#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fun n THR 2 N 0.00 0.00 -3.76 0.00 -2.24 -1.26 -4.71 114.28 102.31 1fun n THR 2 Ca 0.00 -0.35 -0.13 0.00 -2.27 0.00 0.00 64.05 61.30 1fun n THR 2 Cb 0.00 0.92 -0.13 0.00 -2.10 0.00 0.00 70.33 69.02 1fun n THR 2 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1fun s LYS 3 N -1.58 0.19 0.07 -0.78 1.02 -1.26 -0.52 119.74 116.88 1fun s LYS 3 Ca 0.01 0.39 0.00 0.00 0.02 0.00 0.00 55.97 56.40 1fun s LYS 3 Cb 0.04 -0.04 -0.04 0.00 -0.52 0.00 0.00 37.83 37.27 1fun s LYS 3 CO 0.20 -0.11 -0.05 0.00 -0.92 0.00 0.00 175.35 174.47 1fun s ALA 4 N 0.78 0.66 0.02 5.17 0.00 0.24 -1.89 121.76 126.74 1fun s ALA 4 Ca -0.06 -1.18 0.01 0.00 0.00 0.00 0.00 51.96 50.73 1fun s ALA 4 Cb -0.07 0.20 -0.02 0.00 0.00 0.00 0.00 23.12 23.23 1fun s ALA 4 CO -0.04 -0.28 -0.04 0.54 0.00 0.00 0.00 175.76 175.94 1fun s VAL 5 N -3.42 0.22 -0.04 0.00 0.11 -0.09 0.01 120.40 117.20 1fun s VAL 5 Ca 0.06 -0.85 0.01 0.00 -2.93 0.00 0.00 61.98 58.27 1fun s VAL 5 Cb 0.04 -0.33 0.02 0.00 -1.53 0.00 0.00 36.38 34.58 1fun s VAL 5 CO -0.07 -0.40 -0.04 0.00 -3.33 0.00 0.00 175.10 171.27 1fun s ALA 6 N -1.26 0.63 -0.38 1.54 0.00 0.47 -1.53 121.76 121.24 1fun s ALA 6 Ca -0.12 -0.03 -0.12 0.00 0.00 0.00 0.00 51.96 51.68 1fun s ALA 6 Cb -0.09 -0.43 0.02 0.00 0.00 0.00 0.00 23.12 22.62 1fun s ALA 6 CO -0.01 -0.05 0.23 0.08 0.00 0.00 0.00 175.76 176.02 1fun s VAL 7 N 0.99 4.81 -0.23 0.00 1.01 -1.26 -1.35 120.40 124.37 1fun s VAL 7 Ca -0.10 -0.75 -0.28 0.00 0.00 0.00 0.00 61.98 60.85 1fun s VAL 7 Cb -0.14 -3.66 0.01 0.00 0.00 0.00 0.00 36.38 32.59 1fun s VAL 7 CO -0.00 -0.23 0.99 -0.76 0.00 0.00 0.00 175.10 175.10 1fun s LEU 8 N 1.60 4.09 0.26 3.92 1.43 -0.39 -4.16 118.68 125.43 1fun s LEU 8 Ca 0.03 1.29 0.07 0.00 -1.03 0.00 0.00 54.13 54.50 1fun s LEU 8 Cb -0.19 -3.45 -0.05 0.00 0.03 0.00 0.00 46.19 42.52 1fun s LEU 8 CO 0.08 -0.63 -0.09 -0.54 0.23 0.00 0.00 176.35 175.40 1fun s LYS 9 N 3.12 1.48 0.00 1.70 1.02 -0.55 -2.44 119.74 124.07 1fun s LYS 9 Ca 0.42 -1.72 0.00 0.00 0.02 0.00 0.00 55.97 54.68 1fun s LYS 9 Cb -0.15 -1.15 0.00 0.00 -0.52 0.00 0.00 37.83 36.01 1fun s LYS 9 CO 0.06 0.09 0.00 0.41 -0.92 0.00 0.00 175.35 174.99 1fun n GLY 10 N -0.52 2.46 0.13 -3.33 0.00 -1.25 -0.54 105.19 102.15 1fun n GLY 10 Ca -0.06 -0.85 -0.22 0.00 0.00 0.00 0.00 46.02 44.89 1fun n GLY 10 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1fun h ASP 11 N 0.00 0.42 0.00 1.61 3.32 -1.88 -3.48 116.42 116.41 1fun h ASP 11 Ca 0.00 -0.89 0.00 0.00 0.02 0.00 0.00 57.03 56.16 1fun h ASP 11 Cb 0.00 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.41 1fun h ASP 11 CO 0.00 1.76 0.00 0.61 -1.72 0.00 0.00 179.24 179.89 1fun n GLY 12 N 1.85 -1.20 0.01 2.75 0.00 -1.26 -4.92 105.19 102.42 1fun n GLY 12 Ca -0.29 -1.51 0.14 0.00 0.00 0.00 0.00 46.02 44.37 1fun n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1fun n PRO 13 N 0.00 0.19 -1.94 1.61 -0.04 -1.26 -4.84 135.00 128.71 1fun n PRO 13 Ca 0.00 -0.03 -0.42 0.00 -0.04 0.00 0.00 63.50 63.01 1fun n PRO 13 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 1fun n PRO 13 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1fun s VAL 14 N -2.83 3.16 0.03 0.52 1.01 -1.26 -4.49 120.40 116.54 1fun s VAL 14 Ca 0.19 0.53 -0.27 0.00 0.00 0.00 0.00 61.98 62.44 1fun s VAL 14 Cb 0.19 -3.34 0.07 0.00 0.00 0.00 0.00 36.38 33.30 1fun s VAL 14 CO 0.52 -0.01 0.62 0.00 0.00 0.00 0.00 175.10 176.24 1fun s GLN 15 N 2.92 1.11 -0.03 2.72 -2.07 -0.83 -3.82 119.66 119.67 1fun s GLN 15 Ca 0.74 -0.04 -0.29 0.00 -1.82 0.00 0.00 55.36 53.95 1fun s GLN 15 Cb -0.38 0.52 0.10 0.00 -1.09 0.00 0.00 33.01 32.16 1fun s GLN 15 CO 0.32 -0.40 1.31 0.20 -1.32 0.00 0.00 175.29 175.40 1fun s GLY 16 N -1.76 -0.20 -0.06 2.60 0.00 -1.02 -0.84 107.32 106.04 1fun s GLY 16 Ca -0.07 0.19 0.01 0.00 0.00 0.00 0.00 44.72 44.85 1fun s GLY 16 CO 0.01 4.77 -0.06 -0.42 0.00 0.00 0.00 173.10 177.41 1fun s ILE 17 N -2.07 0.73 -0.11 0.90 1.01 0.16 -1.26 121.20 120.56 1fun s ILE 17 Ca 0.27 -0.20 0.03 0.00 0.00 0.00 0.00 60.65 60.75 1fun s ILE 17 Cb 0.01 -0.74 0.01 0.00 0.01 0.00 0.00 42.46 41.74 1fun s ILE 17 CO -0.02 0.28 -0.20 -0.63 0.00 0.00 0.00 174.94 174.38 1fun s ILE 18 N 1.13 1.80 0.03 2.92 -1.09 -0.45 -1.80 121.20 123.73 1fun s ILE 18 Ca -0.07 -0.84 0.01 0.00 -2.23 0.00 0.00 60.65 57.51 1fun s ILE 18 Cb -0.14 -1.59 -0.04 0.00 -1.58 0.00 0.00 42.46 39.11 1fun s ILE 18 CO -0.01 0.50 0.10 0.20 -1.23 0.00 0.00 174.94 174.50 1fun s ASN 19 N 0.68 5.74 -0.07 3.58 0.01 0.33 -0.39 114.94 124.82 1fun s ASN 19 Ca -0.12 0.12 0.03 0.00 -0.71 0.00 0.00 52.86 52.19 1fun s ASN 19 Cb -0.16 -1.64 0.01 0.00 0.41 0.00 0.00 41.25 39.86 1fun s ASN 19 CO 0.03 0.23 -0.16 -0.36 -1.51 0.00 0.00 177.10 175.32 1fun s PHE 20 N -1.29 1.78 -0.02 2.20 0.40 0.10 -0.98 117.98 120.17 1fun s PHE 20 Ca 0.26 -0.64 0.02 0.00 -0.60 0.00 0.00 56.93 55.97 1fun s PHE 20 Cb -0.12 -1.24 0.01 0.00 0.51 0.00 0.00 43.02 42.18 1fun s PHE 20 CO 0.18 -0.28 -0.06 -2.00 0.70 0.00 0.00 175.22 173.76 1fun s GLU 21 N 0.42 0.69 -0.20 0.44 2.12 -0.18 -0.60 118.70 121.39 1fun s GLU 21 Ca -0.13 -0.17 -0.03 0.00 0.36 0.00 0.00 54.97 55.00 1fun s GLU 21 Cb -0.15 -0.68 0.06 0.00 0.26 0.00 0.00 34.13 33.62 1fun s GLU 21 CO 0.05 0.03 0.05 -1.14 -0.54 0.00 0.00 175.26 173.71 1fun s GLN 22 N 0.39 0.55 0.42 4.30 0.74 0.32 -0.29 119.66 126.10 1fun s GLN 22 Ca -0.05 -0.41 0.12 0.00 0.05 0.00 0.00 55.36 55.07 1fun s GLN 22 Cb -0.09 -2.03 0.92 0.00 1.10 0.00 0.00 33.01 32.91 1fun s GLN 22 CO -0.00 -0.68 1.98 0.87 -0.55 0.00 0.00 175.29 176.91 1fun h LYS 23 N 8.27 0.13 -1.86 1.67 1.57 -1.82 -3.41 116.57 121.13 1fun h LYS 23 Ca -0.16 -0.03 0.04 0.00 -1.87 0.00 0.00 60.65 58.63 1fun h LYS 23 Cb 1.11 -0.02 -0.23 0.00 0.08 0.00 0.00 32.23 33.17 1fun h LYS 23 CO 0.34 0.26 0.16 -1.83 -0.57 0.00 0.00 179.45 177.81 1fun s GLU 24 N -4.76 0.63 0.00 3.15 -1.05 -1.26 -5.04 118.70 110.37 1fun s GLU 24 Ca -0.05 1.01 -0.00 0.00 -0.15 0.00 0.00 54.97 55.78 1fun s GLU 24 Cb 0.16 0.17 -0.00 0.00 -0.44 0.00 0.00 34.13 34.02 1fun s GLU 24 CO 0.71 -0.12 0.00 -1.13 0.95 0.00 0.00 175.26 175.67 1fun n SER 25 N 3.80 -0.00 0.23 0.83 3.41 -1.26 0.27 113.62 120.89 1fun n SER 25 Ca -0.18 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 58.50 1fun n SER 25 Cb 0.58 -0.00 0.55 0.00 -0.26 0.00 0.00 64.21 65.08 1fun n SER 25 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1fun h ASN 26 N 0.00 0.00 -3.99 4.04 -1.07 -1.99 -3.46 115.58 109.10 1fun h ASN 26 Ca 0.00 0.00 -0.50 0.00 0.07 0.00 0.00 56.30 55.87 1fun h ASN 26 Cb 0.00 0.00 0.20 0.00 -2.07 0.00 0.00 38.32 36.45 1fun h ASN 26 CO -0.00 0.20 0.17 -0.83 0.07 0.00 0.00 177.43 177.04 1fun s GLY 27 N -4.22 1.65 0.40 9.14 0.00 0.77 -5.02 107.32 110.04 1fun s GLY 27 Ca -0.03 0.38 -0.23 0.00 0.00 0.00 0.00 44.72 44.84 1fun s GLY 27 CO 0.66 0.88 0.99 2.56 0.00 0.00 0.00 173.10 178.19 1fun s PRO 28 N -4.61 4.23 -0.11 2.90 0.04 -1.26 -4.88 135.00 131.31 1fun s PRO 28 Ca 0.67 1.32 -0.15 0.00 0.04 0.00 0.00 61.00 62.88 1fun s PRO 28 Cb -0.23 -2.42 -0.05 0.00 0.04 0.00 0.00 34.50 31.85 1fun s PRO 28 CO 0.60 -0.05 0.37 0.08 0.04 0.00 0.00 177.00 178.03 1fun s VAL 29 N -1.87 5.22 -0.17 -0.36 1.01 0.29 -4.50 120.40 120.03 1fun s VAL 29 Ca 0.59 0.72 -0.13 0.00 0.00 0.00 0.00 61.98 63.15 1fun s VAL 29 Cb -0.16 -3.69 -0.05 0.00 0.00 0.00 0.00 36.38 32.48 1fun s VAL 29 CO 0.21 0.42 0.28 -0.54 0.00 0.00 0.00 175.10 175.46 1fun s LYS 30 N 0.13 4.25 -0.23 2.72 1.02 0.61 -0.86 119.74 127.38 1fun s LYS 30 Ca 0.21 0.06 -0.02 0.00 0.02 0.00 0.00 55.97 56.23 1fun s LYS 30 Cb -0.14 -3.43 0.01 0.00 -0.52 0.00 0.00 37.83 33.74 1fun s LYS 30 CO 0.08 0.23 -0.07 0.08 -0.92 0.00 0.00 175.35 174.75 1fun s VAL 31 N 0.51 3.02 -0.01 3.17 1.01 -0.30 -1.01 120.40 126.79 1fun s VAL 31 Ca 0.15 -0.75 -0.02 0.00 0.00 0.00 0.00 61.98 61.36 1fun s VAL 31 Cb -0.13 -2.43 0.00 0.00 0.00 0.00 0.00 36.38 33.83 1fun s VAL 31 CO 0.03 0.35 0.05 -1.66 0.00 0.00 0.00 175.10 173.87 1fun s TRP 32 N 1.40 -0.01 -2.27 5.22 -2.14 -0.15 -1.75 118.94 119.25 1fun s TRP 32 Ca 0.04 0.03 0.00 0.00 2.66 0.00 0.00 56.10 58.83 1fun s TRP 32 Cb -0.15 -0.02 0.00 0.00 -3.10 0.00 0.00 33.47 30.20 1fun s TRP 32 CO -0.05 -0.07 0.00 0.41 -2.66 0.00 0.00 176.95 174.58 1fun n GLY 33 N 2.71 -0.83 3.09 3.67 0.00 -1.13 -0.51 105.19 112.19 1fun n GLY 33 Ca -0.15 -0.89 -0.16 0.00 0.00 0.00 0.00 46.02 44.82 1fun n GLY 33 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1fun s SER 34 N -4.00 1.19 -0.03 1.61 0.01 -0.75 0.03 113.70 111.77 1fun s SER 34 Ca 0.00 -0.47 0.01 0.00 1.31 0.00 0.00 55.95 56.80 1fun s SER 34 Cb 0.00 -0.03 0.02 0.00 0.21 0.00 0.00 66.02 66.21 1fun s SER 34 CO 0.00 -0.08 -0.03 -0.63 0.41 0.00 0.00 173.24 172.91 1fun s ILE 35 N -1.03 0.35 0.19 1.44 1.01 -0.82 -0.67 121.20 121.67 1fun s ILE 35 Ca -0.04 -0.07 0.11 0.00 0.00 0.00 0.00 60.65 60.65 1fun s ILE 35 Cb -0.08 -0.38 -0.04 0.00 0.01 0.00 0.00 42.46 41.96 1fun s ILE 35 CO 0.01 0.16 -0.21 -0.54 0.00 0.00 0.00 174.94 174.36 1fun s LYS 36 N 0.65 1.65 0.00 2.79 -0.14 -0.02 -0.94 119.74 123.73 1fun s LYS 36 Ca -0.07 -1.46 0.00 0.00 -1.36 0.00 0.00 55.97 53.08 1fun s LYS 36 Cb -0.11 -1.92 0.00 0.00 -1.68 0.00 0.00 37.83 34.12 1fun s LYS 36 CO -0.01 0.41 0.00 0.41 -0.76 0.00 0.00 175.35 175.40 1fun n GLY 37 N 0.22 0.91 3.74 -3.33 0.00 -0.61 -1.96 105.19 104.16 1fun n GLY 37 Ca -0.12 -0.36 -0.29 0.00 0.00 0.00 0.00 46.02 45.24 1fun n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1fun s LEU 38 N 0.00 3.65 0.48 0.99 1.43 -0.93 -4.16 118.68 120.13 1fun s LEU 38 Ca 0.00 -0.12 -0.22 0.00 -1.03 0.00 0.00 54.13 52.76 1fun s LEU 38 Cb 0.00 -2.33 -0.07 0.00 0.03 0.00 0.00 46.19 43.82 1fun s LEU 38 CO 0.00 0.15 1.17 0.42 0.23 0.00 0.00 176.35 178.32 1fun s THR 39 N -1.45 3.04 0.59 5.49 -4.23 -1.26 -3.91 115.64 113.90 1fun s THR 39 Ca 0.28 0.76 -0.19 0.00 -1.18 0.00 0.00 61.69 61.37 1fun s THR 39 Cb -0.11 -3.38 -0.04 0.00 1.34 0.00 0.00 72.50 70.31 1fun s THR 39 CO 0.21 -0.03 1.21 -1.83 -0.54 0.00 0.00 174.62 173.64 1fun s GLU 40 N -2.78 3.01 0.00 3.99 -1.05 -1.25 -4.63 118.70 115.99 1fun s GLU 40 Ca 0.65 1.83 0.00 0.00 -0.15 0.00 0.00 54.97 57.30 1fun s GLU 40 Cb -0.29 -1.95 0.00 0.00 -0.44 0.00 0.00 34.13 31.45 1fun s GLU 40 CO 0.35 -1.18 0.00 0.41 0.95 0.00 0.00 175.26 175.79 1fun n GLY 41 N 0.50 0.49 3.84 -3.83 0.00 -0.52 -4.92 105.19 100.76 1fun n GLY 41 Ca 0.13 -2.21 -0.35 0.00 0.00 0.00 0.00 46.02 43.60 1fun n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1fun s LEU 42 N 0.00 4.28 -0.05 0.99 1.43 -1.26 -1.25 118.68 122.82 1fun s LEU 42 Ca 0.00 1.14 -0.03 0.00 -1.03 0.00 0.00 54.13 54.21 1fun s LEU 42 Cb 0.00 -3.50 0.02 0.00 0.03 0.00 0.00 46.19 42.75 1fun s LEU 42 CO 0.00 0.02 0.11 -1.00 0.23 0.00 0.00 176.35 175.71 1fun s HIS 43 N -1.60 -0.11 0.47 0.29 3.76 -0.71 -3.34 115.29 114.06 1fun s HIS 43 Ca 0.42 0.34 -0.24 0.00 -0.15 0.00 0.00 55.06 55.43 1fun s HIS 43 Cb -0.14 -0.05 -0.08 0.00 1.11 0.00 0.00 32.58 33.42 1fun s HIS 43 CO 0.20 -0.11 1.30 0.41 -0.85 0.00 0.00 174.74 175.69 1fun n GLY 44 N 3.69 0.63 2.64 -2.22 0.00 -0.26 -1.41 105.19 108.26 1fun n GLY 44 Ca -0.20 0.12 -0.24 0.00 0.00 0.00 0.00 46.02 45.70 1fun n GLY 44 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1fun s PHE 45 N -1.24 0.12 0.10 1.61 5.36 0.45 -0.63 117.98 123.74 1fun s PHE 45 Ca 0.65 -0.15 -0.04 0.00 -0.96 0.00 0.00 56.93 56.42 1fun s PHE 45 Cb -0.47 -0.62 -0.02 0.00 -0.34 0.00 0.00 43.02 41.57 1fun s PHE 45 CO 0.55 -0.46 0.10 -1.01 -1.46 0.00 0.00 175.22 172.94 1fun s HIS 46 N 2.16 0.48 -0.34 10.12 3.76 -0.79 -2.62 115.29 128.06 1fun s HIS 46 Ca 0.03 -0.92 -0.08 0.00 -0.15 0.00 0.00 55.06 53.94 1fun s HIS 46 Cb -0.15 -0.26 0.03 0.00 1.11 0.00 0.00 32.58 33.30 1fun s HIS 46 CO -0.08 -0.51 0.13 0.08 -0.85 0.00 0.00 174.74 173.51 1fun s VAL 47 N -3.94 4.05 0.61 -0.90 1.01 -0.43 -0.98 120.40 119.83 1fun s VAL 47 Ca 0.12 -0.98 -0.09 0.00 0.00 0.00 0.00 61.98 61.03 1fun s VAL 47 Cb 0.06 -3.25 -0.02 0.00 0.00 0.00 0.00 36.38 33.17 1fun s VAL 47 CO -0.06 -0.15 0.98 -1.00 0.00 0.00 0.00 175.10 174.87 1fun s HIS 48 N 1.46 3.47 0.08 5.22 3.76 0.16 -1.39 115.29 128.05 1fun s HIS 48 Ca 0.00 1.03 -0.34 0.00 -0.15 0.00 0.00 55.06 55.60 1fun s HIS 48 Cb -0.19 -2.74 -0.17 0.00 1.11 0.00 0.00 32.58 30.59 1fun s HIS 48 CO 0.04 -0.77 1.60 1.49 -0.85 0.00 0.00 174.74 176.25 1fun h GLU 49 N -0.29 -0.91 -5.79 1.40 4.81 -0.17 -3.20 114.58 110.44 1fun h GLU 49 Ca -0.45 0.06 -0.64 0.00 -0.13 0.00 0.00 59.36 58.20 1fun h GLU 49 Cb 1.22 0.21 -0.06 0.00 0.63 0.00 0.00 28.75 30.75 1fun h GLU 49 CO 0.62 -0.61 -0.42 -0.06 -0.73 0.00 0.00 179.01 177.81 1fun s PHE 50 N -6.00 3.60 -0.43 0.92 0.08 -0.41 -4.61 117.98 111.13 1fun s PHE 50 Ca -0.18 0.56 -0.02 0.00 0.12 0.00 0.00 56.93 57.41 1fun s PHE 50 Cb 0.04 -1.97 0.21 0.00 -0.57 0.00 0.00 43.02 40.73 1fun s PHE 50 CO 0.62 0.67 2.22 0.41 -0.10 0.00 0.00 175.22 179.05 1fun n GLY 51 N 1.51 4.48 3.46 4.36 0.00 -0.99 -3.70 105.19 114.31 1fun n GLY 51 Ca -0.15 -1.54 -0.39 0.00 0.00 0.00 0.00 46.02 43.94 1fun n GLY 51 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1fun s ASP 52 N -0.12 5.66 -0.37 1.61 -1.08 -1.26 -4.90 116.67 116.21 1fun s ASP 52 Ca 0.44 -0.51 0.06 0.00 -0.52 0.00 0.00 52.55 52.02 1fun s ASP 52 Cb 0.33 -2.03 0.44 0.00 -1.46 0.00 0.00 42.92 40.20 1fun s ASP 52 CO -0.08 -0.21 1.15 0.59 0.52 0.00 0.00 175.17 177.14 1fun n ASN 53 N 5.01 4.77 0.06 -0.34 5.03 -1.26 -2.80 115.26 125.73 1fun n ASN 53 Ca -0.14 -3.71 -0.10 0.00 0.87 0.00 0.00 54.58 51.50 1fun n ASN 53 Cb 0.49 -0.40 0.00 0.00 -1.02 0.00 0.00 39.78 38.85 1fun n ASN 53 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.26 176.14 1fun h THR 54 N 2.42 1.41 -1.44 3.41 1.35 -1.93 -3.06 112.91 115.06 1fun h THR 54 Ca 0.33 -2.30 -0.65 0.00 -0.55 0.00 0.00 66.41 63.24 1fun h THR 54 Cb 1.22 2.25 -0.36 0.00 -1.73 0.00 0.00 68.15 69.53 1fun h THR 54 CO 0.80 0.69 -0.01 0.00 -0.25 0.00 0.00 175.52 176.75 1fun n ALA 55 N -2.51 5.66 -0.76 6.62 0.00 -1.26 -5.05 120.51 123.21 1fun n ALA 55 Ca -0.05 -4.05 0.00 0.00 0.00 0.00 0.00 53.44 49.34 1fun n ALA 55 Cb 0.76 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 19.12 1fun n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fun n GLY 56 N -0.60 2.68 0.17 0.00 0.00 -1.16 -2.69 105.19 103.59 1fun n GLY 56 Ca 0.48 -0.32 0.12 0.00 0.00 0.00 0.00 46.02 46.29 1fun n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fun h THR 58 N 0.00 1.23 0.00 0.00 2.02 -1.86 -2.29 112.91 112.01 1fun h THR 58 Ca -0.00 -1.04 0.00 0.00 0.77 0.00 0.00 66.41 66.14 1fun h THR 58 Cb 1.01 1.25 0.00 0.00 -1.74 0.00 0.00 68.15 68.67 1fun h THR 58 CO 0.00 0.33 0.00 -1.54 0.37 0.00 0.00 175.52 174.68 1fun n SER 59 N -4.19 0.00 0.05 4.18 3.41 -1.23 -3.00 113.62 112.84 1fun n SER 59 Ca -0.00 0.50 0.08 0.00 -0.26 0.00 0.00 58.87 59.19 1fun n SER 59 Cb 0.33 -0.50 0.35 0.00 -0.26 0.00 0.00 64.21 64.14 1fun n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1fun n ALA 60 N -1.50 1.58 0.00 7.33 0.00 -0.86 -4.55 120.51 122.51 1fun n ALA 60 Ca 0.03 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1fun n ALA 60 Cb 0.15 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.33 1fun n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fun n GLY 61 N -0.19 -1.95 3.96 0.00 0.00 -1.16 -1.29 105.19 104.56 1fun n GLY 61 Ca 0.03 -1.41 -0.27 0.00 0.00 0.00 0.00 46.02 44.37 1fun n GLY 61 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1fun s PRO 62 N 0.00 1.14 0.33 1.61 0.04 -1.26 -4.63 135.00 132.22 1fun s PRO 62 Ca 0.00 -0.74 -0.29 0.00 0.04 0.00 0.00 61.00 60.01 1fun s PRO 62 Cb 0.00 -2.08 -0.11 0.00 0.04 0.00 0.00 34.50 32.35 1fun s PRO 62 CO 0.00 -1.96 1.57 -1.01 0.04 0.00 0.00 177.00 175.64 1fun s HIS 63 N -3.54 2.66 -0.18 0.56 3.76 -1.26 0.20 115.29 117.49 1fun s HIS 63 Ca 0.70 0.90 -0.29 0.00 -0.15 0.00 0.00 55.06 56.22 1fun s HIS 63 Cb -0.05 -4.08 -0.07 0.00 1.11 0.00 0.00 32.58 29.50 1fun s HIS 63 CO 0.49 -3.46 2.17 0.34 -0.85 0.00 0.00 174.74 173.43 1fun n PHE 64 N 1.54 2.03 -3.19 1.40 7.35 -0.49 -4.50 117.46 121.61 1fun n PHE 64 Ca 0.06 -0.12 -0.21 0.00 -0.76 0.00 0.00 57.45 56.41 1fun n PHE 64 Cb 0.38 -2.72 -0.05 0.00 0.35 0.00 0.00 39.48 37.44 1fun n PHE 64 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 1fun n ASN 65 N 10.61 0.94 0.16 -2.13 5.15 -1.26 -2.22 115.26 126.51 1fun n ASN 65 Ca 0.29 -2.95 0.12 0.00 -0.60 0.00 0.00 54.58 51.44 1fun n ASN 65 Cb 0.41 -0.63 0.58 0.00 -0.53 0.00 0.00 39.78 39.61 1fun n ASN 65 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1fun h PRO 66 N 3.44 0.00 -0.60 1.20 0.13 -1.98 -2.19 132.00 132.00 1fun h PRO 66 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1fun h PRO 66 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 1fun h PRO 66 CO 0.52 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.57 1fun n LEU 67 N -2.30 4.78 -4.30 1.56 4.77 -1.26 -4.95 117.00 115.30 1fun n LEU 67 Ca -0.00 -2.53 -0.33 0.00 -0.03 0.00 0.00 56.01 53.12 1fun n LEU 67 Cb 0.11 -0.58 -0.08 0.00 -2.33 0.00 0.00 43.42 40.55 1fun n LEU 67 CO 0.14 0.78 -0.34 -1.20 -1.33 0.00 0.00 177.39 175.43 1fun n SER 68 N 0.93 -0.10 -4.65 -1.43 7.64 -0.82 -4.95 113.62 110.23 1fun n SER 68 Ca 0.25 -1.21 -0.24 0.00 1.01 0.00 0.00 58.87 58.69 1fun n SER 68 Cb 0.92 -1.91 0.12 0.00 -1.01 0.00 0.00 64.21 62.32 1fun n SER 68 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1fun s ARG 69 N -7.20 1.59 0.43 1.43 1.81 -1.26 -5.11 118.95 110.64 1fun s ARG 69 Ca 0.22 -1.21 0.02 0.00 -1.72 0.00 0.00 55.73 53.05 1fun s ARG 69 Cb -0.13 -2.33 -0.00 0.00 -0.45 0.00 0.00 34.95 32.04 1fun s ARG 69 CO 0.98 -1.51 0.62 0.15 -0.68 0.00 0.00 175.30 174.86 1fun s LYS 70 N -5.16 3.04 0.44 3.54 1.02 -1.26 -4.80 119.74 116.55 1fun s LYS 70 Ca 0.67 -0.66 -0.23 0.00 0.02 0.00 0.00 55.97 55.77 1fun s LYS 70 Cb -0.05 -2.63 -0.08 0.00 -0.52 0.00 0.00 37.83 34.56 1fun s LYS 70 CO 0.45 -0.21 1.10 -1.58 -0.92 0.00 0.00 175.35 174.19 1fun s HIS 71 N -2.46 3.06 0.06 3.18 5.65 -1.16 -2.33 115.29 121.29 1fun s HIS 71 Ca 0.48 1.59 -0.08 0.00 0.25 0.00 0.00 55.06 57.30 1fun s HIS 71 Cb -0.10 -3.24 0.03 0.00 -1.18 0.00 0.00 32.58 28.09 1fun s HIS 71 CO 0.36 -1.06 0.39 0.41 -0.65 0.00 0.00 174.74 174.19 1fun n GLY 72 N 0.34 1.01 3.80 1.59 0.00 -1.26 -4.37 105.19 106.29 1fun n GLY 72 Ca 0.06 -1.00 -0.30 0.00 0.00 0.00 0.00 46.02 44.79 1fun n GLY 72 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1fun s GLY 73 N -2.49 1.62 0.58 -0.02 0.00 -1.20 -4.76 107.32 101.04 1fun s GLY 73 Ca 0.09 -0.24 0.37 0.00 0.00 0.00 0.00 44.72 44.94 1fun s GLY 73 CO 0.02 0.21 2.12 -0.56 0.00 0.00 0.00 173.10 174.89 1fun h PRO 74 N -1.16 0.00 -0.01 2.90 0.13 -1.86 -1.42 132.00 130.59 1fun h PRO 74 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1fun h PRO 74 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1fun h PRO 74 CO 0.59 0.00 -0.39 1.63 -0.23 0.00 0.00 178.00 179.60 1fun n LYS 75 N -3.02 0.80 -2.29 0.86 5.02 -1.26 -4.94 118.16 113.33 1fun n LYS 75 Ca -0.01 -0.55 -0.32 0.00 -2.02 0.00 0.00 58.31 55.41 1fun n LYS 75 Cb 0.20 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 33.70 1fun n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1fun s ASP 76 N -2.58 6.46 -0.13 4.39 1.01 -0.54 -5.00 116.67 120.28 1fun s ASP 76 Ca 0.20 1.59 -0.24 0.00 0.71 0.00 0.00 52.55 54.82 1fun s ASP 76 Cb 0.19 -2.51 -0.21 0.00 1.01 0.00 0.00 42.92 41.40 1fun s ASP 76 CO 0.58 -0.70 0.65 -0.08 0.21 0.00 0.00 175.17 175.82 1fun h GLU 77 N 0.72 -0.00 -6.58 8.23 4.81 -1.92 -3.41 114.58 116.42 1fun h GLU 77 Ca -0.46 0.00 -0.57 0.00 -0.13 0.00 0.00 59.36 58.20 1fun h GLU 77 Cb 1.19 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 30.50 1fun h GLU 77 CO 0.61 0.80 0.86 -2.00 -0.73 0.00 0.00 179.01 178.55 1fun s GLU 78 N -2.17 3.73 -0.07 1.92 2.56 -1.26 -4.93 118.70 118.48 1fun s GLU 78 Ca -0.15 0.55 -0.31 0.00 0.00 0.00 0.00 54.97 55.06 1fun s GLU 78 Cb -0.02 -3.89 0.12 0.00 2.00 0.00 0.00 34.13 32.33 1fun s GLU 78 CO 0.56 -1.31 1.01 -0.98 -0.56 0.00 0.00 175.26 173.99 1fun s ARG 79 N 4.26 0.62 0.58 4.30 1.04 -0.98 -4.16 118.95 124.61 1fun s ARG 79 Ca 0.46 -0.23 -0.14 0.00 -1.04 0.00 0.00 55.73 54.78 1fun s ARG 79 Cb -0.08 0.29 -0.05 0.00 -2.04 0.00 0.00 34.95 33.06 1fun s ARG 79 CO 0.29 -0.27 1.01 -1.01 -0.04 0.00 0.00 175.30 175.28 1fun s HIS 80 N -2.85 3.51 0.40 5.89 3.76 -1.22 -4.68 115.29 120.10 1fun s HIS 80 Ca 0.07 1.38 0.09 0.00 -0.15 0.00 0.00 55.06 56.45 1fun s HIS 80 Cb -0.01 -2.77 0.84 0.00 1.11 0.00 0.00 32.58 31.75 1fun s HIS 80 CO -0.07 -0.60 1.98 0.28 -0.85 0.00 0.00 174.74 175.48 1fun h VAL 81 N 0.21 1.14 -0.09 -0.90 2.07 -1.88 -2.42 116.25 114.37 1fun h VAL 81 Ca -0.45 -0.52 0.00 0.00 0.82 0.00 0.00 66.70 66.55 1fun h VAL 81 Cb 1.19 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 31.91 1fun h VAL 81 CO 0.61 0.18 0.00 0.61 0.02 0.00 0.00 177.57 178.99 1fun n GLY 82 N -1.13 -0.01 3.56 2.17 0.00 -0.94 -4.45 105.19 104.40 1fun n GLY 82 Ca 0.00 -0.38 -0.38 0.00 0.00 0.00 0.00 46.02 45.26 1fun n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1fun s ASP 83 N -1.72 6.23 0.00 1.61 1.11 -0.91 -1.31 116.67 121.68 1fun s ASP 83 Ca 0.34 -1.28 0.15 0.00 0.18 0.00 0.00 52.55 51.94 1fun s ASP 83 Cb 0.18 -2.57 0.54 0.00 1.07 0.00 0.00 42.92 42.15 1fun s ASP 83 CO 0.29 -1.75 1.40 0.18 1.18 0.00 0.00 175.17 176.47 1fun n LEU 84 N 9.87 1.51 0.00 1.23 4.77 -1.08 -3.67 117.00 129.63 1fun n LEU 84 Ca 0.34 -0.70 0.00 0.00 -0.03 0.00 0.00 56.01 55.62 1fun n LEU 84 Cb 0.50 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 1fun n LEU 84 CO 0.65 0.35 0.00 0.61 -1.33 0.00 0.00 177.39 177.67 1fun n GLY 85 N 1.03 0.05 3.63 -0.72 0.00 -1.17 -4.75 105.19 103.25 1fun n GLY 85 Ca 0.13 -1.06 -0.24 0.00 0.00 0.00 0.00 46.02 44.85 1fun n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1fun s ASN 86 N -4.00 4.51 -0.02 1.61 0.01 -1.26 -0.42 114.94 115.37 1fun s ASN 86 Ca 0.00 -0.61 0.05 0.00 -0.71 0.00 0.00 52.86 51.58 1fun s ASN 86 Cb 0.00 -0.84 -0.01 0.00 0.41 0.00 0.00 41.25 40.81 1fun s ASN 86 CO 0.00 0.03 -0.17 0.68 -1.51 0.00 0.00 177.10 176.13 1fun s VAL 87 N -2.17 1.34 -0.21 1.60 -7.23 -0.50 -4.89 120.40 108.34 1fun s VAL 87 Ca 0.30 -0.70 -0.13 0.00 -1.81 0.00 0.00 61.98 59.64 1fun s VAL 87 Cb -0.07 -1.13 -0.05 0.00 0.56 0.00 0.00 36.38 35.70 1fun s VAL 87 CO 0.19 0.38 0.27 -0.89 -0.31 0.00 0.00 175.10 174.74 1fun s THR 88 N -0.23 5.30 -0.19 5.32 2.01 -1.26 -1.74 115.64 124.85 1fun s THR 88 Ca 0.03 0.43 -0.09 0.00 0.31 0.00 0.00 61.69 62.37 1fun s THR 88 Cb -0.08 -3.60 -0.05 0.00 0.01 0.00 0.00 72.50 68.78 1fun s THR 88 CO 0.00 0.32 0.12 0.00 -0.69 0.00 0.00 174.62 174.38 1fun s ALA 89 N 1.00 3.68 1.00 7.40 0.00 -0.38 -4.31 121.76 130.15 1fun s ALA 89 Ca 0.13 -0.69 0.00 0.00 0.00 0.00 0.00 51.96 51.40 1fun s ALA 89 Cb -0.14 -2.11 0.00 0.00 0.00 0.00 0.00 23.12 20.87 1fun s ALA 89 CO 0.05 0.22 0.00 -0.40 0.00 0.00 0.00 175.76 175.63 1fun n ASP 90 N 3.32 -0.59 -0.15 0.00 5.68 0.53 -1.43 116.55 123.90 1fun n ASP 90 Ca -0.17 -0.47 -0.01 0.00 -0.50 0.00 0.00 54.79 53.64 1fun n ASP 90 Cb 0.52 0.00 0.24 0.00 -1.14 0.00 0.00 41.12 40.74 1fun n ASP 90 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 1fun h LYS 91 N 0.00 0.86 -0.62 0.11 6.56 -1.96 -0.18 116.57 121.35 1fun h LYS 91 Ca 0.00 -0.11 0.00 0.00 -1.06 0.00 0.00 60.65 59.48 1fun h LYS 91 Cb 0.00 -0.16 0.00 0.00 -0.57 0.00 0.00 32.23 31.50 1fun h LYS 91 CO 0.00 0.67 0.00 -0.25 -2.06 0.00 0.00 179.45 177.81 1fun n ASP 92 N -4.35 1.80 -2.11 0.86 8.00 -1.26 -4.79 116.55 114.69 1fun n ASP 92 Ca 0.06 -2.15 -0.17 0.00 0.71 0.00 0.00 54.79 53.24 1fun n ASP 92 Cb 0.13 -0.39 0.01 0.00 -0.02 0.00 0.00 41.12 40.86 1fun n ASP 92 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1fun n GLY 93 N 0.43 -0.27 3.35 0.44 0.00 -0.08 -4.66 105.19 104.40 1fun n GLY 93 Ca 0.07 -0.14 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 1fun n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fun s VAL 94 N -2.92 2.90 -0.27 1.61 1.01 -1.26 -1.58 120.40 119.89 1fun s VAL 94 Ca 0.12 -0.72 -0.03 0.00 0.00 0.00 0.00 61.98 61.35 1fun s VAL 94 Cb -0.05 -2.20 0.03 0.00 0.00 0.00 0.00 36.38 34.16 1fun s VAL 94 CO 0.15 0.53 -0.01 0.00 0.00 0.00 0.00 175.10 175.77 1fun s ALA 95 N 0.31 2.81 -0.74 5.51 0.00 -0.12 -0.35 121.76 129.19 1fun s ALA 95 Ca -0.11 -1.53 -0.18 0.00 0.00 0.00 0.00 51.96 50.14 1fun s ALA 95 Cb -0.16 -1.85 0.14 0.00 0.00 0.00 0.00 23.12 21.25 1fun s ALA 95 CO 0.06 -0.94 0.83 -0.51 0.00 0.00 0.00 175.76 175.20 1fun s ASP 96 N 1.35 6.44 0.38 0.00 1.01 -1.26 -1.95 116.67 122.64 1fun s ASP 96 Ca -0.00 -1.89 -0.26 0.00 0.71 0.00 0.00 52.55 51.10 1fun s ASP 96 Cb -0.17 -2.30 -0.09 0.00 1.01 0.00 0.00 42.92 41.36 1fun s ASP 96 CO -0.02 -0.97 1.26 -0.69 0.21 0.00 0.00 175.17 174.95 1fun s VAL 97 N 2.08 2.82 -0.37 -1.27 1.01 0.11 -4.91 120.40 119.86 1fun s VAL 97 Ca 0.18 0.75 0.02 0.00 0.00 0.00 0.00 61.98 62.93 1fun s VAL 97 Cb -0.16 -3.44 0.18 0.00 0.00 0.00 0.00 36.38 32.96 1fun s VAL 97 CO -0.01 0.12 0.77 -0.55 0.00 0.00 0.00 175.10 175.42 1fun s SER 98 N -0.80 -1.14 0.15 3.32 0.15 -1.24 -2.84 113.70 111.30 1fun s SER 98 Ca 0.55 -0.51 0.10 0.00 0.70 0.00 0.00 55.95 56.79 1fun s SER 98 Cb -0.36 1.48 -0.04 0.00 -1.71 0.00 0.00 66.02 65.39 1fun s SER 98 CO 0.46 -0.13 -0.24 -0.63 1.20 0.00 0.00 173.24 173.90 1fun s ILE 99 N 1.98 2.13 -0.14 6.45 1.01 -0.72 -5.01 121.20 126.91 1fun s ILE 99 Ca 0.16 -1.84 -0.02 0.00 0.00 0.00 0.00 60.65 58.94 1fun s ILE 99 Cb -0.02 -1.94 0.05 0.00 0.01 0.00 0.00 42.46 40.55 1fun s ILE 99 CO -0.11 -0.07 0.02 -0.70 0.00 0.00 0.00 174.94 174.07 1fun s GLU 100 N -2.36 0.69 0.10 2.79 2.12 -1.26 -1.15 118.70 119.63 1fun s GLU 100 Ca 0.15 -0.20 0.10 0.00 0.36 0.00 0.00 54.97 55.38 1fun s GLU 100 Cb -0.09 -1.63 -0.04 0.00 0.26 0.00 0.00 34.13 32.63 1fun s GLU 100 CO 0.07 -0.49 -0.26 0.34 -0.54 0.00 0.00 175.26 174.39 1fun s ASP 101 N 1.89 3.11 0.00 -1.70 2.15 -0.04 -4.95 116.67 117.14 1fun s ASP 101 Ca 0.02 -0.69 0.06 0.00 0.43 0.00 0.00 52.55 52.37 1fun s ASP 101 Cb -0.15 -0.22 -0.05 0.00 -0.30 0.00 0.00 42.92 42.20 1fun s ASP 101 CO -0.07 0.18 0.29 -1.54 -0.17 0.00 0.00 175.17 173.86 1fun n SER 102 N 1.21 0.42 0.07 -0.34 3.41 -1.26 0.10 113.62 117.24 1fun n SER 102 Ca -0.18 -0.71 -0.20 0.00 -0.26 0.00 0.00 58.87 57.52 1fun n SER 102 Cb 0.53 0.87 -0.15 0.00 -0.26 0.00 0.00 64.21 65.20 1fun n SER 102 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1fun h VAL 103 N 0.16 1.06 -4.36 -3.33 2.07 -1.93 -3.46 116.25 106.46 1fun h VAL 103 Ca 0.00 -2.66 -0.49 0.00 0.82 0.00 0.00 66.70 64.37 1fun h VAL 103 Cb 0.15 2.78 0.07 0.00 -1.52 0.00 0.00 31.29 32.77 1fun h VAL 103 CO 0.00 0.83 0.39 0.27 0.02 0.00 0.00 177.57 179.08 1fun s ILE 104 N -2.60 3.68 0.23 4.57 -4.36 -1.26 -4.95 121.20 116.51 1fun s ILE 104 Ca -0.12 0.48 -0.13 0.00 -0.26 0.00 0.00 60.65 60.61 1fun s ILE 104 Cb 0.06 -3.53 0.00 0.00 1.25 0.00 0.00 42.46 40.24 1fun s ILE 104 CO 0.86 -0.68 0.47 -0.55 0.24 0.00 0.00 174.94 175.28 1fun s SER 105 N -4.33 -0.11 -0.15 4.36 0.15 -1.07 -4.59 113.70 107.97 1fun s SER 105 Ca 0.57 -0.84 0.16 0.00 0.70 0.00 0.00 55.95 56.54 1fun s SER 105 Cb -0.11 0.57 0.64 0.00 -1.71 0.00 0.00 66.02 65.41 1fun s SER 105 CO 0.51 -1.10 1.55 0.18 1.20 0.00 0.00 173.24 175.59 1fun n LEU 106 N -0.36 4.53 -3.52 3.45 4.77 -1.26 -2.45 117.00 122.16 1fun n LEU 106 Ca -0.04 -2.68 -0.16 0.00 -0.03 0.00 0.00 56.01 53.10 1fun n LEU 106 Cb 0.62 -0.55 -0.06 0.00 -2.33 0.00 0.00 43.42 41.10 1fun n LEU 106 CO 0.21 0.72 0.49 -0.94 -1.33 0.00 0.00 177.39 176.54 1fun s SER 107 N -1.20 -0.61 0.00 -1.43 1.04 -1.26 -1.05 113.70 109.19 1fun s SER 107 Ca 0.46 0.61 0.00 0.00 0.48 0.00 0.00 55.95 57.50 1fun s SER 107 Cb 0.33 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.96 1fun s SER 107 CO 0.17 -0.59 0.00 0.61 0.98 0.00 0.00 173.24 174.40 1fun n GLY 108 N 0.78 -1.85 0.05 7.32 0.00 -1.26 -4.01 105.19 106.21 1fun n GLY 108 Ca -0.17 -1.89 -0.12 0.00 0.00 0.00 0.00 46.02 43.84 1fun n GLY 108 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1fun h ASP 109 N 0.00 0.02 -0.04 1.61 3.32 -2.01 -2.89 116.42 116.42 1fun h ASP 109 Ca 0.00 -0.12 -0.01 0.00 0.02 0.00 0.00 57.03 56.92 1fun h ASP 109 Cb 0.00 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1fun h ASP 109 CO 0.00 0.13 0.02 1.41 -1.72 0.00 0.00 179.24 179.08 1fun n HIS 110 N -5.02 0.14 -2.49 4.55 8.25 -1.26 -4.87 115.22 114.51 1fun n HIS 110 Ca -0.07 -0.30 -0.42 0.00 -0.26 0.00 0.00 57.72 56.66 1fun n HIS 110 Cb 0.08 -0.20 -0.03 0.00 1.12 0.00 0.00 29.99 30.96 1fun n HIS 110 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1fun s SER 111 N 0.41 7.12 0.00 0.41 0.15 -1.09 -2.59 113.70 118.10 1fun s SER 111 Ca 0.03 1.85 0.27 0.00 0.70 0.00 0.00 55.95 58.80 1fun s SER 111 Cb 0.02 -2.57 0.83 0.00 -1.71 0.00 0.00 66.02 62.60 1fun s SER 111 CO 0.01 -0.49 1.61 2.30 1.20 0.00 0.00 173.24 177.87 1fun n ILE 112 N 4.26 0.00 -1.93 6.45 -5.35 -1.02 -4.90 119.36 116.87 1fun n ILE 112 Ca 0.09 -0.12 -0.42 0.00 -0.27 0.00 0.00 62.75 62.03 1fun n ILE 112 Cb 0.47 0.32 -0.03 0.00 -1.74 0.00 0.00 39.64 38.67 1fun n ILE 112 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1fun s ILE 113 N -2.49 2.59 0.00 7.28 1.01 -1.26 -1.22 121.20 127.11 1fun s ILE 113 Ca 0.25 0.43 0.00 0.00 0.00 0.00 0.00 60.65 61.33 1fun s ILE 113 Cb 0.19 -3.28 0.00 0.00 0.01 0.00 0.00 42.46 39.39 1fun s ILE 113 CO 0.51 0.04 0.00 0.61 0.00 0.00 0.00 174.94 176.10 1fun n GLY 114 N 3.65 0.52 3.94 6.18 0.00 -0.50 -5.03 105.19 113.95 1fun n GLY 114 Ca 0.13 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 1fun n GLY 114 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1fun s ARG 115 N -0.86 2.32 -0.22 1.61 0.52 -0.36 -2.35 118.95 119.61 1fun s ARG 115 Ca 0.00 -1.82 -0.08 0.00 -0.52 0.00 0.00 55.73 53.31 1fun s ARG 115 Cb 0.00 -2.31 -0.04 0.00 0.52 0.00 0.00 34.95 33.13 1fun s ARG 115 CO 0.00 -0.61 0.07 0.99 0.02 0.00 0.00 175.30 175.77 1fun s THR 116 N -2.69 4.57 0.03 0.02 2.01 -1.21 0.10 115.64 118.47 1fun s THR 116 Ca 0.44 -0.10 -0.25 0.00 0.31 0.00 0.00 61.69 62.10 1fun s THR 116 Cb -0.03 -3.11 -0.05 0.00 0.01 0.00 0.00 72.50 69.32 1fun s THR 116 CO 0.27 0.38 0.75 -0.22 -0.69 0.00 0.00 174.62 175.12 1fun s LEU 117 N 1.12 4.43 -0.04 4.42 2.96 0.18 -0.67 118.68 131.10 1fun s LEU 117 Ca 0.05 1.41 0.04 0.00 -0.22 0.00 0.00 54.13 55.40 1fun s LEU 117 Cb -0.14 -3.20 -0.00 0.00 0.50 0.00 0.00 46.19 43.35 1fun s LEU 117 CO 0.03 0.00 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.24 1fun s VAL 118 N 0.03 1.15 -0.15 1.68 1.01 -0.15 -1.43 120.40 122.54 1fun s VAL 118 Ca 0.38 -0.56 -0.03 0.00 0.00 0.00 0.00 61.98 61.77 1fun s VAL 118 Cb -0.20 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.16 1fun s VAL 118 CO 0.22 0.34 -0.05 0.54 0.00 0.00 0.00 175.10 176.15 1fun s VAL 119 N 0.10 3.73 0.35 2.92 0.11 -0.38 -1.88 120.40 125.35 1fun s VAL 119 Ca -0.03 -0.42 0.04 0.00 -2.93 0.00 0.00 61.98 58.64 1fun s VAL 119 Cb -0.10 -2.62 -0.01 0.00 -1.53 0.00 0.00 36.38 32.11 1fun s VAL 119 CO 0.01 0.50 0.51 -1.00 -3.33 0.00 0.00 175.10 171.79 1fun s HIS 120 N 0.36 3.23 0.07 1.54 3.76 0.20 -0.99 115.29 123.46 1fun s HIS 120 Ca -0.05 -0.03 -0.19 0.00 -0.15 0.00 0.00 55.06 54.64 1fun s HIS 120 Cb -0.15 -1.99 -0.10 0.00 1.11 0.00 0.00 32.58 31.46 1fun s HIS 120 CO 0.03 -0.00 1.45 1.49 -0.85 0.00 0.00 174.74 176.86 1fun h GLU 121 N 0.81 0.44 0.00 1.40 4.81 -0.84 -3.37 114.58 117.84 1fun h GLU 121 Ca -0.47 -0.18 -0.44 0.00 -0.13 0.00 0.00 59.36 58.14 1fun h GLU 121 Cb 1.25 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 30.54 1fun h GLU 121 CO 0.56 0.70 -0.27 1.63 -0.73 0.00 0.00 179.01 180.89 1fun n LYS 122 N -4.57 1.05 -2.70 1.92 5.02 0.42 -4.89 118.16 114.41 1fun n LYS 122 Ca -0.04 -2.50 -0.33 0.00 -2.02 0.00 0.00 58.31 53.42 1fun n LYS 122 Cb 0.31 0.51 -0.06 0.00 -0.02 0.00 0.00 35.03 35.77 1fun n LYS 122 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1fun s ALA 123 N -2.58 2.99 -0.18 7.82 0.00 -1.21 -1.10 121.76 127.50 1fun s ALA 123 Ca 0.09 0.44 -0.17 0.00 0.00 0.00 0.00 51.96 52.32 1fun s ALA 123 Cb -0.01 -3.18 -0.04 0.00 0.00 0.00 0.00 23.12 19.90 1fun s ALA 123 CO 0.06 -0.04 0.45 0.34 0.00 0.00 0.00 175.76 176.57 1fun s ASP 124 N -2.20 6.54 0.00 0.00 -1.08 -1.26 -3.86 116.67 114.80 1fun s ASP 124 Ca 0.63 0.64 0.30 0.00 -0.52 0.00 0.00 52.55 53.60 1fun s ASP 124 Cb -0.11 -2.26 1.72 0.00 -1.46 0.00 0.00 42.92 40.81 1fun s ASP 124 CO 0.17 -0.08 2.11 -0.90 0.52 0.00 0.00 175.17 176.99 1fun n ASP 125 N 4.32 0.11 -1.87 -0.34 5.68 0.10 -4.87 116.55 119.69 1fun n ASP 125 Ca -0.07 -1.10 -0.18 0.00 -0.50 0.00 0.00 54.79 52.93 1fun n ASP 125 Cb 0.51 -0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.46 1fun n ASP 125 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1fun n LEU 126 N -0.88 -1.67 0.00 -2.12 4.77 -1.26 -1.69 117.00 114.15 1fun n LEU 126 Ca 0.22 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.35 1fun n LEU 126 Cb 0.12 -2.64 0.00 0.00 -2.33 0.00 0.00 43.42 38.58 1fun n LEU 126 CO 0.17 -0.46 0.00 0.61 -1.33 0.00 0.00 177.39 176.38 1fun n GLY 127 N -0.91 0.90 2.01 -0.72 0.00 -1.25 -3.21 105.19 102.01 1fun n GLY 127 Ca -0.21 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.61 1fun n GLY 127 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1fun n LYS 128 N -2.07 2.06 -0.02 1.61 5.02 -0.68 -4.50 118.16 119.58 1fun n LYS 128 Ca 0.00 -2.43 -0.12 0.00 -2.02 0.00 0.00 58.31 53.75 1fun n LYS 128 Cb 0.00 -1.95 -0.14 0.00 -0.02 0.00 0.00 35.03 32.92 1fun n LYS 128 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1fun n GLY 129 N -0.74 -0.89 0.00 0.72 0.00 -1.26 -5.01 105.19 98.02 1fun n GLY 129 Ca 0.48 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.39 1fun n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fun n GLY 130 N 1.67 0.55 3.50 -0.02 0.00 -1.26 -5.02 105.19 104.61 1fun n GLY 130 Ca -0.21 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.56 1fun n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fun s ASN 131 N -2.70 2.71 0.19 1.61 2.20 -1.26 -5.04 114.94 112.65 1fun s ASN 131 Ca 0.00 -1.62 -0.12 0.00 -0.94 0.00 0.00 52.86 50.19 1fun s ASN 131 Cb 0.00 0.40 0.17 0.00 -2.00 0.00 0.00 41.25 39.82 1fun s ASN 131 CO 0.00 -0.87 1.81 -0.08 -2.94 0.00 0.00 177.10 175.02 1fun h GLU 132 N 1.85 0.62 -0.62 3.55 4.81 -1.99 -2.71 114.58 120.09 1fun h GLU 132 Ca -0.37 -0.04 0.02 0.00 -0.13 0.00 0.00 59.36 58.85 1fun h GLU 132 Cb 1.27 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 30.47 1fun h GLU 132 CO 0.59 0.41 0.39 0.93 -0.73 0.00 0.00 179.01 180.61 1fun h GLU 133 N 0.64 0.75 -0.92 1.92 4.39 -1.99 -2.70 114.58 116.68 1fun h GLU 133 Ca 0.25 -0.05 0.26 0.00 0.34 0.00 0.00 59.36 60.17 1fun h GLU 133 Cb 0.10 -0.17 -0.14 0.00 -0.10 0.00 0.00 28.75 28.44 1fun h GLU 133 CO -0.14 0.50 0.36 1.03 -1.16 0.00 0.00 179.01 179.60 1fun h SER 134 N 0.78 0.20 -0.77 1.42 0.87 -1.81 0.39 113.55 114.63 1fun h SER 134 Ca 0.25 0.19 -0.43 0.00 -1.23 0.00 0.00 61.79 60.56 1fun h SER 134 Cb -0.01 0.21 -0.23 0.00 -0.44 0.00 0.00 62.40 61.93 1fun h SER 134 CO -0.09 -0.13 0.55 0.35 -0.53 0.00 0.00 176.83 176.98 1fun n THR 135 N -5.15 2.86 0.00 2.23 -2.24 -1.02 -2.16 114.28 108.80 1fun n THR 135 Ca 0.25 -1.73 0.00 0.00 -2.27 0.00 0.00 64.05 60.30 1fun n THR 135 Cb 0.77 -0.78 0.00 0.00 -2.10 0.00 0.00 70.33 68.22 1fun n THR 135 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1fun n GLU 136 N -0.64 0.00 0.00 -0.78 2.13 0.11 -3.00 120.64 118.45 1fun n GLU 136 Ca 0.47 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.29 1fun n GLU 136 Cb 1.18 -0.30 0.00 0.00 0.27 0.00 0.00 31.44 32.59 1fun n GLU 136 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1fun n THR 137 N -1.71 0.00 -1.02 6.31 -2.24 0.64 -4.81 114.28 111.44 1fun n THR 137 Ca 0.00 -0.08 -0.01 0.00 -2.27 0.00 0.00 64.05 61.69 1fun n THR 137 Cb 0.00 0.61 -0.00 0.00 -2.10 0.00 0.00 70.33 68.84 1fun n THR 137 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1fun n GLY 138 N 0.51 0.48 2.85 3.38 0.00 -0.92 -3.47 105.19 108.02 1fun n GLY 138 Ca 0.00 -0.29 -0.22 0.00 0.00 0.00 0.00 46.02 45.51 1fun n GLY 138 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1fun n ASN 139 N 0.39 -5.79 0.00 1.61 5.03 -1.26 -0.72 115.26 114.52 1fun n ASN 139 Ca -0.01 -0.20 0.10 0.00 0.87 0.00 0.00 54.58 55.34 1fun n ASN 139 Cb 0.07 -4.73 0.43 0.00 -1.02 0.00 0.00 39.78 34.53 1fun n ASN 139 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1fun n ALA 140 N -3.07 1.93 0.00 5.41 0.00 -1.23 -4.71 120.51 118.83 1fun n ALA 140 Ca -0.15 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.22 1fun n ALA 140 Cb 0.63 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.76 1fun n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fun n GLY 141 N 0.51 -1.98 3.69 0.00 0.00 -1.26 -0.44 105.19 105.72 1fun n GLY 141 Ca 0.06 -1.46 -0.31 0.00 0.00 0.00 0.00 46.02 44.31 1fun n GLY 141 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1fun s SER 142 N -4.00 3.13 -0.49 1.61 1.04 -1.26 -4.57 113.70 109.16 1fun s SER 142 Ca 0.00 2.15 -0.21 0.00 0.48 0.00 0.00 55.95 58.37 1fun s SER 142 Cb 0.00 -2.56 0.04 0.00 0.10 0.00 0.00 66.02 63.60 1fun s SER 142 CO 0.00 -2.96 0.71 -0.13 0.98 0.00 0.00 173.24 171.83 1fun s ARG 143 N -4.67 3.24 0.01 4.02 0.52 -1.26 -0.60 118.95 120.21 1fun s ARG 143 Ca 0.66 -0.53 -0.20 0.00 -0.52 0.00 0.00 55.73 55.14 1fun s ARG 143 Cb -0.22 -4.03 -0.21 0.00 0.52 0.00 0.00 34.95 31.01 1fun s ARG 143 CO 0.57 -1.20 1.15 -0.07 0.02 0.00 0.00 175.30 175.78 1fun h LEU 144 N 10.00 0.48 -7.54 2.53 3.38 -1.36 -3.47 115.31 119.32 1fun h LEU 144 Ca -0.26 -0.69 -0.12 0.00 0.09 0.00 0.00 57.88 56.89 1fun h LEU 144 Cb 1.09 -0.14 -0.20 0.00 0.09 0.00 0.00 40.66 41.50 1fun h LEU 144 CO 0.97 1.10 -0.30 0.00 0.09 0.00 0.00 178.44 180.30 1fun s ALA 145 N -3.46 -0.72 0.18 1.53 0.00 -1.19 -4.00 121.76 114.10 1fun s ALA 145 Ca -0.14 0.25 -0.10 0.00 0.00 0.00 0.00 51.96 51.97 1fun s ALA 145 Cb 0.04 0.10 -0.00 0.00 0.00 0.00 0.00 23.12 23.25 1fun s ALA 145 CO 0.80 -0.26 0.33 0.00 0.00 0.00 0.00 175.76 176.63 1fun s GLY 147 N -2.96 -0.54 0.15 0.00 0.00 -0.51 -1.48 107.32 101.98 1fun s GLY 147 Ca 0.17 1.47 -0.30 0.00 0.00 0.00 0.00 44.72 46.05 1fun s GLY 147 CO 0.00 1.05 0.99 0.14 0.00 0.00 0.00 173.10 175.28 1fun s VAL 148 N -1.02 4.27 -0.36 1.40 1.01 -1.26 -0.65 120.40 123.79 1fun s VAL 148 Ca -0.09 1.98 -0.27 0.00 0.00 0.00 0.00 61.98 63.59 1fun s VAL 148 Cb -0.01 -4.26 0.02 0.00 0.00 0.00 0.00 36.38 32.13 1fun s VAL 148 CO 0.08 0.35 1.01 -0.63 0.00 0.00 0.00 175.10 175.91 1fun s ILE 149 N -0.31 4.51 0.35 2.22 1.01 0.12 -4.45 121.20 124.65 1fun s ILE 149 Ca 0.46 1.42 0.09 0.00 0.00 0.00 0.00 60.65 62.62 1fun s ILE 149 Cb -0.25 -4.40 -0.06 0.00 0.01 0.00 0.00 42.46 37.76 1fun s ILE 149 CO 0.31 -0.56 -0.01 -0.83 0.00 0.00 0.00 174.94 173.85 1fun s GLY 150 N 1.85 2.17 -0.04 6.18 0.00 -0.58 -1.41 107.32 115.48 1fun s GLY 150 Ca 0.42 -2.04 -0.30 0.00 0.00 0.00 0.00 44.72 42.80 1fun s GLY 150 CO 0.19 -1.96 1.36 -0.42 0.00 0.00 0.00 173.10 172.27 1fun s ILE 151 N -2.57 3.90 0.34 0.90 1.01 -1.26 -0.91 121.20 122.61 1fun s ILE 151 Ca 0.34 1.23 0.09 0.00 0.00 0.00 0.00 60.65 62.31 1fun s ILE 151 Cb 0.02 -3.79 -0.05 0.00 0.01 0.00 0.00 42.46 38.65 1fun s ILE 151 CO 0.19 -0.03 0.05 0.00 0.00 0.00 0.00 174.94 175.15 1fun s ALA 152 N 2.68 3.29 -2.09 9.38 0.00 -0.79 -4.82 121.76 129.42 1fun s ALA 152 Ca 0.62 -1.92 0.17 0.00 0.00 0.00 0.00 51.96 50.82 1fun s ALA 152 Cb -0.29 -0.48 0.13 0.00 0.00 0.00 0.00 23.12 22.49 1fun s ALA 152 CO 0.24 0.06 1.03 0.00 0.00 0.00 0.00 175.76 177.09