#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fpk s ASP 3 N 0.00 4.30 0.21 0.00 -4.77 -1.26 -4.85 116.67 110.29 3fpk s ASP 3 Ca 0.00 2.20 0.02 0.00 -3.30 0.00 0.00 52.55 51.48 3fpk s ASP 3 Cb 0.00 -2.57 -0.05 0.00 -1.09 0.00 0.00 42.92 39.21 3fpk s ASP 3 CO 0.00 -2.19 0.01 -1.66 0.70 0.00 0.00 175.17 172.04 3fpk s TRP 4 N -2.23 1.40 0.24 2.11 1.48 -1.26 -1.75 118.94 118.93 3fpk s TRP 4 Ca 0.70 -1.00 0.04 0.00 -1.06 0.00 0.00 56.10 54.78 3fpk s TRP 4 Cb -0.25 -0.81 -0.05 0.00 -1.16 0.00 0.00 33.47 31.20 3fpk s TRP 4 CO 0.47 -0.16 -0.01 0.14 -4.06 0.00 0.00 176.95 173.32 3fpk s VAL 5 N -3.58 1.11 -0.24 -0.66 -7.23 0.68 -4.83 120.40 105.66 3fpk s VAL 5 Ca 0.28 -2.04 -0.22 0.00 -1.81 0.00 0.00 61.98 58.19 3fpk s VAL 5 Cb 0.06 -2.36 -0.01 0.00 0.56 0.00 0.00 36.38 34.63 3fpk s VAL 5 CO 0.07 -0.32 0.70 -0.89 -0.31 0.00 0.00 175.10 174.36 3fpk s THR 6 N -3.37 4.93 0.24 5.32 2.01 -1.26 -0.93 115.64 122.59 3fpk s THR 6 Ca 0.29 1.30 -0.05 0.00 0.31 0.00 0.00 61.69 63.54 3fpk s THR 6 Cb 0.05 -4.00 -0.05 0.00 0.01 0.00 0.00 72.50 68.51 3fpk s THR 6 CO 0.09 0.00 0.50 -0.83 -0.69 0.00 0.00 174.62 173.69 3fpk s GLY 7 N 1.38 1.98 -0.10 4.40 0.00 0.64 -4.47 107.32 111.16 3fpk s GLY 7 Ca 0.30 -0.55 0.04 0.00 0.00 0.00 0.00 44.72 44.51 3fpk s GLY 7 CO 0.08 -0.45 -0.24 1.25 0.00 0.00 0.00 173.10 173.75 3fpk s LYS 8 N -3.24 3.04 0.05 2.90 2.20 -0.09 -1.47 119.74 123.14 3fpk s LYS 8 Ca 0.43 -0.87 -0.31 0.00 -0.36 0.00 0.00 55.97 54.87 3fpk s LYS 8 Cb -0.11 -2.31 -0.05 0.00 -1.51 0.00 0.00 37.83 33.85 3fpk s LYS 8 CO 0.27 0.19 1.19 0.08 -0.36 0.00 0.00 175.35 176.73 3fpk s VAL 9 N 0.32 4.07 -0.03 4.02 1.01 0.19 -0.82 120.40 129.16 3fpk s VAL 9 Ca -0.18 1.49 0.09 0.00 0.00 0.00 0.00 61.98 63.38 3fpk s VAL 9 Cb -0.18 -3.95 -0.14 0.00 0.00 0.00 0.00 36.38 32.11 3fpk s VAL 9 CO 0.09 0.11 0.16 0.35 0.00 0.00 0.00 175.10 175.81 3fpk n THR 10 N 3.96 0.17 -3.70 3.92 -2.24 0.23 0.47 114.28 117.09 3fpk n THR 10 Ca 0.09 -0.26 -0.14 0.00 -2.27 0.00 0.00 64.05 61.47 3fpk n THR 10 Cb 0.47 -0.02 -0.09 0.00 -2.10 0.00 0.00 70.33 68.59 3fpk n THR 10 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3fpk s LYS 11 N -2.54 0.63 -0.12 -0.78 2.20 -1.10 -4.80 119.74 113.23 3fpk s LYS 11 Ca -0.04 0.44 0.01 0.00 -0.36 0.00 0.00 55.97 56.02 3fpk s LYS 11 Cb 0.05 0.30 0.02 0.00 -1.51 0.00 0.00 37.83 36.69 3fpk s LYS 11 CO 0.39 -0.12 -0.13 0.08 -0.36 0.00 0.00 175.35 175.21 3fpk s VAL 12 N -0.23 1.41 -0.28 4.02 1.01 -1.26 -0.91 120.40 124.16 3fpk s VAL 12 Ca -0.04 -0.56 -0.03 0.00 0.00 0.00 0.00 61.98 61.35 3fpk s VAL 12 Cb -0.03 -1.32 0.03 0.00 0.00 0.00 0.00 36.38 35.06 3fpk s VAL 12 CO 0.02 0.43 -0.01 -1.58 0.00 0.00 0.00 175.10 173.96 3fpk s GLN 13 N 1.25 2.73 -0.49 2.72 2.00 -0.06 -4.97 119.66 122.85 3fpk s GLN 13 Ca -0.01 -1.06 -0.19 0.00 -2.00 0.00 0.00 55.36 52.09 3fpk s GLN 13 Cb -0.14 -3.13 0.05 0.00 0.80 0.00 0.00 33.01 30.59 3fpk s GLN 13 CO -0.05 -0.49 0.60 -0.80 -0.50 0.00 0.00 175.29 174.05 3fpk s ASN 14 N 1.33 6.23 0.03 6.67 0.01 -1.26 -0.32 114.94 127.63 3fpk s ASN 14 Ca -0.01 -0.81 -0.17 0.00 -0.71 0.00 0.00 52.86 51.15 3fpk s ASN 14 Cb -0.18 -2.28 -0.25 0.00 0.41 0.00 0.00 41.25 38.95 3fpk s ASN 14 CO -0.02 -0.84 1.11 -0.50 -1.51 0.00 0.00 177.10 175.35 3fpk h TRP 15 N 8.94 0.81 -3.87 2.20 4.06 -1.26 -3.48 115.95 123.34 3fpk h TRP 15 Ca -0.27 -0.46 -0.29 0.00 2.06 0.00 0.00 58.89 59.93 3fpk h TRP 15 Cb 1.10 -0.08 -0.07 0.00 -1.00 0.00 0.00 29.16 29.10 3fpk h TRP 15 CO 0.73 1.30 -0.23 0.25 -3.56 0.00 0.00 178.44 176.92 3fpk n THR 16 N -4.03 0.00 0.12 1.49 -2.24 -1.00 -4.97 114.28 103.65 3fpk n THR 16 Ca -0.11 -1.62 0.13 0.00 -2.27 0.00 0.00 64.05 60.18 3fpk n THR 16 Cb 0.80 0.89 0.64 0.00 -2.10 0.00 0.00 70.33 70.57 3fpk n THR 16 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3fpk h ASP 17 N 1.55 0.04 0.00 3.42 3.32 -2.00 -3.22 116.42 119.53 3fpk h ASP 17 Ca -0.20 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.77 3fpk h ASP 17 Cb 0.92 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.45 3fpk h ASP 17 CO 0.27 0.03 -1.70 0.00 -1.72 0.00 0.00 179.24 176.12 3fpk n ALA 18 N -2.58 2.22 -2.79 3.45 0.00 -1.26 -4.94 120.51 114.61 3fpk n ALA 18 Ca 0.03 -0.50 -0.35 0.00 0.00 0.00 0.00 53.44 52.63 3fpk n ALA 18 Cb 0.33 -0.31 -0.09 0.00 0.00 0.00 0.00 19.45 19.38 3fpk n ALA 18 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3fpk s LEU 19 N -4.28 3.83 0.06 0.00 1.43 -1.22 -0.22 118.68 118.28 3fpk s LEU 19 Ca -0.05 0.18 -0.10 0.00 -1.03 0.00 0.00 54.13 53.13 3fpk s LEU 19 Cb 0.07 -1.93 0.00 0.00 0.03 0.00 0.00 46.19 44.37 3fpk s LEU 19 CO 0.55 0.30 0.20 0.72 0.23 0.00 0.00 176.35 178.35 3fpk s PHE 20 N -0.37 0.07 -0.09 0.29 -0.12 -0.61 -0.67 117.98 116.47 3fpk s PHE 20 Ca 0.09 -0.36 0.04 0.00 -0.05 0.00 0.00 56.93 56.65 3fpk s PHE 20 Cb -0.12 -0.03 -0.00 0.00 -0.63 0.00 0.00 43.02 42.24 3fpk s PHE 20 CO 0.02 -0.48 -0.23 -1.12 -0.05 0.00 0.00 175.22 173.36 3fpk s SER 21 N -2.37 3.17 -0.00 1.98 0.01 0.56 -0.88 113.70 116.18 3fpk s SER 21 Ca -0.01 -0.53 -0.10 0.00 1.31 0.00 0.00 55.95 56.62 3fpk s SER 21 Cb 0.01 -1.33 -0.05 0.00 0.21 0.00 0.00 66.02 64.86 3fpk s SER 21 CO -0.06 0.18 0.32 -0.76 0.41 0.00 0.00 173.24 173.32 3fpk s LEU 22 N 0.24 4.40 -0.07 2.44 1.43 -0.22 -0.88 118.68 126.03 3fpk s LEU 22 Ca -0.15 0.72 0.05 0.00 -1.03 0.00 0.00 54.13 53.71 3fpk s LEU 22 Cb -0.17 -2.60 -0.01 0.00 0.03 0.00 0.00 46.19 43.44 3fpk s LEU 22 CO 0.08 0.29 -0.23 -0.89 0.23 0.00 0.00 176.35 175.83 3fpk s THR 23 N -1.20 2.22 0.00 5.49 2.01 -0.09 -1.46 115.64 122.62 3fpk s THR 23 Ca 0.25 -1.00 0.01 0.00 0.31 0.00 0.00 61.69 61.26 3fpk s THR 23 Cb -0.14 -1.83 -0.00 0.00 0.01 0.00 0.00 72.50 70.54 3fpk s THR 23 CO 0.13 0.57 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.90 3fpk s VAL 24 N -0.12 0.31 -0.20 3.82 1.01 0.23 -0.60 120.40 124.84 3fpk s VAL 24 Ca -0.05 -0.23 -0.06 0.00 0.00 0.00 0.00 61.98 61.64 3fpk s VAL 24 Cb -0.14 -0.27 -0.03 0.00 0.00 0.00 0.00 36.38 35.93 3fpk s VAL 24 CO 0.04 0.04 0.03 -1.00 0.00 0.00 0.00 175.10 174.21 3fpk s HIS 25 N -0.20 3.09 -0.05 5.22 3.76 0.00 -1.97 115.29 125.15 3fpk s HIS 25 Ca 0.00 -0.31 -0.16 0.00 -0.15 0.00 0.00 55.06 54.44 3fpk s HIS 25 Cb -0.02 -2.10 0.03 0.00 1.11 0.00 0.00 32.58 31.60 3fpk s HIS 25 CO -0.00 -0.15 0.37 0.00 -0.85 0.00 0.00 174.74 174.11 3fpk s ALA 26 N 0.93 -0.94 -1.49 -1.40 0.00 -1.26 -0.91 121.76 116.68 3fpk s ALA 26 Ca 0.02 0.64 -0.09 0.00 0.00 0.00 0.00 51.96 52.53 3fpk s ALA 26 Cb -0.14 -0.12 0.01 0.00 0.00 0.00 0.00 23.12 22.87 3fpk s ALA 26 CO 0.02 -0.25 2.64 -0.35 0.00 0.00 0.00 175.76 177.82 3fpk n PRO 27 N 1.64 3.91 -1.48 0.00 -0.04 -1.26 -4.93 135.00 132.84 3fpk n PRO 27 Ca -0.19 -2.72 -0.30 0.00 -0.04 0.00 0.00 63.50 60.24 3fpk n PRO 27 Cb 0.56 -2.80 0.10 0.00 -0.04 0.00 0.00 33.50 31.32 3fpk n PRO 27 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 3fpk s ILE 28 N 1.09 3.05 0.77 0.52 -4.36 -1.26 -4.93 121.20 116.08 3fpk s ILE 28 Ca 0.61 0.34 -0.11 0.00 -0.26 0.00 0.00 60.65 61.23 3fpk s ILE 28 Cb 0.17 -3.03 0.06 0.00 1.25 0.00 0.00 42.46 40.92 3fpk s ILE 28 CO -0.07 -0.45 1.13 0.20 0.24 0.00 0.00 174.94 175.99 3fpk s ASN 29 N -3.79 4.74 0.52 4.36 0.02 -1.05 -5.02 114.94 114.72 3fpk s ASN 29 Ca 0.61 0.77 -0.22 0.00 -1.02 0.00 0.00 52.86 53.00 3fpk s ASN 29 Cb -0.15 -1.35 -0.06 0.00 0.02 0.00 0.00 41.25 39.71 3fpk s ASN 29 CO 0.55 -1.73 1.30 -2.84 0.02 0.00 0.00 177.10 174.39 3fpk s PRO 30 N -5.46 3.31 0.34 -0.60 0.02 -1.26 -4.86 135.00 126.49 3fpk s PRO 30 Ca 0.61 2.09 0.04 0.00 0.02 0.00 0.00 61.00 63.76 3fpk s PRO 30 Cb -0.11 -2.29 -0.06 0.00 0.02 0.00 0.00 34.50 32.06 3fpk s PRO 30 CO 0.48 -1.01 0.06 -0.59 -0.33 0.00 0.00 177.00 175.62 3fpk s PHE 31 N -1.38 1.95 -0.12 6.54 -0.12 -1.26 -4.73 117.98 118.86 3fpk s PHE 31 Ca 0.69 -0.99 -0.05 0.00 -0.05 0.00 0.00 56.93 56.53 3fpk s PHE 31 Cb -0.37 -1.29 -0.04 0.00 -0.63 0.00 0.00 43.02 40.70 3fpk s PHE 31 CO 0.44 -0.01 0.07 0.99 -0.05 0.00 0.00 175.22 176.65 3fpk s THR 32 N -3.27 4.89 0.13 -4.49 2.01 -1.26 -4.79 115.64 108.86 3fpk s THR 32 Ca 0.34 -0.02 -0.33 0.00 0.31 0.00 0.00 61.69 62.00 3fpk s THR 32 Cb 0.08 -3.12 -0.12 0.00 0.01 0.00 0.00 72.50 69.34 3fpk s THR 32 CO 0.15 0.58 1.73 0.00 -0.69 0.00 0.00 174.62 176.39 3fpk n ALA 33 N 2.41 1.91 0.00 7.40 0.00 -1.26 -1.32 120.51 129.64 3fpk n ALA 33 Ca -0.19 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.63 3fpk n ALA 33 Cb 0.54 -2.49 0.00 0.00 0.00 0.00 0.00 19.45 17.50 3fpk n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fpk n GLY 34 N 3.93 2.18 3.87 0.00 0.00 -1.26 -4.45 105.19 109.47 3fpk n GLY 34 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 3fpk n GLY 34 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3fpk s GLN 35 N -0.63 2.07 0.28 1.61 -0.21 -0.43 -4.58 119.66 117.77 3fpk s GLN 35 Ca 0.00 0.25 0.07 0.00 0.02 0.00 0.00 55.36 55.70 3fpk s GLN 35 Cb 0.00 -1.95 -0.06 0.00 1.00 0.00 0.00 33.01 32.00 3fpk s GLN 35 CO 0.00 -1.55 -0.07 -0.59 -2.12 0.00 0.00 175.29 170.97 3fpk s PHE 36 N -3.46 1.96 0.08 0.91 -0.12 -0.24 -2.37 117.98 114.74 3fpk s PHE 36 Ca 0.61 -0.68 0.00 0.00 -0.05 0.00 0.00 56.93 56.81 3fpk s PHE 36 Cb -0.12 -1.11 -0.00 0.00 -0.63 0.00 0.00 43.02 41.17 3fpk s PHE 36 CO 0.51 0.30 0.00 -2.37 -0.05 0.00 0.00 175.22 173.61 3fpk n THR 37 N -0.58 0.00 -5.08 -4.49 5.66 -0.60 -0.82 114.28 108.37 3fpk n THR 37 Ca -0.05 -0.37 -0.32 0.00 -3.05 0.00 0.00 64.05 60.25 3fpk n THR 37 Cb 0.63 0.09 -0.16 0.00 -1.55 0.00 0.00 70.33 69.34 3fpk n THR 37 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 3fpk s LYS 38 N -2.27 3.04 -0.04 1.09 1.02 -1.26 -0.93 119.74 120.39 3fpk s LYS 38 Ca 0.01 -0.82 -0.05 0.00 0.02 0.00 0.00 55.97 55.12 3fpk s LYS 38 Cb 0.00 -2.38 -0.04 0.00 -0.52 0.00 0.00 37.83 34.89 3fpk s LYS 38 CO 0.00 0.24 0.20 -0.51 -0.92 0.00 0.00 175.35 174.37 3fpk s LEU 39 N 0.21 4.38 -0.02 3.17 1.43 -0.62 -1.56 118.68 125.67 3fpk s LEU 39 Ca -0.13 0.46 -0.02 0.00 -1.03 0.00 0.00 54.13 53.41 3fpk s LEU 39 Cb -0.16 -2.47 0.01 0.00 0.03 0.00 0.00 46.19 43.59 3fpk s LEU 39 CO 0.07 0.31 0.05 -0.83 0.23 0.00 0.00 176.35 176.18 3fpk s GLY 40 N -1.58 -0.04 0.18 -3.19 0.00 -0.25 -1.70 107.32 100.74 3fpk s GLY 40 Ca 0.24 0.15 0.04 0.00 0.00 0.00 0.00 44.72 45.14 3fpk s GLY 40 CO 0.13 0.13 -0.04 1.08 0.00 0.00 0.00 173.10 174.40 3fpk s LEU 41 N 0.03 2.32 -0.18 0.66 1.43 -0.58 -1.22 118.68 121.14 3fpk s LEU 41 Ca -0.00 -1.12 -0.25 0.00 -1.03 0.00 0.00 54.13 51.73 3fpk s LEU 41 Cb -0.00 -0.25 -0.01 0.00 0.03 0.00 0.00 46.19 45.95 3fpk s LEU 41 CO 0.00 -0.45 0.82 -0.70 0.23 0.00 0.00 176.35 176.25 3fpk s GLU 42 N -3.82 4.27 -0.10 1.70 2.12 -1.26 -0.87 118.70 120.74 3fpk s GLU 42 Ca 0.22 0.97 0.01 0.00 0.36 0.00 0.00 54.97 56.54 3fpk s GLU 42 Cb 0.04 -3.58 0.02 0.00 0.26 0.00 0.00 34.13 30.87 3fpk s GLU 42 CO 0.04 -0.35 -0.11 0.42 -0.54 0.00 0.00 175.26 174.73 3fpk s ILE 43 N 2.22 1.16 -1.55 -3.70 1.01 0.63 -4.78 121.20 116.19 3fpk s ILE 43 Ca 0.37 -0.42 -0.14 0.00 0.00 0.00 0.00 60.65 60.46 3fpk s ILE 43 Cb -0.16 -1.11 0.09 0.00 0.01 0.00 0.00 42.46 41.28 3fpk s ILE 43 CO 0.11 0.38 0.92 0.47 0.00 0.00 0.00 174.94 176.83 3fpk n ASP 44 N 4.45 -4.23 0.00 3.58 8.00 -1.26 -1.54 116.55 125.55 3fpk n ASP 44 Ca -0.17 -0.83 0.00 0.00 0.71 0.00 0.00 54.79 54.50 3fpk n ASP 44 Cb 0.51 -3.68 0.00 0.00 -0.02 0.00 0.00 41.12 37.93 3fpk n ASP 44 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3fpk n GLY 45 N -1.64 0.87 3.21 0.44 0.00 -1.26 -5.02 105.19 101.78 3fpk n GLY 45 Ca 0.02 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.86 3fpk n GLY 45 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3fpk s GLU 46 N -0.15 0.93 -0.01 1.61 -1.05 -0.59 -5.12 118.70 114.33 3fpk s GLU 46 Ca 0.00 -1.12 -0.30 0.00 -0.15 0.00 0.00 54.97 53.40 3fpk s GLU 46 Cb 0.00 -0.86 -0.04 0.00 -0.44 0.00 0.00 34.13 32.79 3fpk s GLU 46 CO 0.00 0.17 1.16 1.03 0.95 0.00 0.00 175.26 178.58 3fpk s ARG 47 N -2.28 4.41 -0.05 -4.83 1.81 -1.26 -0.27 118.95 116.48 3fpk s ARG 47 Ca 0.04 1.66 0.05 0.00 -1.72 0.00 0.00 55.73 55.76 3fpk s ARG 47 Cb -0.07 -3.46 -0.01 0.00 -0.45 0.00 0.00 34.95 30.96 3fpk s ARG 47 CO 0.02 -0.31 -0.21 0.08 -0.68 0.00 0.00 175.30 174.20 3fpk s VAL 48 N 1.60 1.72 0.05 3.52 1.01 -0.05 -4.93 120.40 123.32 3fpk s VAL 48 Ca 0.56 -0.87 -0.01 0.00 0.00 0.00 0.00 61.98 61.66 3fpk s VAL 48 Cb -0.26 -1.47 -0.04 0.00 0.00 0.00 0.00 36.38 34.62 3fpk s VAL 48 CO 0.25 0.48 -0.03 0.00 0.00 0.00 0.00 175.10 175.80 3fpk s GLN 49 N -0.03 0.61 0.05 2.72 -2.07 -1.26 -1.52 119.66 118.17 3fpk s GLN 49 Ca -0.05 -1.19 -0.08 0.00 -1.82 0.00 0.00 55.36 52.22 3fpk s GLN 49 Cb -0.13 0.16 -0.00 0.00 -1.09 0.00 0.00 33.01 31.95 3fpk s GLN 49 CO 0.03 -0.10 0.16 1.03 -1.32 0.00 0.00 175.29 175.09 3fpk s ARG 50 N -3.75 0.69 0.21 9.60 1.81 -0.69 -4.97 118.95 121.85 3fpk s ARG 50 Ca 0.06 -0.76 -0.30 0.00 -1.72 0.00 0.00 55.73 53.01 3fpk s ARG 50 Cb 0.07 0.28 -0.08 0.00 -0.45 0.00 0.00 34.95 34.76 3fpk s ARG 50 CO -0.09 -0.20 1.07 0.00 -0.68 0.00 0.00 175.30 175.41 3fpk s ALA 51 N -2.91 3.37 -0.03 2.13 0.00 -1.26 -1.59 121.76 121.47 3fpk s ALA 51 Ca -0.02 0.80 0.00 0.00 0.00 0.00 0.00 51.96 52.74 3fpk s ALA 51 Cb 0.01 -3.32 0.02 0.00 0.00 0.00 0.00 23.12 19.83 3fpk s ALA 51 CO -0.06 -0.13 -0.00 0.71 0.00 0.00 0.00 175.76 176.28 3fpk s TYR 52 N -0.59 0.30 0.36 0.00 2.02 -0.11 -4.93 117.35 114.40 3fpk s TYR 52 Ca 0.47 -0.00 -0.25 0.00 -0.37 0.00 0.00 57.07 56.91 3fpk s TYR 52 Cb -0.29 -0.37 -0.09 0.00 -0.40 0.00 0.00 41.96 40.80 3fpk s TYR 52 CO 0.36 -0.11 1.03 -1.12 -1.57 0.00 0.00 175.55 174.13 3fpk s SER 53 N 0.87 6.98 0.12 2.29 0.01 -1.26 -1.56 113.70 121.15 3fpk s SER 53 Ca -0.09 2.01 -0.31 0.00 1.31 0.00 0.00 55.95 58.87 3fpk s SER 53 Cb -0.12 -2.59 -0.08 0.00 0.21 0.00 0.00 66.02 63.44 3fpk s SER 53 CO -0.02 -0.33 1.38 -0.31 0.41 0.00 0.00 173.24 174.38 3fpk s TYR 54 N -1.59 3.25 -0.06 2.43 2.02 -1.00 -4.53 117.35 117.86 3fpk s TYR 54 Ca 0.54 0.97 0.08 0.00 -0.37 0.00 0.00 57.07 58.28 3fpk s TYR 54 Cb -0.22 -3.68 -0.24 0.00 -0.40 0.00 0.00 41.96 37.42 3fpk s TYR 54 CO 0.28 -2.35 0.59 0.28 -1.57 0.00 0.00 175.55 172.78 3fpk n VAL 55 N 3.89 1.66 -2.31 0.71 0.31 0.15 -4.02 118.33 118.73 3fpk n VAL 55 Ca 0.11 -0.76 -0.36 0.00 -0.01 0.00 0.00 64.34 63.32 3fpk n VAL 55 Cb 0.42 -1.22 -0.01 0.00 -0.91 0.00 0.00 33.84 32.12 3fpk n VAL 55 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3fpk s ASN 56 N -6.34 6.11 0.59 4.52 4.22 -1.26 -2.12 114.94 120.67 3fpk s ASN 56 Ca -0.09 2.21 -0.19 0.00 -2.14 0.00 0.00 52.86 52.65 3fpk s ASN 56 Cb 0.08 -2.59 -0.05 0.00 1.28 0.00 0.00 41.25 39.97 3fpk s ASN 56 CO 0.81 -0.95 1.04 0.00 -2.04 0.00 0.00 177.10 175.96 3fpk n ALA 57 N -0.71 0.41 0.29 3.54 0.00 -1.26 -4.55 120.51 118.23 3fpk n ALA 57 Ca 0.08 0.03 0.18 0.00 0.00 0.00 0.00 53.44 53.73 3fpk n ALA 57 Cb 0.49 -2.16 0.82 0.00 0.00 0.00 0.00 19.45 18.61 3fpk n ALA 57 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3fpk h PRO 58 N 0.63 0.00 -0.17 0.00 0.11 -1.87 -1.05 132.00 129.65 3fpk h PRO 58 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3fpk h PRO 58 Cb 1.35 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.46 3fpk h PRO 58 CO 0.52 0.03 0.00 -0.40 -0.21 0.00 0.00 178.00 177.94 3fpk n ASP 59 N -3.16 1.90 -4.45 -2.05 5.75 -1.26 -4.74 116.55 108.54 3fpk n ASP 59 Ca -0.01 -1.73 -0.38 0.00 -0.01 0.00 0.00 54.79 52.66 3fpk n ASP 59 Cb 0.24 -0.10 -0.12 0.00 -1.03 0.00 0.00 41.12 40.11 3fpk n ASP 59 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 3fpk s ASN 60 N -1.63 5.56 0.00 -1.12 2.47 -0.40 -4.98 114.94 114.84 3fpk s ASN 60 Ca 0.34 -0.49 0.26 0.00 0.42 0.00 0.00 52.86 53.39 3fpk s ASN 60 Cb 0.19 -2.01 1.42 0.00 -1.45 0.00 0.00 41.25 39.40 3fpk s ASN 60 CO 0.28 -0.18 1.88 -0.81 -3.72 0.00 0.00 177.10 174.55 3fpk n PRO 61 N 4.98 0.60 -2.78 0.43 -0.04 -1.26 -4.32 135.00 132.61 3fpk n PRO 61 Ca -0.14 0.02 -0.43 0.00 -0.04 0.00 0.00 63.50 62.91 3fpk n PRO 61 Cb 0.49 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.44 3fpk n PRO 61 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 3fpk s ASN 62 N -2.27 6.72 0.22 3.54 0.01 -1.26 -4.70 114.94 117.20 3fpk s ASN 62 Ca 0.32 -2.14 -0.31 0.00 -0.71 0.00 0.00 52.86 50.02 3fpk s ASN 62 Cb 0.17 -2.47 -0.11 0.00 0.41 0.00 0.00 41.25 39.26 3fpk s ASN 62 CO 0.34 -1.13 1.57 -0.76 -1.51 0.00 0.00 177.10 175.60 3fpk s LEU 63 N 3.29 4.37 -0.03 0.60 1.43 -0.83 -4.73 118.68 122.79 3fpk s LEU 63 Ca 0.41 2.73 0.02 0.00 -1.03 0.00 0.00 54.13 56.27 3fpk s LEU 63 Cb -0.02 -3.61 0.01 0.00 0.03 0.00 0.00 46.19 42.60 3fpk s LEU 63 CO -0.05 -0.84 -0.07 -0.70 0.23 0.00 0.00 176.35 174.92 3fpk s GLU 64 N 0.47 0.78 -0.04 1.70 2.12 -1.26 -0.60 118.70 121.87 3fpk s GLU 64 Ca 0.67 -0.22 0.02 0.00 0.36 0.00 0.00 54.97 55.80 3fpk s GLU 64 Cb -0.45 -0.76 0.01 0.00 0.26 0.00 0.00 34.13 33.19 3fpk s GLU 64 CO 0.37 0.06 -0.09 -0.06 -0.54 0.00 0.00 175.26 175.00 3fpk s PHE 65 N 0.32 1.06 -0.27 5.30 0.08 -0.54 -0.67 117.98 123.25 3fpk s PHE 65 Ca -0.04 -0.31 -0.06 0.00 0.12 0.00 0.00 56.93 56.63 3fpk s PHE 65 Cb -0.09 -0.79 -0.00 0.00 -0.57 0.00 0.00 43.02 41.57 3fpk s PHE 65 CO 0.00 -0.16 0.05 -0.47 -0.10 0.00 0.00 175.22 174.54 3fpk s TYR 66 N 0.45 3.09 0.14 0.36 5.04 -1.26 -1.06 117.35 124.12 3fpk s TYR 66 Ca -0.08 -0.83 0.10 0.00 -2.44 0.00 0.00 57.07 53.82 3fpk s TYR 66 Cb -0.12 -2.22 -0.04 0.00 0.35 0.00 0.00 41.96 39.94 3fpk s TYR 66 CO 0.01 -0.51 -0.23 -0.51 -1.34 0.00 0.00 175.55 172.97 3fpk s LEU 67 N 1.52 2.36 -0.06 6.97 1.02 -0.05 -4.84 118.68 125.60 3fpk s LEU 67 Ca 0.04 -0.77 0.03 0.00 0.02 0.00 0.00 54.13 53.45 3fpk s LEU 67 Cb -0.16 -1.03 -0.02 0.00 0.02 0.00 0.00 46.19 45.00 3fpk s LEU 67 CO 0.02 0.09 -0.16 0.54 0.02 0.00 0.00 176.35 176.86 3fpk s VAL 68 N -1.40 2.91 -0.45 -1.59 0.11 -1.26 -1.58 120.40 117.14 3fpk s VAL 68 Ca 0.13 -0.77 -0.28 0.00 -2.93 0.00 0.00 61.98 58.13 3fpk s VAL 68 Cb -0.09 -2.14 0.01 0.00 -1.53 0.00 0.00 36.38 32.63 3fpk s VAL 68 CO 0.06 0.58 1.49 -0.89 -3.33 0.00 0.00 175.10 173.01 3fpk s THR 69 N -0.48 3.78 -0.18 5.04 2.01 0.69 -4.91 115.64 121.60 3fpk s THR 69 Ca 0.06 0.75 -0.29 0.00 0.31 0.00 0.00 61.69 62.52 3fpk s THR 69 Cb -0.12 -4.18 0.00 0.00 0.01 0.00 0.00 72.50 68.22 3fpk s THR 69 CO 0.02 -0.83 1.04 -0.69 -0.69 0.00 0.00 174.62 173.46 3fpk s VAL 70 N 6.03 4.70 0.30 3.82 1.01 -1.26 -4.95 120.40 130.04 3fpk s VAL 70 Ca 0.62 2.02 -0.30 0.00 0.00 0.00 0.00 61.98 64.32 3fpk s VAL 70 Cb -0.14 -4.30 -0.11 0.00 0.00 0.00 0.00 36.38 31.83 3fpk s VAL 70 CO 0.30 -0.11 1.53 -2.16 0.00 0.00 0.00 175.10 174.66 3fpk s PRO 71 N 2.77 4.16 0.00 2.72 0.04 -1.26 -0.61 135.00 142.82 3fpk s PRO 71 Ca 0.46 2.50 0.00 0.00 0.04 0.00 0.00 61.00 64.00 3fpk s PRO 71 Cb -0.16 -3.03 0.00 0.00 0.04 0.00 0.00 34.50 31.34 3fpk s PRO 71 CO 0.11 -0.55 0.00 1.04 0.04 0.00 0.00 177.00 177.64 3fpk n GLN 72 N 1.82 -0.76 -2.13 4.56 3.00 -1.26 -4.99 117.38 117.62 3fpk n GLN 72 Ca 0.06 0.19 -0.36 0.00 -0.01 0.00 0.00 57.00 56.88 3fpk n GLN 72 Cb 0.39 -4.10 0.01 0.00 0.00 0.00 0.00 30.24 26.54 3fpk n GLN 72 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 3fpk s GLY 73 N -2.00 2.72 -0.06 1.08 0.00 0.22 -4.99 107.32 104.29 3fpk s GLY 73 Ca 0.00 0.95 -0.17 0.00 0.00 0.00 0.00 44.72 45.50 3fpk s GLY 73 CO 0.00 1.35 0.67 1.70 0.00 0.00 0.00 173.10 176.82 3fpk h LYS 74 N 1.25 -0.29 0.10 2.90 1.63 -1.94 -3.41 116.57 116.81 3fpk h LYS 74 Ca -0.50 0.02 -0.34 0.00 -0.85 0.00 0.00 60.65 58.98 3fpk h LYS 74 Cb 1.28 0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 32.95 3fpk h LYS 74 CO 0.57 0.02 -1.83 -0.11 -3.45 0.00 0.00 179.45 174.64 3fpk n LEU 75 N -4.97 2.46 -0.36 5.20 7.94 -1.26 -4.39 117.00 121.63 3fpk n LEU 75 Ca -0.06 0.26 0.09 0.00 -1.11 0.00 0.00 56.01 55.19 3fpk n LEU 75 Cb 0.22 -1.09 0.26 0.00 0.53 0.00 0.00 43.42 43.35 3fpk n LEU 75 CO 0.19 0.73 1.21 0.77 -1.11 0.00 0.00 177.39 179.18 3fpk h SER 76 N -0.17 0.86 0.31 1.96 4.64 -1.91 0.05 113.55 119.29 3fpk h SER 76 Ca -0.41 0.07 -0.07 0.00 -0.47 0.00 0.00 61.79 60.91 3fpk h SER 76 Cb 1.87 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 63.85 3fpk h SER 76 CO 0.02 0.41 -0.31 -0.65 -0.87 0.00 0.00 176.83 175.43 3fpk h PRO 77 N 0.90 0.01 -0.09 4.77 0.11 -1.79 0.05 132.00 135.96 3fpk h PRO 77 Ca 0.52 -0.00 -0.22 0.00 0.11 0.00 0.00 66.00 66.41 3fpk h PRO 77 Cb 0.63 -0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.74 3fpk h PRO 77 CO -0.31 0.32 -0.82 0.00 -0.21 0.00 0.00 178.00 176.98 3fpk h ARG 78 N 0.01 0.60 -0.39 1.05 2.47 -1.25 -2.72 114.38 114.14 3fpk h ARG 78 Ca -0.00 -0.53 -0.06 0.00 -1.26 0.00 0.00 59.98 58.13 3fpk h ARG 78 Cb 0.55 0.12 -0.02 0.00 -1.65 0.00 0.00 29.97 28.97 3fpk h ARG 78 CO 0.04 1.15 0.01 -0.07 0.56 0.00 0.00 179.97 181.65 3fpk h LEU 79 N 0.39 0.59 -1.97 3.04 3.38 -0.92 -2.35 115.31 117.46 3fpk h LEU 79 Ca -0.06 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 3fpk h LEU 79 Cb 1.43 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 42.03 3fpk h LEU 79 CO 0.15 0.65 -0.03 0.00 0.09 0.00 0.00 178.44 179.31 3fpk h ALA 80 N 1.42 1.04 -0.01 1.53 0.00 -0.70 -2.05 119.26 120.50 3fpk h ALA 80 Ca 0.12 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3fpk h ALA 80 Cb 0.37 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3fpk h ALA 80 CO 0.01 0.04 -0.26 0.00 0.00 0.00 0.00 179.25 179.03 3fpk n ALA 81 N -2.12 3.09 -1.76 0.00 0.00 -0.89 -4.93 120.51 113.90 3fpk n ALA 81 Ca -0.01 -0.41 -0.38 0.00 0.00 0.00 0.00 53.44 52.65 3fpk n ALA 81 Cb 0.23 -1.13 0.01 0.00 0.00 0.00 0.00 19.45 18.56 3fpk n ALA 81 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3fpk s LEU 82 N -2.51 3.96 0.20 0.00 1.43 -0.77 -5.04 118.68 115.95 3fpk s LEU 82 Ca 0.24 2.50 0.10 0.00 -1.03 0.00 0.00 54.13 55.94 3fpk s LEU 82 Cb 0.19 -4.24 -0.04 0.00 0.03 0.00 0.00 46.19 42.13 3fpk s LEU 82 CO 0.52 -1.17 -0.21 -0.54 0.23 0.00 0.00 176.35 175.19 3fpk s LYS 83 N -2.76 1.44 0.17 1.70 -0.14 -1.26 -4.92 119.74 113.97 3fpk s LYS 83 Ca 0.66 -1.53 -0.33 0.00 -1.36 0.00 0.00 55.97 53.41 3fpk s LYS 83 Cb -0.34 -1.59 -0.15 0.00 -1.68 0.00 0.00 37.83 34.07 3fpk s LYS 83 CO 0.40 0.32 1.27 -2.30 -0.76 0.00 0.00 175.35 174.29 3fpk n PRO 84 N 0.08 1.41 0.00 -1.68 -0.02 -1.26 -1.10 135.00 132.43 3fpk n PRO 84 Ca -0.11 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 3fpk n PRO 84 Cb 0.57 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 3fpk n PRO 84 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fpk n GLY 85 N 2.22 2.60 3.79 -1.23 0.00 0.18 -4.98 105.19 107.77 3fpk n GLY 85 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 3fpk n GLY 85 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3fpk s ASP 86 N -1.39 5.54 0.20 1.61 1.01 -0.26 -4.73 116.67 118.65 3fpk s ASP 86 Ca 0.00 1.88 -0.04 0.00 0.71 0.00 0.00 52.55 55.10 3fpk s ASP 86 Cb 0.00 -2.54 -0.05 0.00 1.01 0.00 0.00 42.92 41.34 3fpk s ASP 86 CO 0.00 -1.33 0.44 -1.61 0.21 0.00 0.00 175.17 172.87 3fpk s GLU 87 N -4.09 3.62 -0.09 8.23 2.02 -1.26 -0.64 118.70 126.49 3fpk s GLU 87 Ca 0.65 -0.08 -0.12 0.00 0.02 0.00 0.00 54.97 55.44 3fpk s GLU 87 Cb -0.18 -2.78 0.03 0.00 0.10 0.00 0.00 34.13 31.30 3fpk s GLU 87 CO 0.39 0.38 0.30 0.54 0.02 0.00 0.00 175.26 176.89 3fpk s VAL 88 N -1.81 0.02 0.17 2.63 0.11 -0.54 -4.92 120.40 116.05 3fpk s VAL 88 Ca 0.42 -0.15 -0.30 0.00 -2.93 0.00 0.00 61.98 59.02 3fpk s VAL 88 Cb -0.11 -0.48 -0.07 0.00 -1.53 0.00 0.00 36.38 34.19 3fpk s VAL 88 CO 0.26 -0.08 0.95 -1.58 -3.33 0.00 0.00 175.10 171.33 3fpk s GLN 89 N -0.26 4.77 -0.09 1.54 0.74 -0.36 -0.26 119.66 125.73 3fpk s GLN 89 Ca -0.04 1.47 0.01 0.00 0.05 0.00 0.00 55.36 56.85 3fpk s GLN 89 Cb -0.03 -3.33 0.02 0.00 1.10 0.00 0.00 33.01 30.76 3fpk s GLN 89 CO 0.01 0.34 -0.09 0.08 -0.55 0.00 0.00 175.29 175.09 3fpk s VAL 90 N -0.51 1.03 0.19 1.34 1.01 -0.11 -1.09 120.40 122.26 3fpk s VAL 90 Ca 0.44 -0.34 -0.31 0.00 0.00 0.00 0.00 61.98 61.77 3fpk s VAL 90 Cb -0.25 -1.01 -0.09 0.00 0.00 0.00 0.00 36.38 35.03 3fpk s VAL 90 CO 0.31 0.35 1.45 -0.69 0.00 0.00 0.00 175.10 176.52 3fpk s VAL 91 N 1.29 2.88 0.19 2.92 1.01 -0.60 -0.23 120.40 127.86 3fpk s VAL 91 Ca -0.03 0.68 -0.02 0.00 0.00 0.00 0.00 61.98 62.61 3fpk s VAL 91 Cb -0.14 -3.43 -0.06 0.00 0.00 0.00 0.00 36.38 32.74 3fpk s VAL 91 CO -0.03 0.08 1.49 0.28 0.00 0.00 0.00 175.10 176.92 3fpk h SER 92 N 6.01 0.56 -3.68 3.32 0.02 -1.66 -3.41 113.55 114.71 3fpk h SER 92 Ca -0.44 -0.32 -0.66 0.00 -0.84 0.00 0.00 61.79 59.54 3fpk h SER 92 Cb 1.21 -0.16 -0.17 0.00 0.14 0.00 0.00 62.40 63.42 3fpk h SER 92 CO 0.84 1.03 -0.29 -0.62 -1.14 0.00 0.00 176.83 176.65 3fpk s ASP 93 N -6.93 6.18 0.89 3.07 -1.08 -1.26 -2.53 116.67 115.01 3fpk s ASP 93 Ca -0.07 -0.17 -0.11 0.00 -0.52 0.00 0.00 52.55 51.68 3fpk s ASP 93 Cb 0.11 -2.20 0.13 0.00 -1.46 0.00 0.00 42.92 39.51 3fpk s ASP 93 CO 0.84 -0.32 1.11 0.00 0.52 0.00 0.00 175.17 177.32 3fpk s ALA 94 N 2.02 1.52 0.15 3.66 0.00 -1.26 -4.90 121.76 122.95 3fpk s ALA 94 Ca 0.12 0.31 0.03 0.00 0.00 0.00 0.00 51.96 52.42 3fpk s ALA 94 Cb -0.16 -3.33 -0.04 0.00 0.00 0.00 0.00 23.12 19.58 3fpk s ALA 94 CO 0.11 -2.50 -0.07 -1.12 0.00 0.00 0.00 175.76 172.18 3fpk s SER 95 N -3.00 1.58 0.00 0.00 0.01 0.00 -4.95 113.70 107.34 3fpk s SER 95 Ca 0.65 -1.05 0.00 0.00 1.31 0.00 0.00 55.95 56.86 3fpk s SER 95 Cb -0.20 0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.06 3fpk s SER 95 CO 0.58 -0.41 0.00 0.61 0.41 0.00 0.00 173.24 174.43 3fpk n GLY 96 N -0.19 3.23 0.63 3.44 0.00 -1.26 -1.08 105.19 109.96 3fpk n GLY 96 Ca -0.10 -1.76 0.07 0.00 0.00 0.00 0.00 46.02 44.23 3fpk n GLY 96 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3fpk n PHE 97 N -0.60 0.58 -2.24 1.61 3.72 -1.26 -4.81 117.46 114.45 3fpk n PHE 97 Ca 0.00 -0.71 -0.42 0.00 -0.05 0.00 0.00 57.45 56.26 3fpk n PHE 97 Cb 0.00 -0.17 0.00 0.00 -0.94 0.00 0.00 39.48 38.38 3fpk n PHE 97 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3fpk n PHE 98 N -0.23 2.88 -4.03 1.38 7.35 -1.26 -4.71 117.46 118.84 3fpk n PHE 98 Ca 0.15 -2.80 -0.08 0.00 -0.76 0.00 0.00 57.45 53.96 3fpk n PHE 98 Cb 0.63 -1.96 -0.10 0.00 0.35 0.00 0.00 39.48 38.41 3fpk n PHE 98 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 3fpk s VAL 99 N 0.28 0.18 0.48 -2.13 -7.23 -1.26 -4.39 120.40 106.33 3fpk s VAL 99 Ca 0.42 -1.49 0.14 0.00 -1.81 0.00 0.00 61.98 59.24 3fpk s VAL 99 Cb 0.11 -1.19 0.23 0.00 0.56 0.00 0.00 36.38 36.09 3fpk s VAL 99 CO -0.01 -0.82 2.07 -0.07 -0.31 0.00 0.00 175.10 175.95 3fpk h LEU 100 N 3.45 0.05 -1.88 1.32 3.38 -1.90 -0.19 115.31 119.54 3fpk h LEU 100 Ca -0.33 -0.00 0.14 0.00 0.09 0.00 0.00 57.88 57.77 3fpk h LEU 100 Cb 1.16 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.88 3fpk h LEU 100 CO 0.59 0.12 0.53 0.44 0.09 0.00 0.00 178.44 180.21 3fpk h ASP 101 N 0.06 0.00 -0.22 -0.43 3.32 -1.94 -0.80 116.42 116.42 3fpk h ASP 101 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3fpk h ASP 101 Cb 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.69 3fpk h ASP 101 CO 0.01 0.00 0.00 -0.62 -1.72 0.00 0.00 179.24 176.91 3fpk n GLU 102 N -3.64 1.86 -3.72 3.56 -0.58 -0.09 -4.94 120.64 113.09 3fpk n GLU 102 Ca 0.09 -1.73 -0.37 0.00 -0.42 0.00 0.00 57.16 54.74 3fpk n GLU 102 Cb 0.72 -1.29 -0.11 0.00 -0.57 0.00 0.00 31.44 30.20 3fpk n GLU 102 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3fpk s VAL 103 N -1.05 4.96 0.60 2.62 1.01 -0.31 -5.00 120.40 123.23 3fpk s VAL 103 Ca 0.22 0.04 -0.16 0.00 0.00 0.00 0.00 61.98 62.08 3fpk s VAL 103 Cb 0.13 -3.32 -0.03 0.00 0.00 0.00 0.00 36.38 33.15 3fpk s VAL 103 CO 0.18 0.33 1.08 -2.16 0.00 0.00 0.00 175.10 174.52 3fpk s PRO 104 N 1.35 3.23 0.29 2.72 0.04 -1.26 -4.98 135.00 136.39 3fpk s PRO 104 Ca 0.06 1.31 -0.28 0.00 0.04 0.00 0.00 61.00 62.13 3fpk s PRO 104 Cb -0.15 -2.01 -0.14 0.00 0.04 0.00 0.00 34.50 32.24 3fpk s PRO 104 CO 0.06 -0.89 0.95 -0.25 0.04 0.00 0.00 177.00 176.90 3fpk n ASP 105 N -1.96 0.97 -3.74 6.66 8.00 -1.26 -4.95 116.55 120.27 3fpk n ASP 105 Ca 0.09 1.17 -0.09 0.00 0.71 0.00 0.00 54.79 56.67 3fpk n ASP 105 Cb 0.52 -1.25 -0.03 0.00 -0.02 0.00 0.00 41.12 40.35 3fpk n ASP 105 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3fpk h GLU 107 N 2.07 0.07 -4.83 0.00 4.81 -1.67 -3.37 114.58 111.66 3fpk h GLU 107 Ca -0.26 -0.03 -0.62 0.00 -0.13 0.00 0.00 59.36 58.32 3fpk h GLU 107 Cb 1.27 -0.00 -0.35 0.00 0.63 0.00 0.00 28.75 30.29 3fpk h GLU 107 CO 0.31 0.50 -0.84 0.99 -0.73 0.00 0.00 179.01 179.24 3fpk s THR 108 N -4.39 1.72 -0.38 0.32 2.01 0.97 -1.00 115.64 114.89 3fpk s THR 108 Ca -0.15 -0.74 -0.17 0.00 0.31 0.00 0.00 61.69 60.94 3fpk s THR 108 Cb 0.03 -1.58 0.01 0.00 0.01 0.00 0.00 72.50 70.96 3fpk s THR 108 CO 0.69 0.48 0.42 -0.22 -0.69 0.00 0.00 174.62 175.31 3fpk s LEU 109 N 1.28 4.64 -0.12 4.42 2.96 -0.64 -1.48 118.68 129.73 3fpk s LEU 109 Ca 0.02 -0.43 -0.13 0.00 -0.22 0.00 0.00 54.13 53.36 3fpk s LEU 109 Cb -0.14 -2.40 -0.05 0.00 0.50 0.00 0.00 46.19 44.11 3fpk s LEU 109 CO -0.09 -0.48 0.31 0.26 -1.32 0.00 0.00 176.35 175.03 3fpk s TRP 110 N 2.14 3.54 -0.26 5.38 0.52 -0.16 -0.56 118.94 129.54 3fpk s TRP 110 Ca 0.13 0.69 0.01 0.00 0.02 0.00 0.00 56.10 56.95 3fpk s TRP 110 Cb -0.17 -2.30 0.07 0.00 -1.15 0.00 0.00 33.47 29.93 3fpk s TRP 110 CO 0.13 0.38 -0.02 -1.64 0.02 0.00 0.00 176.95 175.82 3fpk s MET 111 N -0.02 1.47 -0.18 4.98 -1.94 0.11 -0.12 119.30 123.60 3fpk s MET 111 Ca 0.18 -1.10 -0.05 0.00 -1.71 0.00 0.00 55.69 53.01 3fpk s MET 111 Cb -0.14 -2.58 -0.03 0.00 2.01 0.00 0.00 34.83 34.09 3fpk s MET 111 CO 0.06 -0.69 0.01 -0.51 -0.01 0.00 0.00 175.02 173.88 3fpk s LEU 112 N 1.37 3.43 0.01 -0.03 1.43 -0.26 -0.15 118.68 124.48 3fpk s LEU 112 Ca -0.02 -0.09 0.01 0.00 -1.03 0.00 0.00 54.13 53.00 3fpk s LEU 112 Cb -0.19 -1.86 -0.01 0.00 0.03 0.00 0.00 46.19 44.17 3fpk s LEU 112 CO -0.09 0.13 -0.02 0.00 0.23 0.00 0.00 176.35 176.60 3fpk s ALA 113 N 0.60 0.16 -0.08 4.21 0.00 -0.57 -0.66 121.76 125.41 3fpk s ALA 113 Ca -0.00 -0.21 -0.03 0.00 0.00 0.00 0.00 51.96 51.72 3fpk s ALA 113 Cb -0.14 0.01 -0.04 0.00 0.00 0.00 0.00 23.12 22.95 3fpk s ALA 113 CO 0.02 -0.01 0.04 0.95 0.00 0.00 0.00 175.76 176.77 3fpk s THR 114 N -0.39 4.65 0.00 0.00 -4.23 -1.04 -0.99 115.64 113.64 3fpk s THR 114 Ca -0.03 -0.17 0.00 0.00 -1.18 0.00 0.00 61.69 60.31 3fpk s THR 114 Cb -0.03 -3.00 0.00 0.00 1.34 0.00 0.00 72.50 70.81 3fpk s THR 114 CO -0.00 0.57 0.00 0.61 -0.54 0.00 0.00 174.62 175.26 3fpk n GLY 115 N 1.96 3.75 0.08 3.99 0.00 0.71 -1.15 105.19 114.53 3fpk n GLY 115 Ca -0.18 0.05 0.15 0.00 0.00 0.00 0.00 46.02 46.04 3fpk n GLY 115 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3fpk n THR 116 N 0.00 0.00 1.71 2.61 -2.24 -1.26 -3.56 114.28 111.54 3fpk n THR 116 Ca 0.00 -0.04 0.07 0.00 -2.27 0.00 0.00 64.05 61.80 3fpk n THR 116 Cb 0.00 -0.31 0.39 0.00 -2.10 0.00 0.00 70.33 68.31 3fpk n THR 116 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3fpk n ALA 117 N -0.83 2.43 0.25 6.98 0.00 -0.30 -3.05 120.51 126.00 3fpk n ALA 117 Ca 0.22 -0.08 0.13 0.00 0.00 0.00 0.00 53.44 53.70 3fpk n ALA 117 Cb 0.17 -1.22 0.65 0.00 0.00 0.00 0.00 19.45 19.06 3fpk n ALA 117 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 3fpk h ILE 118 N 0.00 0.47 -0.79 0.00 6.09 -1.74 -3.38 117.51 118.16 3fpk h ILE 118 Ca 0.00 -0.72 0.10 0.00 -1.37 0.00 0.00 64.86 62.87 3fpk h ILE 118 Cb 0.00 1.50 -0.12 0.00 0.47 0.00 0.00 36.82 38.67 3fpk h ILE 118 CO 0.00 0.14 -0.50 1.23 -3.07 0.00 0.00 178.15 175.95 3fpk h GLY 119 N 1.37 -0.56 0.74 8.18 0.00 -1.87 -2.06 103.07 108.86 3fpk h GLY 119 Ca -0.00 0.66 0.10 0.00 0.00 0.00 0.00 47.33 48.09 3fpk h GLY 119 CO 0.02 -0.09 0.57 -2.55 0.00 0.00 0.00 176.54 174.48 3fpk h PRO 120 N -0.13 0.83 -0.18 4.80 0.11 -1.75 -0.97 132.00 134.72 3fpk h PRO 120 Ca 0.19 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 66.14 3fpk h PRO 120 Cb 0.52 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.43 3fpk h PRO 120 CO -0.82 0.55 -0.36 1.88 -0.21 0.00 0.00 178.00 179.04 3fpk h TYR 121 N 0.86 0.44 -0.43 0.65 0.05 -1.66 -1.80 116.97 115.08 3fpk h TYR 121 Ca 0.40 -0.11 -0.13 0.00 0.05 0.00 0.00 58.73 58.94 3fpk h TYR 121 Cb 0.41 -0.10 -0.01 0.00 1.01 0.00 0.00 36.73 38.04 3fpk h TYR 121 CO -0.00 0.69 -0.26 -0.07 -1.05 0.00 0.00 178.16 177.47 3fpk h LEU 122 N 0.32 0.94 0.16 3.88 3.38 -0.79 0.11 115.31 123.31 3fpk h LEU 122 Ca 0.04 -0.37 -0.00 0.00 0.09 0.00 0.00 57.88 57.63 3fpk h LEU 122 Cb 0.78 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 3fpk h LEU 122 CO 0.06 1.14 -0.12 -1.28 0.09 0.00 0.00 178.44 178.33 3fpk h SER 123 N 0.78 -0.31 -0.16 -0.43 0.87 -0.70 0.82 113.55 114.43 3fpk h SER 123 Ca 0.09 0.03 0.02 0.00 -1.23 0.00 0.00 61.79 60.70 3fpk h SER 123 Cb 0.82 0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.86 3fpk h SER 123 CO 0.07 -0.19 0.02 0.40 -0.53 0.00 0.00 176.83 176.60 3fpk h ILE 124 N -0.29 0.91 -0.15 2.23 2.04 -1.22 -1.23 117.51 119.80 3fpk h ILE 124 Ca -0.01 -0.03 -0.16 0.00 1.00 0.00 0.00 64.86 65.67 3fpk h ILE 124 Cb 0.26 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 3fpk h ILE 124 CO -0.01 0.01 -0.57 -0.07 0.00 0.00 0.00 178.15 177.52 3fpk h LEU 125 N 0.07 0.51 -0.64 1.44 3.38 -0.74 -0.81 115.31 118.52 3fpk h LEU 125 Ca 0.07 -0.28 -0.15 0.00 0.09 0.00 0.00 57.88 57.62 3fpk h LEU 125 Cb 0.08 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3fpk h LEU 125 CO -0.11 0.97 -0.56 1.56 0.09 0.00 0.00 178.44 180.39 3fpk h GLN 126 N 0.35 0.35 0.10 1.13 4.20 -0.77 -3.19 115.11 117.29 3fpk h GLN 126 Ca 0.00 -0.22 -0.00 0.00 0.06 0.00 0.00 58.65 58.48 3fpk h GLN 126 Cb 1.10 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.90 3fpk h GLN 126 CO 0.10 0.82 -0.05 -0.92 -0.67 0.00 0.00 178.83 178.11 3fpk h TYR 127 N 0.27 -0.12 0.00 2.96 3.20 -1.02 -3.48 116.97 118.78 3fpk h TYR 127 Ca 0.00 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3fpk h TYR 127 Cb 1.06 0.04 0.00 0.00 1.54 0.00 0.00 36.73 39.37 3fpk h TYR 127 CO 0.03 0.21 0.00 0.41 -1.64 0.00 0.00 178.16 177.17 3fpk n GLY 128 N -0.22 0.53 3.92 1.82 0.00 -0.33 -5.03 105.19 105.88 3fpk n GLY 128 Ca -0.08 -0.28 -0.27 0.00 0.00 0.00 0.00 46.02 45.38 3fpk n GLY 128 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3fpk s GLN 129 N -0.60 3.57 -1.50 1.61 -1.52 -1.26 -4.44 119.66 115.51 3fpk s GLN 129 Ca 0.00 -0.14 -0.06 0.00 -1.95 0.00 0.00 55.36 53.21 3fpk s GLN 129 Cb 0.00 -2.67 0.02 0.00 -0.22 0.00 0.00 33.01 30.13 3fpk s GLN 129 CO 0.00 0.21 0.69 -3.47 -0.25 0.00 0.00 175.29 172.47 3fpk n ASP 130 N -1.17 -5.86 0.00 5.90 2.03 -1.26 -4.86 116.55 111.33 3fpk n ASP 130 Ca -0.03 -0.35 0.00 0.00 0.52 0.00 0.00 54.79 54.93 3fpk n ASP 130 Cb 0.55 -4.72 0.00 0.00 -0.72 0.00 0.00 41.12 36.23 3fpk n ASP 130 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 3fpk n VAL 131 N -4.53 0.00 0.27 5.18 0.24 -1.26 -4.66 118.33 113.56 3fpk n VAL 131 Ca -0.08 -0.48 0.10 0.00 -2.04 0.00 0.00 64.34 61.84 3fpk n VAL 131 Cb 0.60 1.02 0.72 0.00 -1.47 0.00 0.00 33.84 34.71 3fpk n VAL 131 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3fpk h ALA 132 N 0.00 1.79 0.00 2.33 0.00 -1.89 -2.29 119.26 119.20 3fpk h ALA 132 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3fpk h ALA 132 Cb 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3fpk h ALA 132 CO 0.00 0.03 0.00 2.89 0.00 0.00 0.00 179.25 182.17 3fpk n ARG 133 N -4.27 0.28 -4.13 0.00 1.85 -1.26 -4.68 116.66 104.46 3fpk n ARG 133 Ca -0.03 0.06 -0.35 0.00 -1.00 0.00 0.00 57.85 56.53 3fpk n ARG 133 Cb 0.11 -1.50 -0.09 0.00 -1.05 0.00 0.00 32.46 29.93 3fpk n ARG 133 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 3fpk s PHE 134 N -2.66 3.28 0.03 2.89 0.08 -0.86 -4.53 117.98 116.22 3fpk s PHE 134 Ca 0.21 0.20 -0.18 0.00 0.12 0.00 0.00 56.93 57.27 3fpk s PHE 134 Cb 0.16 -1.94 -0.21 0.00 -0.57 0.00 0.00 43.02 40.46 3fpk s PHE 134 CO 0.38 0.38 1.16 -0.22 -0.10 0.00 0.00 175.22 176.83 3fpk h LYS 135 N 5.78 0.51 -6.14 0.44 3.64 -1.27 -3.46 116.57 116.07 3fpk h LYS 135 Ca -0.45 -0.49 -0.60 0.00 -1.27 0.00 0.00 60.65 57.84 3fpk h LYS 135 Cb 1.19 0.13 -0.27 0.00 -0.41 0.00 0.00 32.23 32.87 3fpk h LYS 135 CO 0.62 1.13 -0.85 -0.80 -2.27 0.00 0.00 179.45 177.28 3fpk s ASN 136 N -6.82 2.54 -0.04 4.20 0.02 -0.17 -4.91 114.94 109.76 3fpk s ASN 136 Ca -0.12 -0.49 0.07 0.00 -1.02 0.00 0.00 52.86 51.29 3fpk s ASN 136 Cb 0.05 -0.23 -0.01 0.00 0.02 0.00 0.00 41.25 41.07 3fpk s ASN 136 CO 0.84 0.19 -0.25 -0.76 0.02 0.00 0.00 177.10 177.15 3fpk s LEU 137 N -1.02 2.05 -0.09 0.60 1.43 -0.82 -1.62 118.68 119.21 3fpk s LEU 137 Ca 0.08 -0.48 -0.00 0.00 -1.03 0.00 0.00 54.13 52.70 3fpk s LEU 137 Cb -0.09 -1.32 0.02 0.00 0.03 0.00 0.00 46.19 44.84 3fpk s LEU 137 CO 0.01 0.28 -0.05 -0.69 0.23 0.00 0.00 176.35 176.13 3fpk s VAL 138 N -0.38 0.75 -0.20 -1.59 1.01 0.27 -0.92 120.40 119.34 3fpk s VAL 138 Ca 0.03 -0.14 -0.05 0.00 0.00 0.00 0.00 61.98 61.82 3fpk s VAL 138 Cb -0.12 -0.81 -0.03 0.00 0.00 0.00 0.00 36.38 35.42 3fpk s VAL 138 CO 0.01 0.31 0.01 -0.22 0.00 0.00 0.00 175.10 175.21 3fpk s LEU 139 N 1.64 3.30 -0.20 3.92 2.96 0.22 0.09 118.68 130.61 3fpk s LEU 139 Ca 0.02 -0.19 0.01 0.00 -0.22 0.00 0.00 54.13 53.76 3fpk s LEU 139 Cb -0.13 -1.84 0.03 0.00 0.50 0.00 0.00 46.19 44.75 3fpk s LEU 139 CO -0.05 0.06 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.19 3fpk s VAL 140 N 1.01 2.02 -0.28 1.68 1.01 0.79 -0.64 120.40 125.99 3fpk s VAL 140 Ca 0.02 -1.12 -0.06 0.00 0.00 0.00 0.00 61.98 60.82 3fpk s VAL 140 Cb -0.14 -1.94 0.00 0.00 0.00 0.00 0.00 36.38 34.30 3fpk s VAL 140 CO 0.02 0.34 0.05 -2.28 0.00 0.00 0.00 175.10 173.23 3fpk s HIS 141 N 1.26 3.11 -0.17 5.22 2.46 -0.55 -1.52 115.29 125.11 3fpk s HIS 141 Ca 0.00 -0.96 -0.07 0.00 0.47 0.00 0.00 55.06 54.51 3fpk s HIS 141 Cb -0.15 -2.22 -0.04 0.00 -0.13 0.00 0.00 32.58 30.04 3fpk s HIS 141 CO -0.10 -0.56 0.07 0.00 -2.47 0.00 0.00 174.74 171.68 3fpk s ALA 142 N 1.50 3.48 0.22 1.58 0.00 -0.16 -0.52 121.76 127.86 3fpk s ALA 142 Ca 0.03 -0.73 -0.02 0.00 0.00 0.00 0.00 51.96 51.24 3fpk s ALA 142 Cb -0.17 -1.92 -0.03 0.00 0.00 0.00 0.00 23.12 21.00 3fpk s ALA 142 CO 0.01 0.25 0.20 0.00 0.00 0.00 0.00 175.76 176.23 3fpk s ALA 143 N 0.14 1.05 -0.02 0.00 0.00 -0.58 -0.20 121.76 122.15 3fpk s ALA 143 Ca 0.05 -1.63 -0.25 0.00 0.00 0.00 0.00 51.96 50.14 3fpk s ALA 143 Cb -0.12 1.35 -0.19 0.00 0.00 0.00 0.00 23.12 24.16 3fpk s ALA 143 CO 0.00 -0.64 1.23 -0.09 0.00 0.00 0.00 175.76 176.26 3fpk h ARG 144 N 2.50 -0.10 -6.42 0.00 2.43 -1.93 -3.07 114.38 107.79 3fpk h ARG 144 Ca -0.33 0.01 -0.62 0.00 -0.81 0.00 0.00 59.98 58.22 3fpk h ARG 144 Cb 1.25 0.02 -0.15 0.00 -0.42 0.00 0.00 29.97 30.67 3fpk h ARG 144 CO 0.48 0.33 -0.76 -0.06 -1.51 0.00 0.00 179.97 178.45 3fpk s PHE 145 N -4.29 2.43 0.31 2.20 0.08 -1.26 -1.59 117.98 115.86 3fpk s PHE 145 Ca -0.15 -0.30 0.07 0.00 0.12 0.00 0.00 56.93 56.67 3fpk s PHE 145 Cb 0.02 -1.14 0.78 0.00 -0.57 0.00 0.00 43.02 42.10 3fpk s PHE 145 CO 0.62 0.57 1.75 0.00 -0.10 0.00 0.00 175.22 178.07 3fpk h ALA 146 N 2.73 1.67 0.00 5.36 0.00 -1.93 -0.72 119.26 126.38 3fpk h ALA 146 Ca -0.45 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3fpk h ALA 146 Cb 1.23 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3fpk h ALA 146 CO 0.54 -0.16 0.13 0.00 0.00 0.00 0.00 179.25 179.77 3fpk h ALA 147 N 1.68 1.11 -0.13 0.00 0.00 -1.99 -2.20 119.26 117.72 3fpk h ALA 147 Ca 0.60 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.51 3fpk h ALA 147 Cb 1.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3fpk h ALA 147 CO -0.43 -0.11 0.00 -0.25 0.00 0.00 0.00 179.25 178.46 3fpk n ASP 148 N -2.54 2.31 -4.31 0.00 8.00 -0.28 -4.67 116.55 115.07 3fpk n ASP 148 Ca -0.02 -1.78 -0.44 0.00 0.71 0.00 0.00 54.79 53.26 3fpk n ASP 148 Cb 0.18 -0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.20 3fpk n ASP 148 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3fpk n LEU 149 N 0.77 5.60 0.16 0.64 4.77 -0.83 -4.83 117.00 123.29 3fpk n LEU 149 Ca 0.17 -4.61 0.13 0.00 -0.03 0.00 0.00 56.01 51.67 3fpk n LEU 149 Cb 0.46 -1.56 0.38 0.00 -2.33 0.00 0.00 43.42 40.37 3fpk n LEU 149 CO 0.15 0.98 0.87 0.28 -1.33 0.00 0.00 177.39 178.34 3fpk h SER 150 N 6.71 0.00 -0.35 -1.43 0.02 -1.88 -3.13 113.55 113.50 3fpk h SER 150 Ca 0.31 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 61.15 3fpk h SER 150 Cb 0.81 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.29 3fpk h SER 150 CO 1.30 0.00 0.01 -1.22 -1.14 0.00 0.00 176.83 175.78 3fpk n TYR 151 N -2.60 1.15 -0.28 3.45 4.01 -1.26 -4.68 117.16 116.94 3fpk n TYR 151 Ca 0.04 -1.24 -0.01 0.00 -0.16 0.00 0.00 57.90 56.53 3fpk n TYR 151 Cb 0.41 -0.43 0.11 0.00 -0.31 0.00 0.00 39.34 39.13 3fpk n TYR 151 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 3fpk h LEU 152 N 1.44 0.76 -0.88 7.72 3.38 -1.97 0.70 115.31 126.46 3fpk h LEU 152 Ca 0.13 0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.14 3fpk h LEU 152 Cb 1.63 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 42.18 3fpk h LEU 152 CO 0.35 0.50 0.58 -0.65 0.09 0.00 0.00 178.44 179.31 3fpk h PRO 153 N 0.90 1.11 -0.48 1.13 0.11 -1.89 -0.18 132.00 132.69 3fpk h PRO 153 Ca 0.33 -0.07 -0.09 0.00 0.11 0.00 0.00 66.00 66.29 3fpk h PRO 153 Cb 0.12 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 30.95 3fpk h PRO 153 CO -0.15 0.74 -0.05 1.25 -0.21 0.00 0.00 178.00 179.58 3fpk h LEU 154 N 1.15 0.82 -0.95 2.35 5.85 -1.77 -2.25 115.31 120.52 3fpk h LEU 154 Ca 0.34 -0.22 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 3fpk h LEU 154 Cb -0.06 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 40.70 3fpk h LEU 154 CO -0.10 0.91 0.57 0.24 -0.34 0.00 0.00 178.44 179.73 3fpk h MET 155 N 0.77 1.28 -0.73 1.25 2.86 -0.18 -0.12 114.93 120.06 3fpk h MET 155 Ca 0.14 -0.11 0.05 0.00 -2.06 0.00 0.00 59.70 57.71 3fpk h MET 155 Cb 0.53 -0.27 -0.05 0.00 0.06 0.00 0.00 31.60 31.87 3fpk h MET 155 CO 0.03 0.89 0.44 -0.07 1.06 0.00 0.00 176.91 179.26 3fpk h LEU 156 N 1.30 0.69 -0.41 1.22 3.38 -0.81 0.11 115.31 120.79 3fpk h LEU 156 Ca 0.34 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.31 3fpk h LEU 156 Cb -0.06 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 3fpk h LEU 156 CO -0.06 0.46 0.21 -0.08 0.09 0.00 0.00 178.44 179.05 3fpk h GLU 157 N 0.83 0.59 -0.47 1.13 4.81 -0.77 -2.47 114.58 118.23 3fpk h GLU 157 Ca 0.31 -0.08 -0.06 0.00 -0.13 0.00 0.00 59.36 59.40 3fpk h GLU 157 Cb 0.12 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 3fpk h GLU 157 CO -0.15 0.50 0.05 -0.07 -0.73 0.00 0.00 179.01 178.61 3fpk h LEU 158 N 0.53 0.77 -0.62 1.64 3.38 -0.78 -1.31 115.31 118.92 3fpk h LEU 158 Ca 0.14 -0.28 0.03 0.00 0.09 0.00 0.00 57.88 57.87 3fpk h LEU 158 Cb 0.10 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 3fpk h LEU 158 CO -0.02 0.85 0.37 -0.61 0.09 0.00 0.00 178.44 179.13 3fpk h GLN 159 N 0.66 0.71 -0.47 1.13 -0.00 -0.68 -1.43 115.11 115.03 3fpk h GLN 159 Ca 0.14 -0.04 -0.06 0.00 -0.00 0.00 0.00 58.65 58.69 3fpk h GLN 159 Cb 0.43 -0.16 -0.02 0.00 0.00 0.00 0.00 27.48 27.73 3fpk h GLN 159 CO 0.01 0.47 0.05 0.37 0.00 0.00 0.00 178.83 179.74 3fpk h GLN 160 N 0.73 0.80 -0.91 1.69 4.15 -1.20 -2.56 115.11 117.81 3fpk h GLN 160 Ca 0.25 -0.23 0.11 0.00 0.77 0.00 0.00 58.65 59.56 3fpk h GLN 160 Cb 0.04 -0.09 -0.08 0.00 0.21 0.00 0.00 27.48 27.56 3fpk h GLN 160 CO -0.11 0.82 0.55 -0.09 -1.93 0.00 0.00 178.83 178.07 3fpk h ARG 161 N 0.67 0.85 -0.01 1.69 2.43 -0.85 -1.95 114.38 117.21 3fpk h ARG 161 Ca 0.14 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 3fpk h ARG 161 Cb 0.43 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 3fpk h ARG 161 CO 0.01 0.56 -0.20 0.66 -1.51 0.00 0.00 179.97 179.50 3fpk n TYR 162 N -4.69 0.00 -3.82 2.20 4.01 -0.57 -4.95 117.16 109.34 3fpk n TYR 162 Ca 0.17 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.62 3fpk n TYR 162 Cb 0.33 -0.12 0.04 0.00 -0.31 0.00 0.00 39.34 39.28 3fpk n TYR 162 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 3fpk n GLU 163 N -0.62 -6.33 0.00 -0.72 1.02 -0.74 -1.58 120.64 111.67 3fpk n GLU 163 Ca 0.13 0.67 0.00 0.00 -0.02 0.00 0.00 57.16 57.95 3fpk n GLU 163 Cb 0.33 -5.62 0.00 0.00 -0.02 0.00 0.00 31.44 26.13 3fpk n GLU 163 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3fpk n GLY 164 N -1.80 2.79 0.25 0.62 0.00 -1.25 -4.90 105.19 100.90 3fpk n GLY 164 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 3fpk n GLY 164 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3fpk h LYS 165 N 3.15 0.87 -5.50 1.61 3.64 -1.62 -3.40 116.57 115.32 3fpk h LYS 165 Ca 0.00 -0.43 -0.60 0.00 -1.27 0.00 0.00 60.65 58.34 3fpk h LYS 165 Cb 0.00 0.00 -0.11 0.00 -0.41 0.00 0.00 32.23 31.71 3fpk h LYS 165 CO 0.00 1.08 0.04 -1.17 -2.27 0.00 0.00 179.45 177.12 3fpk s LEU 166 N -8.97 4.10 -0.11 5.20 2.96 -1.26 -1.95 118.68 118.65 3fpk s LEU 166 Ca -0.12 0.67 -0.02 0.00 -0.22 0.00 0.00 54.13 54.45 3fpk s LEU 166 Cb 0.10 -2.76 -0.03 0.00 0.50 0.00 0.00 46.19 44.01 3fpk s LEU 166 CO 0.86 -0.26 -0.04 -0.13 -1.32 0.00 0.00 176.35 175.46 3fpk s ARG 167 N 2.04 3.19 -0.03 1.98 0.52 -0.10 -4.82 118.95 121.74 3fpk s ARG 167 Ca 0.25 -0.50 0.05 0.00 -0.52 0.00 0.00 55.73 55.00 3fpk s ARG 167 Cb -0.16 -2.77 -0.01 0.00 0.52 0.00 0.00 34.95 32.54 3fpk s ARG 167 CO 0.09 0.50 -0.18 0.42 0.02 0.00 0.00 175.30 176.16 3fpk s ILE 168 N -0.34 1.43 -0.03 1.52 1.01 -1.26 -0.61 121.20 122.91 3fpk s ILE 168 Ca 0.06 -0.74 0.01 0.00 0.00 0.00 0.00 60.65 59.97 3fpk s ILE 168 Cb -0.12 -1.21 0.03 0.00 0.01 0.00 0.00 42.46 41.16 3fpk s ILE 168 CO 0.02 0.41 -0.01 -1.58 0.00 0.00 0.00 174.94 173.78 3fpk s GLN 169 N -0.18 0.45 0.13 2.79 2.00 0.19 -4.99 119.66 120.05 3fpk s GLN 169 Ca 0.01 0.03 0.02 0.00 -2.00 0.00 0.00 55.36 53.43 3fpk s GLN 169 Cb -0.09 -0.59 -0.04 0.00 0.80 0.00 0.00 33.01 33.09 3fpk s GLN 169 CO 0.01 -0.13 0.23 0.95 -0.50 0.00 0.00 175.29 175.86 3fpk s THR 170 N 1.02 5.15 -0.02 -0.34 -4.23 -1.26 -1.48 115.64 114.48 3fpk s THR 170 Ca -0.10 -0.70 0.02 0.00 -1.18 0.00 0.00 61.69 59.73 3fpk s THR 170 Cb -0.14 -3.61 0.01 0.00 1.34 0.00 0.00 72.50 70.10 3fpk s THR 170 CO -0.01 -0.04 -0.06 -0.69 -0.54 0.00 0.00 174.62 173.28 3fpk s VAL 171 N -1.68 0.57 0.24 2.29 1.01 0.32 -1.56 120.40 121.59 3fpk s VAL 171 Ca 0.34 -0.23 0.11 0.00 0.00 0.00 0.00 61.98 62.20 3fpk s VAL 171 Cb -0.11 -0.53 -0.05 0.00 0.00 0.00 0.00 36.38 35.69 3fpk s VAL 171 CO 0.27 0.20 -0.20 0.68 0.00 0.00 0.00 175.10 176.05 3fpk s VAL 172 N 0.33 2.28 -0.05 2.92 -7.23 0.12 -1.52 120.40 117.25 3fpk s VAL 172 Ca -0.04 -2.25 -0.24 0.00 -1.81 0.00 0.00 61.98 57.64 3fpk s VAL 172 Cb -0.09 -2.18 -0.18 0.00 0.56 0.00 0.00 36.38 34.49 3fpk s VAL 172 CO 0.00 -0.36 1.03 0.28 -0.31 0.00 0.00 175.10 175.74 3fpk h SER 173 N 2.61 -0.11 0.00 4.85 0.02 -1.19 0.17 113.55 119.90 3fpk h SER 173 Ca -0.41 -0.45 0.00 0.00 -0.84 0.00 0.00 61.79 60.08 3fpk h SER 173 Cb 1.24 0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.81 3fpk h SER 173 CO 0.57 0.45 -0.24 0.54 -1.14 0.00 0.00 176.83 177.01 3fpk n ARG 174 N -4.88 2.27 -1.09 3.45 1.74 -1.26 -2.55 116.66 114.34 3fpk n ARG 174 Ca -0.08 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.66 3fpk n ARG 174 Cb 0.28 -0.62 0.13 0.00 -1.02 0.00 0.00 32.46 31.23 3fpk n ARG 174 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3fpk n GLU 175 N -0.67 0.16 -3.59 5.56 1.02 -1.26 -4.97 120.64 116.87 3fpk n GLU 175 Ca 0.00 0.13 -0.40 0.00 -0.02 0.00 0.00 57.16 56.87 3fpk n GLU 175 Cb 0.08 -2.39 -0.11 0.00 -0.02 0.00 0.00 31.44 29.00 3fpk n GLU 175 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 3fpk s ASN 176 N -2.09 5.77 -0.09 1.62 0.02 -1.26 -4.73 114.94 114.18 3fpk s ASN 176 Ca 0.72 -0.61 -0.01 0.00 -1.02 0.00 0.00 52.86 51.94 3fpk s ASN 176 Cb -0.29 -2.06 0.03 0.00 0.02 0.00 0.00 41.25 38.95 3fpk s ASN 176 CO 0.52 -0.26 -0.03 -0.69 0.02 0.00 0.00 177.10 176.66 3fpk s VAL 177 N 1.64 0.63 0.05 1.60 1.01 -1.26 -5.10 120.40 118.96 3fpk s VAL 177 Ca 0.05 -0.04 -0.35 0.00 0.00 0.00 0.00 61.98 61.64 3fpk s VAL 177 Cb -0.18 -0.73 -0.14 0.00 0.00 0.00 0.00 36.38 35.34 3fpk s VAL 177 CO 0.08 0.30 1.62 -2.65 0.00 0.00 0.00 175.10 174.45 3fpk n PRO 178 N 5.05 1.90 0.00 2.72 -0.02 -1.26 -1.58 135.00 141.81 3fpk n PRO 178 Ca -0.09 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 3fpk n PRO 178 Cb 0.50 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 3fpk n PRO 178 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fpk n GLY 179 N 3.56 2.48 3.65 -1.23 0.00 -1.26 -5.04 105.19 107.35 3fpk n GLY 179 Ca 0.19 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.94 3fpk n GLY 179 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3fpk s SER 180 N -1.49 4.74 0.49 1.61 0.01 -0.61 -4.62 113.70 113.83 3fpk s SER 180 Ca 0.00 -0.38 -0.08 0.00 1.31 0.00 0.00 55.95 56.81 3fpk s SER 180 Cb 0.00 -1.01 -0.04 0.00 0.21 0.00 0.00 66.02 65.18 3fpk s SER 180 CO 0.00 0.11 0.83 -0.76 0.41 0.00 0.00 173.24 173.83 3fpk s LEU 181 N -2.80 3.60 -0.10 2.44 1.43 -0.60 -4.62 118.68 118.03 3fpk s LEU 181 Ca 0.27 1.08 0.04 0.00 -1.03 0.00 0.00 54.13 54.48 3fpk s LEU 181 Cb -0.10 -4.03 0.00 0.00 0.03 0.00 0.00 46.19 42.09 3fpk s LEU 181 CO 0.18 -0.59 -0.24 -0.89 0.23 0.00 0.00 176.35 175.04 3fpk s THR 182 N -2.73 2.06 -1.49 5.49 2.01 -1.26 -0.70 115.64 119.01 3fpk s THR 182 Ca 0.50 -1.02 0.00 0.00 0.31 0.00 0.00 61.69 61.48 3fpk s THR 182 Cb -0.10 -1.78 0.00 0.00 0.01 0.00 0.00 72.50 70.63 3fpk s THR 182 CO 0.43 0.56 0.00 0.61 -0.69 0.00 0.00 174.62 175.53 3fpk n GLY 183 N 3.53 0.58 3.77 4.40 0.00 0.61 -4.95 105.19 113.12 3fpk n GLY 183 Ca -0.19 -2.18 -0.39 0.00 0.00 0.00 0.00 46.02 43.26 3fpk n GLY 183 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fpk s ARG 184 N -0.60 4.38 0.18 1.61 0.52 -1.26 -4.54 118.95 119.24 3fpk s ARG 184 Ca 0.00 0.87 -0.18 0.00 -0.52 0.00 0.00 55.73 55.90 3fpk s ARG 184 Cb 0.00 -3.32 0.13 0.00 0.52 0.00 0.00 34.95 32.27 3fpk s ARG 184 CO 0.00 0.40 1.63 0.28 0.02 0.00 0.00 175.30 177.63 3fpk h VAL 185 N 3.96 0.38 -0.98 3.52 2.07 -1.97 -0.27 116.25 122.97 3fpk h VAL 185 Ca -0.46 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.12 3fpk h VAL 185 Cb 1.20 0.38 -0.06 0.00 -1.52 0.00 0.00 31.29 31.29 3fpk h VAL 185 CO 0.69 0.00 0.63 1.55 0.02 0.00 0.00 177.57 180.46 3fpk h PRO 186 N -0.11 1.13 -0.44 1.57 0.13 -1.93 -0.74 132.00 131.61 3fpk h PRO 186 Ca 0.22 -0.07 -0.09 0.00 -0.87 0.00 0.00 66.00 65.19 3fpk h PRO 186 Cb 0.45 -0.25 -0.02 0.00 0.13 0.00 0.00 31.00 31.30 3fpk h PRO 186 CO -0.53 0.75 -0.08 0.00 -0.23 0.00 0.00 178.00 177.91 3fpk h ALA 187 N 1.43 1.04 0.00 -0.56 0.00 -1.69 -0.63 119.26 118.86 3fpk h ALA 187 Ca 0.41 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 3fpk h ALA 187 Cb 0.13 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3fpk h ALA 187 CO -0.16 0.59 -0.39 -0.07 0.00 0.00 0.00 179.25 179.21 3fpk h LEU 188 N 0.70 0.00 0.08 0.00 3.38 -0.30 -1.39 115.31 117.78 3fpk h LEU 188 Ca 0.12 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 3fpk h LEU 188 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 3fpk h LEU 188 CO 0.03 0.39 -0.04 0.40 0.09 0.00 0.00 178.44 179.32 3fpk h ILE 189 N 0.00 1.20 -0.99 1.22 2.04 -0.97 -1.05 117.51 118.96 3fpk h ILE 189 Ca -0.00 -1.20 0.05 0.00 1.00 0.00 0.00 64.86 64.71 3fpk h ILE 189 Cb 0.96 1.95 -0.06 0.00 -0.74 0.00 0.00 36.82 38.92 3fpk h ILE 189 CO 0.05 0.29 0.64 -0.08 0.00 0.00 0.00 178.15 179.05 3fpk h GLU 190 N -0.67 1.16 -0.01 2.37 4.81 -0.92 -2.37 114.58 118.94 3fpk h GLU 190 Ca -0.01 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 3fpk h GLU 190 Cb 0.55 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.67 3fpk h GLU 190 CO 0.02 0.76 -0.07 0.27 -0.73 0.00 0.00 179.01 179.27 3fpk n ASN 191 N -4.49 1.01 0.00 1.04 0.23 -0.54 -4.93 115.26 107.58 3fpk n ASN 191 Ca 0.14 -1.16 0.00 0.00 -0.53 0.00 0.00 54.58 53.04 3fpk n ASN 191 Cb 0.15 0.01 0.00 0.00 -2.08 0.00 0.00 39.78 37.86 3fpk n ASN 191 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3fpk n GLY 192 N 1.20 1.04 0.20 4.83 0.00 -0.89 -4.94 105.19 106.62 3fpk n GLY 192 Ca 0.18 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.07 3fpk n GLY 192 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3fpk h GLU 193 N 3.46 0.58 -0.38 1.61 5.08 -1.61 -1.63 114.58 121.70 3fpk h GLU 193 Ca 0.00 -0.47 -0.09 0.00 -1.00 0.00 0.00 59.36 57.79 3fpk h GLU 193 Cb 0.00 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 3fpk h GLU 193 CO 0.00 1.10 -0.13 1.25 -1.00 0.00 0.00 179.01 180.23 3fpk h LEU 194 N 0.40 0.77 -0.46 1.33 5.85 -1.54 -0.27 115.31 121.38 3fpk h LEU 194 Ca -0.04 -0.38 -0.15 0.00 0.84 0.00 0.00 57.88 58.15 3fpk h LEU 194 Cb 1.35 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 42.16 3fpk h LEU 194 CO 0.14 0.97 -0.31 -0.33 -0.34 0.00 0.00 178.44 178.57 3fpk h GLU 195 N 0.55 0.94 -0.45 1.25 5.08 -1.77 -0.91 114.58 119.27 3fpk h GLU 195 Ca 0.09 -0.45 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 3fpk h GLU 195 Cb 0.66 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 3fpk h GLU 195 CO 0.04 1.12 0.29 0.87 -1.00 0.00 0.00 179.01 180.33 3fpk h LYS 196 N 0.79 0.60 -0.97 2.33 1.57 -1.23 0.16 116.57 119.82 3fpk h LYS 196 Ca 0.08 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.82 3fpk h LYS 196 Cb 0.90 -0.13 -0.05 0.00 0.08 0.00 0.00 32.23 33.03 3fpk h LYS 196 CO 0.08 0.42 0.63 0.00 -0.57 0.00 0.00 179.45 180.01 3fpk h ALA 197 N 1.15 1.23 0.12 3.86 0.00 -0.76 -3.05 119.26 121.82 3fpk h ALA 197 Ca 0.16 -0.08 -0.28 0.00 0.00 0.00 0.00 54.91 54.72 3fpk h ALA 197 Cb -0.05 -0.39 -0.00 0.00 0.00 0.00 0.00 17.79 17.35 3fpk h ALA 197 CO -0.03 0.64 -1.32 0.28 0.00 0.00 0.00 179.25 178.82 3fpk h VAL 198 N 1.32 1.40 0.00 0.00 2.07 -1.06 -3.48 116.25 116.51 3fpk h VAL 198 Ca 0.35 -3.01 0.00 0.00 0.82 0.00 0.00 66.70 64.87 3fpk h VAL 198 Cb -0.13 2.88 0.00 0.00 -1.52 0.00 0.00 31.29 32.52 3fpk h VAL 198 CO -0.07 0.87 0.00 0.61 0.02 0.00 0.00 177.57 178.99 3fpk n GLY 199 N 1.56 0.62 2.91 2.17 0.00 0.53 -5.04 105.19 107.95 3fpk n GLY 199 Ca -0.10 -0.75 -0.12 0.00 0.00 0.00 0.00 46.02 45.05 3fpk n GLY 199 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fpk s LEU 200 N 0.00 2.06 0.47 0.99 1.43 -1.12 -5.04 118.68 117.47 3fpk s LEU 200 Ca 0.00 -0.14 -0.21 0.00 -1.03 0.00 0.00 54.13 52.75 3fpk s LEU 200 Cb 0.00 -0.02 -0.09 0.00 0.03 0.00 0.00 46.19 46.12 3fpk s LEU 200 CO 0.00 -0.06 1.04 -2.16 0.23 0.00 0.00 176.35 175.40 3fpk s PRO 201 N -0.39 3.87 -0.42 1.29 0.04 -1.26 -4.57 135.00 133.57 3fpk s PRO 201 Ca -0.04 1.40 -0.10 0.00 0.04 0.00 0.00 61.00 62.30 3fpk s PRO 201 Cb -0.03 -2.18 0.07 0.00 0.04 0.00 0.00 34.50 32.40 3fpk s PRO 201 CO -0.00 -0.38 0.26 1.41 0.04 0.00 0.00 177.00 178.33 3fpk s MET 202 N -3.09 2.64 0.26 4.56 1.75 -1.26 -4.83 119.30 119.34 3fpk s MET 202 Ca 0.65 -1.42 -0.13 0.00 -1.25 0.00 0.00 55.69 53.54 3fpk s MET 202 Cb -0.18 -3.79 0.00 0.00 2.84 0.00 0.00 34.83 33.71 3fpk s MET 202 CO 0.21 -0.93 0.52 0.16 -0.65 0.00 0.00 175.02 174.33 3fpk s ASP 203 N 2.09 -0.04 0.45 1.11 1.47 -1.26 -5.03 116.67 115.45 3fpk s ASP 203 Ca 0.03 -0.94 0.24 0.00 1.18 0.00 0.00 52.55 53.07 3fpk s ASP 203 Cb -0.23 0.62 0.96 0.00 -0.34 0.00 0.00 42.92 43.94 3fpk s ASP 203 CO 0.03 -1.20 1.84 0.07 0.68 0.00 0.00 175.17 176.59 3fpk h LYS 204 N 2.20 0.00 -0.13 2.11 2.10 -1.88 -1.83 116.57 119.15 3fpk h LYS 204 Ca -0.26 0.00 -0.19 0.00 -2.00 0.00 0.00 60.65 58.20 3fpk h LYS 204 Cb 1.25 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.58 3fpk h LYS 204 CO 0.34 0.21 -0.71 0.93 -2.00 0.00 0.00 179.45 178.22 3fpk h GLU 205 N 0.00 0.57 0.00 0.07 3.07 -1.96 -3.39 114.58 112.93 3fpk h GLU 205 Ca -0.00 -0.44 0.00 0.00 -0.50 0.00 0.00 59.36 58.41 3fpk h GLU 205 Cb 0.72 0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.71 3fpk h GLU 205 CO 0.03 1.07 -1.34 0.25 -1.40 0.00 0.00 179.01 177.62 3fpk n THR 206 N -3.89 0.00 -4.37 1.13 -2.24 -1.15 -4.79 114.28 98.97 3fpk n THR 206 Ca -0.05 -0.21 -0.27 0.00 -2.27 0.00 0.00 64.05 61.25 3fpk n THR 206 Cb 0.70 0.35 -0.11 0.00 -2.10 0.00 0.00 70.33 69.17 3fpk n THR 206 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3fpk s SER 207 N -2.93 3.73 0.08 3.42 0.01 -0.70 -0.02 113.70 117.28 3fpk s SER 207 Ca -0.03 -0.75 0.09 0.00 1.31 0.00 0.00 55.95 56.57 3fpk s SER 207 Cb 0.06 -0.42 -0.03 0.00 0.21 0.00 0.00 66.02 65.83 3fpk s SER 207 CO 0.36 0.12 -0.23 -2.28 0.41 0.00 0.00 173.24 171.63 3fpk s HIS 208 N -1.63 1.98 -0.12 2.43 2.46 -0.55 -4.82 115.29 115.04 3fpk s HIS 208 Ca 0.22 -0.39 0.01 0.00 0.47 0.00 0.00 55.06 55.36 3fpk s HIS 208 Cb -0.08 -1.14 0.02 0.00 -0.13 0.00 0.00 32.58 31.25 3fpk s HIS 208 CO 0.11 0.17 -0.13 0.08 -2.47 0.00 0.00 174.74 172.51 3fpk s VAL 209 N -0.95 1.41 -0.14 0.89 1.01 0.68 -0.98 120.40 122.31 3fpk s VAL 209 Ca 0.09 -0.56 -0.09 0.00 0.00 0.00 0.00 61.98 61.42 3fpk s VAL 209 Cb -0.10 -1.32 -0.04 0.00 0.00 0.00 0.00 36.38 34.92 3fpk s VAL 209 CO 0.03 0.43 0.17 -0.04 0.00 0.00 0.00 175.10 175.69 3fpk s MET 210 N 1.27 3.77 -0.08 2.72 -1.94 0.83 -1.28 119.30 124.59 3fpk s MET 210 Ca -0.01 -0.09 0.01 0.00 -1.71 0.00 0.00 55.69 53.89 3fpk s MET 210 Cb -0.14 -3.28 0.02 0.00 2.01 0.00 0.00 34.83 33.44 3fpk s MET 210 CO -0.06 0.58 -0.11 -0.51 -0.01 0.00 0.00 175.02 174.92 3fpk s LEU 211 N -0.49 1.52 -0.03 -0.03 1.02 0.53 -1.11 118.68 120.09 3fpk s LEU 211 Ca 0.14 -0.30 0.01 0.00 0.02 0.00 0.00 54.13 54.00 3fpk s LEU 211 Cb -0.12 -0.84 0.01 0.00 0.02 0.00 0.00 46.19 45.26 3fpk s LEU 211 CO 0.03 -0.01 -0.04 0.00 0.02 0.00 0.00 176.35 176.34 3fpk n GLY 213 N 3.65 0.19 3.67 0.00 0.00 -0.67 -2.50 105.19 109.54 3fpk n GLY 213 Ca -0.21 -1.28 -0.43 0.00 0.00 0.00 0.00 46.02 44.09 3fpk n GLY 213 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3fpk n ASN 214 N 0.00 3.99 0.13 1.61 2.85 -1.26 -1.32 115.26 121.26 3fpk n ASN 214 Ca 0.00 0.94 0.10 0.00 -0.11 0.00 0.00 54.58 55.51 3fpk n ASN 214 Cb 0.00 -1.50 0.60 0.00 1.24 0.00 0.00 39.78 40.12 3fpk n ASN 214 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3fpk h PRO 215 N 9.85 0.13 0.10 1.20 0.13 -1.96 -0.86 132.00 140.59 3fpk h PRO 215 Ca -0.49 -0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 64.63 3fpk h PRO 215 Cb 1.24 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3fpk h PRO 215 CO 0.94 0.08 -0.05 0.37 -0.23 0.00 0.00 178.00 179.12 3fpk h GLN 216 N 0.13 -0.13 -0.16 0.86 4.15 -1.94 0.34 115.11 118.37 3fpk h GLN 216 Ca 0.10 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.54 3fpk h GLN 216 Cb 0.25 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.96 3fpk h GLN 216 CO -0.01 -0.00 0.09 1.98 -1.93 0.00 0.00 178.83 178.96 3fpk h MET 217 N -0.22 0.19 0.34 1.69 4.05 -1.69 0.03 114.93 119.33 3fpk h MET 217 Ca -0.01 -0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.38 3fpk h MET 217 Cb 0.18 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 30.94 3fpk h MET 217 CO 0.02 0.13 -0.16 0.28 0.23 0.00 0.00 176.91 177.40 3fpk h VAL 218 N 0.20 0.68 -0.07 -5.77 2.07 -1.01 -1.37 116.25 110.98 3fpk h VAL 218 Ca 0.06 -0.14 0.01 0.00 0.82 0.00 0.00 66.70 67.44 3fpk h VAL 218 Cb -0.01 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 3fpk h VAL 218 CO -0.02 0.03 0.03 0.03 0.02 0.00 0.00 177.57 177.65 3fpk h ARG 219 N -0.54 0.06 -0.66 1.57 3.08 -0.27 -0.97 114.38 116.65 3fpk h ARG 219 Ca -0.05 -0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.95 3fpk h ARG 219 Cb 0.40 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.41 3fpk h ARG 219 CO 0.08 0.04 0.23 -0.44 -1.07 0.00 0.00 179.97 178.81 3fpk h ASP 220 N 0.06 0.92 -0.20 7.04 3.32 -0.98 -0.00 116.42 126.58 3fpk h ASP 220 Ca 0.03 -0.15 -0.09 0.00 0.02 0.00 0.00 57.03 56.84 3fpk h ASP 220 Cb 0.01 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.32 3fpk h ASP 220 CO -0.03 0.84 -0.23 0.74 -1.72 0.00 0.00 179.24 178.85 3fpk h THR 221 N 0.97 1.33 -0.50 0.35 2.02 -1.07 -1.75 112.91 114.25 3fpk h THR 221 Ca 0.22 -1.40 -0.04 0.00 0.77 0.00 0.00 66.41 65.96 3fpk h THR 221 Cb 0.24 1.78 -0.02 0.00 -1.74 0.00 0.00 68.15 68.41 3fpk h THR 221 CO -0.01 0.43 0.15 1.56 0.37 0.00 0.00 175.52 178.01 3fpk h GLN 222 N 0.18 0.75 -0.41 6.66 4.20 -0.98 -0.62 115.11 124.88 3fpk h GLN 222 Ca 0.03 -0.13 -0.10 0.00 0.06 0.00 0.00 58.65 58.50 3fpk h GLN 222 Cb 0.78 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.43 3fpk h GLN 222 CO 0.05 0.66 -0.14 0.37 -0.67 0.00 0.00 178.83 179.10 3fpk h GLN 223 N 0.73 0.83 -0.20 1.46 4.15 -0.89 -0.76 115.11 120.43 3fpk h GLN 223 Ca 0.17 -0.34 -0.00 0.00 0.77 0.00 0.00 58.65 59.25 3fpk h GLN 223 Cb 0.23 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.88 3fpk h GLN 223 CO -0.01 0.97 0.12 1.25 -1.93 0.00 0.00 178.83 179.23 3fpk h LEU 224 N 0.65 0.25 -0.80 -2.39 5.85 -0.97 -0.86 115.31 117.03 3fpk h LEU 224 Ca 0.10 -0.06 -0.11 0.00 0.84 0.00 0.00 57.88 58.64 3fpk h LEU 224 Cb 0.69 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.64 3fpk h LEU 224 CO 0.05 0.24 -0.30 -0.07 -0.34 0.00 0.00 178.44 178.02 3fpk h LEU 225 N 0.23 0.57 0.15 2.25 3.38 -1.03 -0.24 115.31 120.63 3fpk h LEU 225 Ca 0.07 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 3fpk h LEU 225 Cb 0.04 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.64 3fpk h LEU 225 CO -0.01 0.84 -0.07 0.50 0.09 0.00 0.00 178.44 179.79 3fpk h LYS 226 N 0.48 -0.20 -0.03 1.13 3.64 -1.01 -1.41 116.57 119.17 3fpk h LYS 226 Ca 0.06 0.01 -0.17 0.00 -1.27 0.00 0.00 60.65 59.29 3fpk h LYS 226 Cb 0.76 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.61 3fpk h LYS 226 CO 0.06 0.08 -0.73 0.93 -2.27 0.00 0.00 179.45 177.52 3fpk h GLU 227 N -0.48 0.19 0.00 1.90 5.08 -1.08 -3.09 114.58 117.10 3fpk h GLU 227 Ca -0.02 -0.16 -0.09 0.00 -1.00 0.00 0.00 59.36 58.09 3fpk h GLU 227 Cb 0.37 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 3fpk h GLU 227 CO 0.03 0.83 -1.79 0.25 -1.00 0.00 0.00 179.01 177.34 3fpk n THR 228 N -3.76 0.32 -0.02 1.13 -2.24 -0.11 -4.67 114.28 104.93 3fpk n THR 228 Ca -0.03 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 3fpk n THR 228 Cb 0.70 -0.10 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 3fpk n THR 228 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3fpk n ARG 229 N -2.19 1.48 -3.43 -0.78 1.74 -0.59 -5.00 116.66 107.88 3fpk n ARG 229 Ca -0.09 -1.11 -0.25 0.00 -0.77 0.00 0.00 57.85 55.63 3fpk n ARG 229 Cb 0.58 -0.99 0.03 0.00 -1.02 0.00 0.00 32.46 31.06 3fpk n ARG 229 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3fpk n GLN 230 N -0.31 -4.94 -3.86 5.56 3.00 -1.03 -4.30 117.38 111.51 3fpk n GLN 230 Ca 0.00 0.68 -0.36 0.00 -0.01 0.00 0.00 57.00 57.32 3fpk n GLN 230 Cb 0.16 -5.53 -0.06 0.00 0.00 0.00 0.00 30.24 24.82 3fpk n GLN 230 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.06 175.42 3fpk s MET 231 N -6.12 3.48 0.31 -1.09 -1.94 -0.85 -4.89 119.30 108.19 3fpk s MET 231 Ca 0.46 -0.17 0.11 0.00 -1.71 0.00 0.00 55.69 54.39 3fpk s MET 231 Cb -0.23 -3.15 -0.06 0.00 2.01 0.00 0.00 34.83 33.41 3fpk s MET 231 CO 0.57 0.73 -0.15 0.95 -0.01 0.00 0.00 175.02 177.11 3fpk s THR 232 N -1.16 2.37 0.24 2.05 -4.23 -1.26 -3.59 115.64 110.05 3fpk s THR 232 Ca 0.21 -2.31 -0.30 0.00 -1.18 0.00 0.00 61.69 58.10 3fpk s THR 232 Cb -0.13 -2.46 -0.10 0.00 1.34 0.00 0.00 72.50 71.15 3fpk s THR 232 CO 0.11 -0.31 1.50 -0.54 -0.54 0.00 0.00 174.62 174.84 3fpk s LYS 233 N -3.56 4.22 0.01 3.99 1.02 -1.26 -0.56 119.74 123.60 3fpk s LYS 233 Ca 0.31 2.38 -0.28 0.00 0.02 0.00 0.00 55.97 58.40 3fpk s LYS 233 Cb -0.02 -3.10 -0.04 0.00 -0.52 0.00 0.00 37.83 34.16 3fpk s LYS 233 CO 0.16 -0.51 0.88 -1.58 -0.92 0.00 0.00 175.35 173.38 3fpk s HIS 234 N 0.24 3.68 0.04 3.18 5.65 0.26 -4.43 115.29 123.92 3fpk s HIS 234 Ca 0.63 1.58 0.04 0.00 0.25 0.00 0.00 55.06 57.56 3fpk s HIS 234 Cb -0.44 -2.99 -0.02 0.00 -1.18 0.00 0.00 32.58 27.95 3fpk s HIS 234 CO 0.42 0.09 -0.12 -0.51 -0.65 0.00 0.00 174.74 173.97 3fpk s LEU 235 N 0.65 2.20 0.26 8.88 1.43 -0.72 -4.90 118.68 126.47 3fpk s LEU 235 Ca 0.46 -0.48 -0.02 0.00 -1.03 0.00 0.00 54.13 53.06 3fpk s LEU 235 Cb -0.21 -0.46 0.48 0.00 0.03 0.00 0.00 46.19 46.04 3fpk s LEU 235 CO 0.25 -0.04 1.79 -0.09 0.23 0.00 0.00 176.35 178.50 3fpk h ARG 236 N 4.80 0.72 0.00 1.70 2.43 -1.97 -1.73 114.38 120.33 3fpk h ARG 236 Ca -0.37 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.75 3fpk h ARG 236 Cb 1.19 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.58 3fpk h ARG 236 CO 0.43 0.48 -0.25 0.00 -1.51 0.00 0.00 179.97 179.12 3fpk h ARG 237 N 0.74 0.00 -2.71 0.20 3.08 -2.02 -3.40 114.38 110.27 3fpk h ARG 237 Ca 0.44 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.91 3fpk h ARG 237 Cb 0.52 0.00 -0.39 0.00 0.08 0.00 0.00 29.97 30.18 3fpk h ARG 237 CO -0.30 0.00 -0.82 1.03 -1.07 0.00 0.00 179.97 178.81 3fpk s ARG 238 N -3.23 0.70 0.44 0.04 1.81 -0.68 -5.13 118.95 112.90 3fpk s ARG 238 Ca 0.06 -1.44 -0.26 0.00 -1.72 0.00 0.00 55.73 52.37 3fpk s ARG 238 Cb 0.07 -1.55 -0.09 0.00 -0.45 0.00 0.00 34.95 32.93 3fpk s ARG 238 CO 0.69 -1.18 1.39 -2.30 -0.68 0.00 0.00 175.30 173.22 3fpk n PRO 239 N 4.01 2.19 -0.51 3.54 -0.02 -1.05 -1.76 135.00 141.40 3fpk n PRO 239 Ca 0.10 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.36 3fpk n PRO 239 Cb 0.37 -2.57 0.00 0.00 -0.02 0.00 0.00 33.50 31.28 3fpk n PRO 239 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fpk n GLY 240 N 0.63 2.47 0.05 -1.23 0.00 -1.26 -4.81 105.19 101.04 3fpk n GLY 240 Ca 0.05 -0.88 0.02 0.00 0.00 0.00 0.00 46.02 45.20 3fpk n GLY 240 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3fpk n HIS 241 N 0.00 0.00 -4.27 1.61 8.25 0.27 -4.57 115.22 116.51 3fpk n HIS 241 Ca 0.00 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.29 3fpk n HIS 241 Cb 0.00 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 30.97 3fpk n HIS 241 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 3fpk s MET 242 N -0.97 0.60 -0.05 -0.41 -1.94 -0.58 -0.23 119.30 115.70 3fpk s MET 242 Ca 0.02 -0.29 0.02 0.00 -1.71 0.00 0.00 55.69 53.73 3fpk s MET 242 Cb 0.03 -0.57 0.01 0.00 2.01 0.00 0.00 34.83 36.31 3fpk s MET 242 CO 0.10 0.16 -0.10 0.99 -0.01 0.00 0.00 175.02 176.16 3fpk s THR 243 N -0.23 0.95 0.02 2.05 2.01 -0.41 -0.57 115.64 119.46 3fpk s THR 243 Ca 0.02 -0.39 0.04 0.00 0.31 0.00 0.00 61.69 61.68 3fpk s THR 243 Cb -0.03 -0.88 -0.02 0.00 0.01 0.00 0.00 72.50 71.58 3fpk s THR 243 CO -0.00 0.31 -0.12 0.00 -0.69 0.00 0.00 174.62 174.12 3fpk s ALA 244 N 0.62 1.00 -0.21 7.40 0.00 -1.26 -0.35 121.76 128.96 3fpk s ALA 244 Ca -0.12 -0.65 -0.03 0.00 0.00 0.00 0.00 51.96 51.16 3fpk s ALA 244 Cb -0.14 -0.19 0.07 0.00 0.00 0.00 0.00 23.12 22.86 3fpk s ALA 244 CO 0.02 0.20 0.06 -2.00 0.00 0.00 0.00 175.76 174.05 3fpk s GLU 245 N -0.75 0.51 0.19 0.00 2.12 -0.02 -4.97 118.70 115.78 3fpk s GLU 245 Ca 0.02 -0.45 -0.30 0.00 0.36 0.00 0.00 54.97 54.60 3fpk s GLU 245 Cb -0.06 -1.95 -0.08 0.00 0.26 0.00 0.00 34.13 32.30 3fpk s GLU 245 CO 0.00 -0.73 1.06 -1.01 -0.54 0.00 0.00 175.26 174.05 3fpk s HIS 246 N 1.90 3.67 -0.39 5.30 3.76 -1.26 -1.68 115.29 126.59 3fpk s HIS 246 Ca 0.02 1.68 0.23 0.00 -0.15 0.00 0.00 55.06 56.84 3fpk s HIS 246 Cb -0.17 -3.21 0.15 0.00 1.11 0.00 0.00 32.58 30.46 3fpk s HIS 246 CO -0.13 -0.37 1.19 1.88 -0.85 0.00 0.00 174.74 176.46 3fpk h TYR 247 N 4.85 0.00 0.00 1.40 -1.99 -1.57 -3.46 116.97 116.21 3fpk h TYR 247 Ca -0.45 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.28 3fpk h TYR 247 Cb 1.21 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.94 3fpk h TYR 247 CO 0.62 0.00 0.00 -2.67 -0.00 0.00 0.00 178.16 176.11