#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 3.44 1.13 1.61 0.01 -1.26 -5.07 113.70 113.57 2dll s SER 2 Ca 0.00 0.14 -0.16 0.00 1.31 0.00 0.00 55.95 57.24 2dll s SER 2 Cb 0.00 -0.27 0.25 0.00 0.21 0.00 0.00 66.02 66.21 2dll s SER 2 CO 0.00 -2.51 1.08 -0.44 0.41 0.00 0.00 173.24 171.78 2dll s SER 3 N -4.85 1.44 0.00 2.44 0.01 -1.26 -5.02 113.70 106.47 2dll s SER 3 Ca 0.72 0.98 0.00 0.00 1.31 0.00 0.00 55.95 58.96 2dll s SER 3 Cb -0.04 -1.48 0.00 0.00 0.21 0.00 0.00 66.02 64.70 2dll s SER 3 CO 0.51 -3.84 0.00 0.61 0.41 0.00 0.00 173.24 170.93 2dll n GLY 4 N -0.61 -1.07 0.10 3.44 0.00 -1.26 -5.05 105.19 100.74 2dll n GLY 4 Ca 0.08 0.46 -0.13 0.00 0.00 0.00 0.00 46.02 46.44 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 -0.13 -6.22 1.61 0.87 -2.07 -3.47 113.55 104.14 2dll h SER 5 Ca 0.00 -0.18 -0.46 0.00 -1.23 0.00 0.00 61.79 59.92 2dll h SER 5 Cb 0.00 0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 61.99 2dll h SER 5 CO 0.00 0.11 -0.77 -1.20 -0.53 0.00 0.00 176.83 174.43 2dll n SER 6 N -5.06 -3.99 -3.63 6.23 7.64 -1.26 -4.97 113.62 108.59 2dll n SER 6 Ca -0.08 -0.77 -0.26 0.00 1.01 0.00 0.00 58.87 58.76 2dll n SER 6 Cb 0.17 -4.01 -0.17 0.00 -1.01 0.00 0.00 64.21 59.20 2dll n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dll s GLY 7 N -3.58 0.40 -0.19 0.23 0.00 -1.26 -5.01 107.32 97.91 2dll s GLY 7 Ca 0.49 -0.37 -0.22 0.00 0.00 0.00 0.00 44.72 44.62 2dll s GLY 7 CO 0.82 1.69 0.31 1.70 0.00 0.00 0.00 173.10 177.62 2dll h LYS 8 N 8.39 0.02 -0.03 2.90 1.63 -2.01 -3.39 116.57 124.09 2dll h LYS 8 Ca -0.15 -0.04 -0.19 0.00 -0.85 0.00 0.00 60.65 59.43 2dll h LYS 8 Cb 1.14 0.01 0.01 0.00 -0.60 0.00 0.00 32.23 32.80 2dll h LYS 8 CO 0.30 1.02 -0.71 1.25 -3.45 0.00 0.00 179.45 177.86 2dll h LEU 9 N -0.93 0.68 -0.26 5.20 5.85 -1.97 -2.53 115.31 121.35 2dll h LEU 9 Ca -0.30 -0.72 0.02 0.00 0.84 0.00 0.00 57.88 57.72 2dll h LEU 9 Cb 1.31 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 42.10 2dll h LEU 9 CO -0.16 1.30 -0.15 -1.14 -0.34 0.00 0.00 178.44 177.95 2dll n ARG 10 N -4.11 -0.11 0.06 1.25 0.00 -1.26 0.06 116.66 112.54 2dll n ARG 10 Ca -0.10 0.92 -0.11 0.00 -0.00 0.00 0.00 57.85 58.56 2dll n ARG 10 Cb 0.72 -1.37 -0.08 0.00 0.00 0.00 0.00 32.46 31.73 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 -0.20 -0.70 -0.14 5.75 -1.75 -3.08 115.11 114.99 2dll h GLN 11 Ca 0.04 0.01 0.06 0.00 -0.15 0.00 0.00 58.65 58.62 2dll h GLN 11 Cb 0.11 0.05 -0.08 0.00 1.07 0.00 0.00 27.48 28.62 2dll h GLN 11 CO -0.24 0.23 -0.41 1.87 -2.65 0.00 0.00 178.83 177.63 2dll n TRP 12 N -4.93 -0.31 0.19 3.99 -0.00 -0.91 -0.57 117.44 114.90 2dll n TRP 12 Ca -0.08 0.88 -0.16 0.00 -0.00 0.00 0.00 57.50 58.14 2dll n TRP 12 Cb 0.27 -0.54 -0.09 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 -1.40 -0.97 5.87 5.85 -0.49 -1.85 115.31 122.31 2dll h LEU 13 Ca 0.11 0.13 0.32 0.00 0.84 0.00 0.00 57.88 59.29 2dll h LEU 13 Cb 0.29 0.49 -0.17 0.00 0.37 0.00 0.00 40.66 41.64 2dll h LEU 13 CO -0.66 -0.57 0.33 0.40 -0.34 0.00 0.00 178.44 177.60 2dll h ILE 14 N -0.82 0.12 -0.88 4.05 2.04 -0.97 1.15 117.51 122.20 2dll h ILE 14 Ca -0.03 -0.04 0.02 0.00 1.00 0.00 0.00 64.86 65.81 2dll h ILE 14 Cb 0.76 0.01 -0.05 0.00 -0.74 0.00 0.00 36.82 36.81 2dll h ILE 14 CO -0.17 0.02 0.58 -0.78 0.00 0.00 0.00 178.15 177.80 2dll h ASP 15 N 0.10 0.98 -0.30 1.72 1.82 -0.00 0.12 116.42 120.85 2dll h ASP 15 Ca 0.70 -0.02 -0.10 0.00 -0.39 0.00 0.00 57.03 57.22 2dll h ASP 15 Cb 1.62 -0.24 -0.01 0.00 0.68 0.00 0.00 39.33 41.39 2dll h ASP 15 CO -0.76 0.69 -0.19 1.56 -1.61 0.00 0.00 179.24 178.93 2dll h GLN 16 N 1.15 0.66 0.12 0.28 1.08 0.17 -2.37 115.11 116.20 2dll h GLN 16 Ca 0.33 -0.31 -0.01 0.00 -1.45 0.00 0.00 58.65 57.22 2dll h GLN 16 Cb -0.07 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.36 2dll h GLN 16 CO -0.09 0.90 -0.06 0.82 -0.95 0.00 0.00 178.83 179.46 2dll h ILE 17 N 0.41 1.03 -0.53 2.54 2.04 -0.82 -1.99 117.51 120.20 2dll h ILE 17 Ca 0.06 -0.64 0.10 0.00 1.00 0.00 0.00 64.86 65.38 2dll h ILE 17 Cb 0.73 1.44 -0.08 0.00 -0.74 0.00 0.00 36.82 38.16 2dll h ILE 17 CO 0.05 0.15 0.08 -0.78 0.00 0.00 0.00 178.15 177.66 2dll h ASP 18 N -0.46 -0.06 -0.32 1.72 1.82 -0.84 -0.16 116.42 118.12 2dll h ASP 18 Ca -0.02 0.10 -0.03 0.00 -0.39 0.00 0.00 57.03 56.70 2dll h ASP 18 Cb 0.37 0.16 -0.02 0.00 0.68 0.00 0.00 39.33 40.52 2dll h ASP 18 CO 0.03 -0.01 0.12 0.77 -1.61 0.00 0.00 179.24 178.54 2dll h SER 19 N 0.21 0.51 -2.02 2.28 4.64 -1.39 -3.46 113.55 114.31 2dll h SER 19 Ca 0.27 -0.06 -0.34 0.00 -0.47 0.00 0.00 61.79 61.19 2dll h SER 19 Cb 0.39 -0.13 -0.05 0.00 -0.31 0.00 0.00 62.40 62.31 2dll h SER 19 CO -0.38 0.50 -0.41 0.61 -0.87 0.00 0.00 176.83 176.29 2dll n GLY 20 N -1.10 0.16 0.22 -0.77 0.00 -0.07 -4.89 105.19 98.72 2dll n GLY 20 Ca 0.02 -0.18 -0.13 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 0.67 -6.38 1.61 1.57 -1.85 -3.44 116.57 108.74 2dll h LYS 21 Ca -0.39 -0.48 -0.55 0.00 -1.87 0.00 0.00 60.65 57.36 2dll h LYS 21 Cb 1.25 0.08 -0.04 0.00 0.08 0.00 0.00 32.23 33.60 2dll h LYS 21 CO 0.48 1.10 0.03 0.71 -0.57 0.00 0.00 179.45 181.21 2dll s TYR 22 N -3.87 3.76 0.48 -1.35 1.51 -1.26 -5.05 117.35 111.56 2dll s TYR 22 Ca -0.09 1.34 -0.22 0.00 -1.01 0.00 0.00 57.07 57.09 2dll s TYR 22 Cb 0.10 -2.56 -0.07 0.00 -0.11 0.00 0.00 41.96 39.32 2dll s TYR 22 CO 0.87 0.49 1.16 -1.25 -1.11 0.00 0.00 175.55 175.71 2dll s PRO 23 N -1.45 3.67 0.00 -1.71 0.04 -1.26 -3.35 135.00 130.94 2dll s PRO 23 Ca 0.35 1.74 0.00 0.00 0.04 0.00 0.00 61.00 63.13 2dll s PRO 23 Cb -0.19 -2.32 0.00 0.00 0.04 0.00 0.00 34.50 32.03 2dll s PRO 23 CO 0.21 -0.62 0.00 0.41 0.04 0.00 0.00 177.00 177.04 2dll n GLY 24 N 0.38 1.61 3.59 0.56 0.00 -1.26 -4.69 105.19 105.39 2dll n GLY 24 Ca 0.08 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 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 3.48 -0.04 0.99 2.96 -1.21 -4.49 118.68 120.37 2dll s LEU 25 Ca 0.00 1.02 -0.25 0.00 -0.22 0.00 0.00 54.13 54.68 2dll s LEU 25 Cb 0.00 -3.34 0.05 0.00 0.50 0.00 0.00 46.19 43.41 2dll s LEU 25 CO 0.00 -1.77 0.55 0.68 -1.32 0.00 0.00 176.35 174.49 2dll s VAL 26 N 6.96 0.02 -0.17 1.68 -7.23 -1.18 -4.73 120.40 115.74 2dll s VAL 26 Ca 0.73 -0.16 -0.29 0.00 -1.81 0.00 0.00 61.98 60.45 2dll s VAL 26 Cb -0.19 -0.87 -0.01 0.00 0.56 0.00 0.00 36.38 35.88 2dll s VAL 26 CO 0.31 -0.09 1.13 0.26 -0.31 0.00 0.00 175.10 176.41 2dll s TRP 27 N -1.20 3.17 0.45 2.82 0.52 -1.26 -1.09 118.94 122.35 2dll s TRP 27 Ca -0.12 1.29 0.24 0.00 0.02 0.00 0.00 56.10 57.54 2dll s TRP 27 Cb -0.02 -3.36 1.38 0.00 -1.15 0.00 0.00 33.47 30.32 2dll s TRP 27 CO 0.08 -0.98 2.08 0.93 0.02 0.00 0.00 176.95 179.08 2dll h GLU 28 N 7.68 0.00 -5.49 4.98 5.08 -0.68 -3.44 114.58 122.71 2dll h GLU 28 Ca -0.25 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.58 2dll h GLU 28 Cb 1.10 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.21 2dll h GLU 28 CO 0.95 0.12 -0.63 0.54 -1.00 0.00 0.00 179.01 178.99 2dll s ASN 29 N -6.38 3.02 0.16 1.42 2.20 -1.23 -5.05 114.94 109.08 2dll s ASN 29 Ca -0.03 -1.31 0.08 0.00 -0.94 0.00 0.00 52.86 50.66 2dll s ASN 29 Cb 0.14 -0.22 -0.07 0.00 -2.00 0.00 0.00 41.25 39.10 2dll s ASN 29 CO 0.61 -0.45 1.36 -0.33 -2.94 0.00 0.00 177.10 175.35 2dll h GLU 30 N 2.06 0.00 0.00 3.55 5.08 -1.93 -3.15 114.58 120.19 2dll h GLU 30 Ca -0.42 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 2dll h GLU 30 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 2dll h GLU 30 CO 0.72 0.91 0.09 -0.85 -1.00 0.00 0.00 179.01 178.88 2dll n GLU 31 N -3.46 0.09 -2.91 2.33 0.28 -1.26 -4.80 120.64 110.91 2dll n GLU 31 Ca -0.00 0.57 -0.19 0.00 -0.16 0.00 0.00 57.16 57.37 2dll n GLU 31 Cb 0.86 -1.89 0.03 0.00 1.43 0.00 0.00 31.44 31.87 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 -2.00 -4.23 -0.08 3.44 4.76 -1.19 -4.90 118.16 113.96 2dll n LYS 32 Ca -0.01 0.78 -0.11 0.00 -2.87 0.00 0.00 58.31 56.10 2dll n LYS 32 Cb 0.11 -5.37 -0.09 0.00 -1.84 0.00 0.00 35.03 27.84 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 -1.90 2.33 -4.55 4.39 7.64 -1.26 -4.99 113.62 115.28 2dll n SER 33 Ca -0.10 -0.07 -0.33 0.00 1.01 0.00 0.00 58.87 59.38 2dll n SER 33 Cb 0.60 0.01 -0.12 0.00 -1.01 0.00 0.00 64.21 63.70 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 -2.35 3.51 0.18 0.44 1.01 -1.26 -2.81 121.20 119.91 2dll s ILE 34 Ca -0.20 -0.59 -0.07 0.00 0.00 0.00 0.00 60.65 59.80 2dll s ILE 34 Cb 0.06 -2.43 -0.02 0.00 0.01 0.00 0.00 42.46 40.08 2dll s ILE 34 CO 0.46 0.57 0.24 0.72 0.00 0.00 0.00 174.94 176.92 2dll s PHE 35 N -0.81 0.61 -0.06 3.97 -0.71 -1.18 0.07 117.98 119.85 2dll s PHE 35 Ca 0.13 -0.95 0.05 0.00 -1.04 0.00 0.00 56.93 55.12 2dll s PHE 35 Cb -0.11 -0.19 -0.01 0.00 -1.21 0.00 0.00 43.02 41.51 2dll s PHE 35 CO 0.02 -0.71 -0.23 -0.98 -1.34 0.00 0.00 175.22 171.98 2dll s ARG 36 N -4.02 2.46 -0.07 1.99 1.70 -0.25 -2.35 118.95 118.41 2dll s ARG 36 Ca 0.23 -0.83 0.03 0.00 -0.47 0.00 0.00 55.73 54.69 2dll s ARG 36 Cb 0.04 -2.04 -0.02 0.00 -0.57 0.00 0.00 34.95 32.36 2dll s ARG 36 CO 0.04 0.30 -0.16 -1.50 -1.08 0.00 0.00 175.30 172.90 2dll s ILE 37 N -0.00 2.85 -0.27 4.99 2.07 -0.17 -3.12 121.20 127.56 2dll s ILE 37 Ca -0.07 -0.78 -0.29 0.00 -1.41 0.00 0.00 60.65 58.11 2dll s ILE 37 Cb -0.14 -2.13 -0.02 0.00 0.13 0.00 0.00 42.46 40.30 2dll s ILE 37 CO 0.04 0.57 1.64 -2.16 -1.91 0.00 0.00 174.94 173.12 2dll s PRO 38 N -0.30 3.66 -0.11 3.50 0.04 -1.26 0.36 135.00 140.88 2dll s PRO 38 Ca 0.02 1.53 0.12 0.00 0.04 0.00 0.00 61.00 62.71 2dll s PRO 38 Cb -0.13 -4.07 0.55 0.00 0.04 0.00 0.00 34.50 30.88 2dll s PRO 38 CO 0.03 -1.46 1.39 1.87 0.04 0.00 0.00 177.00 178.86 2dll n TRP 39 N 8.95 1.23 -1.54 0.56 -0.00 -0.90 -4.92 117.44 120.81 2dll n TRP 39 Ca 0.20 -0.46 -0.44 0.00 -0.00 0.00 0.00 57.50 56.79 2dll n TRP 39 Cb 0.46 -0.27 -0.05 0.00 -0.00 0.00 0.00 31.31 31.46 2dll n TRP 39 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 177.69 178.86 2dll n LYS 40 N 0.65 1.50 -0.05 5.87 4.81 -1.25 -4.85 118.16 124.83 2dll n LYS 40 Ca 0.19 0.36 -0.01 0.00 -0.87 0.00 0.00 58.31 57.99 2dll n LYS 40 Cb 0.77 -2.98 -0.00 0.00 0.02 0.00 0.00 35.03 32.83 2dll n LYS 40 CO 0.00 0.00 0.00 1.12 1.17 0.00 0.00 177.40 179.69 2dll h HIS 41 N 14.85 0.00 -0.99 5.64 2.07 -1.96 -3.47 115.15 131.28 2dll h HIS 41 Ca -0.33 0.00 0.04 0.00 -2.85 0.00 0.00 60.37 57.23 2dll h HIS 41 Cb 1.27 0.00 -0.21 0.00 2.57 0.00 0.00 27.41 31.04 2dll h HIS 41 CO 0.95 0.00 -0.35 0.00 -3.07 0.00 0.00 177.93 175.46 2dll s ALA 42 N -2.58 -2.39 0.30 6.11 0.00 -1.26 -5.05 121.76 116.89 2dll s ALA 42 Ca -0.02 1.22 0.00 0.00 0.00 0.00 0.00 51.96 53.16 2dll s ALA 42 Cb 0.00 -2.47 0.00 0.00 0.00 0.00 0.00 23.12 20.65 2dll s ALA 42 CO 0.03 -1.73 0.00 0.41 0.00 0.00 0.00 175.76 174.47 2dll n GLY 43 N 5.42 -0.34 3.44 0.00 0.00 -1.26 -5.12 105.19 107.33 2dll n GLY 43 Ca 0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.00 -1.42 -0.01 1.61 -0.14 -1.26 -5.06 119.74 111.46 2dll s LYS 44 Ca 0.00 0.74 -0.03 0.00 -1.36 0.00 0.00 55.97 55.33 2dll s LYS 44 Cb 0.00 -1.50 -0.00 0.00 -1.68 0.00 0.00 37.83 34.65 2dll s LYS 44 CO 0.00 -4.03 0.05 -0.65 -0.76 0.00 0.00 175.35 169.96 2dll s GLN 45 N -4.48 0.22 -1.21 1.68 1.11 -1.26 -4.84 119.66 110.88 2dll s GLN 45 Ca 0.69 -0.22 -0.03 0.00 0.01 0.00 0.00 55.36 55.81 2dll s GLN 45 Cb -0.24 0.09 0.02 0.00 -1.01 0.00 0.00 33.01 31.87 2dll s GLN 45 CO 0.65 -0.04 0.19 -3.47 0.01 0.00 0.00 175.29 172.63 2dll n ASP 46 N 2.30 -4.22 -4.92 5.90 -0.08 -1.26 -4.95 116.55 109.32 2dll n ASP 46 Ca -0.18 -0.02 -0.21 0.00 -1.51 0.00 0.00 54.79 52.88 2dll n ASP 46 Cb 0.57 -3.54 -0.01 0.00 2.34 0.00 0.00 41.12 40.49 2dll n ASP 46 CO 0.00 0.00 0.00 -0.72 0.12 0.00 0.00 177.20 176.60 2dll s TYR 47 N -2.78 2.47 -0.59 -0.67 1.13 -1.26 -5.04 117.35 110.60 2dll s TYR 47 Ca 0.14 -0.54 -0.27 0.00 -1.41 0.00 0.00 57.07 54.99 2dll s TYR 47 Cb -0.07 -2.19 -0.00 0.00 -1.10 0.00 0.00 41.96 38.60 2dll s TYR 47 CO 0.17 -0.33 1.64 0.54 -2.51 0.00 0.00 175.55 175.05 2dll s ASN 48 N -4.25 5.71 -0.06 -0.18 4.22 -1.26 -4.83 114.94 114.30 2dll s ASN 48 Ca 0.49 0.30 -0.14 0.00 -2.14 0.00 0.00 52.86 51.37 2dll s ASN 48 Cb -0.05 -2.54 -0.30 0.00 1.28 0.00 0.00 41.25 39.64 2dll s ASN 48 CO 0.29 -2.04 0.67 -0.09 -2.04 0.00 0.00 177.10 173.90 2dll h ARG 49 N 12.88 0.35 -0.84 3.55 2.43 -2.00 -3.35 114.38 127.40 2dll h ARG 49 Ca -0.27 -0.60 0.16 0.00 -0.81 0.00 0.00 59.98 58.45 2dll h ARG 49 Cb 1.13 0.22 -0.15 0.00 -0.42 0.00 0.00 29.97 30.75 2dll h ARG 49 CO 1.20 1.29 -0.27 0.93 -1.51 0.00 0.00 179.97 181.61 2dll h GLU 50 N -0.06 -0.03 0.12 0.20 3.07 -1.98 0.36 114.58 116.25 2dll h GLU 50 Ca -0.31 0.00 0.02 0.00 -0.50 0.00 0.00 59.36 58.57 2dll h GLU 50 Cb 1.96 0.01 -0.04 0.00 -0.84 0.00 0.00 28.75 29.84 2dll h GLU 50 CO 0.15 -0.02 -0.31 1.49 -1.40 0.00 0.00 179.01 178.92 2dll h GLU 51 N -0.03 -0.51 0.00 2.33 4.57 -1.99 0.92 114.58 119.88 2dll h GLU 51 Ca 0.37 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.58 2dll h GLU 51 Cb 0.61 0.12 0.00 0.00 -0.16 0.00 0.00 28.75 29.31 2dll h GLU 51 CO -0.87 -0.34 0.15 0.22 -1.18 0.00 0.00 179.01 176.99 2dll h ASP 52 N -0.53 0.00 0.15 1.04 3.58 -1.14 0.17 116.42 119.68 2dll h ASP 52 Ca 0.03 0.00 -0.32 0.00 0.42 0.00 0.00 57.03 57.16 2dll h ASP 52 Cb 0.56 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.55 2dll h ASP 52 CO -0.18 0.00 -2.16 0.00 -2.88 0.00 0.00 179.24 174.01 2dll n ALA 53 N -1.91 1.61 -0.31 -0.78 0.00 0.16 -4.38 120.51 114.90 2dll n ALA 53 Ca -0.02 -1.12 0.24 0.00 0.00 0.00 0.00 53.44 52.54 2dll n ALA 53 Cb 0.20 -0.41 0.45 0.00 0.00 0.00 0.00 19.45 19.69 2dll n ALA 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dll n ALA 54 N -2.66 0.78 0.18 0.00 0.00 0.30 0.48 120.51 119.58 2dll n ALA 54 Ca -0.26 0.97 -0.08 0.00 0.00 0.00 0.00 53.44 54.07 2dll n ALA 54 Cb 1.08 -0.87 -0.04 0.00 0.00 0.00 0.00 19.45 19.62 2dll n ALA 54 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2dll h LEU 55 N 0.00 -0.44 0.07 0.00 5.85 -1.77 -1.87 115.31 117.16 2dll h LEU 55 Ca 0.71 0.02 0.02 0.00 0.84 0.00 0.00 57.88 59.46 2dll h LEU 55 Cb 1.75 0.11 -0.05 0.00 0.37 0.00 0.00 40.66 42.84 2dll h LEU 55 CO -0.78 -0.04 -0.50 -0.26 -0.34 0.00 0.00 178.44 176.52 2dll h PHE 56 N -1.07 -1.46 0.14 1.25 0.04 -1.22 -2.35 116.94 112.27 2dll h PHE 56 Ca -0.05 0.04 0.02 0.00 2.80 0.00 0.00 57.97 60.77 2dll h PHE 56 Cb 0.40 0.63 -0.05 0.00 2.20 0.00 0.00 35.95 39.13 2dll h PHE 56 CO 0.01 -0.57 -0.47 0.87 -0.60 0.00 0.00 178.31 177.54 2dll h LYS 57 N -0.70 -0.69 -0.91 1.51 1.57 -0.12 -1.64 116.57 115.59 2dll h LYS 57 Ca 0.01 0.05 0.31 0.00 -1.87 0.00 0.00 60.65 59.15 2dll h LYS 57 Cb 0.73 0.16 -0.17 0.00 0.08 0.00 0.00 32.23 33.03 2dll h LYS 57 CO -0.31 -0.46 0.25 0.00 -0.57 0.00 0.00 179.45 178.36 2dll n ALA 58 N -2.88 0.69 0.18 3.86 0.00 -0.70 0.27 120.51 121.93 2dll n ALA 58 Ca -0.08 0.95 -0.14 0.00 0.00 0.00 0.00 53.44 54.16 2dll n ALA 58 Cb 0.40 -0.81 -0.07 0.00 0.00 0.00 0.00 19.45 18.97 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 -0.88 0.76 0.00 -0.00 -0.76 0.80 115.95 115.87 2dll h TRP 59 Ca 0.66 0.01 -0.04 0.00 -0.00 0.00 0.00 58.89 59.52 2dll h TRP 59 Cb 1.58 0.35 0.00 0.00 -0.00 0.00 0.00 29.16 31.09 2dll h TRP 59 CO -0.24 -0.45 -0.42 0.00 -0.00 0.00 0.00 178.44 177.33 2dll h ALA 60 N -0.07 -1.26 -1.10 2.65 0.00 -0.11 0.90 119.26 120.27 2dll h ALA 60 Ca -0.00 -0.23 0.31 0.00 0.00 0.00 0.00 54.91 54.99 2dll h ALA 60 Cb 0.60 0.50 -0.11 0.00 0.00 0.00 0.00 17.79 18.78 2dll h ALA 60 CO -0.10 -1.20 0.70 -0.07 0.00 0.00 0.00 179.25 178.57 2dll h LEU 61 N -1.08 0.42 0.35 0.00 3.38 -1.22 0.11 115.31 117.26 2dll h LEU 61 Ca -0.10 0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 2dll h LEU 61 Cb 0.85 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.66 2dll h LEU 61 CO 0.14 -0.00 -0.17 0.15 0.09 0.00 0.00 178.44 178.64 2dll h PHE 62 N 0.32 -0.44 -0.05 1.13 3.04 -0.45 -3.34 116.94 117.15 2dll h PHE 62 Ca 0.67 -0.01 0.03 0.00 3.98 0.00 0.00 57.97 62.64 2dll h PHE 62 Cb 1.77 0.14 -0.06 0.00 2.56 0.00 0.00 35.95 40.37 2dll h PHE 62 CO -0.00 -0.13 -0.51 0.87 -2.02 0.00 0.00 178.31 176.51 2dll h LYS 63 N -1.01 -0.60 0.00 1.11 1.79 0.42 -3.46 116.57 114.83 2dll h LYS 63 Ca -0.05 0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 2dll h LYS 63 Cb 0.50 0.14 0.00 0.00 -1.58 0.00 0.00 32.23 31.28 2dll h LYS 63 CO 0.08 -0.40 0.00 0.41 -1.08 0.00 0.00 179.45 178.46 2dll n GLY 64 N -1.45 5.27 2.81 3.86 0.00 -0.10 -5.10 105.19 110.49 2dll n GLY 64 Ca -0.06 -1.49 -0.29 0.00 0.00 0.00 0.00 46.02 44.17 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 4.02 1.02 -0.10 1.61 3.01 -1.26 -4.53 119.74 123.51 2dll s LYS 65 Ca 0.00 -0.91 0.03 0.00 -1.01 0.00 0.00 55.97 54.08 2dll s LYS 65 Cb 0.00 -2.29 -0.01 0.00 -1.01 0.00 0.00 37.83 34.53 2dll s LYS 65 CO 0.00 -0.77 -0.19 0.12 0.51 0.00 0.00 175.35 175.02 2dll s PHE 66 N 1.57 2.66 -0.56 3.18 2.19 -1.26 -5.05 117.98 120.71 2dll s PHE 66 Ca 0.02 -0.79 -0.21 0.00 0.33 0.00 0.00 56.93 56.28 2dll s PHE 66 Cb -0.18 -1.75 0.06 0.00 -1.31 0.00 0.00 43.02 39.84 2dll s PHE 66 CO -0.13 -0.27 0.80 1.03 1.83 0.00 0.00 175.22 178.48 2dll s ARG 67 N 0.22 3.19 0.27 10.12 1.81 -1.26 -4.90 118.95 128.40 2dll s ARG 67 Ca -0.12 -0.70 0.06 0.00 -1.72 0.00 0.00 55.73 53.25 2dll s ARG 67 Cb -0.16 -4.12 0.38 0.00 -0.45 0.00 0.00 34.95 30.60 2dll s ARG 67 CO 0.06 -1.45 1.65 1.05 -0.68 0.00 0.00 175.30 175.94 2dll h GLU 68 N 9.22 0.24 0.17 3.54 9.09 -1.98 0.43 114.58 135.29 2dll h GLU 68 Ca -0.27 -0.13 -0.31 0.00 0.05 0.00 0.00 59.36 58.69 2dll h GLU 68 Cb 1.08 0.01 0.01 0.00 -1.65 0.00 0.00 28.75 28.20 2dll h GLU 68 CO 1.06 0.67 -1.49 0.78 0.05 0.00 0.00 179.01 180.08 2dll h GLY 69 N 1.31 0.40 0.00 1.06 0.00 -2.00 -3.41 103.07 100.43 2dll h GLY 69 Ca 0.01 -1.03 -0.02 0.00 0.00 0.00 0.00 47.33 46.29 2dll h GLY 69 CO 0.07 0.90 -0.36 -2.22 0.00 0.00 0.00 176.54 174.94 2dll h ILE 70 N 0.10 0.15 -3.39 2.60 2.04 -1.96 -3.46 117.51 113.59 2dll h ILE 70 Ca -0.24 -1.15 -0.55 0.00 1.00 0.00 0.00 64.86 63.92 2dll h ILE 70 Cb 2.06 0.32 -0.04 0.00 -0.74 0.00 0.00 36.82 38.42 2dll h ILE 70 CO 0.20 0.05 0.25 -1.81 0.00 0.00 0.00 178.15 176.84 2dll s ASP 71 N -5.77 7.19 0.03 1.72 1.11 0.15 -4.99 116.67 116.11 2dll s ASP 71 Ca -0.11 1.44 -0.31 0.00 0.18 0.00 0.00 52.55 53.75 2dll s ASP 71 Cb 0.01 -2.50 -0.10 0.00 1.07 0.00 0.00 42.92 41.41 2dll s ASP 71 CO 0.19 -0.20 1.95 1.17 1.18 0.00 0.00 175.17 179.46 2dll n LYS 72 N 3.89 2.78 -2.24 8.23 3.00 -1.26 -4.23 118.16 128.33 2dll n LYS 72 Ca 0.03 1.02 -0.41 0.00 -0.00 0.00 0.00 58.31 58.95 2dll n LYS 72 Cb 0.51 -2.96 -0.03 0.00 0.00 0.00 0.00 35.03 32.55 2dll n LYS 72 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 2dll s PRO 73 N 4.20 4.43 -0.28 1.64 0.04 -1.26 -5.03 135.00 138.74 2dll s PRO 73 Ca 0.89 2.05 -0.03 0.00 0.04 0.00 0.00 61.00 63.95 2dll s PRO 73 Cb -0.47 -3.16 0.09 0.00 0.04 0.00 0.00 34.50 31.00 2dll s PRO 73 CO 0.43 -0.15 0.10 -0.51 0.04 0.00 0.00 177.00 176.90 2dll s ASP 74 N -0.07 3.59 0.28 6.66 1.01 -1.26 -5.02 116.67 121.86 2dll s ASP 74 Ca 0.53 -1.33 0.02 0.00 0.71 0.00 0.00 52.55 52.48 2dll s ASP 74 Cb -0.36 -0.60 0.67 0.00 1.01 0.00 0.00 42.92 43.64 2dll s ASP 74 CO 0.42 -0.40 1.69 -0.65 0.21 0.00 0.00 175.17 176.44 2dll h PRO 75 N 8.25 0.35 -0.90 8.23 0.11 -2.00 0.61 132.00 146.65 2dll h PRO 75 Ca -0.16 -0.02 0.26 0.00 0.11 0.00 0.00 66.00 66.19 2dll h PRO 75 Cb 1.04 -0.08 -0.04 0.00 0.11 0.00 0.00 31.00 32.03 2dll h PRO 75 CO 0.43 0.23 0.80 -1.35 -0.21 0.00 0.00 178.00 177.90 2dll h PRO 76 N 0.36 0.00 0.07 1.05 0.11 -1.99 0.13 132.00 131.73 2dll h PRO 76 Ca 0.53 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 66.51 2dll h PRO 76 Cb 0.99 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.11 2dll h PRO 76 CO -0.54 0.00 -0.61 1.15 -0.21 0.00 0.00 178.00 177.79 2dll h THR 77 N 0.00 1.51 0.09 -1.15 2.02 -1.30 -2.96 112.91 111.12 2dll h THR 77 Ca 0.43 -2.41 -0.00 0.00 0.77 0.00 0.00 66.41 65.19 2dll h THR 77 Cb 2.03 3.13 0.00 0.00 -1.74 0.00 0.00 68.15 71.56 2dll h THR 77 CO -0.00 0.64 -0.04 -0.50 0.37 0.00 0.00 175.52 175.98 2dll h TRP 78 N -0.67 -0.11 0.12 3.16 6.55 -0.96 0.73 115.95 124.77 2dll h TRP 78 Ca -0.13 -0.00 0.01 0.00 0.95 0.00 0.00 58.89 59.73 2dll h TRP 78 Cb 1.37 0.04 -0.03 0.00 -0.86 0.00 0.00 29.16 29.68 2dll h TRP 78 CO 0.21 0.09 -0.23 0.87 -1.05 0.00 0.00 178.44 178.33 2dll h LYS 79 N -0.30 -0.41 -0.85 0.49 1.57 -1.02 -0.47 116.57 115.57 2dll h LYS 79 Ca -0.01 0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.80 2dll h LYS 79 Cb 0.25 0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.62 2dll h LYS 79 CO 0.02 -0.27 0.57 1.15 -0.57 0.00 0.00 179.45 180.34 2dll h THR 80 N -0.43 1.22 0.82 -0.16 2.02 -1.51 -0.55 112.91 114.32 2dll h THR 80 Ca 0.03 -0.40 -0.04 0.00 0.77 0.00 0.00 66.41 66.77 2dll h THR 80 Cb 0.44 -0.04 0.01 0.00 -1.74 0.00 0.00 68.15 66.82 2dll h THR 80 CO -0.12 0.21 -0.39 0.03 0.37 0.00 0.00 175.52 175.62 2dll h ARG 81 N 1.16 -1.06 0.51 6.66 2.47 -0.29 -2.08 114.38 121.74 2dll h ARG 81 Ca 0.31 0.07 -0.02 0.00 -1.26 0.00 0.00 59.98 59.09 2dll h ARG 81 Cb -0.13 0.24 -0.01 0.00 -1.65 0.00 0.00 29.97 28.42 2dll h ARG 81 CO -0.07 -0.71 -0.38 1.25 0.56 0.00 0.00 179.97 180.62 2dll h LEU 82 N -1.14 -1.01 -0.97 3.04 5.85 -1.02 -2.36 115.31 117.70 2dll h LEU 82 Ca -0.11 0.07 0.37 0.00 0.84 0.00 0.00 57.88 59.05 2dll h LEU 82 Cb 0.84 0.32 -0.18 0.00 0.37 0.00 0.00 40.66 42.01 2dll h LEU 82 CO 0.18 -0.55 0.39 -2.11 -0.34 0.00 0.00 178.44 176.02 2dll n ARG 83 N -4.78 -0.06 0.19 1.25 1.85 -0.22 0.38 116.66 115.27 2dll n ARG 83 Ca -0.10 1.36 -0.15 0.00 -1.00 0.00 0.00 57.85 57.96 2dll n ARG 83 Cb 0.37 -2.37 -0.08 0.00 -1.05 0.00 0.00 32.46 29.33 2dll n ARG 83 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2dll h ALA 85 N 0.10 1.37 -0.94 0.00 0.00 0.41 0.19 119.26 120.39 2dll h ALA 85 Ca -0.05 -0.07 0.08 0.00 0.00 0.00 0.00 54.91 54.88 2dll h ALA 85 Cb 0.40 -0.35 -0.07 0.00 0.00 0.00 0.00 17.79 17.77 2dll h ALA 85 CO 0.08 0.58 0.59 1.25 0.00 0.00 0.00 179.25 181.74 2dll h LEU 86 N 1.17 0.90 0.06 0.00 5.85 -0.58 0.52 115.31 123.22 2dll h LEU 86 Ca 0.31 0.03 -0.12 0.00 0.84 0.00 0.00 57.88 58.94 2dll h LEU 86 Cb -0.12 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 40.76 2dll h LEU 86 CO -0.07 0.54 -0.58 -1.13 -0.34 0.00 0.00 178.44 176.87 2dll h ASN 87 N 1.02 0.21 -0.83 1.25 -0.73 -0.99 -3.34 115.58 112.16 2dll h ASN 87 Ca 0.43 -0.92 0.15 0.00 1.87 0.00 0.00 56.30 57.83 2dll h ASN 87 Cb 0.28 -0.07 -0.10 0.00 0.27 0.00 0.00 38.32 38.71 2dll h ASN 87 CO -0.21 1.26 0.41 0.11 -0.37 0.00 0.00 177.43 178.63 2dll h LYS 88 N -0.70 0.55 -5.67 6.67 1.79 -0.45 -3.40 116.57 115.37 2dll h LYS 88 Ca -0.12 -0.03 -0.57 0.00 -2.18 0.00 0.00 60.65 57.75 2dll h LYS 88 Cb 1.35 -0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 31.85 2dll h LYS 88 CO 0.04 0.36 1.56 -1.13 -1.08 0.00 0.00 179.45 179.20 2dll n SER 89 N -4.91 1.89 0.24 0.86 3.41 0.15 -4.78 113.62 110.48 2dll n SER 89 Ca 0.17 0.06 0.09 0.00 -0.26 0.00 0.00 58.87 58.93 2dll n SER 89 Cb 0.45 -1.31 0.61 0.00 -0.26 0.00 0.00 64.21 63.70 2dll n SER 89 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 2dll h ASN 90 N 14.75 0.00 0.00 4.04 4.21 -1.90 -1.09 115.58 135.59 2dll h ASN 90 Ca -0.23 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.28 2dll h ASN 90 Cb 1.30 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.50 2dll h ASN 90 CO 1.13 0.15 0.00 -0.90 -1.29 0.00 0.00 177.43 176.52 2dll n ASP 91 N -4.06 0.14 -4.19 5.81 5.68 -1.26 -4.74 116.55 113.92 2dll n ASP 91 Ca -0.02 -1.93 -0.26 0.00 -0.50 0.00 0.00 54.79 52.08 2dll n ASP 91 Cb 0.23 -0.07 -0.15 0.00 -1.14 0.00 0.00 41.12 39.99 2dll n ASP 91 CO 0.00 0.00 0.00 -0.36 -1.33 0.00 0.00 177.20 175.51 2dll s PHE 92 N -1.86 1.67 -0.01 2.11 0.40 -0.41 0.38 117.98 120.25 2dll s PHE 92 Ca 0.00 -0.32 0.06 0.00 -0.60 0.00 0.00 56.93 56.07 2dll s PHE 92 Cb 0.00 -1.07 -0.03 0.00 0.51 0.00 0.00 43.02 42.43 2dll s PHE 92 CO 0.00 -0.02 -0.19 -2.00 0.70 0.00 0.00 175.22 173.70 2dll s GLU 93 N -0.47 2.23 -0.34 0.44 2.12 0.77 -4.85 118.70 118.60 2dll s GLU 93 Ca 0.07 -0.87 -0.15 0.00 0.36 0.00 0.00 54.97 54.38 2dll s GLU 93 Cb -0.07 -2.20 -0.01 0.00 0.26 0.00 0.00 34.13 32.10 2dll s GLU 93 CO -0.01 0.58 0.37 -2.00 -0.54 0.00 0.00 175.26 173.66 2dll s GLU 94 N -0.92 3.59 -0.52 4.30 2.12 -1.26 0.02 118.70 126.03 2dll s GLU 94 Ca 0.12 -0.38 -0.16 0.00 0.36 0.00 0.00 54.97 54.90 2dll s GLU 94 Cb -0.10 -3.80 0.10 0.00 0.26 0.00 0.00 34.13 30.59 2dll s GLU 94 CO 0.01 -0.52 0.50 -0.51 -0.54 0.00 0.00 175.26 174.21 2dll s LEU 95 N 2.04 5.83 -0.10 2.70 1.43 0.19 -4.90 118.68 125.88 2dll s LEU 95 Ca 0.12 -1.54 -0.14 0.00 -1.03 0.00 0.00 54.13 51.54 2dll s LEU 95 Cb -0.16 -2.23 -0.28 0.00 0.03 0.00 0.00 46.19 43.55 2dll s LEU 95 CO 0.12 -0.83 0.55 0.58 0.23 0.00 0.00 176.35 176.99 2dll h VAL 96 N 5.85 0.95 -1.26 -1.59 2.07 -1.94 -3.03 116.25 117.31 2dll h VAL 96 Ca -0.29 -2.41 0.40 0.00 0.82 0.00 0.00 66.70 65.22 2dll h VAL 96 Cb 1.10 2.68 -0.12 0.00 -1.52 0.00 0.00 31.29 33.43 2dll h VAL 96 CO 0.99 0.75 0.81 -0.33 0.02 0.00 0.00 177.57 179.82 2dll h GLU 97 N -0.19 0.14 0.00 1.57 5.08 -1.95 1.03 114.58 120.26 2dll h GLU 97 Ca -0.33 -0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 57.93 2dll h GLU 97 Cb 1.86 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 31.06 2dll h GLU 97 CO 0.08 0.10 -1.50 0.54 -1.00 0.00 0.00 179.01 177.23 2dll n ARG 98 N -4.67 0.63 -1.66 2.33 1.74 -1.26 -4.93 116.66 108.84 2dll n ARG 98 Ca 0.34 0.07 -0.46 0.00 -0.77 0.00 0.00 57.85 57.03 2dll n ARG 98 Cb 1.31 -1.72 -0.04 0.00 -1.02 0.00 0.00 32.46 30.99 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 -2.65 2.83 -3.94 0.55 7.64 0.35 -4.81 113.62 113.58 2dll n SER 99 Ca -0.07 1.10 -0.30 0.00 1.01 0.00 0.00 58.87 60.61 2dll n SER 99 Cb 0.70 -1.40 -0.16 0.00 -1.01 0.00 0.00 64.21 62.35 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 0.46 1.62 -0.00 1.43 -1.52 -0.87 -4.93 119.66 115.84 2dll s GLN 100 Ca 0.76 -1.04 0.05 0.00 -1.95 0.00 0.00 55.36 53.18 2dll s GLN 100 Cb -0.70 -2.61 -0.07 0.00 -0.22 0.00 0.00 33.01 29.42 2dll s GLN 100 CO 0.42 -0.62 0.18 1.28 -0.25 0.00 0.00 175.29 176.31 2dll n LEU 101 N 4.65 0.15 -0.80 2.90 4.77 -1.26 -0.72 117.00 126.68 2dll n LEU 101 Ca -0.11 -0.31 0.05 0.00 -0.03 0.00 0.00 56.01 55.60 2dll n LEU 101 Cb 0.44 0.00 0.16 0.00 -2.33 0.00 0.00 43.42 41.69 2dll n LEU 101 CO 0.18 0.04 0.59 -0.67 -1.33 0.00 0.00 177.39 176.20 2dll n ASP 102 N -1.34 2.28 -4.70 -1.43 2.03 -1.26 -4.61 116.55 107.52 2dll n ASP 102 Ca 0.00 -2.15 -0.25 0.00 0.52 0.00 0.00 54.79 52.91 2dll n ASP 102 Cb 0.10 -0.35 -0.07 0.00 -0.72 0.00 0.00 41.12 40.08 2dll n ASP 102 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 2dll s ILE 103 N -1.64 3.88 0.18 5.18 -4.36 -1.26 -5.01 121.20 118.16 2dll s ILE 103 Ca 0.23 -1.46 -0.09 0.00 -0.26 0.00 0.00 60.65 59.08 2dll s ILE 103 Cb 0.14 -3.00 0.24 0.00 1.25 0.00 0.00 42.46 41.10 2dll s ILE 103 CO 0.12 -0.19 1.07 -0.24 0.24 0.00 0.00 174.94 175.94 2dll n SER 104 N -0.43 -0.34 -4.12 4.36 2.88 -1.26 -3.11 113.62 111.60 2dll n SER 104 Ca -0.09 1.19 -0.35 0.00 -1.33 0.00 0.00 58.87 58.29 2dll n SER 104 Cb 0.56 -0.32 -0.12 0.00 -0.75 0.00 0.00 64.21 63.58 2dll n SER 104 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2dll s ASP 105 N -5.21 5.12 0.51 -3.46 2.15 -1.26 -5.09 116.67 109.43 2dll s ASP 105 Ca -0.10 -1.90 -0.21 0.00 0.43 0.00 0.00 52.55 50.77 2dll s ASP 105 Cb 0.16 -1.78 -0.06 0.00 -0.30 0.00 0.00 42.92 40.94 2dll s ASP 105 CO 0.51 -0.46 1.15 -2.16 -0.17 0.00 0.00 175.17 174.03 2dll s PRO 106 N 1.13 3.53 -0.08 4.34 0.04 -1.18 -4.87 135.00 137.90 2dll s PRO 106 Ca 0.06 1.68 -0.30 0.00 0.04 0.00 0.00 61.00 62.49 2dll s PRO 106 Cb -0.22 -2.18 0.10 0.00 0.04 0.00 0.00 34.50 32.25 2dll s PRO 106 CO -0.04 -0.72 0.84 1.52 0.04 0.00 0.00 177.00 178.64 2dll s TYR 107 N -1.67 -0.48 -0.12 0.56 -0.85 0.10 -2.13 117.35 112.77 2dll s TYR 107 Ca 0.69 0.72 -0.01 0.00 -0.52 0.00 0.00 57.07 57.95 2dll s TYR 107 Cb -0.26 0.46 -0.02 0.00 0.38 0.00 0.00 41.96 42.51 2dll s TYR 107 CO 0.30 -0.50 -0.08 0.15 -1.52 0.00 0.00 175.55 173.90 2dll s LYS 108 N -1.61 3.27 -0.12 -3.49 1.02 0.16 -2.04 119.74 116.92 2dll s LYS 108 Ca -0.04 -0.59 -0.11 0.00 0.02 0.00 0.00 55.97 55.25 2dll s LYS 108 Cb -0.00 -2.71 -0.05 0.00 -0.52 0.00 0.00 37.83 34.55 2dll s LYS 108 CO 0.02 0.37 0.24 0.08 -0.92 0.00 0.00 175.35 175.14 2dll s VAL 109 N -0.02 5.34 0.09 3.17 1.01 -1.23 -0.99 120.40 127.77 2dll s VAL 109 Ca -0.01 0.43 0.05 0.00 0.00 0.00 0.00 61.98 62.45 2dll s VAL 109 Cb -0.14 -3.54 -0.03 0.00 0.00 0.00 0.00 36.38 32.67 2dll s VAL 109 CO 0.03 0.51 -0.13 -0.31 0.00 0.00 0.00 175.10 175.21 2dll s TYR 110 N -0.37 1.22 -0.14 5.22 1.51 -0.99 0.55 117.35 124.36 2dll s TYR 110 Ca 0.16 -0.54 0.01 0.00 -1.01 0.00 0.00 57.07 55.68 2dll s TYR 110 Cb -0.13 -0.66 -0.01 0.00 -0.11 0.00 0.00 41.96 41.05 2dll s TYR 110 CO 0.05 0.07 -0.16 0.50 -1.11 0.00 0.00 175.55 174.90 2dll s ARG 111 N -2.33 3.24 -0.58 -0.62 3.52 0.10 -3.12 118.95 119.16 2dll s ARG 111 Ca 0.03 -0.75 -0.27 0.00 -0.13 0.00 0.00 55.73 54.61 2dll s ARG 111 Cb -0.06 -2.57 -0.00 0.00 -1.56 0.00 0.00 34.95 30.76 2dll s ARG 111 CO 0.02 0.11 1.63 0.42 -0.81 0.00 0.00 175.30 176.67 2dll s ILE 112 N 0.57 3.56 -0.06 4.11 1.01 -1.12 -0.16 121.20 129.11 2dll s ILE 112 Ca -0.10 0.42 -0.30 0.00 0.00 0.00 0.00 60.65 60.67 2dll s ILE 112 Cb -0.16 -4.21 -0.02 0.00 0.01 0.00 0.00 42.46 38.08 2dll s ILE 112 CO 0.04 -1.07 1.01 -0.69 0.00 0.00 0.00 174.94 174.22 2dll s VAL 113 N 7.37 4.78 1.02 2.92 1.01 0.16 -4.96 120.40 132.70 2dll s VAL 113 Ca 0.59 2.02 -0.17 0.00 0.00 0.00 0.00 61.98 64.42 2dll s VAL 113 Cb -0.12 -4.30 0.25 0.00 0.00 0.00 0.00 36.38 32.21 2dll s VAL 113 CO 0.23 0.07 0.90 -0.81 0.00 0.00 0.00 175.10 175.49 2dll n PRO 114 N 4.55 -2.78 -2.91 2.72 -0.04 -1.26 -4.51 135.00 130.76 2dll n PRO 114 Ca 0.08 -1.44 -0.24 0.00 -0.04 0.00 0.00 63.50 61.85 2dll n PRO 114 Cb 0.49 -1.35 0.01 0.00 -0.04 0.00 0.00 33.50 32.61 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 -5.05 3.20 -1.57 0.54 -1.05 -1.26 -4.29 118.70 109.23 2dll s GLU 115 Ca 0.59 -0.27 -0.15 0.00 -0.15 0.00 0.00 54.97 54.99 2dll s GLU 115 Cb -0.06 -2.50 0.10 0.00 -0.44 0.00 0.00 34.13 31.23 2dll s GLU 115 CO 0.45 -0.25 0.95 -1.13 0.95 0.00 0.00 175.26 176.23 2dll n SER 116 N -2.13 -4.49 -4.71 0.83 3.41 -1.26 -4.93 113.62 100.33 2dll n SER 116 Ca 0.01 -0.83 -0.30 0.00 -0.26 0.00 0.00 58.87 57.49 2dll n SER 116 Cb 0.57 -3.66 0.14 0.00 -0.26 0.00 0.00 64.21 61.00 2dll n SER 116 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2dll s GLY 117 N -3.32 1.61 0.00 5.00 0.00 -1.26 -4.88 107.32 104.47 2dll s GLY 117 Ca 0.67 -0.07 0.08 0.00 0.00 0.00 0.00 44.72 45.40 2dll s GLY 117 CO 0.85 0.43 0.91 -1.55 0.00 0.00 0.00 173.10 173.74 2dll n PRO 118 N -3.93 0.49 -1.88 2.90 -0.04 -1.26 -4.79 135.00 126.49 2dll n PRO 118 Ca 0.07 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.11 2dll n PRO 118 Cb 0.55 -1.25 -0.03 0.00 -0.04 0.00 0.00 33.50 32.74 2dll n PRO 118 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dll s SER 119 N -1.75 6.57 -0.11 3.54 0.15 -1.26 -4.91 113.70 115.93 2dll s SER 119 Ca 0.12 2.48 -0.28 0.00 0.70 0.00 0.00 55.95 58.97 2dll s SER 119 Cb 0.05 -2.55 -0.24 0.00 -1.71 0.00 0.00 66.02 61.57 2dll s SER 119 CO 0.09 -0.95 0.87 0.77 1.20 0.00 0.00 173.24 175.23 2dll h SER 120 N 9.22 -0.00 0.00 5.45 4.64 -2.04 -3.52 113.55 127.30 2dll h SER 120 Ca -0.43 -0.86 0.00 0.00 -0.47 0.00 0.00 61.79 60.02 2dll h SER 120 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 2dll h SER 120 CO 0.94 0.87 0.00 0.61 -0.87 0.00 0.00 176.83 178.38