.94 119.20 2dlx h PHE 127 Ca 0.31 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.83 2dlx h PHE 127 Cb 0.49 0.44 -0.03 0.00 2.79 0.00 0.00 35.95 39.63 2dlx h PHE 127 CO -0.31 -0.55 -0.34 -0.07 -2.23 0.00 0.00 178.31 174.80 2dlx h LEU 128 N -0.84 -1.04 -0.78 0.59 3.38 -1.44 0.32 115.31 115.50 2dlx h LEU 128 Ca -0.06 0.12 0.13 0.00 0.09 0.00 0.00 57.88 58.16 2dlx h LEU 128 Cb 0.72 0.39 -0.13 0.00 0.09 0.00 0.00 40.66 41.73 2dlx h LEU 128 CO -0.04 -0.33 -0.29 -0.67 0.09 0.00 0.00 178.44 177.20 2dlx n ASP 129 N -4.36 -0.48 0.17 -0.43 -0.08 -0.14 0.12 116.55 111.35 2dlx n ASP 129 Ca -0.05 1.36 -0.07 0.00 -1.51 0.00 0.00 54.79 54.53 2dlx n ASP 129 Cb 0.25 -0.33 -0.03 0.00 2.34 0.00 0.00 41.12 43.35 2dlx n ASP 129 CO 0.00 0.00 0.00 1.56 0.12 0.00 0.00 177.20 178.88 2dlx h GLN 130 N 0.00 -0.43 -0.15 -0.67 4.20 -0.79 -2.99 115.11 114.28 2dlx h GLN 130 Ca 0.29 0.03 0.02 0.00 0.06 0.00 0.00 58.65 59.05 2dlx h GLN 130 Cb 0.48 0.10 -0.04 0.00 0.30 0.00 0.00 27.48 28.32 2dlx h GLN 130 CO -0.78 -0.29 -0.28 0.28 -0.67 0.00 0.00 178.83 177.09 2dlx h VAL 131 N -0.64 0.00 -0.87 -0.54 2.07 0.75 0.23 116.25 117.25 2dlx h VAL 131 Ca -0.05 0.00 0.27 0.00 0.82 0.00 0.00 66.70 67.74 2dlx h VAL 131 Cb 0.34 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 29.95 2dlx h VAL 131 CO 0.07 0.00 0.12 0.41 0.02 0.00 0.00 177.57 178.19 2dlx n THR 132 N -4.04 -0.36 0.11 2.57 -1.04 0.32 -0.78 114.28 111.05 2dlx n THR 132 Ca -0.02 1.88 -0.10 0.00 -2.04 0.00 0.00 64.05 63.77 2dlx n THR 132 Cb 0.18 -2.81 -0.06 0.00 -1.82 0.00 0.00 70.33 65.82 2dlx n THR 132 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 2dlx h GLY 133 N 0.00 -0.37 -0.95 3.41 0.00 -0.99 -3.16 103.07 101.00 2dlx h GLY 133 Ca 0.57 0.14 0.37 0.00 0.00 0.00 0.00 47.33 48.41 2dlx h GLY 133 CO -0.79 -0.13 0.41 0.33 0.00 0.00 0.00 176.54 176.36 2dlx n PHE 134 N -5.02 1.00 0.31 5.60 -0.00 0.65 0.07 117.46 120.08 2dlx n PHE 134 Ca -0.07 1.13 -0.16 0.00 -0.00 0.00 0.00 57.45 58.34 2dlx n PHE 134 Cb 0.24 -1.46 -0.08 0.00 -0.00 0.00 0.00 39.48 38.18 2dlx n PHE 134 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.76 176.69 2dlx h LEU 135 N 0.00 -0.66 0.24 -2.13 3.38 -1.34 -1.29 115.31 113.50 2dlx h LEU 135 Ca 0.76 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.70 2dlx h LEU 135 Cb 1.93 0.17 0.00 0.00 0.09 0.00 0.00 40.66 42.86 2dlx h LEU 135 CO -0.77 -0.39 -0.11 1.23 0.09 0.00 0.00 178.44 178.49 2dlx h GLY 136 N -0.91 -0.33 0.05 0.83 0.00 -0.33 0.46 103.07 102.83 2dlx h GLY 136 Ca -0.08 0.12 0.01 0.00 0.00 0.00 0.00 47.33 47.39 2dlx h GLY 136 CO 0.13 -0.12 -0.43 -2.09 0.00 0.00 0.00 176.54 174.03 2dlx h GLU 137 N -0.45 -0.55 0.63 4.80 4.57 -0.43 -3.08 114.58 120.07 2dlx h GLU 137 Ca -0.03 0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 58.15 2dlx h GLU 137 Cb 0.34 0.13 0.01 0.00 -0.16 0.00 0.00 28.75 29.06 2dlx h GLU 137 CO 0.05 -0.37 -0.30 0.45 -1.18 0.00 0.00 179.01 177.66 2dlx h HIS 138 N -0.57 -0.79 0.00 0.92 3.86 -1.28 -3.50 115.15 113.79 2dlx h HIS 138 Ca 0.00 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 2dlx h HIS 138 Cb 0.59 0.26 0.00 0.00 1.06 0.00 0.00 27.41 29.32 2dlx h HIS 138 CO -0.45 -0.46 0.00 0.41 0.86 0.00 0.00 177.93 178.29 2dlx n GLY 139 N -1.17 3.34 3.77 2.45 0.00 0.16 -5.08 105.19 108.65 2dlx n GLY 139 Ca -0.13 -1.69 -0.32 0.00 0.00 0.00 0.00 46.02 43.88 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 -4.29 2.56 0.90 1.61 -0.44 -1.26 -4.93 119.66 113.82 2dlx s GLN 140 Ca 0.00 1.35 -0.11 0.00 -2.50 0.00 0.00 55.36 54.10 2dlx s GLN 140 Cb 0.00 -1.92 0.13 0.00 -1.64 0.00 0.00 33.01 29.57 2dlx s GLN 140 CO 0.00 -1.43 1.11 1.28 0.50 0.00 0.00 175.29 176.75 2dlx n LEU 141 N -2.80 3.31 -4.69 3.68 4.32 -1.26 -4.88 117.00 114.67 2dlx n LEU 141 Ca 0.10 0.45 -0.42 0.00 -0.02 0.00 0.00 56.01 56.12 2dlx n LEU 141 Cb 0.52 -1.47 -0.03 0.00 -1.62 0.00 0.00 43.42 40.83 2dlx n LEU 141 CO 0.49 -2.17 1.38 -1.81 -1.22 0.00 0.00 177.39 174.06 2dlx s ASP 142 N -2.47 6.52 0.00 -1.43 1.01 -1.26 -4.86 116.67 114.17 2dlx s ASP 142 Ca 0.68 2.63 0.00 0.00 0.71 0.00 0.00 52.55 56.56 2dlx s ASP 142 Cb -0.24 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.12 2dlx s ASP 142 CO 0.57 -0.93 0.00 0.61 0.21 0.00 0.00 175.17 175.63 2dlx n GLY 143 N 4.06 4.78 3.49 0.21 0.00 -1.26 -4.97 105.19 111.49 2dlx n GLY 143 Ca 0.16 -0.85 -0.46 0.00 0.00 0.00 0.00 46.02 44.87 2dlx n GLY 143 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2dlx n LEU 144 N 0.00 2.15 -4.65 0.99 7.99 -1.26 -4.93 117.00 117.28 2dlx n LEU 144 Ca 0.00 0.19 -0.24 0.00 -0.01 0.00 0.00 56.01 55.96 2dlx n LEU 144 Cb 0.00 -1.33 -0.08 0.00 -0.11 0.00 0.00 43.42 41.90 2dlx n LEU 144 CO 0.00 -0.87 -0.29 -0.55 -1.51 0.00 0.00 177.39 174.17 2dlx s SER 145 N 8.50 4.37 -0.20 -1.43 0.15 -1.26 -5.08 113.70 118.75 2dlx s SER 145 Ca 1.09 -0.86 -0.16 0.00 0.70 0.00 0.00 55.95 56.73 2dlx s SER 145 Cb -0.70 -0.65 -0.09 0.00 -1.71 0.00 0.00 66.02 62.88 2dlx s SER 145 CO 0.43 -0.18 -0.25 -0.24 1.20 0.00 0.00 173.24 174.20 2dlx n SER 146 N -0.97 1.91 -0.53 5.45 2.88 -1.26 -4.36 113.62 116.73 2dlx n SER 146 Ca -0.04 0.41 0.43 0.00 -1.33 0.00 0.00 58.87 58.34 2dlx n SER 146 Cb 0.61 -0.82 0.74 0.00 -0.75 0.00 0.00 64.21 64.00 2dlx n SER 146 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 2dlx h SER 147 N -1.00 0.10 -2.91 -3.46 4.64 -2.00 -3.37 113.55 105.55 2dlx h SER 147 Ca -0.22 0.05 -0.63 0.00 -0.47 0.00 0.00 61.79 60.52 2dlx h SER 147 Cb 1.09 0.04 -0.07 0.00 -0.31 0.00 0.00 62.40 63.16 2dlx h SER 147 CO -0.13 -0.06 -0.35 -0.55 -0.87 0.00 0.00 176.83 174.87 2dlx s SER 148 N -4.38 6.56 0.00 4.97 0.15 -1.26 -4.87 113.70 114.87 2dlx s SER 148 Ca -0.06 0.67 0.00 0.00 0.70 0.00 0.00 55.95 57.26 2dlx s SER 148 Cb 0.27 -2.16 0.00 0.00 -1.71 0.00 0.00 66.02 62.42 2dlx s SER 148 CO 0.85 0.32 0.00 0.61 1.20 0.00 0.00 173.24 176.22 2dlx n GLY 149 N 2.18 0.75 3.56 9.45 0.00 -1.26 -4.80 105.19 115.06 2dlx n GLY 149 Ca -0.16 -0.60 -0.39 0.00 0.00 0.00 0.00 46.02 44.87 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 0.00 2.75 0.04 1.61 0.04 -1.26 -4.87 135.00 133.31 2dlx s PRO 150 Ca 0.00 0.73 -0.23 0.00 0.04 0.00 0.00 61.00 61.53 2dlx s PRO 150 Cb 0.00 -4.35 -0.16 0.00 0.04 0.00 0.00 34.50 30.03 2dlx s PRO 150 CO 0.00 -2.59 1.48 1.03 0.04 0.00 0.00 177.00 176.96 2dlx h SER 151 N 14.57 0.09 -6.25 6.66 0.87 -1.96 -3.47 113.55 124.07 2dlx h SER 151 Ca -0.27 -0.29 -0.46 0.00 -1.23 0.00 0.00 61.79 59.54 2dlx h SER 151 Cb 1.16 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 63.08 2dlx h SER 151 CO 1.19 0.36 -0.77 -1.20 -0.53 0.00 0.00 176.83 175.87 2dlx n SER 152 N -4.89 -4.05 0.00 6.23 7.64 -1.26 -5.22 113.62 112.06 2dlx n SER 152 Ca -0.07 -0.78 0.00 0.00 1.01 0.00 0.00 58.87 59.03 2dlx n SER 152 Cb 0.17 -3.94 0.00 0.00 -1.01 0.00 0.00 64.21 59.43 2dlx n SER 152 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64