#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 -0.24 0.17 1.61 0.15 -1.26 -5.16 113.70 108.97 2dll s SER 2 Ca 0.00 0.61 0.07 0.00 0.70 0.00 0.00 55.95 57.33 2dll s SER 2 Cb 0.00 0.53 -0.04 0.00 -1.71 0.00 0.00 66.02 64.80 2dll s SER 2 CO 0.00 -0.18 -0.14 -0.94 1.20 0.00 0.00 173.24 173.18 2dll s SER 3 N 1.45 2.30 0.00 5.45 1.04 -1.26 -5.06 113.70 117.61 2dll s SER 3 Ca -0.08 -0.95 0.00 0.00 0.48 0.00 0.00 55.95 55.40 2dll s SER 3 Cb -0.10 -0.10 0.00 0.00 0.10 0.00 0.00 66.02 65.92 2dll s SER 3 CO -0.09 -0.18 0.00 0.61 0.98 0.00 0.00 173.24 174.56 2dll n GLY 4 N -0.05 -0.54 3.04 7.32 0.00 -1.26 -5.17 105.19 108.53 2dll n GLY 4 Ca -0.11 0.26 -0.08 0.00 0.00 0.00 0.00 46.02 46.09 2dll n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dll s SER 5 N 0.00 0.40 -0.13 1.61 0.15 -1.26 -5.03 113.70 109.44 2dll s SER 5 Ca 0.00 -0.74 -0.09 0.00 0.70 0.00 0.00 55.95 55.82 2dll s SER 5 Cb 0.00 0.14 -0.05 0.00 -1.71 0.00 0.00 66.02 64.40 2dll s SER 5 CO 0.00 -0.44 -0.02 0.28 1.20 0.00 0.00 173.24 174.26 2dll h SER 6 N 3.91 0.00 0.00 5.45 0.02 -2.02 -3.51 113.55 117.40 2dll h SER 6 Ca -0.33 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 2dll h SER 6 Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.72 2dll h SER 6 CO 0.53 0.76 0.00 0.61 -1.14 0.00 0.00 176.83 177.59 2dll n GLY 7 N 1.65 0.13 0.05 -3.77 0.00 -1.26 -4.94 105.19 97.05 2dll n GLY 7 Ca -0.07 -0.82 -0.03 0.00 0.00 0.00 0.00 46.02 45.10 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 0.00 0.00 -0.73 1.61 6.56 -2.00 -3.40 116.57 118.61 2dll h LYS 8 Ca 0.00 0.00 0.11 0.00 -1.06 0.00 0.00 60.65 59.70 2dll h LYS 8 Cb 0.00 0.00 -0.11 0.00 -0.57 0.00 0.00 32.23 31.55 2dll h LYS 8 CO 0.00 0.00 -0.30 -0.11 -2.06 0.00 0.00 179.45 176.98 2dll n LEU 9 N -4.03 -0.51 -0.13 2.94 7.94 -1.26 0.02 117.00 121.97 2dll n LEU 9 Ca -0.04 1.27 -0.03 0.00 -1.11 0.00 0.00 56.01 56.10 2dll n LEU 9 Cb 0.15 -0.28 -0.03 0.00 0.53 0.00 0.00 43.42 43.79 2dll n LEU 9 CO 0.06 -1.13 0.37 -1.14 -1.11 0.00 0.00 177.39 174.44 2dll n ARG 10 N -5.05 -0.13 0.03 1.96 0.00 -1.26 0.01 116.66 112.21 2dll n ARG 10 Ca 0.07 0.91 -0.11 0.00 -0.00 0.00 0.00 57.85 58.72 2dll n ARG 10 Cb 0.28 -1.36 -0.09 0.00 0.00 0.00 0.00 32.46 31.30 2dll n ARG 10 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.63 178.00 2dll h GLN 11 N 0.00 -0.15 -0.72 -0.14 5.75 -1.11 -3.11 115.11 115.63 2dll h GLN 11 Ca 0.05 0.01 0.07 0.00 -0.15 0.00 0.00 58.65 58.62 2dll h GLN 11 Cb 0.12 0.03 -0.09 0.00 1.07 0.00 0.00 27.48 28.62 2dll h GLN 11 CO -0.29 0.33 -0.43 1.87 -2.65 0.00 0.00 178.83 177.67 2dll n TRP 12 N -4.89 -0.32 0.15 3.99 -0.00 0.10 -0.33 117.44 116.15 2dll n TRP 12 Ca -0.08 0.90 -0.15 0.00 -0.00 0.00 0.00 57.50 58.17 2dll n TRP 12 Cb 0.28 -0.55 -0.08 0.00 -0.00 0.00 0.00 31.31 30.96 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 -1.28 -0.95 5.87 5.85 -0.54 -1.65 115.31 122.62 2dll h LEU 13 Ca 0.12 0.13 0.28 0.00 0.84 0.00 0.00 57.88 59.24 2dll h LEU 13 Cb 0.30 0.47 -0.14 0.00 0.37 0.00 0.00 40.66 41.65 2dll h LEU 13 CO -0.68 -0.53 0.42 0.40 -0.34 0.00 0.00 178.44 177.71 2dll h ILE 14 N -0.73 0.33 -0.56 4.05 2.04 -0.86 0.76 117.51 122.54 2dll h ILE 14 Ca 0.00 -0.10 -0.03 0.00 1.00 0.00 0.00 64.86 65.73 2dll h ILE 14 Cb 0.72 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.78 2dll h ILE 14 CO -0.21 0.05 0.23 -0.78 0.00 0.00 0.00 178.15 177.45 2dll h ASP 15 N 0.30 0.72 -0.43 1.72 3.58 0.24 -1.27 116.42 121.29 2dll h ASP 15 Ca 0.65 -0.09 -0.12 0.00 0.42 0.00 0.00 57.03 57.89 2dll h ASP 15 Cb 1.38 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 42.23 2dll h ASP 15 CO -0.62 0.65 -0.20 1.56 -2.88 0.00 0.00 179.24 177.75 2dll h GLN 16 N 0.79 0.89 -0.33 0.28 1.08 0.11 -2.44 115.11 115.50 2dll h GLN 16 Ca 0.19 -0.39 -0.05 0.00 -1.45 0.00 0.00 58.65 56.96 2dll h GLN 16 Cb 0.14 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.53 2dll h GLN 16 CO -0.02 1.04 0.01 0.82 -0.95 0.00 0.00 178.83 179.73 2dll h ILE 17 N 0.72 1.25 -0.51 2.54 2.04 -0.90 -2.09 117.51 120.57 2dll h ILE 17 Ca 0.10 -0.93 0.03 0.00 1.00 0.00 0.00 64.86 65.05 2dll h ILE 17 Cb 0.76 1.21 -0.04 0.00 -0.74 0.00 0.00 36.82 38.01 2dll h ILE 17 CO 0.06 0.31 0.29 -0.78 0.00 0.00 0.00 178.15 178.03 2dll h ASP 18 N 0.39 0.46 -0.21 1.72 1.82 -1.22 -1.97 116.42 117.40 2dll h ASP 18 Ca 0.10 0.01 -0.05 0.00 -0.39 0.00 0.00 57.03 56.70 2dll h ASP 18 Cb 0.43 -0.08 -0.02 0.00 0.68 0.00 0.00 39.33 40.34 2dll h ASP 18 CO 0.01 0.32 -0.00 0.77 -1.61 0.00 0.00 179.24 178.73 2dll h SER 19 N 0.57 0.47 -2.30 2.28 4.64 -1.35 -3.46 113.55 114.40 2dll h SER 19 Ca 0.21 -0.08 -0.35 0.00 -0.47 0.00 0.00 61.79 61.10 2dll h SER 19 Cb 0.05 -0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 61.99 2dll h SER 19 CO -0.11 0.54 -0.43 0.61 -0.87 0.00 0.00 176.83 176.57 2dll n GLY 20 N -0.90 -0.14 0.24 -0.77 0.00 -0.74 -4.90 105.19 97.98 2dll n GLY 20 Ca 0.01 -0.16 -0.16 0.00 0.00 0.00 0.00 46.02 45.71 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 0.85 -6.31 1.61 1.57 -1.87 -3.44 116.57 108.98 2dll h LYS 21 Ca -0.40 -0.60 -0.56 0.00 -1.87 0.00 0.00 60.65 57.22 2dll h LYS 21 Cb 1.29 0.09 -0.04 0.00 0.08 0.00 0.00 32.23 33.65 2dll h LYS 21 CO 0.49 1.22 -0.08 0.71 -0.57 0.00 0.00 179.45 181.22 2dll s TYR 22 N -3.98 3.64 0.59 -1.35 1.51 -1.26 -5.07 117.35 111.42 2dll s TYR 22 Ca -0.11 1.09 -0.18 0.00 -1.01 0.00 0.00 57.07 56.87 2dll s TYR 22 Cb 0.09 -2.39 -0.04 0.00 -0.11 0.00 0.00 41.96 39.52 2dll s TYR 22 CO 0.90 0.45 1.12 -1.25 -1.11 0.00 0.00 175.55 175.66 2dll s PRO 23 N -1.83 3.14 0.00 -1.71 0.04 -1.26 -3.47 135.00 129.91 2dll s PRO 23 Ca 0.36 1.52 0.00 0.00 0.04 0.00 0.00 61.00 62.93 2dll s PRO 23 Cb -0.16 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.40 2dll s PRO 23 CO 0.19 -1.00 0.00 0.41 0.04 0.00 0.00 177.00 176.64 2dll n GLY 24 N -0.11 1.12 3.58 0.56 0.00 -1.26 -4.64 105.19 104.43 2dll n GLY 24 Ca 0.11 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 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 3.42 -0.08 0.99 2.96 -1.23 -4.54 118.68 120.21 2dll s LEU 25 Ca 0.00 1.11 -0.22 0.00 -0.22 0.00 0.00 54.13 54.80 2dll s LEU 25 Cb 0.00 -3.09 0.05 0.00 0.50 0.00 0.00 46.19 43.65 2dll s LEU 25 CO 0.00 -2.12 0.52 0.68 -1.32 0.00 0.00 176.35 174.11 2dll s VAL 26 N 8.56 0.02 -0.21 1.68 -7.23 -1.22 -4.73 120.40 117.26 2dll s VAL 26 Ca 0.83 -0.16 -0.29 0.00 -1.81 0.00 0.00 61.98 60.54 2dll s VAL 26 Cb -0.21 -0.80 0.00 0.00 0.56 0.00 0.00 36.38 35.93 2dll s VAL 26 CO 0.29 -0.09 1.14 0.26 -0.31 0.00 0.00 175.10 176.40 2dll s TRP 27 N -0.84 3.10 0.49 2.82 0.52 -1.26 -1.91 118.94 121.86 2dll s TRP 27 Ca -0.09 1.24 0.15 0.00 0.02 0.00 0.00 56.10 57.42 2dll s TRP 27 Cb -0.03 -3.42 1.16 0.00 -1.15 0.00 0.00 33.47 30.03 2dll s TRP 27 CO 0.06 -1.05 2.09 0.93 0.02 0.00 0.00 176.95 179.00 2dll h GLU 28 N 7.88 0.02 -5.27 4.98 5.08 0.86 -3.44 114.58 124.68 2dll h GLU 28 Ca -0.22 -0.00 -0.65 0.00 -1.00 0.00 0.00 59.36 57.48 2dll h GLU 28 Cb 1.08 -0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.19 2dll h GLU 28 CO 0.98 0.08 -0.54 0.54 -1.00 0.00 0.00 179.01 179.08 2dll s ASN 29 N -7.03 3.88 0.05 1.42 2.20 -1.22 -5.04 114.94 109.21 2dll s ASN 29 Ca -0.05 -1.59 0.04 0.00 -0.94 0.00 0.00 52.86 50.32 2dll s ASN 29 Cb 0.17 0.32 -0.24 0.00 -2.00 0.00 0.00 41.25 39.50 2dll s ASN 29 CO 0.68 -0.78 1.02 -0.33 -2.94 0.00 0.00 177.10 174.76 2dll h GLU 30 N 1.50 0.10 0.00 3.55 3.07 -1.93 -3.26 114.58 117.61 2dll h GLU 30 Ca -0.43 -0.17 0.00 0.00 -0.50 0.00 0.00 59.36 58.27 2dll h GLU 30 Cb 1.29 0.06 0.00 0.00 -0.84 0.00 0.00 28.75 29.27 2dll h GLU 30 CO 0.74 0.95 0.06 -0.85 -1.40 0.00 0.00 179.01 178.51 2dll n GLU 31 N -3.33 0.05 -2.84 2.33 0.28 -1.26 -4.79 120.64 111.08 2dll n GLU 31 Ca -0.09 0.52 -0.18 0.00 -0.16 0.00 0.00 57.16 57.25 2dll n GLU 31 Cb 1.00 -1.73 0.03 0.00 1.43 0.00 0.00 31.44 32.16 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 -1.76 -3.86 -0.08 3.44 4.76 -1.23 -4.90 118.16 114.52 2dll n LYS 32 Ca -0.01 0.76 -0.11 0.00 -2.87 0.00 0.00 58.31 56.09 2dll n LYS 32 Cb 0.08 -5.28 -0.09 0.00 -1.84 0.00 0.00 35.03 27.89 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 -1.73 2.27 -4.63 4.39 2.88 -1.26 -4.98 113.62 110.56 2dll n SER 33 Ca -0.10 -0.07 -0.35 0.00 -1.33 0.00 0.00 58.87 57.02 2dll n SER 33 Cb 0.60 0.05 -0.10 0.00 -0.75 0.00 0.00 64.21 64.01 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 -2.36 4.19 0.29 2.46 1.01 -1.26 -1.97 121.20 123.57 2dll s ILE 34 Ca -0.19 -0.28 -0.06 0.00 0.00 0.00 0.00 60.65 60.11 2dll s ILE 34 Cb 0.06 -2.78 -0.00 0.00 0.01 0.00 0.00 42.46 39.74 2dll s ILE 34 CO 0.47 0.57 0.45 0.72 0.00 0.00 0.00 174.94 177.15 2dll s PHE 35 N -0.56 0.79 -0.03 3.97 -0.71 -1.14 0.14 117.98 120.44 2dll s PHE 35 Ca 0.09 -1.08 0.02 0.00 -1.04 0.00 0.00 56.93 54.92 2dll s PHE 35 Cb -0.12 -0.01 0.01 0.00 -1.21 0.00 0.00 43.02 41.69 2dll s PHE 35 CO 0.02 -1.04 -0.09 -0.98 -1.34 0.00 0.00 175.22 171.79 2dll s ARG 36 N -3.51 1.05 -0.10 1.99 1.70 -0.80 -2.49 118.95 116.79 2dll s ARG 36 Ca 0.28 -0.29 0.01 0.00 -0.47 0.00 0.00 55.73 55.27 2dll s ARG 36 Cb 0.00 -0.96 -0.02 0.00 -0.57 0.00 0.00 34.95 33.40 2dll s ARG 36 CO 0.15 0.07 -0.14 -1.50 -1.08 0.00 0.00 175.30 172.80 2dll s ILE 37 N 0.38 3.04 -0.44 4.99 2.07 0.21 -3.40 121.20 128.05 2dll s ILE 37 Ca -0.06 -0.69 -0.28 0.00 -1.41 0.00 0.00 60.65 58.21 2dll s ILE 37 Cb -0.11 -2.24 -0.01 0.00 0.13 0.00 0.00 42.46 40.23 2dll s ILE 37 CO 0.01 0.55 1.75 -2.16 -1.91 0.00 0.00 174.94 173.18 2dll s PRO 38 N -0.10 3.13 -0.06 3.50 0.04 -1.26 0.37 135.00 140.61 2dll s PRO 38 Ca -0.02 1.05 0.06 0.00 0.04 0.00 0.00 61.00 62.13 2dll s PRO 38 Cb -0.14 -4.23 0.27 0.00 0.04 0.00 0.00 34.50 30.44 2dll s PRO 38 CO 0.04 -2.11 1.02 1.87 0.04 0.00 0.00 177.00 177.85 2dll n TRP 39 N 10.89 0.63 -0.77 0.56 -0.00 -0.93 -4.94 117.44 122.88 2dll n TRP 39 Ca 0.21 -0.23 -0.33 0.00 -0.00 0.00 0.00 57.50 57.15 2dll n TRP 39 Cb 0.49 -0.17 0.13 0.00 -0.00 0.00 0.00 31.31 31.75 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 0.24 -0.38 -3.53 5.87 5.02 -1.25 -4.95 118.16 119.18 2dll n LYS 40 Ca 0.10 -0.07 -0.23 0.00 -2.02 0.00 0.00 58.31 56.09 2dll n LYS 40 Cb 0.48 -1.93 0.02 0.00 -0.02 0.00 0.00 35.03 33.58 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 -2.43 1.59 0.08 2.13 -3.43 -1.26 -5.04 115.29 106.93 2dll s HIS 41 Ca 0.58 -0.78 -0.22 0.00 -0.80 0.00 0.00 55.06 53.85 2dll s HIS 41 Cb -0.21 -2.04 -0.13 0.00 -1.43 0.00 0.00 32.58 28.77 2dll s HIS 41 CO 0.66 -0.73 1.64 0.00 -2.00 0.00 0.00 174.74 174.31 2dll h ALA 42 N 0.53 0.12 -0.97 -1.38 0.00 -2.01 -3.46 119.26 112.10 2dll h ALA 42 Ca -0.34 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2dll h ALA 42 Cb 1.30 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2dll h ALA 42 CO 0.51 -0.32 0.00 0.41 0.00 0.00 0.00 179.25 179.84 2dll n GLY 43 N -0.79 1.50 3.53 0.00 0.00 -1.26 -4.36 105.19 103.80 2dll n GLY 43 Ca -0.06 0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.91 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 0.00 3.30 0.22 1.61 2.36 -1.26 -4.91 119.74 121.06 2dll s LYS 44 Ca 0.00 -0.25 -0.13 0.00 -2.55 0.00 0.00 55.97 53.05 2dll s LYS 44 Cb 0.00 -4.10 0.27 0.00 -1.05 0.00 0.00 37.83 32.95 2dll s LYS 44 CO 0.00 -1.72 1.61 0.37 1.55 0.00 0.00 175.35 177.16 2dll h GLN 45 N 9.55 -0.01 -1.42 4.03 -0.00 -2.01 0.56 115.11 125.82 2dll h GLN 45 Ca -0.27 0.00 0.41 0.00 -0.00 0.00 0.00 58.65 58.80 2dll h GLN 45 Cb 1.06 0.00 -0.07 0.00 0.00 0.00 0.00 27.48 28.48 2dll h GLN 45 CO 1.17 -0.01 1.00 -0.44 0.00 0.00 0.00 178.83 180.56 2dll h ASP 46 N -0.01 0.06 -2.91 -0.69 5.19 -1.94 -3.41 116.42 112.71 2dll h ASP 46 Ca 0.33 0.02 -0.39 0.00 -0.62 0.00 0.00 57.03 56.37 2dll h ASP 46 Cb 0.52 0.01 0.21 0.00 0.18 0.00 0.00 39.33 40.26 2dll h ASP 46 CO -0.72 -0.01 -0.18 0.00 -3.12 0.00 0.00 179.24 175.20 2dll n TYR 47 N -4.20 -2.58 -2.55 4.55 4.11 0.20 -4.88 117.16 111.81 2dll n TYR 47 Ca 0.32 -0.45 -0.43 0.00 -0.00 0.00 0.00 57.90 57.34 2dll n TYR 47 Cb 1.46 -1.50 -0.02 0.00 -0.00 0.00 0.00 39.34 39.28 2dll n TYR 47 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.86 176.06 2dll s ASN 48 N -2.64 6.54 -0.13 9.48 -0.87 -1.26 -4.84 114.94 121.23 2dll s ASN 48 Ca 0.65 0.47 0.19 0.00 -1.57 0.00 0.00 52.86 52.61 2dll s ASN 48 Cb -0.18 -2.55 -0.28 0.00 -0.02 0.00 0.00 41.25 38.23 2dll s ASN 48 CO 0.60 -1.33 0.25 -2.11 -2.57 0.00 0.00 177.10 171.94 2dll n ARG 49 N 7.99 0.68 -0.09 -0.60 0.00 -1.26 -3.57 116.66 119.81 2dll n ARG 49 Ca 0.12 -0.06 -0.11 0.00 -0.00 0.00 0.00 57.85 57.80 2dll n ARG 49 Cb 0.49 -1.53 -0.04 0.00 -0.00 0.00 0.00 32.46 31.37 2dll n ARG 49 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.63 179.12 2dll h GLU 50 N 0.00 0.46 0.05 2.89 4.81 -1.90 0.27 114.58 121.16 2dll h GLU 50 Ca -0.34 -0.14 -0.00 0.00 -0.13 0.00 0.00 59.36 58.75 2dll h GLU 50 Cb 1.78 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 31.12 2dll h GLU 50 CO 0.02 0.62 -0.03 0.93 -0.73 0.00 0.00 179.01 179.82 2dll h GLU 51 N 0.24 -0.07 -0.93 1.92 3.07 -1.98 0.19 114.58 117.03 2dll h GLU 51 Ca 0.08 0.00 0.02 0.00 -0.50 0.00 0.00 59.36 58.96 2dll h GLU 51 Cb 0.41 0.02 -0.05 0.00 -0.84 0.00 0.00 28.75 28.29 2dll h GLU 51 CO 0.01 0.54 0.61 0.22 -1.40 0.00 0.00 179.01 179.00 2dll h ASP 52 N -0.83 1.04 -0.63 1.42 1.82 -1.64 -1.67 116.42 115.93 2dll h ASP 52 Ca -0.01 -0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.61 2dll h ASP 52 Cb 0.65 -0.25 0.00 0.00 0.68 0.00 0.00 39.33 40.40 2dll h ASP 52 CO 0.01 0.74 0.00 0.00 -1.61 0.00 0.00 179.24 178.39 2dll n ALA 53 N -2.36 3.47 0.12 -0.78 0.00 0.96 -4.51 120.51 117.41 2dll n ALA 53 Ca 0.11 -1.75 -0.13 0.00 0.00 0.00 0.00 53.44 51.66 2dll n ALA 53 Cb 0.04 -1.07 -0.08 0.00 0.00 0.00 0.00 19.45 18.33 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 4.13 -0.26 -0.54 0.00 0.00 0.38 -1.86 119.26 121.10 2dll h ALA 54 Ca 0.00 -0.13 0.08 0.00 0.00 0.00 0.00 54.91 54.87 2dll h ALA 54 Cb 1.71 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 19.54 2dll h ALA 54 CO 0.36 -0.56 0.17 1.25 0.00 0.00 0.00 179.25 180.47 2dll h LEU 55 N -0.45 0.14 0.74 0.00 5.85 -1.79 -1.05 115.31 118.75 2dll h LEU 55 Ca -0.03 0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 2dll h LEU 55 Cb 0.34 0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.44 2dll h LEU 55 CO 0.04 0.10 -0.46 -0.26 -0.34 0.00 0.00 178.44 177.52 2dll h PHE 56 N 0.34 -1.24 -0.72 1.25 0.04 -1.84 -2.79 116.94 111.98 2dll h PHE 56 Ca 0.27 -0.01 0.16 0.00 2.80 0.00 0.00 57.97 61.19 2dll h PHE 56 Cb 0.33 0.44 -0.12 0.00 2.20 0.00 0.00 35.95 38.80 2dll h PHE 56 CO -0.18 -0.69 0.02 0.87 -0.60 0.00 0.00 178.31 177.72 2dll h LYS 57 N -1.13 0.11 -0.83 1.51 1.57 -1.10 0.14 116.57 116.84 2dll h LYS 57 Ca -0.10 -0.01 0.20 0.00 -1.87 0.00 0.00 60.65 58.87 2dll h LYS 57 Cb 0.91 -0.03 -0.12 0.00 0.08 0.00 0.00 32.23 33.07 2dll h LYS 57 CO 0.09 0.08 0.28 0.00 -0.57 0.00 0.00 179.45 179.33 2dll h ALA 58 N 1.67 1.21 0.22 3.86 0.00 -0.98 0.19 119.26 125.42 2dll h ALA 58 Ca 0.39 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.46 2dll h ALA 58 Cb 0.68 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.67 2dll h ALA 58 CO -0.62 -0.35 -0.11 2.35 0.00 0.00 0.00 179.25 180.52 2dll h TRP 59 N 0.32 -0.27 -0.47 0.00 -0.00 -0.50 0.52 115.95 115.55 2dll h TRP 59 Ca 0.50 -0.01 0.09 0.00 -0.00 0.00 0.00 58.89 59.47 2dll h TRP 59 Cb 0.91 0.09 -0.08 0.00 -0.00 0.00 0.00 29.16 30.08 2dll h TRP 59 CO -0.21 0.09 -0.06 0.00 -0.00 0.00 0.00 178.44 178.26 2dll h ALA 60 N -0.05 0.38 -0.19 2.65 0.00 -0.45 0.22 119.26 121.81 2dll h ALA 60 Ca -0.03 0.16 -0.20 0.00 0.00 0.00 0.00 54.91 54.84 2dll h ALA 60 Cb 0.48 0.30 0.01 0.00 0.00 0.00 0.00 17.79 18.57 2dll h ALA 60 CO 0.05 -0.42 -0.67 -0.07 0.00 0.00 0.00 179.25 178.14 2dll h LEU 61 N 0.05 0.92 0.51 0.00 3.38 -0.70 0.27 115.31 119.74 2dll h LEU 61 Ca 0.23 -0.60 -0.01 0.00 0.09 0.00 0.00 57.88 57.59 2dll h LEU 61 Cb 0.35 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2dll h LEU 61 CO -0.44 1.36 -0.40 0.15 0.09 0.00 0.00 178.44 179.20 2dll h PHE 62 N 0.54 -1.09 0.14 1.13 3.04 0.79 -3.34 116.94 118.14 2dll h PHE 62 Ca -0.03 -0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.91 2dll h PHE 62 Cb 1.29 0.41 0.00 0.00 2.56 0.00 0.00 35.95 40.21 2dll h PHE 62 CO 0.09 -0.58 -0.07 -0.22 -2.02 0.00 0.00 178.31 175.51 2dll h LYS 63 N -0.90 -0.18 0.00 1.11 1.63 -0.68 -3.47 116.57 114.08 2dll h LYS 63 Ca -0.06 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.76 2dll h LYS 63 Cb 0.77 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.44 2dll h LYS 63 CO -0.00 -0.12 0.00 0.41 -3.45 0.00 0.00 179.45 176.29 2dll n GLY 64 N 0.83 0.53 2.61 5.01 0.00 0.08 -5.08 105.19 109.17 2dll n GLY 64 Ca -0.02 -1.71 -0.27 0.00 0.00 0.00 0.00 46.02 44.02 2dll n GLY 64 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2dll s LYS 65 N 1.08 0.14 -0.03 1.61 2.47 -1.25 -4.44 119.74 119.33 2dll s LYS 65 Ca 0.00 -0.20 0.07 0.00 -1.56 0.00 0.00 55.97 54.29 2dll s LYS 65 Cb 0.00 -1.75 -0.02 0.00 -1.46 0.00 0.00 37.83 34.61 2dll s LYS 65 CO 0.00 -0.73 -0.25 0.12 0.16 0.00 0.00 175.35 174.65 2dll s PHE 66 N 2.10 2.37 -0.25 4.03 5.36 -1.26 -5.03 117.98 125.30 2dll s PHE 66 Ca 0.03 -0.48 -0.21 0.00 -0.96 0.00 0.00 56.93 55.32 2dll s PHE 66 Cb -0.16 -1.53 -0.02 0.00 -0.34 0.00 0.00 43.02 40.97 2dll s PHE 66 CO -0.14 -0.06 0.65 1.03 -1.46 0.00 0.00 175.22 175.24 2dll s ARG 67 N -0.53 4.12 -0.04 10.12 0.52 -1.26 -4.96 118.95 126.92 2dll s ARG 67 Ca 0.08 0.59 -0.18 0.00 -0.52 0.00 0.00 55.73 55.70 2dll s ARG 67 Cb -0.11 -3.64 -0.11 0.00 0.52 0.00 0.00 34.95 31.61 2dll s ARG 67 CO -0.00 -0.41 0.75 1.49 0.02 0.00 0.00 175.30 177.15 2dll h GLU 68 N 7.85 -0.43 0.00 3.54 4.22 -1.96 -3.09 114.58 124.71 2dll h GLU 68 Ca -0.27 0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.20 2dll h GLU 68 Cb 1.12 0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.47 2dll h GLU 68 CO 0.78 -0.16 -0.01 0.78 -2.18 0.00 0.00 179.01 178.23 2dll h GLY 69 N -1.03 0.00 -0.83 1.92 0.00 -1.99 -3.37 103.07 97.78 2dll h GLY 69 Ca -0.05 0.00 0.31 0.00 0.00 0.00 0.00 47.33 47.60 2dll h GLY 69 CO 0.07 0.00 0.28 -2.22 0.00 0.00 0.00 176.54 174.67 2dll h ILE 70 N -0.37 0.10 -2.45 2.60 2.04 -2.00 -3.39 117.51 114.04 2dll h ILE 70 Ca 0.00 -0.03 -0.56 0.00 1.00 0.00 0.00 64.86 65.28 2dll h ILE 70 Cb 0.01 0.02 -0.08 0.00 -0.74 0.00 0.00 36.82 36.02 2dll h ILE 70 CO 0.00 0.01 -0.60 -1.81 0.00 0.00 0.00 178.15 175.75 2dll s ASP 71 N -4.87 5.02 0.05 1.72 1.01 -1.17 -5.08 116.67 113.35 2dll s ASP 71 Ca -0.11 -0.39 -0.24 0.00 0.71 0.00 0.00 52.55 52.51 2dll s ASP 71 Cb 0.30 -1.13 -0.06 0.00 1.01 0.00 0.00 42.92 43.04 2dll s ASP 71 CO 0.78 0.02 0.73 -0.54 0.21 0.00 0.00 175.17 176.37 2dll s LYS 72 N -3.45 4.46 0.22 8.23 3.01 -1.26 -4.33 119.74 126.62 2dll s LYS 72 Ca 0.31 1.01 -0.30 0.00 -1.01 0.00 0.00 55.97 55.97 2dll s LYS 72 Cb -0.08 -3.35 -0.09 0.00 -1.01 0.00 0.00 37.83 33.30 2dll s LYS 72 CO 0.21 0.33 1.29 -1.25 0.51 0.00 0.00 175.35 176.44 2dll s PRO 73 N -0.19 4.41 -0.27 -1.68 0.04 -1.26 -5.02 135.00 131.02 2dll s PRO 73 Ca 0.37 2.04 -0.04 0.00 0.04 0.00 0.00 61.00 63.41 2dll s PRO 73 Cb -0.20 -3.18 0.09 0.00 0.04 0.00 0.00 34.50 31.25 2dll s PRO 73 CO 0.22 -0.21 0.12 -0.51 0.04 0.00 0.00 177.00 176.66 2dll s ASP 74 N 0.16 3.36 0.28 6.66 1.11 -1.26 -5.02 116.67 121.97 2dll s ASP 74 Ca 0.55 -1.19 0.02 0.00 0.18 0.00 0.00 52.55 52.11 2dll s ASP 74 Cb -0.36 -0.39 0.68 0.00 1.07 0.00 0.00 42.92 43.92 2dll s ASP 74 CO 0.40 -0.42 1.69 -0.65 1.18 0.00 0.00 175.17 177.37 2dll h PRO 75 N 8.38 0.36 -0.81 8.23 0.11 -1.99 -1.17 132.00 145.10 2dll h PRO 75 Ca -0.18 -0.02 0.19 0.00 0.11 0.00 0.00 66.00 66.10 2dll h PRO 75 Cb 1.04 -0.08 -0.12 0.00 0.11 0.00 0.00 31.00 31.95 2dll h PRO 75 CO 0.41 0.24 0.24 -1.35 -0.21 0.00 0.00 178.00 177.33 2dll h PRO 76 N 0.37 0.28 -0.16 1.05 0.11 -1.99 0.31 132.00 131.96 2dll h PRO 76 Ca 0.53 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.63 2dll h PRO 76 Cb 1.00 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.04 2dll h PRO 76 CO -0.53 0.18 0.10 1.15 -0.21 0.00 0.00 178.00 178.69 2dll h THR 77 N 0.29 1.08 0.59 -1.15 2.02 -1.65 -2.51 112.91 111.58 2dll h THR 77 Ca 0.48 -0.20 -0.03 0.00 0.77 0.00 0.00 66.41 67.43 2dll h THR 77 Cb 0.88 0.91 0.01 0.00 -1.74 0.00 0.00 68.15 68.21 2dll h THR 77 CO -0.55 0.07 -0.29 -0.50 0.37 0.00 0.00 175.52 174.62 2dll h TRP 78 N 0.19 -0.74 -0.93 3.16 6.55 -1.17 -0.76 115.95 122.25 2dll h TRP 78 Ca 0.06 -0.02 0.18 0.00 0.95 0.00 0.00 58.89 60.06 2dll h TRP 78 Cb 0.03 0.24 -0.17 0.00 -0.86 0.00 0.00 29.16 28.40 2dll h TRP 78 CO -0.05 -0.41 -0.25 1.17 -1.05 0.00 0.00 178.44 177.85 2dll n LYS 79 N -5.33 -0.10 0.15 0.49 0.00 0.96 -0.86 118.16 113.47 2dll n LYS 79 Ca -0.11 1.45 -0.12 0.00 0.00 0.00 0.00 58.31 59.53 2dll n LYS 79 Cb 0.34 -2.17 -0.08 0.00 0.00 0.00 0.00 35.03 33.12 2dll n LYS 79 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 2dll h THR 80 N 0.00 0.63 -0.79 3.15 2.02 -1.45 -1.74 112.91 114.73 2dll h THR 80 Ca 0.43 -0.69 0.10 0.00 0.77 0.00 0.00 66.41 67.03 2dll h THR 80 Cb 0.67 0.95 -0.12 0.00 -1.74 0.00 0.00 68.15 67.91 2dll h THR 80 CO -0.96 0.12 -0.36 0.54 0.37 0.00 0.00 175.52 175.23 2dll n ARG 81 N -5.11 -0.24 0.21 6.66 5.12 -0.04 -0.95 116.66 122.32 2dll n ARG 81 Ca -0.09 1.21 -0.13 0.00 -1.93 0.00 0.00 57.85 56.91 2dll n ARG 81 Cb 0.27 -1.79 -0.07 0.00 -1.16 0.00 0.00 32.46 29.71 2dll n ARG 81 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 2dll h LEU 82 N 0.00 -0.48 -0.76 0.55 5.85 -1.37 -3.20 115.31 115.89 2dll h LEU 82 Ca 0.22 -0.11 0.20 0.00 0.84 0.00 0.00 57.88 59.03 2dll h LEU 82 Cb 0.42 0.12 -0.14 0.00 0.37 0.00 0.00 40.66 41.43 2dll h LEU 82 CO -0.77 -0.09 -0.04 -1.14 -0.34 0.00 0.00 178.44 176.06 2dll n ARG 83 N -5.19 -0.06 0.24 1.25 0.63 -0.13 0.47 116.66 113.86 2dll n ARG 83 Ca -0.10 1.16 -0.16 0.00 -0.92 0.00 0.00 57.85 57.83 2dll n ARG 83 Cb 0.29 -1.81 -0.08 0.00 0.45 0.00 0.00 32.46 31.31 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 -0.47 0.64 -0.13 0.00 0.00 -0.00 0.19 119.26 119.50 2dll h ALA 85 Ca -0.03 0.22 0.02 0.00 0.00 0.00 0.00 54.91 55.12 2dll h ALA 85 Cb 0.74 0.40 -0.04 0.00 0.00 0.00 0.00 17.79 18.89 2dll h ALA 85 CO -0.08 -0.41 -0.34 1.25 0.00 0.00 0.00 179.25 179.68 2dll h LEU 86 N 0.09 -1.09 -0.68 0.00 5.85 -0.99 0.22 115.31 118.71 2dll h LEU 86 Ca 0.36 0.13 0.03 0.00 0.84 0.00 0.00 57.88 59.24 2dll h LEU 86 Cb 0.60 0.43 -0.04 0.00 0.37 0.00 0.00 40.66 42.01 2dll h LEU 86 CO -0.62 -0.28 0.42 -1.13 -0.34 0.00 0.00 178.44 176.49 2dll h ASN 87 N -0.33 0.68 -0.95 1.25 -1.24 -1.13 -2.09 115.58 111.77 2dll h ASN 87 Ca 0.03 0.00 0.14 0.00 0.71 0.00 0.00 56.30 57.18 2dll h ASN 87 Cb 0.40 -0.14 -0.09 0.00 0.73 0.00 0.00 38.32 39.22 2dll h ASN 87 CO -0.30 0.47 0.56 0.11 -1.29 0.00 0.00 177.43 176.98 2dll h LYS 88 N 0.81 0.79 -6.30 6.67 1.79 0.14 -3.41 116.57 117.06 2dll h LYS 88 Ca 0.27 -0.05 -0.65 0.00 -2.18 0.00 0.00 60.65 58.05 2dll h LYS 88 Cb 0.04 -0.18 0.03 0.00 -1.58 0.00 0.00 32.23 30.54 2dll h LYS 88 CO -0.11 0.52 0.88 0.45 -1.08 0.00 0.00 179.45 180.11 2dll n SER 89 N -4.74 2.82 -0.02 0.86 2.88 0.70 -4.86 113.62 111.26 2dll n SER 89 Ca 0.19 1.05 -0.07 0.00 -1.33 0.00 0.00 58.87 58.71 2dll n SER 89 Cb 0.43 -1.30 -0.13 0.00 -0.75 0.00 0.00 64.21 62.46 2dll n SER 89 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2dll n ASN 90 N 4.91 0.83 -0.23 -3.46 2.85 -1.26 -3.86 115.26 115.05 2dll n ASN 90 Ca 0.22 0.39 0.00 0.00 -0.11 0.00 0.00 54.58 55.08 2dll n ASN 90 Cb 0.24 0.02 0.01 0.00 1.24 0.00 0.00 39.78 41.28 2dll n ASN 90 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 2dll n ASP 91 N -3.00 0.48 -4.49 1.20 9.92 -1.26 -4.78 116.55 114.61 2dll n ASP 91 Ca -0.16 -2.01 -0.31 0.00 -0.53 0.00 0.00 54.79 51.78 2dll n ASP 91 Cb 1.02 -0.21 -0.12 0.00 -0.64 0.00 0.00 41.12 41.17 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 -1.59 2.64 0.11 1.24 0.40 -1.25 0.21 117.98 119.74 2dll s PHE 92 Ca 0.01 -0.21 0.06 0.00 -0.60 0.00 0.00 56.93 56.19 2dll s PHE 92 Cb 0.01 -1.49 -0.04 0.00 0.51 0.00 0.00 43.02 42.00 2dll s PHE 92 CO 0.00 0.29 -0.02 -2.00 0.70 0.00 0.00 175.22 174.20 2dll s GLU 93 N -1.48 2.45 -0.45 0.44 2.56 0.13 -4.82 118.70 117.54 2dll s GLU 93 Ca 0.15 -0.92 -0.20 0.00 0.00 0.00 0.00 54.97 54.00 2dll s GLU 93 Cb -0.11 -2.47 0.03 0.00 2.00 0.00 0.00 34.13 33.59 2dll s GLU 93 CO 0.06 0.52 0.63 -2.00 -0.56 0.00 0.00 175.26 173.91 2dll s GLU 94 N -2.42 3.24 -0.16 4.30 2.12 -1.26 -2.39 118.70 122.12 2dll s GLU 94 Ca 0.25 -0.49 0.13 0.00 0.36 0.00 0.00 54.97 55.22 2dll s GLU 94 Cb -0.11 -3.98 0.64 0.00 0.26 0.00 0.00 34.13 30.94 2dll s GLU 94 CO 0.18 -1.05 1.50 1.28 -0.54 0.00 0.00 175.26 176.63 2dll n LEU 95 N 6.23 4.55 -0.54 2.70 4.77 -1.04 -4.58 117.00 129.09 2dll n LEU 95 Ca -0.03 -2.30 0.41 0.00 -0.03 0.00 0.00 56.01 54.05 2dll n LEU 95 Cb 0.47 -0.61 0.63 0.00 -2.33 0.00 0.00 43.42 41.59 2dll n LEU 95 CO 0.53 0.60 1.14 0.55 -1.33 0.00 0.00 177.39 178.88 2dll n VAL 96 N 0.65 -0.02 -0.26 4.08 3.14 -1.25 0.16 118.33 124.83 2dll n VAL 96 Ca 0.22 1.18 0.04 0.00 -2.96 0.00 0.00 64.34 62.82 2dll n VAL 96 Cb 0.93 -1.96 0.17 0.00 -1.06 0.00 0.00 33.84 31.91 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 0.54 0.00 1.45 3.07 -1.93 -1.20 114.58 116.52 2dll h GLU 97 Ca 0.73 -0.03 -0.07 0.00 -0.50 0.00 0.00 59.36 59.48 2dll h GLU 97 Cb 2.87 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 30.65 2dll h GLU 97 CO -0.04 0.36 -0.90 0.00 -1.40 0.00 0.00 179.01 177.02 2dll h ARG 98 N 0.56 0.00 -6.47 2.33 3.08 0.11 -3.47 114.38 110.53 2dll h ARG 98 Ca 0.39 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.83 2dll h ARG 98 Cb 0.50 0.00 0.08 0.00 0.08 0.00 0.00 29.97 30.62 2dll h ARG 98 CO -0.33 0.19 0.50 0.43 -1.07 0.00 0.00 179.97 179.69 2dll n SER 99 N -2.91 2.21 -3.94 7.04 7.64 -0.45 -4.92 113.62 118.29 2dll n SER 99 Ca -0.02 1.13 -0.31 0.00 1.01 0.00 0.00 58.87 60.69 2dll n SER 99 Cb 0.68 -1.34 -0.15 0.00 -1.01 0.00 0.00 64.21 62.39 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 -0.20 1.45 -0.01 1.43 -1.52 -1.12 -4.93 119.66 114.76 2dll s GLN 100 Ca 0.72 -1.32 0.15 0.00 -1.95 0.00 0.00 55.36 52.96 2dll s GLN 100 Cb -0.74 -2.69 -0.20 0.00 -0.22 0.00 0.00 33.01 29.15 2dll s GLN 100 CO 0.49 -0.78 0.44 1.28 -0.25 0.00 0.00 175.29 176.47 2dll n LEU 101 N 4.55 0.26 -0.50 2.90 4.77 -1.26 -2.10 117.00 125.62 2dll n LEU 101 Ca -0.05 -0.19 0.03 0.00 -0.03 0.00 0.00 56.01 55.76 2dll n LEU 101 Cb 0.43 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.61 2dll n LEU 101 CO 0.18 0.07 0.53 -0.67 -1.33 0.00 0.00 177.39 176.16 2dll n ASP 102 N -1.76 1.37 -4.76 -1.43 -0.08 -1.26 -4.57 116.55 104.07 2dll n ASP 102 Ca -0.01 -2.07 -0.22 0.00 -1.51 0.00 0.00 54.79 50.98 2dll n ASP 102 Cb 0.33 -0.25 -0.05 0.00 2.34 0.00 0.00 41.12 43.48 2dll n ASP 102 CO 0.00 0.00 0.00 0.27 0.12 0.00 0.00 177.20 177.59 2dll s ILE 103 N -1.66 4.00 0.18 5.18 -4.36 -1.26 -5.02 121.20 118.26 2dll s ILE 103 Ca 0.13 -1.58 -0.16 0.00 -0.26 0.00 0.00 60.65 58.78 2dll s ILE 103 Cb 0.08 -3.19 0.15 0.00 1.25 0.00 0.00 42.46 40.75 2dll s ILE 103 CO 0.07 -0.34 1.26 -0.24 0.24 0.00 0.00 174.94 175.93 2dll n SER 104 N -1.10 -0.59 -4.14 4.36 2.88 -1.26 -3.32 113.62 110.45 2dll n SER 104 Ca -0.07 1.42 -0.36 0.00 -1.33 0.00 0.00 58.87 58.53 2dll n SER 104 Cb 0.58 -0.30 -0.12 0.00 -0.75 0.00 0.00 64.21 63.63 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 -5.31 5.24 0.45 -3.46 1.01 -1.26 -5.09 116.67 108.24 2dll s ASP 105 Ca -0.11 -1.86 -0.23 0.00 0.71 0.00 0.00 52.55 51.06 2dll s ASP 105 Cb 0.15 -1.83 -0.08 0.00 1.01 0.00 0.00 42.92 42.18 2dll s ASP 105 CO 0.57 -0.50 1.17 -2.16 0.21 0.00 0.00 175.17 174.46 2dll s PRO 106 N 1.19 3.80 -0.08 8.23 0.04 -1.21 -4.88 135.00 142.08 2dll s PRO 106 Ca 0.06 1.79 -0.28 0.00 0.04 0.00 0.00 61.00 62.61 2dll s PRO 106 Cb -0.22 -2.45 0.06 0.00 0.04 0.00 0.00 34.50 31.93 2dll s PRO 106 CO -0.03 -0.52 0.64 1.52 0.04 0.00 0.00 177.00 178.65 2dll s TYR 107 N -1.52 -0.62 -0.16 0.56 -0.85 -0.89 -2.19 117.35 111.67 2dll s TYR 107 Ca 0.63 1.16 -0.05 0.00 -0.52 0.00 0.00 57.07 58.29 2dll s TYR 107 Cb -0.29 0.35 -0.03 0.00 0.38 0.00 0.00 41.96 42.37 2dll s TYR 107 CO 0.35 -0.54 -0.01 0.15 -1.52 0.00 0.00 175.55 173.99 2dll s LYS 108 N -0.93 3.77 -0.06 -3.49 1.02 0.16 -2.78 119.74 117.43 2dll s LYS 108 Ca -0.09 -0.46 -0.04 0.00 0.02 0.00 0.00 55.97 55.39 2dll s LYS 108 Cb -0.01 -3.01 -0.04 0.00 -0.52 0.00 0.00 37.83 34.25 2dll s LYS 108 CO 0.08 0.25 0.14 0.08 -0.92 0.00 0.00 175.35 174.98 2dll s VAL 109 N 0.36 5.30 0.02 3.17 1.01 -1.26 -0.62 120.40 128.37 2dll s VAL 109 Ca -0.02 -0.05 -0.06 0.00 0.00 0.00 0.00 61.98 61.86 2dll s VAL 109 Cb -0.14 -3.38 -0.01 0.00 0.00 0.00 0.00 36.38 32.85 2dll s VAL 109 CO 0.02 0.47 0.10 -0.31 0.00 0.00 0.00 175.10 175.38 2dll s TYR 110 N -1.16 0.14 -0.13 5.22 1.51 -1.04 -2.50 117.35 119.39 2dll s TYR 110 Ca 0.21 -0.35 0.02 0.00 -1.01 0.00 0.00 57.07 55.93 2dll s TYR 110 Cb -0.12 -0.11 0.00 0.00 -0.11 0.00 0.00 41.96 41.62 2dll s TYR 110 CO 0.11 -0.32 -0.20 0.50 -1.11 0.00 0.00 175.55 174.54 2dll s ARG 111 N -1.99 3.13 -0.61 -0.62 3.52 -1.01 -2.89 118.95 118.49 2dll s ARG 111 Ca -0.10 -0.81 -0.27 0.00 -0.13 0.00 0.00 55.73 54.42 2dll s ARG 111 Cb -0.05 -2.47 0.00 0.00 -1.56 0.00 0.00 34.95 30.87 2dll s ARG 111 CO -0.02 0.09 1.58 0.42 -0.81 0.00 0.00 175.30 176.56 2dll s ILE 112 N 0.60 3.58 -0.13 4.11 1.01 -0.83 0.20 121.20 129.73 2dll s ILE 112 Ca -0.11 0.41 -0.29 0.00 0.00 0.00 0.00 60.65 60.66 2dll s ILE 112 Cb -0.16 -4.32 -0.02 0.00 0.01 0.00 0.00 42.46 37.97 2dll s ILE 112 CO 0.03 -1.20 1.16 -0.69 0.00 0.00 0.00 174.94 174.24 2dll s VAL 113 N 7.21 4.43 0.54 2.92 1.01 0.57 -4.96 120.40 132.12 2dll s VAL 113 Ca 0.55 1.73 -0.09 0.00 0.00 0.00 0.00 61.98 64.17 2dll s VAL 113 Cb -0.11 -4.11 0.13 0.00 0.00 0.00 0.00 36.38 32.28 2dll s VAL 113 CO 0.21 -0.08 0.48 -0.81 0.00 0.00 0.00 175.10 174.90 2dll n PRO 114 N 5.82 -1.95 -1.63 2.72 -0.04 -1.26 -4.58 135.00 134.08 2dll n PRO 114 Ca 0.12 -0.76 -0.30 0.00 -0.04 0.00 0.00 63.50 62.52 2dll n PRO 114 Cb 0.46 -0.71 0.20 0.00 -0.04 0.00 0.00 33.50 33.41 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 -4.08 0.06 0.05 0.54 -1.05 -1.26 -4.99 118.70 107.98 2dll s GLU 115 Ca 0.31 -0.26 0.07 0.00 -0.15 0.00 0.00 54.97 54.94 2dll s GLU 115 Cb -0.03 -1.76 -0.03 0.00 -0.44 0.00 0.00 34.13 31.87 2dll s GLU 115 CO 0.24 -2.83 -0.21 -1.54 0.95 0.00 0.00 175.26 171.88 2dll s SER 116 N -4.52 2.46 0.17 0.83 1.04 -1.26 -5.15 113.70 107.27 2dll s SER 116 Ca 0.72 -0.54 -0.13 0.00 0.48 0.00 0.00 55.95 56.48 2dll s SER 116 Cb -0.06 -0.19 0.01 0.00 0.10 0.00 0.00 66.02 65.88 2dll s SER 116 CO 0.54 0.14 0.40 -0.83 0.98 0.00 0.00 173.24 174.47 2dll s GLY 117 N -1.29 0.16 0.81 7.32 0.00 -1.26 -5.17 107.32 107.90 2dll s GLY 117 Ca 0.07 -0.52 -0.11 0.00 0.00 0.00 0.00 44.72 44.16 2dll s GLY 117 CO 0.02 -0.54 1.09 2.56 0.00 0.00 0.00 173.10 176.23 2dll s PRO 118 N -3.91 1.96 0.33 2.90 0.04 -1.26 -5.08 135.00 129.98 2dll s PRO 118 Ca 0.12 1.07 -0.07 0.00 0.04 0.00 0.00 61.00 62.16 2dll s PRO 118 Cb 0.01 -1.87 0.01 0.00 0.04 0.00 0.00 34.50 32.69 2dll s PRO 118 CO -0.02 -1.82 0.53 -1.54 0.04 0.00 0.00 177.00 174.19 2dll s SER 119 N -3.40 0.54 0.30 6.66 1.04 -1.26 -5.04 113.70 112.54 2dll s SER 119 Ca 0.62 -1.31 0.04 0.00 0.48 0.00 0.00 55.95 55.78 2dll s SER 119 Cb -0.17 0.68 0.78 0.00 0.10 0.00 0.00 66.02 67.41 2dll s SER 119 CO 0.56 -1.34 1.63 0.28 0.98 0.00 0.00 173.24 175.36 2dll h SER 120 N 2.12 -0.03 0.00 7.02 0.02 -2.11 -3.58 113.55 117.00 2dll h SER 120 Ca -0.29 0.21 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 2dll h SER 120 Cb 1.24 0.29 0.00 0.00 0.14 0.00 0.00 62.40 64.08 2dll h SER 120 CO 0.38 -0.21 0.00 0.61 -1.14 0.00 0.00 176.83 176.48