#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 3.71 0.09 1.61 0.15 -1.26 -4.98 113.70 113.02 2dll s SER 2 Ca 0.00 1.34 -0.33 0.00 0.70 0.00 0.00 55.95 57.65 2dll s SER 2 Cb 0.00 -2.02 -0.15 0.00 -1.71 0.00 0.00 66.02 62.14 2dll s SER 2 CO 0.00 -2.47 1.60 -1.28 1.20 0.00 0.00 173.24 172.29 2dll h SER 3 N -1.43 -1.07 0.00 5.45 0.87 -2.08 -3.48 113.55 111.81 2dll h SER 3 Ca -0.49 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.15 2dll h SER 3 Cb 1.29 0.34 0.00 0.00 -0.44 0.00 0.00 62.40 63.59 2dll h SER 3 CO 0.57 -0.57 0.00 0.61 -0.53 0.00 0.00 176.83 176.91 2dll n GLY 4 N -1.51 0.73 0.12 5.77 0.00 -1.26 -5.08 105.19 103.95 2dll n GLY 4 Ca -0.11 -0.53 -0.07 0.00 0.00 0.00 0.00 46.02 45.30 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 0.00 -0.15 -2.95 1.61 0.87 -2.01 -3.45 113.55 107.47 2dll h SER 5 Ca 0.00 -0.26 -0.53 0.00 -1.23 0.00 0.00 61.79 59.76 2dll h SER 5 Cb 0.00 0.04 0.02 0.00 -0.44 0.00 0.00 62.40 62.01 2dll h SER 5 CO 0.00 0.43 0.77 -0.55 -0.53 0.00 0.00 176.83 176.95 2dll s SER 6 N -5.50 6.82 -0.75 6.23 0.15 -1.26 -4.84 113.70 114.55 2dll s SER 6 Ca -0.09 2.26 -0.35 0.00 0.70 0.00 0.00 55.95 58.48 2dll s SER 6 Cb -0.00 -2.58 -0.19 0.00 -1.71 0.00 0.00 66.02 61.54 2dll s SER 6 CO 0.31 -0.69 2.47 0.61 1.20 0.00 0.00 173.24 177.14 2dll n GLY 7 N 3.57 -0.24 3.00 9.45 0.00 -1.26 -4.88 105.19 114.83 2dll n GLY 7 Ca 0.12 1.08 -0.31 0.00 0.00 0.00 0.00 46.02 46.91 2dll n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dll s LYS 8 N 7.84 1.90 -0.19 1.61 -0.14 -1.26 -4.98 119.74 124.52 2dll s LYS 8 Ca 1.26 -1.15 -0.15 0.00 -1.36 0.00 0.00 55.97 54.57 2dll s LYS 8 Cb -1.19 -2.73 -0.21 0.00 -1.68 0.00 0.00 37.83 32.03 2dll s LYS 8 CO 0.52 -0.59 0.18 -0.11 -0.76 0.00 0.00 175.35 174.59 2dll n LEU 9 N 4.56 2.19 -0.19 3.17 7.94 -1.26 -3.35 117.00 130.06 2dll n LEU 9 Ca -0.13 0.31 -0.05 0.00 -1.11 0.00 0.00 56.01 55.03 2dll n LEU 9 Cb 0.43 -1.00 -0.04 0.00 0.53 0.00 0.00 43.42 43.34 2dll n LEU 9 CO 0.19 0.54 0.49 -1.14 -1.11 0.00 0.00 177.39 176.36 2dll n ARG 10 N -4.03 -0.20 0.12 1.96 0.63 -1.26 -0.12 116.66 113.76 2dll n ARG 10 Ca -0.35 1.22 -0.14 0.00 -0.92 0.00 0.00 57.85 57.66 2dll n ARG 10 Cb 0.84 -1.81 -0.08 0.00 0.45 0.00 0.00 32.46 31.86 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 -0.28 -0.68 -0.14 5.75 -1.99 -2.53 115.11 115.24 2dll h GLN 11 Ca 0.07 0.02 0.06 0.00 -0.15 0.00 0.00 58.65 58.65 2dll h GLN 11 Cb 0.18 0.06 -0.08 0.00 1.07 0.00 0.00 27.48 28.72 2dll h GLN 11 CO -0.42 -0.03 -0.40 1.87 -2.65 0.00 0.00 178.83 177.20 2dll n TRP 12 N -5.12 -0.30 0.17 3.99 -0.00 -0.81 -0.25 117.44 115.12 2dll n TRP 12 Ca -0.09 0.85 -0.13 0.00 -0.00 0.00 0.00 57.50 58.12 2dll n TRP 12 Cb 0.21 -0.55 -0.07 0.00 -0.00 0.00 0.00 31.31 30.89 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 -1.10 -1.00 5.87 5.85 -0.57 -1.89 115.31 122.47 2dll h LEU 13 Ca 0.11 0.10 0.39 0.00 0.84 0.00 0.00 57.88 59.32 2dll h LEU 13 Cb 0.28 0.38 -0.18 0.00 0.37 0.00 0.00 40.66 41.51 2dll h LEU 13 CO -0.64 -0.47 0.49 0.40 -0.34 0.00 0.00 178.44 177.88 2dll h ILE 14 N -0.69 0.05 -0.80 4.05 2.04 -0.91 1.47 117.51 122.71 2dll h ILE 14 Ca -0.03 -0.02 -0.02 0.00 1.00 0.00 0.00 64.86 65.79 2dll h ILE 14 Cb 0.63 -0.01 -0.04 0.00 -0.74 0.00 0.00 36.82 36.66 2dll h ILE 14 CO -0.11 0.01 0.42 -0.78 0.00 0.00 0.00 178.15 177.69 2dll h ASP 15 N 0.05 1.01 -0.55 1.72 3.58 0.18 -1.55 116.42 120.86 2dll h ASP 15 Ca 0.81 -0.10 -0.08 0.00 0.42 0.00 0.00 57.03 58.08 2dll h ASP 15 Cb 2.06 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 42.82 2dll h ASP 15 CO -0.76 0.83 0.06 1.56 -2.88 0.00 0.00 179.24 178.04 2dll h GLN 16 N 1.12 0.97 -0.03 0.28 1.08 0.24 -2.47 115.11 116.30 2dll h GLN 16 Ca 0.28 -0.26 -0.01 0.00 -1.45 0.00 0.00 58.65 57.21 2dll h GLN 16 Cb 0.06 -0.11 -0.00 0.00 -0.05 0.00 0.00 27.48 27.37 2dll h GLN 16 CO -0.04 0.92 -0.00 0.82 -0.95 0.00 0.00 178.83 179.57 2dll h ILE 17 N 0.91 1.28 -0.26 2.54 2.04 -0.92 -2.64 117.51 120.45 2dll h ILE 17 Ca 0.18 -0.84 0.06 0.00 1.00 0.00 0.00 64.86 65.26 2dll h ILE 17 Cb 0.45 1.79 -0.06 0.00 -0.74 0.00 0.00 36.82 38.26 2dll h ILE 17 CO 0.02 0.22 -0.16 -0.78 0.00 0.00 0.00 178.15 177.45 2dll h ASP 18 N -0.29 -0.52 -0.79 1.72 1.82 -1.23 -0.78 116.42 116.35 2dll h ASP 18 Ca 0.01 0.11 0.10 0.00 -0.39 0.00 0.00 57.03 56.86 2dll h ASP 18 Cb 0.36 0.27 -0.05 0.00 0.68 0.00 0.00 39.33 40.59 2dll h ASP 18 CO 0.00 -0.20 0.51 0.77 -1.61 0.00 0.00 179.24 178.72 2dll h SER 19 N -0.13 0.64 -1.86 2.28 4.64 -1.46 -3.46 113.55 114.21 2dll h SER 19 Ca 0.14 0.02 -0.30 0.00 -0.47 0.00 0.00 61.79 61.18 2dll h SER 19 Cb 0.35 -0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 62.29 2dll h SER 19 CO -0.35 0.38 -0.36 0.61 -0.87 0.00 0.00 176.83 176.24 2dll n GLY 20 N -1.45 0.09 0.24 -0.77 0.00 -0.30 -4.91 105.19 98.09 2dll n GLY 20 Ca 0.13 -0.27 -0.15 0.00 0.00 0.00 0.00 46.02 45.73 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 0.83 -6.33 1.61 1.57 -1.85 -3.44 116.57 108.96 2dll h LYS 21 Ca -0.34 -0.52 -0.56 0.00 -1.87 0.00 0.00 60.65 57.36 2dll h LYS 21 Cb 1.21 0.06 -0.04 0.00 0.08 0.00 0.00 32.23 33.54 2dll h LYS 21 CO 0.42 1.15 -0.04 0.71 -0.57 0.00 0.00 179.45 181.13 2dll s TYR 22 N -4.14 3.68 0.61 -1.35 1.51 -1.26 -5.06 117.35 111.33 2dll s TYR 22 Ca -0.11 1.19 -0.17 0.00 -1.01 0.00 0.00 57.07 56.96 2dll s TYR 22 Cb 0.09 -2.45 -0.03 0.00 -0.11 0.00 0.00 41.96 39.47 2dll s TYR 22 CO 0.88 0.47 1.12 -1.25 -1.11 0.00 0.00 175.55 175.65 2dll s PRO 23 N -1.67 3.06 0.00 -1.71 0.04 -1.26 -3.51 135.00 129.94 2dll s PRO 23 Ca 0.36 1.49 0.00 0.00 0.04 0.00 0.00 61.00 62.88 2dll s PRO 23 Cb -0.17 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.40 2dll s PRO 23 CO 0.19 -1.06 0.00 0.41 0.04 0.00 0.00 177.00 176.58 2dll n GLY 24 N -0.22 1.17 3.56 0.56 0.00 -1.26 -4.68 105.19 104.33 2dll n GLY 24 Ca 0.11 -0.02 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 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 3.38 -0.07 0.99 2.96 -1.23 -4.59 118.68 120.12 2dll s LEU 25 Ca 0.00 0.92 -0.14 0.00 -0.22 0.00 0.00 54.13 54.70 2dll s LEU 25 Cb 0.00 -2.73 0.03 0.00 0.50 0.00 0.00 46.19 43.99 2dll s LEU 25 CO 0.00 -2.48 0.33 0.68 -1.32 0.00 0.00 176.35 173.56 2dll s VAL 26 N 10.11 0.03 -0.26 1.68 -7.23 -1.22 -4.75 120.40 118.76 2dll s VAL 26 Ca 0.85 -0.26 -0.29 0.00 -1.81 0.00 0.00 61.98 60.47 2dll s VAL 26 Cb -0.18 -0.56 0.00 0.00 0.56 0.00 0.00 36.38 36.21 2dll s VAL 26 CO 0.26 -0.14 1.16 0.26 -0.31 0.00 0.00 175.10 176.32 2dll s TRP 27 N -0.66 3.02 0.56 2.82 0.52 -1.26 -2.13 118.94 121.81 2dll s TRP 27 Ca -0.08 1.15 0.24 0.00 0.02 0.00 0.00 56.10 57.43 2dll s TRP 27 Cb -0.04 -3.59 1.56 0.00 -1.15 0.00 0.00 33.47 30.25 2dll s TRP 27 CO 0.03 -1.13 2.17 0.93 0.02 0.00 0.00 176.95 178.97 2dll h GLU 28 N 8.22 0.00 -5.16 4.98 5.08 -1.15 -3.43 114.58 123.12 2dll h GLU 28 Ca -0.23 0.00 -0.64 0.00 -1.00 0.00 0.00 59.36 57.49 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 1.01 0.00 -0.52 0.54 -1.00 0.00 0.00 179.01 179.04 2dll s ASN 29 N -6.41 3.69 -0.00 1.42 2.20 -1.24 -5.06 114.94 109.54 2dll s ASN 29 Ca -0.05 -1.65 0.03 0.00 -0.94 0.00 0.00 52.86 50.24 2dll s ASN 29 Cb 0.16 0.49 -0.25 0.00 -2.00 0.00 0.00 41.25 39.65 2dll s ASN 29 CO 0.61 -0.87 0.83 -0.33 -2.94 0.00 0.00 177.10 174.40 2dll h GLU 30 N 1.51 0.14 0.00 3.55 5.08 -1.94 -3.29 114.58 119.63 2dll h GLU 30 Ca -0.41 -0.24 0.00 0.00 -1.00 0.00 0.00 59.36 57.71 2dll h GLU 30 Cb 1.30 0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.64 2dll h GLU 30 CO 0.69 0.93 0.02 -0.85 -1.00 0.00 0.00 179.01 178.80 2dll n GLU 31 N -3.32 0.12 -2.89 2.33 0.28 -1.26 -4.81 120.64 111.08 2dll n GLU 31 Ca -0.15 0.61 -0.18 0.00 -0.16 0.00 0.00 57.16 57.29 2dll n GLU 31 Cb 1.03 -1.90 0.03 0.00 1.43 0.00 0.00 31.44 32.03 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 -2.13 -4.02 -0.10 3.44 4.76 -1.24 -4.92 118.16 113.96 2dll n LYS 32 Ca -0.01 0.71 -0.19 0.00 -2.87 0.00 0.00 58.31 55.95 2dll n LYS 32 Cb 0.05 -5.16 -0.12 0.00 -1.84 0.00 0.00 35.03 27.95 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 -1.61 2.00 -4.45 4.39 7.64 -1.26 -4.96 113.62 115.37 2dll n SER 33 Ca -0.08 -0.06 -0.32 0.00 1.01 0.00 0.00 58.87 59.42 2dll n SER 33 Cb 0.59 -0.50 -0.13 0.00 -1.01 0.00 0.00 64.21 63.16 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 -2.53 2.84 0.29 0.44 1.09 -1.26 -2.66 121.20 119.40 2dll s ILE 34 Ca -0.32 -0.94 -0.04 0.00 -1.10 0.00 0.00 60.65 58.25 2dll s ILE 34 Cb 0.08 -2.13 -0.01 0.00 -1.06 0.00 0.00 42.46 39.34 2dll s ILE 34 CO 0.64 0.49 0.37 0.72 -0.10 0.00 0.00 174.94 177.07 2dll s PHE 35 N -0.79 0.99 -0.03 3.97 -0.71 -1.18 -0.56 117.98 119.67 2dll s PHE 35 Ca 0.13 -1.22 0.04 0.00 -1.04 0.00 0.00 56.93 54.84 2dll s PHE 35 Cb -0.10 -0.20 -0.00 0.00 -1.21 0.00 0.00 43.02 41.50 2dll s PHE 35 CO 0.02 -0.96 -0.14 -0.98 -1.34 0.00 0.00 175.22 171.83 2dll s ARG 36 N -3.59 1.37 -0.07 1.99 1.70 -0.91 -2.52 118.95 116.93 2dll s ARG 36 Ca 0.32 -0.48 0.02 0.00 -0.47 0.00 0.00 55.73 55.12 2dll s ARG 36 Cb 0.02 -1.24 -0.02 0.00 -0.57 0.00 0.00 34.95 33.14 2dll s ARG 36 CO 0.16 0.21 -0.14 -1.50 -1.08 0.00 0.00 175.30 172.95 2dll s ILE 37 N 0.04 3.09 -0.26 4.99 2.07 -0.60 -3.43 121.20 127.10 2dll s ILE 37 Ca -0.02 -0.70 -0.29 0.00 -1.41 0.00 0.00 60.65 58.24 2dll s ILE 37 Cb -0.09 -2.23 -0.02 0.00 0.13 0.00 0.00 42.46 40.24 2dll s ILE 37 CO 0.01 0.57 1.64 -2.16 -1.91 0.00 0.00 174.94 173.09 2dll s PRO 38 N -0.44 3.68 -0.37 3.50 0.04 -1.26 -0.11 135.00 140.05 2dll s PRO 38 Ca 0.05 1.56 -0.01 0.00 0.04 0.00 0.00 61.00 62.64 2dll s PRO 38 Cb -0.12 -4.07 0.09 0.00 0.04 0.00 0.00 34.50 30.45 2dll s PRO 38 CO 0.02 -1.43 0.13 -0.46 0.04 0.00 0.00 177.00 175.30 2dll s TRP 39 N 5.56 3.54 -0.13 0.56 -0.11 -0.14 -4.91 118.94 123.31 2dll s TRP 39 Ca 0.72 -2.39 0.01 0.00 1.22 0.00 0.00 56.10 55.67 2dll s TRP 39 Cb -0.23 -2.90 0.02 0.00 -1.50 0.00 0.00 33.47 28.85 2dll s TRP 39 CO 0.30 -0.93 -0.15 0.21 -4.62 0.00 0.00 176.95 171.77 2dll s LYS 40 N 1.13 2.25 -0.02 5.86 2.20 -1.26 -4.34 119.74 125.56 2dll s LYS 40 Ca 0.05 -0.56 -0.20 0.00 -0.36 0.00 0.00 55.97 54.91 2dll s LYS 40 Cb -0.21 -1.98 -0.11 0.00 -1.51 0.00 0.00 37.83 34.01 2dll s LYS 40 CO -0.04 -0.14 0.82 1.12 -0.36 0.00 0.00 175.35 176.75 2dll h HIS 41 N 7.69 -0.63 -2.43 4.03 2.07 -1.98 -3.49 115.15 120.41 2dll h HIS 41 Ca -0.34 -0.01 0.19 0.00 -2.85 0.00 0.00 60.37 57.36 2dll h HIS 41 Cb 1.16 0.21 -0.04 0.00 2.57 0.00 0.00 27.41 31.30 2dll h HIS 41 CO 0.47 -0.37 0.62 0.00 -3.07 0.00 0.00 177.93 175.58 2dll s ALA 42 N -4.31 -1.72 0.00 6.11 0.00 -1.26 -5.07 121.76 115.52 2dll s ALA 42 Ca -0.10 -0.22 0.00 0.00 0.00 0.00 0.00 51.96 51.64 2dll s ALA 42 Cb 0.01 0.75 0.00 0.00 0.00 0.00 0.00 23.12 23.88 2dll s ALA 42 CO 0.32 -1.07 0.00 0.41 0.00 0.00 0.00 175.76 175.42 2dll n GLY 43 N -0.70 0.00 3.60 0.00 0.00 -1.26 -5.17 105.19 101.66 2dll n GLY 43 Ca -0.03 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 1.55 -0.07 1.61 -0.14 -1.26 -5.18 119.74 116.25 2dll s LYS 44 Ca 0.00 -1.24 -0.06 0.00 -1.36 0.00 0.00 55.97 53.32 2dll s LYS 44 Cb 0.00 0.48 0.02 0.00 -1.68 0.00 0.00 37.83 36.65 2dll s LYS 44 CO 0.00 -0.65 0.19 -0.65 -0.76 0.00 0.00 175.35 173.48 2dll s GLN 45 N -4.01 0.20 -1.39 1.68 1.11 -1.26 -4.86 119.66 111.13 2dll s GLN 45 Ca 0.22 0.30 -0.03 0.00 0.01 0.00 0.00 55.36 55.86 2dll s GLN 45 Cb -0.01 0.05 0.01 0.00 -1.01 0.00 0.00 33.01 32.05 2dll s GLN 45 CO 0.09 -0.06 0.21 -0.25 0.01 0.00 0.00 175.29 175.29 2dll n ASP 46 N 3.26 -4.86 -4.94 5.90 9.92 -1.26 -4.96 116.55 119.62 2dll n ASP 46 Ca -0.16 -0.06 -0.25 0.00 -0.53 0.00 0.00 54.79 53.80 2dll n ASP 46 Cb 0.57 -4.03 0.03 0.00 -0.64 0.00 0.00 41.12 37.05 2dll n ASP 46 CO 0.00 0.00 0.00 -0.72 0.13 0.00 0.00 177.20 176.61 2dll s TYR 47 N -2.90 3.13 -0.68 1.24 1.13 -1.26 -5.01 117.35 113.00 2dll s TYR 47 Ca 0.13 0.39 -0.27 0.00 -1.41 0.00 0.00 57.07 55.91 2dll s TYR 47 Cb -0.06 -2.69 0.03 0.00 -1.10 0.00 0.00 41.96 38.14 2dll s TYR 47 CO 0.16 -0.79 1.22 -0.80 -2.51 0.00 0.00 175.55 172.84 2dll s ASN 48 N -4.33 6.25 -0.01 -0.18 -0.87 -1.26 -4.87 114.94 109.67 2dll s ASN 48 Ca 0.54 -0.32 -0.22 0.00 -1.57 0.00 0.00 52.86 51.29 2dll s ASN 48 Cb -0.10 -2.54 -0.20 0.00 -0.02 0.00 0.00 41.25 38.38 2dll s ASN 48 CO 0.42 -1.68 1.16 0.03 -2.57 0.00 0.00 177.10 174.46 2dll h ARG 49 N 9.83 0.28 -0.72 -0.60 3.08 -2.00 -3.26 114.38 121.00 2dll h ARG 49 Ca -0.27 -0.23 0.26 0.00 0.07 0.00 0.00 59.98 59.80 2dll h ARG 49 Cb 1.05 0.05 -0.13 0.00 0.08 0.00 0.00 29.97 31.02 2dll h ARG 49 CO 1.24 0.88 0.24 -0.85 -1.07 0.00 0.00 179.97 180.41 2dll n GLU 50 N -4.47 -0.05 0.11 0.04 0.28 -1.26 0.84 120.64 116.13 2dll n GLU 50 Ca -0.09 1.02 -0.12 0.00 -0.16 0.00 0.00 57.16 57.82 2dll n GLU 50 Cb 0.48 -1.75 -0.08 0.00 1.43 0.00 0.00 31.44 31.53 2dll n GLU 50 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 2dll h GLU 51 N 0.00 -0.32 -0.96 3.44 3.07 -1.97 0.29 114.58 118.13 2dll h GLU 51 Ca 0.54 0.02 0.16 0.00 -0.50 0.00 0.00 59.36 59.58 2dll h GLU 51 Cb 1.32 0.07 -0.08 0.00 -0.84 0.00 0.00 28.75 29.22 2dll h GLU 51 CO -0.60 0.04 0.60 -0.44 -1.40 0.00 0.00 179.01 177.21 2dll h ASP 52 N -0.83 0.72 -0.53 1.42 3.32 0.38 0.18 116.42 121.09 2dll h ASP 52 Ca -0.03 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.08 2dll h ASP 52 Cb 0.51 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.98 2dll h ASP 52 CO 0.06 0.33 0.00 0.00 -1.72 0.00 0.00 179.24 177.90 2dll n ALA 53 N -2.39 3.41 -0.23 3.45 0.00 0.82 -4.55 120.51 121.01 2dll n ALA 53 Ca 0.20 -1.87 -0.03 0.00 0.00 0.00 0.00 53.44 51.74 2dll n ALA 53 Cb 0.51 -0.98 0.09 0.00 0.00 0.00 0.00 19.45 19.06 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 3.53 0.88 -0.02 0.00 0.00 0.28 0.27 119.26 124.20 2dll h ALA 54 Ca 0.00 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 2dll h ALA 54 Cb 1.67 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 19.31 2dll h ALA 54 CO 0.34 0.11 -0.49 1.25 0.00 0.00 0.00 179.25 180.46 2dll h LEU 55 N 0.74 0.47 0.41 0.00 5.85 -1.80 -3.16 115.31 117.83 2dll h LEU 55 Ca 0.28 -0.73 -0.01 0.00 0.84 0.00 0.00 57.88 58.26 2dll h LEU 55 Cb 0.11 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 40.99 2dll h LEU 55 CO -0.15 1.14 -0.25 -0.26 -0.34 0.00 0.00 178.44 178.58 2dll h PHE 56 N -0.15 -0.65 -0.47 1.25 0.04 -1.80 -2.79 116.94 112.36 2dll h PHE 56 Ca -0.06 -0.01 0.07 0.00 2.80 0.00 0.00 57.97 60.78 2dll h PHE 56 Cb 1.20 0.23 -0.09 0.00 2.20 0.00 0.00 35.95 39.49 2dll h PHE 56 CO 0.15 -0.39 -0.48 -0.22 -0.60 0.00 0.00 178.31 176.77 2dll h LYS 57 N -0.63 -0.30 -0.66 1.51 3.64 -0.58 -1.39 116.57 118.16 2dll h LYS 57 Ca -0.04 0.02 0.11 0.00 -1.27 0.00 0.00 60.65 59.46 2dll h LYS 57 Cb 0.52 0.07 -0.12 0.00 -0.41 0.00 0.00 32.23 32.29 2dll h LYS 57 CO 0.05 -0.20 -0.39 0.00 -2.27 0.00 0.00 179.45 176.64 2dll h ALA 58 N 0.33 -0.13 -0.87 5.00 0.00 -1.49 -1.49 119.26 120.60 2dll h ALA 58 Ca 0.13 0.16 0.08 0.00 0.00 0.00 0.00 54.91 55.28 2dll h ALA 58 Cb 0.58 0.90 -0.11 0.00 0.00 0.00 0.00 17.79 19.16 2dll h ALA 58 CO -0.63 -0.73 -0.50 1.87 0.00 0.00 0.00 179.25 179.26 2dll n TRP 59 N -5.42 -0.36 0.06 0.00 -0.00 -0.53 -0.25 117.44 110.92 2dll n TRP 59 Ca 0.04 1.09 -0.06 0.00 -0.00 0.00 0.00 57.50 58.57 2dll n TRP 59 Cb 0.36 -0.58 -0.04 0.00 -0.00 0.00 0.00 31.31 31.05 2dll n TRP 59 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 2dll h ALA 60 N 0.47 -0.76 -0.95 5.87 0.00 -1.19 -0.80 119.26 121.90 2dll h ALA 60 Ca 0.15 -0.05 0.26 0.00 0.00 0.00 0.00 54.91 55.27 2dll h ALA 60 Cb 0.36 0.57 -0.17 0.00 0.00 0.00 0.00 17.79 18.55 2dll h ALA 60 CO -0.82 -0.80 0.07 -0.07 0.00 0.00 0.00 179.25 177.63 2dll h LEU 61 N -0.30 -0.37 0.54 0.00 3.38 -0.96 0.73 115.31 118.34 2dll h LEU 61 Ca -0.01 0.26 -0.02 0.00 0.09 0.00 0.00 57.88 58.20 2dll h LEU 61 Cb 0.29 0.43 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 2dll h LEU 61 CO -0.09 -0.32 -0.38 0.15 0.09 0.00 0.00 178.44 177.90 2dll h PHE 62 N 0.04 -1.00 -0.27 1.13 3.04 -0.06 -3.20 116.94 116.62 2dll h PHE 62 Ca 0.58 -0.01 0.03 0.00 3.98 0.00 0.00 57.97 62.56 2dll h PHE 62 Cb 1.21 0.37 -0.04 0.00 2.56 0.00 0.00 35.95 40.05 2dll h PHE 62 CO -0.44 -0.56 -0.23 0.87 -2.02 0.00 0.00 178.31 175.94 2dll h LYS 63 N -0.89 -0.08 0.00 1.11 1.79 0.59 -3.45 116.57 115.65 2dll h LYS 63 Ca -0.06 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.41 2dll h LYS 63 Cb 0.74 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.41 2dll h LYS 63 CO 0.04 -0.05 0.00 0.41 -1.08 0.00 0.00 179.45 178.76 2dll n GLY 64 N -1.13 2.19 2.66 3.86 0.00 -0.94 -4.99 105.19 106.84 2dll n GLY 64 Ca -0.00 -0.04 -0.28 0.00 0.00 0.00 0.00 46.02 45.70 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 3.93 0.41 0.26 1.61 -0.14 -1.26 -4.75 119.74 119.81 2dll s LYS 65 Ca 0.00 -0.47 0.11 0.00 -1.36 0.00 0.00 55.97 54.25 2dll s LYS 65 Cb 0.00 -1.80 -0.05 0.00 -1.68 0.00 0.00 37.83 34.30 2dll s LYS 65 CO 0.00 -0.79 -0.18 0.12 -0.76 0.00 0.00 175.35 173.74 2dll s PHE 66 N 1.94 2.35 -0.10 3.18 2.19 -1.26 -5.05 117.98 121.23 2dll s PHE 66 Ca 0.04 -0.32 0.03 0.00 0.33 0.00 0.00 56.93 57.01 2dll s PHE 66 Cb -0.17 -1.05 -0.01 0.00 -1.31 0.00 0.00 43.02 40.48 2dll s PHE 66 CO -0.18 0.66 -0.19 1.03 1.83 0.00 0.00 175.22 178.37 2dll s ARG 67 N -3.35 3.04 -0.13 10.12 3.00 -1.26 -4.95 118.95 125.41 2dll s ARG 67 Ca 0.28 -0.79 0.17 0.00 0.00 0.00 0.00 55.73 55.39 2dll s ARG 67 Cb -0.06 -2.41 -0.24 0.00 0.00 0.00 0.00 34.95 32.24 2dll s ARG 67 CO 0.15 0.27 0.31 -0.85 0.00 0.00 0.00 175.30 175.17 2dll n GLU 68 N 3.31 0.67 -0.02 3.54 -0.00 -1.26 -3.36 120.64 123.51 2dll n GLU 68 Ca -0.18 0.08 -0.21 0.00 -0.00 0.00 0.00 57.16 56.85 2dll n GLU 68 Cb 0.53 -1.61 -0.13 0.00 -0.00 0.00 0.00 31.44 30.22 2dll n GLU 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2dll n GLY 69 N 1.64 -0.54 0.06 -1.84 0.00 -1.26 -4.61 105.19 98.65 2dll n GLY 69 Ca -0.25 -0.24 -0.06 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.01 0.52 -3.89 -0.61 2.04 -1.99 -3.47 117.51 110.09 2dll h ILE 70 Ca -0.45 -1.43 -0.48 0.00 1.00 0.00 0.00 64.86 63.51 2dll h ILE 70 Cb 1.97 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 39.06 2dll h ILE 70 CO 0.04 0.17 0.21 -1.81 0.00 0.00 0.00 178.15 176.77 2dll s ASP 71 N -5.85 6.69 -0.23 1.72 1.01 -1.21 -5.02 116.67 113.77 2dll s ASP 71 Ca -0.09 1.38 -0.29 0.00 0.71 0.00 0.00 52.55 54.25 2dll s ASP 71 Cb 0.00 -2.42 0.00 0.00 1.01 0.00 0.00 42.92 41.51 2dll s ASP 71 CO 0.25 -0.39 1.15 -0.75 0.21 0.00 0.00 175.17 175.65 2dll s LYS 72 N -3.55 4.18 0.64 8.23 2.47 -1.26 -4.31 119.74 126.13 2dll s LYS 72 Ca 0.56 1.40 -0.16 0.00 -1.56 0.00 0.00 55.97 56.21 2dll s LYS 72 Cb -0.10 -3.73 -0.01 0.00 -1.46 0.00 0.00 37.83 32.53 2dll s LYS 72 CO 0.24 -0.76 1.11 -1.25 0.16 0.00 0.00 175.35 174.86 2dll s PRO 73 N 3.49 2.90 -0.28 4.03 0.04 -1.26 -5.06 135.00 138.87 2dll s PRO 73 Ca 0.49 1.42 0.00 0.00 0.04 0.00 0.00 61.00 62.96 2dll s PRO 73 Cb -0.17 -1.96 0.15 0.00 0.04 0.00 0.00 34.50 32.56 2dll s PRO 73 CO 0.12 -1.17 0.37 0.16 0.04 0.00 0.00 177.00 176.52 2dll s ASP 74 N -2.45 0.73 0.28 6.66 1.47 -1.26 -5.03 116.67 117.07 2dll s ASP 74 Ca 0.68 -0.37 0.02 0.00 1.18 0.00 0.00 52.55 54.06 2dll s ASP 74 Cb -0.21 0.93 0.68 0.00 -0.34 0.00 0.00 42.92 43.98 2dll s ASP 74 CO 0.39 -0.35 1.69 -0.65 0.68 0.00 0.00 175.17 176.93 2dll h PRO 75 N 8.20 0.36 -0.41 2.11 0.11 -2.00 -2.08 132.00 138.29 2dll h PRO 75 Ca -0.12 -0.02 0.08 0.00 0.11 0.00 0.00 66.00 66.05 2dll h PRO 75 Cb 1.11 -0.08 -0.09 0.00 0.11 0.00 0.00 31.00 32.05 2dll h PRO 75 CO 0.29 0.24 -0.34 -1.35 -0.21 0.00 0.00 178.00 176.63 2dll h PRO 76 N 0.37 -0.24 -0.55 1.05 0.11 -1.98 0.21 132.00 130.96 2dll h PRO 76 Ca 0.54 0.02 0.05 0.00 0.11 0.00 0.00 66.00 66.71 2dll h PRO 76 Cb 1.01 0.06 -0.05 0.00 0.11 0.00 0.00 31.00 32.12 2dll h PRO 76 CO -0.53 -0.16 0.28 1.15 -0.21 0.00 0.00 178.00 178.52 2dll h THR 77 N -0.25 0.95 0.69 -1.15 2.02 -1.81 0.20 112.91 113.57 2dll h THR 77 Ca 0.17 -0.18 -0.03 0.00 0.77 0.00 0.00 66.41 67.14 2dll h THR 77 Cb 0.54 0.37 0.01 0.00 -1.74 0.00 0.00 68.15 67.33 2dll h THR 77 CO -0.55 0.10 -0.33 -0.50 0.37 0.00 0.00 175.52 174.60 2dll h TRP 78 N 0.54 -0.86 0.27 3.16 6.55 -1.13 0.95 115.95 125.42 2dll h TRP 78 Ca 0.24 -0.02 0.00 0.00 0.95 0.00 0.00 58.89 60.07 2dll h TRP 78 Cb 0.15 0.29 -0.03 0.00 -0.86 0.00 0.00 29.16 28.71 2dll h TRP 78 CO -0.10 -0.52 -0.31 -0.22 -1.05 0.00 0.00 178.44 176.23 2dll h LYS 79 N -0.97 -0.60 -0.03 0.49 3.64 -0.47 -2.43 116.57 116.20 2dll h LYS 79 Ca -0.10 0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.36 2dll h LYS 79 Cb 0.73 0.14 -0.05 0.00 -0.41 0.00 0.00 32.23 32.63 2dll h LYS 79 CO 0.16 -0.40 -0.32 1.15 -2.27 0.00 0.00 179.45 177.77 2dll h THR 80 N -0.63 0.30 -0.62 1.00 2.02 -0.61 0.40 112.91 114.78 2dll h THR 80 Ca -0.00 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.24 2dll h THR 80 Cb 0.59 0.30 -0.09 0.00 -1.74 0.00 0.00 68.15 67.21 2dll h THR 80 CO -0.09 0.00 -0.52 0.03 0.37 0.00 0.00 175.52 175.31 2dll h ARG 81 N -0.45 -0.19 0.89 6.66 2.47 -0.65 0.26 114.38 123.37 2dll h ARG 81 Ca 0.07 0.01 -0.04 0.00 -1.26 0.00 0.00 59.98 58.76 2dll h ARG 81 Cb 0.55 0.04 0.01 0.00 -1.65 0.00 0.00 29.97 28.92 2dll h ARG 81 CO -0.28 -0.12 -0.43 1.25 0.56 0.00 0.00 179.97 180.95 2dll h LEU 82 N -0.19 -1.01 -0.95 3.04 5.85 -1.17 -2.16 115.31 118.72 2dll h LEU 82 Ca 0.10 0.03 0.31 0.00 0.84 0.00 0.00 57.88 59.17 2dll h LEU 82 Cb 0.46 0.26 -0.17 0.00 0.37 0.00 0.00 40.66 41.58 2dll h LEU 82 CO -0.69 -0.66 0.21 -1.14 -0.34 0.00 0.00 178.44 175.83 2dll n ARG 83 N -5.56 -0.07 0.21 1.25 0.63 0.14 -0.09 116.66 113.17 2dll n ARG 83 Ca -0.15 1.37 -0.14 0.00 -0.92 0.00 0.00 57.85 58.02 2dll n ARG 83 Cb 0.47 -2.29 -0.08 0.00 0.45 0.00 0.00 32.46 31.01 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 -0.36 1.15 -0.84 0.00 0.00 0.17 0.68 119.26 120.07 2dll h ALA 85 Ca -0.05 0.09 0.12 0.00 0.00 0.00 0.00 54.91 55.07 2dll h ALA 85 Cb 0.54 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.27 2dll h ALA 85 CO 0.09 -0.13 0.46 1.25 0.00 0.00 0.00 179.25 180.92 2dll h LEU 86 N 0.55 0.62 0.06 0.00 5.85 -0.67 0.22 115.31 121.94 2dll h LEU 86 Ca 0.43 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 59.21 2dll h LEU 86 Cb 0.61 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.59 2dll h LEU 86 CO -0.37 0.31 -0.03 -1.13 -0.34 0.00 0.00 178.44 176.89 2dll h ASN 87 N 0.72 -0.07 -0.60 1.25 -1.24 -0.93 -3.30 115.58 111.41 2dll h ASN 87 Ca 0.43 -0.56 0.11 0.00 0.71 0.00 0.00 56.30 56.99 2dll h ASN 87 Cb 0.50 0.02 -0.09 0.00 0.73 0.00 0.00 38.32 39.49 2dll h ASN 87 CO -0.30 0.59 0.13 0.11 -1.29 0.00 0.00 177.43 176.66 2dll h LYS 88 N -0.79 0.25 -5.56 6.67 1.57 -0.61 -3.39 116.57 114.72 2dll h LYS 88 Ca -0.01 -0.02 -0.52 0.00 -1.87 0.00 0.00 60.65 58.24 2dll h LYS 88 Cb 0.63 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.86 2dll h LYS 88 CO 0.01 0.17 1.62 0.43 -0.57 0.00 0.00 179.45 181.11 2dll n SER 89 N -5.13 1.86 -0.13 0.86 7.64 0.76 -4.79 113.62 114.69 2dll n SER 89 Ca 0.09 -0.13 -0.10 0.00 1.01 0.00 0.00 58.87 59.74 2dll n SER 89 Cb 0.32 -1.36 0.04 0.00 -1.01 0.00 0.00 64.21 62.19 2dll n SER 89 CO 0.00 0.00 0.00 -1.13 -3.01 0.00 0.00 175.04 170.90 2dll h ASN 90 N 16.17 0.92 0.00 6.43 -0.73 -1.88 -2.72 115.58 133.78 2dll h ASN 90 Ca -0.21 -0.35 0.00 0.00 1.87 0.00 0.00 56.30 57.61 2dll h ASN 90 Cb 1.29 -0.25 0.00 0.00 0.27 0.00 0.00 38.32 39.62 2dll h ASN 90 CO 1.18 1.11 0.48 0.44 -0.37 0.00 0.00 177.43 180.27 2dll h ASP 91 N 0.78 0.00 -2.79 1.15 3.32 -1.87 -3.39 116.42 113.61 2dll h ASP 91 Ca 0.10 0.00 -0.67 0.00 0.02 0.00 0.00 57.03 56.48 2dll h ASP 91 Cb 0.79 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.25 2dll h ASP 91 CO 0.07 0.00 -0.51 -0.36 -1.72 0.00 0.00 179.24 176.71 2dll s PHE 92 N -3.80 3.50 0.07 4.55 0.40 -1.03 -0.04 117.98 121.63 2dll s PHE 92 Ca -0.02 0.45 0.06 0.00 -0.60 0.00 0.00 56.93 56.82 2dll s PHE 92 Cb 0.05 -1.90 -0.04 0.00 0.51 0.00 0.00 43.02 41.64 2dll s PHE 92 CO 0.16 0.68 -0.11 -2.00 0.70 0.00 0.00 175.22 174.66 2dll s GLU 93 N -1.02 2.22 -0.13 0.44 2.56 0.98 -4.88 118.70 118.87 2dll s GLU 93 Ca 0.15 -0.94 -0.21 0.00 0.00 0.00 0.00 54.97 53.97 2dll s GLU 93 Cb -0.12 -2.33 -0.03 0.00 2.00 0.00 0.00 34.13 33.65 2dll s GLU 93 CO 0.04 0.54 0.61 -2.00 -0.56 0.00 0.00 175.26 173.89 2dll s GLU 94 N -1.88 4.32 -0.26 4.30 2.12 -1.26 -0.84 118.70 125.20 2dll s GLU 94 Ca 0.19 0.66 0.13 0.00 0.36 0.00 0.00 54.97 56.31 2dll s GLU 94 Cb -0.11 -3.50 0.65 0.00 0.26 0.00 0.00 34.13 31.44 2dll s GLU 94 CO 0.11 -0.03 1.62 1.28 -0.54 0.00 0.00 175.26 177.70 2dll n LEU 95 N 4.26 5.03 -0.29 2.70 4.77 -0.84 -4.72 117.00 127.90 2dll n LEU 95 Ca -0.03 -3.19 0.25 0.00 -0.03 0.00 0.00 56.01 53.01 2dll n LEU 95 Cb 0.51 -0.65 0.42 0.00 -2.33 0.00 0.00 43.42 41.36 2dll n LEU 95 CO 0.45 0.80 0.75 0.52 -1.33 0.00 0.00 177.39 178.57 2dll n VAL 96 N -0.31 -0.14 -0.27 4.08 0.31 -1.25 0.16 118.33 120.90 2dll n VAL 96 Ca 0.31 1.08 0.09 0.00 -0.01 0.00 0.00 64.34 65.81 2dll n VAL 96 Cb 1.15 -1.77 0.23 0.00 -0.91 0.00 0.00 33.84 32.53 2dll n VAL 96 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2dll h GLU 97 N 0.00 0.21 0.00 5.55 5.08 -1.93 0.14 114.58 123.64 2dll h GLU 97 Ca 0.54 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.88 2dll h GLU 97 Cb 1.75 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.95 2dll h GLU 97 CO -0.27 0.14 -1.00 0.54 -1.00 0.00 0.00 179.01 177.43 2dll n ARG 98 N -5.22 0.57 -1.63 2.33 1.74 0.42 -4.93 116.66 109.94 2dll n ARG 98 Ca 0.17 0.11 -0.45 0.00 -0.77 0.00 0.00 57.85 56.91 2dll n ARG 98 Cb 0.56 -1.80 -0.02 0.00 -1.02 0.00 0.00 32.46 30.18 2dll n ARG 98 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2dll n SER 99 N -2.60 1.97 -3.85 0.55 7.64 0.49 -4.88 113.62 112.95 2dll n SER 99 Ca 0.00 1.17 -0.30 0.00 1.01 0.00 0.00 58.87 60.75 2dll n SER 99 Cb 0.54 -1.35 -0.15 0.00 -1.01 0.00 0.00 64.21 62.23 2dll n SER 99 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 2dll s GLN 100 N -1.15 1.13 -0.07 1.43 -1.52 -0.88 -4.95 119.66 113.65 2dll s GLN 100 Ca 0.63 -1.07 0.11 0.00 -1.95 0.00 0.00 55.36 53.08 2dll s GLN 100 Cb -0.69 -2.40 0.30 0.00 -0.22 0.00 0.00 33.01 30.00 2dll s GLN 100 CO 0.57 -0.80 1.23 1.28 -0.25 0.00 0.00 175.29 177.32 2dll n LEU 101 N 4.73 2.88 -0.14 2.90 4.77 -1.26 -1.01 117.00 129.87 2dll n LEU 101 Ca -0.06 -2.48 0.01 0.00 -0.03 0.00 0.00 56.01 53.46 2dll n LEU 101 Cb 0.43 -0.30 0.03 0.00 -2.33 0.00 0.00 43.42 41.25 2dll n LEU 101 CO 0.15 0.66 0.52 0.47 -1.33 0.00 0.00 177.39 177.86 2dll n ASP 102 N -0.35 2.16 -4.90 -1.43 8.00 -1.26 -4.80 116.55 113.97 2dll n ASP 102 Ca 0.12 -1.96 -0.21 0.00 0.71 0.00 0.00 54.79 53.45 2dll n ASP 102 Cb 0.56 -0.05 -0.02 0.00 -0.02 0.00 0.00 41.12 41.59 2dll n ASP 102 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 2dll s ILE 103 N -0.97 2.46 0.16 0.53 -0.00 -1.26 -5.02 121.20 117.11 2dll s ILE 103 Ca 0.05 -1.33 -0.22 0.00 -0.00 0.00 0.00 60.65 59.15 2dll s ILE 103 Cb 0.03 -2.78 0.04 0.00 -0.00 0.00 0.00 42.46 39.74 2dll s ILE 103 CO 0.03 0.00 1.32 -1.20 -0.00 0.00 0.00 174.94 175.09 2dll n SER 104 N -1.66 -0.78 -4.13 4.36 7.64 -1.26 -3.56 113.62 114.24 2dll n SER 104 Ca 0.04 1.51 -0.35 0.00 1.01 0.00 0.00 58.87 61.08 2dll n SER 104 Cb 0.62 -0.25 -0.13 0.00 -1.01 0.00 0.00 64.21 63.44 2dll n SER 104 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2dll s ASP 105 N -5.38 5.02 0.33 6.43 2.15 -1.26 -5.10 116.67 118.86 2dll s ASP 105 Ca -0.11 -1.67 -0.28 0.00 0.43 0.00 0.00 52.55 50.92 2dll s ASP 105 Cb 0.12 -1.75 -0.10 0.00 -0.30 0.00 0.00 42.92 40.90 2dll s ASP 105 CO 0.56 -0.38 1.22 -2.16 -0.17 0.00 0.00 175.17 174.24 2dll s PRO 106 N 1.17 4.39 -0.08 4.34 0.04 -1.23 -4.89 135.00 138.73 2dll s PRO 106 Ca 0.02 2.03 -0.27 0.00 0.04 0.00 0.00 61.00 62.83 2dll s PRO 106 Cb -0.21 -3.04 0.06 0.00 0.04 0.00 0.00 34.50 31.35 2dll s PRO 106 CO -0.03 -0.09 0.61 1.52 0.04 0.00 0.00 177.00 179.05 2dll s TYR 107 N -1.19 -0.59 -0.19 0.56 -0.85 -0.18 -0.97 117.35 113.95 2dll s TYR 107 Ca 0.49 1.11 -0.06 0.00 -0.52 0.00 0.00 57.07 58.09 2dll s TYR 107 Cb -0.36 0.32 -0.03 0.00 0.38 0.00 0.00 41.96 42.27 2dll s TYR 107 CO 0.47 -0.52 0.01 0.15 -1.52 0.00 0.00 175.55 174.15 2dll s LYS 108 N -0.90 3.73 0.20 -3.49 1.02 0.85 -2.07 119.74 119.08 2dll s LYS 108 Ca -0.09 -0.47 -0.09 0.00 0.02 0.00 0.00 55.97 55.34 2dll s LYS 108 Cb -0.02 -3.10 -0.07 0.00 -0.52 0.00 0.00 37.83 34.13 2dll s LYS 108 CO 0.07 0.13 0.51 0.08 -0.92 0.00 0.00 175.35 175.22 2dll s VAL 109 N 0.72 4.97 0.02 3.17 1.01 -1.26 -1.56 120.40 127.47 2dll s VAL 109 Ca 0.01 0.43 -0.07 0.00 0.00 0.00 0.00 61.98 62.35 2dll s VAL 109 Cb -0.14 -3.63 -0.00 0.00 0.00 0.00 0.00 36.38 32.61 2dll s VAL 109 CO 0.02 -0.01 0.14 -0.31 0.00 0.00 0.00 175.10 174.94 2dll s TYR 110 N -1.74 0.10 -0.11 5.22 1.51 -1.05 -1.98 117.35 119.30 2dll s TYR 110 Ca 0.45 -0.29 0.03 0.00 -1.01 0.00 0.00 57.07 56.25 2dll s TYR 110 Cb -0.12 -0.07 -0.00 0.00 -0.11 0.00 0.00 41.96 41.66 2dll s TYR 110 CO 0.21 -0.35 -0.22 0.50 -1.11 0.00 0.00 175.55 174.58 2dll s ARG 111 N -2.09 3.09 -0.68 -0.62 3.52 -0.02 -3.13 118.95 119.02 2dll s ARG 111 Ca -0.09 -0.85 -0.27 0.00 -0.13 0.00 0.00 55.73 54.39 2dll s ARG 111 Cb -0.04 -2.36 0.03 0.00 -1.56 0.00 0.00 34.95 31.03 2dll s ARG 111 CO -0.02 0.16 1.22 0.42 -0.81 0.00 0.00 175.30 176.28 2dll s ILE 112 N 0.40 3.87 -0.06 4.11 1.01 -1.09 -0.01 121.20 129.42 2dll s ILE 112 Ca -0.17 0.51 -0.30 0.00 0.00 0.00 0.00 60.65 60.70 2dll s ILE 112 Cb -0.17 -4.84 -0.04 0.00 0.01 0.00 0.00 42.46 37.42 2dll s ILE 112 CO 0.07 -1.66 1.30 -0.69 0.00 0.00 0.00 174.94 173.97 2dll s VAL 113 N 5.35 4.05 0.75 2.92 1.01 0.94 -4.97 120.40 130.44 2dll s VAL 113 Ca 0.37 1.37 -0.13 0.00 0.00 0.00 0.00 61.98 63.59 2dll s VAL 113 Cb -0.08 -3.88 0.19 0.00 0.00 0.00 0.00 36.38 32.60 2dll s VAL 113 CO 0.18 -0.03 0.66 -0.81 0.00 0.00 0.00 175.10 175.10 2dll n PRO 114 N 5.64 -2.32 -0.10 2.72 -0.04 -1.26 -4.71 135.00 134.92 2dll n PRO 114 Ca 0.13 -1.06 -0.22 0.00 -0.04 0.00 0.00 63.50 62.31 2dll n PRO 114 Cb 0.45 -0.99 -0.12 0.00 -0.04 0.00 0.00 33.50 32.80 2dll n PRO 114 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2dll n GLU 115 N -3.53 0.65 -3.83 0.54 0.28 -1.26 -5.00 120.64 108.48 2dll n GLU 115 Ca 0.09 0.25 -0.27 0.00 -0.16 0.00 0.00 57.16 57.06 2dll n GLU 115 Cb 0.36 -1.58 0.03 0.00 1.43 0.00 0.00 31.44 31.68 2dll n GLU 115 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2dll n SER 116 N -3.68 -4.10 -1.95 -1.84 2.88 -1.26 -4.97 113.62 98.70 2dll n SER 116 Ca -0.44 -0.76 -0.05 0.00 -1.33 0.00 0.00 58.87 56.29 2dll n SER 116 Cb 0.94 -4.05 -0.01 0.00 -0.75 0.00 0.00 64.21 60.34 2dll n SER 116 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dll n GLY 117 N -1.69 3.93 3.77 0.46 0.00 -1.26 -5.14 105.19 105.26 2dll n GLY 117 Ca -0.04 -1.95 -0.38 0.00 0.00 0.00 0.00 46.02 43.65 2dll n GLY 117 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dll s PRO 118 N -2.32 3.91 0.14 1.61 0.04 -1.26 -5.02 135.00 132.10 2dll s PRO 118 Ca 0.04 1.84 -0.23 0.00 0.04 0.00 0.00 61.00 62.69 2dll s PRO 118 Cb 0.00 -2.56 -0.08 0.00 0.04 0.00 0.00 34.50 31.91 2dll s PRO 118 CO 0.03 -0.44 0.70 -1.12 0.04 0.00 0.00 177.00 176.21 2dll s SER 119 N -1.20 7.25 0.26 6.66 0.01 -1.26 -4.96 113.70 120.45 2dll s SER 119 Ca 0.60 1.49 -0.07 0.00 1.31 0.00 0.00 55.95 59.28 2dll s SER 119 Cb -0.30 -2.44 0.46 0.00 0.21 0.00 0.00 66.02 63.94 2dll s SER 119 CO 0.38 0.22 1.61 -1.28 0.41 0.00 0.00 173.24 174.58 2dll h SER 120 N 4.34 -0.54 0.00 2.44 0.87 -2.09 -3.57 113.55 115.01 2dll h SER 120 Ca -0.48 0.23 0.00 0.00 -1.23 0.00 0.00 61.79 60.31 2dll h SER 120 Cb 1.21 0.43 0.00 0.00 -0.44 0.00 0.00 62.40 63.60 2dll h SER 120 CO 0.65 -0.25 0.00 0.61 -0.53 0.00 0.00 176.83 177.31