#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 0.49 -4.30 0.00 -1.04 -1.26 -4.73 114.28 103.43 1fun n THR 2 Ca 0.00 -0.17 -0.18 0.00 -2.04 0.00 0.00 64.05 61.65 1fun n THR 2 Cb 0.00 -0.96 -0.13 0.00 -1.82 0.00 0.00 70.33 67.41 1fun n THR 2 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1fun s LYS 3 N -2.17 0.81 0.05 -2.82 1.02 -1.26 0.37 119.74 115.73 1fun s LYS 3 Ca -0.12 -0.65 -0.05 0.00 0.02 0.00 0.00 55.97 55.18 1fun s LYS 3 Cb 0.03 -0.77 -0.02 0.00 -0.52 0.00 0.00 37.83 36.55 1fun s LYS 3 CO 0.19 0.19 0.08 0.00 -0.92 0.00 0.00 175.35 174.89 1fun s ALA 4 N -0.77 0.04 0.16 5.17 0.00 -0.80 -1.19 121.76 124.38 1fun s ALA 4 Ca 0.00 -0.71 -0.01 0.00 0.00 0.00 0.00 51.96 51.24 1fun s ALA 4 Cb -0.07 0.29 -0.04 0.00 0.00 0.00 0.00 23.12 23.30 1fun s ALA 4 CO 0.01 -0.35 0.09 0.54 0.00 0.00 0.00 175.76 176.04 1fun s VAL 5 N -3.06 0.06 -0.19 0.00 0.11 -0.01 -0.48 120.40 116.83 1fun s VAL 5 Ca -0.01 -1.95 -0.07 0.00 -2.93 0.00 0.00 61.98 57.02 1fun s VAL 5 Cb 0.01 -2.24 0.08 0.00 -1.53 0.00 0.00 36.38 32.70 1fun s VAL 5 CO -0.07 -0.26 0.40 0.00 -3.33 0.00 0.00 175.10 171.84 1fun s ALA 6 N -4.10 -1.07 -0.51 1.54 0.00 -0.38 -1.10 121.76 116.14 1fun s ALA 6 Ca 0.31 1.45 -0.19 0.00 0.00 0.00 0.00 51.96 53.53 1fun s ALA 6 Cb 0.07 -1.21 0.06 0.00 0.00 0.00 0.00 23.12 22.04 1fun s ALA 6 CO 0.06 -0.63 0.64 0.08 0.00 0.00 0.00 175.76 175.91 1fun s VAL 7 N 2.32 4.85 -0.10 0.00 1.01 -1.26 -1.80 120.40 125.42 1fun s VAL 7 Ca -0.03 -0.44 -0.30 0.00 0.00 0.00 0.00 61.98 61.21 1fun s VAL 7 Cb -0.11 -4.31 -0.01 0.00 0.00 0.00 0.00 36.38 31.94 1fun s VAL 7 CO -0.12 -0.82 1.06 -0.76 0.00 0.00 0.00 175.10 174.46 1fun s LEU 8 N 2.70 4.24 0.03 3.92 1.43 0.15 -4.27 118.68 126.88 1fun s LEU 8 Ca 0.16 1.59 -0.11 0.00 -1.03 0.00 0.00 54.13 54.73 1fun s LEU 8 Cb -0.19 -3.56 0.01 0.00 0.03 0.00 0.00 46.19 42.49 1fun s LEU 8 CO 0.12 -0.50 0.24 -0.54 0.23 0.00 0.00 176.35 175.90 1fun s LYS 9 N 2.17 0.70 0.00 1.70 1.02 -1.14 -1.22 119.74 122.96 1fun s LYS 9 Ca 0.50 -0.50 0.00 0.00 0.02 0.00 0.00 55.97 55.99 1fun s LYS 9 Cb -0.19 0.30 0.00 0.00 -0.52 0.00 0.00 37.83 37.41 1fun s LYS 9 CO 0.18 -0.21 0.00 0.41 -0.92 0.00 0.00 175.35 174.81 1fun n GLY 10 N 0.83 3.95 0.00 -3.33 0.00 -1.23 -2.40 105.19 103.01 1fun n GLY 10 Ca -0.20 -1.19 0.14 0.00 0.00 0.00 0.00 46.02 44.77 1fun n GLY 10 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1fun n ASP 11 N -0.54 0.12 0.00 1.61 8.00 -1.26 -4.88 116.55 119.61 1fun n ASP 11 Ca 0.00 0.31 0.00 0.00 0.71 0.00 0.00 54.79 55.81 1fun n ASP 11 Cb 0.00 -0.32 0.00 0.00 -0.02 0.00 0.00 41.12 40.78 1fun n ASP 11 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1fun n GLY 12 N 1.50 4.18 0.02 0.44 0.00 -1.26 -5.05 105.19 105.02 1fun n GLY 12 Ca 0.07 -1.81 0.13 0.00 0.00 0.00 0.00 46.02 44.40 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 0.07 -1.89 1.61 -0.04 -1.26 -4.92 135.00 128.57 1fun n PRO 13 Ca 0.00 0.04 -0.42 0.00 -0.04 0.00 0.00 63.50 63.07 1fun n PRO 13 Cb 0.00 -1.56 -0.03 0.00 -0.04 0.00 0.00 33.50 31.87 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 -3.04 3.04 0.03 0.52 1.01 -1.26 -4.47 120.40 116.23 1fun s VAL 14 Ca 0.11 0.42 -0.03 0.00 0.00 0.00 0.00 61.98 62.48 1fun s VAL 14 Cb 0.17 -3.27 -0.02 0.00 0.00 0.00 0.00 36.38 33.26 1fun s VAL 14 CO 0.63 -0.01 0.04 -1.10 0.00 0.00 0.00 175.10 174.67 1fun s GLN 15 N 2.97 0.48 -0.20 2.72 -0.21 -0.37 -3.47 119.66 121.59 1fun s GLN 15 Ca 0.76 -0.72 -0.33 0.00 0.02 0.00 0.00 55.36 55.09 1fun s GLN 15 Cb -0.40 0.18 0.15 0.00 1.00 0.00 0.00 33.01 33.94 1fun s GLN 15 CO 0.33 -0.10 1.20 0.20 -2.12 0.00 0.00 175.29 174.80 1fun s GLY 16 N -1.90 -0.21 -0.31 3.09 0.00 -0.36 0.05 107.32 107.68 1fun s GLY 16 Ca -0.09 1.91 -0.01 0.00 0.00 0.00 0.00 44.72 46.54 1fun s GLY 16 CO -0.03 0.72 0.09 -0.42 0.00 0.00 0.00 173.10 173.46 1fun s ILE 17 N -1.95 0.90 -0.01 0.90 1.01 -0.83 0.29 121.20 121.51 1fun s ILE 17 Ca 0.08 -1.40 -0.15 0.00 0.00 0.00 0.00 60.65 59.18 1fun s ILE 17 Cb -0.01 -1.67 -0.06 0.00 0.01 0.00 0.00 42.46 40.73 1fun s ILE 17 CO -0.05 -0.66 0.42 -0.63 0.00 0.00 0.00 174.94 174.02 1fun s ILE 18 N 1.61 5.03 -0.07 2.92 -1.09 -0.74 -3.05 121.20 125.80 1fun s ILE 18 Ca 0.09 0.85 0.04 0.00 -2.23 0.00 0.00 60.65 59.41 1fun s ILE 18 Cb -0.17 -3.72 -0.01 0.00 -1.58 0.00 0.00 42.46 36.97 1fun s ILE 18 CO -0.24 0.56 -0.21 0.20 -1.23 0.00 0.00 174.94 174.02 1fun s ASN 19 N -0.96 3.41 -0.04 3.58 0.01 0.36 -1.25 114.94 120.05 1fun s ASN 19 Ca 0.24 -0.43 0.06 0.00 -0.71 0.00 0.00 52.86 52.02 1fun s ASN 19 Cb -0.17 -1.01 -0.02 0.00 0.41 0.00 0.00 41.25 40.46 1fun s ASN 19 CO 0.13 0.24 -0.21 -0.36 -1.51 0.00 0.00 177.10 175.39 1fun s PHE 20 N -0.15 2.50 -0.01 2.20 0.40 0.36 -0.30 117.98 122.98 1fun s PHE 20 Ca -0.03 -0.43 0.00 0.00 -0.60 0.00 0.00 56.93 55.87 1fun s PHE 20 Cb -0.14 -1.59 0.02 0.00 0.51 0.00 0.00 43.02 41.82 1fun s PHE 20 CO 0.04 -0.02 0.01 -2.00 0.70 0.00 0.00 175.22 173.94 1fun s GLU 21 N -0.48 0.09 -0.24 0.44 2.12 -0.07 -1.90 118.70 118.66 1fun s GLU 21 Ca 0.06 0.07 -0.03 0.00 0.36 0.00 0.00 54.97 55.43 1fun s GLU 21 Cb -0.11 -0.23 0.11 0.00 0.26 0.00 0.00 34.13 34.16 1fun s GLU 21 CO 0.01 -0.08 0.28 -1.14 -0.54 0.00 0.00 175.26 173.79 1fun s GLN 22 N 0.60 0.26 0.00 4.30 0.74 0.16 -0.54 119.66 125.18 1fun s GLN 22 Ca -0.05 0.17 0.00 0.00 0.05 0.00 0.00 55.36 55.52 1fun s GLN 22 Cb -0.08 -0.89 0.00 0.00 1.10 0.00 0.00 33.01 33.14 1fun s GLN 22 CO -0.01 -0.77 0.00 1.63 -0.55 0.00 0.00 175.29 175.59 1fun n LYS 23 N 5.33 0.00 -1.67 1.67 4.01 -1.26 -4.09 118.16 122.14 1fun n LYS 23 Ca -0.04 0.29 -0.49 0.00 -0.51 0.00 0.00 58.31 57.57 1fun n LYS 23 Cb 0.49 -0.78 -0.05 0.00 -0.51 0.00 0.00 35.03 34.18 1fun n LYS 23 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 1fun n GLU 24 N -1.57 2.07 0.00 1.97 1.02 -1.26 -4.73 120.64 118.14 1fun n GLU 24 Ca 0.00 0.75 0.00 0.00 -0.02 0.00 0.00 57.16 57.89 1fun n GLU 24 Cb 0.00 -2.63 0.00 0.00 -0.02 0.00 0.00 31.44 28.79 1fun n GLU 24 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1fun n SER 25 N 6.90 0.00 0.00 1.62 7.64 -1.26 -0.13 113.62 128.39 1fun n SER 25 Ca 0.24 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.12 1fun n SER 25 Cb 0.29 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.49 1fun n SER 25 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1fun n ASN 26 N -0.67 0.00 -3.50 6.43 6.94 -1.26 -4.91 115.26 118.30 1fun n ASN 26 Ca 0.00 -1.00 -0.22 0.00 -0.02 0.00 0.00 54.58 53.34 1fun n ASN 26 Cb 0.00 0.00 0.15 0.00 -2.36 0.00 0.00 39.78 37.57 1fun n ASN 26 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1fun n GLY 27 N 0.00 -1.30 3.75 4.83 0.00 0.82 -5.03 105.19 108.27 1fun n GLY 27 Ca 0.00 -1.72 -0.37 0.00 0.00 0.00 0.00 46.02 43.93 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 -5.20 3.18 -0.24 1.61 0.04 -1.26 -4.91 135.00 128.22 1fun s PRO 28 Ca 0.58 2.00 -0.11 0.00 0.04 0.00 0.00 61.00 63.50 1fun s PRO 28 Cb -0.02 -2.16 -0.05 0.00 0.04 0.00 0.00 34.50 32.32 1fun s PRO 28 CO 0.40 -1.08 0.19 0.08 0.04 0.00 0.00 177.00 176.63 1fun s VAL 29 N -1.45 5.33 -0.25 -0.36 1.01 0.10 -4.63 120.40 120.16 1fun s VAL 29 Ca 0.72 0.23 -0.15 0.00 0.00 0.00 0.00 61.98 62.78 1fun s VAL 29 Cb -0.35 -3.53 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 1fun s VAL 29 CO 0.40 0.32 0.39 -0.54 0.00 0.00 0.00 175.10 175.66 1fun s LYS 30 N 1.23 4.07 -0.19 2.72 1.02 0.30 -1.32 119.74 127.56 1fun s LYS 30 Ca 0.09 0.11 -0.05 0.00 0.02 0.00 0.00 55.97 56.13 1fun s LYS 30 Cb -0.14 -3.62 -0.03 0.00 -0.52 0.00 0.00 37.83 33.52 1fun s LYS 30 CO 0.06 -0.21 0.00 0.08 -0.92 0.00 0.00 175.35 174.36 1fun s VAL 31 N 1.87 4.03 0.06 3.17 1.01 0.98 -0.89 120.40 130.62 1fun s VAL 31 Ca 0.17 -0.29 -0.21 0.00 0.00 0.00 0.00 61.98 61.64 1fun s VAL 31 Cb -0.15 -2.81 0.05 0.00 0.00 0.00 0.00 36.38 33.46 1fun s VAL 31 CO 0.09 0.44 0.50 -1.66 0.00 0.00 0.00 175.10 174.47 1fun s TRP 32 N 0.84 -0.40 -4.45 5.22 -2.14 0.59 -1.00 118.94 117.60 1fun s TRP 32 Ca 0.01 0.39 0.00 0.00 2.66 0.00 0.00 56.10 59.16 1fun s TRP 32 Cb -0.14 0.33 0.00 0.00 -3.10 0.00 0.00 33.47 30.56 1fun s TRP 32 CO 0.02 -0.65 0.00 0.41 -2.66 0.00 0.00 176.95 174.07 1fun n GLY 33 N 0.32 -0.48 3.10 3.67 0.00 -1.02 0.14 105.19 110.93 1fun n GLY 33 Ca -0.18 -0.75 -0.12 0.00 0.00 0.00 0.00 46.02 44.97 1fun n GLY 33 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1fun s SER 34 N -4.00 -0.17 -0.03 1.61 0.15 -1.17 -2.24 113.70 107.85 1fun s SER 34 Ca 0.00 0.27 0.05 0.00 0.70 0.00 0.00 55.95 56.97 1fun s SER 34 Cb 0.00 0.37 -0.01 0.00 -1.71 0.00 0.00 66.02 64.68 1fun s SER 34 CO 0.00 -0.16 -0.19 -0.63 1.20 0.00 0.00 173.24 173.46 1fun s ILE 35 N -0.29 1.55 0.12 6.45 1.01 -0.26 -1.97 121.20 127.81 1fun s ILE 35 Ca -0.04 -0.81 0.03 0.00 0.00 0.00 0.00 60.65 59.84 1fun s ILE 35 Cb -0.03 -1.31 -0.04 0.00 0.01 0.00 0.00 42.46 41.09 1fun s ILE 35 CO 0.01 0.44 -0.09 -1.59 0.00 0.00 0.00 174.94 173.71 1fun s LYS 36 N -0.19 0.93 0.00 2.79 -2.85 0.11 -0.77 119.74 119.76 1fun s LYS 36 Ca 0.01 -1.34 0.00 0.00 -1.00 0.00 0.00 55.97 53.64 1fun s LYS 36 Cb -0.10 -0.45 0.00 0.00 -2.06 0.00 0.00 37.83 35.22 1fun s LYS 36 CO 0.01 0.04 0.00 0.41 0.10 0.00 0.00 175.35 175.91 1fun n GLY 37 N 0.03 0.89 3.85 0.59 0.00 -1.13 -1.24 105.19 108.18 1fun n GLY 37 Ca -0.12 -0.46 -0.26 0.00 0.00 0.00 0.00 46.02 45.18 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 3.99 0.12 0.99 1.43 -0.62 -4.15 118.68 120.44 1fun s LEU 38 Ca 0.00 -0.04 -0.28 0.00 -1.03 0.00 0.00 54.13 52.78 1fun s LEU 38 Cb 0.00 -2.57 -0.06 0.00 0.03 0.00 0.00 46.19 43.58 1fun s LEU 38 CO 0.00 0.05 0.89 0.42 0.23 0.00 0.00 176.35 177.94 1fun s THR 39 N -1.79 4.49 -0.07 5.49 -4.23 -1.26 -4.27 115.64 113.99 1fun s THR 39 Ca 0.32 1.93 -0.38 0.00 -1.18 0.00 0.00 61.69 62.39 1fun s THR 39 Cb -0.10 -4.25 -0.16 0.00 1.34 0.00 0.00 72.50 69.33 1fun s THR 39 CO 0.25 0.37 1.58 1.21 -0.54 0.00 0.00 174.62 177.49 1fun n GLU 40 N 2.51 1.33 0.00 3.99 2.13 -1.26 -4.69 120.64 124.65 1fun n GLU 40 Ca -0.00 0.48 0.00 0.00 0.66 0.00 0.00 57.16 58.30 1fun n GLU 40 Cb 0.49 -2.17 0.00 0.00 0.27 0.00 0.00 31.44 30.03 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 3.46 0.88 3.85 8.31 0.00 -0.42 -4.96 105.19 116.32 1fun n GLY 41 Ca 0.22 -1.97 -0.34 0.00 0.00 0.00 0.00 46.02 43.93 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 4.22 -0.04 0.99 1.43 -1.26 -1.71 118.68 122.32 1fun s LEU 42 Ca 0.00 1.09 -0.01 0.00 -1.03 0.00 0.00 54.13 54.17 1fun s LEU 42 Cb 0.00 -3.61 0.03 0.00 0.03 0.00 0.00 46.19 42.64 1fun s LEU 42 CO 0.00 -0.03 0.06 -1.00 0.23 0.00 0.00 176.35 175.61 1fun s HIS 43 N -1.71 0.00 0.08 0.29 3.76 -0.53 -3.34 115.29 113.85 1fun s HIS 43 Ca 0.45 0.24 -0.32 0.00 -0.15 0.00 0.00 55.06 55.28 1fun s HIS 43 Cb -0.13 -0.29 -0.12 0.00 1.11 0.00 0.00 32.58 33.15 1fun s HIS 43 CO 0.20 -0.14 1.80 0.41 -0.85 0.00 0.00 174.74 176.15 1fun n GLY 44 N 4.60 1.52 3.07 -2.22 0.00 -0.26 -1.13 105.19 110.77 1fun n GLY 44 Ca -0.19 0.74 -0.34 0.00 0.00 0.00 0.00 46.02 46.23 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 2.71 3.65 0.26 1.61 5.36 -0.50 -0.23 117.98 130.84 1fun s PHE 45 Ca 0.84 -2.69 0.09 0.00 -0.96 0.00 0.00 56.93 54.21 1fun s PHE 45 Cb -0.57 -3.09 -0.05 0.00 -0.34 0.00 0.00 43.02 38.96 1fun s PHE 45 CO 0.41 -0.95 -0.14 -1.01 -1.46 0.00 0.00 175.22 172.06 1fun s HIS 46 N 0.96 2.06 -0.28 10.12 3.76 -0.49 -1.89 115.29 129.53 1fun s HIS 46 Ca 0.10 -0.50 -0.05 0.00 -0.15 0.00 0.00 55.06 54.46 1fun s HIS 46 Cb -0.21 -1.00 0.01 0.00 1.11 0.00 0.00 32.58 32.49 1fun s HIS 46 CO -0.06 0.51 0.04 0.08 -0.85 0.00 0.00 174.74 174.46 1fun s VAL 47 N -2.76 3.67 0.73 -0.90 1.01 -0.12 -0.87 120.40 121.15 1fun s VAL 47 Ca 0.28 -0.77 -0.06 0.00 0.00 0.00 0.00 61.98 61.42 1fun s VAL 47 Cb -0.01 -2.88 0.09 0.00 0.00 0.00 0.00 36.38 33.57 1fun s VAL 47 CO 0.12 0.12 1.03 -1.00 0.00 0.00 0.00 175.10 175.37 1fun s HIS 48 N 1.45 2.49 -0.02 5.22 3.76 0.82 -1.46 115.29 127.55 1fun s HIS 48 Ca 0.02 0.25 -0.16 0.00 -0.15 0.00 0.00 55.06 55.02 1fun s HIS 48 Cb -0.17 -3.24 -0.09 0.00 1.11 0.00 0.00 32.58 30.19 1fun s HIS 48 CO 0.01 -1.58 0.74 1.49 -0.85 0.00 0.00 174.74 174.54 1fun h GLU 49 N -0.66 -0.54 -5.99 1.40 4.81 -0.81 -3.28 114.58 109.51 1fun h GLU 49 Ca -0.43 0.04 -0.60 0.00 -0.13 0.00 0.00 59.36 58.24 1fun h GLU 49 Cb 1.29 0.12 -0.06 0.00 0.63 0.00 0.00 28.75 30.74 1fun h GLU 49 CO 0.53 -0.36 -0.16 -0.06 -0.73 0.00 0.00 179.01 178.23 1fun s PHE 50 N -3.46 3.70 -0.49 0.92 0.08 0.84 -4.57 117.98 115.00 1fun s PHE 50 Ca -0.08 1.02 -0.04 0.00 0.12 0.00 0.00 56.93 57.94 1fun s PHE 50 Cb 0.01 -2.38 0.02 0.00 -0.57 0.00 0.00 43.02 40.11 1fun s PHE 50 CO 0.25 0.54 2.85 0.41 -0.10 0.00 0.00 175.22 179.16 1fun n GLY 51 N 2.11 4.26 3.30 4.36 0.00 -1.05 -3.76 105.19 114.41 1fun n GLY 51 Ca -0.12 -1.82 -0.39 0.00 0.00 0.00 0.00 46.02 43.69 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 0.58 5.50 -0.17 1.61 -1.08 -1.26 -4.93 116.67 116.91 1fun s ASP 52 Ca 0.60 -1.17 0.16 0.00 -0.52 0.00 0.00 52.55 51.61 1fun s ASP 52 Cb 0.36 -1.93 0.37 0.00 -1.46 0.00 0.00 42.92 40.25 1fun s ASP 52 CO -0.18 -0.38 1.22 0.59 0.52 0.00 0.00 175.17 176.94 1fun n ASN 53 N 4.88 2.40 -0.20 -0.34 5.03 -1.26 -2.85 115.26 122.92 1fun n ASN 53 Ca -0.12 -3.32 -0.07 0.00 0.87 0.00 0.00 54.58 51.94 1fun n ASN 53 Cb 0.45 -0.48 0.02 0.00 -1.02 0.00 0.00 39.78 38.75 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 0.53 1.21 -1.03 3.41 1.35 -1.93 -1.72 112.91 114.73 1fun h THR 54 Ca 0.02 -0.63 -0.67 0.00 -0.55 0.00 0.00 66.41 64.58 1fun h THR 54 Cb 1.10 0.57 -0.31 0.00 -1.73 0.00 0.00 68.15 67.79 1fun h THR 54 CO 0.06 0.25 0.65 0.00 -0.25 0.00 0.00 175.52 176.23 1fun n ALA 55 N -2.34 6.17 -0.33 6.62 0.00 -1.26 -5.03 120.51 124.33 1fun n ALA 55 Ca 0.03 -3.57 0.00 0.00 0.00 0.00 0.00 53.44 49.91 1fun n ALA 55 Cb 0.14 -1.59 0.00 0.00 0.00 0.00 0.00 19.45 18.00 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 -0.87 0.50 0.20 0.00 0.00 -0.65 -3.42 105.19 100.95 1fun n GLY 56 Ca 0.60 -0.87 0.12 0.00 0.00 0.00 0.00 46.02 45.86 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 0.90 0.00 0.00 2.02 -1.89 0.15 112.91 114.10 1fun h THR 58 Ca 0.00 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 66.91 1fun h THR 58 Cb 0.99 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.45 1fun h THR 58 CO 0.00 0.14 0.00 -1.54 0.37 0.00 0.00 175.52 174.49 1fun n SER 59 N -4.75 0.00 0.28 4.18 3.41 -1.24 -2.29 113.62 113.21 1fun n SER 59 Ca 0.14 -0.21 0.16 0.00 -0.26 0.00 0.00 58.87 58.70 1fun n SER 59 Cb 0.28 -0.15 0.73 0.00 -0.26 0.00 0.00 64.21 64.81 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 2.89 1.04 -0.05 7.33 0.00 -0.80 -3.38 119.26 126.27 1fun h ALA 60 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1fun h ALA 60 Cb 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1fun h ALA 60 CO 0.00 0.06 0.00 0.41 0.00 0.00 0.00 179.25 179.72 1fun n GLY 61 N -0.19 -1.70 3.53 0.00 0.00 -0.97 -0.11 105.19 105.75 1fun n GLY 61 Ca -0.00 -1.35 -0.30 0.00 0.00 0.00 0.00 46.02 44.38 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 -1.27 0.59 1.61 0.04 -1.26 -4.50 135.00 130.21 1fun s PRO 62 Ca 0.00 0.19 -0.18 0.00 0.04 0.00 0.00 61.00 61.05 1fun s PRO 62 Cb 0.00 -1.57 -0.04 0.00 0.04 0.00 0.00 34.50 32.94 1fun s PRO 62 CO 0.00 -3.79 1.14 -1.01 0.04 0.00 0.00 177.00 173.38 1fun s HIS 63 N -2.78 2.58 -0.15 0.56 3.76 -1.26 -0.63 115.29 117.37 1fun s HIS 63 Ca 0.69 1.54 -0.29 0.00 -0.15 0.00 0.00 55.06 56.85 1fun s HIS 63 Cb -0.14 -3.30 -0.04 0.00 1.11 0.00 0.00 32.58 30.21 1fun s HIS 63 CO 0.58 -1.75 1.71 0.12 -0.85 0.00 0.00 174.74 174.55 1fun s PHE 64 N -1.89 1.91 -0.45 1.40 5.36 -0.53 -4.46 117.98 119.31 1fun s PHE 64 Ca 0.72 0.36 0.05 0.00 -0.96 0.00 0.00 56.93 57.10 1fun s PHE 64 Cb -0.24 -3.98 0.18 0.00 -0.34 0.00 0.00 43.02 38.64 1fun s PHE 64 CO 0.32 -3.53 0.53 1.21 -1.46 0.00 0.00 175.22 172.29 1fun s ASN 65 N 4.37 -0.05 0.04 6.13 2.47 -1.26 -1.80 114.94 124.83 1fun s ASN 65 Ca 0.76 -2.17 0.21 0.00 0.42 0.00 0.00 52.86 52.08 1fun s ASN 65 Cb -0.30 0.86 0.89 0.00 -1.45 0.00 0.00 41.25 41.25 1fun s ASN 65 CO 0.31 -0.13 1.68 -0.81 -3.72 0.00 0.00 177.10 174.43 1fun n PRO 66 N 3.14 0.04 -0.41 0.43 -0.04 -1.26 -3.02 135.00 133.87 1fun n PRO 66 Ca 0.21 0.17 0.09 0.00 -0.04 0.00 0.00 63.50 63.94 1fun n PRO 66 Cb 0.52 -1.55 0.29 0.00 -0.04 0.00 0.00 33.50 32.72 1fun n PRO 66 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1fun n LEU 67 N -1.62 4.00 -0.77 1.53 4.77 -1.26 -4.95 117.00 118.70 1fun n LEU 67 Ca 0.05 -2.20 -0.03 0.00 -0.03 0.00 0.00 56.01 53.80 1fun n LEU 67 Cb 0.25 -0.47 -0.01 0.00 -2.33 0.00 0.00 43.42 40.87 1fun n LEU 67 CO 0.20 0.86 -0.03 -1.20 -1.33 0.00 0.00 177.39 175.89 1fun n SER 68 N 1.11 -1.10 -4.84 -1.43 7.64 -1.17 -4.89 113.62 108.94 1fun n SER 68 Ca 0.22 0.07 -0.30 0.00 1.01 0.00 0.00 58.87 59.87 1fun n SER 68 Cb 0.68 -1.27 0.06 0.00 -1.01 0.00 0.00 64.21 62.67 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 -1.74 2.73 1.07 1.43 0.52 -1.26 -5.05 118.95 116.65 1fun s ARG 69 Ca 0.00 0.67 -0.18 0.00 -0.52 0.00 0.00 55.73 55.70 1fun s ARG 69 Cb 0.00 -1.99 0.24 0.00 0.52 0.00 0.00 34.95 33.72 1fun s ARG 69 CO 0.00 -1.17 1.23 0.15 0.02 0.00 0.00 175.30 175.52 1fun s LYS 70 N -5.20 -0.22 0.58 3.54 1.02 -1.26 -4.61 119.74 113.60 1fun s LYS 70 Ca 0.59 -0.26 -0.16 0.00 0.02 0.00 0.00 55.97 56.15 1fun s LYS 70 Cb -0.13 -1.73 -0.04 0.00 -0.52 0.00 0.00 37.83 35.41 1fun s LYS 70 CO 0.54 -3.01 1.06 -1.58 -0.92 0.00 0.00 175.35 171.43 1fun s HIS 71 N -3.50 2.99 0.03 3.18 5.65 0.41 -2.58 115.29 121.48 1fun s HIS 71 Ca 0.73 1.52 -0.23 0.00 0.25 0.00 0.00 55.06 57.32 1fun s HIS 71 Cb -0.06 -3.02 0.08 0.00 -1.18 0.00 0.00 32.58 28.40 1fun s HIS 71 CO 0.54 -1.09 1.07 0.41 -0.65 0.00 0.00 174.74 175.02 1fun n GLY 72 N -0.89 0.38 3.84 1.59 0.00 -1.26 -4.60 105.19 104.26 1fun n GLY 72 Ca 0.09 -1.05 -0.31 0.00 0.00 0.00 0.00 46.02 44.74 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 -3.59 1.81 0.50 -0.02 0.00 -1.20 -4.53 107.32 100.28 1fun s GLY 73 Ca 0.25 0.07 0.21 0.00 0.00 0.00 0.00 44.72 45.24 1fun s GLY 73 CO 0.01 0.35 1.58 -0.56 0.00 0.00 0.00 173.10 174.48 1fun h PRO 74 N -0.04 0.00 -0.02 2.90 0.13 -1.86 -0.46 132.00 132.65 1fun h PRO 74 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1fun h PRO 74 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1fun h PRO 74 CO 0.60 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 180.00 1fun n LYS 75 N -2.46 0.03 -1.50 0.86 4.76 -1.26 -4.96 118.16 113.63 1fun n LYS 75 Ca -0.01 -0.90 -0.31 0.00 -2.87 0.00 0.00 58.31 54.22 1fun n LYS 75 Cb 0.37 -1.11 0.07 0.00 -1.84 0.00 0.00 35.03 32.52 1fun n LYS 75 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1fun s ASP 76 N -0.50 4.91 0.00 4.39 1.11 -0.18 -5.00 116.67 121.40 1fun s ASP 76 Ca 0.07 1.55 0.00 0.00 0.18 0.00 0.00 52.55 54.35 1fun s ASP 76 Cb 0.05 -2.36 0.00 0.00 1.07 0.00 0.00 42.92 41.68 1fun s ASP 76 CO 0.07 -1.74 0.48 -0.62 1.18 0.00 0.00 175.17 174.54 1fun n GLU 77 N -3.31 0.00 -2.48 8.23 4.71 -1.26 -4.53 120.64 122.00 1fun n GLU 77 Ca 0.08 0.09 -0.42 0.00 -0.01 0.00 0.00 57.16 56.89 1fun n GLU 77 Cb 0.54 -1.00 -0.03 0.00 -1.01 0.00 0.00 31.44 29.94 1fun n GLU 77 CO 0.00 0.00 0.00 -2.00 0.09 0.00 0.00 177.13 175.22 1fun s GLU 78 N -1.14 4.48 -0.28 3.49 2.56 -1.26 -4.96 118.70 121.59 1fun s GLU 78 Ca 0.00 1.72 -0.27 0.00 0.00 0.00 0.00 54.97 56.42 1fun s GLU 78 Cb 0.00 -3.34 0.18 0.00 2.00 0.00 0.00 34.13 32.97 1fun s GLU 78 CO 0.00 -0.16 1.35 -0.98 -0.56 0.00 0.00 175.26 174.91 1fun s ARG 79 N 0.72 0.13 0.71 4.30 1.70 -1.13 -4.36 118.95 121.02 1fun s ARG 79 Ca 0.56 0.09 -0.14 0.00 -0.47 0.00 0.00 55.73 55.77 1fun s ARG 79 Cb -0.28 0.06 0.03 0.00 -0.57 0.00 0.00 34.95 34.19 1fun s ARG 79 CO 0.30 -0.03 1.14 -1.01 -1.08 0.00 0.00 175.30 174.63 1fun s HIS 80 N -0.44 2.36 0.14 5.89 3.76 -1.07 -4.84 115.29 121.11 1fun s HIS 80 Ca 0.07 1.58 -0.18 0.00 -0.15 0.00 0.00 55.06 56.38 1fun s HIS 80 Cb -0.03 -3.27 0.02 0.00 1.11 0.00 0.00 32.58 30.41 1fun s HIS 80 CO -0.11 -2.07 1.72 0.28 -0.85 0.00 0.00 174.74 173.71 1fun h VAL 81 N -0.29 0.82 -0.61 -0.90 2.07 -1.78 -2.94 116.25 112.62 1fun h VAL 81 Ca -0.47 -0.04 -0.43 0.00 0.82 0.00 0.00 66.70 66.59 1fun h VAL 81 Cb 1.26 0.70 -0.12 0.00 -1.52 0.00 0.00 31.29 31.62 1fun h VAL 81 CO 0.52 0.02 0.58 0.61 0.02 0.00 0.00 177.57 179.32 1fun n GLY 82 N -1.21 3.94 3.00 2.17 0.00 -0.75 -4.48 105.19 107.86 1fun n GLY 82 Ca -0.00 -1.63 -0.31 0.00 0.00 0.00 0.00 46.02 44.07 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 1.09 4.62 -0.15 1.61 1.01 -1.11 -0.95 116.67 122.79 1fun s ASP 83 Ca 0.62 -2.67 0.09 0.00 0.71 0.00 0.00 52.55 51.29 1fun s ASP 83 Cb 0.32 -1.67 0.51 0.00 1.01 0.00 0.00 42.92 43.10 1fun s ASP 83 CO -0.12 -0.31 1.29 0.18 0.21 0.00 0.00 175.17 176.42 1fun n LEU 84 N 3.59 4.01 0.00 1.23 4.77 -0.79 -3.14 117.00 126.67 1fun n LEU 84 Ca 0.05 -2.03 0.00 0.00 -0.03 0.00 0.00 56.01 53.99 1fun n LEU 84 Cb 0.36 -0.62 0.00 0.00 -2.33 0.00 0.00 43.42 40.83 1fun n LEU 84 CO 0.30 0.49 0.00 0.61 -1.33 0.00 0.00 177.39 177.47 1fun n GLY 85 N 0.38 1.84 3.28 -0.72 0.00 -1.24 -4.72 105.19 104.01 1fun n GLY 85 Ca 0.18 -0.48 -0.21 0.00 0.00 0.00 0.00 46.02 45.52 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 2.35 0.27 1.61 0.01 -1.26 -1.41 114.94 112.51 1fun s ASN 86 Ca 0.00 -0.80 0.09 0.00 -0.71 0.00 0.00 52.86 51.44 1fun s ASN 86 Cb 0.00 -0.12 -0.04 0.00 0.41 0.00 0.00 41.25 41.50 1fun s ASN 86 CO 0.00 -0.06 0.03 0.68 -1.51 0.00 0.00 177.10 176.24 1fun s VAL 87 N -1.89 3.52 -0.18 1.60 -7.23 -0.29 -4.87 120.40 111.06 1fun s VAL 87 Ca 0.11 -1.84 0.01 0.00 -1.81 0.00 0.00 61.98 58.44 1fun s VAL 87 Cb -0.06 -2.92 0.03 0.00 0.56 0.00 0.00 36.38 33.99 1fun s VAL 87 CO 0.05 -0.36 -0.15 -0.89 -0.31 0.00 0.00 175.10 173.44 1fun s THR 88 N -2.31 1.83 -0.20 5.32 2.01 -1.26 -1.45 115.64 119.57 1fun s THR 88 Ca 0.32 -0.91 -0.12 0.00 0.31 0.00 0.00 61.69 61.30 1fun s THR 88 Cb -0.06 -1.74 -0.05 0.00 0.01 0.00 0.00 72.50 70.66 1fun s THR 88 CO 0.21 0.40 0.21 0.00 -0.69 0.00 0.00 174.62 174.74 1fun s ALA 89 N 1.36 3.63 1.09 7.40 0.00 -0.69 -3.87 121.76 130.68 1fun s ALA 89 Ca 0.03 -0.68 -0.11 0.00 0.00 0.00 0.00 51.96 51.19 1fun s ALA 89 Cb -0.14 -2.32 0.16 0.00 0.00 0.00 0.00 23.12 20.81 1fun s ALA 89 CO -0.11 -0.03 0.66 -0.40 0.00 0.00 0.00 175.76 175.89 1fun n ASP 90 N 3.90 -1.03 -0.14 0.00 5.68 0.14 -1.30 116.55 123.80 1fun n ASP 90 Ca -0.14 -1.01 0.10 0.00 -0.50 0.00 0.00 54.79 53.24 1fun n ASP 90 Cb 0.52 -0.57 0.44 0.00 -1.14 0.00 0.00 41.12 40.37 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 0.55 0.00 0.11 2.10 -1.97 0.31 116.57 117.67 1fun h LYS 91 Ca -0.23 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.38 1fun h LYS 91 Cb 0.69 -0.12 0.00 0.00 -0.90 0.00 0.00 32.23 31.90 1fun h LYS 91 CO 0.16 0.36 0.00 -0.25 -2.00 0.00 0.00 179.45 177.72 1fun n ASP 92 N -4.48 0.00 0.00 7.07 8.00 -1.26 -4.81 116.55 121.06 1fun n ASP 92 Ca 0.11 -0.52 0.00 0.00 0.71 0.00 0.00 54.79 55.09 1fun n ASP 92 Cb 0.34 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.40 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 0.21 0.76 3.87 0.44 0.00 0.11 -4.83 105.19 105.74 1fun n GLY 93 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.85 5.30 -0.15 1.61 1.01 -1.25 -1.59 120.40 122.48 1fun s VAL 94 Ca 0.00 0.40 0.00 0.00 0.00 0.00 0.00 61.98 62.38 1fun s VAL 94 Cb 0.00 -3.54 0.02 0.00 0.00 0.00 0.00 36.38 32.86 1fun s VAL 94 CO 0.00 0.54 -0.13 0.00 0.00 0.00 0.00 175.10 175.51 1fun s ALA 95 N -1.12 1.80 -0.17 5.51 0.00 0.05 0.27 121.76 128.10 1fun s ALA 95 Ca 0.21 -0.88 -0.10 0.00 0.00 0.00 0.00 51.96 51.19 1fun s ALA 95 Cb -0.14 -1.05 -0.05 0.00 0.00 0.00 0.00 23.12 21.88 1fun s ALA 95 CO 0.10 -0.41 0.18 -0.51 0.00 0.00 0.00 175.76 175.12 1fun s ASP 96 N 1.51 6.32 -0.19 0.00 1.11 -1.25 -1.10 116.67 123.07 1fun s ASP 96 Ca 0.05 0.37 -0.07 0.00 0.18 0.00 0.00 52.55 53.08 1fun s ASP 96 Cb -0.13 -2.11 -0.04 0.00 1.07 0.00 0.00 42.92 41.71 1fun s ASP 96 CO -0.10 0.22 0.06 -0.69 1.18 0.00 0.00 175.17 175.83 1fun s VAL 97 N 0.03 4.63 -0.11 -1.27 1.01 -0.95 -4.71 120.40 119.04 1fun s VAL 97 Ca 0.12 -0.09 -0.03 0.00 0.00 0.00 0.00 61.98 61.98 1fun s VAL 97 Cb -0.12 -3.10 0.04 0.00 0.00 0.00 0.00 36.38 33.21 1fun s VAL 97 CO 0.01 0.44 0.06 -0.44 0.00 0.00 0.00 175.10 175.17 1fun s SER 98 N 0.60 1.82 -0.02 3.32 0.01 -1.25 -2.44 113.70 115.74 1fun s SER 98 Ca 0.03 -0.28 -0.16 0.00 1.31 0.00 0.00 55.95 56.84 1fun s SER 98 Cb -0.13 -0.28 0.03 0.00 0.21 0.00 0.00 66.02 65.85 1fun s SER 98 CO 0.01 -0.28 0.35 -0.63 0.41 0.00 0.00 173.24 173.10 1fun s ILE 99 N 2.09 0.05 -0.21 1.44 1.01 -0.17 -4.99 121.20 120.42 1fun s ILE 99 Ca 0.03 -0.40 -0.03 0.00 0.00 0.00 0.00 60.65 60.25 1fun s ILE 99 Cb -0.14 -0.64 0.07 0.00 0.01 0.00 0.00 42.46 41.76 1fun s ILE 99 CO -0.06 -0.22 0.07 -1.61 0.00 0.00 0.00 174.94 173.11 1fun s GLU 100 N -1.22 0.46 0.30 2.79 2.02 -1.26 -0.01 118.70 121.78 1fun s GLU 100 Ca -0.13 -0.41 0.10 0.00 0.02 0.00 0.00 54.97 54.56 1fun s GLU 100 Cb -0.05 -1.93 -0.05 0.00 0.10 0.00 0.00 34.13 32.20 1fun s GLU 100 CO 0.05 -0.72 -0.10 0.34 0.02 0.00 0.00 175.26 174.85 1fun s ASP 101 N 1.93 3.94 0.00 -0.19 2.15 -0.44 -4.93 116.67 119.13 1fun s ASP 101 Ca 0.02 -0.97 0.00 0.00 0.43 0.00 0.00 52.55 52.03 1fun s ASP 101 Cb -0.17 -0.47 0.00 0.00 -0.30 0.00 0.00 42.92 41.98 1fun s ASP 101 CO -0.13 -0.07 0.20 -1.20 -0.17 0.00 0.00 175.17 173.80 1fun n SER 102 N -0.78 0.38 0.05 -0.34 7.64 -1.26 0.02 113.62 119.33 1fun n SER 102 Ca -0.05 -1.01 -0.17 0.00 1.01 0.00 0.00 58.87 58.64 1fun n SER 102 Cb 0.61 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.67 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 0.69 1.06 -3.35 0.44 2.07 -1.94 -3.47 116.25 111.75 1fun h VAL 103 Ca 0.00 -2.71 -0.49 0.00 0.82 0.00 0.00 66.70 64.31 1fun h VAL 103 Cb 0.34 2.71 0.02 0.00 -1.52 0.00 0.00 31.29 32.84 1fun h VAL 103 CO 0.00 0.81 0.00 0.27 0.02 0.00 0.00 177.57 178.67 1fun s ILE 104 N -2.61 4.96 0.25 4.57 -4.36 -1.26 -4.93 121.20 117.82 1fun s ILE 104 Ca -0.11 0.08 -0.11 0.00 -0.26 0.00 0.00 60.65 60.25 1fun s ILE 104 Cb 0.07 -3.82 -0.01 0.00 1.25 0.00 0.00 42.46 39.95 1fun s ILE 104 CO 0.84 -0.65 0.46 -0.55 0.24 0.00 0.00 174.94 175.28 1fun s SER 105 N -3.80 -0.02 -0.15 4.36 0.15 -1.11 -4.62 113.70 108.50 1fun s SER 105 Ca 0.46 -1.00 0.15 0.00 0.70 0.00 0.00 55.95 56.27 1fun s SER 105 Cb -0.10 0.58 0.53 0.00 -1.71 0.00 0.00 66.02 65.32 1fun s SER 105 CO 0.39 -1.14 1.43 0.18 1.20 0.00 0.00 173.24 175.30 1fun n LEU 106 N -0.39 3.93 -3.60 3.45 4.77 -1.26 -1.13 117.00 122.77 1fun n LEU 106 Ca -0.01 -2.80 -0.11 0.00 -0.03 0.00 0.00 56.01 53.06 1fun n LEU 106 Cb 0.62 -0.50 -0.04 0.00 -2.33 0.00 0.00 43.42 41.17 1fun n LEU 106 CO 0.24 0.69 0.21 -0.44 -1.33 0.00 0.00 177.39 176.75 1fun s SER 107 N -1.61 -0.29 0.00 -1.43 0.01 -1.26 -1.11 113.70 108.01 1fun s SER 107 Ca 0.40 -0.27 0.00 0.00 1.31 0.00 0.00 55.95 57.39 1fun s SER 107 Cb 0.31 0.50 0.00 0.00 0.21 0.00 0.00 66.02 67.04 1fun s SER 107 CO 0.12 -0.88 0.00 0.61 0.41 0.00 0.00 173.24 173.49 1fun n GLY 108 N -0.26 -1.84 0.02 3.44 0.00 -1.26 -3.34 105.19 101.95 1fun n GLY 108 Ca -0.16 -1.41 0.13 0.00 0.00 0.00 0.00 46.02 44.58 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 0.53 0.13 -1.05 1.61 9.92 -1.26 -2.82 116.55 123.61 1fun n ASP 109 Ca 0.00 0.52 0.09 0.00 -0.53 0.00 0.00 54.79 54.87 1fun n ASP 109 Cb 0.00 -0.55 0.24 0.00 -0.64 0.00 0.00 41.12 40.17 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 -1.63 0.71 -1.71 1.24 8.25 -1.26 -5.01 115.22 115.82 1fun n HIS 110 Ca 0.06 -0.45 -0.41 0.00 -0.26 0.00 0.00 57.72 56.66 1fun n HIS 110 Cb 0.33 -0.01 0.01 0.00 1.12 0.00 0.00 29.99 31.44 1fun n HIS 110 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1fun n SER 111 N 1.20 2.71 -0.07 0.41 2.88 -1.13 -2.76 113.62 116.86 1fun n SER 111 Ca 0.19 1.13 0.08 0.00 -1.33 0.00 0.00 58.87 58.93 1fun n SER 111 Cb 0.54 -1.51 -0.08 0.00 -0.75 0.00 0.00 64.21 62.41 1fun n SER 111 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 1fun n ILE 112 N -0.11 0.00 -1.68 2.46 -5.35 -0.29 -4.87 119.36 109.52 1fun n ILE 112 Ca 0.06 -0.15 -0.45 0.00 -0.27 0.00 0.00 62.75 61.93 1fun n ILE 112 Cb 0.39 1.04 -0.04 0.00 -1.74 0.00 0.00 39.64 39.29 1fun n ILE 112 CO 0.00 0.00 0.00 -0.38 -1.76 0.00 0.00 176.55 174.41 1fun n ILE 113 N -1.14 0.06 -0.53 7.28 2.08 -1.26 -0.95 119.36 124.90 1fun n ILE 113 Ca 0.04 -0.01 0.00 0.00 0.56 0.00 0.00 62.75 63.34 1fun n ILE 113 Cb 0.28 -1.66 0.00 0.00 -0.75 0.00 0.00 39.64 37.51 1fun n ILE 113 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1fun n GLY 114 N 3.61 0.75 2.19 7.39 0.00 -0.17 -5.00 105.19 113.95 1fun n GLY 114 Ca 0.17 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.34 1.13 -4.70 1.61 1.74 -0.13 -2.52 116.66 111.45 1fun n ARG 115 Ca 0.00 -2.08 -0.33 0.00 -0.77 0.00 0.00 57.85 54.67 1fun n ARG 115 Cb 0.00 0.37 -0.13 0.00 -1.02 0.00 0.00 32.46 31.68 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 -1.79 3.31 0.05 0.55 2.01 -1.23 -0.01 115.64 118.53 1fun s THR 116 Ca 0.10 -0.59 -0.19 0.00 0.31 0.00 0.00 61.69 61.33 1fun s THR 116 Cb -0.01 -2.38 -0.06 0.00 0.01 0.00 0.00 72.50 70.05 1fun s THR 116 CO 0.07 0.54 0.55 -0.22 -0.69 0.00 0.00 174.62 174.87 1fun s LEU 117 N 0.05 4.51 -0.04 4.42 2.96 0.37 -0.13 118.68 130.81 1fun s LEU 117 Ca -0.03 1.22 0.00 0.00 -0.22 0.00 0.00 54.13 55.10 1fun s LEU 117 Cb -0.14 -2.87 0.03 0.00 0.50 0.00 0.00 46.19 43.71 1fun s LEU 117 CO 0.04 0.26 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.62 1fun s VAL 118 N -0.98 0.31 -0.25 1.68 1.01 -0.05 -1.46 120.40 120.66 1fun s VAL 118 Ca 0.29 0.03 -0.06 0.00 0.00 0.00 0.00 61.98 62.24 1fun s VAL 118 Cb -0.19 -0.40 -0.01 0.00 0.00 0.00 0.00 36.38 35.78 1fun s VAL 118 CO 0.18 0.19 0.02 0.54 0.00 0.00 0.00 175.10 176.03 1fun s VAL 119 N 1.13 3.77 0.73 2.92 0.11 -0.77 -1.39 120.40 126.90 1fun s VAL 119 Ca -0.08 -0.49 -0.10 0.00 -2.93 0.00 0.00 61.98 58.37 1fun s VAL 119 Cb -0.14 -2.81 0.04 0.00 -1.53 0.00 0.00 36.38 31.95 1fun s VAL 119 CO -0.02 0.29 1.09 -1.00 -3.33 0.00 0.00 175.10 172.13 1fun s HIS 120 N 1.51 3.12 -0.01 1.54 3.76 0.68 -1.08 115.29 124.81 1fun s HIS 120 Ca 0.05 0.79 -0.14 0.00 -0.15 0.00 0.00 55.06 55.61 1fun s HIS 120 Cb -0.15 -3.20 -0.08 0.00 1.11 0.00 0.00 32.58 30.26 1fun s HIS 120 CO 0.00 -1.39 0.73 1.49 -0.85 0.00 0.00 174.74 174.72 1fun h GLU 121 N -0.73 -0.48 -7.43 1.40 4.81 0.13 -3.39 114.58 108.89 1fun h GLU 121 Ca -0.45 0.03 -0.46 0.00 -0.13 0.00 0.00 59.36 58.35 1fun h GLU 121 Cb 1.29 0.11 0.10 0.00 0.63 0.00 0.00 28.75 30.88 1fun h GLU 121 CO 0.64 -0.32 0.29 0.15 -0.73 0.00 0.00 179.01 179.04 1fun s LYS 122 N -3.31 1.90 -0.02 1.92 1.02 0.27 -4.76 119.74 116.76 1fun s LYS 122 Ca -0.07 -0.24 -0.26 0.00 0.02 0.00 0.00 55.97 55.41 1fun s LYS 122 Cb 0.01 -2.08 -0.04 0.00 -0.52 0.00 0.00 37.83 35.19 1fun s LYS 122 CO 0.22 -1.50 0.81 0.00 -0.92 0.00 0.00 175.35 173.96 1fun s ALA 123 N -3.41 3.28 0.14 5.17 0.00 -1.21 -1.10 121.76 124.64 1fun s ALA 123 Ca 0.63 0.31 -0.30 0.00 0.00 0.00 0.00 51.96 52.59 1fun s ALA 123 Cb -0.10 -3.10 -0.08 0.00 0.00 0.00 0.00 23.12 19.85 1fun s ALA 123 CO 0.47 -0.11 1.27 0.34 0.00 0.00 0.00 175.76 177.73 1fun s ASP 124 N 0.66 6.97 -0.51 0.00 2.15 -1.26 -4.32 116.67 120.37 1fun s ASP 124 Ca 0.43 2.25 -0.03 0.00 0.43 0.00 0.00 52.55 55.63 1fun s ASP 124 Cb -0.20 -2.60 0.15 0.00 -0.30 0.00 0.00 42.92 39.98 1fun s ASP 124 CO 0.23 -0.50 2.50 -0.90 -0.17 0.00 0.00 175.17 176.32 1fun n ASP 125 N 3.18 6.72 -3.92 -0.34 5.68 -0.83 -4.81 116.55 122.23 1fun n ASP 125 Ca 0.07 -3.32 -0.30 0.00 -0.50 0.00 0.00 54.79 50.75 1fun n ASP 125 Cb 0.44 -1.16 -0.07 0.00 -1.14 0.00 0.00 41.12 39.18 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 0.46 -0.70 0.00 -2.12 4.77 -1.26 -1.24 117.00 116.90 1fun n LEU 126 Ca 0.48 -1.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.46 1fun n LEU 126 Cb 0.51 -1.26 0.00 0.00 -2.33 0.00 0.00 43.42 40.34 1fun n LEU 126 CO 0.39 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 1fun n GLY 127 N -1.52 0.74 1.70 -0.72 0.00 -1.26 -3.25 105.19 100.88 1fun n GLY 127 Ca -0.06 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.91 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 0.00 1.39 0.20 1.61 4.01 -0.38 -3.18 118.16 121.82 1fun n LYS 128 Ca 0.00 -0.46 0.08 0.00 -0.51 0.00 0.00 58.31 57.43 1fun n LYS 128 Cb 0.00 -1.37 0.34 0.00 -0.51 0.00 0.00 35.03 33.49 1fun n LYS 128 CO 0.00 0.00 0.00 0.78 -1.11 0.00 0.00 177.40 177.07 1fun h GLY 129 N 3.62 0.00 0.00 0.72 0.00 -1.80 -3.48 103.07 102.13 1fun h GLY 129 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.42 1fun h GLY 129 CO 0.14 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.29 1fun n GLY 130 N 0.45 0.99 3.59 4.60 0.00 -1.26 -5.07 105.19 108.49 1fun n GLY 130 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.95 -0.31 0.30 1.61 2.20 -1.26 -5.00 114.94 110.52 1fun s ASN 131 Ca 0.00 0.32 0.05 0.00 -0.94 0.00 0.00 52.86 52.29 1fun s ASN 131 Cb 0.00 0.25 0.72 0.00 -2.00 0.00 0.00 41.25 40.23 1fun s ASN 131 CO 0.00 -0.29 1.75 -0.08 -2.94 0.00 0.00 177.10 175.54 1fun h GLU 132 N 2.45 0.61 -0.79 3.55 4.22 -1.98 0.88 114.58 123.53 1fun h GLU 132 Ca -0.16 -0.04 0.18 0.00 0.08 0.00 0.00 59.36 59.42 1fun h GLU 132 Cb 1.17 -0.14 -0.12 0.00 0.50 0.00 0.00 28.75 30.16 1fun h GLU 132 CO 0.29 0.40 0.19 1.49 -2.18 0.00 0.00 179.01 179.21 1fun h GLU 133 N 0.63 0.25 -0.34 1.92 4.22 -1.97 0.11 114.58 119.41 1fun h GLU 133 Ca 0.56 -0.01 -0.02 0.00 0.08 0.00 0.00 59.36 59.97 1fun h GLU 133 Cb 0.94 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.12 1fun h GLU 133 CO -0.42 0.16 0.13 1.03 -2.18 0.00 0.00 179.01 177.73 1fun h SER 134 N 0.26 0.47 0.27 1.04 0.87 0.45 0.58 113.55 117.49 1fun h SER 134 Ca 0.46 -0.17 0.00 0.00 -1.23 0.00 0.00 61.79 60.85 1fun h SER 134 Cb 0.83 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.67 1fun h SER 134 CO -0.56 0.51 0.00 0.71 -0.53 0.00 0.00 176.83 176.96 1fun h THR 135 N 0.40 0.00 0.00 2.23 1.35 0.89 0.13 112.91 117.90 1fun h THR 135 Ca 0.11 -0.14 -0.01 0.00 -0.55 0.00 0.00 66.41 65.83 1fun h THR 135 Cb 0.19 1.13 -0.00 0.00 -1.73 0.00 0.00 68.15 67.73 1fun h THR 135 CO -0.01 0.00 -0.73 -1.84 -0.25 0.00 0.00 175.52 172.69 1fun n GLU 136 N -3.07 0.37 -0.06 4.72 0.28 -0.03 -0.44 120.64 122.41 1fun n GLU 136 Ca -0.02 0.15 -0.12 0.00 -0.16 0.00 0.00 57.16 57.00 1fun n GLU 136 Cb 0.13 -1.14 -0.14 0.00 1.43 0.00 0.00 31.44 31.72 1fun n GLU 136 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 1fun n THR 137 N -4.15 1.55 -0.47 3.84 -2.24 0.19 -4.49 114.28 108.51 1fun n THR 137 Ca -0.11 -0.76 0.00 0.00 -2.27 0.00 0.00 64.05 60.91 1fun n THR 137 Cb 0.37 -1.01 0.00 0.00 -2.10 0.00 0.00 70.33 67.60 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 1.79 0.75 2.85 3.38 0.00 0.44 -4.15 105.19 110.25 1fun n GLY 138 Ca -0.29 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.55 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 0.00 -5.33 0.00 1.61 3.02 -1.26 -1.96 115.26 111.34 1fun n ASN 139 Ca 0.00 -0.27 0.06 0.00 -0.03 0.00 0.00 54.58 54.34 1fun n ASN 139 Cb 0.00 -4.13 0.28 0.00 -0.61 0.00 0.00 39.78 35.32 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 -3.46 1.67 0.00 5.41 0.00 -1.26 -4.58 120.51 118.29 1fun n ALA 140 Ca -0.07 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1fun n ALA 140 Cb 0.59 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.85 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 -0.31 -1.98 3.68 0.00 0.00 -1.26 0.98 105.19 106.30 1fun n GLY 141 Ca 0.05 -1.51 -0.29 0.00 0.00 0.00 0.00 46.02 44.27 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 2.43 -0.42 1.61 1.04 -1.26 -4.45 113.70 108.65 1fun s SER 142 Ca 0.00 1.01 -0.18 0.00 0.48 0.00 0.00 55.95 57.26 1fun s SER 142 Cb 0.00 -1.58 0.02 0.00 0.10 0.00 0.00 66.02 64.56 1fun s SER 142 CO 0.00 -3.23 0.48 -0.13 0.98 0.00 0.00 173.24 171.34 1fun s ARG 143 N -5.12 3.17 -0.06 4.02 0.52 -1.26 0.14 118.95 120.37 1fun s ARG 143 Ca 0.66 -0.64 -0.25 0.00 -0.52 0.00 0.00 55.73 54.98 1fun s ARG 143 Cb -0.16 -3.95 -0.20 0.00 0.52 0.00 0.00 34.95 31.15 1fun s ARG 143 CO 0.56 -0.87 1.03 -0.07 0.02 0.00 0.00 175.30 175.98 1fun h LEU 144 N 9.18 -0.05 -7.92 2.53 3.38 -1.37 -3.47 115.31 117.59 1fun h LEU 144 Ca -0.26 -0.57 -0.12 0.00 0.09 0.00 0.00 57.88 57.02 1fun h LEU 144 Cb 1.11 0.01 -0.17 0.00 0.09 0.00 0.00 40.66 41.70 1fun h LEU 144 CO 0.81 0.58 -0.52 0.00 0.09 0.00 0.00 178.44 179.39 1fun s ALA 145 N -3.61 -0.03 0.05 1.53 0.00 -1.17 -4.15 121.76 114.38 1fun s ALA 145 Ca -0.16 -0.61 -0.18 0.00 0.00 0.00 0.00 51.96 51.01 1fun s ALA 145 Cb 0.00 0.27 0.04 0.00 0.00 0.00 0.00 23.12 23.43 1fun s ALA 145 CO 0.62 -0.34 0.42 0.00 0.00 0.00 0.00 175.76 176.46 1fun s GLY 147 N -2.01 -0.41 0.35 0.00 0.00 -0.54 -2.87 107.32 101.83 1fun s GLY 147 Ca -0.05 1.56 -0.28 0.00 0.00 0.00 0.00 44.72 45.96 1fun s GLY 147 CO -0.02 1.37 1.22 0.14 0.00 0.00 0.00 173.10 175.80 1fun s VAL 148 N 0.35 3.00 -0.11 1.40 1.01 -1.26 -0.48 120.40 124.31 1fun s VAL 148 Ca -0.00 0.95 -0.22 0.00 0.00 0.00 0.00 61.98 62.70 1fun s VAL 148 Cb -0.04 -3.58 -0.03 0.00 0.00 0.00 0.00 36.38 32.73 1fun s VAL 148 CO -0.00 0.18 0.67 -0.63 0.00 0.00 0.00 175.10 175.33 1fun s ILE 149 N -1.24 5.04 0.30 2.22 1.01 0.99 -4.38 121.20 125.14 1fun s ILE 149 Ca 0.51 1.35 0.06 0.00 0.00 0.00 0.00 60.65 62.57 1fun s ILE 149 Cb -0.35 -4.01 -0.06 0.00 0.01 0.00 0.00 42.46 38.05 1fun s ILE 149 CO 0.46 0.20 -0.02 -0.83 0.00 0.00 0.00 174.94 174.75 1fun s GLY 150 N 0.91 1.96 0.29 6.18 0.00 -0.26 -1.00 107.32 115.40 1fun s GLY 150 Ca 0.34 -1.98 -0.28 0.00 0.00 0.00 0.00 44.72 42.80 1fun s GLY 150 CO 0.15 -1.86 1.02 -0.42 0.00 0.00 0.00 173.10 171.99 1fun s ILE 151 N -3.07 3.80 0.27 0.90 1.01 -1.26 -0.83 121.20 122.02 1fun s ILE 151 Ca 0.32 1.69 0.07 0.00 0.00 0.00 0.00 60.65 62.73 1fun s ILE 151 Cb 0.06 -4.02 -0.06 0.00 0.01 0.00 0.00 42.46 38.45 1fun s ILE 151 CO 0.13 0.31 -0.09 0.00 0.00 0.00 0.00 174.94 175.30 1fun s ALA 152 N -1.32 2.38 -2.00 9.38 0.00 -0.33 -4.78 121.76 125.09 1fun s ALA 152 Ca 0.47 -1.88 0.28 0.00 0.00 0.00 0.00 51.96 50.82 1fun s ALA 152 Cb -0.27 0.09 1.67 0.00 0.00 0.00 0.00 23.12 24.61 1fun s ALA 152 CO 0.34 -0.01 2.01 0.94 0.00 0.00 0.00 175.76 179.04