#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dll n SER 2 N 0.00 -4.72 -0.40 1.61 2.88 -1.26 -4.91 113.62 106.82 2dll n SER 2 Ca 0.00 -0.43 -0.09 0.00 -1.33 0.00 0.00 58.87 57.02 2dll n SER 2 Cb 0.00 -4.02 -0.07 0.00 -0.75 0.00 0.00 64.21 59.37 2dll n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2dll n SER 3 N -2.12 -0.95 -4.75 -3.46 2.88 -1.26 -4.22 113.62 99.73 2dll n SER 3 Ca -0.04 1.74 -0.37 0.00 -1.33 0.00 0.00 58.87 58.87 2dll n SER 3 Cb 0.56 -0.26 -0.07 0.00 -0.75 0.00 0.00 64.21 63.69 2dll n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dll s GLY 4 N -2.75 2.27 0.21 0.46 0.00 -1.26 -5.07 107.32 101.18 2dll s GLY 4 Ca -0.12 -0.40 -0.07 0.00 0.00 0.00 0.00 44.72 44.13 2dll s GLY 4 CO 0.63 0.38 0.30 -0.56 0.00 0.00 0.00 173.10 173.85 2dll s SER 5 N 0.15 0.03 -0.19 1.64 0.01 -1.26 -5.16 113.70 108.92 2dll s SER 5 Ca 0.19 -1.11 -0.04 0.00 1.31 0.00 0.00 55.95 56.29 2dll s SER 5 Cb -0.14 0.47 0.10 0.00 0.21 0.00 0.00 66.02 66.66 2dll s SER 5 CO 0.06 -0.97 0.30 -0.55 0.41 0.00 0.00 173.24 172.49 2dll s SER 6 N -3.07 0.57 -1.08 2.44 0.15 -1.26 -5.05 113.70 106.40 2dll s SER 6 Ca 0.28 0.28 -0.11 0.00 0.70 0.00 0.00 55.95 57.10 2dll s SER 6 Cb 0.03 0.79 -0.07 0.00 -1.71 0.00 0.00 66.02 65.06 2dll s SER 6 CO 0.09 -0.28 2.24 0.61 1.20 0.00 0.00 173.24 177.09 2dll n GLY 7 N 5.35 3.35 0.18 9.45 0.00 -1.26 -4.54 105.19 117.73 2dll n GLY 7 Ca -0.05 -1.15 -0.16 0.00 0.00 0.00 0.00 46.02 44.66 2dll n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dll h LYS 8 N 6.40 0.60 -0.21 1.61 1.57 -2.00 -3.22 116.57 121.32 2dll h LYS 8 Ca 0.56 -0.44 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 2dll h LYS 8 Cb 0.35 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 2dll h LYS 8 CO 1.68 1.06 0.14 1.25 -0.57 0.00 0.00 179.45 183.01 2dll h LEU 9 N 0.25 0.24 -0.16 2.94 5.85 -1.98 0.30 115.31 122.74 2dll h LEU 9 Ca -0.02 -0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.72 2dll h LEU 9 Cb 1.12 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 42.05 2dll h LEU 9 CO 0.10 0.17 -0.31 -0.09 -0.34 0.00 0.00 178.44 177.98 2dll h ARG 10 N 0.28 -0.26 0.69 1.25 2.43 -1.93 0.19 114.38 117.03 2dll h ARG 10 Ca 0.08 0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.23 2dll h ARG 10 Cb -0.03 0.06 0.01 0.00 -0.42 0.00 0.00 29.97 29.59 2dll h ARG 10 CO -0.02 -0.17 -0.33 0.37 -1.51 0.00 0.00 179.97 178.30 2dll h GLN 11 N -0.27 -0.89 -0.90 0.20 5.75 -1.55 -1.93 115.11 115.52 2dll h GLN 11 Ca 0.03 0.06 0.12 0.00 -0.15 0.00 0.00 58.65 58.71 2dll h GLN 11 Cb 0.36 0.20 -0.13 0.00 1.07 0.00 0.00 27.48 28.98 2dll h GLN 11 CO -0.30 -0.57 -0.41 1.87 -2.65 0.00 0.00 178.83 176.78 2dll n TRP 12 N -5.42 -0.12 0.24 3.99 -0.00 0.10 -0.25 117.44 115.99 2dll n TRP 12 Ca -0.13 1.12 -0.16 0.00 -0.00 0.00 0.00 57.50 58.33 2dll n TRP 12 Cb 0.38 -0.74 -0.08 0.00 -0.00 0.00 0.00 31.31 30.87 2dll n TRP 12 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 177.69 178.94 2dll h LEU 13 N 0.00 -0.55 -1.10 5.87 5.85 -0.63 -2.31 115.31 122.44 2dll h LEU 13 Ca 0.25 0.03 0.27 0.00 0.84 0.00 0.00 57.88 59.27 2dll h LEU 13 Cb 0.48 0.15 -0.12 0.00 0.37 0.00 0.00 40.66 41.54 2dll h LEU 13 CO -0.88 -0.37 0.62 0.40 -0.34 0.00 0.00 178.44 177.87 2dll h ILE 14 N -0.59 0.49 -0.61 4.05 2.04 0.04 0.36 117.51 123.28 2dll h ILE 14 Ca -0.05 -0.17 -0.09 0.00 1.00 0.00 0.00 64.86 65.55 2dll h ILE 14 Cb 0.47 -0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.48 2dll h ILE 14 CO 0.07 0.09 0.04 -0.78 0.00 0.00 0.00 178.15 177.57 2dll h ASP 15 N 0.49 1.02 -0.59 1.72 3.58 -0.17 -0.46 116.42 122.01 2dll h ASP 15 Ca 0.65 -0.27 -0.08 0.00 0.42 0.00 0.00 57.03 57.75 2dll h ASP 15 Cb 1.39 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 42.14 2dll h ASP 15 CO -0.45 1.05 0.04 1.56 -2.88 0.00 0.00 179.24 178.56 2dll h GLN 16 N 0.97 1.02 -0.05 0.28 1.08 0.20 -2.57 115.11 116.03 2dll h GLN 16 Ca 0.18 -0.30 -0.02 0.00 -1.45 0.00 0.00 58.65 57.06 2dll h GLN 16 Cb 0.51 -0.10 -0.00 0.00 -0.05 0.00 0.00 27.48 27.83 2dll h GLN 16 CO 0.02 0.98 -0.04 0.82 -0.95 0.00 0.00 178.83 179.66 2dll h ILE 17 N 0.91 1.36 -0.62 2.54 2.04 -1.04 -2.52 117.51 120.19 2dll h ILE 17 Ca 0.17 -1.16 0.12 0.00 1.00 0.00 0.00 64.86 65.00 2dll h ILE 17 Cb 0.50 2.02 -0.10 0.00 -0.74 0.00 0.00 36.82 38.51 2dll h ILE 17 CO 0.02 0.32 0.07 -0.78 0.00 0.00 0.00 178.15 177.78 2dll h ASP 18 N -0.31 -0.12 -0.09 1.72 1.82 -1.06 0.92 116.42 119.31 2dll h ASP 18 Ca 0.01 0.13 -0.06 0.00 -0.39 0.00 0.00 57.03 56.72 2dll h ASP 18 Cb 0.53 0.21 -0.01 0.00 0.68 0.00 0.00 39.33 40.74 2dll h ASP 18 CO 0.01 -0.05 -0.11 0.77 -1.61 0.00 0.00 179.24 178.24 2dll h SER 19 N 0.19 0.39 -2.31 2.28 4.64 -1.47 -3.46 113.55 113.80 2dll h SER 19 Ca 0.33 -0.09 -0.35 0.00 -0.47 0.00 0.00 61.79 61.21 2dll h SER 19 Cb 0.52 -0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 62.48 2dll h SER 19 CO -0.47 0.54 -0.43 0.61 -0.87 0.00 0.00 176.83 176.21 2dll n GLY 20 N -0.74 -0.14 0.25 -0.77 0.00 0.32 -4.89 105.19 99.20 2dll n GLY 20 Ca 0.00 -0.16 -0.12 0.00 0.00 0.00 0.00 46.02 45.74 2dll n GLY 20 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dll h LYS 21 N 0.00 0.79 -6.35 1.61 1.57 -1.84 -3.44 116.57 108.92 2dll h LYS 21 Ca -0.41 -0.45 -0.55 0.00 -1.87 0.00 0.00 60.65 57.36 2dll h LYS 21 Cb 1.29 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 33.59 2dll h LYS 21 CO 0.49 1.09 0.03 0.71 -0.57 0.00 0.00 179.45 181.19 2dll s TYR 22 N -4.22 3.80 0.50 -1.35 1.51 -1.26 -5.05 117.35 111.26 2dll s TYR 22 Ca -0.10 1.35 -0.21 0.00 -1.01 0.00 0.00 57.07 57.10 2dll s TYR 22 Cb 0.11 -2.56 -0.07 0.00 -0.11 0.00 0.00 41.96 39.33 2dll s TYR 22 CO 0.87 0.53 1.15 -1.25 -1.11 0.00 0.00 175.55 175.74 2dll s PRO 23 N -1.29 3.58 0.00 -1.71 0.04 -1.26 -3.52 135.00 130.84 2dll s PRO 23 Ca 0.33 1.70 0.00 0.00 0.04 0.00 0.00 61.00 63.07 2dll s PRO 23 Cb -0.20 -2.22 0.00 0.00 0.04 0.00 0.00 34.50 32.12 2dll s PRO 23 CO 0.21 -0.68 0.00 0.41 0.04 0.00 0.00 177.00 176.98 2dll n GLY 24 N 0.31 1.74 3.56 0.56 0.00 -1.26 -4.77 105.19 105.33 2dll n GLY 24 Ca 0.09 -0.22 -0.39 0.00 0.00 0.00 0.00 46.02 45.50 2dll n GLY 24 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2dll s LEU 25 N 0.00 3.35 0.00 0.99 2.96 -1.23 -4.65 118.68 120.11 2dll s LEU 25 Ca 0.00 0.66 -0.02 0.00 -0.22 0.00 0.00 54.13 54.55 2dll s LEU 25 Cb 0.00 -2.72 -0.01 0.00 0.50 0.00 0.00 46.19 43.96 2dll s LEU 25 CO 0.00 -2.33 0.03 0.68 -1.32 0.00 0.00 176.35 173.41 2dll s VAL 26 N 9.18 0.06 -0.28 1.68 -7.23 -1.22 -4.73 120.40 117.87 2dll s VAL 26 Ca 0.75 -0.53 -0.29 0.00 -1.81 0.00 0.00 61.98 60.10 2dll s VAL 26 Cb -0.15 -0.23 0.00 0.00 0.56 0.00 0.00 36.38 36.56 2dll s VAL 26 CO 0.24 -0.29 1.22 0.26 -0.31 0.00 0.00 175.10 176.22 2dll s TRP 27 N -0.90 2.87 0.62 2.82 0.52 -1.26 -1.93 118.94 121.68 2dll s TRP 27 Ca -0.10 1.01 0.35 0.00 0.02 0.00 0.00 56.10 57.38 2dll s TRP 27 Cb -0.06 -3.76 1.99 0.00 -1.15 0.00 0.00 33.47 30.49 2dll s TRP 27 CO -0.00 -1.39 2.24 0.93 0.02 0.00 0.00 176.95 178.75 2dll h GLU 28 N 8.70 0.00 -5.02 4.98 5.08 0.34 -3.43 114.58 125.23 2dll h GLU 28 Ca -0.24 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.58 2dll h GLU 28 Cb 1.09 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.20 2dll h GLU 28 CO 1.02 0.00 -0.52 0.54 -1.00 0.00 0.00 179.01 179.06 2dll s ASN 29 N -5.58 2.59 0.14 1.42 2.20 -1.22 -5.03 114.94 109.46 2dll s ASN 29 Ca -0.05 -1.67 0.15 0.00 -0.94 0.00 0.00 52.86 50.36 2dll s ASN 29 Cb 0.14 0.49 -0.07 0.00 -2.00 0.00 0.00 41.25 39.81 2dll s ASN 29 CO 0.48 -0.94 1.08 -0.33 -2.94 0.00 0.00 177.10 174.45 2dll h GLU 30 N 1.86 0.00 0.00 3.55 4.39 -1.93 -3.27 114.58 119.17 2dll h GLU 30 Ca -0.34 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.36 2dll h GLU 30 Cb 1.27 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.92 2dll h GLU 30 CO 0.55 0.41 0.00 -0.85 -1.16 0.00 0.00 179.01 177.96 2dll n GLU 31 N -3.04 0.11 -2.67 2.33 0.28 -1.26 -4.82 120.64 111.56 2dll n GLU 31 Ca -0.05 0.22 -0.21 0.00 -0.16 0.00 0.00 57.16 56.97 2dll n GLU 31 Cb 0.81 -1.50 0.01 0.00 1.43 0.00 0.00 31.44 32.19 2dll n GLU 31 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 2dll n LYS 32 N -1.33 -2.97 -0.13 3.44 4.76 -1.24 -4.87 118.16 115.83 2dll n LYS 32 Ca 0.04 0.91 -0.18 0.00 -2.87 0.00 0.00 58.31 56.21 2dll n LYS 32 Cb 0.08 -5.65 -0.12 0.00 -1.84 0.00 0.00 35.03 27.50 2dll n LYS 32 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2dll n SER 33 N -2.19 1.98 -4.58 4.39 2.88 -1.26 -4.95 113.62 109.89 2dll n SER 33 Ca -0.18 -0.13 -0.34 0.00 -1.33 0.00 0.00 58.87 56.89 2dll n SER 33 Cb 0.65 -0.42 -0.11 0.00 -0.75 0.00 0.00 64.21 63.58 2dll n SER 33 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2dll s ILE 34 N -2.52 3.88 0.29 2.46 1.01 -1.26 -1.75 121.20 123.31 2dll s ILE 34 Ca -0.35 -0.40 -0.04 0.00 0.00 0.00 0.00 60.65 59.86 2dll s ILE 34 Cb 0.09 -2.63 -0.01 0.00 0.01 0.00 0.00 42.46 39.92 2dll s ILE 34 CO 0.60 0.57 0.40 0.72 0.00 0.00 0.00 174.94 177.23 2dll s PHE 35 N -0.50 0.95 -0.03 3.97 -0.71 -1.12 0.10 117.98 120.63 2dll s PHE 35 Ca 0.08 -1.19 0.04 0.00 -1.04 0.00 0.00 56.93 54.82 2dll s PHE 35 Cb -0.12 -0.14 -0.00 0.00 -1.21 0.00 0.00 43.02 41.55 2dll s PHE 35 CO 0.02 -0.99 -0.14 -0.98 -1.34 0.00 0.00 175.22 171.79 2dll s ARG 36 N -3.53 1.38 -0.12 1.99 1.70 -0.81 -2.51 118.95 117.04 2dll s ARG 36 Ca 0.31 -0.49 0.00 0.00 -0.47 0.00 0.00 55.73 55.08 2dll s ARG 36 Cb 0.01 -1.25 -0.02 0.00 -0.57 0.00 0.00 34.95 33.13 2dll s ARG 36 CO 0.16 0.22 -0.13 -1.50 -1.08 0.00 0.00 175.30 172.97 2dll s ILE 37 N 0.01 3.05 -0.26 4.99 2.07 -0.37 -3.40 121.20 127.28 2dll s ILE 37 Ca -0.01 -0.67 -0.29 0.00 -1.41 0.00 0.00 60.65 58.27 2dll s ILE 37 Cb -0.09 -2.27 -0.02 0.00 0.13 0.00 0.00 42.46 40.21 2dll s ILE 37 CO 0.01 0.53 1.64 -2.16 -1.91 0.00 0.00 174.94 173.05 2dll s PRO 38 N 0.25 3.67 -0.14 3.50 0.04 -1.26 0.04 135.00 141.09 2dll s PRO 38 Ca -0.09 1.54 0.12 0.00 0.04 0.00 0.00 61.00 62.60 2dll s PRO 38 Cb -0.15 -4.07 0.59 0.00 0.04 0.00 0.00 34.50 30.90 2dll s PRO 38 CO 0.05 -1.45 1.43 1.87 0.04 0.00 0.00 177.00 178.94 2dll n TRP 39 N 8.92 1.40 -1.63 0.56 -0.00 0.85 -4.93 117.44 122.61 2dll n TRP 39 Ca 0.20 -0.51 -0.44 0.00 -0.00 0.00 0.00 57.50 56.75 2dll n TRP 39 Cb 0.46 -0.33 -0.01 0.00 -0.00 0.00 0.00 31.31 31.43 2dll n TRP 39 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 177.69 179.32 2dll n LYS 40 N 0.59 1.63 -2.80 5.87 4.76 -1.22 -4.87 118.16 122.12 2dll n LYS 40 Ca 0.20 0.57 -0.21 0.00 -2.87 0.00 0.00 58.31 56.01 2dll n LYS 40 Cb 0.86 -2.02 0.06 0.00 -1.84 0.00 0.00 35.03 32.09 2dll n LYS 40 CO 0.00 0.00 0.00 -3.38 -1.37 0.00 0.00 177.40 172.65 2dll s HIS 41 N -1.08 1.97 -0.55 2.13 -3.43 -1.26 -5.00 115.29 108.07 2dll s HIS 41 Ca 0.57 -0.39 -0.27 0.00 -0.80 0.00 0.00 55.06 54.18 2dll s HIS 41 Cb -0.65 -2.60 -0.02 0.00 -1.43 0.00 0.00 32.58 27.88 2dll s HIS 41 CO 0.61 -1.17 1.85 0.00 -2.00 0.00 0.00 174.74 174.02 2dll s ALA 42 N -2.79 2.31 -0.29 -1.38 0.00 -1.26 -4.81 121.76 113.55 2dll s ALA 42 Ca 0.61 -0.46 0.15 0.00 0.00 0.00 0.00 51.96 52.27 2dll s ALA 42 Cb -0.07 -4.24 0.48 0.00 0.00 0.00 0.00 23.12 19.29 2dll s ALA 42 CO 0.40 -3.63 1.13 0.41 0.00 0.00 0.00 175.76 174.07 2dll n GLY 43 N 5.63 3.87 3.42 0.00 0.00 -1.26 -5.07 105.19 111.78 2dll n GLY 43 Ca 0.21 -1.82 -0.12 0.00 0.00 0.00 0.00 46.02 44.28 2dll n GLY 43 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2dll s LYS 44 N -3.66 1.24 -0.02 1.61 2.20 -1.26 -5.06 119.74 114.79 2dll s LYS 44 Ca 0.38 -0.44 0.02 0.00 -0.36 0.00 0.00 55.97 55.57 2dll s LYS 44 Cb 0.37 0.57 -0.02 0.00 -1.51 0.00 0.00 37.83 37.24 2dll s LYS 44 CO -0.01 -0.53 0.00 1.04 -0.36 0.00 0.00 175.35 175.49 2dll n GLN 45 N -0.26 3.37 -0.46 4.03 6.02 -1.26 -4.62 117.38 124.20 2dll n GLN 45 Ca -0.17 0.00 0.08 0.00 -0.01 0.00 0.00 57.00 56.90 2dll n GLN 45 Cb 0.64 -1.05 0.28 0.00 1.02 0.00 0.00 30.24 31.13 2dll n GLN 45 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 2dll n ASP 46 N -2.12 3.76 -4.91 1.08 8.00 -1.26 -4.95 116.55 116.15 2dll n ASP 46 Ca -0.03 -2.28 -0.28 0.00 0.71 0.00 0.00 54.79 52.91 2dll n ASP 46 Cb 0.57 -0.49 0.07 0.00 -0.02 0.00 0.00 41.12 41.25 2dll n ASP 46 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 2dll s TYR 47 N -1.66 2.99 -0.29 1.24 1.13 -1.26 -5.06 117.35 114.44 2dll s TYR 47 Ca 0.41 0.66 -0.08 0.00 -1.41 0.00 0.00 57.07 56.65 2dll s TYR 47 Cb 0.25 -3.31 -0.00 0.00 -1.10 0.00 0.00 41.96 37.80 2dll s TYR 47 CO 0.21 -1.54 0.11 0.54 -2.51 0.00 0.00 175.55 172.36 2dll s ASN 48 N -4.52 5.29 0.11 -0.18 2.20 -1.26 -4.98 114.94 111.59 2dll s ASN 48 Ca 0.61 -0.54 -0.15 0.00 -0.94 0.00 0.00 52.86 51.84 2dll s ASN 48 Cb -0.11 -1.94 -0.07 0.00 -2.00 0.00 0.00 41.25 37.14 2dll s ASN 48 CO 0.47 -0.16 1.46 0.03 -2.94 0.00 0.00 177.10 175.96 2dll h ARG 49 N 8.28 0.70 -0.51 3.55 3.08 -1.97 0.34 114.38 127.85 2dll h ARG 49 Ca -0.33 -0.33 0.07 0.00 0.07 0.00 0.00 59.98 59.46 2dll h ARG 49 Cb 1.14 -0.01 -0.06 0.00 0.08 0.00 0.00 29.97 31.12 2dll h ARG 49 CO 0.60 0.94 0.16 1.49 -1.07 0.00 0.00 179.97 182.09 2dll h GLU 50 N 0.46 0.32 -0.03 0.04 4.81 -1.93 0.31 114.58 118.55 2dll h GLU 50 Ca 0.06 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.21 2dll h GLU 50 Cb 0.76 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.07 2dll h GLU 50 CO 0.06 0.21 -0.22 1.49 -0.73 0.00 0.00 179.01 179.81 2dll h GLU 51 N 0.33 0.21 -0.95 1.92 4.57 -1.96 0.23 114.58 118.94 2dll h GLU 51 Ca 0.25 -0.18 0.11 0.00 -1.18 0.00 0.00 59.36 58.35 2dll h GLU 51 Cb 0.29 0.04 -0.08 0.00 -0.16 0.00 0.00 28.75 28.84 2dll h GLU 51 CO -0.27 0.85 0.58 -0.44 -1.18 0.00 0.00 179.01 178.55 2dll h ASP 52 N -0.37 0.86 -0.46 1.04 5.19 -0.65 -0.78 116.42 121.26 2dll h ASP 52 Ca -0.02 0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.44 2dll h ASP 52 Cb 0.90 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 40.29 2dll h ASP 52 CO 0.05 0.47 0.00 0.00 -3.12 0.00 0.00 179.24 176.64 2dll n ALA 53 N -2.36 3.16 -0.31 3.45 0.00 0.11 -4.63 120.51 119.92 2dll n ALA 53 Ca 0.17 -1.88 0.15 0.00 0.00 0.00 0.00 53.44 51.87 2dll n ALA 53 Cb 0.31 -0.87 0.33 0.00 0.00 0.00 0.00 19.45 19.23 2dll n ALA 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dll h ALA 54 N 3.02 1.48 0.58 0.00 0.00 0.10 0.32 119.26 124.77 2dll h ALA 54 Ca 0.00 0.18 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 2dll h ALA 54 Cb 1.51 0.19 0.01 0.00 0.00 0.00 0.00 17.79 19.50 2dll h ALA 54 CO 0.27 -0.41 -0.28 1.25 0.00 0.00 0.00 179.25 180.08 2dll h LEU 55 N 0.34 -0.67 -0.05 0.00 5.85 -1.82 -2.97 115.31 115.99 2dll h LEU 55 Ca 0.59 0.00 0.03 0.00 0.84 0.00 0.00 57.88 59.34 2dll h LEU 55 Cb 1.18 0.17 -0.06 0.00 0.37 0.00 0.00 40.66 42.32 2dll h LEU 55 CO -0.58 -0.27 -0.44 -0.26 -0.34 0.00 0.00 178.44 176.56 2dll h PHE 56 N -1.18 -1.26 -0.93 1.25 -1.00 -1.70 -2.28 116.94 109.84 2dll h PHE 56 Ca -0.08 0.04 0.13 0.00 2.81 0.00 0.00 57.97 60.88 2dll h PHE 56 Cb 0.62 0.56 -0.14 0.00 3.61 0.00 0.00 35.95 40.59 2dll h PHE 56 CO 0.00 -0.50 -0.43 0.87 -1.61 0.00 0.00 178.31 176.64 2dll h LYS 57 N -0.56 -0.03 -0.80 1.51 1.57 -0.50 0.53 116.57 118.29 2dll h LYS 57 Ca 0.05 0.00 0.17 0.00 -1.87 0.00 0.00 60.65 59.00 2dll h LYS 57 Cb 0.66 0.01 -0.11 0.00 0.08 0.00 0.00 32.23 32.86 2dll h LYS 57 CO -0.35 -0.02 0.29 0.00 -0.57 0.00 0.00 179.45 178.80 2dll h ALA 58 N 1.10 1.14 0.07 3.86 0.00 -1.25 -0.67 119.26 123.52 2dll h ALA 58 Ca 0.29 0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.37 2dll h ALA 58 Cb 0.55 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.45 2dll h ALA 58 CO -0.93 -0.28 -0.40 2.35 0.00 0.00 0.00 179.25 179.98 2dll h TRP 59 N 0.38 -1.14 0.52 0.00 -0.00 0.41 0.62 115.95 116.75 2dll h TRP 59 Ca 0.46 0.03 -0.03 0.00 -0.00 0.00 0.00 58.89 59.36 2dll h TRP 59 Cb 0.78 0.49 0.00 0.00 -0.00 0.00 0.00 29.16 30.43 2dll h TRP 59 CO -0.19 -0.50 -0.26 0.00 -0.00 0.00 0.00 178.44 177.49 2dll h ALA 60 N -0.08 -1.18 -1.09 2.65 0.00 -0.93 0.18 119.26 118.81 2dll h ALA 60 Ca 0.03 -0.16 0.29 0.00 0.00 0.00 0.00 54.91 55.08 2dll h ALA 60 Cb 0.66 0.29 -0.09 0.00 0.00 0.00 0.00 17.79 18.65 2dll h ALA 60 CO -0.26 -1.13 0.71 -0.07 0.00 0.00 0.00 179.25 178.49 2dll h LEU 61 N -0.71 0.38 0.28 0.00 3.38 -1.12 0.29 115.31 117.80 2dll h LEU 61 Ca -0.07 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2dll h LEU 61 Cb 0.55 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.33 2dll h LEU 61 CO 0.11 0.04 -0.14 0.15 0.09 0.00 0.00 178.44 178.70 2dll h PHE 62 N 0.31 -0.35 0.61 1.13 3.04 0.53 -3.37 116.94 118.85 2dll h PHE 62 Ca 0.62 -0.01 -0.03 0.00 3.98 0.00 0.00 57.97 62.53 2dll h PHE 62 Cb 1.71 0.12 0.01 0.00 2.56 0.00 0.00 35.95 40.35 2dll h PHE 62 CO -0.00 0.00 -0.30 0.87 -2.02 0.00 0.00 178.31 176.86 2dll h LYS 63 N -0.88 -0.80 0.00 1.11 1.79 0.69 -3.46 116.57 115.01 2dll h LYS 63 Ca -0.04 0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 2dll h LYS 63 Cb 0.51 0.18 0.00 0.00 -1.58 0.00 0.00 32.23 31.34 2dll h LYS 63 CO 0.06 -0.53 0.00 0.41 -1.08 0.00 0.00 179.45 178.31 2dll n GLY 64 N -1.35 3.64 2.91 3.86 0.00 0.88 -5.09 105.19 110.03 2dll n GLY 64 Ca -0.10 -2.03 -0.30 0.00 0.00 0.00 0.00 46.02 43.58 2dll n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dll s LYS 65 N 2.45 1.25 -0.28 1.61 3.01 -1.26 -4.40 119.74 122.11 2dll s LYS 65 Ca 0.00 -1.42 -0.07 0.00 -1.01 0.00 0.00 55.97 53.46 2dll s LYS 65 Cb 0.00 -2.66 -0.00 0.00 -1.01 0.00 0.00 37.83 34.15 2dll s LYS 65 CO 0.00 -0.89 0.08 0.12 0.51 0.00 0.00 175.35 175.17 2dll s PHE 66 N 1.25 3.13 -0.42 3.18 5.36 -1.26 -5.06 117.98 124.15 2dll s PHE 66 Ca 0.07 -0.80 -0.28 0.00 -0.96 0.00 0.00 56.93 54.96 2dll s PHE 66 Cb -0.18 -2.26 0.00 0.00 -0.34 0.00 0.00 43.02 40.24 2dll s PHE 66 CO -0.14 -0.51 1.51 1.03 -1.46 0.00 0.00 175.22 175.65 2dll s ARG 67 N 1.54 3.45 0.21 10.12 1.81 -1.26 -4.88 118.95 129.94 2dll s ARG 67 Ca 0.04 0.96 -0.09 0.00 -1.72 0.00 0.00 55.73 54.93 2dll s ARG 67 Cb -0.17 -4.09 0.16 0.00 -0.45 0.00 0.00 34.95 30.40 2dll s ARG 67 CO 0.03 -1.72 1.80 1.49 -0.68 0.00 0.00 175.30 176.21 2dll h GLU 68 N 11.38 1.14 0.00 3.54 4.57 -1.98 0.65 114.58 133.88 2dll h GLU 68 Ca -0.29 -0.17 -0.02 0.00 -1.18 0.00 0.00 59.36 57.70 2dll h GLU 68 Cb 1.12 -0.20 -0.00 0.00 -0.16 0.00 0.00 28.75 29.50 2dll h GLU 68 CO 1.09 0.89 -0.26 0.78 -1.18 0.00 0.00 179.01 180.33 2dll h GLY 69 N 1.11 0.00 0.79 1.92 0.00 -2.00 -3.40 103.07 101.49 2dll h GLY 69 Ca 0.27 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.58 2dll h GLY 69 CO -0.03 0.00 -0.35 -2.22 0.00 0.00 0.00 176.54 173.94 2dll h ILE 70 N -1.00 0.28 -3.32 2.60 2.04 -1.98 -3.43 117.51 112.70 2dll h ILE 70 Ca -0.03 0.00 -0.49 0.00 1.00 0.00 0.00 64.86 65.34 2dll h ILE 70 Cb 0.41 0.28 0.02 0.00 -0.74 0.00 0.00 36.82 36.80 2dll h ILE 70 CO -0.02 0.00 0.00 -1.81 0.00 0.00 0.00 178.15 176.32 2dll s ASP 71 N -4.49 6.30 -0.05 1.72 1.11 0.22 -5.05 116.67 116.43 2dll s ASP 71 Ca -0.17 0.78 -0.14 0.00 0.18 0.00 0.00 52.55 53.20 2dll s ASP 71 Cb 0.05 -2.18 -0.05 0.00 1.07 0.00 0.00 42.92 41.81 2dll s ASP 71 CO 0.62 -0.46 0.35 -0.75 1.18 0.00 0.00 175.17 176.12 2dll s LYS 72 N -4.49 3.91 0.47 8.23 2.20 -1.26 -4.35 119.74 124.45 2dll s LYS 72 Ca 0.45 0.29 -0.23 0.00 -0.36 0.00 0.00 55.97 56.12 2dll s LYS 72 Cb -0.10 -3.26 -0.07 0.00 -1.51 0.00 0.00 37.83 32.89 2dll s LYS 72 CO 0.40 0.61 1.16 -1.25 -0.36 0.00 0.00 175.35 175.92 2dll s PRO 73 N -0.76 3.73 -0.27 4.03 0.04 -1.26 -5.04 135.00 135.47 2dll s PRO 73 Ca 0.22 1.76 -0.01 0.00 0.04 0.00 0.00 61.00 63.01 2dll s PRO 73 Cb -0.15 -2.38 0.14 0.00 0.04 0.00 0.00 34.50 32.15 2dll s PRO 73 CO 0.10 -0.57 0.35 0.16 0.04 0.00 0.00 177.00 177.08 2dll s ASP 74 N -1.39 0.81 0.28 6.66 1.47 -1.26 -5.03 116.67 118.21 2dll s ASP 74 Ca 0.64 -0.30 0.02 0.00 1.18 0.00 0.00 52.55 54.10 2dll s ASP 74 Cb -0.28 0.87 0.69 0.00 -0.34 0.00 0.00 42.92 43.85 2dll s ASP 74 CO 0.34 -0.35 1.69 -0.65 0.68 0.00 0.00 175.17 176.89 2dll h PRO 75 N 8.21 0.36 -0.65 2.11 0.11 -2.00 -1.56 132.00 138.59 2dll h PRO 75 Ca -0.14 -0.02 0.14 0.00 0.11 0.00 0.00 66.00 66.09 2dll h PRO 75 Cb 1.12 -0.08 -0.12 0.00 0.11 0.00 0.00 31.00 32.03 2dll h PRO 75 CO 0.29 0.24 -0.06 -1.35 -0.21 0.00 0.00 178.00 176.91 2dll h PRO 76 N 0.37 0.06 -0.44 1.05 0.11 -1.98 0.16 132.00 131.33 2dll h PRO 76 Ca 0.54 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.62 2dll h PRO 76 Cb 1.01 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.09 2dll h PRO 76 CO -0.53 0.04 0.18 1.15 -0.21 0.00 0.00 178.00 178.63 2dll h THR 77 N 0.07 1.20 -0.12 -1.15 2.02 -1.71 0.52 112.91 113.74 2dll h THR 77 Ca 0.33 -0.62 -0.00 0.00 0.77 0.00 0.00 66.41 66.90 2dll h THR 77 Cb 0.54 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 67.72 2dll h THR 77 CO -0.60 0.23 0.07 -0.50 0.37 0.00 0.00 175.52 175.09 2dll h TRP 78 N 0.58 0.15 0.17 3.16 6.55 -1.05 -2.18 115.95 123.33 2dll h TRP 78 Ca 0.15 0.00 -0.01 0.00 0.95 0.00 0.00 58.89 59.98 2dll h TRP 78 Cb 0.18 -0.05 0.00 0.00 -0.86 0.00 0.00 29.16 28.44 2dll h TRP 78 CO 0.00 0.13 -0.08 0.87 -1.05 0.00 0.00 178.44 178.31 2dll h LYS 79 N 0.13 -0.22 -0.38 0.49 1.57 -0.64 -3.11 116.57 114.41 2dll h LYS 79 Ca 0.04 0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.87 2dll h LYS 79 Cb 0.02 0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.34 2dll h LYS 79 CO -0.01 -0.15 -0.23 2.41 -0.57 0.00 0.00 179.45 180.91 2dll n THR 80 N -3.32 -0.26 -0.09 -0.16 -1.04 0.18 -0.07 114.28 109.52 2dll n THR 80 Ca -0.03 1.58 -0.03 0.00 -2.04 0.00 0.00 64.05 63.52 2dll n THR 80 Cb 0.09 -2.01 -0.03 0.00 -1.82 0.00 0.00 70.33 66.56 2dll n THR 80 CO 0.00 0.00 0.00 0.03 -0.64 0.00 0.00 175.07 174.46 2dll h ARG 81 N 0.00 -0.05 -0.30 -2.82 -0.00 -1.54 -0.78 114.38 108.89 2dll h ARG 81 Ca 0.06 0.00 0.04 0.00 -0.50 0.00 0.00 59.98 59.59 2dll h ARG 81 Cb 0.16 0.01 -0.08 0.00 0.00 0.00 0.00 29.97 30.06 2dll h ARG 81 CO -0.36 -0.03 -0.55 1.25 0.00 0.00 0.00 179.97 180.28 2dll h LEU 82 N -0.05 -1.79 -0.96 3.04 5.85 -1.17 -0.84 115.31 119.39 2dll h LEU 82 Ca 0.04 0.23 0.19 0.00 0.84 0.00 0.00 57.88 59.17 2dll h LEU 82 Cb 0.14 0.72 -0.18 0.00 0.37 0.00 0.00 40.66 41.71 2dll h LEU 82 CO -0.23 -0.44 -0.24 -1.14 -0.34 0.00 0.00 178.44 176.05 2dll n ARG 83 N -5.40 -0.09 -0.11 1.25 0.63 0.89 0.74 116.66 114.57 2dll n ARG 83 Ca -0.04 1.50 -0.07 0.00 -0.92 0.00 0.00 57.85 58.31 2dll n ARG 83 Cb 0.36 -2.24 0.01 0.00 0.45 0.00 0.00 32.46 31.04 2dll n ARG 83 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2dll h ALA 85 N 1.17 0.01 -0.79 0.00 0.00 0.11 -0.12 119.26 119.65 2dll h ALA 85 Ca 0.15 0.04 0.16 0.00 0.00 0.00 0.00 54.91 55.26 2dll h ALA 85 Cb 0.02 0.15 -0.15 0.00 0.00 0.00 0.00 17.79 17.82 2dll h ALA 85 CO -0.08 -0.53 -0.19 1.25 0.00 0.00 0.00 179.25 179.70 2dll h LEU 86 N -0.08 -0.72 -0.28 0.00 5.85 -0.79 0.18 115.31 119.46 2dll h LEU 86 Ca 0.06 0.24 -0.11 0.00 0.84 0.00 0.00 57.88 58.91 2dll h LEU 86 Cb 0.17 0.49 -0.00 0.00 0.37 0.00 0.00 40.66 41.68 2dll h LEU 86 CO -0.15 -0.26 -0.27 -1.13 -0.34 0.00 0.00 178.44 176.30 2dll h ASN 87 N 0.00 0.72 -1.00 1.25 -0.73 -1.33 -3.10 115.58 111.38 2dll h ASN 87 Ca 0.38 -0.47 0.14 0.00 1.87 0.00 0.00 56.30 58.23 2dll h ASN 87 Cb 0.59 -0.20 -0.09 0.00 0.27 0.00 0.00 38.32 38.88 2dll h ASN 87 CO -0.81 1.04 0.62 0.11 -0.37 0.00 0.00 177.43 178.02 2dll h LYS 88 N 0.41 0.89 -5.73 6.67 1.79 0.11 -3.40 116.57 117.31 2dll h LYS 88 Ca 0.05 -0.05 -0.58 0.00 -2.18 0.00 0.00 60.65 57.88 2dll h LYS 88 Cb 0.83 -0.20 -0.02 0.00 -1.58 0.00 0.00 32.23 31.26 2dll h LYS 88 CO 0.07 0.59 1.54 0.45 -1.08 0.00 0.00 179.45 181.01 2dll n SER 89 N -4.67 1.96 0.17 0.86 2.88 0.37 -4.79 113.62 110.40 2dll n SER 89 Ca 0.20 0.12 0.03 0.00 -1.33 0.00 0.00 58.87 57.90 2dll n SER 89 Cb 0.42 -1.31 0.28 0.00 -0.75 0.00 0.00 64.21 62.85 2dll n SER 89 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 2dll h ASN 90 N 14.37 0.00 -0.01 -3.46 4.21 -1.89 -2.72 115.58 126.08 2dll h ASN 90 Ca -0.24 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.27 2dll h ASN 90 Cb 1.30 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.50 2dll h ASN 90 CO 1.11 0.45 0.00 0.47 -1.29 0.00 0.00 177.43 178.17 2dll n ASP 91 N -3.63 0.40 -4.50 5.81 9.92 -1.26 -4.78 116.55 118.50 2dll n ASP 91 Ca -0.01 -2.00 -0.32 0.00 -0.53 0.00 0.00 54.79 51.93 2dll n ASP 91 Cb 0.54 -0.17 -0.12 0.00 -0.64 0.00 0.00 41.12 40.73 2dll n ASP 91 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 2dll s PHE 92 N -1.66 2.69 0.05 1.24 0.40 -1.03 0.24 117.98 119.90 2dll s PHE 92 Ca 0.01 -0.17 0.04 0.00 -0.60 0.00 0.00 56.93 56.21 2dll s PHE 92 Cb 0.00 -1.54 -0.04 0.00 0.51 0.00 0.00 43.02 41.95 2dll s PHE 92 CO 0.00 0.27 -0.04 -2.00 0.70 0.00 0.00 175.22 174.16 2dll s GLU 93 N -1.28 2.53 -0.44 0.44 2.56 0.97 -4.82 118.70 118.66 2dll s GLU 93 Ca 0.15 -0.79 -0.22 0.00 0.00 0.00 0.00 54.97 54.10 2dll s GLU 93 Cb -0.11 -2.52 0.02 0.00 2.00 0.00 0.00 34.13 33.53 2dll s GLU 93 CO 0.05 0.57 0.75 -2.00 -0.56 0.00 0.00 175.26 174.07 2dll s GLU 94 N -1.87 3.40 -0.18 4.30 2.12 -1.26 -2.16 118.70 123.06 2dll s GLU 94 Ca 0.21 -0.14 0.15 0.00 0.36 0.00 0.00 54.97 55.55 2dll s GLU 94 Cb -0.11 -3.93 0.75 0.00 0.26 0.00 0.00 34.13 31.10 2dll s GLU 94 CO 0.13 -1.07 1.65 1.28 -0.54 0.00 0.00 175.26 176.71 2dll n LEU 95 N 6.58 5.16 -0.39 2.70 4.77 -0.92 -4.61 117.00 130.30 2dll n LEU 95 Ca 0.01 -2.62 0.33 0.00 -0.03 0.00 0.00 56.01 53.71 2dll n LEU 95 Cb 0.48 -0.64 0.51 0.00 -2.33 0.00 0.00 43.42 41.44 2dll n LEU 95 CO 0.57 0.68 1.06 0.55 -1.33 0.00 0.00 177.39 178.92 2dll n VAL 96 N 0.79 0.00 -0.33 4.08 3.14 -1.24 0.14 118.33 124.90 2dll n VAL 96 Ca 0.26 1.06 0.10 0.00 -2.96 0.00 0.00 64.34 62.80 2dll n VAL 96 Cb 1.04 -1.81 0.27 0.00 -1.06 0.00 0.00 33.84 32.28 2dll n VAL 96 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 2dll h GLU 97 N 0.00 0.72 0.00 1.45 5.08 -1.91 -0.92 114.58 119.00 2dll h GLU 97 Ca 0.58 -0.04 -0.14 0.00 -1.00 0.00 0.00 59.36 58.76 2dll h GLU 97 Cb 2.62 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 31.68 2dll h GLU 97 CO -0.01 0.47 -1.31 0.00 -1.00 0.00 0.00 179.01 177.17 2dll h ARG 98 N 0.74 0.00 -6.29 2.33 3.08 0.80 -3.47 114.38 111.57 2dll h ARG 98 Ca 0.52 0.00 -0.65 0.00 0.07 0.00 0.00 59.98 59.92 2dll h ARG 98 Cb 0.75 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.83 2dll h ARG 98 CO -0.36 0.24 0.85 -1.13 -1.07 0.00 0.00 179.97 178.51 2dll n SER 99 N -2.86 2.75 -4.08 7.04 3.41 -0.35 -4.89 113.62 114.63 2dll n SER 99 Ca -0.08 1.05 -0.33 0.00 -0.26 0.00 0.00 58.87 59.25 2dll n SER 99 Cb 0.79 -1.29 -0.14 0.00 -0.26 0.00 0.00 64.21 63.31 2dll n SER 99 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2dll s GLN 100 N 2.50 1.85 -0.02 4.33 -1.52 -1.07 -4.91 119.66 120.82 2dll s GLN 100 Ca 0.89 -1.74 0.21 0.00 -1.95 0.00 0.00 55.36 52.77 2dll s GLN 100 Cb -0.84 -3.32 -0.30 0.00 -0.22 0.00 0.00 33.01 28.34 2dll s GLN 100 CO 0.51 -0.92 0.58 1.28 -0.25 0.00 0.00 175.29 176.48 2dll n LEU 101 N 4.44 0.28 -0.63 2.90 4.77 -1.26 -2.51 117.00 124.98 2dll n LEU 101 Ca -0.02 -0.14 0.01 0.00 -0.03 0.00 0.00 56.01 55.83 2dll n LEU 101 Cb 0.42 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.57 2dll n LEU 101 CO 0.27 0.07 0.39 0.47 -1.33 0.00 0.00 177.39 177.26 2dll n ASP 102 N -2.01 1.57 -4.67 -1.43 9.92 -1.26 -4.54 116.55 114.12 2dll n ASP 102 Ca -0.02 -2.13 -0.24 0.00 -0.53 0.00 0.00 54.79 51.88 2dll n ASP 102 Cb 0.48 -0.44 -0.07 0.00 -0.64 0.00 0.00 41.12 40.44 2dll n ASP 102 CO 0.00 0.00 0.00 0.27 0.13 0.00 0.00 177.20 177.60 2dll s ILE 103 N -1.40 2.92 0.29 0.53 -4.36 -1.26 -5.02 121.20 112.90 2dll s ILE 103 Ca 0.09 -1.86 -0.02 0.00 -0.26 0.00 0.00 60.65 58.60 2dll s ILE 103 Cb 0.06 -2.87 0.39 0.00 1.25 0.00 0.00 42.46 41.29 2dll s ILE 103 CO 0.03 -0.23 1.59 0.28 0.24 0.00 0.00 174.94 176.85 2dll h SER 104 N 1.73 -0.50 -3.69 4.36 0.02 -1.93 -3.25 113.55 110.28 2dll h SER 104 Ca -0.43 0.26 -0.67 0.00 -0.84 0.00 0.00 61.79 60.11 2dll h SER 104 Cb 1.25 0.47 -0.38 0.00 0.14 0.00 0.00 62.40 63.88 2dll h SER 104 CO 0.64 -0.31 -0.71 -1.81 -1.14 0.00 0.00 176.83 173.51 2dll s ASP 105 N -5.09 4.79 0.38 3.07 1.01 -1.26 -5.07 116.67 114.50 2dll s ASP 105 Ca -0.13 -1.98 -0.26 0.00 0.71 0.00 0.00 52.55 50.89 2dll s ASP 105 Cb 0.27 -1.65 -0.09 0.00 1.01 0.00 0.00 42.92 42.47 2dll s ASP 105 CO 0.77 -0.37 1.20 -2.16 0.21 0.00 0.00 175.17 174.82 2dll s PRO 106 N 0.98 4.15 -0.09 8.23 0.04 -1.23 -4.86 135.00 142.21 2dll s PRO 106 Ca 0.07 1.92 -0.21 0.00 0.04 0.00 0.00 61.00 62.82 2dll s PRO 106 Cb -0.20 -2.79 0.05 0.00 0.04 0.00 0.00 34.50 31.60 2dll s PRO 106 CO -0.07 -0.26 0.51 1.52 0.04 0.00 0.00 177.00 178.74 2dll s TYR 107 N -1.33 -0.48 -0.19 0.56 1.13 -1.04 -0.10 117.35 115.89 2dll s TYR 107 Ca 0.55 0.97 -0.05 0.00 -1.41 0.00 0.00 57.07 57.12 2dll s TYR 107 Cb -0.33 0.23 -0.03 0.00 -1.10 0.00 0.00 41.96 40.74 2dll s TYR 107 CO 0.42 -0.42 -0.00 0.15 -2.51 0.00 0.00 175.55 173.19 2dll s LYS 108 N -0.68 3.68 0.03 -3.49 1.02 0.11 -2.60 119.74 117.79 2dll s LYS 108 Ca -0.08 -0.50 -0.11 0.00 0.02 0.00 0.00 55.97 55.31 2dll s LYS 108 Cb -0.03 -3.05 -0.05 0.00 -0.52 0.00 0.00 37.83 34.18 2dll s LYS 108 CO 0.05 0.11 0.36 0.08 -0.92 0.00 0.00 175.35 175.02 2dll s VAL 109 N 0.75 5.14 0.02 3.17 1.01 -1.26 -1.23 120.40 127.99 2dll s VAL 109 Ca 0.00 0.51 -0.07 0.00 0.00 0.00 0.00 61.98 62.42 2dll s VAL 109 Cb -0.14 -3.63 -0.00 0.00 0.00 0.00 0.00 36.38 32.60 2dll s VAL 109 CO 0.02 0.42 0.13 -0.31 0.00 0.00 0.00 175.10 175.36 2dll s TYR 110 N -1.25 0.10 -0.13 5.22 1.51 -1.04 -2.15 117.35 119.60 2dll s TYR 110 Ca 0.28 -0.28 0.03 0.00 -1.01 0.00 0.00 57.07 56.08 2dll s TYR 110 Cb -0.14 -0.08 0.01 0.00 -0.11 0.00 0.00 41.96 41.63 2dll s TYR 110 CO 0.15 -0.34 -0.22 0.50 -1.11 0.00 0.00 175.55 174.53 2dll s ARG 111 N -1.98 3.05 -0.58 -0.62 3.52 -0.92 -2.80 118.95 118.62 2dll s ARG 111 Ca -0.10 -0.85 -0.27 0.00 -0.13 0.00 0.00 55.73 54.38 2dll s ARG 111 Cb -0.04 -2.41 -0.01 0.00 -1.56 0.00 0.00 34.95 30.92 2dll s ARG 111 CO -0.01 0.05 1.72 0.42 -0.81 0.00 0.00 175.30 176.67 2dll s ILE 112 N 0.67 3.48 -0.09 4.11 1.01 -0.71 -0.02 121.20 129.64 2dll s ILE 112 Ca -0.10 0.34 -0.30 0.00 0.00 0.00 0.00 60.65 60.58 2dll s ILE 112 Cb -0.16 -4.09 -0.02 0.00 0.01 0.00 0.00 42.46 38.20 2dll s ILE 112 CO 0.02 -0.99 1.12 -0.69 0.00 0.00 0.00 174.94 174.39 2dll s VAL 113 N 7.98 4.48 0.56 2.92 1.01 0.65 -4.95 120.40 133.05 2dll s VAL 113 Ca 0.63 1.78 -0.09 0.00 0.00 0.00 0.00 61.98 64.29 2dll s VAL 113 Cb -0.13 -4.14 0.14 0.00 0.00 0.00 0.00 36.38 32.25 2dll s VAL 113 CO 0.22 -0.01 0.50 -0.81 0.00 0.00 0.00 175.10 175.00 2dll n PRO 114 N 5.22 -2.00 -2.79 2.72 -0.04 -1.26 -4.55 135.00 132.29 2dll n PRO 114 Ca 0.10 -0.80 -0.19 0.00 -0.04 0.00 0.00 63.50 62.57 2dll n PRO 114 Cb 0.47 -0.75 0.03 0.00 -0.04 0.00 0.00 33.50 33.21 2dll n PRO 114 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 2dll s GLU 115 N -4.14 2.63 0.61 0.54 -1.05 -1.26 -4.95 118.70 111.08 2dll s GLU 115 Ca 0.33 -0.99 -0.19 0.00 -0.15 0.00 0.00 54.97 53.96 2dll s GLU 115 Cb -0.03 -2.60 -0.02 0.00 -0.44 0.00 0.00 34.13 31.04 2dll s GLU 115 CO 0.25 -0.56 1.32 0.45 0.95 0.00 0.00 175.26 177.67 2dll s SER 116 N -4.41 4.84 0.50 0.83 0.15 -1.26 -4.93 113.70 109.43 2dll s SER 116 Ca 0.57 2.67 -0.23 0.00 0.70 0.00 0.00 55.95 59.65 2dll s SER 116 Cb -0.10 -2.62 -0.07 0.00 -1.71 0.00 0.00 66.02 61.52 2dll s SER 116 CO 0.36 -1.85 1.39 0.61 1.20 0.00 0.00 173.24 174.95 2dll n GLY 117 N 0.83 0.87 0.17 9.45 0.00 -1.26 -4.91 105.19 110.33 2dll n GLY 117 Ca 0.14 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.26 2dll n GLY 117 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dll h PRO 118 N 1.82 0.05 -6.97 1.61 0.13 -2.02 -3.45 132.00 123.17 2dll h PRO 118 Ca -0.51 -0.02 -0.46 0.00 -0.87 0.00 0.00 66.00 64.14 2dll h PRO 118 Cb 1.29 0.00 0.06 0.00 0.13 0.00 0.00 31.00 32.48 2dll h PRO 118 CO 0.59 0.52 0.04 0.45 -0.23 0.00 0.00 178.00 179.36 2dll s SER 119 N -6.89 4.78 -0.14 1.44 0.15 -1.26 -5.06 113.70 106.71 2dll s SER 119 Ca -0.03 -0.25 -0.13 0.00 0.70 0.00 0.00 55.95 56.25 2dll s SER 119 Cb 0.13 -0.35 -0.10 0.00 -1.71 0.00 0.00 66.02 63.99 2dll s SER 119 CO 0.75 -1.53 0.14 -1.28 1.20 0.00 0.00 173.24 172.52 2dll h SER 120 N -0.24 0.00 0.00 5.45 0.87 -2.04 -3.53 113.55 114.07 2dll h SER 120 Ca -0.38 -0.31 0.00 0.00 -1.23 0.00 0.00 61.79 59.87 2dll h SER 120 Cb 1.28 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.24 2dll h SER 120 CO 0.45 0.90 0.00 0.61 -0.53 0.00 0.00 176.83 178.26