#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dlx h SER 2 N 0.00 -0.53 -4.69 1.61 0.02 -2.14 -3.46 113.55 104.35 2dlx h SER 2 Ca 0.00 0.06 -0.29 0.00 -0.84 0.00 0.00 61.79 60.72 2dlx h SER 2 Cb 0.00 0.20 0.11 0.00 0.14 0.00 0.00 62.40 62.85 2dlx h SER 2 CO 0.00 -0.27 -0.53 -0.24 -1.14 0.00 0.00 176.83 174.64 2dlx n SER 3 N -5.32 -4.42 -4.50 3.07 2.88 -1.26 -5.02 113.62 99.06 2dlx n SER 3 Ca -0.07 -0.42 -0.32 0.00 -1.33 0.00 0.00 58.87 56.73 2dlx n SER 3 Cb 0.23 -3.95 -0.12 0.00 -0.75 0.00 0.00 64.21 59.62 2dlx n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dlx s GLY 4 N -3.46 1.61 0.21 0.46 0.00 -1.26 -5.12 107.32 99.77 2dlx s GLY 4 Ca 0.32 -1.09 -0.23 0.00 0.00 0.00 0.00 44.72 43.72 2dlx s GLY 4 CO 0.55 -0.95 0.74 -0.56 0.00 0.00 0.00 173.10 172.88 2dlx s SER 5 N -1.26 -0.33 0.36 1.64 0.01 -1.26 -5.19 113.70 107.67 2dlx s SER 5 Ca 0.15 -0.40 -0.13 0.00 1.31 0.00 0.00 55.95 56.88 2dlx s SER 5 Cb -0.11 0.64 0.04 0.00 0.21 0.00 0.00 66.02 66.80 2dlx s SER 5 CO 0.05 -1.14 0.70 -0.55 0.41 0.00 0.00 173.24 172.71 2dlx s SER 6 N -2.86 0.19 0.00 2.44 0.15 -1.26 -5.16 113.70 107.20 2dlx s SER 6 Ca 0.08 -1.18 0.00 0.00 0.70 0.00 0.00 55.95 55.56 2dlx s SER 6 Cb -0.04 0.79 0.00 0.00 -1.71 0.00 0.00 66.02 65.06 2dlx s SER 6 CO 0.01 -1.56 0.00 0.61 1.20 0.00 0.00 173.24 173.50 2dlx n GLY 7 N -0.53 3.62 2.85 9.45 0.00 -1.26 -5.13 105.19 114.18 2dlx n GLY 7 Ca -0.06 -0.72 -0.26 0.00 0.00 0.00 0.00 46.02 44.98 2dlx n GLY 7 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2dlx s ILE 8 N 0.00 0.82 -0.26 -0.61 2.07 -1.26 -5.11 121.20 116.85 2dlx s ILE 8 Ca 0.00 -0.28 -0.13 0.00 -1.41 0.00 0.00 60.65 58.83 2dlx s ILE 8 Cb 0.00 -0.96 0.08 0.00 0.13 0.00 0.00 42.46 41.72 2dlx s ILE 8 CO 0.00 0.23 0.61 -1.81 -1.91 0.00 0.00 174.94 172.06 2dlx s ASP 9 N 1.78 -0.85 -0.26 4.50 1.01 -1.26 -5.13 116.67 116.46 2dlx s ASP 9 Ca 0.03 1.37 -0.04 0.00 0.71 0.00 0.00 52.55 54.63 2dlx s ASP 9 Cb -0.14 1.39 0.09 0.00 1.01 0.00 0.00 42.92 45.28 2dlx s ASP 9 CO -0.07 -0.23 0.14 -0.54 0.21 0.00 0.00 175.17 174.68 2dlx s LYS 10 N 1.81 0.17 -0.25 8.23 -0.14 -1.26 -5.11 119.74 123.19 2dlx s LYS 10 Ca -0.09 -0.33 -0.14 0.00 -1.36 0.00 0.00 55.97 54.05 2dlx s LYS 10 Cb -0.07 -1.27 0.08 0.00 -1.68 0.00 0.00 37.83 34.89 2dlx s LYS 10 CO -0.18 -0.91 0.61 -1.59 -0.76 0.00 0.00 175.35 172.52 2dlx s LYS 11 N 2.15 0.61 0.14 1.68 -2.85 -1.26 -5.17 119.74 115.04 2dlx s LYS 11 Ca 0.07 1.14 -0.13 0.00 -1.00 0.00 0.00 55.97 56.06 2dlx s LYS 11 Cb -0.16 0.18 0.01 0.00 -2.06 0.00 0.00 37.83 35.81 2dlx s LYS 11 CO -0.28 -0.16 0.34 -0.51 0.10 0.00 0.00 175.35 174.84 2dlx s LEU 12 N 1.74 0.73 -0.27 2.77 1.43 -1.26 -5.16 118.68 118.66 2dlx s LEU 12 Ca -0.09 -0.58 -0.08 0.00 -1.03 0.00 0.00 54.13 52.34 2dlx s LEU 12 Cb -0.07 1.53 0.13 0.00 0.03 0.00 0.00 46.19 47.81 2dlx s LEU 12 CO -0.18 -0.88 0.58 0.28 0.23 0.00 0.00 176.35 176.38 2dlx s THR 13 N -3.88 -0.90 -0.09 5.49 -1.32 -1.26 -5.16 115.64 108.52 2dlx s THR 13 Ca 0.09 0.04 -0.30 0.00 -1.21 0.00 0.00 61.69 60.30 2dlx s THR 13 Cb 0.02 -0.91 0.10 0.00 -1.51 0.00 0.00 72.50 70.21 2dlx s THR 13 CO -0.07 0.01 0.84 0.28 -2.21 0.00 0.00 174.62 173.47 2dlx s THR 14 N 2.81 0.00 -0.04 5.08 -1.32 -1.26 -5.17 115.64 115.75 2dlx s THR 14 Ca -0.02 0.00 0.02 0.00 -1.21 0.00 0.00 61.69 60.48 2dlx s THR 14 Cb -0.12 -1.00 0.01 0.00 -1.51 0.00 0.00 72.50 69.88 2dlx s THR 14 CO -0.17 0.00 -0.08 -1.48 -2.21 0.00 0.00 174.62 170.68 2dlx s LEU 15 N -1.24 1.62 0.10 9.08 2.34 -1.26 -5.14 118.68 124.18 2dlx s LEU 15 Ca -0.06 -0.17 -0.26 0.00 0.06 0.00 0.00 54.13 53.70 2dlx s LEU 15 Cb -0.00 -0.53 0.08 0.00 -0.56 0.00 0.00 46.19 45.18 2dlx s LEU 15 CO 0.05 0.02 0.96 0.00 -1.06 0.00 0.00 176.35 176.31 2dlx s ALA 16 N 0.49 -1.73 0.65 1.48 0.00 -1.26 -5.15 121.76 116.23 2dlx s ALA 16 Ca -0.07 0.41 -0.17 0.00 0.00 0.00 0.00 51.96 52.12 2dlx s ALA 16 Cb -0.11 0.56 -0.05 0.00 0.00 0.00 0.00 23.12 23.52 2dlx s ALA 16 CO 0.01 -0.94 0.67 -0.25 0.00 0.00 0.00 175.76 175.25 2dlx n ASP 17 N -0.41 -0.53 -4.68 0.00 8.00 -1.26 -4.87 116.55 112.80 2dlx n ASP 17 Ca -0.07 0.69 -0.42 0.00 0.71 0.00 0.00 54.79 55.70 2dlx n ASP 17 Cb 0.61 -1.26 -0.03 0.00 -0.02 0.00 0.00 41.12 40.42 2dlx n ASP 17 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2dlx s LEU 18 N -0.68 4.31 -0.03 0.64 2.01 -1.26 -4.94 118.68 118.73 2dlx s LEU 18 Ca 0.70 2.10 -0.22 0.00 0.01 0.00 0.00 54.13 56.72 2dlx s LEU 18 Cb -0.39 -3.55 -0.15 0.00 0.01 0.00 0.00 46.19 42.10 2dlx s LEU 18 CO 0.53 -0.76 0.95 -0.26 1.01 0.00 0.00 176.35 177.83 2dlx h PHE 19 N 8.11 -0.30 -4.20 0.29 -1.00 -2.07 -3.45 116.94 114.32 2dlx h PHE 19 Ca -0.37 -0.01 -0.53 0.00 2.81 0.00 0.00 57.97 59.88 2dlx h PHE 19 Cb 1.17 0.10 0.15 0.00 3.61 0.00 0.00 35.95 40.98 2dlx h PHE 19 CO 0.77 0.08 0.37 1.03 -1.61 0.00 0.00 178.31 178.95 2dlx s ARG 20 N -3.79 2.16 0.96 1.51 0.52 -1.26 -5.01 118.95 114.04 2dlx s ARG 20 Ca -0.13 1.64 -0.12 0.00 -0.52 0.00 0.00 55.73 56.60 2dlx s ARG 20 Cb 0.01 -1.85 0.17 0.00 0.52 0.00 0.00 34.95 33.80 2dlx s ARG 20 CO 0.47 -1.79 1.09 -1.25 0.02 0.00 0.00 175.30 173.84 2dlx s PRO 21 N -4.06 0.72 -0.88 3.54 0.04 -1.26 -4.90 135.00 128.19 2dlx s PRO 21 Ca 0.72 0.63 -0.25 0.00 0.04 0.00 0.00 61.00 62.14 2dlx s PRO 21 Cb -0.26 -1.76 -0.04 0.00 0.04 0.00 0.00 34.50 32.47 2dlx s PRO 21 CO 0.46 -2.56 1.94 -1.25 0.04 0.00 0.00 177.00 175.63 2dlx s PRO 22 N -4.95 2.57 -0.01 0.56 0.04 -1.26 -4.78 135.00 127.16 2dlx s PRO 22 Ca 0.65 -0.23 0.01 0.00 0.04 0.00 0.00 61.00 61.47 2dlx s PRO 22 Cb -0.18 -5.02 0.06 0.00 0.04 0.00 0.00 34.50 29.40 2dlx s PRO 22 CO 0.57 -3.33 0.78 0.44 0.04 0.00 0.00 177.00 175.50 2dlx n ILE 23 N 7.83 0.18 -0.18 0.56 -6.64 -1.26 -4.23 119.36 115.61 2dlx n ILE 23 Ca 0.39 -0.11 -0.01 0.00 -1.77 0.00 0.00 62.75 61.25 2dlx n ILE 23 Cb 0.47 -0.28 0.06 0.00 -1.44 0.00 0.00 39.64 38.46 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 0.35 -0.38 0.26 7.28 5.19 -2.03 -3.07 116.42 124.02 2dlx h ASP 24 Ca 0.00 0.15 -0.01 0.00 -0.62 0.00 0.00 57.03 56.55 2dlx h ASP 24 Cb 0.42 0.29 0.00 0.00 0.18 0.00 0.00 39.33 40.22 2dlx h ASP 24 CO 0.03 -0.14 -0.13 -0.07 -3.12 0.00 0.00 179.24 175.81 2dlx h LEU 25 N 0.05 -0.30 -8.91 1.55 3.38 -1.98 -3.44 115.31 105.67 2dlx h LEU 25 Ca 0.27 0.01 -0.66 0.00 0.09 0.00 0.00 57.88 57.59 2dlx h LEU 25 Cb 0.42 0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2dlx h LEU 25 CO -0.52 0.10 1.24 0.23 0.09 0.00 0.00 178.44 179.58 2dlx n MET 26 N -4.67 1.50 -4.20 1.13 2.81 -1.16 -4.62 117.12 107.90 2dlx n MET 26 Ca -0.04 0.49 -0.35 0.00 -1.81 0.00 0.00 57.70 55.98 2dlx n MET 26 Cb 0.14 -2.51 -0.09 0.00 -0.71 0.00 0.00 33.22 30.04 2dlx n MET 26 CO 0.00 0.00 0.00 -1.58 1.51 0.00 0.00 175.97 175.90 2dlx s HIS 27 N 5.74 3.25 -0.04 2.03 2.46 -1.26 -4.85 115.29 122.62 2dlx s HIS 27 Ca 1.02 0.19 -0.02 0.00 0.47 0.00 0.00 55.06 56.72 2dlx s HIS 27 Cb -0.81 -1.89 -0.04 0.00 -0.13 0.00 0.00 32.58 29.71 2dlx s HIS 27 CO 0.52 0.41 0.08 0.21 -2.47 0.00 0.00 174.74 173.48 2dlx s LYS 28 N -0.53 3.11 0.00 2.88 2.36 -1.26 -4.95 119.74 121.35 2dlx s LYS 28 Ca 0.10 -0.42 0.00 0.00 -2.55 0.00 0.00 55.97 53.10 2dlx s LYS 28 Cb -0.12 -2.90 0.00 0.00 -1.05 0.00 0.00 37.83 33.76 2dlx s LYS 28 CO 0.02 0.68 0.00 0.41 1.55 0.00 0.00 175.35 178.01 2dlx n GLY 29 N 1.46 4.12 3.74 5.54 0.00 -1.26 -5.01 105.19 113.78 2dlx n GLY 29 Ca -0.15 -1.51 -0.38 0.00 0.00 0.00 0.00 46.02 43.99 2dlx n GLY 29 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dlx s SER 30 N 0.00 5.05 0.24 1.61 0.15 -1.26 -4.82 113.70 114.67 2dlx s SER 30 Ca 0.00 2.73 -0.14 0.00 0.70 0.00 0.00 55.95 59.24 2dlx s SER 30 Cb 0.00 -2.63 0.30 0.00 -1.71 0.00 0.00 66.02 61.98 2dlx s SER 30 CO 0.00 -1.72 1.57 2.19 1.20 0.00 0.00 173.24 176.49 2dlx h PHE 31 N 1.17 -0.75 -1.23 3.44 -0.00 -1.98 0.79 116.94 118.36 2dlx h PHE 31 Ca -0.51 0.09 0.39 0.00 -0.00 0.00 0.00 57.97 57.94 2dlx h PHE 31 Cb 1.31 0.46 -0.12 0.00 -0.00 0.00 0.00 35.95 37.60 2dlx h PHE 31 CO 0.44 -0.39 0.79 1.05 -0.00 0.00 0.00 178.31 180.20 2dlx h GLU 32 N -0.03 0.15 0.30 6.09 4.11 -2.02 0.20 114.58 123.38 2dlx h GLU 32 Ca 0.37 -0.01 -0.01 0.00 0.07 0.00 0.00 59.36 59.77 2dlx h GLU 32 Cb 0.62 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.84 2dlx h GLU 32 CO -0.90 0.10 -0.14 1.15 0.07 0.00 0.00 179.01 179.29 2dlx h THR 33 N 0.16 0.72 -0.92 -1.06 2.02 0.28 -2.82 112.91 111.29 2dlx h THR 33 Ca 0.77 -0.13 0.16 0.00 0.77 0.00 0.00 66.41 67.98 2dlx h THR 33 Cb 2.29 0.80 -0.16 0.00 -1.74 0.00 0.00 68.15 69.34 2dlx h THR 33 CO -0.41 0.03 -0.31 0.00 0.37 0.00 0.00 175.52 175.20 2dlx n ALA 34 N -2.30 0.02 0.12 6.16 0.00 0.69 -0.00 120.51 125.21 2dlx n ALA 34 Ca -0.10 0.95 -0.13 0.00 0.00 0.00 0.00 53.44 54.16 2dlx n ALA 34 Cb 0.20 -0.49 -0.07 0.00 0.00 0.00 0.00 19.45 19.09 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 -0.28 -0.68 0.00 1.57 -1.53 -1.27 116.57 114.38 2dlx h LYS 35 Ca 0.37 0.02 0.11 0.00 -1.87 0.00 0.00 60.65 59.28 2dlx h LYS 35 Cb 0.60 0.06 -0.08 0.00 0.08 0.00 0.00 32.23 32.89 2dlx h LYS 35 CO -0.93 -0.19 0.26 0.93 -0.57 0.00 0.00 179.45 178.96 2dlx h GLU 36 N -0.29 0.42 -0.33 3.15 4.39 -0.18 -1.66 114.58 120.08 2dlx h GLU 36 Ca -0.01 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.66 2dlx h GLU 36 Cb 0.26 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.79 2dlx h GLU 36 CO -0.00 0.28 0.20 0.00 -1.16 0.00 0.00 179.01 178.33 2dlx h GLY 38 N 0.43 1.83 0.19 0.00 0.00 -0.24 0.45 103.07 105.73 2dlx h GLY 38 Ca 0.12 -0.11 -0.01 0.00 0.00 0.00 0.00 47.33 47.33 2dlx h GLY 38 CO -0.02 -0.54 -0.09 1.46 0.00 0.00 0.00 176.54 177.35 2dlx h GLN 39 N 0.18 -0.25 -0.20 4.80 4.20 -1.42 0.70 115.11 123.12 2dlx h GLN 39 Ca 0.70 0.02 0.04 0.00 0.06 0.00 0.00 58.65 59.47 2dlx h GLN 39 Cb 1.61 0.06 -0.07 0.00 0.30 0.00 0.00 27.48 29.37 2dlx h GLN 39 CO -0.70 -0.16 -0.49 0.52 -0.67 0.00 0.00 178.83 177.32 2dlx h MET 40 N -0.43 -0.49 0.00 1.46 2.86 -1.27 0.54 114.93 117.60 2dlx h MET 40 Ca -0.03 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 2dlx h MET 40 Cb 0.20 0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.97 2dlx h MET 40 CO 0.04 -0.33 0.00 1.04 1.06 0.00 0.00 176.91 178.73 2dlx n GLN 41 N -5.43 0.17 -3.88 1.72 1.13 0.15 -4.85 117.38 106.39 2dlx n GLN 41 Ca -0.04 0.18 -0.26 0.00 -1.94 0.00 0.00 57.00 54.93 2dlx n GLN 41 Cb 0.37 -1.50 0.01 0.00 0.11 0.00 0.00 30.24 29.23 2dlx n GLN 41 CO 0.00 0.00 0.00 0.27 -1.44 0.00 0.00 177.06 175.89 2dlx n ASN 42 N -1.29 -2.24 -4.00 1.08 6.94 0.19 -4.98 115.26 110.95 2dlx n ASN 42 Ca 0.06 -0.87 -0.20 0.00 -0.02 0.00 0.00 54.58 53.54 2dlx n ASN 42 Cb 0.10 -3.64 -0.15 0.00 -2.36 0.00 0.00 39.78 33.72 2dlx n ASN 42 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 2dlx s LYS 43 N -6.40 0.94 1.18 -3.83 1.02 0.22 -4.45 119.74 108.43 2dlx s LYS 43 Ca 0.27 -0.31 -0.17 0.00 0.02 0.00 0.00 55.97 55.78 2dlx s LYS 43 Cb -0.14 -0.88 0.21 0.00 -0.52 0.00 0.00 37.83 36.51 2dlx s LYS 43 CO 0.85 0.12 0.45 0.91 -0.92 0.00 0.00 175.35 176.76 2dlx n TRP 44 N 3.24 -1.86 -5.20 3.18 7.02 -0.53 -4.14 117.44 119.14 2dlx n TRP 44 Ca -0.18 -0.11 -0.32 0.00 -1.02 0.00 0.00 57.50 55.87 2dlx n TRP 44 Cb 0.55 -1.54 -0.17 0.00 -2.42 0.00 0.00 31.31 27.73 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 -3.78 2.13 -0.08 -0.99 2.96 -1.24 -1.03 118.68 116.65 2dlx s LEU 45 Ca 0.59 -0.52 0.01 0.00 -0.22 0.00 0.00 54.13 53.99 2dlx s LEU 45 Cb -0.15 -1.41 0.02 0.00 0.50 0.00 0.00 46.19 45.15 2dlx s LEU 45 CO 0.61 0.20 -0.08 -0.32 -1.32 0.00 0.00 176.35 175.44 2dlx s MET 46 N 0.10 1.39 0.11 1.98 -2.45 -1.23 -2.76 119.30 116.44 2dlx s MET 46 Ca -0.11 -0.25 0.09 0.00 -1.25 0.00 0.00 55.69 54.17 2dlx s MET 46 Cb -0.16 -1.36 -0.04 0.00 1.25 0.00 0.00 34.83 34.52 2dlx s MET 46 CO 0.06 -0.15 -0.19 0.42 1.05 0.00 0.00 175.02 176.21 2dlx s ILE 47 N 1.29 2.75 -0.11 10.11 1.01 -1.25 -2.89 121.20 132.12 2dlx s ILE 47 Ca -0.03 -1.49 -0.05 0.00 0.00 0.00 0.00 60.65 59.08 2dlx s ILE 47 Cb -0.14 -2.24 0.05 0.00 0.01 0.00 0.00 42.46 40.14 2dlx s ILE 47 CO -0.03 0.14 0.25 0.21 0.00 0.00 0.00 174.94 175.51 2dlx s ASN 48 N -2.01 -0.08 -0.45 3.58 3.04 -1.13 -4.10 114.94 113.78 2dlx s ASN 48 Ca 0.17 0.54 -0.17 0.00 0.04 0.00 0.00 52.86 53.44 2dlx s ASN 48 Cb -0.10 0.48 0.04 0.00 -1.54 0.00 0.00 41.25 40.13 2dlx s ASN 48 CO 0.09 -0.19 0.43 -0.63 -3.04 0.00 0.00 177.10 173.76 2dlx s ILE 49 N 1.59 5.13 0.11 -5.21 -1.09 -1.26 -3.46 121.20 117.00 2dlx s ILE 49 Ca -0.06 -0.63 -0.30 0.00 -2.23 0.00 0.00 60.65 57.42 2dlx s ILE 49 Cb -0.11 -4.09 -0.06 0.00 -1.58 0.00 0.00 42.46 36.62 2dlx s ILE 49 CO -0.08 -0.51 1.17 0.00 -1.23 0.00 0.00 174.94 174.29 2dlx s GLN 50 N 1.99 4.48 -0.31 2.79 -2.07 -1.26 -4.69 119.66 120.59 2dlx s GLN 50 Ca 0.09 1.77 -0.14 0.00 -1.82 0.00 0.00 55.36 55.25 2dlx s GLN 50 Cb -0.20 -3.32 -0.02 0.00 -1.09 0.00 0.00 33.01 28.38 2dlx s GLN 50 CO 0.11 -0.15 0.33 -0.80 -1.32 0.00 0.00 175.29 173.45 2dlx s ASN 51 N 0.64 6.16 0.08 12.60 0.01 -1.26 -4.03 114.94 129.14 2dlx s ASN 51 Ca 0.55 -0.09 -0.03 0.00 -0.71 0.00 0.00 52.86 52.58 2dlx s ASN 51 Cb -0.30 -2.18 -0.27 0.00 0.41 0.00 0.00 41.25 38.91 2dlx s ASN 51 CO 0.32 -0.25 1.16 -0.37 -1.51 0.00 0.00 177.10 176.45 2dlx h VAL 52 N 5.47 1.52 0.03 1.60 -1.51 -2.01 -3.37 116.25 117.98 2dlx h VAL 52 Ca -0.31 -3.09 -0.00 0.00 -1.23 0.00 0.00 66.70 62.07 2dlx h VAL 52 Cb 1.16 2.93 0.00 0.00 -2.13 0.00 0.00 31.29 33.25 2dlx h VAL 52 CO 0.65 0.90 -0.02 1.56 -1.23 0.00 0.00 177.57 179.44 2dlx h GLN 53 N 0.07 -0.04 -7.19 5.19 7.50 -2.04 -3.46 115.11 115.13 2dlx h GLN 53 Ca -0.12 0.00 -0.54 0.00 0.50 0.00 0.00 58.65 58.49 2dlx h GLN 53 Cb 1.95 0.01 0.17 0.00 0.05 0.00 0.00 27.48 29.66 2dlx h GLN 53 CO 0.20 0.26 0.37 -0.51 -1.50 0.00 0.00 178.83 177.65 2dlx s ASP 54 N -5.69 3.88 -0.20 1.46 1.01 -1.26 -4.97 116.67 110.90 2dlx s ASP 54 Ca -0.06 2.38 0.02 0.00 0.71 0.00 0.00 52.55 55.59 2dlx s ASP 54 Cb -0.01 -2.59 -0.21 0.00 1.01 0.00 0.00 42.92 41.12 2dlx s ASP 54 CO 0.23 -2.48 0.04 2.22 0.21 0.00 0.00 175.17 175.40 2dlx n PHE 55 N -3.00 0.45 -0.26 4.23 -1.74 -1.26 -4.49 117.46 111.39 2dlx n PHE 55 Ca 0.14 0.10 -0.03 0.00 -0.56 0.00 0.00 57.45 57.10 2dlx n PHE 55 Cb 0.50 -1.06 -0.00 0.00 1.52 0.00 0.00 39.48 40.44 2dlx n PHE 55 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2dlx n ALA 56 N -3.08 -0.19 -0.28 1.98 0.00 -1.26 0.91 120.51 118.58 2dlx n ALA 56 Ca -0.38 0.63 -0.03 0.00 0.00 0.00 0.00 53.44 53.65 2dlx n ALA 56 Cb 1.03 -0.23 0.03 0.00 0.00 0.00 0.00 19.45 20.28 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 -0.08 -0.16 -1.00 0.00 1.08 0.27 -0.78 115.11 114.45 2dlx h GLN 58 Ca 0.29 0.01 0.36 0.00 -1.45 0.00 0.00 58.65 57.86 2dlx h GLN 58 Cb 0.58 0.04 -0.18 0.00 -0.05 0.00 0.00 27.48 27.86 2dlx h GLN 58 CO -0.82 -0.10 0.31 0.00 -0.95 0.00 0.00 178.83 177.27 2dlx h LEU 60 N 0.00 -1.03 -1.77 0.00 3.38 -0.48 -2.35 115.31 113.06 2dlx h LEU 60 Ca 0.74 0.04 0.08 0.00 0.09 0.00 0.00 57.88 58.83 2dlx h LEU 60 Cb 1.81 0.27 -0.01 0.00 0.09 0.00 0.00 40.66 42.82 2dlx h LEU 60 CO -0.84 -0.72 0.50 -1.13 0.09 0.00 0.00 178.44 176.34 2dlx h ASN 61 N -1.26 0.00 -0.52 -0.43 -1.24 0.57 0.14 115.58 112.85 2dlx h ASN 61 Ca -0.12 0.00 0.05 0.00 0.71 0.00 0.00 56.30 56.94 2dlx h ASN 61 Cb 0.93 0.00 -0.08 0.00 0.73 0.00 0.00 38.32 39.91 2dlx h ASN 61 CO 0.20 0.00 -0.47 -0.09 -1.29 0.00 0.00 177.43 175.79 2dlx h ARG 62 N 0.00 -0.19 0.00 6.67 9.65 -0.62 -3.13 114.38 126.75 2dlx h ARG 62 Ca 0.13 0.01 -0.04 0.00 -1.10 0.00 0.00 59.98 58.98 2dlx h ARG 62 Cb 1.13 0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 29.75 2dlx h ARG 62 CO -0.00 -0.13 -1.14 -0.25 2.80 0.00 0.00 179.97 181.25 2dlx n ASP 63 N -4.87 4.17 0.03 -3.80 8.00 -0.98 -4.41 116.55 114.70 2dlx n ASP 63 Ca -0.01 -0.01 -0.03 0.00 0.71 0.00 0.00 54.79 55.45 2dlx n ASP 63 Cb 0.25 0.27 -0.02 0.00 -0.02 0.00 0.00 41.12 41.61 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 -0.07 2.53 2.07 -0.89 -0.88 116.25 119.02 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 1.11 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 -2.90 0.19 -0.06 1.57 5.03 -1.23 -3.24 117.44 116.81 2dlx n TRP 65 Ca -0.02 -0.07 -0.04 0.00 3.03 0.00 0.00 57.50 60.40 2dlx n TRP 65 Cb 0.08 -0.10 -0.11 0.00 -1.03 0.00 0.00 31.31 30.14 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 -0.03 1.55 -4.71 -0.99 2.88 -0.74 -4.97 113.62 106.62 2dlx n SER 66 Ca 0.03 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.15 2dlx n SER 66 Cb 0.27 1.01 -0.03 0.00 -0.75 0.00 0.00 64.21 64.71 2dlx n SER 66 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 2dlx s ASN 67 N -4.52 6.67 0.35 -3.46 0.01 -0.41 -4.90 114.94 108.68 2dlx s ASN 67 Ca -0.07 2.46 0.08 0.00 -0.71 0.00 0.00 52.86 54.62 2dlx s ASN 67 Cb 0.05 -2.58 0.65 0.00 0.41 0.00 0.00 41.25 39.78 2dlx s ASN 67 CO 0.58 -0.79 1.83 1.05 -1.51 0.00 0.00 177.10 178.25 2dlx h GLU 68 N 7.39 0.23 -0.77 -0.60 9.09 -1.92 -2.66 114.58 125.34 2dlx h GLU 68 Ca -0.42 -0.08 -0.04 0.00 0.05 0.00 0.00 59.36 58.88 2dlx h GLU 68 Cb 1.20 -0.02 -0.04 0.00 -1.65 0.00 0.00 28.75 28.25 2dlx h GLU 68 CO 0.91 0.47 0.34 0.00 0.05 0.00 0.00 179.01 180.78 2dlx h ALA 69 N 1.54 1.14 -0.17 1.06 0.00 -1.97 -0.24 119.26 120.61 2dlx h ALA 69 Ca 0.03 -0.17 -0.16 0.00 0.00 0.00 0.00 54.91 54.61 2dlx h ALA 69 Cb 0.56 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2dlx h ALA 69 CO 0.04 0.63 -0.57 0.28 0.00 0.00 0.00 179.25 179.63 2dlx h VAL 70 N 1.11 1.33 0.45 0.00 2.07 -1.82 -3.06 116.25 116.33 2dlx h VAL 70 Ca 0.26 -1.83 -0.02 0.00 0.82 0.00 0.00 66.70 65.93 2dlx h VAL 70 Cb 0.16 1.81 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 2dlx h VAL 70 CO -0.03 0.57 -0.22 0.11 0.02 0.00 0.00 177.57 178.02 2dlx h LYS 71 N 0.42 -0.59 -1.02 1.57 1.57 -1.15 -1.15 116.57 116.22 2dlx h LYS 71 Ca 0.00 0.04 0.29 0.00 -1.87 0.00 0.00 60.65 59.12 2dlx h LYS 71 Cb 1.12 0.13 -0.04 0.00 0.08 0.00 0.00 32.23 33.52 2dlx h LYS 71 CO 0.11 -0.31 0.84 -0.91 -0.57 0.00 0.00 179.45 178.61 2dlx h ASN 72 N -1.06 0.00 0.00 0.86 2.35 -1.14 0.15 115.58 116.74 2dlx h ASN 72 Ca -0.06 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.66 2dlx h ASN 72 Cb 0.55 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.92 2dlx h ASN 72 CO 0.10 0.00 -0.16 0.40 -1.65 0.00 0.00 177.43 176.12 2dlx h ILE 73 N 0.00 1.21 -0.01 2.81 2.04 -1.44 -1.81 117.51 120.31 2dlx h ILE 73 Ca 0.48 -1.97 0.00 0.00 1.00 0.00 0.00 64.86 64.38 2dlx h ILE 73 Cb 2.16 2.35 -0.00 0.00 -0.74 0.00 0.00 36.82 40.59 2dlx h ILE 73 CO -0.01 0.41 0.03 0.40 0.00 0.00 0.00 178.15 178.99 2dlx h ILE 74 N -1.00 0.19 0.09 -0.67 2.04 0.23 0.40 117.51 118.79 2dlx h ILE 74 Ca -0.04 0.00 -0.33 0.00 1.00 0.00 0.00 64.86 65.50 2dlx h ILE 74 Cb 0.78 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 37.81 2dlx h ILE 74 CO -0.02 0.00 -1.77 0.08 0.00 0.00 0.00 178.15 176.44 2dlx h ARG 75 N 0.00 0.20 0.00 2.37 0.11 -0.74 -2.93 114.38 113.39 2dlx h ARG 75 Ca 0.01 -0.34 0.00 0.00 0.10 0.00 0.00 59.98 59.75 2dlx h ARG 75 Cb 0.07 0.13 0.00 0.00 1.11 0.00 0.00 29.97 31.28 2dlx h ARG 75 CO -0.00 1.16 -0.00 1.49 0.10 0.00 0.00 179.97 182.72 2dlx h GLU 76 N -0.24 0.00 -0.83 0.08 4.81 -0.72 -3.37 114.58 114.31 2dlx h GLU 76 Ca -0.40 0.00 0.09 0.00 -0.13 0.00 0.00 59.36 58.92 2dlx h GLU 76 Cb 1.83 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 31.15 2dlx h GLU 76 CO 0.01 0.00 0.54 0.45 -0.73 0.00 0.00 179.01 179.28 2dlx h HIS 77 N -0.18 0.86 -2.77 0.92 3.86 -0.42 -3.44 115.15 113.97 2dlx h HIS 77 Ca 0.00 0.02 -0.52 0.00 -1.16 0.00 0.00 60.37 58.72 2dlx h HIS 77 Cb 0.00 -0.28 -0.13 0.00 1.06 0.00 0.00 27.41 28.06 2dlx h HIS 77 CO -0.00 0.41 -0.55 -0.06 0.86 0.00 0.00 177.93 178.59 2dlx s PHE 78 N -5.74 1.82 -0.43 2.45 0.40 -1.02 -1.46 117.98 114.00 2dlx s PHE 78 Ca -0.10 -1.17 -0.12 0.00 -0.60 0.00 0.00 56.93 54.94 2dlx s PHE 78 Cb 0.20 -1.18 0.06 0.00 0.51 0.00 0.00 43.02 42.62 2dlx s PHE 78 CO 0.78 -0.20 0.29 0.42 0.70 0.00 0.00 175.22 177.22 2dlx s ILE 79 N -3.28 4.68 -0.27 0.64 -1.09 -0.20 -3.20 121.20 118.48 2dlx s ILE 79 Ca 0.29 -1.14 -0.35 0.00 -2.23 0.00 0.00 60.65 57.22 2dlx s ILE 79 Cb 0.05 -3.77 -0.11 0.00 -1.58 0.00 0.00 42.46 37.04 2dlx s ILE 79 CO 0.15 -0.46 2.08 0.33 -1.23 0.00 0.00 174.94 175.80 2dlx n PHE 80 N 5.04 1.85 -3.57 3.97 7.35 -1.12 -3.53 117.46 127.45 2dlx n PHE 80 Ca -0.11 0.20 -0.28 0.00 -0.76 0.00 0.00 57.45 56.49 2dlx n PHE 80 Cb 0.44 -2.58 -0.16 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 6.35 0.37 0.02 -5.13 -0.00 -1.14 -4.12 118.94 115.28 2dlx s TRP 81 Ca 1.04 -0.77 0.08 0.00 -0.00 0.00 0.00 56.10 56.44 2dlx s TRP 81 Cb -0.79 -0.89 -0.03 0.00 -0.00 0.00 0.00 33.47 31.77 2dlx s TRP 81 CO 0.50 -0.74 -0.23 -1.14 -0.00 0.00 0.00 176.95 175.34 2dlx s GLN 82 N 2.08 2.03 -0.25 5.86 2.00 -1.26 -2.86 119.66 127.26 2dlx s GLN 82 Ca 0.07 -0.99 -0.13 0.00 -2.00 0.00 0.00 55.36 52.31 2dlx s GLN 82 Cb -0.16 -2.09 0.08 0.00 0.80 0.00 0.00 33.01 31.64 2dlx s GLN 82 CO -0.28 0.54 0.61 0.14 -0.50 0.00 0.00 175.29 175.80 2dlx s VAL 83 N -0.78 -0.18 0.91 1.34 -7.23 -1.23 -5.03 120.40 108.21 2dlx s VAL 83 Ca 0.12 0.03 -0.12 0.00 -1.81 0.00 0.00 61.98 60.20 2dlx s VAL 83 Cb -0.10 -0.89 0.06 0.00 0.56 0.00 0.00 36.38 36.00 2dlx s VAL 83 CO 0.02 0.01 0.66 -1.22 -0.31 0.00 0.00 175.10 174.26 2dlx n TYR 84 N 4.53 -0.62 -0.11 2.82 4.01 -1.26 -4.17 117.16 122.36 2dlx n TYR 84 Ca -0.19 0.30 -0.12 0.00 -0.16 0.00 0.00 57.90 57.73 2dlx n TYR 84 Cb 0.56 -1.87 -0.03 0.00 -0.31 0.00 0.00 39.34 37.68 2dlx n TYR 84 CO 0.00 0.00 0.00 1.12 -0.46 0.00 0.00 176.86 177.52 2dlx h HIS 85 N -1.47 0.78 -0.29 -0.72 2.07 -1.91 -3.05 115.15 110.57 2dlx h HIS 85 Ca -0.44 -0.19 0.00 0.00 -2.85 0.00 0.00 60.37 56.89 2dlx h HIS 85 Cb 1.29 -0.18 -0.01 0.00 2.57 0.00 0.00 27.41 31.07 2dlx h HIS 85 CO 0.42 0.89 0.19 0.38 -3.07 0.00 0.00 177.93 176.73 2dlx h ASP 86 N 0.44 0.32 -2.21 3.10 2.03 -1.92 -3.05 116.42 115.13 2dlx h ASP 86 Ca 0.07 -0.01 -0.61 0.00 -0.73 0.00 0.00 57.03 55.75 2dlx h ASP 86 Cb 0.69 -0.08 0.07 0.00 -0.83 0.00 0.00 39.33 39.18 2dlx h ASP 86 CO 0.05 0.23 0.58 -1.54 -1.03 0.00 0.00 179.24 177.53 2dlx n SER 87 N -4.89 2.38 -0.27 4.15 3.41 -1.21 -4.70 113.62 112.48 2dlx n SER 87 Ca -0.02 1.12 -0.04 0.00 -0.26 0.00 0.00 58.87 59.68 2dlx n SER 87 Cb 0.03 -1.34 -0.01 0.00 -0.26 0.00 0.00 64.21 62.62 2dlx n SER 87 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2dlx n GLU 88 N 2.52 -0.22 -0.31 4.33 4.07 -1.26 0.47 120.64 130.24 2dlx n GLU 88 Ca 0.15 1.03 -0.08 0.00 -0.06 0.00 0.00 57.16 58.20 2dlx n GLU 88 Cb 0.27 -1.52 -0.04 0.00 -0.06 0.00 0.00 31.44 30.08 2dlx n GLU 88 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 2dlx h GLU 89 N 0.00 -0.11 -0.62 5.31 5.08 -1.88 0.95 114.58 123.32 2dlx h GLU 89 Ca 0.18 0.01 0.13 0.00 -1.00 0.00 0.00 59.36 58.67 2dlx h GLU 89 Cb 0.35 0.02 -0.11 0.00 0.50 0.00 0.00 28.75 29.51 2dlx h GLU 89 CO -0.65 -0.07 -0.06 0.78 -1.00 0.00 0.00 179.01 178.01 2dlx h GLY 90 N -0.11 0.58 0.44 -3.84 0.00 0.13 0.97 103.07 101.24 2dlx h GLY 90 Ca 0.21 0.13 0.14 0.00 0.00 0.00 0.00 47.33 47.81 2dlx h GLY 90 CO -0.84 -0.22 0.61 1.46 0.00 0.00 0.00 176.54 177.55 2dlx h GLN 91 N 0.07 0.80 -0.04 4.80 1.08 -0.53 -1.73 115.11 119.57 2dlx h GLN 91 Ca 0.31 -0.05 0.02 0.00 -1.45 0.00 0.00 58.65 57.49 2dlx h GLN 91 Cb 0.51 -0.18 -0.03 0.00 -0.05 0.00 0.00 27.48 27.73 2dlx h GLN 91 CO -0.57 0.53 -0.11 0.00 -0.95 0.00 0.00 178.83 177.73 2dlx h ARG 92 N 0.83 -0.16 -0.98 1.46 2.47 -0.11 -0.51 114.38 117.38 2dlx h ARG 92 Ca 0.49 0.01 0.03 0.00 -1.26 0.00 0.00 59.98 59.25 2dlx h ARG 92 Cb 0.66 0.04 -0.06 0.00 -1.65 0.00 0.00 29.97 28.96 2dlx h ARG 92 CO -0.26 -0.11 0.64 -0.92 0.56 0.00 0.00 179.97 179.89 2dlx h TYR 93 N -0.17 1.21 0.53 3.04 3.20 -1.13 0.74 116.97 124.40 2dlx h TYR 93 Ca 0.05 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.93 2dlx h TYR 93 Cb 0.24 -0.40 0.01 0.00 1.54 0.00 0.00 36.73 38.11 2dlx h TYR 93 CO -0.19 0.71 -0.26 0.82 -1.64 0.00 0.00 178.16 177.61 2dlx h ILE 94 N 1.26 0.46 -0.23 1.81 2.04 -0.84 -2.83 117.51 119.18 2dlx h ILE 94 Ca 0.38 -0.11 -0.02 0.00 1.00 0.00 0.00 64.86 66.12 2dlx h ILE 94 Cb -0.03 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 36.55 2dlx h ILE 94 CO -0.11 0.02 0.07 0.06 0.00 0.00 0.00 178.15 178.18 2dlx h GLN 95 N -0.79 0.32 -0.34 2.37 3.07 -0.91 1.22 115.11 120.06 2dlx h GLN 95 Ca -0.07 -0.04 0.04 0.00 0.09 0.00 0.00 58.65 58.67 2dlx h GLN 95 Cb 0.58 -0.06 -0.06 0.00 0.08 0.00 0.00 27.48 28.02 2dlx h GLN 95 CO 0.12 0.29 -0.40 0.35 0.09 0.00 0.00 178.83 179.28 2dlx h PHE 96 N 0.32 -1.22 -0.27 0.06 3.04 -0.59 -2.89 116.94 115.39 2dlx h PHE 96 Ca 0.08 0.06 0.00 0.00 3.98 0.00 0.00 57.97 62.09 2dlx h PHE 96 Cb 0.10 0.58 0.00 0.00 2.56 0.00 0.00 35.95 39.19 2dlx h PHE 96 CO 0.00 -0.33 0.00 0.66 -2.02 0.00 0.00 178.31 176.62 2dlx n TYR 97 N -4.58 0.52 -3.68 0.41 4.02 -1.18 -4.97 117.16 107.71 2dlx n TYR 97 Ca -0.02 -0.63 -0.24 0.00 -0.01 0.00 0.00 57.90 57.00 2dlx n TYR 97 Cb 0.23 -0.12 0.06 0.00 -0.02 0.00 0.00 39.34 39.49 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 0.02 -6.41 -1.36 -0.72 4.76 0.40 -4.92 118.16 109.93 2dlx n LYS 98 Ca 0.13 0.73 -0.36 0.00 -2.87 0.00 0.00 58.31 55.94 2dlx n LYS 98 Cb 0.55 -5.63 0.08 0.00 -1.84 0.00 0.00 35.03 28.19 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 -4.60 3.25 -2.25 -0.35 0.00 0.08 -4.96 117.00 108.16 2dlx n LEU 99 Ca -0.10 0.66 -0.03 0.00 0.00 0.00 0.00 56.01 56.54 2dlx n LEU 99 Cb 0.60 -1.39 0.08 0.00 0.00 0.00 0.00 43.42 42.71 2dlx n LEU 99 CO 0.68 -2.14 0.56 0.61 0.00 0.00 0.00 177.39 177.10 2dlx n GLY 100 N 1.16 1.61 3.67 -3.96 0.00 -1.26 -4.91 105.19 101.50 2dlx n GLY 100 Ca 0.13 -0.13 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 2dlx n GLY 100 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2dlx s ASP 101 N -1.06 -0.35 -0.00 1.61 1.47 -1.26 -5.19 116.67 111.89 2dlx s ASP 101 Ca 0.07 -0.42 -0.23 0.00 1.18 0.00 0.00 52.55 53.14 2dlx s ASP 101 Cb 0.34 0.67 0.05 0.00 -0.34 0.00 0.00 42.92 43.63 2dlx s ASP 101 CO -0.10 -1.19 0.52 -0.36 0.68 0.00 0.00 175.17 174.72 2dlx s PHE 102 N -3.87 -0.44 0.88 2.11 0.40 -1.26 -4.35 117.98 111.46 2dlx s PHE 102 Ca 0.08 0.64 -0.11 0.00 -0.60 0.00 0.00 56.93 56.94 2dlx s PHE 102 Cb -0.04 0.30 0.12 0.00 0.51 0.00 0.00 43.02 43.91 2dlx s PHE 102 CO -0.00 -0.56 1.09 -1.25 0.70 0.00 0.00 175.22 175.20 2dlx s PRO 103 N -1.70 1.35 -0.04 0.24 0.04 -1.26 -5.04 135.00 128.58 2dlx s PRO 103 Ca -0.09 0.85 0.00 0.00 0.04 0.00 0.00 61.00 61.80 2dlx s PRO 103 Cb -0.02 -1.82 0.02 0.00 0.04 0.00 0.00 34.50 32.73 2dlx s PRO 103 CO 0.04 -2.18 -0.02 -0.47 0.04 0.00 0.00 177.00 174.40 2dlx s TYR 104 N -2.93 0.59 -0.17 0.56 6.14 -1.26 -4.80 117.35 115.48 2dlx s TYR 104 Ca 0.63 -0.13 -0.05 0.00 0.64 0.00 0.00 57.07 58.16 2dlx s TYR 104 Cb -0.18 -0.60 0.09 0.00 0.42 0.00 0.00 41.96 41.69 2dlx s TYR 104 CO 0.57 -0.19 0.31 0.08 0.64 0.00 0.00 175.55 176.96 2dlx s VAL 105 N 1.11 -0.49 0.03 3.14 1.01 -1.23 -4.01 120.40 119.95 2dlx s VAL 105 Ca -0.08 0.14 -0.00 0.00 0.00 0.00 0.00 61.98 62.04 2dlx s VAL 105 Cb -0.14 -0.59 -0.03 0.00 0.00 0.00 0.00 36.38 35.62 2dlx s VAL 105 CO -0.01 0.02 -0.03 -0.44 0.00 0.00 0.00 175.10 174.64 2dlx s SER 106 N 2.48 0.39 -0.10 3.32 0.01 -1.26 -2.76 113.70 115.78 2dlx s SER 106 Ca 0.03 -0.69 -0.04 0.00 1.31 0.00 0.00 55.95 56.56 2dlx s SER 106 Cb -0.13 0.13 -0.04 0.00 0.21 0.00 0.00 66.02 66.19 2dlx s SER 106 CO -0.11 -0.40 0.05 -0.63 0.41 0.00 0.00 173.24 172.55 2dlx s ILE 107 N -2.38 4.72 0.31 1.44 1.01 -1.25 -3.77 121.20 121.28 2dlx s ILE 107 Ca -0.07 -0.09 0.11 0.00 0.00 0.00 0.00 60.65 60.60 2dlx s ILE 107 Cb -0.03 -3.02 -0.06 0.00 0.01 0.00 0.00 42.46 39.36 2dlx s ILE 107 CO -0.04 0.61 -0.15 -0.76 0.00 0.00 0.00 174.94 174.60 2dlx s LEU 108 N -0.90 2.66 -0.26 2.97 1.43 -1.11 -0.19 118.68 123.28 2dlx s LEU 108 Ca 0.14 -1.11 -0.08 0.00 -1.03 0.00 0.00 54.13 52.04 2dlx s LEU 108 Cb -0.12 -1.05 -0.03 0.00 0.03 0.00 0.00 46.19 45.02 2dlx s LEU 108 CO 0.03 -0.08 0.10 -0.62 0.23 0.00 0.00 176.35 176.01 2dlx s ASP 109 N -3.56 5.33 0.00 2.29 -1.08 -0.87 -3.63 116.67 115.16 2dlx s ASP 109 Ca 0.31 -0.17 0.07 0.00 -0.52 0.00 0.00 52.55 52.24 2dlx s ASP 109 Cb -0.01 -1.97 0.42 0.00 -1.46 0.00 0.00 42.92 39.90 2dlx s ASP 109 CO 0.16 -0.04 0.88 -0.81 0.52 0.00 0.00 175.17 175.87 2dlx n PRO 110 N 4.96 0.49 -0.06 4.34 -0.04 -1.26 0.11 135.00 143.54 2dlx n PRO 110 Ca -0.16 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.23 2dlx n PRO 110 Cb 0.51 -1.23 -0.07 0.00 -0.04 0.00 0.00 33.50 32.67 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 -0.73 1.40 -0.06 0.54 1.74 -1.26 -4.60 116.66 113.69 2dlx n ARG 111 Ca 0.05 0.03 -0.07 0.00 -0.77 0.00 0.00 57.85 57.09 2dlx n ARG 111 Cb 0.02 -1.27 -0.06 0.00 -1.02 0.00 0.00 32.46 30.14 2dlx n ARG 111 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2dlx n THR 112 N -2.62 0.67 -1.44 0.55 -2.24 -1.03 -5.05 114.28 103.13 2dlx n THR 112 Ca -0.20 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.29 2dlx n THR 112 Cb 0.80 -0.88 0.00 0.00 -2.10 0.00 0.00 70.33 68.14 2dlx n THR 112 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2dlx n GLY 113 N 2.83 0.94 3.63 3.38 0.00 0.31 -5.01 105.19 111.26 2dlx n GLY 113 Ca -0.20 -0.54 -0.28 0.00 0.00 0.00 0.00 46.02 45.00 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 -3.10 1.98 0.02 1.61 -2.07 -1.26 -4.87 119.66 111.98 2dlx s GLN 114 Ca 0.00 -2.17 -0.23 0.00 -1.82 0.00 0.00 55.36 51.14 2dlx s GLN 114 Cb 0.00 -1.42 -0.05 0.00 -1.09 0.00 0.00 33.01 30.45 2dlx s GLN 114 CO 0.00 -0.19 0.69 0.21 -1.32 0.00 0.00 175.29 174.68 2dlx s LYS 115 N -3.78 4.42 0.00 9.60 2.20 -1.26 -2.05 119.74 128.86 2dlx s LYS 115 Ca 0.26 0.91 0.00 0.00 -0.36 0.00 0.00 55.97 56.79 2dlx s LYS 115 Cb 0.07 -3.36 0.00 0.00 -1.51 0.00 0.00 37.83 33.03 2dlx s LYS 115 CO 0.13 0.32 0.00 1.28 -0.36 0.00 0.00 175.35 176.72 2dlx n LEU 116 N 2.78 0.16 -4.91 5.43 4.32 0.73 -4.98 117.00 120.54 2dlx n LEU 116 Ca -0.04 0.08 -0.26 0.00 -0.02 0.00 0.00 56.01 55.77 2dlx n LEU 116 Cb 0.51 -0.38 -0.00 0.00 -1.62 0.00 0.00 43.42 41.92 2dlx n LEU 116 CO 0.45 -0.38 0.06 0.68 -1.22 0.00 0.00 177.39 176.99 2dlx s VAL 117 N -0.76 1.69 -0.16 4.08 -7.23 -1.26 -5.00 120.40 111.76 2dlx s VAL 117 Ca 0.00 -1.47 -0.07 0.00 -1.81 0.00 0.00 61.98 58.63 2dlx s VAL 117 Cb 0.00 -2.16 0.07 0.00 0.56 0.00 0.00 36.38 34.85 2dlx s VAL 117 CO 0.00 0.00 0.35 -1.83 -0.31 0.00 0.00 175.10 173.31 2dlx s GLU 118 N -4.29 0.29 -0.11 4.82 -1.05 -1.26 -3.89 118.70 113.20 2dlx s GLU 118 Ca 0.35 0.80 -0.02 0.00 -0.15 0.00 0.00 54.97 55.95 2dlx s GLU 118 Cb -0.02 0.05 0.04 0.00 -0.44 0.00 0.00 34.13 33.76 2dlx s GLU 118 CO 0.22 -0.21 0.02 -1.58 0.95 0.00 0.00 175.26 174.66 2dlx s TRP 119 N 1.90 0.66 -0.10 4.83 0.51 -1.11 -5.02 118.94 120.61 2dlx s TRP 119 Ca -0.05 -0.33 -0.17 0.00 -2.12 0.00 0.00 56.10 53.43 2dlx s TRP 119 Cb -0.10 -0.82 -0.27 0.00 -0.81 0.00 0.00 33.47 31.46 2dlx s TRP 119 CO -0.11 -0.41 0.59 1.25 -0.51 0.00 0.00 176.95 177.75 2dlx h HIS 120 N 8.32 0.43 -3.62 -1.98 2.76 -1.87 -3.26 115.15 115.94 2dlx h HIS 120 Ca -0.18 -0.31 -0.65 0.00 -2.20 0.00 0.00 60.37 57.04 2dlx h HIS 120 Cb 1.13 -0.02 -0.22 0.00 1.55 0.00 0.00 27.41 29.85 2dlx h HIS 120 CO 0.39 1.51 -0.62 -1.14 -1.30 0.00 0.00 177.93 176.78 2dlx s GLN 121 N -2.46 3.70 0.16 5.26 0.74 -1.26 -4.46 119.66 121.33 2dlx s GLN 121 Ca -0.19 -0.46 0.06 0.00 0.05 0.00 0.00 55.36 54.82 2dlx s GLN 121 Cb 0.04 -3.32 -0.04 0.00 1.10 0.00 0.00 33.01 30.78 2dlx s GLN 121 CO 0.77 -0.14 -0.13 -1.17 -0.55 0.00 0.00 175.29 174.07 2dlx s LEU 122 N 1.49 2.50 0.30 3.68 2.96 -1.26 -4.94 118.68 123.40 2dlx s LEU 122 Ca 0.06 -0.95 -0.20 0.00 -0.22 0.00 0.00 54.13 52.82 2dlx s LEU 122 Cb -0.15 -0.52 0.03 0.00 0.50 0.00 0.00 46.19 46.05 2dlx s LEU 122 CO 0.04 -0.22 0.75 -0.62 -1.32 0.00 0.00 176.35 174.98 2dlx s ASP 123 N -2.98 -0.18 0.17 3.68 2.15 -1.26 -4.92 116.67 113.32 2dlx s ASP 123 Ca 0.16 -0.74 -0.23 0.00 0.43 0.00 0.00 52.55 52.17 2dlx s ASP 123 Cb -0.01 0.75 0.07 0.00 -0.30 0.00 0.00 42.92 43.43 2dlx s ASP 123 CO 0.03 -1.41 1.59 0.58 -0.17 0.00 0.00 175.17 175.79 2dlx h VAL 124 N 2.00 0.20 0.13 1.11 2.07 -1.89 0.34 116.25 120.21 2dlx h VAL 124 Ca -0.23 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 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 0.28 0.00 -0.06 -1.28 0.02 0.00 0.00 177.57 176.53 2dlx h SER 125 N -0.24 -0.15 -0.96 0.57 0.87 -1.99 -3.23 113.55 108.43 2dlx h SER 125 Ca 0.18 -0.08 0.21 0.00 -1.23 0.00 0.00 61.79 60.87 2dlx h SER 125 Cb 0.55 0.04 -0.18 0.00 -0.44 0.00 0.00 62.40 62.36 2dlx h SER 125 CO -0.58 0.37 -0.18 0.28 -0.53 0.00 0.00 176.83 176.18 2dlx h SER 126 N -1.03 -0.80 0.23 6.23 0.02 -1.93 0.17 113.55 116.44 2dlx h SER 126 Ca -0.02 0.28 0.01 0.00 -0.84 0.00 0.00 61.79 61.22 2dlx h SER 126 Cb 0.21 0.57 -0.04 0.00 0.14 0.00 0.00 62.40 63.28 2dlx h SER 126 CO 0.03 -0.32 -0.49 0.15 -1.14 0.00 0.00 176.83 175.06 2dlx h PHE 127 N 0.00 -1.38 0.40 3.45 3.57 -0.45 -1.17 116.94 121.35 2dlx h PHE 127 Ca 0.49 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 62.00 2dlx h PHE 127 Cb 0.80 0.57 -0.00 0.00 2.79 0.00 0.00 35.95 40.11 2dlx h PHE 127 CO -0.69 -0.59 -0.24 -0.07 -2.23 0.00 0.00 178.31 174.49 2dlx h LEU 128 N -0.79 -0.60 -0.76 0.59 3.38 -0.93 0.36 115.31 116.55 2dlx h LEU 128 Ca -0.01 0.03 0.14 0.00 0.09 0.00 0.00 57.88 58.13 2dlx h LEU 128 Cb 0.77 0.17 -0.14 0.00 0.09 0.00 0.00 40.66 41.55 2dlx h LEU 128 CO -0.21 -0.37 -0.22 -0.67 0.09 0.00 0.00 178.44 177.06 2dlx n ASP 129 N -3.79 -0.33 0.13 -0.43 2.03 0.38 0.64 116.55 115.17 2dlx n ASP 129 Ca -0.07 1.31 -0.06 0.00 0.52 0.00 0.00 54.79 56.50 2dlx n ASP 129 Cb 0.25 -0.37 -0.03 0.00 -0.72 0.00 0.00 41.12 40.25 2dlx n ASP 129 CO 0.00 0.00 0.00 1.56 -1.92 0.00 0.00 177.20 176.84 2dlx h GLN 130 N 0.00 -0.35 -0.41 -0.67 4.20 -1.05 -3.13 115.11 113.70 2dlx h GLN 130 Ca 0.34 0.02 0.04 0.00 0.06 0.00 0.00 58.65 59.11 2dlx h GLN 130 Cb 0.53 0.08 -0.06 0.00 0.30 0.00 0.00 27.48 28.32 2dlx h GLN 130 CO -0.78 -0.23 -0.38 0.28 -0.67 0.00 0.00 178.83 177.05 2dlx h VAL 131 N -0.63 0.00 -0.90 -0.54 2.07 0.98 0.50 116.25 117.73 2dlx h VAL 131 Ca -0.04 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.66 2dlx h VAL 131 Cb 0.28 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 29.88 2dlx h VAL 131 CO 0.06 0.00 -0.23 0.35 0.02 0.00 0.00 177.57 177.77 2dlx n THR 132 N -4.50 -0.39 0.11 2.57 -2.24 0.21 -0.97 114.28 109.07 2dlx n THR 132 Ca -0.01 2.06 -0.04 0.00 -2.27 0.00 0.00 64.05 63.79 2dlx n THR 132 Cb 0.21 -2.85 -0.02 0.00 -2.10 0.00 0.00 70.33 65.57 2dlx n THR 132 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2dlx h GLY 133 N 0.00 -0.29 -0.79 3.38 0.00 -1.02 -2.83 103.07 101.52 2dlx h GLY 133 Ca 0.42 0.11 0.12 0.00 0.00 0.00 0.00 47.33 47.98 2dlx h GLY 133 CO -0.92 -0.11 -0.31 0.33 0.00 0.00 0.00 176.54 175.53 2dlx n PHE 134 N -3.05 0.02 -0.27 5.60 7.35 -0.01 0.19 117.46 127.30 2dlx n PHE 134 Ca -0.03 0.97 0.04 0.00 -0.76 0.00 0.00 57.45 57.67 2dlx n PHE 134 Cb 0.11 -0.79 0.18 0.00 0.35 0.00 0.00 39.48 39.33 2dlx n PHE 134 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 2dlx h LEU 135 N 0.00 0.47 -0.48 -2.13 3.38 -1.13 -1.38 115.31 114.04 2dlx h LEU 135 Ca 0.27 0.08 -0.16 0.00 0.09 0.00 0.00 57.88 58.16 2dlx h LEU 135 Cb 0.47 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 2dlx h LEU 135 CO -0.78 0.23 -0.47 1.23 0.09 0.00 0.00 178.44 178.74 2dlx h GLY 136 N 0.60 0.79 0.48 0.83 0.00 0.23 0.60 103.07 106.60 2dlx h GLY 136 Ca 0.41 -0.86 0.02 0.00 0.00 0.00 0.00 47.33 46.90 2dlx h GLY 136 CO -0.33 0.77 -0.32 -2.09 0.00 0.00 0.00 176.54 174.58 2dlx h GLU 137 N 0.58 -0.54 0.00 4.80 4.57 0.54 -3.37 114.58 121.16 2dlx h GLU 137 Ca 0.03 0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.25 2dlx h GLU 137 Cb 1.03 0.12 0.00 0.00 -0.16 0.00 0.00 28.75 29.74 2dlx h GLU 137 CO 0.10 -0.36 -0.53 0.72 -1.18 0.00 0.00 179.01 177.76 2dlx n HIS 138 N -5.42 0.39 0.00 0.92 8.25 -0.90 -5.10 115.22 113.36 2dlx n HIS 138 Ca -0.07 0.17 0.00 0.00 -0.26 0.00 0.00 57.72 57.56 2dlx n HIS 138 Cb 0.33 -0.52 0.00 0.00 1.12 0.00 0.00 29.99 30.92 2dlx n HIS 138 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2dlx n GLY 139 N 1.57 0.61 3.92 -1.41 0.00 0.21 -5.08 105.19 105.01 2dlx n GLY 139 Ca -0.07 -2.13 -0.29 0.00 0.00 0.00 0.00 46.02 43.53 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 -0.54 1.36 1.01 1.61 0.74 -1.26 -4.85 119.66 117.73 2dlx s GLN 140 Ca 0.00 -0.25 -0.15 0.00 0.05 0.00 0.00 55.36 55.01 2dlx s GLN 140 Cb 0.00 -1.95 0.07 0.00 1.10 0.00 0.00 33.01 32.22 2dlx s GLN 140 CO 0.00 -1.92 0.29 -0.11 -0.55 0.00 0.00 175.29 173.00 2dlx n LEU 141 N -3.45 -0.91 0.19 3.68 7.94 -1.26 -4.87 117.00 118.32 2dlx n LEU 141 Ca 0.12 0.17 0.03 0.00 -1.11 0.00 0.00 56.01 55.22 2dlx n LEU 141 Cb 0.60 -1.13 0.38 0.00 0.53 0.00 0.00 43.42 43.80 2dlx n LEU 141 CO 0.50 -3.43 0.74 0.44 -1.11 0.00 0.00 177.39 174.53 2dlx h ASP 142 N -1.76 0.00 0.00 1.96 3.32 -1.95 -3.38 116.42 114.60 2dlx h ASP 142 Ca -0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.58 2dlx h ASP 142 Cb 1.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.86 2dlx h ASP 142 CO 0.36 0.35 0.00 0.61 -1.72 0.00 0.00 179.24 178.84 2dlx n GLY 143 N -0.47 -1.07 3.93 2.75 0.00 -1.26 -4.79 105.19 104.27 2dlx n GLY 143 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.49 -4.75 0.99 4.77 -1.26 -4.94 117.00 109.31 2dlx n LEU 144 Ca 0.00 -0.84 -0.37 0.00 -0.03 0.00 0.00 56.01 54.77 2dlx n LEU 144 Cb 0.00 -2.48 -0.07 0.00 -2.33 0.00 0.00 43.42 38.55 2dlx n LEU 144 CO 0.00 0.43 -0.01 -0.55 -1.33 0.00 0.00 177.39 175.93 2dlx s SER 145 N -3.59 6.48 -0.37 -1.43 0.15 -1.26 -5.01 113.70 108.67 2dlx s SER 145 Ca 0.50 0.56 -0.28 0.00 0.70 0.00 0.00 55.95 57.43 2dlx s SER 145 Cb -0.26 -2.18 -0.07 0.00 -1.71 0.00 0.00 66.02 61.80 2dlx s SER 145 CO 0.85 0.15 2.32 -1.20 1.20 0.00 0.00 173.24 176.56 2dlx n SER 146 N 3.22 2.67 -4.66 5.45 7.64 -1.26 -4.89 113.62 121.79 2dlx n SER 146 Ca -0.13 -0.07 -0.42 0.00 1.01 0.00 0.00 58.87 59.26 2dlx n SER 146 Cb 0.52 -1.52 -0.03 0.00 -1.01 0.00 0.00 64.21 62.17 2dlx n SER 146 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dlx s SER 147 N 9.86 6.68 0.05 6.43 0.01 -1.26 -4.96 113.70 130.50 2dlx s SER 147 Ca 1.02 2.23 -0.30 0.00 1.31 0.00 0.00 55.95 60.21 2dlx s SER 147 Cb -0.35 -2.54 -0.05 0.00 0.21 0.00 0.00 66.02 63.29 2dlx s SER 147 CO 0.33 -0.91 1.13 -0.44 0.41 0.00 0.00 173.24 173.76 2dlx s SER 148 N 3.24 7.18 0.00 2.44 0.01 -1.26 -4.88 113.70 120.43 2dlx s SER 148 Ca 0.73 1.92 0.00 0.00 1.31 0.00 0.00 55.95 59.90 2dlx s SER 148 Cb -0.33 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.32 2dlx s SER 148 CO 0.29 -0.39 0.00 0.61 0.41 0.00 0.00 173.24 174.16 2dlx n GLY 149 N 3.05 3.95 3.73 3.44 0.00 -1.26 -5.12 105.19 112.99 2dlx n GLY 149 Ca 0.08 -1.28 -0.30 0.00 0.00 0.00 0.00 46.02 44.52 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 -5.64 1.59 -0.03 1.61 0.04 -1.26 -5.06 135.00 126.25 2dlx s PRO 150 Ca 0.00 0.94 0.03 0.00 0.04 0.00 0.00 61.00 62.00 2dlx s PRO 150 Cb 0.00 -1.84 -0.03 0.00 0.04 0.00 0.00 34.50 32.67 2dlx s PRO 150 CO 0.00 -2.04 -0.09 -1.12 0.04 0.00 0.00 177.00 173.79 2dlx s SER 151 N -3.41 4.45 0.24 6.66 0.01 -1.26 -5.13 113.70 115.26 2dlx s SER 151 Ca 0.63 -0.12 0.06 0.00 1.31 0.00 0.00 55.95 57.83 2dlx s SER 151 Cb -0.18 -1.03 -0.05 0.00 0.21 0.00 0.00 66.02 64.97 2dlx s SER 151 CO 0.57 0.33 -0.08 -0.55 0.41 0.00 0.00 173.24 173.91 2dlx s SER 152 N -1.03 2.51 0.00 2.44 0.15 -1.26 -5.35 113.70 111.15 2dlx s SER 152 Ca 0.14 -1.13 0.00 0.00 0.70 0.00 0.00 55.95 55.66 2dlx s SER 152 Cb -0.11 -0.12 0.00 0.00 -1.71 0.00 0.00 66.02 64.08 2dlx s SER 152 CO 0.03 -0.31 0.31 0.61 1.20 0.00 0.00 173.24 175.09