#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dyy s GLU 3 N 0.00 0.72 0.00 1.64 2.02 -0.19 -4.98 118.70 117.92 2dyy s GLU 3 Ca 0.00 0.78 -0.12 0.00 0.02 0.00 0.00 54.97 55.65 2dyy s GLU 3 Cb 0.00 0.35 -0.05 0.00 0.10 0.00 0.00 34.13 34.52 2dyy s GLU 3 CO 0.00 -0.10 0.36 0.54 0.02 0.00 0.00 175.26 176.08 2dyy s VAL 4 N 0.20 5.14 0.03 2.63 0.11 -1.26 -0.40 120.40 126.85 2dyy s VAL 4 Ca -0.01 0.59 0.06 0.00 -2.93 0.00 0.00 61.98 59.69 2dyy s VAL 4 Cb -0.04 -3.64 -0.03 0.00 -1.53 0.00 0.00 36.38 31.14 2dyy s VAL 4 CO 0.01 0.49 -0.15 -0.63 -3.33 0.00 0.00 175.10 171.49 2dyy s ILE 5 N -1.18 3.02 0.05 7.04 1.09 -0.94 -4.98 121.20 125.31 2dyy s ILE 5 Ca 0.25 -1.09 -0.04 0.00 -1.10 0.00 0.00 60.65 58.67 2dyy s ILE 5 Cb -0.15 -2.29 -0.02 0.00 -1.06 0.00 0.00 42.46 38.94 2dyy s ILE 5 CO 0.13 0.34 0.05 0.12 -0.10 0.00 0.00 174.94 175.49 2dyy s PHE 6 N -0.95 0.32 -0.07 3.97 5.36 -1.26 -4.05 117.98 121.29 2dyy s PHE 6 Ca 0.16 -0.74 -0.30 0.00 -0.96 0.00 0.00 56.93 55.09 2dyy s PHE 6 Cb -0.11 -0.23 0.11 0.00 -0.34 0.00 0.00 43.02 42.46 2dyy s PHE 6 CO 0.06 -0.39 0.93 -0.08 -1.46 0.00 0.00 175.22 174.28 2dyy s THR 7 N -3.25 0.00 -1.07 0.12 -1.32 -1.26 -4.96 115.64 103.90 2dyy s THR 7 Ca 0.01 0.00 0.25 0.00 -1.21 0.00 0.00 61.69 60.73 2dyy s THR 7 Cb 0.03 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 70.01 2dyy s THR 7 CO -0.08 0.00 1.35 1.21 -2.21 0.00 0.00 174.62 174.89 2dyy n GLU 8 N 0.20 0.08 0.00 7.08 0.00 -1.26 -3.95 120.64 122.79 2dyy n GLU 8 Ca -0.10 -0.05 0.14 0.00 0.00 0.00 0.00 57.16 57.15 2dyy n GLU 8 Cb 0.60 -1.50 0.80 0.00 0.00 0.00 0.00 31.44 31.34 2dyy n GLU 8 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 2dyy n ASN 9 N -1.41 0.00 -3.92 4.31 4.13 -1.26 -4.69 115.26 112.42 2dyy n ASN 9 Ca 0.06 -0.66 -0.10 0.00 1.68 0.00 0.00 54.58 55.56 2dyy n ASN 9 Cb 0.34 -0.08 -0.11 0.00 -1.54 0.00 0.00 39.78 38.38 2dyy n ASN 9 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2dyy s ALA 10 N -2.16 -0.07 0.15 5.41 0.00 -1.25 -4.64 121.76 119.19 2dyy s ALA 10 Ca 0.38 -0.29 -0.26 0.00 0.00 0.00 0.00 51.96 51.79 2dyy s ALA 10 Cb 0.19 0.08 -0.15 0.00 0.00 0.00 0.00 23.12 23.24 2dyy s ALA 10 CO 0.35 -0.15 0.51 -2.30 0.00 0.00 0.00 175.76 174.18 2dyy n PRO 11 N 1.87 0.00 -2.56 0.00 -0.02 -1.26 -4.86 135.00 128.18 2dyy n PRO 11 Ca -0.21 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 60.85 2dyy n PRO 11 Cb 0.56 -0.93 -0.03 0.00 -0.02 0.00 0.00 33.50 33.09 2dyy n PRO 11 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2dyy s LYS 12 N -0.77 4.44 -0.82 -0.52 2.20 -1.26 -4.94 119.74 118.08 2dyy s LYS 12 Ca 0.59 1.58 -0.25 0.00 -0.36 0.00 0.00 55.97 57.52 2dyy s LYS 12 Cb -0.85 -3.47 -0.10 0.00 -1.51 0.00 0.00 37.83 31.90 2dyy s LYS 12 CO 0.49 -0.27 2.21 -1.25 -0.36 0.00 0.00 175.35 176.18 2dyy s PRO 13 N 1.55 2.02 -0.55 4.03 0.04 -1.26 -4.89 135.00 135.93 2dyy s PRO 13 Ca 0.54 0.22 -0.27 0.00 0.04 0.00 0.00 61.00 61.53 2dyy s PRO 13 Cb -0.24 -4.87 -0.01 0.00 0.04 0.00 0.00 34.50 29.42 2dyy s PRO 13 CO 0.25 -3.94 1.71 -1.50 0.04 0.00 0.00 177.00 173.57 2dyy s ILE 14 N 12.69 3.50 0.00 0.56 2.07 -1.26 -4.61 121.20 134.15 2dyy s ILE 14 Ca 0.83 0.38 0.00 0.00 -1.41 0.00 0.00 60.65 60.45 2dyy s ILE 14 Cb -0.11 -4.05 0.00 0.00 0.13 0.00 0.00 42.46 38.43 2dyy s ILE 14 CO 0.06 -0.93 0.00 0.61 -1.91 0.00 0.00 174.94 172.77 2dyy n GLY 15 N 5.53 1.91 2.50 1.50 0.00 -1.26 -4.86 105.19 110.51 2dyy n GLY 15 Ca 0.18 -2.04 -0.34 0.00 0.00 0.00 0.00 46.02 43.82 2dyy n GLY 15 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dyy n PRO 16 N -1.50 2.93 -4.07 1.61 -0.04 -1.26 -4.78 135.00 127.89 2dyy n PRO 16 Ca 0.00 -1.96 -0.08 0.00 -0.04 0.00 0.00 63.50 61.42 2dyy n PRO 16 Cb 0.00 -2.74 -0.09 0.00 -0.04 0.00 0.00 33.50 30.63 2dyy n PRO 16 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2dyy s TYR 17 N 2.88 0.56 0.37 0.54 2.02 -1.26 -5.18 117.35 117.27 2dyy s TYR 17 Ca 0.56 -1.03 0.09 0.00 -0.37 0.00 0.00 57.07 56.32 2dyy s TYR 17 Cb 0.15 -0.35 -0.07 0.00 -0.40 0.00 0.00 41.96 41.29 2dyy s TYR 17 CO -0.04 -0.46 -0.03 -1.12 -1.57 0.00 0.00 175.55 172.33 2dyy s SER 18 N -2.95 3.90 0.17 2.29 0.01 -1.26 -4.74 113.70 111.12 2dyy s SER 18 Ca 0.12 -1.20 0.08 0.00 1.31 0.00 0.00 55.95 56.26 2dyy s SER 18 Cb 0.07 -0.40 -0.04 0.00 0.21 0.00 0.00 66.02 65.86 2dyy s SER 18 CO -0.06 -0.30 1.38 1.56 0.41 0.00 0.00 173.24 176.23 2dyy h GLN 19 N 1.88 0.00 -1.63 12.44 4.20 -1.93 -3.42 115.11 126.64 2dyy h GLN 19 Ca -0.43 0.00 0.14 0.00 0.06 0.00 0.00 58.65 58.42 2dyy h GLN 19 Cb 1.25 0.00 -0.21 0.00 0.30 0.00 0.00 27.48 28.82 2dyy h GLN 19 CO 0.73 0.87 0.64 0.00 -0.67 0.00 0.00 178.83 180.40 2dyy s ALA 20 N -2.97 -1.96 0.07 3.87 0.00 -1.26 -1.94 121.76 117.57 2dyy s ALA 20 Ca 0.00 1.51 0.07 0.00 0.00 0.00 0.00 51.96 53.55 2dyy s ALA 20 Cb 0.11 -0.47 -0.03 0.00 0.00 0.00 0.00 23.12 22.72 2dyy s ALA 20 CO 0.80 -0.43 -0.20 0.42 0.00 0.00 0.00 175.76 176.34 2dyy s ILE 21 N -1.76 1.65 -0.19 0.00 1.09 -0.29 -2.21 121.20 119.49 2dyy s ILE 21 Ca 0.03 -1.32 0.01 0.00 -1.10 0.00 0.00 60.65 58.27 2dyy s ILE 21 Cb -0.01 -1.46 0.03 0.00 -1.06 0.00 0.00 42.46 39.96 2dyy s ILE 21 CO -0.03 0.09 -0.15 -0.75 -0.10 0.00 0.00 174.94 173.99 2dyy s LYS 22 N -1.46 2.51 -0.03 2.79 2.36 0.46 -0.90 119.74 125.47 2dyy s LYS 22 Ca 0.07 -0.86 0.01 0.00 -2.55 0.00 0.00 55.97 52.64 2dyy s LYS 22 Cb -0.09 -2.49 0.01 0.00 -1.05 0.00 0.00 37.83 34.21 2dyy s LYS 22 CO 0.03 -0.32 -0.05 0.00 1.55 0.00 0.00 175.35 176.55 2dyy s ALA 23 N 1.32 0.59 0.00 3.13 0.00 -0.87 -1.02 121.76 124.92 2dyy s ALA 23 Ca 0.01 -0.12 0.00 0.00 0.00 0.00 0.00 51.96 51.85 2dyy s ALA 23 Cb -0.15 -0.30 0.00 0.00 0.00 0.00 0.00 23.12 22.67 2dyy s ALA 23 CO -0.10 0.05 0.00 0.41 0.00 0.00 0.00 175.76 176.11 2dyy n GLY 24 N 3.60 3.13 1.42 0.00 0.00 -1.26 -1.22 105.19 110.87 2dyy n GLY 24 Ca -0.21 -0.31 0.11 0.00 0.00 0.00 0.00 46.02 45.61 2dyy n GLY 24 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2dyy n ASN 25 N 1.77 4.14 -4.88 1.61 5.03 -1.26 -4.96 115.26 116.72 2dyy n ASN 25 Ca 0.00 -2.10 -0.33 0.00 0.87 0.00 0.00 54.58 53.01 2dyy n ASN 25 Cb 0.00 -0.51 -0.05 0.00 -1.02 0.00 0.00 39.78 38.19 2dyy n ASN 25 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 2dyy s PHE 26 N -1.21 3.50 -0.23 3.10 0.08 -0.35 -1.48 117.98 121.39 2dyy s PHE 26 Ca 0.50 0.33 0.02 0.00 0.12 0.00 0.00 56.93 57.90 2dyy s PHE 26 Cb 0.27 -1.81 0.04 0.00 -0.57 0.00 0.00 43.02 40.95 2dyy s PHE 26 CO 0.32 0.63 -0.14 -1.17 -0.10 0.00 0.00 175.22 174.75 2dyy s LEU 27 N -1.86 2.89 -0.32 -0.37 2.96 0.14 -2.04 118.68 120.08 2dyy s LEU 27 Ca 0.26 -1.05 -0.12 0.00 -0.22 0.00 0.00 54.13 53.00 2dyy s LEU 27 Cb -0.12 -1.53 -0.03 0.00 0.50 0.00 0.00 46.19 45.01 2dyy s LEU 27 CO 0.17 -0.11 0.21 -0.36 -1.32 0.00 0.00 176.35 174.95 2dyy s PHE 28 N 1.20 3.22 -0.20 5.38 0.08 -0.08 -0.96 117.98 126.61 2dyy s PHE 28 Ca -0.03 -0.12 -0.08 0.00 0.12 0.00 0.00 56.93 56.83 2dyy s PHE 28 Cb -0.17 -2.43 -0.04 0.00 -0.57 0.00 0.00 43.02 39.81 2dyy s PHE 28 CO -0.08 -0.29 0.08 0.42 -0.10 0.00 0.00 175.22 175.24 2dyy s ILE 29 N 1.73 4.76 0.64 0.64 1.01 0.01 -1.14 121.20 128.84 2dyy s ILE 29 Ca 0.06 -0.04 -0.18 0.00 0.00 0.00 0.00 60.65 60.50 2dyy s ILE 29 Cb -0.17 -3.17 -0.01 0.00 0.01 0.00 0.00 42.46 39.12 2dyy s ILE 29 CO 0.10 0.42 1.25 0.00 0.00 0.00 0.00 174.94 176.71 2dyy s ALA 30 N 0.71 2.41 0.03 9.38 0.00 -0.82 -3.24 121.76 130.23 2dyy s ALA 30 Ca 0.04 1.09 -0.32 0.00 0.00 0.00 0.00 51.96 52.77 2dyy s ALA 30 Cb -0.13 -3.50 -0.10 0.00 0.00 0.00 0.00 23.12 19.38 2dyy s ALA 30 CO 0.02 -1.46 1.90 0.41 0.00 0.00 0.00 175.76 176.63 2dyy n GLY 31 N 0.67 1.67 3.96 0.00 0.00 -1.26 -4.71 105.19 105.52 2dyy n GLY 31 Ca 0.15 0.80 -0.22 0.00 0.00 0.00 0.00 46.02 46.74 2dyy n GLY 31 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2dyy s GLN 32 N 3.78 3.46 0.09 1.61 -1.52 0.17 -4.85 119.66 122.39 2dyy s GLN 32 Ca 0.88 -0.61 0.03 0.00 -1.95 0.00 0.00 55.36 53.70 2dyy s GLN 32 Cb -0.53 -2.83 -0.04 0.00 -0.22 0.00 0.00 33.01 29.39 2dyy s GLN 32 CO 0.44 0.36 -0.08 0.96 -0.25 0.00 0.00 175.29 176.71 2dyy s ILE 33 N -2.05 0.78 -1.04 1.08 -4.36 -1.26 -2.30 121.20 112.06 2dyy s ILE 33 Ca 0.36 -1.63 -0.27 0.00 -0.26 0.00 0.00 60.65 58.86 2dyy s ILE 33 Cb -0.09 -1.32 -0.22 0.00 1.25 0.00 0.00 42.46 42.08 2dyy s ILE 33 CO 0.31 -0.63 2.17 -2.16 0.24 0.00 0.00 174.94 174.87 2dyy s PRO 34 N -2.89 1.17 -0.08 0.37 0.04 -1.26 -4.72 135.00 127.63 2dyy s PRO 34 Ca 0.04 -0.27 0.01 0.00 0.04 0.00 0.00 61.00 60.83 2dyy s PRO 34 Cb -0.02 -4.94 0.02 0.00 0.04 0.00 0.00 34.50 29.61 2dyy s PRO 34 CO -0.01 -5.43 -0.07 0.42 0.04 0.00 0.00 177.00 171.94 2dyy s ILE 35 N 17.01 0.87 -0.04 0.56 1.01 -1.26 -2.92 121.20 136.42 2dyy s ILE 35 Ca 0.84 -0.25 -0.30 0.00 0.00 0.00 0.00 60.65 60.94 2dyy s ILE 35 Cb -0.06 -0.87 -0.05 0.00 0.01 0.00 0.00 42.46 41.48 2dyy s ILE 35 CO 0.17 0.32 1.56 -0.62 0.00 0.00 0.00 174.94 176.37 2dyy s ASP 36 N 1.26 6.73 0.64 3.58 2.15 -0.69 -4.52 116.67 125.81 2dyy s ASP 36 Ca -0.04 2.17 0.38 0.00 0.43 0.00 0.00 52.55 55.49 2dyy s ASP 36 Cb -0.14 -2.54 2.13 0.00 -0.30 0.00 0.00 42.92 42.07 2dyy s ASP 36 CO -0.03 -0.86 2.29 1.55 -0.17 0.00 0.00 175.17 177.96 2dyy h PRO 37 N 8.91 0.00 0.00 4.34 0.13 -1.87 -0.37 132.00 143.14 2dyy h PRO 37 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 2dyy h PRO 37 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2dyy h PRO 37 CO 0.94 0.00 -0.00 0.87 -0.23 0.00 0.00 178.00 179.58 2dyy h LYS 38 N 0.00 0.00 0.00 0.86 6.56 -1.90 -3.43 116.57 118.66 2dyy h LYS 38 Ca 0.01 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.60 2dyy h LYS 38 Cb 0.07 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.73 2dyy h LYS 38 CO -0.00 0.00 -0.00 1.79 -2.06 0.00 0.00 179.45 179.18 2dyy h THR 39 N -0.75 0.00 0.00 -0.16 1.35 -1.95 -3.49 112.91 107.91 2dyy h THR 39 Ca 0.00 -0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 2dyy h THR 39 Cb 0.00 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.42 2dyy h THR 39 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 2dyy n GLY 40 N 1.50 1.81 3.57 5.82 0.00 -0.16 -5.03 105.19 112.71 2dyy n GLY 40 Ca -0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 2dyy n GLY 40 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2dyy s GLU 41 N 0.00 1.88 -0.07 1.61 0.41 -1.26 -4.85 118.70 116.42 2dyy s GLU 41 Ca 0.00 -1.96 -0.30 0.00 -0.41 0.00 0.00 54.97 52.30 2dyy s GLU 41 Cb 0.00 -1.71 -0.05 0.00 -1.78 0.00 0.00 34.13 30.59 2dyy s GLU 41 CO 0.00 0.10 1.48 0.42 -0.49 0.00 0.00 175.26 176.77 2dyy s ILE 42 N -2.62 3.78 -1.36 -1.63 1.01 -1.26 -1.71 121.20 117.41 2dyy s ILE 42 Ca 0.33 1.02 0.00 0.00 0.00 0.00 0.00 60.65 62.01 2dyy s ILE 42 Cb 0.04 -3.66 0.00 0.00 0.01 0.00 0.00 42.46 38.85 2dyy s ILE 42 CO 0.17 -0.06 0.00 0.55 0.00 0.00 0.00 174.94 175.60 2dyy n VAL 43 N 5.21 0.00 0.00 2.92 3.14 -1.15 -4.84 118.33 123.62 2dyy n VAL 43 Ca 0.15 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.53 2dyy n VAL 43 Cb 0.43 -0.31 0.00 0.00 -1.06 0.00 0.00 33.84 32.91 2dyy n VAL 43 CO 0.00 0.00 0.00 2.29 -6.46 0.00 0.00 176.83 172.66 2dyy n LYS 44 N -0.10 0.00 -1.22 1.45 0.00 -1.26 -4.91 118.16 112.12 2dyy n LYS 44 Ca 0.00 0.00 0.16 0.00 -0.00 0.00 0.00 58.31 58.47 2dyy n LYS 44 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 35.03 34.99 2dyy n LYS 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2dyy n GLY 45 N 0.00 -1.62 0.00 2.58 0.00 -1.26 -4.56 105.19 100.33 2dyy n GLY 45 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.07 2dyy n GLY 45 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2dyy n ASP 46 N -4.33 0.00 0.00 1.61 2.03 -1.26 -4.90 116.55 109.70 2dyy n ASP 46 Ca 0.01 0.01 0.00 0.00 0.52 0.00 0.00 54.79 55.32 2dyy n ASP 46 Cb 0.64 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.04 2dyy n ASP 46 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2dyy n ILE 47 N -0.10 0.00 0.20 5.18 0.13 -1.26 -4.74 119.36 118.77 2dyy n ILE 47 Ca 0.00 0.00 0.06 0.00 -1.10 0.00 0.00 62.75 61.71 2dyy n ILE 47 Cb 0.00 0.00 0.42 0.00 -0.84 0.00 0.00 39.64 39.22 2dyy n ILE 47 CO 0.00 0.00 0.00 0.11 2.80 0.00 0.00 176.55 179.46 2dyy h LYS 48 N 0.00 0.00 0.02 9.51 6.56 -1.96 0.72 116.57 131.41 2dyy h LYS 48 Ca 0.00 0.00 -0.21 0.00 -1.06 0.00 0.00 60.65 59.38 2dyy h LYS 48 Cb 0.00 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.65 2dyy h LYS 48 CO 0.00 0.33 -0.94 0.22 -2.06 0.00 0.00 179.45 177.00 2dyy h ASP 49 N 0.00 0.34 0.13 0.86 1.82 -1.90 -0.54 116.42 117.14 2dyy h ASP 49 Ca -0.00 -0.29 -0.29 0.00 -0.39 0.00 0.00 57.03 56.06 2dyy h ASP 49 Cb 0.72 -0.11 0.03 0.00 0.68 0.00 0.00 39.33 40.65 2dyy h ASP 49 CO 0.04 1.11 -1.20 1.56 -1.61 0.00 0.00 179.24 179.14 2dyy h GLN 50 N 0.13 0.62 0.35 0.28 4.20 -1.70 -0.74 115.11 118.25 2dyy h GLN 50 Ca -0.06 -0.79 -0.02 0.00 0.06 0.00 0.00 58.65 57.84 2dyy h GLN 50 Cb 1.58 0.25 0.00 0.00 0.30 0.00 0.00 27.48 29.62 2dyy h GLN 50 CO 0.15 1.35 -0.17 1.15 -0.67 0.00 0.00 178.83 180.64 2dyy h THR 51 N 0.29 0.67 -0.60 -0.54 2.02 -0.89 0.28 112.91 114.15 2dyy h THR 51 Ca -0.17 -0.17 0.12 0.00 0.77 0.00 0.00 66.41 66.96 2dyy h THR 51 Cb 1.86 0.76 -0.12 0.00 -1.74 0.00 0.00 68.15 68.91 2dyy h THR 51 CO 0.23 0.03 -0.19 -0.09 0.37 0.00 0.00 175.52 175.88 2dyy h ARG 52 N -0.56 -0.04 -0.05 6.66 9.65 -1.13 -0.07 114.38 128.84 2dyy h ARG 52 Ca -0.05 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.83 2dyy h ARG 52 Cb 0.42 0.01 -0.00 0.00 -1.39 0.00 0.00 29.97 29.00 2dyy h ARG 52 CO 0.08 -0.02 0.02 0.37 2.80 0.00 0.00 179.97 183.21 2dyy h GLN 53 N -0.04 0.07 -0.09 0.20 5.75 -0.78 -2.35 115.11 117.87 2dyy h GLN 53 Ca 0.28 -0.01 0.04 0.00 -0.15 0.00 0.00 58.65 58.81 2dyy h GLN 53 Cb 0.47 -0.01 -0.06 0.00 1.07 0.00 0.00 27.48 28.95 2dyy h GLN 53 CO -0.63 0.20 -0.28 0.28 -2.65 0.00 0.00 178.83 175.74 2dyy h VAL 54 N -0.08 0.36 -0.67 2.39 2.07 0.38 0.12 116.25 120.81 2dyy h VAL 54 Ca 0.02 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.65 2dyy h VAL 54 Cb 0.16 0.36 -0.08 0.00 -1.52 0.00 0.00 31.29 30.20 2dyy h VAL 54 CO -0.00 0.00 0.25 -0.07 0.02 0.00 0.00 177.57 177.77 2dyy h LEU 55 N -0.38 0.24 -0.58 2.57 3.38 -1.00 -0.49 115.31 119.05 2dyy h LEU 55 Ca 0.09 0.09 -0.05 0.00 0.09 0.00 0.00 57.88 58.10 2dyy h LEU 55 Cb 0.51 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 2dyy h LEU 55 CO -0.30 0.12 0.18 -0.33 0.09 0.00 0.00 178.44 178.19 2dyy h GLU 56 N 0.42 0.91 -0.75 1.13 4.39 -0.79 -0.37 114.58 119.52 2dyy h GLU 56 Ca 0.35 -0.20 0.09 0.00 0.34 0.00 0.00 59.36 59.94 2dyy h GLU 56 Cb 0.48 -0.13 -0.05 0.00 -0.10 0.00 0.00 28.75 28.95 2dyy h GLU 56 CO -0.35 0.82 0.49 -0.91 -1.16 0.00 0.00 179.01 177.90 2dyy h ASN 57 N 0.83 0.63 -0.16 1.42 2.35 0.70 -1.37 115.58 119.98 2dyy h ASN 57 Ca 0.19 0.01 -0.10 0.00 -0.55 0.00 0.00 56.30 55.85 2dyy h ASN 57 Cb 0.29 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.55 2dyy h ASN 57 CO -0.00 0.38 -0.31 0.40 -1.65 0.00 0.00 177.43 176.25 2dyy h ILE 58 N 0.70 1.35 -0.46 2.81 2.04 -0.52 -3.11 117.51 120.32 2dyy h ILE 58 Ca 0.34 -1.56 0.06 0.00 1.00 0.00 0.00 64.86 64.70 2dyy h ILE 58 Cb 0.41 1.97 -0.05 0.00 -0.74 0.00 0.00 36.82 38.40 2dyy h ILE 58 CO -0.12 0.47 0.17 0.50 0.00 0.00 0.00 178.15 179.17 2dyy h LYS 59 N 0.12 0.34 -0.47 2.37 3.64 -0.06 -0.64 116.57 121.87 2dyy h LYS 59 Ca 0.01 -0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.43 2dyy h LYS 59 Cb 0.90 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 32.59 2dyy h LYS 59 CO 0.07 0.23 0.16 0.00 -2.27 0.00 0.00 179.45 177.63 2dyy h ALA 60 N 1.30 0.56 -0.48 5.00 0.00 -1.34 -1.09 119.26 123.21 2dyy h ALA 60 Ca 0.22 0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.12 2dyy h ALA 60 Cb 0.21 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2dyy h ALA 60 CO -0.21 -0.24 0.00 0.82 0.00 0.00 0.00 179.25 179.62 2dyy h ILE 61 N 0.32 1.24 0.44 0.00 2.04 -1.36 -2.20 117.51 118.00 2dyy h ILE 61 Ca 0.22 -1.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.07 2dyy h ILE 61 Cb 0.24 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 2dyy h ILE 61 CO -0.24 0.35 -0.30 -0.07 0.00 0.00 0.00 178.15 177.90 2dyy h LEU 62 N 0.75 -0.75 -0.24 1.44 3.38 -0.31 -3.04 115.31 116.53 2dyy h LEU 62 Ca 0.15 0.05 0.06 0.00 0.09 0.00 0.00 57.88 58.22 2dyy h LEU 62 Cb 0.45 0.23 -0.06 0.00 0.09 0.00 0.00 40.66 41.37 2dyy h LEU 62 CO 0.02 -0.46 -0.14 -0.33 0.09 0.00 0.00 178.44 177.62 2dyy h GLU 63 N -0.72 -0.11 -1.29 1.13 5.08 -1.09 -0.79 114.58 116.79 2dyy h GLU 63 Ca -0.05 0.01 0.37 0.00 -1.00 0.00 0.00 59.36 58.70 2dyy h GLU 63 Cb 0.60 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.82 2dyy h GLU 63 CO 0.03 -0.08 1.02 0.00 -1.00 0.00 0.00 179.01 178.99 2dyy h ALA 64 N 1.06 3.19 -0.62 3.43 0.00 -1.28 0.90 119.26 125.94 2dyy h ALA 64 Ca 0.13 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2dyy h ALA 64 Cb 0.32 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2dyy h ALA 64 CO -0.31 -1.69 0.00 0.00 0.00 0.00 0.00 179.25 177.25 2dyy n ALA 65 N -2.68 2.32 -2.61 0.00 0.00 -0.61 -4.95 120.51 111.99 2dyy n ALA 65 Ca 0.28 -1.25 -0.07 0.00 0.00 0.00 0.00 53.44 52.41 2dyy n ALA 65 Cb 1.43 -0.78 0.02 0.00 0.00 0.00 0.00 19.45 20.11 2dyy n ALA 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dyy n GLY 66 N 1.33 0.42 3.32 0.00 0.00 0.31 -5.05 105.19 105.52 2dyy n GLY 66 Ca 0.21 -0.48 -0.31 0.00 0.00 0.00 0.00 46.02 45.44 2dyy n GLY 66 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2dyy s TYR 67 N -2.86 2.31 0.30 1.61 2.02 -0.40 -4.99 117.35 115.34 2dyy s TYR 67 Ca 0.12 -0.43 0.02 0.00 -0.37 0.00 0.00 57.07 56.41 2dyy s TYR 67 Cb -0.05 -1.45 0.06 0.00 -0.40 0.00 0.00 41.96 40.11 2dyy s TYR 67 CO 0.15 0.02 0.41 -1.13 -1.57 0.00 0.00 175.55 173.43 2dyy n SER 68 N 2.19 0.78 0.14 2.29 3.41 -1.26 -2.88 113.62 118.29 2dyy n SER 68 Ca -0.16 -1.61 0.07 0.00 -0.26 0.00 0.00 58.87 56.91 2dyy n SER 68 Cb 0.51 -0.24 0.05 0.00 -0.26 0.00 0.00 64.21 64.27 2dyy n SER 68 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2dyy h LEU 69 N 0.00 0.00 -0.63 1.04 3.38 -1.96 -3.25 115.31 113.90 2dyy h LEU 69 Ca -0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.83 2dyy h LEU 69 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 2dyy h LEU 69 CO 0.17 0.25 0.00 -0.46 0.09 0.00 0.00 178.44 178.49 2dyy n ASN 70 N -3.02 0.88 -0.07 -0.43 2.04 -1.26 -2.87 115.26 110.53 2dyy n ASN 70 Ca 0.00 -2.02 0.10 0.00 -0.44 0.00 0.00 54.58 52.22 2dyy n ASN 70 Cb 0.65 -0.15 -0.09 0.00 -2.53 0.00 0.00 39.78 37.66 2dyy n ASN 70 CO 0.00 0.00 0.00 0.47 -0.44 0.00 0.00 177.26 177.29 2dyy n ASP 71 N -0.07 1.13 -4.64 0.53 10.43 -1.23 -4.87 116.55 117.84 2dyy n ASP 71 Ca 0.05 -1.05 -0.43 0.00 2.57 0.00 0.00 54.79 55.93 2dyy n ASP 71 Cb 0.16 0.90 -0.02 0.00 1.84 0.00 0.00 41.12 43.99 2dyy n ASP 71 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 2dyy s VAL 72 N -2.92 3.96 -0.16 2.53 1.01 -1.14 -0.93 120.40 122.76 2dyy s VAL 72 Ca 0.10 1.11 0.16 0.00 0.00 0.00 0.00 61.98 63.35 2dyy s VAL 72 Cb 0.16 -3.92 -0.24 0.00 0.00 0.00 0.00 36.38 32.38 2dyy s VAL 72 CO 0.82 -0.32 0.23 2.30 0.00 0.00 0.00 175.10 178.13 2dyy n ILE 73 N 6.09 1.45 -3.84 2.22 -5.35 -0.81 -4.30 119.36 114.82 2dyy n ILE 73 Ca 0.16 -0.84 -0.12 0.00 -0.27 0.00 0.00 62.75 61.68 2dyy n ILE 73 Cb 0.45 -0.63 -0.13 0.00 -1.74 0.00 0.00 39.64 37.60 2dyy n ILE 73 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 2dyy s LYS 74 N -2.52 0.11 0.00 6.28 2.20 -1.18 -0.33 119.74 124.30 2dyy s LYS 74 Ca -0.09 0.14 0.01 0.00 -0.36 0.00 0.00 55.97 55.67 2dyy s LYS 74 Cb 0.07 0.05 -0.01 0.00 -1.51 0.00 0.00 37.83 36.43 2dyy s LYS 74 CO 0.83 -0.02 -0.04 0.08 -0.36 0.00 0.00 175.35 175.84 2dyy s VAL 75 N 0.07 0.31 -0.11 4.02 1.01 0.96 -1.04 120.40 125.61 2dyy s VAL 75 Ca -0.00 -0.28 -0.00 0.00 0.00 0.00 0.00 61.98 61.69 2dyy s VAL 75 Cb -0.01 -0.29 0.02 0.00 0.00 0.00 0.00 36.38 36.11 2dyy s VAL 75 CO 0.00 0.01 -0.09 -0.89 0.00 0.00 0.00 175.10 174.13 2dyy s THR 76 N -0.28 1.10 -0.25 3.92 2.01 -0.07 -1.50 115.64 120.56 2dyy s THR 76 Ca -0.01 -0.34 -0.05 0.00 0.31 0.00 0.00 61.69 61.60 2dyy s THR 76 Cb -0.03 -1.10 -0.00 0.00 0.01 0.00 0.00 72.50 71.38 2dyy s THR 76 CO -0.00 0.38 0.02 -0.69 -0.69 0.00 0.00 174.62 173.64 2dyy s VAL 77 N 1.61 3.73 -0.33 3.82 1.01 -0.20 -1.61 120.40 128.42 2dyy s VAL 77 Ca 0.04 -0.53 -0.10 0.00 0.00 0.00 0.00 61.98 61.38 2dyy s VAL 77 Cb -0.13 -2.80 -0.00 0.00 0.00 0.00 0.00 36.38 33.45 2dyy s VAL 77 CO -0.08 0.28 0.17 -0.31 0.00 0.00 0.00 175.10 175.16 2dyy s TYR 78 N 1.50 3.19 0.19 5.22 1.51 -0.27 -2.34 117.35 126.35 2dyy s TYR 78 Ca 0.04 -0.61 0.05 0.00 -1.01 0.00 0.00 57.07 55.54 2dyy s TYR 78 Cb -0.16 -2.38 -0.04 0.00 -0.11 0.00 0.00 41.96 39.28 2dyy s TYR 78 CO -0.00 -0.48 0.22 -0.51 -1.11 0.00 0.00 175.55 173.67 2dyy s LEU 79 N 1.61 4.04 -0.21 -1.29 1.43 -0.17 -1.67 118.68 122.42 2dyy s LEU 79 Ca 0.04 -0.04 -0.18 0.00 -1.03 0.00 0.00 54.13 52.93 2dyy s LEU 79 Cb -0.17 -2.61 -0.15 0.00 0.03 0.00 0.00 46.19 43.29 2dyy s LEU 79 CO 0.07 0.02 0.02 1.17 0.23 0.00 0.00 176.35 177.86 2dyy n LYS 80 N -0.72 0.55 -1.22 1.70 4.81 -1.05 0.23 118.16 122.47 2dyy n LYS 80 Ca -0.08 0.49 -0.01 0.00 -0.87 0.00 0.00 58.31 57.84 2dyy n LYS 80 Cb 0.55 -1.68 0.01 0.00 0.02 0.00 0.00 35.03 33.94 2dyy n LYS 80 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2dyy n ASP 81 N -4.43 -0.28 0.00 3.14 4.64 -1.26 -4.41 116.55 113.95 2dyy n ASP 81 Ca -0.32 -0.89 0.00 0.00 -1.38 0.00 0.00 54.79 52.21 2dyy n ASP 81 Cb 0.65 0.11 0.00 0.00 -1.04 0.00 0.00 41.12 40.84 2dyy n ASP 81 CO 0.00 0.00 0.00 0.52 -0.82 0.00 0.00 177.20 176.90 2dyy n VAL 91 N -0.19 0.00 -0.03 5.18 0.31 -1.26 -5.17 118.33 117.17 2dyy n VAL 91 Ca -0.05 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.19 2dyy n VAL 91 Cb 0.47 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.37 2dyy n VAL 91 CO 0.00 0.00 0.00 1.88 -1.32 0.00 0.00 176.83 177.39 2dyy h TYR 92 N 0.00 -0.02 -0.85 3.52 0.05 -1.99 -2.24 116.97 115.43 2dyy h TYR 92 Ca 0.00 0.01 0.24 0.00 0.05 0.00 0.00 58.73 59.03 2dyy h TYR 92 Cb 0.00 0.04 -0.04 0.00 1.01 0.00 0.00 36.73 37.74 2dyy h TYR 92 CO 0.00 -0.03 0.60 0.00 -1.05 0.00 0.00 178.16 177.68 2dyy h ALA 93 N 1.15 2.69 -0.79 3.88 0.00 -2.00 -1.35 119.26 122.85 2dyy h ALA 93 Ca 0.08 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.03 2dyy h ALA 93 Cb 0.10 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.88 2dyy h ALA 93 CO -0.14 -0.94 0.48 0.93 0.00 0.00 0.00 179.25 179.57 2dyy h GLU 94 N 0.07 0.85 0.00 0.00 5.08 -1.84 0.30 114.58 119.05 2dyy h GLU 94 Ca 0.41 -0.05 -0.19 0.00 -1.00 0.00 0.00 59.36 58.53 2dyy h GLU 94 Cb 1.53 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 30.56 2dyy h GLU 94 CO -0.04 0.56 -1.57 0.66 -1.00 0.00 0.00 179.01 177.63 2dyy n TYR 95 N -4.68 0.85 -0.47 4.33 4.02 -0.55 -4.30 117.16 116.36 2dyy n TYR 95 Ca 0.11 0.29 0.06 0.00 -0.01 0.00 0.00 57.90 58.34 2dyy n TYR 95 Cb 0.17 -1.06 0.16 0.00 -0.02 0.00 0.00 39.34 38.58 2dyy n TYR 95 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 2dyy n PHE 96 N -2.86 0.48 -0.24 -0.72 3.72 -0.96 -4.78 117.46 112.10 2dyy n PHE 96 Ca -0.12 -0.66 -0.13 0.00 -0.05 0.00 0.00 57.45 56.49 2dyy n PHE 96 Cb 0.88 -0.13 -0.10 0.00 -0.94 0.00 0.00 39.48 39.19 2dyy n PHE 96 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 2dyy h GLY 97 N 1.43 -0.94 -0.85 1.37 0.00 -0.58 0.19 103.07 103.69 2dyy h GLY 97 Ca 0.00 0.75 0.00 0.00 0.00 0.00 0.00 47.33 48.08 2dyy h GLY 97 CO 0.07 -0.06 0.00 1.18 0.00 0.00 0.00 176.54 177.73 2dyy n GLU 98 N -5.33 1.76 -0.14 4.80 1.02 -1.26 -4.20 120.64 117.29 2dyy n GLU 98 Ca -0.02 -1.14 -0.26 0.00 -0.02 0.00 0.00 57.16 55.73 2dyy n GLU 98 Cb 0.31 -1.41 -0.11 0.00 -0.02 0.00 0.00 31.44 30.22 2dyy n GLU 98 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2dyy n SER 99 N 0.36 1.97 -3.79 1.62 2.88 -0.22 -4.90 113.62 111.54 2dyy n SER 99 Ca 0.17 0.17 -0.27 0.00 -1.33 0.00 0.00 58.87 57.61 2dyy n SER 99 Cb 0.35 -0.67 0.00 0.00 -0.75 0.00 0.00 64.21 63.14 2dyy n SER 99 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2dyy n LYS 100 N -3.89 -1.30 -1.94 -1.46 4.76 0.50 -4.93 118.16 109.90 2dyy n LYS 100 Ca -0.52 0.69 -0.29 0.00 -2.87 0.00 0.00 58.31 55.32 2dyy n LYS 100 Cb 0.93 -2.63 0.07 0.00 -1.84 0.00 0.00 35.03 31.56 2dyy n LYS 100 CO 0.00 0.00 0.00 -2.14 -1.37 0.00 0.00 177.40 173.89 2dyy s PRO 101 N -5.25 2.28 0.13 1.97 0.02 -1.26 -5.01 135.00 127.87 2dyy s PRO 101 Ca 0.10 0.18 -0.31 0.00 0.02 0.00 0.00 61.00 60.99 2dyy s PRO 101 Cb -0.05 -2.00 -0.07 0.00 0.02 0.00 0.00 34.50 32.40 2dyy s PRO 101 CO 0.90 -1.37 1.28 0.00 -0.33 0.00 0.00 177.00 177.47 2dyy s ALA 102 N -3.47 3.49 0.10 -1.55 0.00 0.55 -4.86 121.76 116.03 2dyy s ALA 102 Ca 0.60 1.00 0.10 0.00 0.00 0.00 0.00 51.96 53.67 2dyy s ALA 102 Cb -0.11 -3.48 -0.04 0.00 0.00 0.00 0.00 23.12 19.50 2dyy s ALA 102 CO 0.49 -0.50 -0.26 0.50 0.00 0.00 0.00 175.76 175.99 2dyy s ARG 103 N 0.63 1.47 -0.02 0.00 3.52 -1.26 -0.02 118.95 123.27 2dyy s ARG 103 Ca 0.59 -1.26 0.01 0.00 -0.13 0.00 0.00 55.73 54.94 2dyy s ARG 103 Cb -0.34 -1.86 0.01 0.00 -1.56 0.00 0.00 34.95 31.20 2dyy s ARG 103 CO 0.32 0.45 -0.05 0.08 -0.81 0.00 0.00 175.30 175.30 2dyy s VAL 104 N -1.00 0.48 -0.02 7.11 1.01 -0.57 -4.97 120.40 122.44 2dyy s VAL 104 Ca 0.13 -0.17 0.00 0.00 0.00 0.00 0.00 61.98 61.93 2dyy s VAL 104 Cb -0.10 -0.46 0.03 0.00 0.00 0.00 0.00 36.38 35.85 2dyy s VAL 104 CO 0.05 0.17 0.02 0.00 0.00 0.00 0.00 175.10 175.34 2dyy s ALA 105 N 0.38 0.13 0.12 5.51 0.00 -1.26 -1.04 121.76 125.61 2dyy s ALA 105 Ca -0.05 0.25 -0.06 0.00 0.00 0.00 0.00 51.96 52.11 2dyy s ALA 105 Cb -0.08 -0.25 -0.02 0.00 0.00 0.00 0.00 23.12 22.77 2dyy s ALA 105 CO -0.00 -0.09 0.16 0.14 0.00 0.00 0.00 175.76 175.96 2dyy s VAL 106 N 0.98 0.11 -0.16 0.00 -7.23 -0.99 -5.02 120.40 108.10 2dyy s VAL 106 Ca -0.09 -1.55 -0.06 0.00 -1.81 0.00 0.00 61.98 58.47 2dyy s VAL 106 Cb -0.12 -1.76 -0.04 0.00 0.56 0.00 0.00 36.38 35.03 2dyy s VAL 106 CO -0.02 -0.51 0.03 -1.61 -0.31 0.00 0.00 175.10 172.67 2dyy s GLU 107 N -3.96 3.73 0.49 4.82 2.02 -1.26 -0.99 118.70 123.54 2dyy s GLU 107 Ca 0.15 -0.39 0.04 0.00 0.02 0.00 0.00 54.97 54.80 2dyy s GLU 107 Cb 0.05 -3.07 -0.01 0.00 0.10 0.00 0.00 34.13 31.21 2dyy s GLU 107 CO -0.03 0.36 0.19 0.14 0.02 0.00 0.00 175.26 175.94 2dyy s VAL 108 N 0.11 1.66 0.03 2.63 -7.23 0.14 -4.93 120.40 112.81 2dyy s VAL 108 Ca 0.03 -1.74 -0.04 0.00 -1.81 0.00 0.00 61.98 58.42 2dyy s VAL 108 Cb -0.13 -2.40 -0.28 0.00 0.56 0.00 0.00 36.38 34.13 2dyy s VAL 108 CO 0.01 0.00 0.98 0.28 -0.31 0.00 0.00 175.10 176.06 2dyy h SER 109 N 1.17 0.43 -4.73 4.85 0.02 -1.85 -3.41 113.55 110.03 2dyy h SER 109 Ca -0.41 -0.52 -0.01 0.00 -0.84 0.00 0.00 61.79 60.01 2dyy h SER 109 Cb 1.29 -0.14 -0.20 0.00 0.14 0.00 0.00 62.40 63.50 2dyy h SER 109 CO 0.67 1.42 0.31 -0.13 -1.14 0.00 0.00 176.83 177.97 2dyy s ARG 110 N -2.63 0.93 0.36 3.45 0.52 -1.26 -5.00 118.95 115.32 2dyy s ARG 110 Ca -0.07 0.15 0.08 0.00 -0.52 0.00 0.00 55.73 55.38 2dyy s ARG 110 Cb 0.07 0.44 -0.07 0.00 0.52 0.00 0.00 34.95 35.90 2dyy s ARG 110 CO 0.87 -0.30 -0.05 -0.51 0.02 0.00 0.00 175.30 175.33 2dyy s LEU 111 N -1.32 2.75 0.67 2.53 1.43 -1.26 -5.06 118.68 118.41 2dyy s LEU 111 Ca -0.07 -1.27 -0.17 0.00 -1.03 0.00 0.00 54.13 51.59 2dyy s LEU 111 Cb -0.00 -0.92 -0.04 0.00 0.03 0.00 0.00 46.19 45.26 2dyy s LEU 111 CO 0.05 -0.32 0.75 -2.65 0.23 0.00 0.00 176.35 174.41 2dyy n PRO 112 N -0.84 0.52 -2.53 1.29 -0.02 -1.26 -1.97 135.00 130.19 2dyy n PRO 112 Ca -0.05 0.22 -0.05 0.00 -2.02 0.00 0.00 63.50 61.60 2dyy n PRO 112 Cb 0.65 -2.00 -0.00 0.00 -0.02 0.00 0.00 33.50 32.13 2dyy n PRO 112 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2dyy n LYS 113 N -1.01 -2.73 -4.09 -0.52 5.02 -1.26 -1.95 118.16 111.63 2dyy n LYS 113 Ca 0.12 0.20 -0.28 0.00 -2.02 0.00 0.00 58.31 56.32 2dyy n LYS 113 Cb 0.49 -4.74 -0.04 0.00 -0.02 0.00 0.00 35.03 30.72 2dyy n LYS 113 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2dyy n ASP 114 N -1.63 -0.45 -4.89 4.39 4.64 -0.83 -4.98 116.55 112.80 2dyy n ASP 114 Ca -0.04 -1.07 -0.25 0.00 -1.38 0.00 0.00 54.79 52.04 2dyy n ASP 114 Cb 0.53 -2.65 0.07 0.00 -1.04 0.00 0.00 41.12 38.03 2dyy n ASP 114 CO 0.00 0.00 0.00 0.68 -0.82 0.00 0.00 177.20 177.06 2dyy s VAL 115 N -3.95 2.29 -0.41 5.18 -7.23 -0.82 -4.95 120.40 110.50 2dyy s VAL 115 Ca 0.12 -0.31 0.23 0.00 -1.81 0.00 0.00 61.98 60.21 2dyy s VAL 115 Cb -0.07 -2.98 -0.06 0.00 0.56 0.00 0.00 36.38 33.84 2dyy s VAL 115 CO 0.92 0.00 1.04 0.18 -0.31 0.00 0.00 175.10 176.93 2dyy n LEU 116 N -2.90 0.67 -3.66 1.32 4.77 -1.26 -4.44 117.00 111.50 2dyy n LEU 116 Ca 0.09 0.17 -0.15 0.00 -0.03 0.00 0.00 56.01 56.09 2dyy n LEU 116 Cb 0.60 -0.09 -0.08 0.00 -2.33 0.00 0.00 43.42 41.53 2dyy n LEU 116 CO 0.51 -0.07 0.22 -0.51 -1.33 0.00 0.00 177.39 176.21 2dyy s ILE 117 N -3.29 0.02 -0.03 -0.08 2.07 -1.26 -2.51 121.20 116.11 2dyy s ILE 117 Ca 0.01 -0.15 -0.00 0.00 -1.41 0.00 0.00 60.65 59.10 2dyy s ILE 117 Cb 0.12 -0.78 0.03 0.00 0.13 0.00 0.00 42.46 41.96 2dyy s ILE 117 CO 0.79 -0.08 0.02 -0.70 -1.91 0.00 0.00 174.94 173.06 2dyy s GLU 118 N -0.68 0.17 -0.06 3.50 2.12 -0.67 -4.40 118.70 118.68 2dyy s GLU 118 Ca -0.08 0.16 0.05 0.00 0.36 0.00 0.00 54.97 55.46 2dyy s GLU 118 Cb -0.03 -0.46 -0.01 0.00 0.26 0.00 0.00 34.13 33.90 2dyy s GLU 118 CO 0.05 -0.19 -0.22 0.42 -0.54 0.00 0.00 175.26 174.77 2dyy s ILE 119 N 1.29 1.87 -0.01 -3.70 1.01 -0.97 -1.11 121.20 119.58 2dyy s ILE 119 Ca -0.06 -0.95 0.08 0.00 0.00 0.00 0.00 60.65 59.71 2dyy s ILE 119 Cb -0.13 -1.60 -0.02 0.00 0.01 0.00 0.00 42.46 40.72 2dyy s ILE 119 CO -0.03 0.52 -0.25 -1.83 0.00 0.00 0.00 174.94 173.36 2dyy s GLU 120 N 0.02 1.98 0.12 2.79 -1.05 -0.64 -0.66 118.70 121.26 2dyy s GLU 120 Ca -0.07 -0.91 0.02 0.00 -0.15 0.00 0.00 54.97 53.86 2dyy s GLU 120 Cb -0.14 -1.94 -0.04 0.00 -0.44 0.00 0.00 34.13 31.57 2dyy s GLU 120 CO 0.04 0.53 -0.05 0.00 0.95 0.00 0.00 175.26 176.74 2dyy s ALA 121 N -0.61 1.09 0.08 -0.84 0.00 -1.20 -0.89 121.76 119.39 2dyy s ALA 121 Ca 0.10 -1.42 0.04 0.00 0.00 0.00 0.00 51.96 50.68 2dyy s ALA 121 Cb -0.10 0.27 -0.03 0.00 0.00 0.00 0.00 23.12 23.27 2dyy s ALA 121 CO -0.01 -0.26 -0.12 0.42 0.00 0.00 0.00 175.76 175.80 2dyy s ILE 122 N -3.63 1.00 0.01 0.00 1.01 -0.21 -0.81 121.20 118.57 2dyy s ILE 122 Ca 0.15 -1.41 -0.15 0.00 0.00 0.00 0.00 60.65 59.25 2dyy s ILE 122 Cb 0.05 -1.13 0.02 0.00 0.01 0.00 0.00 42.46 41.42 2dyy s ILE 122 CO -0.02 -0.36 0.32 0.00 0.00 0.00 0.00 174.94 174.88 2dyy s ALA 123 N -1.71 -0.77 0.20 9.38 0.00 -0.14 -1.93 121.76 126.79 2dyy s ALA 123 Ca -0.00 0.22 0.11 0.00 0.00 0.00 0.00 51.96 52.29 2dyy s ALA 123 Cb -0.07 0.18 -0.04 0.00 0.00 0.00 0.00 23.12 23.18 2dyy s ALA 123 CO 0.01 -0.33 -0.19 -0.47 0.00 0.00 0.00 175.76 174.79 2dyy s TYR 124 N -1.83 2.40 -0.19 0.00 5.04 -0.11 0.24 117.35 122.91 2dyy s TYR 124 Ca -0.10 -0.31 -0.04 0.00 -2.44 0.00 0.00 57.07 54.18 2dyy s TYR 124 Cb -0.03 -1.17 0.09 0.00 0.35 0.00 0.00 41.96 41.20 2dyy s TYR 124 CO 0.01 0.53 0.24 0.21 -1.34 0.00 0.00 175.55 175.20 2dyy s LYS 125 N -2.81 0.19 0.00 4.97 2.20 -0.55 -4.69 119.74 119.05 2dyy s LYS 125 Ca 0.23 0.33 0.03 0.00 -0.36 0.00 0.00 55.97 56.20 2dyy s LYS 125 Cb -0.08 -0.93 0.20 0.00 -1.51 0.00 0.00 37.83 35.52 2dyy s LYS 125 CO 0.12 -0.59 0.68 0.39 -0.36 0.00 0.00 175.35 175.59