#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dll s SER 2 N 0.00 2.11 0.43 1.61 1.04 -1.26 -5.17 113.70 112.47 2dll s SER 2 Ca 0.00 -1.61 -0.01 0.00 0.48 0.00 0.00 55.95 54.81 2dll s SER 2 Cb 0.00 0.42 -0.01 0.00 0.10 0.00 0.00 66.02 66.53 2dll s SER 2 CO 0.00 -0.91 0.66 -0.55 0.98 0.00 0.00 173.24 173.43 2dll s SER 3 N -3.47 6.00 0.00 7.02 0.15 -1.26 -5.04 113.70 117.10 2dll s SER 3 Ca 0.32 0.43 0.00 0.00 0.70 0.00 0.00 55.95 57.40 2dll s SER 3 Cb 0.04 -1.76 0.00 0.00 -1.71 0.00 0.00 66.02 62.59 2dll s SER 3 CO 0.17 -0.60 0.00 0.61 1.20 0.00 0.00 173.24 174.63 2dll n GLY 4 N -2.05 -0.69 3.15 9.45 0.00 -1.26 -5.15 105.19 108.64 2dll n GLY 4 Ca -0.00 0.19 -0.27 0.00 0.00 0.00 0.00 46.02 45.94 2dll n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dll s SER 5 N -4.00 2.29 0.28 1.61 0.01 -1.26 -5.02 113.70 107.62 2dll s SER 5 Ca 0.00 -0.38 0.04 0.00 1.31 0.00 0.00 55.95 56.92 2dll s SER 5 Cb 0.00 -0.70 0.76 0.00 0.21 0.00 0.00 66.02 66.29 2dll s SER 5 CO 0.00 0.15 1.38 -1.20 0.41 0.00 0.00 173.24 173.99 2dll n SER 6 N 3.20 -0.04 -3.29 2.44 7.64 -1.26 -3.79 113.62 118.52 2dll n SER 6 Ca -0.18 1.49 -0.08 0.00 1.01 0.00 0.00 58.87 61.11 2dll n SER 6 Cb 0.53 -0.57 -0.05 0.00 -1.01 0.00 0.00 64.21 63.11 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 -4.28 -0.63 0.11 0.23 0.00 -1.26 -5.02 107.32 96.47 2dll s GLY 7 Ca -0.11 -0.10 -0.21 0.00 0.00 0.00 0.00 44.72 44.31 2dll s GLY 7 CO 0.69 3.16 1.13 0.28 0.00 0.00 0.00 173.10 178.35 2dll n LYS 8 N 4.77 -0.29 -0.15 2.90 4.76 -1.25 0.20 118.16 129.10 2dll n LYS 8 Ca 0.07 1.11 -0.11 0.00 -2.87 0.00 0.00 58.31 56.51 2dll n LYS 8 Cb 0.50 -1.63 -0.01 0.00 -1.84 0.00 0.00 35.03 32.05 2dll n LYS 8 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 2dll h LEU 9 N 0.00 0.82 -0.50 -0.35 5.85 -1.96 -1.00 115.31 118.17 2dll h LEU 9 Ca 0.11 -0.35 0.05 0.00 0.84 0.00 0.00 57.88 58.52 2dll h LEU 9 Cb 0.27 -0.22 -0.07 0.00 0.37 0.00 0.00 40.66 41.01 2dll h LEU 9 CO -0.62 0.98 -0.38 -0.09 -0.34 0.00 0.00 178.44 177.99 2dll h ARG 10 N 0.64 -0.10 -0.01 1.25 2.43 -0.65 0.28 114.38 118.22 2dll h ARG 10 Ca 0.11 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.29 2dll h ARG 10 Cb 0.61 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.19 2dll h ARG 10 CO 0.04 -0.07 -0.01 0.37 -1.51 0.00 0.00 179.97 178.79 2dll h GLN 11 N -0.11 0.01 -0.76 0.20 5.75 -1.21 -2.92 115.11 116.08 2dll h GLN 11 Ca 0.08 -0.01 0.07 0.00 -0.15 0.00 0.00 58.65 58.65 2dll h GLN 11 Cb 0.32 0.00 -0.10 0.00 1.07 0.00 0.00 27.48 28.77 2dll h GLN 11 CO -0.52 0.52 -0.53 2.35 -2.65 0.00 0.00 178.83 177.99 2dll h TRP 12 N -0.49 -1.70 0.26 3.99 7.01 -0.74 0.52 115.95 124.81 2dll h TRP 12 Ca 0.00 0.11 0.01 0.00 2.11 0.00 0.00 58.89 61.11 2dll h TRP 12 Cb 0.52 0.84 -0.04 0.00 -2.10 0.00 0.00 29.16 28.38 2dll h TRP 12 CO 0.10 -0.37 -0.43 1.25 -2.79 0.00 0.00 178.44 176.20 2dll h LEU 13 N -0.11 -1.23 -0.95 0.65 5.85 -0.55 -1.95 115.31 117.02 2dll h LEU 13 Ca 0.12 0.12 0.29 0.00 0.84 0.00 0.00 57.88 59.25 2dll h LEU 13 Cb 0.43 0.44 -0.16 0.00 0.37 0.00 0.00 40.66 41.74 2dll h LEU 13 CO -0.77 -0.54 0.28 0.40 -0.34 0.00 0.00 178.44 177.47 2dll h ILE 14 N -0.76 0.17 -0.94 4.05 2.04 -1.08 0.85 117.51 121.83 2dll h ILE 14 Ca -0.01 -0.04 -0.00 0.00 1.00 0.00 0.00 64.86 65.80 2dll h ILE 14 Cb 0.73 0.03 -0.05 0.00 -0.74 0.00 0.00 36.82 36.80 2dll h ILE 14 CO -0.16 0.02 0.57 -0.78 0.00 0.00 0.00 178.15 177.80 2dll h ASP 15 N 0.13 1.13 -0.33 1.72 3.58 -0.18 -0.19 116.42 122.28 2dll h ASP 15 Ca 0.64 -0.07 -0.05 0.00 0.42 0.00 0.00 57.03 57.98 2dll h ASP 15 Cb 1.43 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 42.18 2dll h ASP 15 CO -0.75 0.86 0.02 1.56 -2.88 0.00 0.00 179.24 178.06 2dll h GLN 16 N 1.30 0.57 -0.58 0.28 1.08 0.11 -1.16 115.11 116.71 2dll h GLN 16 Ca 0.34 -0.17 -0.05 0.00 -1.45 0.00 0.00 58.65 57.32 2dll h GLN 16 Cb -0.06 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.29 2dll h GLN 16 CO -0.06 0.68 0.17 0.82 -0.95 0.00 0.00 178.83 179.48 2dll h ILE 17 N 0.38 1.24 0.32 2.54 2.04 -0.88 -2.54 117.51 120.62 2dll h ILE 17 Ca 0.10 -0.84 -0.02 0.00 1.00 0.00 0.00 64.86 65.10 2dll h ILE 17 Cb 0.41 0.69 0.00 0.00 -0.74 0.00 0.00 36.82 37.18 2dll h ILE 17 CO 0.01 0.31 -0.15 -0.78 0.00 0.00 0.00 178.15 177.54 2dll h ASP 18 N 0.82 -0.37 -0.83 1.72 3.58 -0.95 -2.71 116.42 117.68 2dll h ASP 18 Ca 0.18 -0.09 0.22 0.00 0.42 0.00 0.00 57.03 57.77 2dll h ASP 18 Cb 0.30 0.09 -0.04 0.00 1.72 0.00 0.00 39.33 41.40 2dll h ASP 18 CO -0.00 -0.14 0.58 0.77 -2.88 0.00 0.00 179.24 177.57 2dll h SER 19 N -0.59 0.14 -2.71 2.28 4.64 -1.18 -3.45 113.55 112.68 2dll h SER 19 Ca -0.04 0.01 -0.37 0.00 -0.47 0.00 0.00 61.79 60.92 2dll h SER 19 Cb 0.43 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.50 2dll h SER 19 CO 0.07 0.06 -0.48 0.61 -0.87 0.00 0.00 176.83 176.22 2dll n GLY 20 N -1.63 -0.39 0.20 -0.77 0.00 -0.96 -4.90 105.19 96.74 2dll n GLY 20 Ca 0.17 -0.10 -0.18 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.07 0.70 -6.17 1.61 1.57 -1.87 -3.44 116.57 108.89 2dll h LYS 21 Ca -0.44 -0.69 -0.58 0.00 -1.87 0.00 0.00 60.65 57.07 2dll h LYS 21 Cb 1.32 0.18 -0.05 0.00 0.08 0.00 0.00 32.23 33.77 2dll h LYS 21 CO 0.52 1.28 -0.07 0.71 -0.57 0.00 0.00 179.45 181.31 2dll s TYR 22 N -3.47 3.78 0.54 -1.35 1.51 -1.26 -5.06 117.35 112.04 2dll s TYR 22 Ca -0.09 1.20 -0.19 0.00 -1.01 0.00 0.00 57.07 56.97 2dll s TYR 22 Cb 0.08 -2.45 -0.06 0.00 -0.11 0.00 0.00 41.96 39.42 2dll s TYR 22 CO 0.91 0.59 1.13 -1.25 -1.11 0.00 0.00 175.55 175.82 2dll s PRO 23 N -1.06 3.36 0.00 -1.71 0.04 -1.26 -3.56 135.00 130.80 2dll s PRO 23 Ca 0.28 1.61 0.00 0.00 0.04 0.00 0.00 61.00 62.93 2dll s PRO 23 Cb -0.19 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.35 2dll s PRO 23 CO 0.18 -0.84 0.00 0.41 0.04 0.00 0.00 177.00 176.78 2dll n GLY 24 N 0.16 1.72 3.56 0.56 0.00 -1.26 -4.72 105.19 105.20 2dll n GLY 24 Ca 0.12 -0.20 -0.38 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.02 0.99 2.96 -1.23 -4.65 118.68 120.11 2dll s LEU 25 Ca 0.00 0.94 -0.07 0.00 -0.22 0.00 0.00 54.13 54.78 2dll s LEU 25 Cb 0.00 -2.71 0.01 0.00 0.50 0.00 0.00 46.19 43.99 2dll s LEU 25 CO 0.00 -2.52 0.15 0.68 -1.32 0.00 0.00 176.35 173.34 2dll s VAL 26 N 10.30 0.06 -0.34 1.68 -7.23 -1.22 -4.78 120.40 118.86 2dll s VAL 26 Ca 0.86 -0.47 -0.29 0.00 -1.81 0.00 0.00 61.98 60.27 2dll s VAL 26 Cb -0.18 -0.37 0.01 0.00 0.56 0.00 0.00 36.38 36.40 2dll s VAL 26 CO 0.26 -0.26 1.22 0.26 -0.31 0.00 0.00 175.10 176.27 2dll s TRP 27 N -0.91 2.82 0.48 2.82 0.52 -1.26 -1.93 118.94 121.49 2dll s TRP 27 Ca -0.10 0.93 0.13 0.00 0.02 0.00 0.00 56.10 57.08 2dll s TRP 27 Cb -0.06 -3.96 1.13 0.00 -1.15 0.00 0.00 33.47 29.44 2dll s TRP 27 CO 0.01 -1.38 2.11 0.93 0.02 0.00 0.00 176.95 178.65 2dll h GLU 28 N 9.02 0.16 -6.52 4.98 5.08 -1.02 -3.42 114.58 122.86 2dll h GLU 28 Ca -0.24 -0.01 -0.65 0.00 -1.00 0.00 0.00 59.36 57.46 2dll h GLU 28 Cb 1.08 -0.04 -0.26 0.00 0.50 0.00 0.00 28.75 30.04 2dll h GLU 28 CO 1.05 0.12 -0.87 0.54 -1.00 0.00 0.00 179.01 178.85 2dll s ASN 29 N -6.95 2.94 0.38 1.42 2.20 -1.23 -5.02 114.94 108.67 2dll s ASN 29 Ca -0.06 -0.59 0.08 0.00 -0.94 0.00 0.00 52.86 51.35 2dll s ASN 29 Cb 0.17 -0.25 0.82 0.00 -2.00 0.00 0.00 41.25 39.99 2dll s ASN 29 CO 0.69 0.21 1.97 -0.33 -2.94 0.00 0.00 177.10 176.70 2dll h GLU 30 N 4.71 0.64 0.00 3.55 5.08 -1.93 -0.32 114.58 126.30 2dll h GLU 30 Ca -0.46 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 2dll h GLU 30 Cb 1.15 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.26 2dll h GLU 30 CO 0.43 0.42 0.28 1.05 -1.00 0.00 0.00 179.01 180.20 2dll h GLU 31 N 0.66 0.00 -3.70 2.33 4.11 -1.96 -3.44 114.58 112.58 2dll h GLU 31 Ca 0.30 0.00 -0.33 0.00 0.07 0.00 0.00 59.36 59.40 2dll h GLU 31 Cb 0.32 0.00 0.05 0.00 0.50 0.00 0.00 28.75 29.62 2dll h GLU 31 CO -0.10 0.00 -0.49 1.63 0.07 0.00 0.00 179.01 180.12 2dll n LYS 32 N -2.09 -3.99 -0.10 1.06 4.76 -0.13 -4.91 118.16 112.77 2dll n LYS 32 Ca -0.01 0.74 -0.13 0.00 -2.87 0.00 0.00 58.31 56.05 2dll n LYS 32 Cb 0.31 -5.24 -0.10 0.00 -1.84 0.00 0.00 35.03 28.15 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 -1.70 2.09 -4.54 4.39 7.64 -1.26 -4.99 113.62 115.24 2dll n SER 33 Ca -0.09 -0.08 -0.31 0.00 1.01 0.00 0.00 58.87 59.39 2dll n SER 33 Cb 0.60 -0.02 -0.11 0.00 -1.01 0.00 0.00 64.21 63.66 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 -2.40 3.29 0.30 0.44 1.01 -1.26 -2.76 121.20 119.82 2dll s ILE 34 Ca -0.23 -1.00 -0.08 0.00 0.00 0.00 0.00 60.65 59.34 2dll s ILE 34 Cb 0.06 -2.43 0.00 0.00 0.01 0.00 0.00 42.46 40.11 2dll s ILE 34 CO 0.51 0.33 0.50 0.72 0.00 0.00 0.00 174.94 177.01 2dll s PHE 35 N -1.00 0.67 -0.04 3.97 -0.71 -1.21 -0.37 117.98 119.29 2dll s PHE 35 Ca 0.17 -1.00 0.04 0.00 -1.04 0.00 0.00 56.93 55.10 2dll s PHE 35 Cb -0.11 0.12 -0.00 0.00 -1.21 0.00 0.00 43.02 41.82 2dll s PHE 35 CO 0.08 -1.11 -0.16 -0.98 -1.34 0.00 0.00 175.22 171.71 2dll s ARG 36 N -3.41 1.57 -0.11 1.99 1.70 -0.81 -2.31 118.95 117.57 2dll s ARG 36 Ca 0.26 -0.56 0.00 0.00 -0.47 0.00 0.00 55.73 54.97 2dll s ARG 36 Cb -0.01 -1.40 -0.02 0.00 -0.57 0.00 0.00 34.95 32.95 2dll s ARG 36 CO 0.14 0.24 -0.13 -1.50 -1.08 0.00 0.00 175.30 172.98 2dll s ILE 37 N -0.01 3.11 -0.29 4.99 2.07 -0.49 -3.39 121.20 127.20 2dll s ILE 37 Ca -0.02 -0.65 -0.29 0.00 -1.41 0.00 0.00 60.65 58.28 2dll s ILE 37 Cb -0.10 -2.29 -0.02 0.00 0.13 0.00 0.00 42.46 40.18 2dll s ILE 37 CO 0.01 0.54 1.66 -2.16 -1.91 0.00 0.00 174.94 173.08 2dll s PRO 38 N 0.12 3.59 -0.12 3.50 0.04 -1.26 0.27 135.00 141.13 2dll s PRO 38 Ca -0.06 1.48 0.16 0.00 0.04 0.00 0.00 61.00 62.62 2dll s PRO 38 Cb -0.15 -4.10 0.68 0.00 0.04 0.00 0.00 34.50 30.98 2dll s PRO 38 CO 0.05 -1.55 1.58 1.87 0.04 0.00 0.00 177.00 178.98 2dll n TRP 39 N 9.20 1.45 -1.68 0.56 -0.00 -0.90 -4.93 117.44 121.14 2dll n TRP 39 Ca 0.20 -0.57 -0.49 0.00 -0.00 0.00 0.00 57.50 56.65 2dll n TRP 39 Cb 0.46 -0.26 -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 0.99 2.12 -0.83 5.87 4.81 -1.25 -4.94 118.16 124.93 2dll n LYS 40 Ca 0.24 0.77 -0.28 0.00 -0.87 0.00 0.00 58.31 58.17 2dll n LYS 40 Cb 0.87 -2.60 0.22 0.00 0.02 0.00 0.00 35.03 33.54 2dll n LYS 40 CO 0.00 0.00 0.00 -1.58 1.17 0.00 0.00 177.40 176.99 2dll s HIS 41 N 3.65 1.68 -1.45 5.64 5.65 -1.26 -4.87 115.29 124.33 2dll s HIS 41 Ca 0.91 1.08 0.00 0.00 0.25 0.00 0.00 55.06 57.30 2dll s HIS 41 Cb -0.71 -3.17 0.00 0.00 -1.18 0.00 0.00 32.58 27.51 2dll s HIS 41 CO 0.51 -3.46 0.71 0.00 -0.65 0.00 0.00 174.74 171.84 2dll n ALA 42 N -4.60 2.47 -0.33 1.58 0.00 -1.26 -4.33 120.51 114.03 2dll n ALA 42 Ca 0.04 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.67 2dll n ALA 42 Cb 0.56 -1.00 0.37 0.00 0.00 0.00 0.00 19.45 19.37 2dll n ALA 42 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dll n GLY 43 N 0.22 -1.14 3.75 0.00 0.00 -1.26 -4.42 105.19 102.34 2dll n GLY 43 Ca 0.00 0.90 -0.37 0.00 0.00 0.00 0.00 46.02 46.55 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 -5.81 3.14 -0.13 1.61 2.47 -1.26 -4.96 119.74 114.80 2dll s LYS 44 Ca -0.11 1.92 0.06 0.00 -1.56 0.00 0.00 55.97 56.28 2dll s LYS 44 Cb 0.30 -2.09 -0.12 0.00 -1.46 0.00 0.00 37.83 34.45 2dll s LYS 44 CO 0.75 -1.09 -0.03 0.94 0.16 0.00 0.00 175.35 176.08 2dll n GLN 45 N -1.26 1.40 0.00 4.03 -0.06 -1.26 -4.44 117.38 115.78 2dll n GLN 45 Ca 0.12 0.03 0.14 0.00 -2.00 0.00 0.00 57.00 55.29 2dll n GLN 45 Cb 0.48 -1.29 0.85 0.00 -4.06 0.00 0.00 30.24 26.22 2dll n GLN 45 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 2dll n ASP 46 N -2.63 0.00 -4.69 1.69 9.92 -1.26 -4.83 116.55 114.74 2dll n ASP 46 Ca -0.22 -0.85 -0.42 0.00 -0.53 0.00 0.00 54.79 52.78 2dll n ASP 46 Cb 0.83 -0.02 -0.03 0.00 -0.64 0.00 0.00 41.12 41.26 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 -2.04 2.54 -0.20 1.24 1.13 -1.26 -4.83 117.35 113.92 2dll s TYR 47 Ca 0.42 0.38 0.11 0.00 -1.41 0.00 0.00 57.07 56.57 2dll s TYR 47 Cb 0.20 -3.96 0.62 0.00 -1.10 0.00 0.00 41.96 37.72 2dll s TYR 47 CO 0.34 -3.78 1.26 0.09 -2.51 0.00 0.00 175.55 170.94 2dll n ASN 48 N 5.30 0.30 -2.87 -0.18 4.13 -1.26 -4.74 115.26 115.93 2dll n ASN 48 Ca 0.15 0.54 -0.08 0.00 1.68 0.00 0.00 54.58 56.87 2dll n ASN 48 Cb 0.40 -0.53 -0.02 0.00 -1.54 0.00 0.00 39.78 38.10 2dll n ASN 48 CO 0.00 0.00 0.00 -2.11 0.28 0.00 0.00 177.26 175.43 2dll n ARG 49 N -1.92 -2.51 -0.01 3.52 0.00 -1.26 -4.64 116.66 109.84 2dll n ARG 49 Ca -0.01 0.03 -0.02 0.00 -0.00 0.00 0.00 57.85 57.85 2dll n ARG 49 Cb 0.22 -4.46 -0.01 0.00 -0.00 0.00 0.00 32.46 28.21 2dll n ARG 49 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 2dll n GLU 50 N -2.76 0.79 -0.03 2.89 0.28 -1.26 -4.47 120.64 116.08 2dll n GLU 50 Ca 0.02 0.01 -0.16 0.00 -0.16 0.00 0.00 57.16 56.88 2dll n GLU 50 Cb 0.48 -1.05 -0.13 0.00 1.43 0.00 0.00 31.44 32.17 2dll n GLU 50 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 2dll h GLU 51 N 0.00 0.10 -0.23 3.44 4.57 -1.99 -0.66 114.58 119.82 2dll h GLU 51 Ca -0.06 -0.16 0.01 0.00 -1.18 0.00 0.00 59.36 57.97 2dll h GLU 51 Cb 1.10 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.73 2dll h GLU 51 CO -0.01 1.03 0.13 -0.44 -1.18 0.00 0.00 179.01 178.55 2dll h ASP 52 N -0.74 0.22 0.75 1.04 3.32 -1.95 -2.61 116.42 116.44 2dll h ASP 52 Ca -0.04 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.86 2dll h ASP 52 Cb 1.15 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.63 2dll h ASP 52 CO 0.05 0.16 -0.71 0.00 -1.72 0.00 0.00 179.24 177.02 2dll h ALA 53 N 1.10 0.80 -0.72 3.45 0.00 -1.78 -3.29 119.26 118.82 2dll h ALA 53 Ca 0.09 -0.64 0.25 0.00 0.00 0.00 0.00 54.91 54.61 2dll h ALA 53 Cb -0.01 -0.11 -0.13 0.00 0.00 0.00 0.00 17.79 17.54 2dll h ALA 53 CO -0.04 0.88 0.22 0.00 0.00 0.00 0.00 179.25 180.31 2dll n ALA 54 N -2.39 0.57 0.03 0.00 0.00 -0.26 0.21 120.51 118.67 2dll n ALA 54 Ca -0.01 0.75 -0.01 0.00 0.00 0.00 0.00 53.44 54.17 2dll n ALA 54 Cb 0.70 -0.66 -0.01 0.00 0.00 0.00 0.00 19.45 19.49 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 -0.07 -0.84 0.00 5.85 -1.68 -2.32 115.31 116.24 2dll h LEU 55 Ca 0.53 0.00 0.14 0.00 0.84 0.00 0.00 57.88 59.39 2dll h LEU 55 Cb 1.29 0.02 -0.14 0.00 0.37 0.00 0.00 40.66 42.20 2dll h LEU 55 CO -0.61 0.02 -0.36 -0.26 -0.34 0.00 0.00 178.44 176.88 2dll h PHE 56 N -0.23 -1.01 0.45 1.25 0.04 -1.29 -0.87 116.94 115.27 2dll h PHE 56 Ca -0.01 0.09 -0.01 0.00 2.80 0.00 0.00 57.97 60.84 2dll h PHE 56 Cb 0.07 0.57 -0.02 0.00 2.20 0.00 0.00 35.95 38.76 2dll h PHE 56 CO 0.06 -0.40 -0.46 -0.22 -0.60 0.00 0.00 178.31 176.69 2dll h LYS 57 N -0.06 -0.89 -0.97 1.51 3.64 -0.38 -2.76 116.57 116.67 2dll h LYS 57 Ca 0.31 0.06 0.14 0.00 -1.27 0.00 0.00 60.65 59.89 2dll h LYS 57 Cb 0.58 0.20 -0.15 0.00 -0.41 0.00 0.00 32.23 32.45 2dll h LYS 57 CO -0.87 -0.59 -0.41 0.00 -2.27 0.00 0.00 179.45 175.31 2dll n ALA 58 N -2.77 -0.20 -0.16 5.00 0.00 -0.41 0.15 120.51 122.12 2dll n ALA 58 Ca -0.11 0.94 -0.03 0.00 0.00 0.00 0.00 53.44 54.24 2dll n ALA 58 Cb 0.43 -0.38 0.04 0.00 0.00 0.00 0.00 19.45 19.54 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 -0.31 -0.13 0.00 2.91 -1.10 0.56 115.95 117.88 2dll h TRP 59 Ca 0.31 0.05 0.02 0.00 1.13 0.00 0.00 58.89 60.39 2dll h TRP 59 Cb 0.55 0.22 -0.02 0.00 -0.51 0.00 0.00 29.16 29.40 2dll h TRP 59 CO -0.87 -0.23 0.01 0.00 -1.03 0.00 0.00 178.44 176.32 2dll h ALA 60 N 1.47 0.12 0.36 2.65 0.00 -0.02 -2.68 119.26 121.16 2dll h ALA 60 Ca 0.24 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 2dll h ALA 60 Cb 0.39 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2dll h ALA 60 CO -0.53 -0.44 -0.17 -0.07 0.00 0.00 0.00 179.25 178.04 2dll h LEU 61 N 0.06 -0.41 -0.33 0.00 3.38 -0.00 0.34 115.31 118.35 2dll h LEU 61 Ca 0.06 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.07 2dll h LEU 61 Cb 0.06 0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 2dll h LEU 61 CO -0.09 -0.25 -0.19 0.33 0.09 0.00 0.00 178.44 178.32 2dll n PHE 62 N -3.52 -0.14 -0.30 1.13 7.35 0.19 0.21 117.46 122.36 2dll n PHE 62 Ca -0.06 0.41 0.08 0.00 -0.76 0.00 0.00 57.45 57.12 2dll n PHE 62 Cb 0.19 -0.44 0.23 0.00 0.35 0.00 0.00 39.48 39.82 2dll n PHE 62 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 2dll h LYS 63 N 0.00 0.62 0.00 -4.13 1.79 -1.55 -3.46 116.57 109.84 2dll h LYS 63 Ca 0.05 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 2dll h LYS 63 Cb 0.13 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 30.64 2dll h LYS 63 CO -0.31 0.41 0.00 0.41 -1.08 0.00 0.00 179.45 178.89 2dll n GLY 64 N -1.33 0.95 0.10 3.86 0.00 0.56 -5.06 105.19 104.28 2dll n GLY 64 Ca 0.18 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.07 2dll n GLY 64 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2dll n LYS 65 N 0.00 0.83 -4.53 1.61 4.76 0.11 -5.01 118.16 115.94 2dll n LYS 65 Ca 0.00 0.06 -0.25 0.00 -2.87 0.00 0.00 58.31 55.25 2dll n LYS 65 Cb 0.00 -1.46 -0.11 0.00 -1.84 0.00 0.00 35.03 31.63 2dll n LYS 65 CO 0.00 0.00 0.00 0.12 -1.37 0.00 0.00 177.40 176.15 2dll s PHE 66 N -2.44 2.28 -0.23 2.13 5.36 -1.22 -4.98 117.98 118.88 2dll s PHE 66 Ca -0.20 -0.63 -0.04 0.00 -0.96 0.00 0.00 56.93 55.11 2dll s PHE 66 Cb 0.07 -1.40 0.09 0.00 -0.34 0.00 0.00 43.02 41.43 2dll s PHE 66 CO 0.63 0.43 0.16 1.03 -1.46 0.00 0.00 175.22 176.01 2dll s ARG 67 N -3.69 0.16 -0.32 10.12 1.81 -1.26 -4.58 118.95 121.20 2dll s ARG 67 Ca 0.33 -0.18 -0.34 0.00 -1.72 0.00 0.00 55.73 53.81 2dll s ARG 67 Cb 0.05 -1.33 -0.11 0.00 -0.45 0.00 0.00 34.95 33.11 2dll s ARG 67 CO 0.16 -0.83 2.17 -1.91 -0.68 0.00 0.00 175.30 174.20 2dll n GLU 68 N 5.28 1.25 0.00 3.54 2.13 -1.26 -0.75 120.64 130.83 2dll n GLU 68 Ca -0.06 0.35 0.00 0.00 0.66 0.00 0.00 57.16 58.11 2dll n GLU 68 Cb 0.46 -2.56 0.00 0.00 0.27 0.00 0.00 31.44 29.61 2dll n GLU 68 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2dll n GLY 69 N 6.27 3.10 0.07 8.31 0.00 -1.26 -4.87 105.19 116.82 2dll n GLY 69 Ca 0.38 -0.93 -0.02 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 0.00 0.00 -2.68 -0.61 2.04 -1.37 -3.47 117.51 111.41 2dll h ILE 70 Ca 0.00 -0.61 -0.46 0.00 1.00 0.00 0.00 64.86 64.79 2dll h ILE 70 Cb 0.00 0.00 0.09 0.00 -0.74 0.00 0.00 36.82 36.17 2dll h ILE 70 CO 0.00 0.00 0.16 -0.62 0.00 0.00 0.00 178.15 177.69 2dll s ASP 71 N -4.60 4.26 -0.16 1.72 -1.08 -0.55 -5.02 116.67 111.24 2dll s ASP 71 Ca -0.02 -0.13 -0.19 0.00 -0.52 0.00 0.00 52.55 51.69 2dll s ASP 71 Cb 0.00 -0.26 -0.03 0.00 -1.46 0.00 0.00 42.92 41.17 2dll s ASP 71 CO 0.05 -1.93 0.55 -0.75 0.52 0.00 0.00 175.17 173.61 2dll s LYS 72 N -5.25 4.27 -0.35 4.34 2.36 -1.26 -4.81 119.74 119.03 2dll s LYS 72 Ca 0.66 0.52 -0.28 0.00 -2.55 0.00 0.00 55.97 54.31 2dll s LYS 72 Cb -0.06 -3.51 -0.01 0.00 -1.05 0.00 0.00 37.83 33.19 2dll s LYS 72 CO 0.45 -0.05 1.70 -1.25 1.55 0.00 0.00 175.35 177.75 2dll s PRO 73 N 1.30 3.40 -0.30 4.03 0.04 -1.26 -4.97 135.00 137.24 2dll s PRO 73 Ca 0.27 1.31 0.01 0.00 0.04 0.00 0.00 61.00 62.63 2dll s PRO 73 Cb -0.16 -4.15 0.09 0.00 0.04 0.00 0.00 34.50 30.32 2dll s PRO 73 CO 0.11 -1.78 0.06 -0.51 0.04 0.00 0.00 177.00 174.92 2dll s ASP 74 N 5.53 4.18 0.28 6.66 1.01 -1.26 -5.00 116.67 128.06 2dll s ASP 74 Ca 0.75 -1.69 0.02 0.00 0.71 0.00 0.00 52.55 52.34 2dll s ASP 74 Cb -0.20 -1.13 0.67 0.00 1.01 0.00 0.00 42.92 43.27 2dll s ASP 74 CO 0.33 -0.37 1.69 -0.65 0.21 0.00 0.00 175.17 176.38 2dll h PRO 75 N 7.93 0.34 -0.64 8.23 0.11 -2.00 -1.61 132.00 144.37 2dll h PRO 75 Ca -0.12 -0.02 0.13 0.00 0.11 0.00 0.00 66.00 66.11 2dll h PRO 75 Cb 1.03 -0.08 -0.12 0.00 0.11 0.00 0.00 31.00 31.95 2dll h PRO 75 CO 0.47 0.23 -0.09 -1.35 -0.21 0.00 0.00 178.00 177.05 2dll h PRO 76 N 0.35 0.05 -0.25 1.05 0.11 -1.98 0.26 132.00 131.58 2dll h PRO 76 Ca 0.53 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.64 2dll h PRO 76 Cb 1.00 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.09 2dll h PRO 76 CO -0.54 0.03 0.16 1.15 -0.21 0.00 0.00 178.00 178.59 2dll h THR 77 N 0.05 1.08 0.39 -1.15 2.02 -1.72 0.19 112.91 113.77 2dll h THR 77 Ca 0.32 -0.18 -0.02 0.00 0.77 0.00 0.00 66.41 67.30 2dll h THR 77 Cb 0.51 0.75 0.00 0.00 -1.74 0.00 0.00 68.15 67.68 2dll h THR 77 CO -0.61 0.08 -0.19 -0.50 0.37 0.00 0.00 175.52 174.67 2dll h TRP 78 N 0.33 -0.49 0.39 3.16 6.55 -1.15 0.35 115.95 125.09 2dll h TRP 78 Ca 0.09 -0.01 -0.01 0.00 0.95 0.00 0.00 58.89 59.91 2dll h TRP 78 Cb -0.01 0.16 -0.01 0.00 -0.86 0.00 0.00 29.16 28.44 2dll h TRP 78 CO -0.05 -0.25 -0.31 -0.22 -1.05 0.00 0.00 178.44 176.56 2dll h LYS 79 N -0.61 -0.68 -0.27 0.49 3.64 -0.47 -1.35 116.57 117.32 2dll h LYS 79 Ca -0.05 0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.40 2dll h LYS 79 Cb 0.45 0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.39 2dll h LYS 79 CO 0.09 -0.45 0.08 1.15 -2.27 0.00 0.00 179.45 178.04 2dll h THR 80 N -0.70 0.90 -0.11 1.00 2.02 -0.63 0.25 112.91 115.64 2dll h THR 80 Ca -0.03 -0.07 0.04 0.00 0.77 0.00 0.00 66.41 67.12 2dll h THR 80 Cb 0.61 0.70 -0.06 0.00 -1.74 0.00 0.00 68.15 67.65 2dll h THR 80 CO -0.01 0.03 -0.39 0.03 0.37 0.00 0.00 175.52 175.55 2dll h ARG 81 N 0.19 -0.46 -0.68 6.66 2.47 -0.12 -0.22 114.38 122.23 2dll h ARG 81 Ca 0.12 0.03 -0.05 0.00 -1.26 0.00 0.00 59.98 58.83 2dll h ARG 81 Cb 0.11 0.10 -0.03 0.00 -1.65 0.00 0.00 29.97 28.50 2dll h ARG 81 CO -0.14 -0.31 0.24 1.25 0.56 0.00 0.00 179.97 181.57 2dll h LEU 82 N -0.48 0.96 -0.40 3.04 5.85 -1.04 -2.55 115.31 120.70 2dll h LEU 82 Ca 0.08 -0.19 0.08 0.00 0.84 0.00 0.00 57.88 58.69 2dll h LEU 82 Cb 0.61 -0.25 -0.07 0.00 0.37 0.00 0.00 40.66 41.31 2dll h LEU 82 CO -0.37 0.89 -0.08 -0.09 -0.34 0.00 0.00 178.44 178.45 2dll h ARG 83 N 0.98 0.02 -0.54 1.25 2.43 0.26 0.28 114.38 119.06 2dll h ARG 83 Ca 0.22 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.38 2dll h ARG 83 Cb 0.25 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.78 2dll h ARG 83 CO -0.01 0.01 0.28 0.00 -1.51 0.00 0.00 179.97 178.74 2dll h ALA 85 N 1.12 -0.15 -0.98 0.00 0.00 -0.90 0.44 119.26 118.79 2dll h ALA 85 Ca 0.19 -0.00 0.30 0.00 0.00 0.00 0.00 54.91 55.40 2dll h ALA 85 Cb 0.07 0.19 -0.15 0.00 0.00 0.00 0.00 17.79 17.90 2dll h ALA 85 CO -0.03 -0.61 0.52 1.25 0.00 0.00 0.00 179.25 180.38 2dll h LEU 86 N -0.20 0.44 0.04 0.00 5.85 -0.84 0.26 115.31 120.85 2dll h LEU 86 Ca 0.03 0.19 -0.10 0.00 0.84 0.00 0.00 57.88 58.84 2dll h LEU 86 Cb 0.24 0.15 0.01 0.00 0.37 0.00 0.00 40.66 41.43 2dll h LEU 86 CO -0.09 -0.13 -0.43 -1.13 -0.34 0.00 0.00 178.44 176.32 2dll h ASN 87 N 0.32 0.31 -0.81 1.25 -1.24 -1.34 -3.30 115.58 110.76 2dll h ASN 87 Ca 0.70 -0.85 0.13 0.00 0.71 0.00 0.00 56.30 56.98 2dll h ASN 87 Cb 1.56 -0.10 -0.09 0.00 0.73 0.00 0.00 38.32 40.43 2dll h ASN 87 CO -0.61 1.13 0.42 0.11 -1.29 0.00 0.00 177.43 177.19 2dll h LYS 88 N -0.47 0.62 -6.02 6.67 1.79 0.12 -3.40 116.57 115.89 2dll h LYS 88 Ca -0.06 -0.04 -0.64 0.00 -2.18 0.00 0.00 60.65 57.73 2dll h LYS 88 Cb 1.23 -0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 31.73 2dll h LYS 88 CO 0.08 0.41 1.41 -1.13 -1.08 0.00 0.00 179.45 179.15 2dll n SER 89 N -4.85 2.68 0.11 0.86 3.41 0.68 -4.82 113.62 111.69 2dll n SER 89 Ca 0.15 0.39 -0.03 0.00 -0.26 0.00 0.00 58.87 59.12 2dll n SER 89 Cb 0.37 -1.38 0.07 0.00 -0.26 0.00 0.00 64.21 63.01 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 13.03 0.01 0.00 4.04 2.35 -1.89 -2.95 115.58 130.17 2dll h ASN 90 Ca -0.34 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.40 2dll h ASN 90 Cb 1.29 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.65 2dll h ASN 90 CO 0.99 0.76 0.00 0.47 -1.65 0.00 0.00 177.43 178.00 2dll n ASP 91 N -3.65 0.00 -4.14 5.81 9.92 -1.26 -4.68 116.55 118.54 2dll n ASP 91 Ca -0.01 -1.56 -0.27 0.00 -0.53 0.00 0.00 54.79 52.42 2dll n ASP 91 Cb 0.73 -0.00 -0.16 0.00 -0.64 0.00 0.00 41.12 41.04 2dll n ASP 91 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 2dll s PHE 92 N -2.00 1.87 -0.10 1.24 0.40 -1.12 0.23 117.98 118.51 2dll s PHE 92 Ca 0.00 -0.59 -0.00 0.00 -0.60 0.00 0.00 56.93 55.73 2dll s PHE 92 Cb 0.00 -1.26 -0.03 0.00 0.51 0.00 0.00 43.02 42.24 2dll s PHE 92 CO 0.00 -0.22 -0.07 -2.00 0.70 0.00 0.00 175.22 173.63 2dll s GLU 93 N 0.15 3.04 -0.41 0.44 2.12 0.10 -4.85 118.70 119.30 2dll s GLU 93 Ca -0.07 -0.55 -0.23 0.00 0.36 0.00 0.00 54.97 54.48 2dll s GLU 93 Cb -0.13 -2.68 0.02 0.00 0.26 0.00 0.00 34.13 31.60 2dll s GLU 93 CO 0.03 0.52 0.78 -2.00 -0.54 0.00 0.00 175.26 174.06 2dll s GLU 94 N -0.41 3.57 -0.54 4.30 2.12 -1.26 -0.02 118.70 126.45 2dll s GLU 94 Ca 0.06 0.09 -0.18 0.00 0.36 0.00 0.00 54.97 55.30 2dll s GLU 94 Cb -0.12 -3.88 0.09 0.00 0.26 0.00 0.00 34.13 30.49 2dll s GLU 94 CO 0.02 -0.99 0.60 -0.51 -0.54 0.00 0.00 175.26 173.84 2dll s LEU 95 N 3.20 5.50 -0.06 2.70 1.43 0.29 -4.88 118.68 126.86 2dll s LEU 95 Ca 0.30 -1.38 0.04 0.00 -1.03 0.00 0.00 54.13 52.06 2dll s LEU 95 Cb -0.13 -2.30 -0.25 0.00 0.03 0.00 0.00 46.19 43.55 2dll s LEU 95 CO 0.20 -0.94 0.61 0.58 0.23 0.00 0.00 176.35 177.03 2dll h VAL 96 N 5.88 0.84 -0.95 -1.59 2.07 -1.94 -3.14 116.25 117.42 2dll h VAL 96 Ca -0.29 -2.61 0.18 0.00 0.82 0.00 0.00 66.70 64.80 2dll h VAL 96 Cb 1.10 2.51 -0.11 0.00 -1.52 0.00 0.00 31.29 33.27 2dll h VAL 96 CO 1.02 0.69 0.55 -0.33 0.02 0.00 0.00 177.57 179.52 2dll h GLU 97 N 0.04 0.67 0.00 1.57 5.08 -1.94 0.20 114.58 120.20 2dll h GLU 97 Ca -0.32 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 2dll h GLU 97 Cb 2.02 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 31.11 2dll h GLU 97 CO 0.10 0.44 -0.71 0.54 -1.00 0.00 0.00 179.01 178.38 2dll n ARG 98 N -4.82 0.26 -1.79 2.33 1.74 -1.26 -4.90 116.66 108.22 2dll n ARG 98 Ca 0.22 0.06 -0.42 0.00 -0.77 0.00 0.00 57.85 56.93 2dll n ARG 98 Cb 0.55 -1.64 -0.03 0.00 -1.02 0.00 0.00 32.46 30.32 2dll n ARG 98 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2dll s SER 99 N -4.02 6.44 -0.32 0.55 1.04 0.71 -4.69 113.70 113.41 2dll s SER 99 Ca 0.06 2.79 0.03 0.00 0.48 0.00 0.00 55.95 59.32 2dll s SER 99 Cb 0.14 -2.60 0.09 0.00 0.10 0.00 0.00 66.02 63.75 2dll s SER 99 CO 0.74 -0.93 0.03 -1.10 0.98 0.00 0.00 173.24 172.95 2dll s GLN 100 N 1.19 1.48 -0.01 4.02 -1.52 -0.39 -4.91 119.66 119.51 2dll s GLN 100 Ca 0.73 -1.63 0.03 0.00 -1.95 0.00 0.00 55.36 52.54 2dll s GLN 100 Cb -0.48 -2.95 0.08 0.00 -0.22 0.00 0.00 33.01 29.44 2dll s GLN 100 CO 0.32 -0.87 1.06 1.28 -0.25 0.00 0.00 175.29 176.82 2dll n LEU 101 N 4.39 2.22 -0.46 2.90 4.77 -1.26 0.49 117.00 130.05 2dll n LEU 101 Ca -0.00 -2.05 0.05 0.00 -0.03 0.00 0.00 56.01 53.97 2dll n LEU 101 Cb 0.42 -0.07 0.09 0.00 -2.33 0.00 0.00 43.42 41.53 2dll n LEU 101 CO 0.20 0.56 0.51 -0.90 -1.33 0.00 0.00 177.39 176.42 2dll n ASP 102 N -0.33 2.30 -4.90 -1.43 5.75 -1.26 -4.74 116.55 111.94 2dll n ASP 102 Ca 0.03 -1.70 -0.20 0.00 -0.01 0.00 0.00 54.79 52.91 2dll n ASP 102 Cb 0.31 -0.10 -0.02 0.00 -1.03 0.00 0.00 41.12 40.27 2dll n ASP 102 CO 0.00 0.00 0.00 0.27 -0.11 0.00 0.00 177.20 177.36 2dll s ILE 103 N -0.90 3.11 0.10 2.12 -0.00 -1.26 -5.01 121.20 119.37 2dll s ILE 103 Ca 0.15 -1.27 -0.18 0.00 -0.00 0.00 0.00 60.65 59.36 2dll s ILE 103 Cb 0.09 -3.09 -0.02 0.00 -0.00 0.00 0.00 42.46 39.43 2dll s ILE 103 CO 0.13 -0.07 0.93 -1.20 -0.00 0.00 0.00 174.94 174.72 2dll n SER 104 N -1.55 -0.61 -4.19 4.36 7.64 -1.26 -3.30 113.62 114.71 2dll n SER 104 Ca 0.02 1.07 -0.37 0.00 1.01 0.00 0.00 58.87 60.60 2dll n SER 104 Cb 0.60 -0.15 -0.12 0.00 -1.01 0.00 0.00 64.21 63.53 2dll n SER 104 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2dll s ASP 105 N -5.29 5.24 0.53 6.43 1.01 -1.26 -5.09 116.67 118.23 2dll s ASP 105 Ca -0.07 -1.56 -0.20 0.00 0.71 0.00 0.00 52.55 51.42 2dll s ASP 105 Cb 0.07 -1.83 -0.06 0.00 1.01 0.00 0.00 42.92 42.11 2dll s ASP 105 CO 0.38 -0.43 1.14 -2.16 0.21 0.00 0.00 175.17 174.31 2dll s PRO 106 N 1.27 3.43 -0.09 8.23 0.04 -1.21 -4.84 135.00 141.83 2dll s PRO 106 Ca 0.02 1.64 -0.30 0.00 0.04 0.00 0.00 61.00 62.40 2dll s PRO 106 Cb -0.21 -2.08 0.11 0.00 0.04 0.00 0.00 34.50 32.36 2dll s PRO 106 CO -0.01 -0.79 0.93 1.52 0.04 0.00 0.00 177.00 178.69 2dll s TYR 107 N -1.73 -0.39 -0.17 0.56 -0.85 0.18 -2.12 117.35 112.84 2dll s TYR 107 Ca 0.71 0.52 -0.02 0.00 -0.52 0.00 0.00 57.07 57.76 2dll s TYR 107 Cb -0.25 0.48 -0.02 0.00 0.38 0.00 0.00 41.96 42.56 2dll s TYR 107 CO 0.28 -0.44 -0.08 0.15 -1.52 0.00 0.00 175.55 173.94 2dll s LYS 108 N -1.87 3.45 0.23 -3.49 1.02 0.14 -1.26 119.74 117.96 2dll s LYS 108 Ca -0.00 -0.63 -0.13 0.00 0.02 0.00 0.00 55.97 55.24 2dll s LYS 108 Cb -0.01 -2.83 -0.08 0.00 -0.52 0.00 0.00 37.83 34.40 2dll s LYS 108 CO -0.02 0.08 0.61 0.08 -0.92 0.00 0.00 175.35 175.18 2dll s VAL 109 N 0.73 4.82 0.21 3.17 1.01 -1.19 -1.39 120.40 127.76 2dll s VAL 109 Ca -0.04 0.73 -0.01 0.00 0.00 0.00 0.00 61.98 62.66 2dll s VAL 109 Cb -0.15 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 2dll s VAL 109 CO 0.02 -0.01 0.16 -0.31 0.00 0.00 0.00 175.10 174.96 2dll s TYR 110 N -1.76 1.16 -0.06 5.22 1.51 -0.98 -0.55 117.35 121.90 2dll s TYR 110 Ca 0.47 -1.37 -0.00 0.00 -1.01 0.00 0.00 57.07 55.16 2dll s TYR 110 Cb -0.12 -0.53 0.03 0.00 -0.11 0.00 0.00 41.96 41.22 2dll s TYR 110 CO 0.20 -0.67 -0.02 0.50 -1.11 0.00 0.00 175.55 174.45 2dll s ARG 111 N -4.10 0.68 -0.52 -0.62 3.52 0.97 -3.35 118.95 115.52 2dll s ARG 111 Ca 0.38 0.02 -0.27 0.00 -0.13 0.00 0.00 55.73 55.73 2dll s ARG 111 Cb 0.06 -0.89 -0.01 0.00 -1.56 0.00 0.00 34.95 32.56 2dll s ARG 111 CO 0.13 -0.20 1.72 0.42 -0.81 0.00 0.00 175.30 176.56 2dll s ILE 112 N 1.47 3.51 -0.17 4.11 1.01 -1.11 0.02 121.20 130.04 2dll s ILE 112 Ca -0.03 0.41 -0.29 0.00 0.00 0.00 0.00 60.65 60.74 2dll s ILE 112 Cb -0.13 -4.00 -0.00 0.00 0.01 0.00 0.00 42.46 38.34 2dll s ILE 112 CO -0.03 -0.85 1.02 -0.69 0.00 0.00 0.00 174.94 174.40 2dll s VAL 113 N 7.68 4.73 0.62 2.92 1.01 0.64 -4.94 120.40 133.06 2dll s VAL 113 Ca 0.66 2.03 -0.10 0.00 0.00 0.00 0.00 61.98 64.57 2dll s VAL 113 Cb -0.15 -4.31 0.15 0.00 0.00 0.00 0.00 36.38 32.08 2dll s VAL 113 CO 0.25 -0.09 0.55 -0.81 0.00 0.00 0.00 175.10 175.00 2dll n PRO 114 N 5.67 -2.11 -3.57 2.72 -0.04 -1.26 -4.45 135.00 131.96 2dll n PRO 114 Ca 0.10 -0.88 -0.23 0.00 -0.04 0.00 0.00 63.50 62.46 2dll n PRO 114 Cb 0.47 -0.83 -0.00 0.00 -0.04 0.00 0.00 33.50 33.10 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 -4.25 2.38 -0.21 0.54 -1.05 -1.26 -4.90 118.70 109.95 2dll s GLU 115 Ca 0.36 -1.74 -0.05 0.00 -0.15 0.00 0.00 54.97 53.38 2dll s GLU 115 Cb -0.04 -2.33 0.11 0.00 -0.44 0.00 0.00 34.13 31.43 2dll s GLU 115 CO 0.27 -0.49 0.41 0.45 0.95 0.00 0.00 175.26 176.85 2dll s SER 116 N -4.30 -0.15 0.24 0.83 0.15 -1.26 -5.16 113.70 104.05 2dll s SER 116 Ca 0.45 0.76 -0.04 0.00 0.70 0.00 0.00 55.95 57.83 2dll s SER 116 Cb -0.03 1.31 -0.05 0.00 -1.71 0.00 0.00 66.02 65.53 2dll s SER 116 CO 0.28 -0.25 0.48 -0.83 1.20 0.00 0.00 173.24 174.11 2dll s GLY 117 N 2.60 1.95 0.00 9.45 0.00 -1.26 -4.96 107.32 115.10 2dll s GLY 117 Ca 0.03 -0.60 0.07 0.00 0.00 0.00 0.00 44.72 44.22 2dll s GLY 117 CO -0.14 -0.51 0.88 -1.55 0.00 0.00 0.00 173.10 171.78 2dll n PRO 118 N -0.61 0.49 0.35 2.90 -0.04 -1.26 -3.60 135.00 133.23 2dll n PRO 118 Ca -0.02 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.28 2dll n PRO 118 Cb 0.53 -1.23 -0.07 0.00 -0.04 0.00 0.00 33.50 32.69 2dll n PRO 118 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2dll h SER 119 N 0.00 -0.77 -3.26 3.54 0.02 -2.06 -3.42 113.55 107.60 2dll h SER 119 Ca 0.00 0.00 -0.66 0.00 -0.84 0.00 0.00 61.79 60.29 2dll h SER 119 Cb 0.00 0.20 -0.31 0.00 0.14 0.00 0.00 62.40 62.43 2dll h SER 119 CO 0.00 -0.41 -0.80 -0.44 -1.14 0.00 0.00 176.83 174.04 2dll s SER 120 N -4.50 3.69 0.00 3.07 0.01 -1.24 -5.32 113.70 109.41 2dll s SER 120 Ca -0.15 -0.48 0.07 0.00 1.31 0.00 0.00 55.95 56.70 2dll s SER 120 Cb 0.02 -1.58 0.05 0.00 0.21 0.00 0.00 66.02 64.72 2dll s SER 120 CO 0.46 0.06 0.71 0.61 0.41 0.00 0.00 173.24 175.49