#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3drn s LYS 3 N 0.00 0.72 0.12 5.55 -2.85 -1.26 -5.06 119.74 116.96 3drn s LYS 3 Ca 0.00 -1.29 -0.34 0.00 -1.00 0.00 0.00 55.97 53.34 3drn s LYS 3 Cb 0.00 0.12 -0.14 0.00 -2.06 0.00 0.00 37.83 35.76 3drn s LYS 3 CO 0.00 -0.12 1.61 0.28 0.10 0.00 0.00 175.35 177.22 3drn n VAL 4 N 0.04 0.09 0.00 1.79 0.31 -1.26 -1.33 118.33 117.97 3drn n VAL 4 Ca -0.12 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 3drn n VAL 4 Cb 0.61 -1.55 0.00 0.00 -0.91 0.00 0.00 33.84 32.00 3drn n VAL 4 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3drn n GLY 5 N 3.52 2.04 3.80 2.92 0.00 0.46 -5.01 105.19 112.92 3drn n GLY 5 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 3drn n GLY 5 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3drn s ASP 6 N -0.61 4.85 0.21 1.61 1.01 -0.44 -4.70 116.67 118.60 3drn s ASP 6 Ca 0.00 1.57 -0.30 0.00 0.71 0.00 0.00 52.55 54.53 3drn s ASP 6 Cb 0.00 -2.36 -0.08 0.00 1.01 0.00 0.00 42.92 41.49 3drn s ASP 6 CO 0.00 -1.78 1.01 -0.54 0.21 0.00 0.00 175.17 174.07 3drn s LYS 7 N -5.04 4.73 0.09 8.23 -0.14 -1.26 -0.93 119.74 125.42 3drn s LYS 7 Ca 0.60 1.59 -0.31 0.00 -1.36 0.00 0.00 55.97 56.49 3drn s LYS 7 Cb -0.15 -3.28 -0.08 0.00 -1.68 0.00 0.00 37.83 32.64 3drn s LYS 7 CO 0.55 0.30 1.54 0.00 -0.76 0.00 0.00 175.35 176.98 3drn s ALA 8 N -0.73 3.67 0.24 5.17 0.00 -0.10 -4.83 121.76 125.18 3drn s ALA 8 Ca 0.45 1.17 -0.31 0.00 0.00 0.00 0.00 51.96 53.27 3drn s ALA 8 Cb -0.27 -3.63 -0.12 0.00 0.00 0.00 0.00 23.12 19.10 3drn s ALA 8 CO 0.34 -0.89 1.68 -2.30 0.00 0.00 0.00 175.76 174.58 3drn n PRO 9 N 4.83 2.77 -2.95 0.00 -0.02 -1.26 -4.97 135.00 133.41 3drn n PRO 9 Ca 0.14 0.99 -0.33 0.00 -2.02 0.00 0.00 63.50 62.28 3drn n PRO 9 Cb 0.41 -2.82 -0.07 0.00 -0.02 0.00 0.00 33.50 31.00 3drn n PRO 9 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3drn s LEU 10 N 0.49 4.01 0.24 2.45 1.43 -1.26 -5.02 118.68 121.03 3drn s LEU 10 Ca 0.70 1.53 -0.20 0.00 -1.03 0.00 0.00 54.13 55.14 3drn s LEU 10 Cb -0.50 -4.32 0.03 0.00 0.03 0.00 0.00 46.19 41.43 3drn s LEU 10 CO 0.39 -0.28 0.65 0.72 0.23 0.00 0.00 176.35 178.05 3drn s PHE 11 N -2.07 -0.20 -0.01 0.29 -0.12 -1.26 -5.03 117.98 109.59 3drn s PHE 11 Ca 0.58 -0.19 0.03 0.00 -0.05 0.00 0.00 56.93 57.29 3drn s PHE 11 Cb -0.10 0.59 -0.00 0.00 -0.63 0.00 0.00 43.02 42.88 3drn s PHE 11 CO 0.15 -1.10 -0.08 -1.21 -0.05 0.00 0.00 175.22 172.93 3drn s GLU 12 N -3.89 0.74 0.12 1.99 2.02 -1.26 -1.79 118.70 116.62 3drn s GLU 12 Ca 0.10 -0.29 -0.01 0.00 0.02 0.00 0.00 54.97 54.78 3drn s GLU 12 Cb -0.04 -0.71 0.01 0.00 0.10 0.00 0.00 34.13 33.49 3drn s GLU 12 CO 0.02 0.16 0.18 0.41 0.02 0.00 0.00 175.26 176.05 3drn n GLY 13 N 2.99 2.57 3.51 -1.39 0.00 0.19 -4.96 105.19 108.11 3drn n GLY 13 Ca -0.15 -1.39 -0.35 0.00 0.00 0.00 0.00 46.02 44.13 3drn n GLY 13 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3drn s ILE 14 N -2.59 4.39 0.64 -0.61 -1.09 -1.26 0.20 121.20 120.89 3drn s ILE 14 Ca 0.09 -0.16 -0.08 0.00 -2.23 0.00 0.00 60.65 58.27 3drn s ILE 14 Cb -0.01 -3.01 0.01 0.00 -1.58 0.00 0.00 42.46 37.88 3drn s ILE 14 CO 0.06 0.40 0.98 0.00 -1.23 0.00 0.00 174.94 175.16 3drn s ALA 15 N 1.00 3.13 0.66 9.38 0.00 0.98 -1.28 121.76 135.62 3drn s ALA 15 Ca 0.03 -0.57 0.41 0.00 0.00 0.00 0.00 51.96 51.84 3drn s ALA 15 Cb -0.14 -2.77 2.27 0.00 0.00 0.00 0.00 23.12 22.48 3drn s ALA 15 CO 0.03 -0.96 2.32 0.38 0.00 0.00 0.00 175.76 177.52 3drn h ASP 16 N -0.39 0.00 -0.33 0.00 2.03 -1.30 -1.17 116.42 115.26 3drn h ASP 16 Ca -0.45 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.85 3drn h ASP 16 Cb 1.26 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.76 3drn h ASP 16 CO 0.62 0.00 0.00 -0.46 -1.03 0.00 0.00 179.24 178.37 3drn n ASN 17 N -3.20 2.57 0.00 4.15 6.94 -1.26 -4.72 115.26 119.74 3drn n ASN 17 Ca -0.03 -2.20 0.00 0.00 -0.02 0.00 0.00 54.58 52.33 3drn n ASN 17 Cb 0.10 -0.40 0.00 0.00 -2.36 0.00 0.00 39.78 37.13 3drn n ASN 17 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3drn n GLY 18 N 0.74 2.10 3.86 4.83 0.00 -0.44 -5.01 105.19 111.27 3drn n GLY 18 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 3drn n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3drn s GLU 19 N -0.00 3.88 0.35 1.61 0.41 -1.26 -4.81 118.70 118.88 3drn s GLU 19 Ca 0.00 0.48 -0.25 0.00 -0.41 0.00 0.00 54.97 54.79 3drn s GLU 19 Cb 0.00 -2.50 -0.10 0.00 -1.78 0.00 0.00 34.13 29.75 3drn s GLU 19 CO 0.00 0.17 0.97 0.21 -0.49 0.00 0.00 175.26 176.12 3drn s LYS 20 N -3.12 4.45 -0.04 1.61 2.20 -1.26 -0.02 119.74 123.56 3drn s LYS 20 Ca 0.51 1.34 0.04 0.00 -0.36 0.00 0.00 55.97 57.50 3drn s LYS 20 Cb -0.11 -2.66 -0.00 0.00 -1.51 0.00 0.00 37.83 33.55 3drn s LYS 20 CO 0.22 0.15 -0.15 -1.50 -0.36 0.00 0.00 175.35 173.70 3drn s ILE 21 N -1.71 1.27 -0.14 5.43 2.07 0.13 -4.81 121.20 123.44 3drn s ILE 21 Ca 0.53 -0.63 0.02 0.00 -1.41 0.00 0.00 60.65 59.16 3drn s ILE 21 Cb -0.18 -1.10 0.01 0.00 0.13 0.00 0.00 42.46 41.33 3drn s ILE 21 CO 0.23 0.37 -0.19 -0.44 -1.91 0.00 0.00 174.94 173.00 3drn s SER 22 N 0.08 2.93 0.37 4.50 0.01 -1.26 -0.64 113.70 119.70 3drn s SER 22 Ca -0.04 -0.57 0.12 0.00 1.31 0.00 0.00 55.95 56.78 3drn s SER 22 Cb -0.11 -1.35 0.92 0.00 0.21 0.00 0.00 66.02 65.68 3drn s SER 22 CO 0.02 0.03 1.82 0.25 0.41 0.00 0.00 173.24 175.77 3drn h LEU 23 N 7.59 0.59 -2.31 2.44 5.85 -1.75 0.20 115.31 127.91 3drn h LEU 23 Ca -0.36 0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.46 3drn h LEU 23 Cb 1.17 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.15 3drn h LEU 23 CO 0.56 0.23 0.17 0.77 -0.34 0.00 0.00 178.44 179.83 3drn h SER 24 N 0.59 0.00 0.51 1.25 4.64 -1.94 -0.03 113.55 118.56 3drn h SER 24 Ca 0.51 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.81 3drn h SER 24 Cb 1.02 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.11 3drn h SER 24 CO -0.26 0.00 -0.10 0.44 -0.87 0.00 0.00 176.83 176.04 3drn h ASP 25 N 0.00 0.00 0.00 4.97 3.32 -1.00 -3.16 116.42 120.54 3drn h ASP 25 Ca 0.06 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.01 3drn h ASP 25 Cb 0.40 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.93 3drn h ASP 25 CO -0.00 0.10 -1.81 -1.22 -1.72 0.00 0.00 179.24 174.59 3drn n TYR 26 N -3.43 0.00 -1.67 4.55 4.02 -0.08 -4.82 117.16 115.73 3drn n TYR 26 Ca -0.01 0.00 -0.44 0.00 -0.01 0.00 0.00 57.90 57.44 3drn n TYR 26 Cb 0.25 -0.49 -0.04 0.00 -0.02 0.00 0.00 39.34 39.05 3drn n TYR 26 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96 3drn n ILE 27 N -2.23 0.60 0.00 -0.72 2.08 -0.87 -1.32 119.36 116.90 3drn n ILE 27 Ca -0.11 -0.11 0.00 0.00 0.56 0.00 0.00 62.75 63.09 3drn n ILE 27 Cb 0.62 -2.12 0.00 0.00 -0.75 0.00 0.00 39.64 37.40 3drn n ILE 27 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3drn n GLY 28 N 4.40 3.05 0.12 7.39 0.00 -1.20 -4.84 105.19 114.12 3drn n GLY 28 Ca 0.20 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.04 3drn n GLY 28 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3drn h LYS 29 N 0.74 0.24 -3.68 1.61 1.57 -1.49 -3.47 116.57 112.09 3drn h LYS 29 Ca 0.00 -0.41 -0.07 0.00 -1.87 0.00 0.00 60.65 58.30 3drn h LYS 29 Cb 0.00 0.15 -0.12 0.00 0.08 0.00 0.00 32.23 32.34 3drn h LYS 29 CO 0.00 1.08 -0.21 -1.01 -0.57 0.00 0.00 179.45 178.74 3drn s HIS 30 N -2.59 0.18 0.61 -1.35 3.76 -1.03 -5.04 115.29 109.83 3drn s HIS 30 Ca -0.14 -0.54 -0.15 0.00 -0.15 0.00 0.00 55.06 54.08 3drn s HIS 30 Cb 0.07 0.09 -0.03 0.00 1.11 0.00 0.00 32.58 33.82 3drn s HIS 30 CO 0.82 -0.75 1.06 -0.80 -0.85 0.00 0.00 174.74 174.22 3drn s ASN 31 N -2.92 5.70 -0.02 1.40 0.01 -0.32 -4.49 114.94 114.31 3drn s ASN 31 Ca 0.12 1.82 0.03 0.00 -0.71 0.00 0.00 52.86 54.12 3drn s ASN 31 Cb 0.02 -2.53 -0.01 0.00 0.41 0.00 0.00 41.25 39.14 3drn s ASN 31 CO -0.03 -1.22 -0.12 -0.63 -1.51 0.00 0.00 177.10 173.59 3drn s ILE 32 N -2.49 0.94 -0.28 0.60 1.01 0.74 -0.95 121.20 120.77 3drn s ILE 32 Ca 0.63 -0.49 0.01 0.00 0.00 0.00 0.00 60.65 60.80 3drn s ILE 32 Cb -0.16 -0.80 0.05 0.00 0.01 0.00 0.00 42.46 41.56 3drn s ILE 32 CO 0.39 0.27 -0.06 -0.69 0.00 0.00 0.00 174.94 174.85 3drn s VAL 33 N -0.12 2.58 -0.33 2.92 1.01 -0.74 0.54 120.40 126.25 3drn s VAL 33 Ca 0.02 -1.51 -0.07 0.00 0.00 0.00 0.00 61.98 60.42 3drn s VAL 33 Cb -0.06 -2.50 0.03 0.00 0.00 0.00 0.00 36.38 33.85 3drn s VAL 33 CO 0.00 -0.06 0.11 -0.22 0.00 0.00 0.00 175.10 174.92 3drn s LEU 34 N 1.18 4.24 -0.09 3.92 2.96 0.42 -1.15 118.68 130.17 3drn s LEU 34 Ca -0.07 -1.04 0.04 0.00 -0.22 0.00 0.00 54.13 52.84 3drn s LEU 34 Cb -0.20 -1.88 -0.00 0.00 0.50 0.00 0.00 46.19 44.61 3drn s LEU 34 CO -0.03 -0.30 -0.23 -0.72 -1.32 0.00 0.00 176.35 173.74 3drn s TYR 35 N 1.43 2.55 -0.12 5.38 -0.85 -0.43 -0.46 117.35 124.86 3drn s TYR 35 Ca -0.01 -0.94 -0.09 0.00 -0.52 0.00 0.00 57.07 55.52 3drn s TYR 35 Cb -0.19 -1.69 -0.04 0.00 0.38 0.00 0.00 41.96 40.41 3drn s TYR 35 CO 0.03 -0.35 0.18 -0.06 -1.52 0.00 0.00 175.55 173.83 3drn s PHE 36 N 0.21 3.59 0.03 -3.49 0.40 0.22 -0.88 117.98 118.06 3drn s PHE 36 Ca -0.15 0.57 0.00 0.00 -0.60 0.00 0.00 56.93 56.76 3drn s PHE 36 Cb -0.17 -2.03 -0.02 0.00 0.51 0.00 0.00 43.02 41.30 3drn s PHE 36 CO 0.07 0.64 -0.04 1.52 0.70 0.00 0.00 175.22 178.12 3drn s TYR 37 N -0.78 0.36 0.08 0.36 -0.85 -0.68 -2.40 117.35 113.44 3drn s TYR 37 Ca 0.15 -0.59 -0.35 0.00 -0.52 0.00 0.00 57.07 55.76 3drn s TYR 37 Cb -0.13 -0.25 -0.17 0.00 0.38 0.00 0.00 41.96 41.79 3drn s TYR 37 CO 0.04 -0.19 1.55 -1.35 -1.52 0.00 0.00 175.55 174.08 3drn h PRO 38 N 4.43 -1.00 -2.51 -3.49 0.11 -1.81 -3.39 132.00 124.33 3drn h PRO 38 Ca -0.33 0.07 -0.09 0.00 0.11 0.00 0.00 66.00 65.76 3drn h PRO 38 Cb 1.20 0.23 -0.21 0.00 0.11 0.00 0.00 31.00 32.32 3drn h PRO 38 CO 0.44 -0.67 -0.08 0.21 -0.21 0.00 0.00 178.00 177.69 3drn s LYS 39 N -5.80 0.72 0.70 1.05 2.20 -1.26 -4.38 119.74 112.97 3drn s LYS 39 Ca -0.18 0.39 -0.16 0.00 -0.36 0.00 0.00 55.97 55.66 3drn s LYS 39 Cb 0.04 0.34 0.00 0.00 -1.51 0.00 0.00 37.83 36.70 3drn s LYS 39 CO 0.59 -0.16 1.04 -0.25 -0.36 0.00 0.00 175.35 176.21 3drn n ASP 40 N 2.00 0.85 -4.23 1.43 8.00 -1.26 -3.71 116.55 119.62 3drn n ASP 40 Ca -0.17 0.71 -0.35 0.00 0.71 0.00 0.00 54.79 55.69 3drn n ASP 40 Cb 0.56 -1.44 -0.04 0.00 -0.02 0.00 0.00 41.12 40.18 3drn n ASP 40 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3drn n ASP 41 N -1.71 -2.13 -4.59 -2.24 -0.08 -1.26 -4.98 116.55 99.55 3drn n ASP 41 Ca 0.14 -1.07 -0.25 0.00 -1.51 0.00 0.00 54.79 52.09 3drn n ASP 41 Cb 0.49 -2.52 -0.09 0.00 2.34 0.00 0.00 41.12 41.34 3drn n ASP 41 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 3drn s THR 42 N -3.51 3.26 0.19 5.18 -4.23 -1.24 -4.95 115.64 110.33 3drn s THR 42 Ca 0.55 -1.78 -0.20 0.00 -1.18 0.00 0.00 61.69 59.08 3drn s THR 42 Cb -0.31 -2.66 0.13 0.00 1.34 0.00 0.00 72.50 71.00 3drn s THR 42 CO 0.94 -0.22 1.59 -0.65 -0.54 0.00 0.00 174.62 175.75 3drn h PRO 43 N 2.52 -0.15 -0.14 3.99 0.11 -1.93 0.16 132.00 136.56 3drn h PRO 43 Ca -0.45 0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.65 3drn h PRO 43 Cb 1.22 0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 3drn h PRO 43 CO 0.57 -0.10 0.05 0.78 -0.21 0.00 0.00 178.00 179.08 3drn h GLY 44 N -0.15 0.23 2.00 -0.55 0.00 -1.96 -2.20 103.07 100.43 3drn h GLY 44 Ca 0.24 -0.14 -0.02 0.00 0.00 0.00 0.00 47.33 47.41 3drn h GLY 44 CO -0.67 0.13 -0.11 1.76 0.00 0.00 0.00 176.54 177.65 3drn h SER 45 N 0.05 0.00 -0.16 0.19 0.02 -1.76 -2.08 113.55 109.80 3drn h SER 45 Ca 0.05 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.82 3drn h SER 45 Cb 0.21 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.76 3drn h SER 45 CO -0.00 0.11 -0.60 0.74 -1.14 0.00 0.00 176.83 175.94 3drn h THR 46 N 0.00 1.31 -0.74 -2.27 2.02 -0.58 -0.99 112.91 111.67 3drn h THR 46 Ca -0.00 -1.84 -0.06 0.00 0.77 0.00 0.00 66.41 65.28 3drn h THR 46 Cb 0.76 1.98 -0.03 0.00 -1.74 0.00 0.00 68.15 69.12 3drn h THR 46 CO 0.01 0.57 0.23 0.03 0.37 0.00 0.00 175.52 176.74 3drn h ARG 47 N 0.39 1.14 -0.16 6.66 3.08 -1.17 0.40 114.38 124.71 3drn h ARG 47 Ca -0.03 -0.24 -0.03 0.00 0.07 0.00 0.00 59.98 59.75 3drn h ARG 47 Cb 1.23 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 31.11 3drn h ARG 47 CO 0.13 0.97 -0.01 1.49 -1.07 0.00 0.00 179.97 181.48 3drn h GLU 48 N 1.10 0.29 -0.54 0.04 4.81 -1.32 -1.35 114.58 117.60 3drn h GLU 48 Ca 0.24 -0.10 -0.02 0.00 -0.13 0.00 0.00 59.36 59.35 3drn h GLU 48 Cb 0.31 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 3drn h GLU 48 CO -0.01 0.52 0.27 0.00 -0.73 0.00 0.00 179.01 179.06 3drn h ALA 49 N 0.76 0.70 -0.33 2.92 0.00 -1.01 -2.49 119.26 119.81 3drn h ALA 49 Ca 0.05 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 3drn h ALA 49 Cb 0.39 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3drn h ALA 49 CO 0.01 0.25 -0.02 0.77 0.00 0.00 0.00 179.25 180.26 3drn h SER 50 N 0.73 0.49 -0.63 0.00 0.02 -0.88 -0.75 113.55 112.53 3drn h SER 50 Ca 0.19 -0.10 -0.08 0.00 -0.84 0.00 0.00 61.79 60.95 3drn h SER 50 Cb 0.10 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.49 3drn h SER 50 CO -0.03 0.58 0.07 0.00 -1.14 0.00 0.00 176.83 176.31 3drn h ALA 51 N 1.48 0.85 -0.49 3.77 0.00 -0.90 0.14 119.26 124.11 3drn h ALA 51 Ca 0.10 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 3drn h ALA 51 Cb 0.36 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3drn h ALA 51 CO 0.01 0.64 -0.03 0.74 0.00 0.00 0.00 179.25 180.61 3drn h PHE 52 N 0.99 0.97 -0.11 0.00 0.04 -1.00 -2.82 116.94 115.01 3drn h PHE 52 Ca 0.19 -0.18 0.01 0.00 2.80 0.00 0.00 57.97 60.79 3drn h PHE 52 Cb 0.48 -0.25 -0.01 0.00 2.20 0.00 0.00 35.95 38.38 3drn h PHE 52 CO 0.04 0.92 0.04 -0.09 -0.60 0.00 0.00 178.31 178.62 3drn h ARG 53 N 0.74 0.10 0.00 1.51 2.43 -0.74 -2.70 114.38 115.72 3drn h ARG 53 Ca 0.13 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 3drn h ARG 53 Cb 0.56 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.09 3drn h ARG 53 CO 0.03 0.07 0.00 -0.44 -1.51 0.00 0.00 179.97 178.12 3drn h ASP 54 N 0.10 0.00 -0.52 -3.80 3.32 -0.65 -2.12 116.42 112.76 3drn h ASP 54 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 3drn h ASP 54 Cb 0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.56 3drn h ASP 54 CO -0.04 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.07 3drn n ASN 55 N -2.92 4.30 -0.10 6.45 4.13 -1.03 -4.69 115.26 121.39 3drn n ASN 55 Ca -0.01 -2.49 -0.06 0.00 1.68 0.00 0.00 54.58 53.70 3drn n ASN 55 Cb 0.16 -0.51 0.00 0.00 -1.54 0.00 0.00 39.78 37.89 3drn n ASN 55 CO 0.00 0.00 0.00 -0.25 0.28 0.00 0.00 177.26 177.29 3drn h TRP 56 N 3.26 -0.20 -0.58 3.10 -0.00 -1.22 -0.22 115.95 120.09 3drn h TRP 56 Ca 0.00 0.03 0.03 0.00 -0.00 0.00 0.00 58.89 58.96 3drn h TRP 56 Cb 1.34 0.14 -0.04 0.00 -0.00 0.00 0.00 29.16 30.60 3drn h TRP 56 CO 0.63 -0.16 0.34 -0.44 -0.00 0.00 0.00 178.44 178.81 3drn h ASP 57 N -0.01 0.54 -0.37 2.65 3.32 -1.84 -2.09 116.42 118.62 3drn h ASP 57 Ca 0.17 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.23 3drn h ASP 57 Cb 0.27 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 3drn h ASP 57 CO -0.37 0.37 0.23 0.25 -1.72 0.00 0.00 179.24 178.01 3drn h LEU 58 N 0.66 0.43 -2.74 1.55 5.85 -1.72 -1.99 115.31 117.35 3drn h LEU 58 Ca 0.24 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.93 3drn h LEU 58 Cb 0.06 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 40.98 3drn h LEU 58 CO -0.12 0.34 -0.00 -0.07 -0.34 0.00 0.00 178.44 178.25 3drn h LEU 59 N 0.49 0.00 -2.35 2.25 3.38 -0.56 -2.22 115.31 116.30 3drn h LEU 59 Ca 0.13 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.11 3drn h LEU 59 Cb -0.02 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 3drn h LEU 59 CO -0.03 0.00 0.04 0.11 0.09 0.00 0.00 178.44 178.65 3drn h LYS 60 N 0.00 0.00 -0.00 1.13 1.57 -0.70 -1.77 116.57 116.81 3drn h LYS 60 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3drn h LYS 60 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3drn h LYS 60 CO 0.00 0.00 -0.04 -0.25 -0.57 0.00 0.00 179.45 178.59 3drn n ASP 61 N -3.96 0.11 -0.99 0.86 8.00 -0.83 -3.91 116.55 115.82 3drn n ASP 61 Ca -0.02 -0.10 0.08 0.00 0.71 0.00 0.00 54.79 55.46 3drn n ASP 61 Cb 0.13 -0.26 0.27 0.00 -0.02 0.00 0.00 41.12 41.23 3drn n ASP 61 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3drn n TYR 62 N -1.27 1.03 -3.80 1.24 4.02 -0.66 -5.00 117.16 112.70 3drn n TYR 62 Ca 0.13 -0.82 -0.28 0.00 -0.01 0.00 0.00 57.90 56.92 3drn n TYR 62 Cb 0.27 -0.30 0.00 0.00 -0.02 0.00 0.00 39.34 39.29 3drn n TYR 62 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 3drn n ASP 63 N -0.24 -4.35 -4.11 7.72 2.03 -1.25 -4.69 116.55 111.66 3drn n ASP 63 Ca 0.21 -0.99 -0.11 0.00 0.52 0.00 0.00 54.79 54.42 3drn n ASP 63 Cb 0.88 -1.49 -0.11 0.00 -0.72 0.00 0.00 41.12 39.68 3drn n ASP 63 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3drn s VAL 64 N -3.07 0.54 -0.11 5.18 0.11 -1.26 -1.18 120.40 120.61 3drn s VAL 64 Ca 0.10 -1.54 0.03 0.00 -2.93 0.00 0.00 61.98 57.63 3drn s VAL 64 Cb -0.06 -1.18 -0.00 0.00 -1.53 0.00 0.00 36.38 33.61 3drn s VAL 64 CO 0.86 -0.69 -0.21 -0.69 -3.33 0.00 0.00 175.10 171.05 3drn s VAL 65 N -2.71 2.38 -0.21 2.04 1.01 -0.12 -4.90 120.40 117.89 3drn s VAL 65 Ca 0.01 -0.91 -0.09 0.00 0.00 0.00 0.00 61.98 61.00 3drn s VAL 65 Cb -0.01 -1.94 -0.04 0.00 0.00 0.00 0.00 36.38 34.39 3drn s VAL 65 CO -0.03 0.55 0.11 -0.69 0.00 0.00 0.00 175.10 175.03 3drn s VAL 66 N 0.33 5.01 -0.11 2.92 1.01 -1.26 -1.79 120.40 126.50 3drn s VAL 66 Ca -0.16 0.05 -0.00 0.00 0.00 0.00 0.00 61.98 61.87 3drn s VAL 66 Cb -0.17 -3.30 0.02 0.00 0.00 0.00 0.00 36.38 32.93 3drn s VAL 66 CO 0.08 0.40 -0.09 -0.63 0.00 0.00 0.00 175.10 174.86 3drn s ILE 67 N 0.79 1.12 0.13 2.22 1.01 -0.30 -2.98 121.20 123.18 3drn s ILE 67 Ca 0.06 -0.36 -0.02 0.00 0.00 0.00 0.00 60.65 60.33 3drn s ILE 67 Cb -0.13 -1.11 -0.05 0.00 0.01 0.00 0.00 42.46 41.19 3drn s ILE 67 CO 0.02 0.38 0.31 -0.83 0.00 0.00 0.00 174.94 174.82 3drn s GLY 68 N 1.57 2.09 -0.01 6.18 0.00 0.29 -1.31 107.32 116.13 3drn s GLY 68 Ca 0.03 -0.75 0.00 0.00 0.00 0.00 0.00 44.72 44.00 3drn s GLY 68 CO -0.07 -0.70 0.02 0.14 0.00 0.00 0.00 173.10 172.48 3drn s VAL 69 N -1.65 -0.02 0.24 1.40 1.01 -0.06 0.29 120.40 121.61 3drn s VAL 69 Ca 0.38 0.13 -0.18 0.00 0.00 0.00 0.00 61.98 62.31 3drn s VAL 69 Cb -0.12 -0.07 0.02 0.00 0.00 0.00 0.00 36.38 36.20 3drn s VAL 69 CO 0.27 0.06 0.59 -0.94 0.00 0.00 0.00 175.10 175.08 3drn s SER 70 N 0.67 -0.22 0.00 3.32 1.04 -1.12 -1.68 113.70 115.71 3drn s SER 70 Ca -0.06 -0.66 0.24 0.00 0.48 0.00 0.00 55.95 55.96 3drn s SER 70 Cb -0.08 0.64 1.19 0.00 0.10 0.00 0.00 66.02 67.87 3drn s SER 70 CO -0.02 -1.20 1.78 -1.20 0.98 0.00 0.00 173.24 173.59 3drn n SER 71 N -0.40 0.00 -4.77 7.02 7.64 -1.26 -0.62 113.62 121.22 3drn n SER 71 Ca -0.05 -0.02 -0.35 0.00 1.01 0.00 0.00 58.87 59.46 3drn n SER 71 Cb 0.61 -0.30 0.02 0.00 -1.01 0.00 0.00 64.21 63.53 3drn n SER 71 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 3drn s ASP 72 N -2.59 5.47 1.14 6.43 1.01 -1.26 -4.06 116.67 122.80 3drn s ASP 72 Ca 0.22 2.20 -0.19 0.00 0.71 0.00 0.00 52.55 55.49 3drn s ASP 72 Cb 0.16 -2.58 0.27 0.00 1.01 0.00 0.00 42.92 41.78 3drn s ASP 72 CO 0.37 -1.39 1.22 1.51 0.21 0.00 0.00 175.17 177.08 3drn s ASP 73 N -1.86 1.51 0.16 0.27 1.47 -1.26 -4.28 116.67 112.67 3drn s ASP 73 Ca 0.73 0.35 -0.15 0.00 1.18 0.00 0.00 52.55 54.65 3drn s ASP 73 Cb -0.25 -0.40 0.03 0.00 -0.34 0.00 0.00 42.92 41.97 3drn s ASP 73 CO 0.31 -3.73 1.80 0.40 0.68 0.00 0.00 175.17 174.62 3drn h ILE 74 N -2.32 1.14 -0.63 2.11 1.08 -1.93 -1.96 117.51 114.99 3drn h ILE 74 Ca -0.43 -0.30 -0.07 0.00 -0.39 0.00 0.00 64.86 63.67 3drn h ILE 74 Cb 1.25 0.51 -0.03 0.00 -3.07 0.00 0.00 36.82 35.49 3drn h ILE 74 CO 0.30 0.14 0.11 0.78 -0.69 0.00 0.00 178.15 178.78 3drn h ASN 75 N 0.61 0.98 -0.48 1.72 2.35 -1.93 0.62 115.58 119.44 3drn h ASN 75 Ca 0.16 -0.22 -0.02 0.00 -0.55 0.00 0.00 56.30 55.67 3drn h ASN 75 Cb -0.02 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.07 3drn h ASN 75 CO -0.03 0.97 0.21 -1.28 -1.65 0.00 0.00 177.43 175.65 3drn h SER 76 N 0.97 0.65 -0.46 5.81 0.87 -1.89 -1.64 113.55 117.86 3drn h SER 76 Ca 0.20 -0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 3drn h SER 76 Cb 0.41 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.18 3drn h SER 76 CO 0.01 0.62 0.30 0.45 -0.53 0.00 0.00 176.83 177.67 3drn h HIS 77 N 0.64 0.58 -0.54 2.24 3.86 -0.83 -1.71 115.15 119.39 3drn h HIS 77 Ca 0.16 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.39 3drn h HIS 77 Cb 0.16 -0.20 -0.03 0.00 1.06 0.00 0.00 27.41 28.40 3drn h HIS 77 CO -0.00 0.37 0.35 0.87 0.86 0.00 0.00 177.93 180.38 3drn h LYS 78 N 0.62 0.71 -0.29 2.45 1.57 -0.61 -0.97 116.57 120.05 3drn h LYS 78 Ca 0.17 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.89 3drn h LYS 78 Cb -0.06 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.08 3drn h LYS 78 CO -0.04 0.48 0.12 0.00 -0.57 0.00 0.00 179.45 179.45 3drn h ARG 79 N 0.73 0.44 -0.38 3.15 3.08 -1.10 -0.66 114.38 119.64 3drn h ARG 79 Ca 0.20 -0.08 0.02 0.00 0.07 0.00 0.00 59.98 60.20 3drn h ARG 79 Cb -0.07 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 29.87 3drn h ARG 79 CO -0.04 0.45 0.20 0.35 -1.07 0.00 0.00 179.97 179.85 3drn h PHE 80 N 0.33 0.37 -0.56 3.04 3.57 -1.16 0.17 116.94 122.70 3drn h PHE 80 Ca 0.10 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.58 3drn h PHE 80 Cb 0.17 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.77 3drn h PHE 80 CO -0.01 0.20 0.23 -0.22 -2.23 0.00 0.00 178.31 176.28 3drn h LYS 81 N 0.41 0.84 -0.12 1.11 3.64 -1.06 -2.35 116.57 119.03 3drn h LYS 81 Ca 0.16 -0.15 -0.05 0.00 -1.27 0.00 0.00 60.65 59.34 3drn h LYS 81 Cb 0.05 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 31.73 3drn h LYS 81 CO -0.10 0.72 -0.11 1.49 -2.27 0.00 0.00 179.45 179.18 3drn h GLU 82 N 0.77 0.29 -0.75 1.90 4.57 -0.81 0.20 114.58 120.74 3drn h GLU 82 Ca 0.19 -0.15 0.09 0.00 -1.18 0.00 0.00 59.36 58.31 3drn h GLU 82 Cb 0.19 0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 28.71 3drn h GLU 82 CO -0.02 0.68 0.40 -0.22 -1.18 0.00 0.00 179.01 178.68 3drn h LYS 83 N -0.09 0.67 -0.44 1.92 3.64 -0.59 -2.79 116.57 118.88 3drn h LYS 83 Ca 0.02 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3drn h LYS 83 Cb 0.62 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 3drn h LYS 83 CO 0.03 0.44 0.00 0.66 -2.27 0.00 0.00 179.45 178.31 3drn n TYR 84 N -4.81 0.58 -3.73 1.91 4.02 -0.89 -4.99 117.16 109.26 3drn n TYR 84 Ca 0.12 -0.47 -0.23 0.00 -0.01 0.00 0.00 57.90 57.31 3drn n TYR 84 Cb 0.26 -0.02 0.02 0.00 -0.02 0.00 0.00 39.34 39.59 3drn n TYR 84 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 3drn n LYS 85 N 0.86 -4.19 -2.67 -0.72 5.02 0.50 -4.92 118.16 112.04 3drn n LYS 85 Ca 0.15 0.57 -0.43 0.00 -2.02 0.00 0.00 58.31 56.59 3drn n LYS 85 Cb 0.48 -4.98 -0.02 0.00 -0.02 0.00 0.00 35.03 30.48 3drn n LYS 85 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3drn s LEU 86 N -6.67 4.19 0.00 -0.35 1.43 -0.05 -4.93 118.68 112.30 3drn s LEU 86 Ca 0.06 1.48 0.29 0.00 -1.03 0.00 0.00 54.13 54.92 3drn s LEU 86 Cb -0.02 -3.55 1.21 0.00 0.03 0.00 0.00 46.19 43.86 3drn s LEU 86 CO 0.83 -0.53 1.84 -0.81 0.23 0.00 0.00 176.35 177.91 3drn n PRO 87 N 5.51 0.98 -3.22 1.29 -0.04 -1.26 -4.85 135.00 133.41 3drn n PRO 87 Ca 0.10 -0.41 -0.19 0.00 -0.04 0.00 0.00 63.50 62.97 3drn n PRO 87 Cb 0.48 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 3drn n PRO 87 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3drn s PHE 88 N -2.30 2.57 0.33 0.54 -0.12 -1.26 -5.10 117.98 112.63 3drn s PHE 88 Ca 0.33 -0.48 -0.27 0.00 -0.05 0.00 0.00 56.93 56.46 3drn s PHE 88 Cb 0.20 -2.28 -0.09 0.00 -0.63 0.00 0.00 43.02 40.22 3drn s PHE 88 CO 0.43 -0.42 1.02 0.42 -0.05 0.00 0.00 175.22 176.63 3drn s ILE 89 N -2.44 3.83 -0.11 -4.49 1.01 -1.16 -4.96 121.20 112.88 3drn s ILE 89 Ca 0.53 1.60 0.01 0.00 0.00 0.00 0.00 60.65 62.79 3drn s ILE 89 Cb -0.07 -3.92 0.02 0.00 0.01 0.00 0.00 42.46 38.49 3drn s ILE 89 CO 0.32 0.20 -0.12 -0.76 0.00 0.00 0.00 174.94 174.58 3drn s LEU 90 N -1.98 1.53 -0.15 2.97 1.43 -1.26 -0.55 118.68 120.67 3drn s LEU 90 Ca 0.50 -0.38 -0.07 0.00 -1.03 0.00 0.00 54.13 53.15 3drn s LEU 90 Cb -0.24 -0.98 -0.04 0.00 0.03 0.00 0.00 46.19 44.95 3drn s LEU 90 CO 0.31 -0.04 0.10 -0.69 0.23 0.00 0.00 176.35 176.26 3drn s VAL 91 N 1.27 5.14 -0.13 -1.59 1.01 0.14 -0.85 120.40 125.39 3drn s VAL 91 Ca -0.02 0.08 -0.22 0.00 0.00 0.00 0.00 61.98 61.82 3drn s VAL 91 Cb -0.14 -3.28 -0.03 0.00 0.00 0.00 0.00 36.38 32.93 3drn s VAL 91 CO -0.05 0.53 0.66 -0.55 0.00 0.00 0.00 175.10 175.69 3drn s SER 92 N -0.27 6.84 -0.57 3.32 0.15 -0.41 -2.80 113.70 119.96 3drn s SER 92 Ca 0.10 1.01 0.06 0.00 0.70 0.00 0.00 55.95 57.82 3drn s SER 92 Cb -0.12 -2.38 0.33 0.00 -1.71 0.00 0.00 66.02 62.14 3drn s SER 92 CO 0.01 -0.18 0.90 -0.67 1.20 0.00 0.00 173.24 174.50 3drn n ASP 93 N 4.35 4.10 -0.35 5.45 2.03 0.20 -4.13 116.55 128.20 3drn n ASP 93 Ca -0.01 -3.60 0.03 0.00 0.52 0.00 0.00 54.79 51.73 3drn n ASP 93 Cb 0.51 -0.58 0.10 0.00 -0.72 0.00 0.00 41.12 40.43 3drn n ASP 93 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 3drn n PRO 94 N -0.05 -0.13 -0.16 -0.67 -0.02 -1.26 -0.96 135.00 131.76 3drn n PRO 94 Ca 0.30 1.48 0.09 0.00 -2.02 0.00 0.00 63.50 63.36 3drn n PRO 94 Cb 0.41 -2.21 0.27 0.00 -0.02 0.00 0.00 33.50 31.96 3drn n PRO 94 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3drn n ASP 95 N -5.50 2.25 -1.64 2.55 5.68 -1.26 -4.94 116.55 113.69 3drn n ASP 95 Ca 0.13 -1.88 -0.18 0.00 -0.50 0.00 0.00 54.79 52.37 3drn n ASP 95 Cb 0.44 -0.21 -0.07 0.00 -1.14 0.00 0.00 41.12 40.15 3drn n ASP 95 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3drn n LYS 96 N 0.71 -1.46 -0.03 0.11 5.02 -0.13 -4.87 118.16 117.51 3drn n LYS 96 Ca 0.16 1.02 -0.09 0.00 -2.02 0.00 0.00 58.31 57.37 3drn n LYS 96 Cb 0.39 -5.39 0.06 0.00 -0.02 0.00 0.00 35.03 30.08 3drn n LYS 96 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 3drn h LYS 97 N 0.00 0.66 -0.26 1.97 1.79 -1.92 -0.74 116.57 118.07 3drn h LYS 97 Ca -0.37 -0.36 -0.19 0.00 -2.18 0.00 0.00 60.65 57.55 3drn h LYS 97 Cb 1.17 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.84 3drn h LYS 97 CO 0.52 0.97 -0.58 0.82 -1.08 0.00 0.00 179.45 180.10 3drn h ILE 98 N 0.54 1.28 -0.75 1.86 2.04 -1.89 -1.75 117.51 118.84 3drn h ILE 98 Ca 0.04 -1.77 -0.01 0.00 1.00 0.00 0.00 64.86 64.11 3drn h ILE 98 Cb 0.98 1.69 -0.04 0.00 -0.74 0.00 0.00 36.82 38.71 3drn h ILE 98 CO 0.09 0.57 0.43 -0.09 0.00 0.00 0.00 178.15 179.16 3drn h ARG 99 N 0.63 1.03 -0.48 2.37 2.43 -1.90 -2.42 114.38 116.04 3drn h ARG 99 Ca 0.00 -0.11 -0.02 0.00 -0.81 0.00 0.00 59.98 59.04 3drn h ARG 99 Cb 1.19 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 30.51 3drn h ARG 99 CO 0.13 0.75 0.21 1.49 -1.51 0.00 0.00 179.97 181.03 3drn h GLU 100 N 1.03 0.70 -0.96 0.20 4.81 -0.98 0.21 114.58 119.58 3drn h GLU 100 Ca 0.27 -0.11 0.11 0.00 -0.13 0.00 0.00 59.36 59.50 3drn h GLU 100 Cb -0.00 -0.12 -0.08 0.00 0.63 0.00 0.00 28.75 29.18 3drn h GLU 100 CO -0.05 0.61 0.59 -0.07 -0.73 0.00 0.00 179.01 179.36 3drn h LEU 101 N 0.62 0.86 -2.02 1.64 3.38 -0.87 -1.44 115.31 117.48 3drn h LEU 101 Ca 0.16 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.18 3drn h LEU 101 Cb 0.16 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3drn h LEU 101 CO -0.02 0.47 0.00 -1.22 0.09 0.00 0.00 178.44 177.76 3drn n TYR 102 N -4.65 0.78 -3.06 1.13 4.02 -0.95 -4.84 117.16 109.58 3drn n TYR 102 Ca 0.18 -0.37 -0.22 0.00 -0.01 0.00 0.00 57.90 57.48 3drn n TYR 102 Cb 0.33 -0.03 0.02 0.00 -0.02 0.00 0.00 39.34 39.64 3drn n TYR 102 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3drn n GLY 103 N 1.26 -0.51 1.52 2.72 0.00 -0.54 -4.75 105.19 104.88 3drn n GLY 103 Ca 0.18 0.12 0.02 0.00 0.00 0.00 0.00 46.02 46.33 3drn n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3drn n ALA 104 N -3.47 3.88 0.21 4.61 0.00 0.64 -4.62 120.51 121.76 3drn n ALA 104 Ca -0.10 -2.34 0.05 0.00 0.00 0.00 0.00 53.44 51.05 3drn n ALA 104 Cb 0.61 -0.99 0.46 0.00 0.00 0.00 0.00 19.45 19.52 3drn n ALA 104 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3drn h LYS 105 N 2.47 0.00 0.00 0.00 1.57 -1.91 -2.77 116.57 115.94 3drn h LYS 105 Ca 0.12 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.90 3drn h LYS 105 Cb 1.90 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 34.20 3drn h LYS 105 CO 0.48 0.26 -0.01 0.41 -0.57 0.00 0.00 179.45 180.02 3drn n GLY 106 N -0.74 -1.74 1.64 3.86 0.00 -1.26 -3.89 105.19 103.07 3drn n GLY 106 Ca -0.02 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.71 3drn n GLY 106 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3drn n PHE 107 N -0.74 -0.43 0.65 1.61 3.01 -1.26 -4.84 117.46 115.46 3drn n PHE 107 Ca 0.00 0.08 0.11 0.00 1.01 0.00 0.00 57.45 58.64 3drn n PHE 107 Cb 0.01 0.33 -0.08 0.00 -0.01 0.00 0.00 39.48 39.73 3drn n PHE 107 CO 0.00 0.00 0.00 0.44 1.01 0.00 0.00 176.76 178.21 3drn n ILE 108 N -2.89 0.04 -3.53 4.37 -5.35 -1.26 -4.96 119.36 105.77 3drn n ILE 108 Ca 0.00 -0.18 -0.15 0.00 -0.27 0.00 0.00 62.75 62.15 3drn n ILE 108 Cb 0.14 0.54 -0.05 0.00 -1.74 0.00 0.00 39.64 38.52 3drn n ILE 108 CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 3drn s LEU 109 N -3.60 -0.54 0.32 7.28 2.96 -1.26 -5.13 118.68 118.71 3drn s LEU 109 Ca 0.03 0.53 -0.29 0.00 -0.22 0.00 0.00 54.13 54.18 3drn s LEU 109 Cb 0.15 2.30 -0.12 0.00 0.50 0.00 0.00 46.19 49.02 3drn s LEU 109 CO 0.86 -0.55 1.46 -2.65 -1.32 0.00 0.00 176.35 174.15 3drn n PRO 110 N 0.70 2.44 -2.05 0.98 -0.02 -1.26 -4.25 135.00 131.54 3drn n PRO 110 Ca -0.15 0.86 -0.41 0.00 -2.02 0.00 0.00 63.50 61.78 3drn n PRO 110 Cb 0.58 -2.56 -0.02 0.00 -0.02 0.00 0.00 33.50 31.48 3drn n PRO 110 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3drn s ALA 111 N -0.57 3.57 -0.83 3.55 0.00 -1.05 -4.46 121.76 121.98 3drn s ALA 111 Ca 0.60 1.30 -0.17 0.00 0.00 0.00 0.00 51.96 53.69 3drn s ALA 111 Cb -0.53 -3.53 0.17 0.00 0.00 0.00 0.00 23.12 19.22 3drn s ALA 111 CO 0.56 -0.71 0.89 0.50 0.00 0.00 0.00 175.76 177.01 3drn s ARG 112 N -0.93 3.51 -0.02 0.00 3.52 -1.26 -4.28 118.95 119.49 3drn s ARG 112 Ca 0.55 -2.00 0.03 0.00 -0.13 0.00 0.00 55.73 54.18 3drn s ARG 112 Cb -0.41 -4.59 -0.00 0.00 -1.56 0.00 0.00 34.95 28.39 3drn s ARG 112 CO 0.47 -1.52 -0.10 -1.50 -0.81 0.00 0.00 175.30 171.85 3drn s ILE 113 N 1.55 0.82 -0.08 4.11 2.07 -1.01 -1.99 121.20 126.67 3drn s ILE 113 Ca 0.22 -0.41 0.03 0.00 -1.41 0.00 0.00 60.65 59.08 3drn s ILE 113 Cb -0.10 -0.71 -0.02 0.00 0.13 0.00 0.00 42.46 41.75 3drn s ILE 113 CO -0.07 0.25 -0.15 -0.89 -1.91 0.00 0.00 174.94 172.17 3drn s THR 114 N 0.01 2.91 -0.05 4.00 2.01 0.28 -0.61 115.64 124.19 3drn s THR 114 Ca -0.00 -0.75 0.06 0.00 0.31 0.00 0.00 61.69 61.31 3drn s THR 114 Cb -0.07 -2.16 -0.02 0.00 0.01 0.00 0.00 72.50 70.27 3drn s THR 114 CO 0.00 0.57 -0.23 -0.36 -0.69 0.00 0.00 174.62 173.91 3drn s PHE 115 N -0.27 2.47 -0.20 4.92 0.08 0.39 -0.95 117.98 124.41 3drn s PHE 115 Ca 0.02 -0.57 -0.02 0.00 0.12 0.00 0.00 56.93 56.48 3drn s PHE 115 Cb -0.13 -1.59 0.00 0.00 -0.57 0.00 0.00 43.02 40.73 3drn s PHE 115 CO 0.03 -0.11 -0.10 0.08 -0.10 0.00 0.00 175.22 175.01 3drn s VAL 116 N -0.33 2.87 -0.11 -0.44 1.01 -0.35 -0.43 120.40 122.61 3drn s VAL 116 Ca 0.02 -0.67 -0.01 0.00 0.00 0.00 0.00 61.98 61.32 3drn s VAL 116 Cb -0.12 -2.27 -0.02 0.00 0.00 0.00 0.00 36.38 33.96 3drn s VAL 116 CO 0.02 0.47 -0.08 -0.63 0.00 0.00 0.00 175.10 174.88 3drn s ILE 117 N 1.38 3.51 0.68 2.22 1.01 0.19 -0.39 121.20 129.80 3drn s ILE 117 Ca 0.05 -0.52 -0.05 0.00 0.00 0.00 0.00 60.65 60.14 3drn s ILE 117 Cb -0.14 -2.48 0.14 0.00 0.01 0.00 0.00 42.46 40.00 3drn s ILE 117 CO -0.07 0.54 0.93 -0.90 0.00 0.00 0.00 174.94 175.45 3drn n ASP 118 N 3.06 0.79 0.00 3.58 5.68 -0.56 -0.19 116.55 128.91 3drn n ASP 118 Ca -0.18 -1.78 0.08 0.00 -0.50 0.00 0.00 54.79 52.42 3drn n ASP 118 Cb 0.53 -0.65 0.39 0.00 -1.14 0.00 0.00 41.12 40.25 3drn n ASP 118 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3drn n LYS 119 N -2.83 0.17 -0.25 0.11 5.02 -1.26 -1.01 118.16 118.12 3drn n LYS 119 Ca 0.14 0.16 0.11 0.00 -2.02 0.00 0.00 58.31 56.69 3drn n LYS 119 Cb 0.49 -1.50 0.27 0.00 -0.02 0.00 0.00 35.03 34.27 3drn n LYS 119 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3drn n LYS 120 N -1.34 2.39 -1.71 1.97 5.02 -1.26 -3.20 118.16 120.03 3drn n LYS 120 Ca 0.07 -2.14 -0.13 0.00 -2.02 0.00 0.00 58.31 54.09 3drn n LYS 120 Cb 0.14 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.63 3drn n LYS 120 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3drn n GLY 121 N 1.46 0.75 3.77 0.72 0.00 -0.18 -4.98 105.19 106.74 3drn n GLY 121 Ca 0.20 -0.41 -0.36 0.00 0.00 0.00 0.00 46.02 45.45 3drn n GLY 121 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3drn s ILE 122 N -2.53 5.03 -0.20 -0.61 -1.09 -1.25 -0.92 121.20 119.62 3drn s ILE 122 Ca 0.00 0.03 -0.29 0.00 -2.23 0.00 0.00 60.65 58.16 3drn s ILE 122 Cb 0.00 -3.19 -0.02 0.00 -1.58 0.00 0.00 42.46 37.67 3drn s ILE 122 CO 0.00 0.58 1.43 -0.63 -1.23 0.00 0.00 174.94 175.09 3drn s ILE 123 N -0.66 3.97 -0.08 2.92 1.01 -0.11 -1.50 121.20 126.77 3drn s ILE 123 Ca 0.12 1.14 0.20 0.00 0.00 0.00 0.00 60.65 62.11 3drn s ILE 123 Cb -0.12 -3.87 -0.31 0.00 0.01 0.00 0.00 42.46 38.17 3drn s ILE 123 CO 0.02 -0.25 0.46 0.54 0.00 0.00 0.00 174.94 175.71 3drn n ARG 124 N 7.16 0.60 -3.59 2.79 5.12 0.48 -0.40 116.66 128.82 3drn n ARG 124 Ca 0.16 -0.17 -0.16 0.00 -1.93 0.00 0.00 57.85 55.75 3drn n ARG 124 Cb 0.45 -1.47 -0.07 0.00 -1.16 0.00 0.00 32.46 30.21 3drn n ARG 124 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 3drn s HIS 125 N -3.36 -0.70 -0.06 -1.55 2.46 -1.17 -4.92 115.29 106.00 3drn s HIS 125 Ca -0.07 1.47 -0.00 0.00 0.47 0.00 0.00 55.06 56.93 3drn s HIS 125 Cb 0.13 0.32 0.03 0.00 -0.13 0.00 0.00 32.58 32.93 3drn s HIS 125 CO 0.83 -0.48 -0.01 0.42 -2.47 0.00 0.00 174.74 173.04 3drn s ILE 126 N -0.41 0.35 -0.21 0.89 1.01 -1.26 -1.21 121.20 120.36 3drn s ILE 126 Ca -0.06 0.08 0.01 0.00 0.00 0.00 0.00 60.65 60.68 3drn s ILE 126 Cb -0.03 -0.47 0.04 0.00 0.01 0.00 0.00 42.46 42.02 3drn s ILE 126 CO 0.05 0.23 -0.11 -0.47 0.00 0.00 0.00 174.94 174.64 3drn s TYR 127 N 1.55 2.54 -0.33 3.97 5.04 -0.12 -4.98 117.35 125.03 3drn s TYR 127 Ca -0.02 -1.69 -0.01 0.00 -2.44 0.00 0.00 57.07 52.91 3drn s TYR 127 Cb -0.13 -1.69 0.07 0.00 0.35 0.00 0.00 41.96 40.56 3drn s TYR 127 CO -0.03 -0.77 0.05 1.21 -1.34 0.00 0.00 175.55 174.67 3drn s ASN 128 N 1.35 4.94 -0.27 4.32 3.84 -1.26 -0.56 114.94 127.31 3drn s ASN 128 Ca -0.02 -1.54 -0.05 0.00 0.21 0.00 0.00 52.86 51.47 3drn s ASN 128 Cb -0.16 -1.72 0.15 0.00 -0.55 0.00 0.00 41.25 38.96 3drn s ASN 128 CO -0.08 -0.34 0.53 -0.55 -2.79 0.00 0.00 177.10 173.87 3drn s SER 129 N 1.35 -0.76 0.07 -4.21 0.15 -0.84 -5.02 113.70 104.44 3drn s SER 129 Ca -0.01 0.92 -0.16 0.00 0.70 0.00 0.00 55.95 57.40 3drn s SER 129 Cb -0.20 1.81 -0.16 0.00 -1.71 0.00 0.00 66.02 65.76 3drn s SER 129 CO -0.03 -0.25 1.28 -0.61 1.20 0.00 0.00 173.24 174.83 3drn h GLN 130 N 8.07 0.63 0.00 5.44 5.75 -1.98 -3.33 115.11 129.70 3drn h GLN 130 Ca -0.20 -0.49 0.00 0.00 -0.15 0.00 0.00 58.65 57.81 3drn h GLN 130 Cb 1.14 0.09 0.00 0.00 1.07 0.00 0.00 27.48 29.78 3drn h GLN 130 CO 0.20 1.11 0.00 -1.33 -2.65 0.00 0.00 178.83 176.16 3drn n MET 131 N -4.14 0.13 -3.02 1.69 0.00 -1.26 -4.20 117.12 106.32 3drn n MET 131 Ca -0.07 0.18 -0.29 0.00 0.00 0.00 0.00 57.70 57.53 3drn n MET 131 Cb 0.63 -1.68 -0.04 0.00 0.00 0.00 0.00 33.22 32.13 3drn n MET 131 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 3drn n ASN 132 N -1.91 4.63 -0.21 7.83 3.02 -1.25 -4.93 115.26 122.43 3drn n ASN 132 Ca 0.05 -3.63 -0.06 0.00 -0.03 0.00 0.00 54.58 50.91 3drn n ASN 132 Cb 0.33 -0.65 -0.00 0.00 -0.61 0.00 0.00 39.78 38.85 3drn n ASN 132 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 3drn h PRO 133 N 3.40 -0.17 0.00 3.52 0.11 -1.80 -1.17 132.00 135.89 3drn h PRO 133 Ca 0.18 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.30 3drn h PRO 133 Cb 0.52 0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.67 3drn h PRO 133 CO 0.87 -0.11 0.00 0.00 -0.21 0.00 0.00 178.00 178.55 3drn h ALA 134 N 0.91 1.00 0.00 -0.75 0.00 -1.88 -2.93 119.26 115.61 3drn h ALA 134 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3drn h ALA 134 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3drn h ALA 134 CO -0.70 0.00 0.00 -1.71 0.00 0.00 0.00 179.25 176.84 3drn n ASN 135 N -2.75 0.81 -0.30 0.00 4.05 -0.45 -3.68 115.26 112.95 3drn n ASN 135 Ca 0.01 0.60 -0.03 0.00 0.45 0.00 0.00 54.58 55.61 3drn n ASN 135 Cb 0.25 -0.81 0.12 0.00 1.23 0.00 0.00 39.78 40.57 3drn n ASN 135 CO 0.00 0.00 0.00 0.45 -3.05 0.00 0.00 177.26 174.66 3drn h HIS 136 N 0.00 1.16 -0.16 1.20 3.86 -1.54 -1.47 115.15 118.20 3drn h HIS 136 Ca 0.00 -0.03 -0.09 0.00 -1.16 0.00 0.00 60.37 59.09 3drn h HIS 136 Cb 0.66 -0.37 -0.01 0.00 1.06 0.00 0.00 27.41 28.75 3drn h HIS 136 CO 0.00 0.81 -0.31 -0.24 0.86 0.00 0.00 177.93 179.05 3drn h VAL 137 N 1.18 1.27 -0.45 2.45 3.04 -1.80 -1.07 116.25 120.88 3drn h VAL 137 Ca 0.30 -1.31 -0.11 0.00 -1.01 0.00 0.00 66.70 64.57 3drn h VAL 137 Cb 0.04 1.49 -0.01 0.00 -2.01 0.00 0.00 31.29 30.80 3drn h VAL 137 CO -0.05 0.40 -0.13 0.78 -1.01 0.00 0.00 177.57 177.56 3drn h ASN 138 N 0.28 0.90 -0.21 3.17 2.35 -1.54 -0.65 115.58 119.88 3drn h ASN 138 Ca 0.04 -0.37 -0.11 0.00 -0.55 0.00 0.00 56.30 55.31 3drn h ASN 138 Cb 0.69 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.80 3drn h ASN 138 CO 0.05 1.07 -0.22 -0.33 -1.65 0.00 0.00 177.43 176.35 3drn h GLU 139 N 0.73 0.67 -0.33 0.81 4.39 -1.04 -1.63 114.58 118.17 3drn h GLU 139 Ca 0.11 -0.26 -0.03 0.00 0.34 0.00 0.00 59.36 59.52 3drn h GLU 139 Cb 0.68 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.28 3drn h GLU 139 CO 0.05 0.84 0.08 0.00 -1.16 0.00 0.00 179.01 178.81 3drn h ALA 140 N 1.17 0.44 -0.44 3.43 0.00 -0.94 -2.39 119.26 120.54 3drn h ALA 140 Ca 0.09 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.85 3drn h ALA 140 Cb 0.69 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 3drn h ALA 140 CO 0.05 0.11 0.23 -0.07 0.00 0.00 0.00 179.25 179.57 3drn h LEU 141 N 0.38 0.33 -1.09 0.00 3.38 -0.87 0.11 115.31 117.56 3drn h LEU 141 Ca 0.10 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.12 3drn h LEU 141 Cb 0.30 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.96 3drn h LEU 141 CO 0.00 0.24 0.62 0.11 0.09 0.00 0.00 178.44 179.50 3drn h LYS 142 N 0.45 1.19 -0.33 1.13 1.57 -1.18 0.24 116.57 119.63 3drn h LYS 142 Ca 0.19 -0.07 -0.15 0.00 -1.87 0.00 0.00 60.65 58.75 3drn h LYS 142 Cb 0.08 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.12 3drn h LYS 142 CO -0.12 0.78 -0.39 0.00 -0.57 0.00 0.00 179.45 179.15 3drn h ALA 143 N 1.44 0.68 -0.06 3.86 0.00 -0.84 -1.45 119.26 122.89 3drn h ALA 143 Ca 0.36 -0.45 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 3drn h ALA 143 Cb -0.07 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3drn h ALA 143 CO -0.09 0.67 -0.43 -0.07 0.00 0.00 0.00 179.25 179.32 3drn h LEU 144 N 0.65 0.14 -0.24 0.00 3.38 -0.04 -1.64 115.31 117.56 3drn h LEU 144 Ca 0.05 -0.06 -0.21 0.00 0.09 0.00 0.00 57.88 57.76 3drn h LEU 144 Cb 0.95 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 41.67 3drn h LEU 144 CO 0.09 0.56 -0.70 0.11 0.09 0.00 0.00 178.44 178.59 3drn h LYS 145 N 0.12 0.77 -0.35 1.13 1.57 -0.31 -1.28 116.57 118.22 3drn h LYS 145 Ca 0.01 -0.58 -0.01 0.00 -1.87 0.00 0.00 60.65 58.20 3drn h LYS 145 Cb 0.81 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.21 3drn h LYS 145 CO 0.06 1.20 0.19 0.37 -0.57 0.00 0.00 179.45 180.69 3drn h GLN 146 N 0.55 0.48 -0.20 3.15 5.75 -1.04 -1.54 115.11 122.26 3drn h GLN 146 Ca -0.03 -0.06 -0.00 0.00 -0.15 0.00 0.00 58.65 58.41 3drn h GLN 146 Cb 1.31 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 29.76 3drn h GLN 146 CO 0.14 0.41 0.11 0.82 -2.65 0.00 0.00 178.83 177.66 3drn h ILE 147 N 0.43 1.11 -0.72 2.39 2.04 -1.25 -2.71 117.51 118.80 3drn h ILE 147 Ca 0.12 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.69 3drn h ILE 147 Cb 0.07 0.95 -0.04 0.00 -0.74 0.00 0.00 36.82 37.06 3drn h ILE 147 CO -0.02 0.10 0.45 0.50 0.00 0.00 0.00 178.15 179.19 3drn h LYS 148 N 0.21 0.96 0.00 2.37 3.64 -1.07 -1.66 116.57 121.03 3drn h LYS 148 Ca 0.07 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.33 3drn h LYS 148 Cb 0.07 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.68 3drn h LYS 148 CO -0.01 0.66 -0.21 0.93 -2.27 0.00 0.00 179.45 178.55 3drn h GLU 149 N 0.99 0.00 0.00 1.90 4.39 -1.01 -2.54 114.58 118.31 3drn h GLU 149 Ca 0.26 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.82 3drn h GLU 149 Cb -0.07 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.56 3drn h GLU 149 CO -0.05 0.21 -0.68 0.93 -1.16 0.00 0.00 179.01 178.26 3drn h GLU 150 N 0.00 0.00 -0.00 2.33 5.08 -1.01 -3.51 114.58 117.47 3drn h GLU 150 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3drn h GLU 150 Cb 0.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.63 3drn h GLU 150 CO 0.03 0.68 0.00 0.39 -1.00 0.00 0.00 179.01 179.10