#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dll s SER 2 N 0.00 2.29 -0.13 1.61 0.15 -1.26 -5.13 113.70 111.23 2dll s SER 2 Ca 0.00 -0.39 -0.11 0.00 0.70 0.00 0.00 55.95 56.15 2dll s SER 2 Cb 0.00 -0.88 0.03 0.00 -1.71 0.00 0.00 66.02 63.47 2dll s SER 2 CO 0.00 0.12 0.33 -0.94 1.20 0.00 0.00 173.24 173.95 2dll s SER 3 N 0.31 -0.35 0.11 5.45 1.04 -1.26 -5.17 113.70 113.83 2dll s SER 3 Ca -0.11 0.67 0.01 0.00 0.48 0.00 0.00 55.95 57.00 2dll s SER 3 Cb -0.15 0.68 0.01 0.00 0.10 0.00 0.00 66.02 66.66 2dll s SER 3 CO 0.04 -0.12 0.06 0.61 0.98 0.00 0.00 173.24 174.81 2dll n GLY 4 N 2.94 3.31 0.23 7.32 0.00 -1.26 -5.02 105.19 112.71 2dll n GLY 4 Ca -0.13 -2.21 0.00 0.00 0.00 0.00 0.00 46.02 43.68 2dll n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2dll h SER 5 N 0.17 0.06 -3.65 1.61 0.87 -1.99 -3.41 113.55 107.21 2dll h SER 5 Ca -0.07 0.10 -0.53 0.00 -1.23 0.00 0.00 61.79 60.06 2dll h SER 5 Cb 0.26 0.13 0.08 0.00 -0.44 0.00 0.00 62.40 62.42 2dll h SER 5 CO 0.12 0.04 0.75 -0.55 -0.53 0.00 0.00 176.83 176.67 2dll s SER 6 N -5.32 6.56 -0.03 6.23 0.15 -1.26 -5.02 113.70 115.01 2dll s SER 6 Ca -0.13 2.82 0.02 0.00 0.70 0.00 0.00 55.95 59.36 2dll s SER 6 Cb 0.17 -2.64 0.01 0.00 -1.71 0.00 0.00 66.02 61.85 2dll s SER 6 CO 0.74 -0.74 -0.07 -0.83 1.20 0.00 0.00 173.24 173.54 2dll s GLY 7 N 0.03 0.48 -0.62 9.45 0.00 -1.26 -5.07 107.32 110.33 2dll s GLY 7 Ca 0.56 -0.25 -0.23 0.00 0.00 0.00 0.00 44.72 44.80 2dll s GLY 7 CO 0.52 0.04 0.96 1.25 0.00 0.00 0.00 173.10 175.87 2dll s LYS 8 N 0.35 3.18 -0.04 2.90 2.20 -1.26 -4.89 119.74 122.18 2dll s LYS 8 Ca -0.05 -0.62 -0.24 0.00 -0.36 0.00 0.00 55.97 54.69 2dll s LYS 8 Cb -0.10 -4.17 -0.23 0.00 -1.51 0.00 0.00 37.83 31.83 2dll s LYS 8 CO 0.00 -1.71 1.06 1.25 -0.36 0.00 0.00 175.35 175.59 2dll h LEU 9 N 11.28 0.23 -0.27 5.43 5.85 -1.99 -2.38 115.31 133.46 2dll h LEU 9 Ca -0.28 -0.74 0.02 0.00 0.84 0.00 0.00 57.88 57.72 2dll h LEU 9 Cb 1.07 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 42.00 2dll h LEU 9 CO 1.15 0.95 -0.16 -1.14 -0.34 0.00 0.00 178.44 178.89 2dll n ARG 10 N -4.51 -0.12 0.25 1.25 0.63 -1.26 -0.17 116.66 112.72 2dll n ARG 10 Ca -0.09 1.11 -0.15 0.00 -0.92 0.00 0.00 57.85 57.80 2dll n ARG 10 Cb 0.49 -1.66 -0.08 0.00 0.45 0.00 0.00 32.46 31.66 2dll n ARG 10 CO 0.00 0.00 0.00 0.37 -2.51 0.00 0.00 177.63 175.49 2dll h GLN 11 N 0.00 -0.60 -0.84 -0.14 -0.00 -1.99 -2.05 115.11 109.49 2dll h GLN 11 Ca 0.04 0.04 0.08 0.00 -0.00 0.00 0.00 58.65 58.81 2dll h GLN 11 Cb 0.11 0.14 -0.10 0.00 0.00 0.00 0.00 27.48 27.63 2dll h GLN 11 CO -0.26 -0.31 -0.48 1.87 0.00 0.00 0.00 178.83 179.65 2dll n TRP 12 N -5.28 -0.34 0.22 3.99 -0.00 -0.90 -0.14 117.44 114.98 2dll n TRP 12 Ca -0.11 1.04 -0.15 0.00 -0.00 0.00 0.00 57.50 58.28 2dll n TRP 12 Cb 0.30 -0.58 -0.08 0.00 -0.00 0.00 0.00 31.31 30.94 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 -0.43 -0.88 5.87 5.85 -0.58 -2.68 115.31 122.45 2dll h LEU 13 Ca 0.14 0.02 0.24 0.00 0.84 0.00 0.00 57.88 59.12 2dll h LEU 13 Cb 0.35 0.12 -0.14 0.00 0.37 0.00 0.00 40.66 41.36 2dll h LEU 13 CO -0.79 -0.30 0.24 0.40 -0.34 0.00 0.00 178.44 177.65 2dll h ILE 14 N -0.49 0.31 -0.63 4.05 2.04 -0.05 0.65 117.51 123.38 2dll h ILE 14 Ca -0.05 -0.07 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 2dll h ILE 14 Cb 0.38 0.09 -0.03 0.00 -0.74 0.00 0.00 36.82 36.52 2dll h ILE 14 CO 0.07 0.04 0.34 -0.78 0.00 0.00 0.00 178.15 177.82 2dll h ASP 15 N 0.20 0.78 -0.39 1.72 1.82 -0.22 0.84 116.42 121.17 2dll h ASP 15 Ca 0.55 -0.06 -0.07 0.00 -0.39 0.00 0.00 57.03 57.06 2dll h ASP 15 Cb 1.12 -0.20 -0.01 0.00 0.68 0.00 0.00 39.33 40.92 2dll h ASP 15 CO -0.66 0.64 -0.03 1.56 -1.61 0.00 0.00 179.24 179.15 2dll h GLN 16 N 0.88 0.71 -0.19 0.28 1.08 0.57 -1.27 115.11 117.17 2dll h GLN 16 Ca 0.22 -0.24 -0.08 0.00 -1.45 0.00 0.00 58.65 57.11 2dll h GLN 16 Cb 0.04 -0.06 -0.00 0.00 -0.05 0.00 0.00 27.48 27.41 2dll h GLN 16 CO -0.04 0.82 -0.18 0.82 -0.95 0.00 0.00 178.83 179.30 2dll h ILE 17 N 0.53 1.33 -0.33 2.54 2.04 -0.85 -2.74 117.51 120.03 2dll h ILE 17 Ca 0.11 -1.34 0.02 0.00 1.00 0.00 0.00 64.86 64.65 2dll h ILE 17 Cb 0.51 1.77 -0.02 0.00 -0.74 0.00 0.00 36.82 38.34 2dll h ILE 17 CO 0.03 0.40 0.18 -0.78 0.00 0.00 0.00 178.15 177.98 2dll h ASP 18 N 0.13 0.29 -0.41 1.72 1.82 -0.83 -2.01 116.42 117.15 2dll h ASP 18 Ca 0.03 0.01 0.03 0.00 -0.39 0.00 0.00 57.03 56.70 2dll h ASP 18 Cb 0.72 -0.05 -0.02 0.00 0.68 0.00 0.00 39.33 40.65 2dll h ASP 18 CO 0.05 0.21 0.27 0.77 -1.61 0.00 0.00 179.24 178.93 2dll h SER 19 N 0.38 0.39 -1.84 2.28 4.64 -1.24 -3.46 113.55 114.69 2dll h SER 19 Ca 0.13 -0.01 -0.30 0.00 -0.47 0.00 0.00 61.79 61.14 2dll h SER 19 Cb 0.02 -0.09 -0.04 0.00 -0.31 0.00 0.00 62.40 61.98 2dll h SER 19 CO -0.07 0.27 -0.37 0.61 -0.87 0.00 0.00 176.83 176.41 2dll n GLY 20 N -1.49 0.14 0.22 -0.77 0.00 -0.76 -4.90 105.19 97.63 2dll n GLY 20 Ca 0.04 -0.26 -0.14 0.00 0.00 0.00 0.00 46.02 45.65 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 0.72 -6.33 1.61 1.57 -1.86 -3.44 116.57 108.83 2dll h LYS 21 Ca -0.35 -0.53 -0.56 0.00 -1.87 0.00 0.00 60.65 57.34 2dll h LYS 21 Cb 1.20 0.09 -0.04 0.00 0.08 0.00 0.00 32.23 33.57 2dll h LYS 21 CO 0.43 1.15 -0.08 0.71 -0.57 0.00 0.00 179.45 181.09 2dll s TYR 22 N -3.86 3.60 0.64 -1.35 1.51 -1.26 -5.07 117.35 111.57 2dll s TYR 22 Ca -0.09 1.06 -0.16 0.00 -1.01 0.00 0.00 57.07 56.88 2dll s TYR 22 Cb 0.10 -2.37 -0.01 0.00 -0.11 0.00 0.00 41.96 39.57 2dll s TYR 22 CO 0.88 0.42 1.11 -1.25 -1.11 0.00 0.00 175.55 175.61 2dll s PRO 23 N -1.98 2.87 0.00 -1.71 0.04 -1.26 -3.66 135.00 129.30 2dll s PRO 23 Ca 0.38 1.42 0.00 0.00 0.04 0.00 0.00 61.00 62.84 2dll s PRO 23 Cb -0.15 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.43 2dll s PRO 23 CO 0.19 -1.20 0.00 0.41 0.04 0.00 0.00 177.00 176.44 2dll n GLY 24 N -0.44 1.12 3.56 0.56 0.00 -1.26 -4.69 105.19 104.04 2dll n GLY 24 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 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 3.41 -0.06 0.99 2.96 -1.23 -4.64 118.68 120.10 2dll s LEU 25 Ca 0.00 1.19 -0.14 0.00 -0.22 0.00 0.00 54.13 54.96 2dll s LEU 25 Cb 0.00 -2.74 0.03 0.00 0.50 0.00 0.00 46.19 43.97 2dll s LEU 25 CO 0.00 -2.62 0.32 0.68 -1.32 0.00 0.00 176.35 173.41 2dll s VAL 26 N 11.01 0.04 -0.34 1.68 -7.23 -1.18 -4.72 120.40 119.66 2dll s VAL 26 Ca 0.95 -0.29 -0.29 0.00 -1.81 0.00 0.00 61.98 60.54 2dll s VAL 26 Cb -0.20 -0.56 0.01 0.00 0.56 0.00 0.00 36.38 36.19 2dll s VAL 26 CO 0.28 -0.16 1.24 0.26 -0.31 0.00 0.00 175.10 176.40 2dll s TRP 27 N -0.75 2.78 0.54 2.82 0.52 -1.26 -1.60 118.94 121.99 2dll s TRP 27 Ca -0.08 0.90 0.25 0.00 0.02 0.00 0.00 56.10 57.19 2dll s TRP 27 Cb -0.04 -3.97 1.41 0.00 -1.15 0.00 0.00 33.47 29.71 2dll s TRP 27 CO 0.03 -1.46 2.01 0.93 0.02 0.00 0.00 176.95 178.48 2dll h GLU 28 N 9.14 0.00 -5.45 4.98 5.08 -1.28 -3.43 114.58 123.62 2dll h GLU 28 Ca -0.25 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.54 2dll h GLU 28 Cb 1.08 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.20 2dll h GLU 28 CO 1.05 0.00 -0.59 0.54 -1.00 0.00 0.00 179.01 179.01 2dll s ASN 29 N -6.21 3.31 0.07 1.42 2.20 -1.24 -5.06 114.94 109.44 2dll s ASN 29 Ca -0.05 -1.40 -0.06 0.00 -0.94 0.00 0.00 52.86 50.41 2dll s ASN 29 Cb 0.19 -0.20 -0.28 0.00 -2.00 0.00 0.00 41.25 38.96 2dll s ASN 29 CO 0.71 -0.55 1.13 -0.33 -2.94 0.00 0.00 177.10 175.12 2dll h GLU 30 N 1.87 0.32 0.00 3.55 5.08 -1.93 -3.21 114.58 120.25 2dll h GLU 30 Ca -0.43 -0.53 0.00 0.00 -1.00 0.00 0.00 59.36 57.41 2dll h GLU 30 Cb 1.25 0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.69 2dll h GLU 30 CO 0.76 1.25 0.23 -0.85 -1.00 0.00 0.00 179.01 179.39 2dll n GLU 31 N -3.57 0.10 -2.63 2.33 0.28 -1.26 -4.77 120.64 111.11 2dll n GLU 31 Ca -0.09 0.57 -0.17 0.00 -0.16 0.00 0.00 57.16 57.31 2dll n GLU 31 Cb 1.02 -2.04 0.01 0.00 1.43 0.00 0.00 31.44 31.86 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 -2.06 -2.82 -0.11 3.44 4.76 -1.21 -4.91 118.16 115.24 2dll n LYS 32 Ca -0.01 0.73 -0.20 0.00 -2.87 0.00 0.00 58.31 55.96 2dll n LYS 32 Cb 0.25 -5.15 -0.12 0.00 -1.84 0.00 0.00 35.03 28.17 2dll n LYS 32 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 2dll n SER 33 N -1.35 2.00 -4.54 4.39 7.64 -1.26 -4.96 113.62 115.54 2dll n SER 33 Ca -0.13 -0.01 -0.33 0.00 1.01 0.00 0.00 58.87 59.42 2dll n SER 33 Cb 0.61 -0.55 -0.12 0.00 -1.01 0.00 0.00 64.21 63.14 2dll n SER 33 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2dll s ILE 34 N -2.52 3.37 0.29 0.44 1.09 -1.26 -2.81 121.20 119.79 2dll s ILE 34 Ca -0.33 -0.73 -0.01 0.00 -1.10 0.00 0.00 60.65 58.48 2dll s ILE 34 Cb 0.09 -2.39 -0.02 0.00 -1.06 0.00 0.00 42.46 39.09 2dll s ILE 34 CO 0.62 0.51 0.34 0.72 -0.10 0.00 0.00 174.94 177.02 2dll s PHE 35 N -0.85 1.15 -0.04 3.97 -0.71 -1.22 -0.82 117.98 119.46 2dll s PHE 35 Ca 0.14 -1.32 0.03 0.00 -1.04 0.00 0.00 56.93 54.74 2dll s PHE 35 Cb -0.11 -0.31 0.00 0.00 -1.21 0.00 0.00 43.02 41.39 2dll s PHE 35 CO 0.03 -0.92 -0.12 -0.98 -1.34 0.00 0.00 175.22 171.89 2dll s ARG 36 N -3.58 1.41 -0.12 1.99 1.70 -0.63 -2.47 118.95 117.25 2dll s ARG 36 Ca 0.34 -0.42 0.00 0.00 -0.47 0.00 0.00 55.73 55.18 2dll s ARG 36 Cb 0.02 -1.23 -0.02 0.00 -0.57 0.00 0.00 34.95 33.15 2dll s ARG 36 CO 0.18 0.13 -0.13 -1.50 -1.08 0.00 0.00 175.30 172.90 2dll s ILE 37 N 0.28 3.06 -0.19 4.99 2.07 -0.30 -3.10 121.20 128.01 2dll s ILE 37 Ca -0.06 -0.67 -0.29 0.00 -1.41 0.00 0.00 60.65 58.22 2dll s ILE 37 Cb -0.11 -2.27 -0.03 0.00 0.13 0.00 0.00 42.46 40.17 2dll s ILE 37 CO 0.02 0.53 1.59 -2.16 -1.91 0.00 0.00 174.94 173.01 2dll s PRO 38 N 0.19 3.89 -0.15 3.50 0.04 -1.26 0.30 135.00 141.51 2dll s PRO 38 Ca -0.08 1.74 0.13 0.00 0.04 0.00 0.00 61.00 62.83 2dll s PRO 38 Cb -0.15 -4.01 0.64 0.00 0.04 0.00 0.00 34.50 31.02 2dll s PRO 38 CO 0.05 -1.18 1.50 1.87 0.04 0.00 0.00 177.00 179.28 2dll n TRP 39 N 8.11 1.49 -1.69 0.56 -0.00 -0.95 -4.93 117.44 120.01 2dll n TRP 39 Ca 0.18 -0.55 -0.44 0.00 -0.00 0.00 0.00 57.50 56.70 2dll n TRP 39 Cb 0.45 -0.33 -0.03 0.00 -0.00 0.00 0.00 31.31 31.40 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 0.70 2.37 -2.35 5.87 5.02 -1.26 -4.97 118.16 123.54 2dll n LYS 40 Ca 0.22 0.85 -0.25 0.00 -2.02 0.00 0.00 58.31 57.11 2dll n LYS 40 Cb 0.90 -2.61 0.05 0.00 -0.02 0.00 0.00 35.03 33.35 2dll n LYS 40 CO 0.00 0.00 0.00 -3.38 -0.52 0.00 0.00 177.40 173.50 2dll s HIS 41 N 0.58 2.99 -0.24 2.13 -3.43 -1.26 -5.07 115.29 110.98 2dll s HIS 41 Ca 0.73 0.39 -0.07 0.00 -0.80 0.00 0.00 55.06 55.31 2dll s HIS 41 Cb -0.60 -2.98 -0.03 0.00 -1.43 0.00 0.00 32.58 27.54 2dll s HIS 41 CO 0.41 -1.15 0.06 0.00 -2.00 0.00 0.00 174.74 172.07 2dll s ALA 42 N -3.08 3.17 -0.07 -1.38 0.00 -1.26 -4.95 121.76 114.19 2dll s ALA 42 Ca 0.58 -1.07 -0.00 0.00 0.00 0.00 0.00 51.96 51.46 2dll s ALA 42 Cb -0.11 -2.02 -0.04 0.00 0.00 0.00 0.00 23.12 20.95 2dll s ALA 42 CO 0.43 -0.38 -0.07 0.41 0.00 0.00 0.00 175.76 176.16 2dll n GLY 43 N 4.70 -0.10 3.90 0.00 0.00 -1.26 -5.05 105.19 107.38 2dll n GLY 43 Ca -0.16 -0.04 -0.28 0.00 0.00 0.00 0.00 46.02 45.54 2dll n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dll s LYS 44 N -2.14 3.56 -0.09 1.61 -0.14 -1.26 -5.02 119.74 116.26 2dll s LYS 44 Ca -0.10 0.24 0.02 0.00 -1.36 0.00 0.00 55.97 54.77 2dll s LYS 44 Cb 0.03 -2.36 -0.06 0.00 -1.68 0.00 0.00 37.83 33.75 2dll s LYS 44 CO 0.16 -0.21 -0.06 0.94 -0.76 0.00 0.00 175.35 175.42 2dll n GLN 45 N -2.23 0.75 0.14 1.68 -0.06 -1.26 -4.60 117.38 111.80 2dll n GLN 45 Ca 0.01 0.04 0.07 0.00 -2.00 0.00 0.00 57.00 55.12 2dll n GLN 45 Cb 0.55 -1.18 0.55 0.00 -4.06 0.00 0.00 30.24 26.10 2dll n GLN 45 CO 0.00 0.00 0.00 0.22 -0.20 0.00 0.00 177.06 177.08 2dll h ASP 46 N 0.00 0.20 -3.28 1.69 1.82 -2.06 -3.44 116.42 111.35 2dll h ASP 46 Ca -0.20 -0.00 -0.41 0.00 -0.39 0.00 0.00 57.03 56.02 2dll h ASP 46 Cb 1.33 -0.05 0.20 0.00 0.68 0.00 0.00 39.33 41.50 2dll h ASP 46 CO -0.02 0.14 0.00 -0.72 -1.61 0.00 0.00 179.24 177.03 2dll s TYR 47 N -5.25 0.60 -0.57 0.28 1.13 -1.26 -4.94 117.35 107.34 2dll s TYR 47 Ca -0.06 0.81 -0.21 0.00 -1.41 0.00 0.00 57.07 56.20 2dll s TYR 47 Cb 0.17 -3.10 0.07 0.00 -1.10 0.00 0.00 41.96 38.00 2dll s TYR 47 CO 0.70 -4.19 0.77 -0.80 -2.51 0.00 0.00 175.55 169.52 2dll s ASN 48 N -3.08 6.22 -0.03 -0.18 0.01 -1.26 -4.87 114.94 111.75 2dll s ASN 48 Ca 0.69 -0.95 0.06 0.00 -0.71 0.00 0.00 52.86 51.95 2dll s ASN 48 Cb -0.18 -2.35 -0.24 0.00 0.41 0.00 0.00 41.25 38.90 2dll s ASN 48 CO 0.60 -1.12 0.72 0.08 -1.51 0.00 0.00 177.10 175.87 2dll h ARG 49 N 9.22 0.09 -0.58 -0.60 -0.00 -1.92 -3.30 114.38 117.29 2dll h ARG 49 Ca -0.28 -0.15 0.14 0.00 -0.00 0.00 0.00 59.98 59.69 2dll h ARG 49 Cb 1.08 0.06 -0.03 0.00 -0.00 0.00 0.00 29.97 31.08 2dll h ARG 49 CO 1.06 0.78 0.40 1.49 -0.00 0.00 0.00 179.97 183.71 2dll h GLU 50 N 0.02 0.15 0.04 0.08 4.81 -1.93 0.79 114.58 118.55 2dll h GLU 50 Ca -0.27 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 58.95 2dll h GLU 50 Cb 1.99 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 31.34 2dll h GLU 50 CO 0.10 0.10 -0.02 1.49 -0.73 0.00 0.00 179.01 179.95 2dll h GLU 51 N 0.16 -0.05 -0.83 1.92 4.57 -1.98 -1.08 114.58 117.28 2dll h GLU 51 Ca 0.28 0.00 0.17 0.00 -1.18 0.00 0.00 59.36 58.63 2dll h GLU 51 Cb 0.88 0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 29.42 2dll h GLU 51 CO -0.04 0.32 0.55 0.38 -1.18 0.00 0.00 179.01 179.04 2dll h ASP 52 N -0.99 0.42 -0.47 1.04 3.04 -1.55 0.27 116.42 118.17 2dll h ASP 52 Ca -0.01 0.03 0.00 0.00 -3.24 0.00 0.00 57.03 53.82 2dll h ASP 52 Cb 0.39 -0.05 0.00 0.00 -1.04 0.00 0.00 39.33 38.63 2dll h ASP 52 CO 0.01 0.19 0.00 0.00 -2.04 0.00 0.00 179.24 177.40 2dll n ALA 53 N -2.51 3.27 -0.28 4.15 0.00 0.24 -4.58 120.51 120.79 2dll n ALA 53 Ca 0.17 -1.91 0.02 0.00 0.00 0.00 0.00 53.44 51.72 2dll n ALA 53 Cb 0.60 -0.91 0.16 0.00 0.00 0.00 0.00 19.45 19.30 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 3.16 1.13 0.13 0.00 0.00 0.91 -1.51 119.26 123.08 2dll h ALA 54 Ca 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2dll h ALA 54 Cb 1.58 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.26 2dll h ALA 54 CO 0.30 0.07 -0.06 1.25 0.00 0.00 0.00 179.25 180.81 2dll h LEU 55 N 0.75 -0.15 -0.69 0.00 5.85 -1.81 -2.43 115.31 116.83 2dll h LEU 55 Ca 0.39 -0.14 0.13 0.00 0.84 0.00 0.00 57.88 59.09 2dll h LEU 55 Cb 0.36 0.04 -0.09 0.00 0.37 0.00 0.00 40.66 41.34 2dll h LEU 55 CO -0.25 0.05 0.24 -0.26 -0.34 0.00 0.00 178.44 177.89 2dll h PHE 56 N -0.35 0.41 0.38 1.25 0.04 -1.78 -2.25 116.94 114.65 2dll h PHE 56 Ca -0.02 0.04 -0.01 0.00 2.80 0.00 0.00 57.97 60.78 2dll h PHE 56 Cb 0.28 -0.08 -0.01 0.00 2.20 0.00 0.00 35.95 38.34 2dll h PHE 56 CO -0.02 0.04 -0.30 0.87 -0.60 0.00 0.00 178.31 178.31 2dll h LYS 57 N 0.39 -0.65 -0.86 1.51 1.57 -1.16 -2.51 116.57 114.86 2dll h LYS 57 Ca 0.37 0.04 0.29 0.00 -1.87 0.00 0.00 60.65 59.49 2dll h LYS 57 Cb 0.55 0.15 -0.16 0.00 0.08 0.00 0.00 32.23 32.85 2dll h LYS 57 CO -0.39 -0.44 0.22 0.00 -0.57 0.00 0.00 179.45 178.28 2dll n ALA 58 N -2.54 0.64 0.30 3.86 0.00 -0.85 0.34 120.51 122.26 2dll n ALA 58 Ca -0.10 0.90 -0.16 0.00 0.00 0.00 0.00 53.44 54.07 2dll n ALA 58 Cb 0.32 -0.76 -0.08 0.00 0.00 0.00 0.00 19.45 18.92 2dll n ALA 58 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 2dll h TRP 59 N 0.00 -0.69 -0.71 0.00 -0.00 -1.36 0.24 115.95 113.43 2dll h TRP 59 Ca 0.62 -0.02 0.07 0.00 -0.00 0.00 0.00 58.89 59.56 2dll h TRP 59 Cb 1.47 0.23 -0.06 0.00 -0.00 0.00 0.00 29.16 30.79 2dll h TRP 59 CO -0.24 -0.39 0.40 0.00 -0.00 0.00 0.00 178.44 178.20 2dll h ALA 60 N -0.41 0.96 -0.22 2.65 0.00 -0.00 0.21 119.26 122.44 2dll h ALA 60 Ca -0.08 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2dll h ALA 60 Cb 0.60 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2dll h ALA 60 CO 0.12 0.07 0.04 -0.07 0.00 0.00 0.00 179.25 179.42 2dll h LEU 61 N 0.72 0.35 0.51 0.00 3.38 -0.67 0.19 115.31 119.79 2dll h LEU 61 Ca 0.32 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 2dll h LEU 61 Cb 0.22 -0.09 0.01 0.00 0.09 0.00 0.00 40.66 40.88 2dll h LEU 61 CO -0.20 0.51 -0.25 0.15 0.09 0.00 0.00 178.44 178.75 2dll h PHE 62 N 0.18 -0.64 0.61 1.13 3.57 -0.04 -3.32 116.94 118.43 2dll h PHE 62 Ca 0.07 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.52 2dll h PHE 62 Cb 0.31 0.21 0.01 0.00 2.79 0.00 0.00 35.95 39.26 2dll h PHE 62 CO 0.02 -0.35 -0.29 0.87 -2.23 0.00 0.00 178.31 176.32 2dll h LYS 63 N -0.80 -0.79 0.00 1.11 1.79 -0.64 -3.46 116.57 113.78 2dll h LYS 63 Ca -0.07 0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 2dll h LYS 63 Cb 0.58 0.18 0.00 0.00 -1.58 0.00 0.00 32.23 31.41 2dll h LYS 63 CO 0.12 -0.53 0.00 0.41 -1.08 0.00 0.00 179.45 178.37 2dll n GLY 64 N -1.29 2.00 2.61 3.86 0.00 0.68 -4.99 105.19 108.06 2dll n GLY 64 Ca -0.10 -1.84 -0.26 0.00 0.00 0.00 0.00 46.02 43.82 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 4.32 0.08 -0.38 1.61 -0.14 -1.25 -4.56 119.74 119.42 2dll s LYS 65 Ca 0.00 -0.10 -0.05 0.00 -1.36 0.00 0.00 55.97 54.46 2dll s LYS 65 Cb 0.00 -1.72 0.08 0.00 -1.68 0.00 0.00 37.83 34.51 2dll s LYS 65 CO 0.00 -0.70 0.16 0.12 -0.76 0.00 0.00 175.35 174.17 2dll s PHE 66 N 2.15 3.39 -0.40 3.18 5.36 -1.26 -5.04 117.98 125.36 2dll s PHE 66 Ca 0.03 -1.86 -0.27 0.00 -0.96 0.00 0.00 56.93 53.87 2dll s PHE 66 Cb -0.16 -2.74 -0.04 0.00 -0.34 0.00 0.00 43.02 39.74 2dll s PHE 66 CO -0.12 -0.86 2.11 0.50 -1.46 0.00 0.00 175.22 175.39 2dll s ARG 67 N 1.30 2.78 -0.04 10.12 6.06 -1.26 -4.91 118.95 133.00 2dll s ARG 67 Ca 0.02 1.44 -0.30 0.00 -2.50 0.00 0.00 55.73 54.40 2dll s ARG 67 Cb -0.22 -4.39 -0.06 0.00 0.06 0.00 0.00 34.95 30.33 2dll s ARG 67 CO -0.00 -2.51 1.77 -2.00 -2.50 0.00 0.00 175.30 170.06 2dll s GLU 68 N 6.87 4.11 0.00 5.12 -6.30 -1.26 -0.99 118.70 126.25 2dll s GLU 68 Ca 0.89 2.29 0.00 0.00 -2.50 0.00 0.00 54.97 55.65 2dll s GLU 68 Cb -0.22 -4.06 0.00 0.00 0.00 0.00 0.00 34.13 29.85 2dll s GLU 68 CO 0.29 -0.95 0.00 0.41 0.02 0.00 0.00 175.26 175.04 2dll n GLY 69 N 4.35 2.89 0.06 -1.50 0.00 -1.26 -4.77 105.19 104.95 2dll n GLY 69 Ca 0.19 -0.74 -0.13 0.00 0.00 0.00 0.00 46.02 45.33 2dll n GLY 69 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2dll h ILE 70 N 0.00 1.55 -3.56 -0.61 2.04 -1.95 -3.44 117.51 111.54 2dll h ILE 70 Ca 0.00 -1.62 -0.52 0.00 1.00 0.00 0.00 64.86 63.72 2dll h ILE 70 Cb 0.00 2.65 -0.02 0.00 -0.74 0.00 0.00 36.82 38.71 2dll h ILE 70 CO 0.00 0.42 0.38 -1.81 0.00 0.00 0.00 178.15 177.14 2dll s ASP 71 N -5.91 7.46 -0.10 1.72 1.11 -0.16 -4.99 116.67 115.80 2dll s ASP 71 Ca -0.17 1.84 -0.29 0.00 0.18 0.00 0.00 52.55 54.10 2dll s ASP 71 Cb -0.00 -2.59 -0.04 0.00 1.07 0.00 0.00 42.92 41.36 2dll s ASP 71 CO 0.68 -0.09 1.50 -0.75 1.18 0.00 0.00 175.17 177.69 2dll s LYS 72 N -0.03 4.19 0.43 8.23 2.36 -1.26 -4.83 119.74 128.83 2dll s LYS 72 Ca 0.47 1.98 -0.24 0.00 -2.55 0.00 0.00 55.97 55.63 2dll s LYS 72 Cb -0.24 -3.90 -0.08 0.00 -1.05 0.00 0.00 37.83 32.55 2dll s LYS 72 CO 0.31 -0.80 1.18 -1.25 1.55 0.00 0.00 175.35 176.33 2dll s PRO 73 N 3.84 3.91 -0.28 4.03 0.04 -1.26 -5.04 135.00 140.24 2dll s PRO 73 Ca 0.66 1.83 0.02 0.00 0.04 0.00 0.00 61.00 63.55 2dll s PRO 73 Cb -0.29 -2.56 0.17 0.00 0.04 0.00 0.00 34.50 31.86 2dll s PRO 73 CO 0.24 -0.44 0.45 0.34 0.04 0.00 0.00 177.00 177.62 2dll s ASP 74 N -1.21 -0.07 0.28 6.66 2.15 -1.26 -5.03 116.67 118.18 2dll s ASP 74 Ca 0.60 -0.13 0.01 0.00 0.43 0.00 0.00 52.55 53.46 2dll s ASP 74 Cb -0.30 1.32 0.66 0.00 -0.30 0.00 0.00 42.92 44.30 2dll s ASP 74 CO 0.38 -0.33 1.69 -0.65 -0.17 0.00 0.00 175.17 176.08 2dll h PRO 75 N 8.13 0.34 -1.04 4.34 0.11 -1.98 -0.41 132.00 141.48 2dll h PRO 75 Ca -0.10 -0.02 0.27 0.00 0.11 0.00 0.00 66.00 66.27 2dll h PRO 75 Cb 1.14 -0.08 -0.11 0.00 0.11 0.00 0.00 31.00 32.06 2dll h PRO 75 CO 0.25 0.22 0.64 -1.35 -0.21 0.00 0.00 178.00 177.55 2dll h PRO 76 N 0.35 0.44 0.03 1.05 0.11 -1.99 0.21 132.00 132.19 2dll h PRO 76 Ca 0.52 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.61 2dll h PRO 76 Cb 0.98 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.99 2dll h PRO 76 CO -0.54 0.29 -0.01 1.15 -0.21 0.00 0.00 178.00 178.68 2dll h THR 77 N 0.45 1.40 0.14 -1.15 2.02 -1.51 -2.65 112.91 111.61 2dll h THR 77 Ca 0.64 -1.40 0.00 0.00 0.77 0.00 0.00 66.41 66.42 2dll h THR 77 Cb 1.47 2.33 -0.01 0.00 -1.74 0.00 0.00 68.15 70.20 2dll h THR 77 CO -0.41 0.35 -0.13 -0.50 0.37 0.00 0.00 175.52 175.21 2dll h TRP 78 N -0.65 -0.33 0.15 3.16 6.55 -1.15 0.35 115.95 124.03 2dll h TRP 78 Ca -0.00 0.00 0.01 0.00 0.95 0.00 0.00 58.89 59.85 2dll h TRP 78 Cb 0.61 0.13 -0.05 0.00 -0.86 0.00 0.00 29.16 28.99 2dll h TRP 78 CO 0.13 -0.20 -0.48 0.87 -1.05 0.00 0.00 178.44 177.71 2dll h LYS 79 N -0.29 -0.71 -0.36 0.49 1.57 -0.74 -2.29 116.57 114.24 2dll h LYS 79 Ca 0.00 0.05 0.07 0.00 -1.87 0.00 0.00 60.65 58.90 2dll h LYS 79 Cb 0.27 0.16 -0.06 0.00 0.08 0.00 0.00 32.23 32.68 2dll h LYS 79 CO -0.03 -0.47 -0.01 1.15 -0.57 0.00 0.00 179.45 179.52 2dll h THR 80 N -0.74 0.72 -0.60 -0.16 2.02 -1.39 0.13 112.91 112.89 2dll h THR 80 Ca 0.00 -0.03 0.06 0.00 0.77 0.00 0.00 66.41 67.21 2dll h THR 80 Cb 0.74 0.62 -0.09 0.00 -1.74 0.00 0.00 68.15 67.68 2dll h THR 80 CO -0.25 0.02 -0.54 0.03 0.37 0.00 0.00 175.52 175.14 2dll h ARG 81 N 0.09 -0.22 -0.66 6.66 3.08 -0.48 0.26 114.38 123.10 2dll h ARG 81 Ca 0.18 0.02 -0.08 0.00 0.07 0.00 0.00 59.98 60.17 2dll h ARG 81 Cb 0.25 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.32 2dll h ARG 81 CO -0.30 -0.15 0.12 1.25 -1.07 0.00 0.00 179.97 179.82 2dll h LEU 82 N -0.23 1.04 -0.84 3.04 5.85 -1.13 -2.63 115.31 120.41 2dll h LEU 82 Ca 0.10 -0.26 0.14 0.00 0.84 0.00 0.00 57.88 58.70 2dll h LEU 82 Cb 0.50 -0.28 -0.09 0.00 0.37 0.00 0.00 40.66 41.16 2dll h LEU 82 CO -0.69 1.03 0.43 -0.09 -0.34 0.00 0.00 178.44 178.79 2dll h ARG 83 N 1.01 0.62 -0.19 1.25 9.65 1.00 0.68 114.38 128.40 2dll h ARG 83 Ca 0.20 -0.04 -0.05 0.00 -1.10 0.00 0.00 59.98 58.99 2dll h ARG 83 Cb 0.43 -0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 28.86 2dll h ARG 83 CO 0.01 0.41 -0.09 0.00 2.80 0.00 0.00 179.97 183.11 2dll h ALA 85 N 0.70 -0.56 -0.71 0.00 0.00 -0.96 -0.46 119.26 117.27 2dll h ALA 85 Ca 0.04 -0.09 0.12 0.00 0.00 0.00 0.00 54.91 54.98 2dll h ALA 85 Cb 0.57 0.35 -0.13 0.00 0.00 0.00 0.00 17.79 18.58 2dll h ALA 85 CO 0.03 -0.84 -0.36 1.25 0.00 0.00 0.00 179.25 179.33 2dll h LEU 86 N -0.57 -1.27 -0.44 0.00 5.85 -0.95 0.31 115.31 118.24 2dll h LEU 86 Ca -0.02 0.25 -0.00 0.00 0.84 0.00 0.00 57.88 58.95 2dll h LEU 86 Cb 0.51 0.64 -0.02 0.00 0.37 0.00 0.00 40.66 42.15 2dll h LEU 86 CO -0.02 -0.30 0.26 -1.13 -0.34 0.00 0.00 178.44 176.90 2dll h ASN 87 N -0.12 0.53 -0.78 1.25 -0.73 -1.42 -2.68 115.58 111.63 2dll h ASN 87 Ca 0.26 -0.07 0.08 0.00 1.87 0.00 0.00 56.30 58.44 2dll h ASN 87 Cb 0.56 -0.14 -0.07 0.00 0.27 0.00 0.00 38.32 38.95 2dll h ASN 87 CO -0.77 0.45 0.45 0.11 -0.37 0.00 0.00 177.43 177.29 2dll h LYS 88 N 0.58 0.76 -5.85 6.67 1.79 0.84 -3.40 116.57 117.95 2dll h LYS 88 Ca 0.16 -0.05 -0.61 0.00 -2.18 0.00 0.00 60.65 57.97 2dll h LYS 88 Cb 0.02 -0.17 -0.02 0.00 -1.58 0.00 0.00 32.23 30.48 2dll h LYS 88 CO -0.03 0.50 1.49 0.45 -1.08 0.00 0.00 179.45 180.79 2dll n SER 89 N -4.74 2.23 0.09 0.86 2.88 0.87 -4.80 113.62 111.01 2dll n SER 89 Ca 0.12 0.21 -0.04 0.00 -1.33 0.00 0.00 58.87 57.83 2dll n SER 89 Cb 0.23 -1.34 -0.01 0.00 -0.75 0.00 0.00 64.21 62.33 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 13.98 0.00 0.00 -3.46 2.35 -1.86 -3.06 115.58 123.53 2dll h ASN 90 Ca -0.28 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.47 2dll h ASN 90 Cb 1.30 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.67 2dll h ASN 90 CO 1.06 0.84 0.00 0.47 -1.65 0.00 0.00 177.43 178.15 2dll n ASP 91 N -3.47 0.00 -4.28 5.81 9.92 -1.26 -4.70 116.55 118.57 2dll n ASP 91 Ca -0.00 -1.46 -0.31 0.00 -0.53 0.00 0.00 54.79 52.48 2dll n ASP 91 Cb 0.82 0.00 -0.16 0.00 -0.64 0.00 0.00 41.12 41.14 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 -2.00 2.44 -0.05 1.24 0.40 -1.16 0.12 117.98 118.98 2dll s PHE 92 Ca 0.09 -0.69 0.02 0.00 -0.60 0.00 0.00 56.93 55.75 2dll s PHE 92 Cb 0.04 -1.59 -0.03 0.00 0.51 0.00 0.00 43.02 41.95 2dll s PHE 92 CO 0.07 -0.20 -0.09 -2.00 0.70 0.00 0.00 175.22 173.71 2dll s GLU 93 N -0.21 2.63 -0.38 0.44 2.12 0.81 -4.86 118.70 119.26 2dll s GLU 93 Ca -0.02 -0.63 -0.20 0.00 0.36 0.00 0.00 54.97 54.48 2dll s GLU 93 Cb -0.13 -2.52 0.01 0.00 0.26 0.00 0.00 34.13 31.75 2dll s GLU 93 CO 0.03 0.64 0.60 -2.00 -0.54 0.00 0.00 175.26 173.99 2dll s GLU 94 N -0.95 3.54 -0.53 4.30 2.12 -1.26 -0.16 118.70 125.77 2dll s GLU 94 Ca 0.13 -0.14 -0.17 0.00 0.36 0.00 0.00 54.97 55.16 2dll s GLU 94 Cb -0.11 -3.85 0.10 0.00 0.26 0.00 0.00 34.13 30.53 2dll s GLU 94 CO 0.03 -0.78 0.53 -0.51 -0.54 0.00 0.00 175.26 173.98 2dll s LEU 95 N 2.63 5.74 -0.05 2.70 1.43 0.13 -4.89 118.68 126.37 2dll s LEU 95 Ca 0.22 -1.49 -0.00 0.00 -1.03 0.00 0.00 54.13 51.82 2dll s LEU 95 Cb -0.15 -2.25 -0.26 0.00 0.03 0.00 0.00 46.19 43.56 2dll s LEU 95 CO 0.15 -0.86 0.64 0.58 0.23 0.00 0.00 176.35 177.09 2dll h VAL 96 N 5.86 0.89 -0.97 -1.59 2.07 -1.94 -3.12 116.25 117.45 2dll h VAL 96 Ca -0.29 -2.61 0.23 0.00 0.82 0.00 0.00 66.70 64.85 2dll h VAL 96 Cb 1.10 2.59 -0.12 0.00 -1.52 0.00 0.00 31.29 33.33 2dll h VAL 96 CO 1.00 0.76 0.54 -0.33 0.02 0.00 0.00 177.57 179.56 2dll h GLU 97 N 0.05 0.55 0.00 1.57 5.08 -1.93 0.37 114.58 120.27 2dll h GLU 97 Ca -0.32 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 2dll h GLU 97 Cb 2.02 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 31.15 2dll h GLU 97 CO 0.12 0.36 -0.79 0.00 -1.00 0.00 0.00 179.01 177.69 2dll h ARG 98 N 0.56 0.00 -6.56 2.33 3.08 -1.92 -3.47 114.38 108.41 2dll h ARG 98 Ca 0.61 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 60.13 2dll h ARG 98 Cb 1.12 0.00 0.05 0.00 0.08 0.00 0.00 29.97 31.21 2dll h ARG 98 CO -0.47 0.00 1.08 -1.13 -1.07 0.00 0.00 179.97 178.38 2dll n SER 99 N -2.28 4.04 -4.04 7.04 3.41 0.13 -4.70 113.62 117.22 2dll n SER 99 Ca 0.02 1.01 -0.31 0.00 -0.26 0.00 0.00 58.87 59.33 2dll n SER 99 Cb 0.47 -1.56 -0.15 0.00 -0.26 0.00 0.00 64.21 62.72 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 2.21 1.73 -0.04 4.33 -1.52 -0.59 -4.92 119.66 120.86 2dll s GLN 100 Ca 0.80 -1.71 0.08 0.00 -1.95 0.00 0.00 55.36 52.57 2dll s GLN 100 Cb -0.49 -3.12 0.20 0.00 -0.22 0.00 0.00 33.01 29.38 2dll s GLN 100 CO 0.36 -0.83 1.15 1.28 -0.25 0.00 0.00 175.29 177.00 2dll n LEU 101 N 4.31 2.55 -0.42 2.90 4.77 -1.26 -0.28 117.00 129.56 2dll n LEU 101 Ca -0.02 -2.27 0.05 0.00 -0.03 0.00 0.00 56.01 53.74 2dll n LEU 101 Cb 0.42 -0.20 0.06 0.00 -2.33 0.00 0.00 43.42 41.37 2dll n LEU 101 CO 0.22 0.62 0.45 -0.90 -1.33 0.00 0.00 177.39 176.45 2dll n ASP 102 N -0.32 2.02 -4.95 -1.43 5.75 -1.26 -4.77 116.55 111.59 2dll n ASP 102 Ca 0.08 -1.53 -0.20 0.00 -0.01 0.00 0.00 54.79 53.13 2dll n ASP 102 Cb 0.43 -0.04 -0.02 0.00 -1.03 0.00 0.00 41.12 40.47 2dll n ASP 102 CO 0.00 0.00 0.00 0.27 -0.11 0.00 0.00 177.20 177.36 2dll s ILE 103 N -0.85 4.16 0.11 2.12 -0.00 -1.26 -5.00 121.20 120.48 2dll s ILE 103 Ca 0.13 -1.09 -0.16 0.00 -0.00 0.00 0.00 60.65 59.53 2dll s ILE 103 Cb 0.09 -3.43 0.01 0.00 -0.00 0.00 0.00 42.46 39.13 2dll s ILE 103 CO 0.12 -0.20 0.93 -0.24 -0.00 0.00 0.00 174.94 175.56 2dll n SER 104 N -1.53 -0.57 -4.18 4.36 2.88 -1.26 -3.12 113.62 110.21 2dll n SER 104 Ca -0.02 1.07 -0.38 0.00 -1.33 0.00 0.00 58.87 58.20 2dll n SER 104 Cb 0.58 -0.17 -0.11 0.00 -0.75 0.00 0.00 64.21 63.77 2dll n SER 104 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2dll s ASP 105 N -5.28 5.40 0.51 -3.46 1.11 -1.26 -5.09 116.67 108.60 2dll s ASP 105 Ca -0.08 -1.81 -0.21 0.00 0.18 0.00 0.00 52.55 50.64 2dll s ASP 105 Cb 0.08 -1.89 -0.07 0.00 1.07 0.00 0.00 42.92 42.12 2dll s ASP 105 CO 0.39 -0.55 1.14 -2.16 1.18 0.00 0.00 175.17 175.18 2dll s PRO 106 N 1.26 3.53 -0.07 8.23 0.04 -1.18 -4.88 135.00 141.93 2dll s PRO 106 Ca 0.05 1.68 -0.29 0.00 0.04 0.00 0.00 61.00 62.48 2dll s PRO 106 Cb -0.23 -2.17 0.11 0.00 0.04 0.00 0.00 34.50 32.24 2dll s PRO 106 CO -0.02 -0.72 0.89 1.52 0.04 0.00 0.00 177.00 178.71 2dll s TYR 107 N -1.68 -0.41 -0.15 0.56 -0.85 0.61 -2.25 117.35 113.19 2dll s TYR 107 Ca 0.69 0.53 -0.03 0.00 -0.52 0.00 0.00 57.07 57.74 2dll s TYR 107 Cb -0.26 0.48 -0.03 0.00 0.38 0.00 0.00 41.96 42.54 2dll s TYR 107 CO 0.30 -0.48 -0.04 0.15 -1.52 0.00 0.00 175.55 173.96 2dll s LYS 108 N -2.02 3.58 -0.01 -3.49 1.02 0.15 -1.55 119.74 117.42 2dll s LYS 108 Ca -0.00 -0.51 -0.15 0.00 0.02 0.00 0.00 55.97 55.33 2dll s LYS 108 Cb -0.01 -2.89 -0.06 0.00 -0.52 0.00 0.00 37.83 34.36 2dll s LYS 108 CO -0.02 0.30 0.40 0.08 -0.92 0.00 0.00 175.35 175.19 2dll s VAL 109 N 0.21 5.06 0.28 3.17 1.01 -1.19 -1.15 120.40 127.79 2dll s VAL 109 Ca -0.02 0.81 0.03 0.00 0.00 0.00 0.00 61.98 62.80 2dll s VAL 109 Cb -0.14 -3.70 -0.06 0.00 0.00 0.00 0.00 36.38 32.48 2dll s VAL 109 CO 0.03 0.57 0.06 -0.31 0.00 0.00 0.00 175.10 175.44 2dll s TYR 110 N -0.98 1.72 -0.06 5.22 1.51 -1.03 0.18 117.35 123.90 2dll s TYR 110 Ca 0.23 -1.02 0.00 0.00 -1.01 0.00 0.00 57.07 55.28 2dll s TYR 110 Cb -0.16 -1.06 0.02 0.00 -0.11 0.00 0.00 41.96 40.65 2dll s TYR 110 CO 0.13 -0.12 -0.05 0.50 -1.11 0.00 0.00 175.55 174.90 2dll s ARG 111 N -3.93 1.02 -0.59 -0.62 3.52 0.77 -3.37 118.95 115.74 2dll s ARG 111 Ca 0.35 -0.13 -0.27 0.00 -0.13 0.00 0.00 55.73 55.55 2dll s ARG 111 Cb 0.08 -1.07 0.00 0.00 -1.56 0.00 0.00 34.95 32.40 2dll s ARG 111 CO 0.13 -0.14 1.59 0.42 -0.81 0.00 0.00 175.30 176.48 2dll s ILE 112 N 1.24 3.59 -0.07 4.11 1.01 -1.12 -0.13 121.20 129.82 2dll s ILE 112 Ca -0.05 0.44 -0.30 0.00 0.00 0.00 0.00 60.65 60.74 2dll s ILE 112 Cb -0.14 -4.27 -0.03 0.00 0.01 0.00 0.00 42.46 38.03 2dll s ILE 112 CO -0.02 -1.13 1.15 -0.69 0.00 0.00 0.00 174.94 174.25 2dll s VAL 113 N 7.17 4.40 1.09 2.92 1.01 0.33 -4.96 120.40 132.36 2dll s VAL 113 Ca 0.57 1.71 -0.18 0.00 0.00 0.00 0.00 61.98 64.08 2dll s VAL 113 Cb -0.12 -4.10 0.27 0.00 0.00 0.00 0.00 36.38 32.43 2dll s VAL 113 CO 0.22 -0.01 0.97 -0.81 0.00 0.00 0.00 175.10 175.48 2dll n PRO 114 N 5.21 -2.91 -0.05 2.72 -0.04 -1.26 -4.57 135.00 134.10 2dll n PRO 114 Ca 0.10 -1.55 -0.13 0.00 -0.04 0.00 0.00 63.50 61.89 2dll n PRO 114 Cb 0.47 -1.45 -0.11 0.00 -0.04 0.00 0.00 33.50 32.37 2dll n PRO 114 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2dll h GLU 115 N 0.00 -0.02 -6.23 0.54 4.39 -1.96 -3.46 114.58 107.84 2dll h GLU 115 Ca -0.36 0.00 -0.67 0.00 0.34 0.00 0.00 59.36 58.67 2dll h GLU 115 Cb 1.11 0.00 -0.14 0.00 -0.10 0.00 0.00 28.75 29.62 2dll h GLU 115 CO 0.24 0.76 -0.66 -1.12 -1.16 0.00 0.00 179.01 177.06 2dll s SER 116 N -6.00 4.95 1.15 1.42 0.01 -1.26 -5.12 113.70 108.85 2dll s SER 116 Ca -0.17 -0.08 -0.17 0.00 1.31 0.00 0.00 55.95 56.84 2dll s SER 116 Cb -0.02 -1.23 0.25 0.00 0.21 0.00 0.00 66.02 65.23 2dll s SER 116 CO 0.62 0.26 1.03 0.61 0.41 0.00 0.00 173.24 176.17 2dll n GLY 117 N 1.27 -2.31 0.00 3.44 0.00 -1.26 -4.90 105.19 101.42 2dll n GLY 117 Ca -0.14 -1.56 0.07 0.00 0.00 0.00 0.00 46.02 44.39 2dll n GLY 117 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dll n PRO 118 N -4.12 0.14 -2.81 1.61 -0.04 -1.26 -4.72 135.00 123.79 2dll n PRO 118 Ca 0.14 0.18 -0.41 0.00 -0.04 0.00 0.00 63.50 63.37 2dll n PRO 118 Cb 0.51 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.44 2dll n PRO 118 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2dll s SER 119 N -2.72 7.30 0.21 3.54 0.01 -1.26 -5.04 113.70 115.74 2dll s SER 119 Ca 0.12 1.56 -0.08 0.00 1.31 0.00 0.00 55.95 58.86 2dll s SER 119 Cb 0.10 -2.53 -0.02 0.00 0.21 0.00 0.00 66.02 63.78 2dll s SER 119 CO 0.24 -0.18 0.33 -0.44 0.41 0.00 0.00 173.24 173.60 2dll s SER 120 N 0.71 0.01 0.00 2.44 0.01 -1.26 -5.10 113.70 110.51 2dll s SER 120 Ca 0.47 -1.04 0.00 0.00 1.31 0.00 0.00 55.95 56.68 2dll s SER 120 Cb -0.21 0.49 0.00 0.00 0.21 0.00 0.00 66.02 66.51 2dll s SER 120 CO 0.26 -0.99 0.00 0.61 0.41 0.00 0.00 173.24 173.53