#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dlx n SER 2 N 0.00 -4.82 -4.78 1.61 7.64 -1.26 -5.01 113.62 107.01 2dlx n SER 2 Ca 0.00 -0.49 -0.26 0.00 1.01 0.00 0.00 58.87 59.13 2dlx n SER 2 Cb 0.00 -4.49 0.09 0.00 -1.01 0.00 0.00 64.21 58.80 2dlx n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dlx s SER 3 N -3.52 4.49 0.00 6.43 0.15 -1.26 -5.11 113.70 114.88 2dlx s SER 3 Ca 0.38 0.33 0.00 0.00 0.70 0.00 0.00 55.95 57.36 2dlx s SER 3 Cb -0.17 -0.85 0.00 0.00 -1.71 0.00 0.00 66.02 63.29 2dlx s SER 3 CO 0.64 -1.81 0.00 0.61 1.20 0.00 0.00 173.24 173.88 2dlx n GLY 4 N -3.05 3.70 3.51 9.45 0.00 -1.26 -5.19 105.19 112.35 2dlx n GLY 4 Ca 0.10 -1.55 -0.12 0.00 0.00 0.00 0.00 46.02 44.44 2dlx n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dlx s SER 5 N -0.98 -0.50 0.37 1.61 0.01 -1.26 -5.19 113.70 107.76 2dlx s SER 5 Ca 0.00 0.30 0.06 0.00 1.31 0.00 0.00 55.95 57.62 2dlx s SER 5 Cb 0.00 0.46 -0.07 0.00 0.21 0.00 0.00 66.02 66.62 2dlx s SER 5 CO 0.00 -0.63 0.03 -0.94 0.41 0.00 0.00 173.24 172.11 2dlx s SER 6 N -1.85 3.17 0.00 2.44 1.04 -1.26 -5.10 113.70 112.14 2dlx s SER 6 Ca -0.02 -1.36 0.00 0.00 0.48 0.00 0.00 55.95 55.05 2dlx s SER 6 Cb -0.01 -0.25 0.00 0.00 0.10 0.00 0.00 66.02 65.86 2dlx s SER 6 CO -0.02 -0.51 0.00 0.61 0.98 0.00 0.00 173.24 174.30 2dlx n GLY 7 N -0.83 2.70 2.82 7.32 0.00 -1.26 -5.12 105.19 110.82 2dlx n GLY 7 Ca -0.04 -1.19 -0.16 0.00 0.00 0.00 0.00 46.02 44.63 2dlx n GLY 7 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dlx s ILE 8 N 0.00 -0.37 -0.28 -0.61 1.09 -1.26 -5.12 121.20 114.65 2dlx s ILE 8 Ca 0.00 -0.03 -0.04 0.00 -1.10 0.00 0.00 60.65 59.48 2dlx s ILE 8 Cb 0.00 -0.65 0.15 0.00 -1.06 0.00 0.00 42.46 40.91 2dlx s ILE 8 CO 0.00 -0.13 0.56 -1.81 -0.10 0.00 0.00 174.94 173.46 2dlx s ASP 9 N 2.37 -0.95 -0.24 3.58 1.01 -1.26 -5.13 116.67 116.05 2dlx s ASP 9 Ca 0.07 1.00 -0.03 0.00 0.71 0.00 0.00 52.55 54.29 2dlx s ASP 9 Cb -0.15 1.96 0.11 0.00 1.01 0.00 0.00 42.92 45.85 2dlx s ASP 9 CO -0.12 -0.25 0.24 -1.59 0.21 0.00 0.00 175.17 173.66 2dlx s LYS 10 N 2.80 0.23 -0.02 8.23 -2.85 -1.26 -5.14 119.74 121.73 2dlx s LYS 10 Ca 0.09 0.05 0.05 0.00 -1.00 0.00 0.00 55.97 55.16 2dlx s LYS 10 Cb -0.14 -1.02 -0.01 0.00 -2.06 0.00 0.00 37.83 34.60 2dlx s LYS 10 CO -0.19 -0.80 -0.17 0.15 0.10 0.00 0.00 175.35 174.44 2dlx s LYS 11 N 2.32 1.48 -0.26 1.78 3.01 -1.26 -5.05 119.74 121.77 2dlx s LYS 11 Ca 0.08 -0.61 -0.13 0.00 -1.01 0.00 0.00 55.97 54.31 2dlx s LYS 11 Cb -0.15 -1.39 -0.14 0.00 -1.01 0.00 0.00 37.83 35.14 2dlx s LYS 11 CO -0.21 0.34 -0.22 1.47 0.51 0.00 0.00 175.35 177.24 2dlx n LEU 12 N 2.78 2.12 -4.19 3.17 -0.00 -1.26 -4.98 117.00 114.64 2dlx n LEU 12 Ca -0.16 0.28 -0.36 0.00 -0.00 0.00 0.00 56.01 55.77 2dlx n LEU 12 Cb 0.54 -0.87 -0.04 0.00 -0.00 0.00 0.00 43.42 43.05 2dlx n LEU 12 CO 0.24 0.59 -0.06 0.35 -0.00 0.00 0.00 177.39 178.52 2dlx n THR 13 N -4.10 -0.71 -3.83 1.47 -2.24 -1.26 -4.92 114.28 98.68 2dlx n THR 13 Ca -0.49 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.16 2dlx n THR 13 Cb 0.88 -1.33 -0.14 0.00 -2.10 0.00 0.00 70.33 67.64 2dlx n THR 13 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2dlx s THR 14 N -3.20 -0.01 -0.33 4.28 2.01 -1.26 -5.13 115.64 112.00 2dlx s THR 14 Ca 0.73 0.03 -0.09 0.00 0.31 0.00 0.00 61.69 62.67 2dlx s THR 14 Cb -0.40 -0.13 0.02 0.00 0.01 0.00 0.00 72.50 71.99 2dlx s THR 14 CO 0.89 0.01 0.14 -0.76 -0.69 0.00 0.00 174.62 174.21 2dlx s LEU 15 N 0.23 4.28 0.00 4.42 1.02 -1.26 -5.06 118.68 122.30 2dlx s LEU 15 Ca -0.02 -0.87 -0.26 0.00 0.02 0.00 0.00 54.13 53.01 2dlx s LEU 15 Cb -0.02 -1.94 0.06 0.00 0.02 0.00 0.00 46.19 44.30 2dlx s LEU 15 CO -0.01 -0.28 0.59 0.00 0.02 0.00 0.00 176.35 176.67 2dlx s ALA 16 N 1.51 -1.53 1.18 4.21 0.00 -1.26 -5.17 121.76 120.71 2dlx s ALA 16 Ca 0.02 0.93 -0.17 0.00 0.00 0.00 0.00 51.96 52.74 2dlx s ALA 16 Cb -0.18 0.20 0.24 0.00 0.00 0.00 0.00 23.12 23.38 2dlx s ALA 16 CO 0.05 -0.43 0.51 -0.25 0.00 0.00 0.00 175.76 175.63 2dlx n ASP 17 N 0.68 -3.24 -0.00 0.00 8.00 -1.26 -4.93 116.55 115.80 2dlx n ASP 17 Ca -0.19 -0.50 -0.13 0.00 0.71 0.00 0.00 54.79 54.68 2dlx n ASP 17 Cb 0.59 -0.89 -0.10 0.00 -0.02 0.00 0.00 41.12 40.70 2dlx n ASP 17 CO 0.00 0.00 0.00 0.17 -0.39 0.00 0.00 177.20 176.98 2dlx h LEU 18 N -2.94 -0.03 1.45 0.64 -0.00 -2.04 -3.46 115.31 108.93 2dlx h LEU 18 Ca -0.34 -0.49 -0.34 0.00 -0.00 0.00 0.00 57.88 56.70 2dlx h LEU 18 Cb 1.03 0.01 -0.02 0.00 -0.00 0.00 0.00 40.66 41.68 2dlx h LEU 18 CO 0.22 0.49 -0.49 0.49 -0.00 0.00 0.00 178.44 179.15 2dlx n PHE 19 N -4.86 -1.66 -4.02 0.17 3.01 -1.26 -4.95 117.46 103.89 2dlx n PHE 19 Ca -0.09 0.30 -0.08 0.00 1.01 0.00 0.00 57.45 58.59 2dlx n PHE 19 Cb 0.27 -3.31 -0.11 0.00 -0.01 0.00 0.00 39.48 36.32 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 -5.57 0.42 1.00 -1.08 0.52 -1.26 -5.16 118.95 107.81 2dlx s ARG 20 Ca 0.22 -0.82 -0.12 0.00 -0.52 0.00 0.00 55.73 54.49 2dlx s ARG 20 Cb -0.11 0.13 0.19 0.00 0.52 0.00 0.00 34.95 35.67 2dlx s ARG 20 CO 0.28 -0.07 1.09 -1.25 0.02 0.00 0.00 175.30 175.37 2dlx s PRO 21 N -2.28 0.44 -1.01 3.54 0.04 -1.26 -4.89 135.00 129.58 2dlx s PRO 21 Ca -0.08 0.53 -0.24 0.00 0.04 0.00 0.00 61.00 61.25 2dlx s PRO 21 Cb -0.04 -1.74 -0.06 0.00 0.04 0.00 0.00 34.50 32.70 2dlx s PRO 21 CO -0.04 -2.73 1.94 -1.25 0.04 0.00 0.00 177.00 174.97 2dlx s PRO 22 N -4.96 2.52 -0.17 0.56 0.04 -1.26 -4.71 135.00 127.03 2dlx s PRO 22 Ca 0.65 -0.63 0.16 0.00 0.04 0.00 0.00 61.00 61.22 2dlx s PRO 22 Cb -0.19 -5.13 0.68 0.00 0.04 0.00 0.00 34.50 29.90 2dlx s PRO 22 CO 0.58 -3.62 1.59 0.44 0.04 0.00 0.00 177.00 176.02 2dlx n ILE 23 N 7.86 2.27 -0.28 0.56 -5.35 -1.26 -4.61 119.36 118.54 2dlx n ILE 23 Ca 0.42 -1.47 0.09 0.00 -0.27 0.00 0.00 62.75 61.53 2dlx n ILE 23 Cb 0.47 -0.11 0.24 0.00 -1.74 0.00 0.00 39.64 38.50 2dlx n ILE 23 CO 0.00 0.00 0.00 0.44 -1.76 0.00 0.00 176.55 175.23 2dlx h ASP 24 N 3.25 0.18 0.00 7.28 3.32 -2.01 -2.61 116.42 125.83 2dlx h ASP 24 Ca 0.00 0.15 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 2dlx h ASP 24 Cb 1.61 0.16 -0.00 0.00 0.22 0.00 0.00 39.33 41.31 2dlx h ASP 24 CO 0.31 -0.01 -0.11 0.25 -1.72 0.00 0.00 179.24 177.96 2dlx h LEU 25 N 0.35 0.00 -9.34 1.55 5.85 -1.99 -3.45 115.31 108.28 2dlx h LEU 25 Ca 0.48 -0.82 -0.53 0.00 0.84 0.00 0.00 57.88 57.85 2dlx h LEU 25 Cb 0.86 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.91 2dlx h LEU 25 CO -0.51 0.98 1.22 -0.04 -0.34 0.00 0.00 178.44 179.74 2dlx s MET 26 N -2.15 4.13 -0.34 1.25 -1.94 -0.98 -4.52 119.30 114.75 2dlx s MET 26 Ca -0.17 2.55 -0.29 0.00 -1.71 0.00 0.00 55.69 56.07 2dlx s MET 26 Cb -0.02 -4.14 0.02 0.00 2.01 0.00 0.00 34.83 32.70 2dlx s MET 26 CO 0.59 -0.96 1.06 -1.58 -0.01 0.00 0.00 175.02 174.12 2dlx s HIS 27 N 4.47 3.11 -0.11 -0.03 2.46 -1.19 -4.83 115.29 119.17 2dlx s HIS 27 Ca 0.87 1.10 -0.24 0.00 0.47 0.00 0.00 55.06 57.26 2dlx s HIS 27 Cb -0.41 -3.74 -0.03 0.00 -0.13 0.00 0.00 32.58 28.27 2dlx s HIS 27 CO 0.40 -0.81 0.75 0.21 -2.47 0.00 0.00 174.74 172.82 2dlx s LYS 28 N 3.69 4.37 0.00 2.88 2.20 -1.26 -4.93 119.74 126.69 2dlx s LYS 28 Ca 0.45 0.93 0.00 0.00 -0.36 0.00 0.00 55.97 56.98 2dlx s LYS 28 Cb -0.12 -3.51 0.00 0.00 -1.51 0.00 0.00 37.83 32.70 2dlx s LYS 28 CO 0.17 -0.11 0.00 0.41 -0.36 0.00 0.00 175.35 175.46 2dlx n GLY 29 N 3.30 0.91 4.02 5.54 0.00 -1.26 -5.05 105.19 112.65 2dlx n GLY 29 Ca 0.01 -1.96 -0.19 0.00 0.00 0.00 0.00 46.02 43.88 2dlx n GLY 29 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dlx s SER 30 N -4.00 5.18 0.15 1.61 1.04 -1.26 -5.01 113.70 111.41 2dlx s SER 30 Ca 0.00 -0.59 -0.15 0.00 0.48 0.00 0.00 55.95 55.69 2dlx s SER 30 Cb 0.00 -0.12 0.03 0.00 0.10 0.00 0.00 66.02 66.03 2dlx s SER 30 CO 0.00 -1.22 1.76 0.15 0.98 0.00 0.00 173.24 174.91 2dlx h PHE 31 N 0.21 0.63 -0.91 5.02 3.57 -1.99 -2.93 116.94 120.55 2dlx h PHE 31 Ca -0.35 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.22 2dlx h PHE 31 Cb 1.28 -0.20 -0.11 0.00 2.79 0.00 0.00 35.95 39.71 2dlx h PHE 31 CO 0.34 0.47 -0.53 -1.91 -2.23 0.00 0.00 178.31 174.44 2dlx n GLU 32 N -4.69 -0.40 -0.15 1.11 2.13 -1.26 -0.28 120.64 117.11 2dlx n GLU 32 Ca 0.01 1.44 -0.05 0.00 0.66 0.00 0.00 57.16 59.22 2dlx n GLU 32 Cb 0.08 -2.11 0.04 0.00 0.27 0.00 0.00 31.44 29.71 2dlx n GLU 32 CO 0.00 0.00 0.00 1.79 -0.41 0.00 0.00 177.13 178.51 2dlx h THR 33 N 0.00 0.95 -1.45 6.31 1.35 -1.95 -1.84 112.91 116.28 2dlx h THR 33 Ca 0.14 -0.15 0.42 0.00 -0.55 0.00 0.00 66.41 66.27 2dlx h THR 33 Cb 0.37 0.47 -0.06 0.00 -1.73 0.00 0.00 68.15 67.21 2dlx h THR 33 CO -0.85 0.08 1.22 0.00 -0.25 0.00 0.00 175.52 175.72 2dlx n ALA 34 N -2.32 1.39 -0.07 6.62 0.00 0.61 0.11 120.51 126.86 2dlx n ALA 34 Ca 0.03 0.48 -0.19 0.00 0.00 0.00 0.00 53.44 53.76 2dlx n ALA 34 Cb 0.13 -0.83 -0.13 0.00 0.00 0.00 0.00 19.45 18.62 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 0.05 -0.70 0.00 1.57 -1.16 -3.27 116.57 113.05 2dlx h LYS 35 Ca 0.69 -0.08 0.01 0.00 -1.87 0.00 0.00 60.65 59.39 2dlx h LYS 35 Cb 3.12 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 35.43 2dlx h LYS 35 CO -0.01 1.04 0.47 1.05 -0.57 0.00 0.00 179.45 181.43 2dlx h GLU 36 N -0.87 0.92 -0.23 3.15 4.11 0.86 -2.80 114.58 119.73 2dlx h GLU 36 Ca -0.20 -0.06 0.05 0.00 0.07 0.00 0.00 59.36 59.22 2dlx h GLU 36 Cb 1.27 -0.21 -0.05 0.00 0.50 0.00 0.00 28.75 30.27 2dlx h GLU 36 CO -0.08 0.61 -0.08 0.00 0.07 0.00 0.00 179.01 179.54 2dlx h GLY 38 N -0.03 1.80 0.94 0.00 0.00 -1.55 0.17 103.07 104.39 2dlx h GLY 38 Ca 0.12 -0.21 -0.22 0.00 0.00 0.00 0.00 47.33 47.02 2dlx h GLY 38 CO -0.26 -0.41 -0.88 1.46 0.00 0.00 0.00 176.54 176.45 2dlx h GLN 39 N 0.30 0.48 0.17 4.80 4.20 -1.34 1.31 115.11 125.04 2dlx h GLN 39 Ca 0.73 -0.61 0.01 0.00 0.06 0.00 0.00 58.65 58.84 2dlx h GLN 39 Cb 1.79 0.19 -0.04 0.00 0.30 0.00 0.00 27.48 29.72 2dlx h GLN 39 CO -0.52 1.24 -0.50 0.52 -0.67 0.00 0.00 178.83 178.90 2dlx h MET 40 N 0.01 -0.72 -0.09 1.46 2.86 0.22 -1.80 114.93 116.87 2dlx h MET 40 Ca -0.13 0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 2dlx h MET 40 Cb 1.60 0.16 0.00 0.00 0.06 0.00 0.00 31.60 33.42 2dlx h MET 40 CO 0.17 -0.48 0.00 1.04 1.06 0.00 0.00 176.91 178.70 2dlx n GLN 41 N -5.29 1.60 -3.67 1.72 1.13 -0.61 -4.92 117.38 107.33 2dlx n GLN 41 Ca -0.08 -0.89 -0.24 0.00 -1.94 0.00 0.00 57.00 53.85 2dlx n GLN 41 Cb 0.40 -1.42 0.06 0.00 0.11 0.00 0.00 30.24 29.38 2dlx n GLN 41 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 2dlx n ASN 42 N 0.09 -4.51 -4.36 1.08 3.02 0.22 -4.92 115.26 105.89 2dlx n ASN 42 Ca 0.17 -0.66 -0.32 0.00 -0.03 0.00 0.00 54.58 53.75 2dlx n ASN 42 Cb 0.30 -4.61 -0.15 0.00 -0.61 0.00 0.00 39.78 34.71 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 -6.19 2.39 1.36 3.52 1.02 0.43 -3.87 119.74 118.40 2dlx s LYS 43 Ca 0.43 -0.84 -0.21 0.00 0.02 0.00 0.00 55.97 55.37 2dlx s LYS 43 Cb -0.20 -2.20 0.33 0.00 -0.52 0.00 0.00 37.83 35.24 2dlx s LYS 43 CO 0.77 0.53 0.79 0.91 -0.92 0.00 0.00 175.35 177.43 2dlx n TRP 44 N 2.55 -3.14 -4.84 3.18 7.02 0.12 -4.10 117.44 118.22 2dlx n TRP 44 Ca -0.17 -0.57 -0.27 0.00 -1.02 0.00 0.00 57.50 55.47 2dlx n TRP 44 Cb 0.52 -1.41 -0.15 0.00 -2.42 0.00 0.00 31.31 27.85 2dlx n TRP 44 CO 0.00 0.00 0.00 -1.17 -2.02 0.00 0.00 177.69 174.50 2dlx s LEU 45 N -6.49 2.11 -0.08 -0.99 2.96 -1.17 -0.57 118.68 114.45 2dlx s LEU 45 Ca 0.63 -0.46 0.01 0.00 -0.22 0.00 0.00 54.13 54.09 2dlx s LEU 45 Cb -0.13 -1.04 0.02 0.00 0.50 0.00 0.00 46.19 45.53 2dlx s LEU 45 CO 0.55 0.21 -0.09 -0.32 -1.32 0.00 0.00 176.35 175.38 2dlx s MET 46 N -0.85 1.48 -0.04 1.98 -2.45 -1.15 -2.77 119.30 115.50 2dlx s MET 46 Ca 0.08 -0.30 0.01 0.00 -1.25 0.00 0.00 55.69 54.23 2dlx s MET 46 Cb -0.09 -1.37 -0.03 0.00 1.25 0.00 0.00 34.83 34.60 2dlx s MET 46 CO 0.01 -0.09 -0.06 0.42 1.05 0.00 0.00 175.02 176.35 2dlx s ILE 47 N 1.07 3.77 -0.20 10.11 -1.09 -1.20 -3.06 121.20 130.60 2dlx s ILE 47 Ca -0.07 -0.57 -0.04 0.00 -2.23 0.00 0.00 60.65 57.74 2dlx s ILE 47 Cb -0.14 -2.59 0.10 0.00 -1.58 0.00 0.00 42.46 38.24 2dlx s ILE 47 CO -0.01 0.51 0.25 0.21 -1.23 0.00 0.00 174.94 174.68 2dlx s ASN 48 N -1.08 1.05 -0.06 3.58 3.84 -1.00 -3.95 114.94 117.32 2dlx s ASN 48 Ca 0.15 -0.05 -0.16 0.00 0.21 0.00 0.00 52.86 53.01 2dlx s ASN 48 Cb -0.11 0.55 -0.05 0.00 -0.55 0.00 0.00 41.25 41.08 2dlx s ASN 48 CO 0.04 -0.31 0.42 -0.63 -2.79 0.00 0.00 177.10 173.84 2dlx s ILE 49 N 2.37 5.11 -0.06 -5.21 -1.09 -1.22 -2.96 121.20 118.16 2dlx s ILE 49 Ca 0.07 0.86 0.05 0.00 -2.23 0.00 0.00 60.65 59.40 2dlx s ILE 49 Cb -0.15 -3.75 -0.02 0.00 -1.58 0.00 0.00 42.46 36.96 2dlx s ILE 49 CO -0.12 0.46 -0.19 0.00 -1.23 0.00 0.00 174.94 173.85 2dlx s GLN 50 N -0.25 2.56 -0.41 2.79 -2.07 -1.21 -4.49 119.66 116.59 2dlx s GLN 50 Ca 0.24 -0.80 -0.14 0.00 -1.82 0.00 0.00 55.36 52.84 2dlx s GLN 50 Cb -0.16 -2.29 0.03 0.00 -1.09 0.00 0.00 33.01 29.50 2dlx s GLN 50 CO 0.11 0.49 0.29 -0.80 -1.32 0.00 0.00 175.29 174.06 2dlx s ASN 51 N -0.40 6.03 0.47 12.60 0.01 -1.26 -3.18 114.94 129.20 2dlx s ASN 51 Ca 0.04 -0.96 0.15 0.00 -0.71 0.00 0.00 52.86 51.38 2dlx s ASN 51 Cb -0.12 -2.13 1.12 0.00 0.41 0.00 0.00 41.25 40.53 2dlx s ASN 51 CO 0.02 -0.45 2.04 1.62 -1.51 0.00 0.00 177.10 178.81 2dlx h VAL 52 N 5.70 0.93 0.03 1.60 3.04 -2.00 -3.18 116.25 122.36 2dlx h VAL 52 Ca -0.27 -0.09 -0.00 0.00 -1.01 0.00 0.00 66.70 65.33 2dlx h VAL 52 Cb 1.12 0.64 0.00 0.00 -2.01 0.00 0.00 31.29 31.03 2dlx h VAL 52 CO 0.73 0.05 -0.01 1.56 -1.01 0.00 0.00 177.57 178.88 2dlx h GLN 53 N 0.26 -0.04 -6.91 4.17 1.08 -2.06 -3.47 115.11 108.15 2dlx h GLN 53 Ca 0.19 0.00 -0.38 0.00 -1.45 0.00 0.00 58.65 57.01 2dlx h GLN 53 Cb 0.40 0.01 0.21 0.00 -0.05 0.00 0.00 27.48 28.05 2dlx h GLN 53 CO -0.04 -0.03 -0.17 -0.25 -0.95 0.00 0.00 178.83 177.39 2dlx n ASP 54 N -2.38 -3.45 -0.02 1.46 9.92 -1.20 -5.00 116.55 115.88 2dlx n ASP 54 Ca -0.00 -0.64 -0.03 0.00 -0.53 0.00 0.00 54.79 53.59 2dlx n ASP 54 Cb 0.02 -1.05 -0.03 0.00 -0.64 0.00 0.00 41.12 39.42 2dlx n ASP 54 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 2dlx n PHE 55 N -5.50 0.00 -0.29 1.24 3.01 -1.26 -4.67 117.46 109.98 2dlx n PHE 55 Ca 0.10 0.00 0.27 0.00 1.01 0.00 0.00 57.45 58.83 2dlx n PHE 55 Cb 0.57 -0.19 0.48 0.00 -0.01 0.00 0.00 39.48 40.33 2dlx n PHE 55 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2dlx n ALA 56 N -2.40 0.89 -0.13 4.37 0.00 -1.26 0.22 120.51 122.20 2dlx n ALA 56 Ca -0.08 0.75 -0.07 0.00 0.00 0.00 0.00 53.44 54.04 2dlx n ALA 56 Cb 0.61 -0.80 0.01 0.00 0.00 0.00 0.00 19.45 19.27 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 0.51 0.39 -0.58 0.00 -0.00 0.23 -3.07 115.11 112.58 2dlx h GLN 58 Ca 0.16 -0.31 0.02 0.00 -0.00 0.00 0.00 58.65 58.52 2dlx h GLN 58 Cb -0.01 0.06 -0.03 0.00 -0.00 0.00 0.00 27.48 27.50 2dlx h GLN 58 CO -0.06 0.94 0.39 0.00 -0.00 0.00 0.00 178.83 180.10 2dlx h LEU 60 N 0.71 -0.46 -1.68 0.00 3.38 -1.30 -3.13 115.31 112.83 2dlx h LEU 60 Ca 0.23 0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.25 2dlx h LEU 60 Cb 0.03 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 2dlx h LEU 60 CO -0.06 -0.11 0.49 -1.13 0.09 0.00 0.00 178.44 177.73 2dlx h ASN 61 N -1.00 0.00 -0.53 -0.43 -0.73 -1.46 0.35 115.58 111.79 2dlx h ASN 61 Ca -0.06 0.00 0.05 0.00 1.87 0.00 0.00 56.30 58.17 2dlx h ASN 61 Cb 0.42 0.00 -0.08 0.00 0.27 0.00 0.00 38.32 38.93 2dlx h ASN 61 CO 0.09 0.00 -0.44 -0.09 -0.37 0.00 0.00 177.43 176.63 2dlx h ARG 62 N 0.00 -0.15 0.00 6.67 2.43 -1.26 -2.54 114.38 119.53 2dlx h ARG 62 Ca 0.07 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.21 2dlx h ARG 62 Cb 1.05 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.63 2dlx h ARG 62 CO -0.00 -0.10 -1.14 -0.25 -1.51 0.00 0.00 179.97 176.97 2dlx n ASP 63 N -4.72 4.32 0.03 -3.80 8.00 -1.00 -4.36 116.55 115.03 2dlx n ASP 63 Ca -0.01 -0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.48 2dlx n ASP 63 Cb 0.23 0.39 -0.01 0.00 -0.02 0.00 0.00 41.12 41.71 2dlx n ASP 63 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 2dlx h VAL 64 N 0.00 0.00 -0.14 2.53 2.07 -1.08 0.10 116.25 119.73 2dlx h VAL 64 Ca -0.05 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.47 2dlx h VAL 64 Cb 1.11 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 2dlx h VAL 64 CO -0.00 0.00 0.00 0.79 0.02 0.00 0.00 177.57 178.38 2dlx n TRP 65 N -2.31 0.41 -0.05 1.57 7.02 -1.23 -3.54 117.44 119.32 2dlx n TRP 65 Ca -0.01 -0.15 -0.06 0.00 -1.02 0.00 0.00 57.50 56.26 2dlx n TRP 65 Cb 0.03 -0.15 -0.05 0.00 -2.42 0.00 0.00 31.31 28.72 2dlx n TRP 65 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 2dlx n SER 66 N 0.10 3.17 -4.49 -0.99 2.88 -0.96 -4.88 113.62 108.46 2dlx n SER 66 Ca 0.06 -0.04 -0.48 0.00 -1.33 0.00 0.00 58.87 57.08 2dlx n SER 66 Cb 0.39 0.13 -0.06 0.00 -0.75 0.00 0.00 64.21 63.92 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 -2.62 2.45 -0.34 -3.46 2.85 0.34 -4.82 115.26 109.65 2dlx n ASN 67 Ca -0.16 0.33 -0.02 0.00 -0.11 0.00 0.00 54.58 54.61 2dlx n ASN 67 Cb 0.71 -1.35 0.02 0.00 1.24 0.00 0.00 39.78 40.40 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 8.39 -0.22 -0.29 1.20 2.13 -1.26 0.88 120.64 131.47 2dlx n GLU 68 Ca 0.38 1.32 0.07 0.00 0.66 0.00 0.00 57.16 59.59 2dlx n GLU 68 Cb 0.30 -1.96 0.17 0.00 0.27 0.00 0.00 31.44 30.22 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 1.09 0.81 -0.81 4.31 0.00 -1.98 0.42 119.26 123.11 2dlx h ALA 69 Ca 0.28 0.28 -0.01 0.00 0.00 0.00 0.00 54.91 55.47 2dlx h ALA 69 Cb 0.49 0.51 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 2dlx h ALA 69 CO -0.85 -0.45 0.47 0.28 0.00 0.00 0.00 179.25 178.71 2dlx h VAL 70 N 0.06 1.23 -0.30 0.00 2.07 0.19 -2.05 116.25 117.45 2dlx h VAL 70 Ca 0.45 -0.53 -0.03 0.00 0.82 0.00 0.00 66.70 67.41 2dlx h VAL 70 Cb 0.81 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 2dlx h VAL 70 CO -0.77 0.25 0.09 0.11 0.02 0.00 0.00 177.57 177.26 2dlx h LYS 71 N 1.12 0.47 0.00 1.57 1.57 0.34 0.28 116.57 121.91 2dlx h LYS 71 Ca 0.29 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.96 2dlx h LYS 71 Cb -0.02 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.23 2dlx h LYS 71 CO -0.05 0.53 -0.03 -0.91 -0.57 0.00 0.00 179.45 178.42 2dlx h ASN 72 N 0.32 0.00 0.13 0.86 2.35 -0.54 0.31 115.58 119.01 2dlx h ASN 72 Ca 0.10 0.00 -0.29 0.00 -0.55 0.00 0.00 56.30 55.56 2dlx h ASN 72 Cb 0.26 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.63 2dlx h ASN 72 CO -0.00 0.03 -1.47 0.40 -1.65 0.00 0.00 177.43 174.73 2dlx h ILE 73 N 0.00 1.01 0.00 2.81 2.04 -0.92 -2.69 117.51 119.77 2dlx h ILE 73 Ca -0.00 -2.42 0.00 0.00 1.00 0.00 0.00 64.86 63.44 2dlx h ILE 73 Cb 0.06 2.72 0.00 0.00 -0.74 0.00 0.00 36.82 38.86 2dlx h ILE 73 CO 0.00 0.73 0.00 0.40 0.00 0.00 0.00 178.15 179.29 2dlx h ILE 74 N -0.23 0.00 0.04 -0.67 2.04 -0.10 -0.10 117.51 118.48 2dlx h ILE 74 Ca -0.31 -0.36 -0.35 0.00 1.00 0.00 0.00 64.86 64.85 2dlx h ILE 74 Cb 1.82 1.20 -0.05 0.00 -0.74 0.00 0.00 36.82 39.05 2dlx h ILE 74 CO 0.08 0.00 -2.07 -2.11 0.00 0.00 0.00 178.15 174.05 2dlx n ARG 75 N -2.34 0.68 -0.01 2.37 1.85 0.11 -1.88 116.66 117.45 2dlx n ARG 75 Ca 0.03 0.20 -0.01 0.00 -1.00 0.00 0.00 57.85 57.07 2dlx n ARG 75 Cb 0.31 -1.67 -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 -3.15 0.07 -0.35 2.89 2.13 -1.01 -4.50 120.64 116.72 2dlx n GLU 76 Ca -0.30 0.28 0.02 0.00 0.66 0.00 0.00 57.16 57.82 2dlx n GLU 76 Cb 1.06 -0.88 0.16 0.00 0.27 0.00 0.00 31.44 32.05 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 -0.15 1.12 -1.64 4.31 3.86 -1.23 -3.43 115.15 117.99 2dlx h HIS 77 Ca 0.00 0.03 -0.61 0.00 -1.16 0.00 0.00 60.37 58.63 2dlx h HIS 77 Cb 0.08 -0.36 -0.13 0.00 1.06 0.00 0.00 27.41 28.06 2dlx h HIS 77 CO -0.03 0.57 -0.53 -0.06 0.86 0.00 0.00 177.93 178.74 2dlx s PHE 78 N -6.05 1.88 -0.40 2.45 0.40 -1.03 0.13 117.98 115.37 2dlx s PHE 78 Ca -0.12 -1.09 -0.12 0.00 -0.60 0.00 0.00 56.93 55.00 2dlx s PHE 78 Cb 0.19 -1.40 0.04 0.00 0.51 0.00 0.00 43.02 42.37 2dlx s PHE 78 CO 0.80 -0.01 0.25 0.42 0.70 0.00 0.00 175.22 177.39 2dlx s ILE 79 N -3.04 4.68 -0.27 0.64 -1.09 0.26 -3.27 121.20 119.12 2dlx s ILE 79 Ca 0.18 -0.96 -0.33 0.00 -2.23 0.00 0.00 60.65 57.30 2dlx s ILE 79 Cb 0.03 -3.68 -0.10 0.00 -1.58 0.00 0.00 42.46 37.13 2dlx s ILE 79 CO 0.10 -0.34 2.13 0.33 -1.23 0.00 0.00 174.94 175.93 2dlx n PHE 80 N 5.03 1.84 -3.72 3.97 7.35 -0.79 -2.95 117.46 128.20 2dlx n PHE 80 Ca -0.11 0.12 -0.17 0.00 -0.76 0.00 0.00 57.45 56.53 2dlx n PHE 80 Cb 0.45 -2.61 -0.17 0.00 0.35 0.00 0.00 39.48 37.51 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 6.92 0.01 -0.14 -5.13 -0.00 -1.17 -3.18 118.94 116.25 2dlx s TRP 81 Ca 1.04 0.26 -0.06 0.00 -0.00 0.00 0.00 56.10 57.34 2dlx s TRP 81 Cb -0.69 -0.33 0.06 0.00 -0.00 0.00 0.00 33.47 32.51 2dlx s TRP 81 CO 0.46 -0.16 0.29 -1.14 -0.00 0.00 0.00 176.95 176.41 2dlx s GLN 82 N 1.66 0.21 0.01 5.86 0.74 -1.26 -2.38 119.66 124.49 2dlx s GLN 82 Ca -0.02 0.74 -0.03 0.00 0.05 0.00 0.00 55.36 56.10 2dlx s GLN 82 Cb -0.12 -0.01 -0.01 0.00 1.10 0.00 0.00 33.01 33.97 2dlx s GLN 82 CO -0.04 -0.24 0.03 0.14 -0.55 0.00 0.00 175.29 174.64 2dlx s VAL 83 N 2.06 0.08 0.65 1.34 -7.23 -1.15 -5.03 120.40 111.11 2dlx s VAL 83 Ca -0.03 -0.70 -0.14 0.00 -1.81 0.00 0.00 61.98 59.30 2dlx s VAL 83 Cb -0.11 -0.28 -0.01 0.00 0.56 0.00 0.00 36.38 36.53 2dlx s VAL 83 CO -0.10 -0.38 1.08 -0.31 -0.31 0.00 0.00 175.10 175.08 2dlx s TYR 84 N -1.20 2.87 -0.02 2.82 1.51 -1.26 -3.32 117.35 118.75 2dlx s TYR 84 Ca -0.13 1.51 -0.23 0.00 -1.01 0.00 0.00 57.07 57.21 2dlx s TYR 84 Cb -0.08 -3.03 -0.16 0.00 -0.11 0.00 0.00 41.96 38.58 2dlx s TYR 84 CO -0.00 -1.36 1.05 1.12 -1.11 0.00 0.00 175.55 175.25 2dlx h HIS 85 N -0.02 -0.26 -0.92 2.71 2.07 -1.87 -3.03 115.15 113.83 2dlx h HIS 85 Ca -0.46 -0.01 0.24 0.00 -2.85 0.00 0.00 60.37 57.30 2dlx h HIS 85 Cb 1.23 0.09 -0.13 0.00 2.57 0.00 0.00 27.41 31.16 2dlx h HIS 85 CO 0.58 0.14 0.40 -0.44 -3.07 0.00 0.00 177.93 175.54 2dlx h ASP 86 N -0.79 0.32 -3.90 3.10 3.32 -1.92 -2.07 116.42 114.49 2dlx h ASP 86 Ca -0.03 0.17 -0.54 0.00 0.02 0.00 0.00 57.03 56.65 2dlx h ASP 86 Cb 0.51 0.15 0.11 0.00 0.22 0.00 0.00 39.33 40.33 2dlx h ASP 86 CO 0.05 -0.05 0.76 -1.54 -1.72 0.00 0.00 179.24 176.74 2dlx n SER 87 N -5.07 3.73 -0.38 6.45 3.41 -1.22 -4.64 113.62 115.90 2dlx n SER 87 Ca 0.24 1.22 -0.05 0.00 -0.26 0.00 0.00 58.87 60.02 2dlx n SER 87 Cb 0.72 -1.62 -0.02 0.00 -0.26 0.00 0.00 64.21 63.03 2dlx n SER 87 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2dlx n GLU 88 N 0.40 -0.31 -0.34 4.33 1.02 -1.26 0.05 120.64 124.53 2dlx n GLU 88 Ca 0.02 1.45 0.01 0.00 -0.02 0.00 0.00 57.16 58.62 2dlx n GLU 88 Cb 0.39 -2.14 0.08 0.00 -0.02 0.00 0.00 31.44 29.75 2dlx n GLU 88 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2dlx h GLU 89 N 0.00 -0.02 -0.37 3.49 3.07 -1.88 0.42 114.58 119.30 2dlx h GLU 89 Ca 0.25 0.00 -0.12 0.00 -0.50 0.00 0.00 59.36 59.00 2dlx h GLU 89 Cb 0.49 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.39 2dlx h GLU 89 CO -0.92 -0.01 -0.24 0.78 -1.40 0.00 0.00 179.01 177.22 2dlx h GLY 90 N -0.02 0.80 0.17 -3.84 0.00 -0.25 -2.89 103.07 97.04 2dlx h GLY 90 Ca 0.39 -0.69 0.04 0.00 0.00 0.00 0.00 47.33 47.07 2dlx h GLY 90 CO -0.94 0.63 -0.33 1.46 0.00 0.00 0.00 176.54 177.36 2dlx h GLN 91 N 0.64 -0.40 0.39 4.80 1.08 0.18 -1.94 115.11 119.86 2dlx h GLN 91 Ca 0.09 0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.30 2dlx h GLN 91 Cb 0.75 0.09 -0.00 0.00 -0.05 0.00 0.00 27.48 28.26 2dlx h GLN 91 CO 0.06 -0.27 -0.22 0.00 -0.95 0.00 0.00 178.83 177.45 2dlx h ARG 92 N -0.41 -0.55 -0.98 1.46 3.08 -1.35 -2.65 114.38 112.97 2dlx h ARG 92 Ca 0.09 0.04 0.33 0.00 0.07 0.00 0.00 59.98 60.51 2dlx h ARG 92 Cb 0.55 0.13 -0.17 0.00 0.08 0.00 0.00 29.97 30.56 2dlx h ARG 92 CO -0.34 -0.37 0.33 -0.92 -1.07 0.00 0.00 179.97 177.60 2dlx h TYR 93 N -0.57 0.49 -0.32 3.04 3.20 -1.26 0.65 116.97 122.19 2dlx h TYR 93 Ca -0.05 0.05 0.05 0.00 3.14 0.00 0.00 58.73 61.93 2dlx h TYR 93 Cb 0.46 -0.05 -0.08 0.00 1.54 0.00 0.00 36.73 38.60 2dlx h TYR 93 CO -0.08 -0.38 -0.51 0.82 -1.64 0.00 0.00 178.16 176.37 2dlx h ILE 94 N 0.08 0.04 -0.68 1.81 2.04 -0.98 -1.04 117.51 118.78 2dlx h ILE 94 Ca 0.71 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.62 2dlx h ILE 94 Cb 1.67 0.04 -0.05 0.00 -0.74 0.00 0.00 36.82 37.74 2dlx h ILE 94 CO -0.78 0.00 0.39 1.56 0.00 0.00 0.00 178.15 179.32 2dlx h GLN 95 N -0.44 0.70 -0.59 2.37 1.08 -0.96 1.89 115.11 119.17 2dlx h GLN 95 Ca 0.08 -0.04 0.05 0.00 -1.45 0.00 0.00 58.65 57.29 2dlx h GLN 95 Cb 0.62 -0.16 -0.07 0.00 -0.05 0.00 0.00 27.48 27.82 2dlx h GLN 95 CO -0.54 0.47 -0.35 0.34 -0.95 0.00 0.00 178.83 177.80 2dlx n PHE 96 N -4.76 -0.26 -0.37 2.96 -0.00 -0.41 -1.19 117.46 113.43 2dlx n PHE 96 Ca 0.08 0.73 0.08 0.00 -0.00 0.00 0.00 57.45 58.35 2dlx n PHE 96 Cb 0.16 -0.53 0.24 0.00 -0.00 0.00 0.00 39.48 39.35 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 -4.34 0.80 -3.75 -5.13 4.02 -1.11 -4.97 117.16 102.69 2dlx n TYR 97 Ca 0.01 -0.55 -0.24 0.00 -0.01 0.00 0.00 57.90 57.11 2dlx n TYR 97 Cb 0.15 -0.08 0.04 0.00 -0.02 0.00 0.00 39.34 39.43 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 0.82 -5.58 -1.16 -0.72 4.76 0.60 -4.90 118.16 111.98 2dlx n LYS 98 Ca 0.18 0.65 -0.35 0.00 -2.87 0.00 0.00 58.31 55.92 2dlx n LYS 98 Cb 0.59 -5.42 0.09 0.00 -1.84 0.00 0.00 35.03 28.45 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 -4.49 1.01 0.00 -0.35 0.00 0.10 -4.90 117.00 108.38 2dlx n LEU 99 Ca -0.14 0.54 0.00 0.00 0.00 0.00 0.00 56.01 56.40 2dlx n LEU 99 Cb 0.61 -1.25 0.00 0.00 0.00 0.00 0.00 43.42 42.79 2dlx n LEU 99 CO 0.70 -3.06 0.00 0.61 0.00 0.00 0.00 177.39 175.64 2dlx n GLY 100 N 1.51 0.04 3.71 -3.96 0.00 -1.26 -4.90 105.19 100.33 2dlx n GLY 100 Ca 0.10 -0.02 -0.23 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.01 4.83 0.03 1.61 1.11 -1.26 -5.14 116.67 116.83 2dlx s ASP 101 Ca 0.00 -0.56 -0.02 0.00 0.18 0.00 0.00 52.55 52.14 2dlx s ASP 101 Cb 0.00 -0.97 -0.02 0.00 1.07 0.00 0.00 42.92 43.00 2dlx s ASP 101 CO 0.00 -0.07 0.02 -0.36 1.18 0.00 0.00 175.17 175.94 2dlx s PHE 102 N -2.29 0.26 1.08 4.23 0.40 -1.26 -4.31 117.98 116.10 2dlx s PHE 102 Ca 0.33 -0.56 -0.15 0.00 -0.60 0.00 0.00 56.93 55.95 2dlx s PHE 102 Cb -0.06 -0.19 0.23 0.00 0.51 0.00 0.00 43.02 43.50 2dlx s PHE 102 CO 0.22 -0.27 1.10 -1.25 0.70 0.00 0.00 175.22 175.72 2dlx s PRO 103 N -2.09 -0.26 -0.04 0.24 0.04 -1.26 -5.06 135.00 126.56 2dlx s PRO 103 Ca -0.10 0.29 0.01 0.00 0.04 0.00 0.00 61.00 61.23 2dlx s PRO 103 Cb -0.05 -1.68 0.02 0.00 0.04 0.00 0.00 34.50 32.84 2dlx s PRO 103 CO -0.03 -3.14 -0.02 -0.47 0.04 0.00 0.00 177.00 173.37 2dlx s TYR 104 N -2.98 0.57 -0.08 0.56 6.14 -1.26 -4.88 117.35 115.43 2dlx s TYR 104 Ca 0.67 -0.12 -0.05 0.00 0.64 0.00 0.00 57.07 58.21 2dlx s TYR 104 Cb -0.15 -0.57 0.03 0.00 0.42 0.00 0.00 41.96 41.68 2dlx s TYR 104 CO 0.57 -0.17 0.19 0.08 0.64 0.00 0.00 175.55 176.86 2dlx s VAL 105 N 1.01 -0.02 -0.15 3.14 1.01 -1.16 -3.38 120.40 120.85 2dlx s VAL 105 Ca -0.10 0.07 -0.23 0.00 0.00 0.00 0.00 61.98 61.72 2dlx s VAL 105 Cb -0.14 -0.28 0.06 0.00 0.00 0.00 0.00 36.38 36.02 2dlx s VAL 105 CO -0.01 0.03 0.58 -0.55 0.00 0.00 0.00 175.10 175.15 2dlx s SER 106 N 0.55 -0.58 -0.37 3.32 0.15 -1.25 -1.10 113.70 114.42 2dlx s SER 106 Ca -0.04 0.92 -0.18 0.00 0.70 0.00 0.00 55.95 57.36 2dlx s SER 106 Cb -0.05 0.91 0.00 0.00 -1.71 0.00 0.00 66.02 65.17 2dlx s SER 106 CO -0.03 -0.35 0.50 -0.63 1.20 0.00 0.00 173.24 173.93 2dlx s ILE 107 N -0.32 5.02 0.37 6.45 1.01 -0.70 -3.24 121.20 129.79 2dlx s ILE 107 Ca -0.05 0.19 0.00 0.00 0.00 0.00 0.00 60.65 60.79 2dlx s ILE 107 Cb -0.03 -3.99 -0.03 0.00 0.01 0.00 0.00 42.46 38.42 2dlx s ILE 107 CO 0.04 -0.27 0.58 -0.76 0.00 0.00 0.00 174.94 174.52 2dlx s LEU 108 N 2.37 3.95 -0.18 2.97 2.01 -1.11 -0.97 118.68 127.71 2dlx s LEU 108 Ca 0.17 0.47 -0.01 0.00 0.01 0.00 0.00 54.13 54.77 2dlx s LEU 108 Cb -0.16 -3.34 0.00 0.00 0.01 0.00 0.00 46.19 42.70 2dlx s LEU 108 CO 0.14 -0.36 -0.12 -0.62 1.01 0.00 0.00 176.35 176.40 2dlx s ASP 109 N -4.06 3.77 0.48 2.29 -1.08 -0.86 -3.02 116.67 114.19 2dlx s ASP 109 Ca 0.41 -0.48 0.31 0.00 -0.52 0.00 0.00 52.55 52.28 2dlx s ASP 109 Cb -0.10 -1.61 1.31 0.00 -1.46 0.00 0.00 42.92 41.06 2dlx s ASP 109 CO 0.37 0.03 1.93 1.55 0.52 0.00 0.00 175.17 179.56 2dlx h PRO 110 N 7.74 0.00 0.11 4.34 0.13 -1.87 0.57 132.00 143.02 2dlx h PRO 110 Ca -0.39 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.73 2dlx h PRO 110 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2dlx h PRO 110 CO 0.60 0.00 -0.05 0.00 -0.23 0.00 0.00 178.00 178.32 2dlx h ARG 111 N 0.00 -0.15 0.16 0.86 3.08 -1.93 -3.41 114.38 112.99 2dlx h ARG 111 Ca 0.00 0.01 -0.29 0.00 0.07 0.00 0.00 59.98 59.77 2dlx h ARG 111 Cb 0.45 0.03 0.01 0.00 0.08 0.00 0.00 29.97 30.55 2dlx h ARG 111 CO 0.00 -0.10 -1.43 1.79 -1.07 0.00 0.00 179.97 179.16 2dlx h THR 112 N -0.74 1.10 -0.18 2.04 1.35 -2.00 -3.49 112.91 111.00 2dlx h THR 112 Ca -0.02 -2.49 0.00 0.00 -0.55 0.00 0.00 66.41 63.36 2dlx h THR 112 Cb 0.12 2.84 0.00 0.00 -1.73 0.00 0.00 68.15 69.37 2dlx h THR 112 CO 0.03 0.76 0.00 0.61 -0.25 0.00 0.00 175.52 176.67 2dlx n GLY 113 N 1.77 1.20 3.53 5.82 0.00 0.20 -5.05 105.19 112.65 2dlx n GLY 113 Ca -0.22 -0.29 -0.26 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.96 1.91 -0.25 1.61 -2.07 -1.24 -4.88 119.66 112.77 2dlx s GLN 114 Ca 0.00 -2.16 -0.24 0.00 -1.82 0.00 0.00 55.36 51.14 2dlx s GLN 114 Cb 0.00 -0.74 -0.01 0.00 -1.09 0.00 0.00 33.01 31.18 2dlx s GLN 114 CO 0.00 -0.42 0.79 0.21 -1.32 0.00 0.00 175.29 174.55 2dlx s LYS 115 N -3.75 4.14 -0.16 9.60 2.36 -1.26 -2.04 119.74 128.63 2dlx s LYS 115 Ca 0.24 0.83 -0.24 0.00 -2.55 0.00 0.00 55.97 54.25 2dlx s LYS 115 Cb 0.03 -3.66 -0.22 0.00 -1.05 0.00 0.00 37.83 32.94 2dlx s LYS 115 CO 0.14 -0.52 0.51 -0.07 1.55 0.00 0.00 175.35 176.95 2dlx h LEU 116 N 9.18 0.00 -7.93 5.43 3.38 -1.39 -3.49 115.31 120.49 2dlx h LEU 116 Ca -0.24 -0.75 -0.15 0.00 0.09 0.00 0.00 57.88 56.84 2dlx h LEU 116 Cb 1.10 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 41.65 2dlx h LEU 116 CO 0.86 1.13 -0.60 0.68 0.09 0.00 0.00 178.44 180.59 2dlx s VAL 117 N -2.23 0.12 -0.09 1.22 -7.23 -1.23 -5.01 120.40 105.96 2dlx s VAL 117 Ca -0.21 -1.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.98 2dlx s VAL 117 Cb 0.00 -0.59 0.01 0.00 0.56 0.00 0.00 36.38 36.36 2dlx s VAL 117 CO 0.60 -0.55 -0.14 -1.83 -0.31 0.00 0.00 175.10 172.88 2dlx s GLU 118 N -1.99 1.98 -0.08 4.82 4.04 -1.26 -1.71 118.70 124.49 2dlx s GLU 118 Ca -0.11 -0.49 0.04 0.00 0.04 0.00 0.00 54.97 54.45 2dlx s GLU 118 Cb -0.05 -1.67 0.00 0.00 0.02 0.00 0.00 34.13 32.43 2dlx s GLU 118 CO -0.02 -0.02 -0.20 -1.58 -1.84 0.00 0.00 175.26 171.59 2dlx s TRP 119 N 0.86 2.18 -0.12 4.83 0.51 -0.26 -5.02 118.94 121.93 2dlx s TRP 119 Ca -0.10 -0.83 -0.04 0.00 -2.12 0.00 0.00 56.10 53.01 2dlx s TRP 119 Cb -0.15 -1.48 -0.01 0.00 -0.81 0.00 0.00 33.47 31.02 2dlx s TRP 119 CO 0.01 -0.34 -0.07 0.45 -0.51 0.00 0.00 176.95 176.49 2dlx h HIS 120 N 6.68 0.00 -3.06 -1.98 3.86 -1.90 -3.07 115.15 115.69 2dlx h HIS 120 Ca -0.25 0.00 -0.62 0.00 -1.16 0.00 0.00 60.37 58.34 2dlx h HIS 120 Cb 1.21 0.00 -0.12 0.00 1.06 0.00 0.00 27.41 29.56 2dlx h HIS 120 CO 0.47 0.00 -0.68 1.14 0.86 0.00 0.00 177.93 179.72 2dlx s GLN 121 N -1.83 2.35 0.23 2.45 -2.07 -1.26 -4.59 119.66 114.94 2dlx s GLN 121 Ca -0.06 -1.07 -0.14 0.00 -1.82 0.00 0.00 55.36 52.26 2dlx s GLN 121 Cb 0.01 -2.35 0.00 0.00 -1.09 0.00 0.00 33.01 29.58 2dlx s GLN 121 CO 0.09 0.47 0.49 -0.51 -1.32 0.00 0.00 175.29 174.52 2dlx s LEU 122 N -2.74 0.27 0.27 2.60 1.43 -1.26 -5.01 118.68 114.25 2dlx s LEU 122 Ca 0.26 -0.80 -0.08 0.00 -1.03 0.00 0.00 54.13 52.48 2dlx s LEU 122 Cb -0.10 1.89 -0.01 0.00 0.03 0.00 0.00 46.19 48.01 2dlx s LEU 122 CO 0.17 -1.12 0.44 -1.81 0.23 0.00 0.00 176.35 174.26 2dlx s ASP 123 N -2.97 0.22 0.12 2.29 1.01 -1.26 -4.91 116.67 111.17 2dlx s ASP 123 Ca 0.18 -1.15 -0.20 0.00 0.71 0.00 0.00 52.55 52.09 2dlx s ASP 123 Cb -0.01 0.59 -0.05 0.00 1.01 0.00 0.00 42.92 44.46 2dlx s ASP 123 CO 0.06 -1.16 1.75 0.58 0.21 0.00 0.00 175.17 176.61 2dlx h VAL 124 N 2.26 0.96 0.13 -1.27 2.07 -1.90 0.45 116.25 118.96 2dlx h VAL 124 Ca -0.28 -0.06 -0.22 0.00 0.82 0.00 0.00 66.70 66.96 2dlx h VAL 124 Cb 1.25 0.78 0.01 0.00 -1.52 0.00 0.00 31.29 31.81 2dlx h VAL 124 CO 0.39 0.03 -1.06 -1.28 0.02 0.00 0.00 177.57 175.67 2dlx h SER 125 N 0.16 0.44 0.06 0.57 0.87 -1.97 -3.31 113.55 110.37 2dlx h SER 125 Ca 0.08 -0.91 0.00 0.00 -1.23 0.00 0.00 61.79 59.74 2dlx h SER 125 Cb 0.05 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 61.86 2dlx h SER 125 CO -0.08 1.49 -0.05 -1.28 -0.53 0.00 0.00 176.83 176.37 2dlx h SER 126 N -0.35 -0.14 -0.24 6.23 0.87 -1.94 -2.29 113.55 115.69 2dlx h SER 126 Ca -0.21 0.01 0.03 0.00 -1.23 0.00 0.00 61.79 60.39 2dlx h SER 126 Cb 1.69 0.05 -0.05 0.00 -0.44 0.00 0.00 62.40 63.65 2dlx h SER 126 CO 0.11 -0.09 -0.33 0.15 -0.53 0.00 0.00 176.83 176.15 2dlx h PHE 127 N -0.12 -1.01 -0.55 2.24 3.57 -0.24 -1.46 116.94 119.36 2dlx h PHE 127 Ca 0.00 0.05 0.11 0.00 3.53 0.00 0.00 57.97 61.66 2dlx h PHE 127 Cb 0.12 0.47 -0.11 0.00 2.79 0.00 0.00 35.95 39.22 2dlx h PHE 127 CO -0.10 -0.29 -0.19 -0.07 -2.23 0.00 0.00 178.31 175.43 2dlx h LEU 128 N -0.24 -0.69 -0.67 0.59 3.38 -1.63 0.12 115.31 116.16 2dlx h LEU 128 Ca 0.04 0.18 0.10 0.00 0.09 0.00 0.00 57.88 58.30 2dlx h LEU 128 Cb 0.35 0.41 -0.12 0.00 0.09 0.00 0.00 40.66 41.39 2dlx h LEU 128 CO -0.35 -0.23 -0.41 -0.78 0.09 0.00 0.00 178.44 176.76 2dlx h ASP 129 N -0.06 -1.44 0.52 -0.43 3.58 -0.70 0.26 116.42 118.15 2dlx h ASP 129 Ca 0.26 0.26 -0.03 0.00 0.42 0.00 0.00 57.03 57.94 2dlx h ASP 129 Cb 0.46 0.68 0.01 0.00 1.72 0.00 0.00 39.33 42.20 2dlx h ASP 129 CO -0.60 -0.31 -0.25 1.56 -2.88 0.00 0.00 179.24 176.76 2dlx h GLN 130 N -0.16 -0.67 -0.59 0.28 4.20 -0.42 -2.36 115.11 115.38 2dlx h GLN 130 Ca 0.22 0.05 0.06 0.00 0.06 0.00 0.00 58.65 59.03 2dlx h GLN 130 Cb 0.56 0.15 -0.09 0.00 0.30 0.00 0.00 27.48 28.40 2dlx h GLN 130 CO -0.75 -0.37 -0.51 0.28 -0.67 0.00 0.00 178.83 176.82 2dlx h VAL 131 N -0.96 0.00 -0.79 -0.54 2.07 -0.23 0.11 116.25 115.90 2dlx h VAL 131 Ca -0.07 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.59 2dlx h VAL 131 Cb 0.62 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.29 2dlx h VAL 131 CO 0.12 0.00 0.35 0.71 0.02 0.00 0.00 177.57 178.77 2dlx h THR 132 N -0.20 0.68 -0.91 2.57 1.35 -0.56 -0.67 112.91 115.16 2dlx h THR 132 Ca 0.10 -0.17 0.13 0.00 -0.55 0.00 0.00 66.41 65.92 2dlx h THR 132 Cb 0.46 0.13 -0.09 0.00 -1.73 0.00 0.00 68.15 66.92 2dlx h THR 132 CO -0.66 0.09 0.53 1.23 -0.25 0.00 0.00 175.52 176.46 2dlx h GLY 133 N 0.51 1.49 0.95 5.82 0.00 -0.25 -0.70 103.07 110.88 2dlx h GLY 133 Ca 0.43 -0.33 -0.04 0.00 0.00 0.00 0.00 47.33 47.39 2dlx h GLY 133 CO -0.39 0.06 -0.41 -2.75 0.00 0.00 0.00 176.54 173.05 2dlx h PHE 134 N 0.80 -1.05 -0.79 5.60 3.57 -0.22 -2.45 116.94 122.39 2dlx h PHE 134 Ca 0.47 -0.02 0.14 0.00 3.53 0.00 0.00 57.97 62.09 2dlx h PHE 134 Cb 0.56 0.35 -0.09 0.00 2.79 0.00 0.00 35.95 39.56 2dlx h PHE 134 CO -0.05 -0.65 0.36 -0.07 -2.23 0.00 0.00 178.31 175.68 2dlx h LEU 135 N -1.20 0.39 -1.35 0.59 3.38 -1.27 0.32 115.31 116.17 2dlx h LEU 135 Ca -0.12 0.10 0.08 0.00 0.09 0.00 0.00 57.88 58.03 2dlx h LEU 135 Cb 0.88 0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.63 2dlx h LEU 135 CO 0.19 0.16 0.50 1.23 0.09 0.00 0.00 178.44 180.61 2dlx h GLY 136 N 0.52 1.02 0.00 0.83 0.00 -1.01 0.41 103.07 104.84 2dlx h GLY 136 Ca 0.43 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.45 2dlx h GLY 136 CO -0.38 0.21 -0.17 -2.09 0.00 0.00 0.00 176.54 174.11 2dlx h GLU 137 N 0.77 0.00 0.13 4.80 4.81 -0.48 -3.43 114.58 121.17 2dlx h GLU 137 Ca 0.34 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.57 2dlx h GLU 137 Cb 0.33 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.71 2dlx h GLU 137 CO -0.12 0.00 -0.06 0.45 -0.73 0.00 0.00 179.01 178.55 2dlx h HIS 138 N -0.81 -0.16 0.00 0.92 3.86 -0.49 -3.51 115.15 114.97 2dlx h HIS 138 Ca 0.00 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2dlx h HIS 138 Cb 0.17 0.05 0.00 0.00 1.06 0.00 0.00 27.41 28.69 2dlx h HIS 138 CO -0.07 -0.10 0.00 0.41 0.86 0.00 0.00 177.93 179.03 2dlx n GLY 139 N 1.04 0.24 3.96 2.45 0.00 0.14 -5.00 105.19 108.03 2dlx n GLY 139 Ca -0.02 -1.89 -0.22 0.00 0.00 0.00 0.00 46.02 43.90 2dlx n GLY 139 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2dlx s GLN 140 N 0.00 2.39 -0.12 1.61 -1.52 -1.26 -4.72 119.66 116.03 2dlx s GLN 140 Ca 0.00 -1.70 -0.08 0.00 -1.95 0.00 0.00 55.36 51.63 2dlx s GLN 140 Cb 0.00 -2.44 -0.07 0.00 -0.22 0.00 0.00 33.01 30.28 2dlx s GLN 140 CO 0.00 -0.61 0.12 -0.07 -0.25 0.00 0.00 175.29 174.48 2dlx h LEU 141 N 0.55 0.00 -1.62 2.90 4.07 -1.96 -3.48 115.31 115.76 2dlx h LEU 141 Ca -0.35 -0.22 -0.46 0.00 0.08 0.00 0.00 57.88 56.94 2dlx h LEU 141 Cb 1.29 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 43.03 2dlx h LEU 141 CO 0.49 0.70 -0.83 0.47 -1.08 0.00 0.00 178.44 178.20 2dlx n ASP 142 N -4.70 -1.75 -3.11 -0.43 8.00 -1.26 -4.98 116.55 108.34 2dlx n ASP 142 Ca -0.05 -0.87 0.00 0.00 0.71 0.00 0.00 54.79 54.58 2dlx n ASP 142 Cb 0.18 -3.71 0.00 0.00 -0.02 0.00 0.00 41.12 37.57 2dlx n ASP 142 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2dlx n GLY 143 N -1.69 -0.45 3.62 0.44 0.00 -1.26 -4.95 105.19 100.89 2dlx n GLY 143 Ca -0.22 -1.53 -0.42 0.00 0.00 0.00 0.00 46.02 43.85 2dlx n GLY 143 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2dlx n LEU 144 N 0.00 2.52 -3.64 0.99 -0.00 -1.26 -4.99 117.00 110.62 2dlx n LEU 144 Ca 0.00 1.10 -0.27 0.00 -0.00 0.00 0.00 56.01 56.83 2dlx n LEU 144 Cb 0.00 -1.35 -0.16 0.00 -0.00 0.00 0.00 43.42 41.90 2dlx n LEU 144 CO 0.00 -1.32 -0.34 -0.44 -0.00 0.00 0.00 177.39 175.29 2dlx s SER 145 N -0.63 2.79 -0.01 1.45 0.01 -1.26 -4.99 113.70 111.06 2dlx s SER 145 Ca 0.61 -0.84 -0.23 0.00 1.31 0.00 0.00 55.95 56.79 2dlx s SER 145 Cb -0.59 -0.39 -0.16 0.00 0.21 0.00 0.00 66.02 65.09 2dlx s SER 145 CO 0.58 -0.36 1.08 0.77 0.41 0.00 0.00 173.24 175.73 2dlx h SER 146 N 8.35 -0.33 -4.36 2.44 4.64 -1.98 -3.45 113.55 118.87 2dlx h SER 146 Ca -0.16 -0.20 -0.60 0.00 -0.47 0.00 0.00 61.79 60.36 2dlx h SER 146 Cb 1.11 0.09 -0.28 0.00 -0.31 0.00 0.00 62.40 63.01 2dlx h SER 146 CO 0.34 0.09 -0.85 -0.94 -0.87 0.00 0.00 176.83 174.60 2dlx s SER 147 N -5.15 2.48 -0.34 4.97 1.04 -1.26 -5.12 113.70 110.32 2dlx s SER 147 Ca -0.13 -0.45 -0.13 0.00 0.48 0.00 0.00 55.95 55.71 2dlx s SER 147 Cb 0.02 -0.24 -0.01 0.00 0.10 0.00 0.00 66.02 65.88 2dlx s SER 147 CO 0.50 0.21 0.26 -0.55 0.98 0.00 0.00 173.24 174.63 2dlx s SER 148 N -0.84 6.08 0.00 7.02 0.15 -1.26 -5.06 113.70 119.79 2dlx s SER 148 Ca 0.08 -0.43 0.00 0.00 0.70 0.00 0.00 55.95 56.30 2dlx s SER 148 Cb -0.08 -2.15 0.00 0.00 -1.71 0.00 0.00 66.02 62.08 2dlx s SER 148 CO 0.01 -0.26 0.00 0.61 1.20 0.00 0.00 173.24 174.80 2dlx n GLY 149 N 5.10 3.96 3.69 9.45 0.00 -1.26 -5.07 105.19 121.06 2dlx n GLY 149 Ca -0.12 -1.91 -0.42 0.00 0.00 0.00 0.00 46.02 43.57 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 2.67 4.28 -0.12 1.61 0.04 -1.26 -4.95 135.00 137.27 2dlx s PRO 150 Ca 0.00 2.03 -0.06 0.00 0.04 0.00 0.00 61.00 63.00 2dlx s PRO 150 Cb 0.00 -3.50 -0.04 0.00 0.04 0.00 0.00 34.50 30.99 2dlx s PRO 150 CO 0.00 -0.56 0.03 1.03 0.04 0.00 0.00 177.00 177.54 2dlx h SER 151 N 7.66 0.00 -3.81 6.66 0.87 -2.04 -3.47 113.55 119.42 2dlx h SER 151 Ca -0.39 -0.12 -0.45 0.00 -1.23 0.00 0.00 61.79 59.60 2dlx h SER 151 Cb 1.19 0.00 0.16 0.00 -0.44 0.00 0.00 62.40 63.31 2dlx h SER 151 CO 0.90 0.67 0.18 -0.44 -0.53 0.00 0.00 176.83 177.60 2dlx s SER 152 N -5.73 2.36 0.00 6.23 0.01 -1.26 -5.28 113.70 110.04 2dlx s SER 152 Ca -0.07 1.14 0.05 0.00 1.31 0.00 0.00 55.95 58.38 2dlx s SER 152 Cb 0.01 -1.80 0.04 0.00 0.21 0.00 0.00 66.02 64.48 2dlx s SER 152 CO 0.15 -3.29 0.66 0.61 0.41 0.00 0.00 173.24 171.78