#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 -4.29 0.00 -2.24 -1.26 -4.65 114.28 101.83 1fun n THR 2 Ca 0.00 -0.24 -0.18 0.00 -2.27 0.00 0.00 64.05 61.36 1fun n THR 2 Cb 0.00 0.42 -0.14 0.00 -2.10 0.00 0.00 70.33 68.51 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 -2.57 0.67 0.27 -0.78 1.02 -1.26 -0.61 119.74 116.48 1fun s LYS 3 Ca -0.02 -0.39 0.03 0.00 0.02 0.00 0.00 55.97 55.60 1fun s LYS 3 Cb 0.07 -0.63 -0.03 0.00 -0.52 0.00 0.00 37.83 36.71 1fun s LYS 3 CO 0.43 0.17 0.22 0.00 -0.92 0.00 0.00 175.35 175.25 1fun s ALA 4 N -0.39 1.48 0.11 5.17 0.00 -0.62 -1.09 121.76 126.41 1fun s ALA 4 Ca 0.02 -1.87 -0.24 0.00 0.00 0.00 0.00 51.96 49.87 1fun s ALA 4 Cb -0.04 1.42 0.07 0.00 0.00 0.00 0.00 23.12 24.57 1fun s ALA 4 CO -0.00 -0.64 0.60 0.54 0.00 0.00 0.00 175.76 176.26 1fun s VAL 5 N -3.77 0.01 -0.07 0.00 0.11 0.04 -2.61 120.40 114.10 1fun s VAL 5 Ca 0.39 -0.04 -0.03 0.00 -2.93 0.00 0.00 61.98 59.37 1fun s VAL 5 Cb 0.04 -1.01 0.04 0.00 -1.53 0.00 0.00 36.38 33.93 1fun s VAL 5 CO 0.20 -0.02 0.17 0.00 -3.33 0.00 0.00 175.10 172.11 1fun s ALA 6 N -3.18 -0.32 -0.46 1.54 0.00 0.23 -1.43 121.76 118.14 1fun s ALA 6 Ca -0.02 0.74 -0.14 0.00 0.00 0.00 0.00 51.96 52.54 1fun s ALA 6 Cb -0.01 -0.50 0.07 0.00 0.00 0.00 0.00 23.12 22.69 1fun s ALA 6 CO -0.08 -0.17 0.37 0.08 0.00 0.00 0.00 175.76 175.96 1fun s VAL 7 N 1.22 5.06 -0.10 0.00 1.01 -1.26 -1.49 120.40 124.83 1fun s VAL 7 Ca -0.09 -1.12 -0.30 0.00 0.00 0.00 0.00 61.98 60.48 1fun s VAL 7 Cb -0.11 -4.03 -0.02 0.00 0.00 0.00 0.00 36.38 32.22 1fun s VAL 7 CO -0.06 -0.56 1.12 -0.76 0.00 0.00 0.00 175.10 174.83 1fun s LEU 8 N 1.60 4.24 0.04 3.92 1.43 0.11 -4.27 118.68 125.76 1fun s LEU 8 Ca 0.04 1.65 -0.02 0.00 -1.03 0.00 0.00 54.13 54.78 1fun s LEU 8 Cb -0.24 -3.55 -0.03 0.00 0.03 0.00 0.00 46.19 42.39 1fun s LEU 8 CO 0.06 -0.55 -0.01 -0.54 0.23 0.00 0.00 176.35 175.54 1fun s LYS 9 N 2.34 0.56 0.12 1.70 1.02 -0.35 -1.87 119.74 123.25 1fun s LYS 9 Ca 0.52 -1.04 -0.05 0.00 0.02 0.00 0.00 55.97 55.42 1fun s LYS 9 Cb -0.21 0.20 0.02 0.00 -0.52 0.00 0.00 37.83 37.32 1fun s LYS 9 CO 0.18 -0.11 0.27 0.41 -0.92 0.00 0.00 175.35 175.18 1fun n GLY 10 N 0.47 1.57 0.14 -3.33 0.00 -1.24 -1.51 105.19 101.28 1fun n GLY 10 Ca -0.17 -1.08 -0.09 0.00 0.00 0.00 0.00 46.02 44.69 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 0.65 0.32 0.00 1.61 3.32 -1.91 -3.46 116.42 116.95 1fun h ASP 11 Ca -0.11 -0.24 0.00 0.00 0.02 0.00 0.00 57.03 56.70 1fun h ASP 11 Cb 0.40 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.86 1fun h ASP 11 CO 0.14 1.01 0.00 0.61 -1.72 0.00 0.00 179.24 179.28 1fun n GLY 12 N 0.76 -1.47 0.03 2.75 0.00 -1.26 -4.93 105.19 101.06 1fun n GLY 12 Ca -0.04 -1.46 0.14 0.00 0.00 0.00 0.00 46.02 44.65 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 0.20 -2.36 1.61 -0.04 -1.26 -4.90 135.00 128.25 1fun n PRO 13 Ca 0.00 -0.06 -0.42 0.00 -0.04 0.00 0.00 63.50 62.98 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 -2.84 3.91 -0.21 0.52 1.01 -1.26 -4.38 120.40 117.16 1fun s VAL 14 Ca 0.18 1.35 -0.28 0.00 0.00 0.00 0.00 61.98 63.23 1fun s VAL 14 Cb 0.19 -3.87 0.12 0.00 0.00 0.00 0.00 36.38 32.83 1fun s VAL 14 CO 0.56 0.08 1.01 0.00 0.00 0.00 0.00 175.10 176.74 1fun s GLN 15 N 1.38 0.56 0.12 2.72 -2.07 -1.02 -3.71 119.66 117.64 1fun s GLN 15 Ca 0.60 0.34 -0.24 0.00 -1.82 0.00 0.00 55.36 54.23 1fun s GLN 15 Cb -0.30 0.27 0.08 0.00 -1.09 0.00 0.00 33.01 31.97 1fun s GLN 15 CO 0.28 -0.13 1.12 0.20 -1.32 0.00 0.00 175.29 175.44 1fun s GLY 16 N -0.54 0.03 -0.11 2.60 0.00 -0.78 -1.49 107.32 107.02 1fun s GLY 16 Ca 0.00 -0.20 -0.00 0.00 0.00 0.00 0.00 44.72 44.52 1fun s GLY 16 CO -0.02 3.46 -0.08 -0.42 0.00 0.00 0.00 173.10 176.05 1fun s ILE 17 N -2.12 1.04 -0.13 0.90 1.01 -0.97 0.08 121.20 121.01 1fun s ILE 17 Ca 0.24 -0.30 -0.01 0.00 0.00 0.00 0.00 60.65 60.59 1fun s ILE 17 Cb -0.02 -1.06 -0.02 0.00 0.01 0.00 0.00 42.46 41.38 1fun s ILE 17 CO 0.03 0.37 -0.11 -0.63 0.00 0.00 0.00 174.94 174.60 1fun s ILE 18 N 1.69 3.21 -0.07 2.92 -1.09 -0.55 -2.91 121.20 124.39 1fun s ILE 18 Ca 0.05 -0.61 -0.02 0.00 -2.23 0.00 0.00 60.65 57.84 1fun s ILE 18 Cb -0.13 -2.35 -0.03 0.00 -1.58 0.00 0.00 42.46 38.37 1fun s ILE 18 CO -0.08 0.52 0.02 0.20 -1.23 0.00 0.00 174.94 174.37 1fun s ASN 19 N 0.27 5.33 -0.06 3.58 0.01 0.70 -0.60 114.94 124.18 1fun s ASN 19 Ca -0.08 0.14 0.05 0.00 -0.71 0.00 0.00 52.86 52.26 1fun s ASN 19 Cb -0.15 -1.50 -0.01 0.00 0.41 0.00 0.00 41.25 40.00 1fun s ASN 19 CO 0.05 0.36 -0.23 -0.36 -1.51 0.00 0.00 177.10 175.41 1fun s PHE 20 N -0.96 2.23 -0.04 2.20 0.08 -1.07 -0.67 117.98 119.75 1fun s PHE 20 Ca 0.15 -0.67 0.00 0.00 0.12 0.00 0.00 56.93 56.53 1fun s PHE 20 Cb -0.11 -1.47 0.03 0.00 -0.57 0.00 0.00 43.02 40.89 1fun s PHE 20 CO 0.05 -0.21 -0.01 -2.00 -0.10 0.00 0.00 175.22 172.95 1fun s GLU 21 N -0.08 0.41 -0.49 0.44 2.12 0.43 -1.59 118.70 119.94 1fun s GLU 21 Ca -0.04 0.06 0.03 0.00 0.36 0.00 0.00 54.97 55.37 1fun s GLU 21 Cb -0.13 -0.58 0.13 0.00 0.26 0.00 0.00 34.13 33.81 1fun s GLU 21 CO 0.04 -0.14 0.26 -1.14 -0.54 0.00 0.00 175.26 173.73 1fun s GLN 22 N 1.11 1.65 0.07 4.30 0.74 0.22 -0.63 119.66 127.12 1fun s GLN 22 Ca -0.08 -2.34 -0.25 0.00 0.05 0.00 0.00 55.36 52.73 1fun s GLN 22 Cb -0.14 -2.83 -0.11 0.00 1.10 0.00 0.00 33.01 31.04 1fun s GLN 22 CO -0.02 -1.14 1.40 0.87 -0.55 0.00 0.00 175.29 175.85 1fun h LYS 23 N 6.56 -0.55 -5.98 1.67 6.56 -1.81 -3.42 116.57 119.60 1fun h LYS 23 Ca -0.04 0.04 -0.61 0.00 -1.06 0.00 0.00 60.65 58.98 1fun h LYS 23 Cb 0.90 0.13 -0.05 0.00 -0.57 0.00 0.00 32.23 32.64 1fun h LYS 23 CO 0.59 -0.37 -0.31 -2.00 -2.06 0.00 0.00 179.45 175.30 1fun s GLU 24 N -4.99 3.70 0.00 3.15 -6.30 -1.26 -4.96 118.70 108.04 1fun s GLU 24 Ca -0.12 0.11 0.00 0.00 -2.50 0.00 0.00 54.97 52.46 1fun s GLU 24 Cb 0.04 -3.08 0.00 0.00 0.00 0.00 0.00 34.13 31.09 1fun s GLU 24 CO 0.43 0.63 0.08 -1.13 0.02 0.00 0.00 175.26 175.30 1fun n SER 25 N 1.23 0.00 -0.08 -1.70 3.41 -1.26 -1.88 113.62 113.34 1fun n SER 25 Ca -0.11 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.50 1fun n SER 25 Cb 0.53 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 1fun n SER 25 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1fun n ASN 26 N -0.51 0.00 -3.80 4.04 0.23 -1.26 -4.96 115.26 109.00 1fun n ASN 26 Ca 0.00 -0.67 -0.21 0.00 -0.53 0.00 0.00 54.58 53.17 1fun n ASN 26 Cb 0.00 0.00 0.13 0.00 -2.08 0.00 0.00 39.78 37.83 1fun n ASN 26 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1fun n GLY 27 N 0.00 -0.36 3.77 4.83 0.00 -0.79 -5.05 105.19 107.59 1fun n GLY 27 Ca 0.00 -1.86 -0.36 0.00 0.00 0.00 0.00 46.02 43.80 1fun n GLY 27 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1fun s PRO 28 N -4.96 3.31 -0.15 1.61 0.04 -1.26 -4.87 135.00 128.72 1fun s PRO 28 Ca 0.57 1.72 -0.12 0.00 0.04 0.00 0.00 61.00 63.21 1fun s PRO 28 Cb -0.02 -2.05 -0.05 0.00 0.04 0.00 0.00 34.50 32.42 1fun s PRO 28 CO 0.39 -0.91 0.24 0.08 0.04 0.00 0.00 177.00 176.85 1fun s VAL 29 N -1.67 5.33 -0.04 -0.36 1.01 0.24 -4.57 120.40 120.34 1fun s VAL 29 Ca 0.73 0.44 -0.21 0.00 0.00 0.00 0.00 61.98 62.94 1fun s VAL 29 Cb -0.27 -3.57 -0.05 0.00 0.00 0.00 0.00 36.38 32.50 1fun s VAL 29 CO 0.30 0.46 0.59 -0.54 0.00 0.00 0.00 175.10 175.91 1fun s LYS 30 N 0.04 4.34 -0.15 2.72 -0.14 0.20 -0.60 119.74 126.14 1fun s LYS 30 Ca 0.15 0.70 0.00 0.00 -1.36 0.00 0.00 55.97 55.47 1fun s LYS 30 Cb -0.13 -3.38 0.02 0.00 -1.68 0.00 0.00 37.83 32.66 1fun s LYS 30 CO 0.04 0.27 -0.15 0.08 -0.76 0.00 0.00 175.35 174.82 1fun s VAL 31 N 0.17 1.63 0.07 3.17 1.01 -0.64 -0.43 120.40 125.39 1fun s VAL 31 Ca 0.31 -0.67 -0.15 0.00 0.00 0.00 0.00 61.98 61.47 1fun s VAL 31 Cb -0.17 -1.52 0.03 0.00 0.00 0.00 0.00 36.38 34.71 1fun s VAL 31 CO 0.16 0.47 0.36 -1.66 0.00 0.00 0.00 175.10 174.42 1fun s TRP 32 N 1.44 -0.16 -5.00 5.22 -2.14 0.15 -1.27 118.94 117.18 1fun s TRP 32 Ca 0.04 -0.03 0.00 0.00 2.66 0.00 0.00 56.10 58.77 1fun s TRP 32 Cb -0.13 0.17 0.00 0.00 -3.10 0.00 0.00 33.47 30.41 1fun s TRP 32 CO -0.11 -0.59 0.00 0.41 -2.66 0.00 0.00 176.95 174.00 1fun n GLY 33 N 0.23 0.10 3.23 3.67 0.00 -1.14 -0.21 105.19 111.07 1fun n GLY 33 Ca -0.17 -1.37 -0.12 0.00 0.00 0.00 0.00 46.02 44.35 1fun n GLY 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1fun s SER 34 N -4.00 -0.14 0.02 1.61 1.04 -1.15 -0.53 113.70 110.55 1fun s SER 34 Ca 0.00 -0.06 0.07 0.00 0.48 0.00 0.00 55.95 56.44 1fun s SER 34 Cb 0.00 0.32 -0.02 0.00 0.10 0.00 0.00 66.02 66.42 1fun s SER 34 CO 0.00 -0.52 -0.21 -0.63 0.98 0.00 0.00 173.24 172.86 1fun s ILE 35 N -1.88 1.68 0.27 -1.02 1.01 -0.10 -2.30 121.20 118.87 1fun s ILE 35 Ca -0.10 -1.07 0.09 0.00 0.00 0.00 0.00 60.65 59.57 1fun s ILE 35 Cb -0.03 -1.44 -0.05 0.00 0.01 0.00 0.00 42.46 40.95 1fun s ILE 35 CO 0.01 0.33 -0.14 -0.75 0.00 0.00 0.00 174.94 174.39 1fun s LYS 36 N -0.88 1.58 -0.24 2.79 2.36 -0.56 0.10 119.74 124.90 1fun s LYS 36 Ca 0.08 -1.76 0.00 0.00 -2.55 0.00 0.00 55.97 51.74 1fun s LYS 36 Cb -0.09 -1.46 0.00 0.00 -1.05 0.00 0.00 37.83 35.24 1fun s LYS 36 CO 0.01 0.20 0.00 0.41 1.55 0.00 0.00 175.35 177.51 1fun n GLY 37 N -0.58 0.32 3.74 5.54 0.00 -0.91 -2.45 105.19 110.87 1fun n GLY 37 Ca -0.06 -0.81 -0.34 0.00 0.00 0.00 0.00 46.02 44.81 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 -0.73 3.79 0.49 0.99 1.43 0.01 -4.22 118.68 120.44 1fun s LEU 38 Ca 0.00 0.17 -0.23 0.00 -1.03 0.00 0.00 54.13 53.04 1fun s LEU 38 Cb 0.00 -2.04 -0.06 0.00 0.03 0.00 0.00 46.19 44.12 1fun s LEU 38 CO 0.00 0.33 1.25 0.42 0.23 0.00 0.00 176.35 178.58 1fun s THR 39 N -1.04 2.66 0.23 5.49 -4.23 -1.26 -3.82 115.64 113.67 1fun s THR 39 Ca 0.18 0.50 -0.31 0.00 -1.18 0.00 0.00 61.69 60.88 1fun s THR 39 Cb -0.12 -3.26 -0.14 0.00 1.34 0.00 0.00 72.50 70.32 1fun s THR 39 CO 0.08 -0.00 1.21 1.21 -0.54 0.00 0.00 174.62 176.58 1fun n GLU 40 N -0.66 1.54 0.00 3.99 2.13 -1.26 -4.66 120.64 121.72 1fun n GLU 40 Ca 0.08 0.54 0.00 0.00 0.66 0.00 0.00 57.16 58.45 1fun n GLU 40 Cb 0.46 -2.07 0.00 0.00 0.27 0.00 0.00 31.44 30.11 1fun n GLU 40 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1fun n GLY 41 N 1.80 0.53 3.79 8.31 0.00 -0.62 -4.92 105.19 114.07 1fun n GLY 41 Ca 0.12 -2.13 -0.36 0.00 0.00 0.00 0.00 46.02 43.65 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 4.29 -0.05 0.99 1.43 -1.26 -0.69 118.68 123.39 1fun s LEU 42 Ca 0.00 0.39 0.02 0.00 -1.03 0.00 0.00 54.13 53.51 1fun s LEU 42 Cb 0.00 -2.14 0.01 0.00 0.03 0.00 0.00 46.19 44.09 1fun s LEU 42 CO 0.00 0.26 -0.10 -1.00 0.23 0.00 0.00 176.35 175.74 1fun s HIS 43 N -0.22 1.22 0.38 0.29 3.76 -0.77 -2.56 115.29 117.40 1fun s HIS 43 Ca 0.12 -0.39 -0.26 0.00 -0.15 0.00 0.00 55.06 54.37 1fun s HIS 43 Cb -0.12 -0.90 -0.11 0.00 1.11 0.00 0.00 32.58 32.56 1fun s HIS 43 CO 0.02 -0.20 1.23 0.41 -0.85 0.00 0.00 174.74 175.35 1fun n GLY 44 N 3.66 0.43 2.71 -2.22 0.00 -0.48 -0.80 105.19 108.50 1fun n GLY 44 Ca -0.22 0.24 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.16 0.93 0.31 1.61 5.36 0.12 -0.73 117.98 124.40 1fun s PHE 45 Ca 0.59 -0.82 0.03 0.00 -0.96 0.00 0.00 56.93 55.77 1fun s PHE 45 Cb -0.55 -1.01 -0.04 0.00 -0.34 0.00 0.00 43.02 41.09 1fun s PHE 45 CO 0.60 -0.61 0.15 -1.01 -1.46 0.00 0.00 175.22 172.89 1fun s HIS 46 N 1.89 1.61 -0.25 10.12 3.76 -0.73 -2.44 115.29 129.26 1fun s HIS 46 Ca 0.00 -1.35 0.02 0.00 -0.15 0.00 0.00 55.06 53.58 1fun s HIS 46 Cb -0.17 -0.88 0.06 0.00 1.11 0.00 0.00 32.58 32.70 1fun s HIS 46 CO -0.10 -0.50 -0.09 0.08 -0.85 0.00 0.00 174.74 173.29 1fun s VAL 47 N -3.59 1.96 0.44 -0.90 1.01 0.94 -1.36 120.40 118.90 1fun s VAL 47 Ca 0.35 -1.50 -0.09 0.00 0.00 0.00 0.00 61.98 60.74 1fun s VAL 47 Cb 0.05 -2.12 -0.05 0.00 0.00 0.00 0.00 36.38 34.26 1fun s VAL 47 CO 0.17 -0.05 0.79 -1.00 0.00 0.00 0.00 175.10 175.01 1fun s HIS 48 N 1.20 3.51 0.02 5.22 3.76 0.58 -1.36 115.29 128.21 1fun s HIS 48 Ca -0.08 0.99 -0.05 0.00 -0.15 0.00 0.00 55.06 55.77 1fun s HIS 48 Cb -0.20 -2.42 -0.02 0.00 1.11 0.00 0.00 32.58 31.05 1fun s HIS 48 CO -0.05 -0.19 1.09 1.49 -0.85 0.00 0.00 174.74 176.22 1fun h GLU 49 N 0.86 -0.11 -6.70 1.40 4.81 -0.60 -2.63 114.58 111.60 1fun h GLU 49 Ca -0.47 0.01 -0.50 0.00 -0.13 0.00 0.00 59.36 58.27 1fun h GLU 49 Cb 1.19 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.57 1fun h GLU 49 CO 0.63 -0.08 0.09 -0.06 -0.73 0.00 0.00 179.01 178.87 1fun s PHE 50 N -3.43 3.41 -0.76 0.92 0.08 -0.28 -4.37 117.98 113.55 1fun s PHE 50 Ca -0.03 1.23 -0.01 0.00 0.12 0.00 0.00 56.93 58.24 1fun s PHE 50 Cb 0.01 -2.54 0.38 0.00 -0.57 0.00 0.00 43.02 40.30 1fun s PHE 50 CO 0.09 0.13 1.93 0.41 -0.10 0.00 0.00 175.22 177.68 1fun n GLY 51 N -0.23 5.67 3.21 4.36 0.00 -1.18 -3.13 105.19 113.88 1fun n GLY 51 Ca 0.03 -2.47 -0.40 0.00 0.00 0.00 0.00 46.02 43.17 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 -1.52 5.65 -0.40 1.61 -1.08 -1.26 -4.90 116.67 114.77 1fun s ASP 52 Ca 0.55 -1.88 0.06 0.00 -0.52 0.00 0.00 52.55 50.76 1fun s ASP 52 Cb 0.45 -1.99 0.67 0.00 -1.46 0.00 0.00 42.92 40.59 1fun s ASP 52 CO -0.30 -0.66 1.84 0.59 0.52 0.00 0.00 175.17 177.16 1fun n ASN 53 N 4.88 3.88 0.30 -0.34 5.03 -1.26 -3.31 115.26 124.44 1fun n ASN 53 Ca -0.08 -3.53 -0.16 0.00 0.87 0.00 0.00 54.58 51.68 1fun n ASN 53 Cb 0.41 -0.79 -0.08 0.00 -1.02 0.00 0.00 39.78 38.29 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 1.42 0.42 -0.99 3.41 1.35 -1.93 -2.90 112.91 113.70 1fun h THR 54 Ca 0.50 -0.17 -0.53 0.00 -0.55 0.00 0.00 66.41 65.65 1fun h THR 54 Cb 2.60 0.49 -0.21 0.00 -1.73 0.00 0.00 68.15 69.30 1fun h THR 54 CO 0.93 0.03 0.65 0.00 -0.25 0.00 0.00 175.52 176.87 1fun n ALA 55 N -2.48 5.99 -0.63 6.62 0.00 -1.26 -5.01 120.51 123.74 1fun n ALA 55 Ca -0.12 -2.87 0.00 0.00 0.00 0.00 0.00 53.44 50.45 1fun n ALA 55 Cb 0.33 -1.76 0.00 0.00 0.00 0.00 0.00 19.45 18.02 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 -0.04 -0.54 0.00 0.00 0.00 -1.10 -3.20 105.19 100.31 1fun n GLY 56 Ca 0.47 -1.07 0.03 0.00 0.00 0.00 0.00 46.02 45.45 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 1.37 0.00 0.00 2.02 -1.88 -2.57 112.91 111.85 1fun h THR 58 Ca 0.00 -1.92 0.00 0.00 0.77 0.00 0.00 66.41 65.26 1fun h THR 58 Cb 0.09 1.96 0.00 0.00 -1.74 0.00 0.00 68.15 68.46 1fun h THR 58 CO 0.00 0.57 0.00 -1.54 0.37 0.00 0.00 175.52 174.92 1fun n SER 59 N -3.89 0.00 0.30 4.18 3.41 -0.96 -3.47 113.62 113.19 1fun n SER 59 Ca -0.02 -0.98 0.19 0.00 -0.26 0.00 0.00 58.87 57.80 1fun n SER 59 Cb 0.60 -0.00 0.96 0.00 -0.26 0.00 0.00 64.21 65.51 1fun n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1fun h ALA 60 N 3.97 1.09 0.00 7.33 0.00 -1.45 -3.41 119.26 126.78 1fun h ALA 60 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1fun h ALA 60 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1fun h ALA 60 CO 0.00 0.03 0.00 0.41 0.00 0.00 0.00 179.25 179.69 1fun n GLY 61 N -0.70 -2.19 3.33 0.00 0.00 -1.23 -1.13 105.19 103.27 1fun n GLY 61 Ca -0.02 -1.55 -0.26 0.00 0.00 0.00 0.00 46.02 44.20 1fun n GLY 61 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1fun n PRO 62 N -0.24 -1.38 -2.05 1.61 -0.04 -1.26 -4.56 135.00 127.07 1fun n PRO 62 Ca 0.00 -1.76 -0.42 0.00 -0.04 0.00 0.00 63.50 61.28 1fun n PRO 62 Cb 0.00 -1.23 -0.03 0.00 -0.04 0.00 0.00 33.50 32.20 1fun n PRO 62 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1fun s HIS 63 N -3.43 3.09 -0.57 0.54 3.76 -1.26 -0.28 115.29 117.14 1fun s HIS 63 Ca 0.65 0.98 -0.29 0.00 -0.15 0.00 0.00 55.06 56.25 1fun s HIS 63 Cb -0.02 -3.79 -0.12 0.00 1.11 0.00 0.00 32.58 29.76 1fun s HIS 63 CO 0.46 -2.64 2.43 0.34 -0.85 0.00 0.00 174.74 174.48 1fun n PHE 64 N 2.85 1.28 -3.28 1.40 7.35 -0.47 -4.58 117.46 122.02 1fun n PHE 64 Ca 0.08 0.21 -0.26 0.00 -0.76 0.00 0.00 57.45 56.72 1fun n PHE 64 Cb 0.41 -2.56 -0.07 0.00 0.35 0.00 0.00 39.48 37.61 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 12.96 3.13 -0.23 -2.13 5.15 -1.26 -2.24 115.26 130.64 1fun n ASN 65 Ca 0.45 -3.34 0.05 0.00 -0.60 0.00 0.00 54.58 51.14 1fun n ASN 65 Cb 0.34 -0.64 0.30 0.00 -0.53 0.00 0.00 39.78 39.25 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 3.85 0.85 -0.47 1.20 0.13 -1.95 -2.29 132.00 133.32 1fun h PRO 66 Ca 0.16 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1fun h PRO 66 Cb 0.68 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 31.62 1fun h PRO 66 CO 0.75 0.56 0.00 1.28 -0.23 0.00 0.00 178.00 180.37 1fun n LEU 67 N -4.48 1.86 -4.12 1.56 4.77 -1.26 -4.91 117.00 110.42 1fun n LEU 67 Ca 0.11 -0.94 -0.32 0.00 -0.03 0.00 0.00 56.01 54.84 1fun n LEU 67 Cb 0.20 -0.31 -0.03 0.00 -2.33 0.00 0.00 43.42 40.95 1fun n LEU 67 CO 0.34 0.36 -0.12 -1.20 -1.33 0.00 0.00 177.39 175.44 1fun n SER 68 N 0.26 -2.02 -4.88 -1.43 7.64 -0.86 -4.96 113.62 107.36 1fun n SER 68 Ca 0.09 -1.02 -0.21 0.00 1.01 0.00 0.00 58.87 58.74 1fun n SER 68 Cb 0.35 -2.84 0.07 0.00 -1.01 0.00 0.00 64.21 60.78 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 -6.81 2.18 0.60 1.43 1.81 -1.26 -5.12 118.95 111.78 1fun s ARG 69 Ca 0.43 -1.19 -0.00 0.00 -1.72 0.00 0.00 55.73 53.24 1fun s ARG 69 Cb -0.23 -2.50 0.05 0.00 -0.45 0.00 0.00 34.95 31.81 1fun s ARG 69 CO 0.91 -0.98 0.84 0.15 -0.68 0.00 0.00 175.30 175.55 1fun s LYS 70 N -4.83 2.38 0.36 3.54 1.02 -1.26 -4.76 119.74 116.18 1fun s LYS 70 Ca 0.62 -0.74 -0.26 0.00 0.02 0.00 0.00 55.97 55.61 1fun s LYS 70 Cb -0.07 -2.42 -0.09 0.00 -0.52 0.00 0.00 37.83 34.73 1fun s LYS 70 CO 0.40 -0.89 1.07 -1.58 -0.92 0.00 0.00 175.35 173.43 1fun s HIS 71 N -2.89 3.36 0.11 3.18 5.65 -0.62 -2.85 115.29 121.24 1fun s HIS 71 Ca 0.59 1.66 -0.16 0.00 0.25 0.00 0.00 55.06 57.40 1fun s HIS 71 Cb -0.10 -3.19 0.06 0.00 -1.18 0.00 0.00 32.58 28.17 1fun s HIS 71 CO 0.40 -0.62 0.76 0.41 -0.65 0.00 0.00 174.74 175.03 1fun n GLY 72 N 0.64 0.74 3.83 1.59 0.00 -1.25 -4.40 105.19 106.34 1fun n GLY 72 Ca 0.03 -1.07 -0.29 0.00 0.00 0.00 0.00 46.02 44.69 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 -3.06 1.59 0.50 -0.02 0.00 -1.19 -4.72 107.32 100.42 1fun s GLY 73 Ca 0.17 -0.52 0.28 0.00 0.00 0.00 0.00 44.72 44.65 1fun s GLY 73 CO 0.03 -0.01 1.96 -0.56 0.00 0.00 0.00 173.10 174.52 1fun h PRO 74 N -1.26 0.00 -0.01 2.90 0.13 -1.88 -2.37 132.00 129.52 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 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1fun h PRO 74 CO 0.63 0.14 -0.23 1.63 -0.23 0.00 0.00 178.00 179.95 1fun n LYS 75 N -3.40 0.74 -2.18 0.86 5.02 -1.26 -4.90 118.16 113.05 1fun n LYS 75 Ca -0.01 -0.39 -0.28 0.00 -2.02 0.00 0.00 58.31 55.62 1fun n LYS 75 Cb 0.33 -1.49 0.04 0.00 -0.02 0.00 0.00 35.03 33.89 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 -2.53 5.54 -0.15 4.39 1.01 -0.89 -5.01 116.67 119.03 1fun s ASP 76 Ca 0.25 0.90 0.07 0.00 0.71 0.00 0.00 52.55 54.47 1fun s ASP 76 Cb 0.19 -1.81 -0.23 0.00 1.01 0.00 0.00 42.92 42.09 1fun s ASP 76 CO 0.52 -1.18 0.25 -1.84 0.21 0.00 0.00 175.17 173.13 1fun n GLU 77 N -2.76 0.68 -2.94 8.23 0.28 -1.26 -4.63 120.64 118.25 1fun n GLU 77 Ca 0.05 0.18 -0.44 0.00 -0.16 0.00 0.00 57.16 56.80 1fun n GLU 77 Cb 0.57 -1.65 -0.04 0.00 1.43 0.00 0.00 31.44 31.76 1fun n GLU 77 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 1fun s GLU 78 N -2.54 3.10 0.02 3.44 2.56 -1.26 -4.93 118.70 119.08 1fun s GLU 78 Ca -0.17 -1.01 -0.28 0.00 0.00 0.00 0.00 54.97 53.51 1fun s GLU 78 Cb 0.07 -4.26 0.07 0.00 2.00 0.00 0.00 34.13 32.02 1fun s GLU 78 CO 0.76 -1.73 0.66 -0.98 -0.56 0.00 0.00 175.26 173.41 1fun s ARG 79 N 3.61 1.12 0.63 4.30 1.70 -1.13 -3.95 118.95 125.23 1fun s ARG 79 Ca 0.19 -0.00 -0.14 0.00 -0.47 0.00 0.00 55.73 55.31 1fun s ARG 79 Cb -0.19 0.52 -0.02 0.00 -0.57 0.00 0.00 34.95 34.70 1fun s ARG 79 CO 0.08 -0.41 1.06 -1.01 -1.08 0.00 0.00 175.30 173.95 1fun s HIS 80 N -2.10 3.01 0.37 5.89 3.76 -1.15 -4.75 115.29 120.32 1fun s HIS 80 Ca -0.06 1.49 0.05 0.00 -0.15 0.00 0.00 55.06 56.38 1fun s HIS 80 Cb -0.00 -2.97 0.70 0.00 1.11 0.00 0.00 32.58 31.42 1fun s HIS 80 CO 0.02 -1.17 1.96 0.28 -0.85 0.00 0.00 174.74 174.97 1fun h VAL 81 N 0.04 1.16 -0.24 -0.90 2.07 -1.85 -2.24 116.25 114.29 1fun h VAL 81 Ca -0.46 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 66.56 1fun h VAL 81 Cb 1.22 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 31.68 1fun h VAL 81 CO 0.57 0.19 0.00 0.61 0.02 0.00 0.00 177.57 178.96 1fun n GLY 82 N -1.17 2.07 3.45 2.17 0.00 -0.95 -4.44 105.19 106.32 1fun n GLY 82 Ca 0.03 -0.38 -0.44 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.34 6.57 -0.09 1.61 1.01 -0.84 -0.04 116.67 124.54 1fun s ASP 83 Ca 0.23 -1.93 0.12 0.00 0.71 0.00 0.00 52.55 51.68 1fun s ASP 83 Cb 0.17 -2.40 0.50 0.00 1.01 0.00 0.00 42.92 42.21 1fun s ASP 83 CO 0.07 -1.10 1.35 0.18 0.21 0.00 0.00 175.17 175.88 1fun n LEU 84 N 6.64 3.50 0.00 1.23 4.77 -1.02 -3.59 117.00 128.52 1fun n LEU 84 Ca 0.20 -1.77 0.00 0.00 -0.03 0.00 0.00 56.01 54.42 1fun n LEU 84 Cb 0.49 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1fun n LEU 84 CO 0.52 0.58 0.00 0.61 -1.33 0.00 0.00 177.39 177.76 1fun n GLY 85 N 0.81 1.21 3.44 -0.72 0.00 -1.20 -4.78 105.19 103.96 1fun n GLY 85 Ca 0.18 -0.72 -0.26 0.00 0.00 0.00 0.00 46.02 45.22 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 3.51 0.42 1.61 0.01 -1.26 0.11 114.94 115.35 1fun s ASN 86 Ca 0.00 -0.90 0.07 0.00 -0.71 0.00 0.00 52.86 51.32 1fun s ASN 86 Cb 0.00 -0.29 -0.06 0.00 0.41 0.00 0.00 41.25 41.31 1fun s ASN 86 CO 0.00 0.10 0.13 0.68 -1.51 0.00 0.00 177.10 176.50 1fun s VAL 87 N -1.90 2.17 -0.10 1.60 -7.23 0.02 -4.87 120.40 110.09 1fun s VAL 87 Ca 0.23 -1.79 -0.00 0.00 -1.81 0.00 0.00 61.98 58.62 1fun s VAL 87 Cb -0.07 -2.96 0.02 0.00 0.56 0.00 0.00 36.38 33.93 1fun s VAL 87 CO 0.11 0.00 -0.07 -0.89 -0.31 0.00 0.00 175.10 173.94 1fun s THR 88 N -2.64 0.98 0.07 5.32 2.01 -1.26 -1.84 115.64 118.27 1fun s THR 88 Ca 0.38 -0.28 -0.11 0.00 0.31 0.00 0.00 61.69 61.99 1fun s THR 88 Cb 0.05 -1.00 -0.06 0.00 0.01 0.00 0.00 72.50 71.51 1fun s THR 88 CO 0.21 0.36 0.41 0.00 -0.69 0.00 0.00 174.62 174.91 1fun s ALA 89 N 1.60 3.71 0.71 7.40 0.00 0.13 -4.31 121.76 130.99 1fun s ALA 89 Ca 0.03 -0.32 0.00 0.00 0.00 0.00 0.00 51.96 51.66 1fun s ALA 89 Cb -0.13 -2.32 0.00 0.00 0.00 0.00 0.00 23.12 20.67 1fun s ALA 89 CO -0.07 0.54 0.00 -0.40 0.00 0.00 0.00 175.76 175.83 1fun n ASP 90 N 1.09 0.00 0.19 0.00 5.68 -0.72 -1.60 116.55 121.20 1fun n ASP 90 Ca -0.09 -0.71 0.04 0.00 -0.50 0.00 0.00 54.79 53.53 1fun n ASP 90 Cb 0.52 0.00 0.45 0.00 -1.14 0.00 0.00 41.12 40.95 1fun n ASP 90 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 1fun h LYS 91 N 0.00 0.07 -0.01 0.11 2.10 -1.95 -1.14 116.57 115.75 1fun h LYS 91 Ca 0.00 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 1fun h LYS 91 Cb 0.00 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.32 1fun h LYS 91 CO 0.00 0.26 0.00 -0.25 -2.00 0.00 0.00 179.45 177.46 1fun n ASP 92 N -4.28 0.06 -0.31 7.07 8.00 -1.26 -4.78 116.55 121.05 1fun n ASP 92 Ca -0.02 -1.61 -0.04 0.00 0.71 0.00 0.00 54.79 53.83 1fun n ASP 92 Cb 0.27 -0.01 -0.02 0.00 -0.02 0.00 0.00 41.12 41.35 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 0.71 0.62 3.68 0.44 0.00 -0.43 -4.66 105.19 105.55 1fun n GLY 93 Ca 0.10 -0.23 -0.36 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.86 5.36 -0.37 1.61 1.01 -1.26 -0.81 120.40 124.08 1fun s VAL 94 Ca 0.00 0.23 -0.05 0.00 0.00 0.00 0.00 61.98 62.16 1fun s VAL 94 Cb 0.00 -3.51 0.08 0.00 0.00 0.00 0.00 36.38 32.95 1fun s VAL 94 CO 0.00 0.37 0.16 0.00 0.00 0.00 0.00 175.10 175.62 1fun s ALA 95 N 0.88 3.09 -0.73 5.51 0.00 0.11 -1.75 121.76 128.87 1fun s ALA 95 Ca 0.09 -2.13 -0.24 0.00 0.00 0.00 0.00 51.96 49.68 1fun s ALA 95 Cb -0.13 -2.34 0.06 0.00 0.00 0.00 0.00 23.12 20.70 1fun s ALA 95 CO 0.03 -1.56 1.14 -0.51 0.00 0.00 0.00 175.76 174.85 1fun s ASP 96 N 1.71 6.21 0.41 0.00 1.01 -1.26 -0.92 116.67 123.82 1fun s ASP 96 Ca 0.02 -0.85 -0.23 0.00 0.71 0.00 0.00 52.55 52.20 1fun s ASP 96 Cb -0.22 -2.49 -0.09 0.00 1.01 0.00 0.00 42.92 41.14 1fun s ASP 96 CO -0.01 -1.59 1.03 -0.69 0.21 0.00 0.00 175.17 174.12 1fun s VAL 97 N 4.75 3.84 -0.31 -1.27 1.01 0.31 -4.91 120.40 123.81 1fun s VAL 97 Ca 0.30 1.34 0.03 0.00 0.00 0.00 0.00 61.98 63.65 1fun s VAL 97 Cb -0.11 -3.66 0.19 0.00 0.00 0.00 0.00 36.38 32.80 1fun s VAL 97 CO 0.10 -0.05 0.68 -0.55 0.00 0.00 0.00 175.10 175.27 1fun s SER 98 N -1.70 -1.40 0.19 3.32 0.15 -1.25 -2.91 113.70 110.10 1fun s SER 98 Ca 0.59 0.01 0.07 0.00 0.70 0.00 0.00 55.95 57.33 1fun s SER 98 Cb -0.19 1.86 -0.05 0.00 -1.71 0.00 0.00 66.02 65.93 1fun s SER 98 CO 0.25 -0.24 -0.14 -0.63 1.20 0.00 0.00 173.24 173.67 1fun s ILE 99 N 2.68 1.64 -0.06 6.45 1.01 -0.40 -5.00 121.20 127.52 1fun s ILE 99 Ca 0.14 -2.13 -0.02 0.00 0.00 0.00 0.00 60.65 58.63 1fun s ILE 99 Cb -0.07 -1.97 0.03 0.00 0.01 0.00 0.00 42.46 40.46 1fun s ILE 99 CO -0.22 -0.58 0.04 -0.70 0.00 0.00 0.00 174.94 173.48 1fun s GLU 100 N -3.52 0.17 0.16 2.79 2.12 -1.26 -1.62 118.70 117.55 1fun s GLU 100 Ca 0.20 0.24 0.08 0.00 0.36 0.00 0.00 54.97 55.86 1fun s GLU 100 Cb -0.01 -0.78 -0.04 0.00 0.26 0.00 0.00 34.13 33.56 1fun s GLU 100 CO 0.06 -0.35 -0.17 0.34 -0.54 0.00 0.00 175.26 174.59 1fun s ASP 101 N 2.10 2.58 -0.12 -1.70 2.15 0.23 -4.91 116.67 116.99 1fun s ASP 101 Ca 0.05 -0.87 0.02 0.00 0.43 0.00 0.00 52.55 52.18 1fun s ASP 101 Cb -0.12 -0.14 -0.09 0.00 -0.30 0.00 0.00 42.92 42.27 1fun s ASP 101 CO -0.04 -0.06 -0.10 -1.20 -0.17 0.00 0.00 175.17 173.60 1fun n SER 102 N 0.27 2.97 -0.19 -0.34 7.64 -1.26 0.82 113.62 123.54 1fun n SER 102 Ca -0.13 -0.06 -0.06 0.00 1.01 0.00 0.00 58.87 59.63 1fun n SER 102 Cb 0.57 -0.10 0.10 0.00 -1.01 0.00 0.00 64.21 63.77 1fun n SER 102 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1fun h VAL 103 N 0.00 1.25 -4.35 0.44 2.07 -1.93 -3.45 116.25 110.29 1fun h VAL 103 Ca -0.28 -1.00 -0.51 0.00 0.82 0.00 0.00 66.70 65.73 1fun h VAL 103 Cb 1.45 0.70 0.08 0.00 -1.52 0.00 0.00 31.29 32.01 1fun h VAL 103 CO -0.04 0.37 0.39 0.27 0.02 0.00 0.00 177.57 178.58 1fun s ILE 104 N -5.14 4.25 0.17 4.57 -4.36 -1.26 -4.94 121.20 114.48 1fun s ILE 104 Ca -0.11 0.73 -0.13 0.00 -0.26 0.00 0.00 60.65 60.88 1fun s ILE 104 Cb 0.15 -3.58 0.01 0.00 1.25 0.00 0.00 42.46 40.29 1fun s ILE 104 CO 0.83 -0.95 0.39 -0.55 0.24 0.00 0.00 174.94 174.90 1fun s SER 105 N -3.97 -0.11 0.00 4.36 0.15 -0.18 -4.67 113.70 109.27 1fun s SER 105 Ca 0.57 -0.62 0.22 0.00 0.70 0.00 0.00 55.95 56.82 1fun s SER 105 Cb -0.13 0.49 0.56 0.00 -1.71 0.00 0.00 66.02 65.23 1fun s SER 105 CO 0.54 -0.94 1.47 0.18 1.20 0.00 0.00 173.24 175.69 1fun n LEU 106 N -0.26 3.73 -3.82 3.45 4.77 -1.26 -1.02 117.00 122.59 1fun n LEU 106 Ca -0.10 -1.86 -0.11 0.00 -0.03 0.00 0.00 56.01 53.90 1fun n LEU 106 Cb 0.63 -0.40 -0.08 0.00 -2.33 0.00 0.00 43.42 41.23 1fun n LEU 106 CO 0.20 0.90 -0.07 -0.44 -1.33 0.00 0.00 177.39 176.65 1fun s SER 107 N -1.12 -0.03 0.28 -1.43 0.01 -1.26 -0.94 113.70 109.21 1fun s SER 107 Ca 0.44 -0.24 0.00 0.00 1.31 0.00 0.00 55.95 57.46 1fun s SER 107 Cb 0.24 0.29 0.00 0.00 0.21 0.00 0.00 66.02 66.75 1fun s SER 107 CO 0.31 -0.52 0.00 0.61 0.41 0.00 0.00 173.24 174.05 1fun n GLY 108 N 0.89 -1.93 0.17 3.44 0.00 -1.26 -4.07 105.19 102.43 1fun n GLY 108 Ca -0.20 -1.28 0.10 0.00 0.00 0.00 0.00 46.02 44.64 1fun n GLY 108 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1fun n ASP 109 N -2.63 0.02 -2.16 1.61 9.92 -1.26 -0.40 116.55 121.65 1fun n ASP 109 Ca 0.00 0.85 -0.28 0.00 -0.53 0.00 0.00 54.79 54.84 1fun n ASP 109 Cb 0.32 -0.34 0.08 0.00 -0.64 0.00 0.00 41.12 40.53 1fun n ASP 109 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 1fun n HIS 110 N -4.43 2.67 -2.87 1.24 8.25 -1.26 -4.97 115.22 113.85 1fun n HIS 110 Ca 0.14 -2.53 -0.40 0.00 -0.26 0.00 0.00 57.72 54.68 1fun n HIS 110 Cb 0.48 -1.23 -0.06 0.00 1.12 0.00 0.00 29.99 30.31 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 -1.14 7.48 0.00 0.41 0.15 0.47 -1.01 113.70 120.06 1fun s SER 111 Ca 0.53 1.76 0.22 0.00 0.70 0.00 0.00 55.95 59.16 1fun s SER 111 Cb 0.42 -2.55 -0.02 0.00 -1.71 0.00 0.00 66.02 62.16 1fun s SER 111 CO 0.01 0.14 1.06 2.30 1.20 0.00 0.00 173.24 177.95 1fun n ILE 112 N 1.82 0.00 -1.99 6.45 -5.35 -0.19 -4.91 119.36 115.19 1fun n ILE 112 Ca -0.03 -0.16 -0.42 0.00 -0.27 0.00 0.00 62.75 61.86 1fun n ILE 112 Cb 0.48 1.10 -0.03 0.00 -1.74 0.00 0.00 39.64 39.46 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 -2.66 2.99 0.00 7.28 1.01 -1.26 -1.33 121.20 127.22 1fun s ILE 113 Ca 0.15 0.59 0.00 0.00 0.00 0.00 0.00 60.65 61.39 1fun s ILE 113 Cb 0.17 -3.38 0.00 0.00 0.01 0.00 0.00 42.46 39.27 1fun s ILE 113 CO 0.67 0.02 0.00 0.61 0.00 0.00 0.00 174.94 176.24 1fun n GLY 114 N 3.81 0.71 3.16 6.18 0.00 0.11 -5.01 105.19 114.15 1fun n GLY 114 Ca 0.14 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 1fun n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fun n ARG 115 N -2.53 0.86 -3.96 1.61 1.74 -0.44 -3.10 116.66 110.83 1fun n ARG 115 Ca 0.00 -2.97 -0.35 0.00 -0.77 0.00 0.00 57.85 53.76 1fun n ARG 115 Cb 0.00 0.48 -0.14 0.00 -1.02 0.00 0.00 32.46 31.78 1fun n ARG 115 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1fun s THR 116 N -2.38 3.53 0.11 0.55 2.01 -0.99 -0.07 115.64 118.40 1fun s THR 116 Ca 0.18 -0.44 -0.27 0.00 0.31 0.00 0.00 61.69 61.46 1fun s THR 116 Cb -0.01 -2.60 -0.06 0.00 0.01 0.00 0.00 72.50 69.83 1fun s THR 116 CO 0.11 0.42 0.85 -0.22 -0.69 0.00 0.00 174.62 175.09 1fun s LEU 117 N 1.37 4.51 -0.02 4.42 2.96 -0.80 -0.31 118.68 130.82 1fun s LEU 117 Ca 0.04 1.65 0.02 0.00 -0.22 0.00 0.00 54.13 55.62 1fun s LEU 117 Cb -0.14 -3.40 0.00 0.00 0.50 0.00 0.00 46.19 43.15 1fun s LEU 117 CO -0.01 0.04 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.30 1fun s VAL 118 N -0.35 0.54 -0.12 1.68 1.01 -0.46 -1.96 120.40 120.72 1fun s VAL 118 Ca 0.41 -0.24 -0.00 0.00 0.00 0.00 0.00 61.98 62.15 1fun s VAL 118 Cb -0.22 -0.49 -0.02 0.00 0.00 0.00 0.00 36.38 35.65 1fun s VAL 118 CO 0.27 0.17 -0.12 0.54 0.00 0.00 0.00 175.10 175.96 1fun s VAL 119 N 0.15 3.16 0.49 2.92 0.11 -0.92 -1.77 120.40 124.55 1fun s VAL 119 Ca -0.02 -0.63 0.08 0.00 -2.93 0.00 0.00 61.98 58.49 1fun s VAL 119 Cb -0.06 -2.32 0.04 0.00 -1.53 0.00 0.00 36.38 32.50 1fun s VAL 119 CO -0.00 0.53 0.62 -1.00 -3.33 0.00 0.00 175.10 171.92 1fun s HIS 120 N 0.22 2.16 0.00 1.54 3.76 0.09 -1.77 115.29 121.29 1fun s HIS 120 Ca -0.08 -0.57 -0.22 0.00 -0.15 0.00 0.00 55.06 54.04 1fun s HIS 120 Cb -0.15 -2.26 -0.12 0.00 1.11 0.00 0.00 32.58 31.16 1fun s HIS 120 CO 0.05 -0.68 0.98 1.49 -0.85 0.00 0.00 174.74 175.73 1fun h GLU 121 N 0.51 -0.77 0.00 1.40 4.81 -1.03 -3.38 114.58 116.11 1fun h GLU 121 Ca -0.36 0.05 -0.34 0.00 -0.13 0.00 0.00 59.36 58.58 1fun h GLU 121 Cb 1.28 0.18 0.02 0.00 0.63 0.00 0.00 28.75 30.86 1fun h GLU 121 CO 0.46 -0.52 -0.04 1.63 -0.73 0.00 0.00 179.01 179.81 1fun n LYS 122 N -5.04 0.66 -3.09 1.92 5.02 0.24 -4.82 118.16 113.05 1fun n LYS 122 Ca -0.10 -2.20 -0.36 0.00 -2.02 0.00 0.00 58.31 53.63 1fun n LYS 122 Cb 0.32 -0.20 -0.06 0.00 -0.02 0.00 0.00 35.03 35.07 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 -2.55 3.40 -0.02 7.82 0.00 -1.06 -1.38 121.76 127.98 1fun s ALA 123 Ca 0.44 0.17 -0.29 0.00 0.00 0.00 0.00 51.96 52.28 1fun s ALA 123 Cb -0.03 -2.83 -0.03 0.00 0.00 0.00 0.00 23.12 20.23 1fun s ALA 123 CO 0.28 0.32 0.93 0.34 0.00 0.00 0.00 175.76 177.63 1fun s ASP 124 N -1.67 7.29 -0.03 0.00 -1.08 -1.26 -4.12 116.67 115.80 1fun s ASP 124 Ca 0.44 1.56 0.07 0.00 -0.52 0.00 0.00 52.55 54.10 1fun s ASP 124 Cb -0.17 -2.54 0.26 0.00 -1.46 0.00 0.00 42.92 39.01 1fun s ASP 124 CO 0.21 -0.25 1.10 -0.90 0.52 0.00 0.00 175.17 175.84 1fun n ASP 125 N 4.00 1.92 -1.99 -0.34 5.68 0.31 -4.88 116.55 121.25 1fun n ASP 125 Ca 0.05 -2.13 -0.12 0.00 -0.50 0.00 0.00 54.79 52.09 1fun n ASP 125 Cb 0.51 -0.33 -0.02 0.00 -1.14 0.00 0.00 41.12 40.13 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 0.25 -1.01 0.00 -2.12 4.77 -1.26 -1.44 117.00 116.19 1fun n LEU 126 Ca 0.09 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.31 1fun n LEU 126 Cb 0.37 -2.00 0.00 0.00 -2.33 0.00 0.00 43.42 39.46 1fun n LEU 126 CO 0.08 -0.33 0.00 0.61 -1.33 0.00 0.00 177.39 176.42 1fun n GLY 127 N -0.56 1.41 1.52 -0.72 0.00 -1.25 -3.16 105.19 102.43 1fun n GLY 127 Ca -0.13 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.00 2.78 0.12 1.61 5.02 -0.52 -4.42 118.16 120.73 1fun n LYS 128 Ca 0.00 -1.92 0.09 0.00 -2.02 0.00 0.00 58.31 54.46 1fun n LYS 128 Cb 0.00 -1.88 0.02 0.00 -0.02 0.00 0.00 35.03 33.15 1fun n LYS 128 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1fun h GLY 129 N 3.51 0.00 0.00 0.72 0.00 -1.90 -3.49 103.07 101.91 1fun h GLY 129 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.49 1fun h GLY 129 CO 0.46 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.61 1fun n GLY 130 N 1.20 2.21 3.68 4.60 0.00 -1.26 -4.99 105.19 110.63 1fun n GLY 130 Ca -0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.85 4.71 0.28 1.61 4.22 -1.26 -5.02 114.94 117.63 1fun s ASN 131 Ca 0.00 -0.59 -0.03 0.00 -2.14 0.00 0.00 52.86 50.09 1fun s ASN 131 Cb 0.00 -0.93 0.58 0.00 1.28 0.00 0.00 41.25 42.18 1fun s ASN 131 CO 0.00 -0.02 1.59 -0.08 -2.04 0.00 0.00 177.10 176.55 1fun h GLU 132 N 1.80 0.04 -0.19 3.55 4.81 -2.01 0.56 114.58 123.14 1fun h GLU 132 Ca -0.45 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 58.78 1fun h GLU 132 Cb 1.25 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.61 1fun h GLU 132 CO 0.61 0.03 0.11 1.49 -0.73 0.00 0.00 179.01 180.52 1fun h GLU 133 N 0.04 0.25 -0.49 1.92 4.57 -2.00 -2.65 114.58 116.23 1fun h GLU 133 Ca 0.51 -0.02 0.02 0.00 -1.18 0.00 0.00 59.36 58.69 1fun h GLU 133 Cb 0.95 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 29.45 1fun h GLU 133 CO -0.84 0.18 0.33 1.03 -1.18 0.00 0.00 179.01 178.52 1fun h SER 134 N 0.26 0.51 -0.24 1.04 0.87 -1.23 0.13 113.55 114.89 1fun h SER 134 Ca 0.07 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 1fun h SER 134 Cb -0.01 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 61.83 1fun h SER 134 CO -0.01 0.36 0.00 0.35 -0.53 0.00 0.00 176.83 177.00 1fun n THR 135 N -4.47 0.32 0.00 2.23 -2.24 -1.00 -2.35 114.28 106.77 1fun n THR 135 Ca 0.05 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 1fun n THR 135 Cb 0.11 0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.55 1fun n THR 135 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1fun n GLU 136 N 0.28 0.00 0.00 -0.78 1.02 -0.59 -1.59 120.64 118.98 1fun n GLU 136 Ca 0.12 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.26 1fun n GLU 136 Cb 0.26 -0.44 0.00 0.00 -0.02 0.00 0.00 31.44 31.23 1fun n GLU 136 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1fun n THR 137 N -2.94 0.30 -1.18 2.62 -2.24 0.36 -4.81 114.28 106.38 1fun n THR 137 Ca 0.00 -0.51 -0.06 0.00 -2.27 0.00 0.00 64.05 61.20 1fun n THR 137 Cb 0.44 1.01 -0.03 0.00 -2.10 0.00 0.00 70.33 69.66 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 -0.15 0.74 2.98 3.38 0.00 -0.99 -2.33 105.19 108.82 1fun n GLY 138 Ca 0.00 -0.15 -0.22 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.54 -5.51 0.00 1.61 3.02 -1.25 -0.53 115.26 112.05 1fun n ASN 139 Ca -0.06 -0.25 0.11 0.00 -0.03 0.00 0.00 54.58 54.35 1fun n ASN 139 Cb 0.40 -4.49 0.53 0.00 -0.61 0.00 0.00 39.78 35.61 1fun n ASN 139 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1fun n ALA 140 N -3.30 2.10 -0.09 5.41 0.00 -0.98 -4.66 120.51 118.99 1fun n ALA 140 Ca -0.11 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1fun n ALA 140 Cb 0.61 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.69 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 0.83 -1.68 3.62 0.00 0.00 -1.26 -0.60 105.19 106.11 1fun n GLY 141 Ca 0.07 -1.34 -0.29 0.00 0.00 0.00 0.00 46.02 44.46 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 2.36 -0.38 1.61 1.04 -1.26 -4.59 113.70 108.48 1fun s SER 142 Ca 0.00 1.63 -0.18 0.00 0.48 0.00 0.00 55.95 57.89 1fun s SER 142 Cb 0.00 -2.29 0.01 0.00 0.10 0.00 0.00 66.02 63.84 1fun s SER 142 CO 0.00 -3.36 0.48 -0.13 0.98 0.00 0.00 173.24 171.21 1fun s ARG 143 N -4.70 3.41 -0.02 4.02 0.52 -1.26 -1.02 118.95 119.90 1fun s ARG 143 Ca 0.66 -0.42 -0.03 0.00 -0.52 0.00 0.00 55.73 55.43 1fun s ARG 143 Cb -0.22 -3.87 -0.27 0.00 0.52 0.00 0.00 34.95 31.11 1fun s ARG 143 CO 0.60 -0.73 0.76 -0.07 0.02 0.00 0.00 175.30 175.88 1fun h LEU 144 N 9.09 0.38 -7.58 2.53 3.38 -1.65 -3.48 115.31 117.98 1fun h LEU 144 Ca -0.27 -0.58 -0.06 0.00 0.09 0.00 0.00 57.88 57.06 1fun h LEU 144 Cb 1.12 -0.12 -0.13 0.00 0.09 0.00 0.00 40.66 41.62 1fun h LEU 144 CO 0.78 1.49 -0.14 0.00 0.09 0.00 0.00 178.44 180.67 1fun s ALA 145 N -2.60 -0.71 0.16 1.53 0.00 -1.21 -4.06 121.76 114.87 1fun s ALA 145 Ca -0.11 -0.26 -0.23 0.00 0.00 0.00 0.00 51.96 51.36 1fun s ALA 145 Cb 0.07 0.70 0.08 0.00 0.00 0.00 0.00 23.12 23.96 1fun s ALA 145 CO 0.84 -0.64 1.06 0.00 0.00 0.00 0.00 175.76 177.02 1fun s GLY 147 N -3.39 0.17 0.04 0.00 0.00 -0.83 -1.21 107.32 102.10 1fun s GLY 147 Ca 0.22 3.07 -0.30 0.00 0.00 0.00 0.00 44.72 47.70 1fun s GLY 147 CO 0.04 1.44 1.34 0.14 0.00 0.00 0.00 173.10 176.07 1fun s VAL 148 N -0.59 3.71 -0.18 1.40 1.01 -1.26 -1.90 120.40 122.60 1fun s VAL 148 Ca 0.08 1.16 -0.29 0.00 0.00 0.00 0.00 61.98 62.93 1fun s VAL 148 Cb -0.03 -3.75 -0.01 0.00 0.00 0.00 0.00 36.38 32.59 1fun s VAL 148 CO -0.10 0.04 1.28 -0.63 0.00 0.00 0.00 175.10 175.68 1fun s ILE 149 N 1.80 4.25 0.29 2.22 1.01 0.90 -4.57 121.20 127.10 1fun s ILE 149 Ca 0.62 1.51 0.08 0.00 0.00 0.00 0.00 60.65 62.86 1fun s ILE 149 Cb -0.32 -4.00 -0.06 0.00 0.01 0.00 0.00 42.46 38.09 1fun s ILE 149 CO 0.28 -0.17 -0.09 -0.83 0.00 0.00 0.00 174.94 174.13 1fun s GLY 150 N 2.09 1.92 0.06 6.18 0.00 -0.51 0.05 107.32 117.11 1fun s GLY 150 Ca 0.55 -1.94 -0.31 0.00 0.00 0.00 0.00 44.72 43.02 1fun s GLY 150 CO 0.16 -1.91 1.44 -0.42 0.00 0.00 0.00 173.10 172.37 1fun s ILE 151 N -2.84 3.43 0.46 0.90 1.01 -1.26 -0.78 121.20 122.12 1fun s ILE 151 Ca 0.30 0.93 0.08 0.00 0.00 0.00 0.00 60.65 61.96 1fun s ILE 151 Cb 0.02 -3.60 0.02 0.00 0.01 0.00 0.00 42.46 38.92 1fun s ILE 151 CO 0.13 0.03 0.57 0.00 0.00 0.00 0.00 174.94 175.67 1fun s ALA 152 N 1.92 4.48 -2.36 9.38 0.00 -0.25 -4.82 121.76 130.10 1fun s ALA 152 Ca 0.66 -1.79 0.29 0.00 0.00 0.00 0.00 51.96 51.12 1fun s ALA 152 Cb -0.35 -1.44 1.30 0.00 0.00 0.00 0.00 23.12 22.63 1fun s ALA 152 CO 0.29 -0.40 1.89 0.94 0.00 0.00 0.00 175.76 178.47