#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 0.51 -4.41 0.00 -1.04 -1.26 -4.77 114.28 103.31 1fun n THR 2 Ca 0.00 -0.29 -0.19 0.00 -2.04 0.00 0.00 64.05 61.52 1fun n THR 2 Cb 0.00 -0.81 -0.15 0.00 -1.82 0.00 0.00 70.33 67.56 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 -2.18 0.82 0.15 -2.82 1.02 -1.26 0.29 119.74 115.77 1fun s LYS 3 Ca -0.05 -0.41 -0.02 0.00 0.02 0.00 0.00 55.97 55.51 1fun s LYS 3 Cb 0.02 -0.79 -0.04 0.00 -0.52 0.00 0.00 37.83 36.50 1fun s LYS 3 CO 0.29 0.21 0.11 0.00 -0.92 0.00 0.00 175.35 175.04 1fun s ALA 4 N -0.32 0.80 -0.00 5.17 0.00 -0.23 -1.58 121.76 125.60 1fun s ALA 4 Ca 0.03 -1.44 -0.14 0.00 0.00 0.00 0.00 51.96 50.42 1fun s ALA 4 Cb -0.04 0.99 0.02 0.00 0.00 0.00 0.00 23.12 24.09 1fun s ALA 4 CO -0.00 -0.54 0.29 0.54 0.00 0.00 0.00 175.76 176.04 1fun s VAL 5 N -4.06 0.07 -0.06 0.00 0.11 -0.14 -0.93 120.40 115.39 1fun s VAL 5 Ca 0.27 -0.55 -0.00 0.00 -2.93 0.00 0.00 61.98 58.77 1fun s VAL 5 Cb 0.07 -0.67 0.02 0.00 -1.53 0.00 0.00 36.38 34.28 1fun s VAL 5 CO 0.04 -0.30 -0.02 0.00 -3.33 0.00 0.00 175.10 171.48 1fun s ALA 6 N -1.60 0.69 -0.46 1.54 0.00 0.64 -1.01 121.76 121.56 1fun s ALA 6 Ca -0.12 -0.09 -0.14 0.00 0.00 0.00 0.00 51.96 51.61 1fun s ALA 6 Cb -0.05 -0.57 0.07 0.00 0.00 0.00 0.00 23.12 22.58 1fun s ALA 6 CO 0.02 -0.22 0.36 0.08 0.00 0.00 0.00 175.76 176.01 1fun s VAL 7 N 1.39 4.98 -0.06 0.00 1.01 -1.26 -1.27 120.40 125.19 1fun s VAL 7 Ca -0.04 -1.15 -0.28 0.00 0.00 0.00 0.00 61.98 60.51 1fun s VAL 7 Cb -0.13 -3.99 -0.03 0.00 0.00 0.00 0.00 36.38 32.23 1fun s VAL 7 CO -0.03 -0.56 0.90 -0.76 0.00 0.00 0.00 175.10 174.65 1fun s LEU 8 N 1.59 4.31 0.08 3.92 1.43 0.77 -4.08 118.68 126.69 1fun s LEU 8 Ca 0.04 1.47 -0.14 0.00 -1.03 0.00 0.00 54.13 54.46 1fun s LEU 8 Cb -0.24 -3.41 0.02 0.00 0.03 0.00 0.00 46.19 42.59 1fun s LEU 8 CO 0.05 -0.28 0.33 -0.54 0.23 0.00 0.00 176.35 176.15 1fun s LYS 9 N 1.29 0.92 0.00 1.70 1.02 -0.44 -1.43 119.74 122.80 1fun s LYS 9 Ca 0.46 -0.63 0.00 0.00 0.02 0.00 0.00 55.97 55.82 1fun s LYS 9 Cb -0.19 0.40 0.00 0.00 -0.52 0.00 0.00 37.83 37.52 1fun s LYS 9 CO 0.22 -0.32 0.00 0.41 -0.92 0.00 0.00 175.35 174.73 1fun n GLY 10 N 0.17 4.67 0.00 -3.33 0.00 -1.23 -2.13 105.19 103.34 1fun n GLY 10 Ca -0.17 -0.67 0.10 0.00 0.00 0.00 0.00 46.02 45.28 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 0.00 0.88 0.00 1.61 8.00 -1.26 -4.99 116.55 120.79 1fun n ASP 11 Ca 0.00 -0.88 0.00 0.00 0.71 0.00 0.00 54.79 54.62 1fun n ASP 11 Cb 0.00 1.09 0.00 0.00 -0.02 0.00 0.00 41.12 42.19 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 1.46 6.23 0.00 0.44 0.00 -1.26 -5.03 105.19 107.02 1fun n GLY 12 Ca 0.03 -2.02 0.12 0.00 0.00 0.00 0.00 46.02 44.16 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 -2.20 1.61 -0.04 -1.26 -4.81 135.00 128.49 1fun n PRO 13 Ca 0.00 0.06 -0.42 0.00 -0.04 0.00 0.00 63.50 63.10 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 -2.77 3.59 0.04 0.52 1.01 -1.26 -4.35 120.40 117.19 1fun s VAL 14 Ca 0.18 1.03 -0.15 0.00 0.00 0.00 0.00 61.98 63.05 1fun s VAL 14 Cb 0.17 -3.66 0.02 0.00 0.00 0.00 0.00 36.38 32.91 1fun s VAL 14 CO 0.41 0.02 0.33 -1.10 0.00 0.00 0.00 175.10 174.76 1fun s GLN 15 N 2.08 0.84 0.00 2.72 -0.21 -1.09 -3.53 119.66 120.47 1fun s GLN 15 Ca 0.64 -0.48 0.00 0.00 0.02 0.00 0.00 55.36 55.55 1fun s GLN 15 Cb -0.33 0.36 0.00 0.00 1.00 0.00 0.00 33.01 34.04 1fun s GLN 15 CO 0.28 -0.27 0.00 0.41 -2.12 0.00 0.00 175.29 173.58 1fun n GLY 16 N 0.55 0.91 2.97 3.09 0.00 -0.52 -1.51 105.19 110.68 1fun n GLY 16 Ca -0.19 -0.89 -0.26 0.00 0.00 0.00 0.00 46.02 44.69 1fun n GLY 16 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1fun s ILE 17 N -2.00 1.12 -0.12 -0.61 1.01 -0.79 -0.17 121.20 119.65 1fun s ILE 17 Ca 0.00 -0.41 0.03 0.00 0.00 0.00 0.00 60.65 60.27 1fun s ILE 17 Cb 0.00 -1.07 0.01 0.00 0.01 0.00 0.00 42.46 41.41 1fun s ILE 17 CO 0.00 0.37 -0.21 -0.63 0.00 0.00 0.00 174.94 174.47 1fun s ILE 18 N 1.16 1.89 0.07 2.92 -1.09 -0.40 -2.15 121.20 123.59 1fun s ILE 18 Ca -0.05 -0.89 0.02 0.00 -2.23 0.00 0.00 60.65 57.50 1fun s ILE 18 Cb -0.14 -1.66 -0.04 0.00 -1.58 0.00 0.00 42.46 39.03 1fun s ILE 18 CO -0.02 0.52 0.10 0.20 -1.23 0.00 0.00 174.94 174.51 1fun s ASN 19 N 0.68 5.70 -0.01 3.58 0.01 0.02 -0.26 114.94 124.66 1fun s ASN 19 Ca -0.11 0.06 0.04 0.00 -0.71 0.00 0.00 52.86 52.13 1fun s ASN 19 Cb -0.16 -1.59 -0.01 0.00 0.41 0.00 0.00 41.25 39.90 1fun s ASN 19 CO 0.02 0.18 -0.13 -0.36 -1.51 0.00 0.00 177.10 175.30 1fun s PHE 20 N -1.39 1.19 -0.08 2.20 0.08 -0.10 -1.39 117.98 118.49 1fun s PHE 20 Ca 0.30 -0.25 -0.03 0.00 0.12 0.00 0.00 56.93 57.07 1fun s PHE 20 Cb -0.12 -0.78 0.05 0.00 -0.57 0.00 0.00 43.02 41.59 1fun s PHE 20 CO 0.22 -0.04 0.16 -2.00 -0.10 0.00 0.00 175.22 173.46 1fun s GLU 21 N -0.21 0.05 -0.34 0.44 2.12 -0.17 -1.06 118.70 119.52 1fun s GLU 21 Ca 0.03 0.54 0.03 0.00 0.36 0.00 0.00 54.97 55.93 1fun s GLU 21 Cb -0.06 -0.24 0.10 0.00 0.26 0.00 0.00 34.13 34.19 1fun s GLU 21 CO -0.00 -0.28 0.05 -1.14 -0.54 0.00 0.00 175.26 173.35 1fun s GLN 22 N 2.06 1.61 0.00 4.30 0.74 0.14 -1.07 119.66 127.46 1fun s GLN 22 Ca 0.00 -1.81 0.00 0.00 0.05 0.00 0.00 55.36 53.60 1fun s GLN 22 Cb -0.12 -3.21 0.00 0.00 1.10 0.00 0.00 33.01 30.78 1fun s GLN 22 CO -0.06 -0.91 0.68 1.63 -0.55 0.00 0.00 175.29 176.08 1fun n LYS 23 N 4.30 0.00 -3.02 1.67 5.02 -1.26 -4.45 118.16 120.43 1fun n LYS 23 Ca 0.01 0.49 -0.39 0.00 -2.02 0.00 0.00 58.31 56.40 1fun n LYS 23 Cb 0.42 -1.33 -0.06 0.00 -0.02 0.00 0.00 35.03 34.04 1fun n LYS 23 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1fun s GLU 24 N -2.34 4.52 0.57 1.97 2.12 -1.26 -4.95 118.70 119.33 1fun s GLU 24 Ca 0.00 1.10 0.32 0.00 0.36 0.00 0.00 54.97 56.75 1fun s GLU 24 Cb 0.00 -3.27 1.43 0.00 0.26 0.00 0.00 34.13 32.55 1fun s GLU 24 CO 0.00 0.55 1.77 0.66 -0.54 0.00 0.00 175.26 177.71 1fun h SER 25 N 4.47 0.00 -0.00 -1.70 4.64 -1.96 -0.80 113.55 118.19 1fun h SER 25 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1fun h SER 25 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1fun h SER 25 CO 0.66 0.00 -0.17 -0.46 -0.87 0.00 0.00 176.83 175.99 1fun n ASN 26 N -3.86 0.48 -3.83 4.97 6.94 -1.26 -4.93 115.26 113.77 1fun n ASN 26 Ca 0.18 -0.74 -0.30 0.00 -0.02 0.00 0.00 54.58 53.70 1fun n ASN 26 Cb 1.05 0.78 0.24 0.00 -2.36 0.00 0.00 39.78 39.49 1fun n ASN 26 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1fun s GLY 27 N -1.21 1.55 0.68 4.83 0.00 -0.31 -5.01 107.32 107.85 1fun s GLY 27 Ca 0.03 -0.87 -0.13 0.00 0.00 0.00 0.00 44.72 43.75 1fun s GLY 27 CO 0.16 0.02 1.07 2.56 0.00 0.00 0.00 173.10 176.91 1fun s PRO 28 N -5.30 2.85 -0.14 2.90 0.04 -1.26 -4.91 135.00 129.18 1fun s PRO 28 Ca 0.70 1.14 -0.10 0.00 0.04 0.00 0.00 61.00 62.79 1fun s PRO 28 Cb -0.11 -1.97 -0.05 0.00 0.04 0.00 0.00 34.50 32.41 1fun s PRO 28 CO 0.57 -1.18 0.18 0.08 0.04 0.00 0.00 177.00 176.68 1fun s VAL 29 N -2.74 5.41 -0.26 -0.36 1.01 0.14 -4.53 120.40 119.07 1fun s VAL 29 Ca 0.62 0.30 -0.11 0.00 0.00 0.00 0.00 61.98 62.79 1fun s VAL 29 Cb -0.16 -3.48 -0.05 0.00 0.00 0.00 0.00 36.38 32.69 1fun s VAL 29 CO 0.48 0.52 0.17 -0.75 0.00 0.00 0.00 175.10 175.53 1fun s LYS 30 N -0.35 4.02 -0.18 2.72 2.20 -0.23 -1.01 119.74 126.91 1fun s LYS 30 Ca 0.13 -0.29 -0.01 0.00 -0.36 0.00 0.00 55.97 55.44 1fun s LYS 30 Cb -0.12 -3.58 -0.00 0.00 -1.51 0.00 0.00 37.83 32.61 1fun s LYS 30 CO 0.03 -0.03 -0.12 0.08 -0.36 0.00 0.00 175.35 174.95 1fun s VAL 31 N 1.33 2.87 0.04 4.02 1.01 0.04 -1.00 120.40 128.71 1fun s VAL 31 Ca 0.07 -0.68 -0.11 0.00 0.00 0.00 0.00 61.98 61.26 1fun s VAL 31 Cb -0.14 -2.25 0.01 0.00 0.00 0.00 0.00 36.38 34.00 1fun s VAL 31 CO 0.07 0.49 0.25 -1.66 0.00 0.00 0.00 175.10 174.24 1fun s TRP 32 N 1.08 -0.02 -3.41 5.22 -2.14 -0.48 -0.96 118.94 118.23 1fun s TRP 32 Ca 0.00 -0.16 0.00 0.00 2.66 0.00 0.00 56.10 58.60 1fun s TRP 32 Cb -0.15 0.03 0.00 0.00 -3.10 0.00 0.00 33.47 30.25 1fun s TRP 32 CO -0.03 -0.46 0.00 0.41 -2.66 0.00 0.00 176.95 174.21 1fun n GLY 33 N 0.63 -0.59 3.55 3.67 0.00 -0.43 -0.80 105.19 111.23 1fun n GLY 33 Ca -0.19 -0.64 -0.13 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.71 0.07 1.61 0.15 -0.91 -1.60 113.70 108.31 1fun s SER 34 Ca 0.00 1.32 0.07 0.00 0.70 0.00 0.00 55.95 58.03 1fun s SER 34 Cb 0.00 1.31 -0.03 0.00 -1.71 0.00 0.00 66.02 65.59 1fun s SER 34 CO 0.00 -0.23 -0.18 -0.63 1.20 0.00 0.00 173.24 173.41 1fun s ILE 35 N 0.60 1.41 0.13 6.45 1.01 -0.50 -1.88 121.20 128.42 1fun s ILE 35 Ca -0.02 -1.32 -0.04 0.00 0.00 0.00 0.00 60.65 59.27 1fun s ILE 35 Cb -0.05 -1.29 -0.03 0.00 0.01 0.00 0.00 42.46 41.10 1fun s ILE 35 CO -0.03 -0.06 0.13 -1.59 0.00 0.00 0.00 174.94 173.39 1fun s LYS 36 N -1.60 0.96 0.00 2.79 -2.85 -0.57 0.04 119.74 118.51 1fun s LYS 36 Ca 0.03 -1.29 0.00 0.00 -1.00 0.00 0.00 55.97 53.71 1fun s LYS 36 Cb -0.09 0.29 0.00 0.00 -2.06 0.00 0.00 37.83 35.97 1fun s LYS 36 CO 0.03 -0.30 0.00 0.41 0.10 0.00 0.00 175.35 175.59 1fun n GLY 37 N -0.11 0.70 3.79 0.59 0.00 -0.87 -2.69 105.19 106.61 1fun n GLY 37 Ca -0.08 -0.65 -0.32 0.00 0.00 0.00 0.00 46.02 44.98 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 3.91 0.25 0.99 1.43 -0.14 -4.26 118.68 120.86 1fun s LEU 38 Ca 0.00 0.11 -0.30 0.00 -1.03 0.00 0.00 54.13 52.91 1fun s LEU 38 Cb 0.00 -2.41 -0.09 0.00 0.03 0.00 0.00 46.19 43.72 1fun s LEU 38 CO 0.00 0.23 1.11 0.42 0.23 0.00 0.00 176.35 178.34 1fun s THR 39 N -1.29 3.57 0.28 5.49 -4.23 -1.26 -3.88 115.64 114.32 1fun s THR 39 Ca 0.26 1.51 -0.29 0.00 -1.18 0.00 0.00 61.69 61.99 1fun s THR 39 Cb -0.12 -3.96 -0.14 0.00 1.34 0.00 0.00 72.50 69.62 1fun s THR 39 CO 0.18 0.33 1.15 1.21 -0.54 0.00 0.00 174.62 176.95 1fun n GLU 40 N 1.55 1.59 0.00 3.99 2.13 -1.26 -4.65 120.64 124.00 1fun n GLU 40 Ca 0.00 0.56 0.00 0.00 0.66 0.00 0.00 57.16 58.38 1fun n GLU 40 Cb 0.45 -2.03 0.00 0.00 0.27 0.00 0.00 31.44 30.13 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 1.38 0.40 3.86 8.31 0.00 0.27 -4.93 105.19 114.48 1fun n GLY 41 Ca 0.10 -2.25 -0.33 0.00 0.00 0.00 0.00 46.02 43.54 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 4.12 -0.05 0.99 1.43 -1.26 -0.50 118.68 123.41 1fun s LEU 42 Ca 0.00 1.16 -0.03 0.00 -1.03 0.00 0.00 54.13 54.22 1fun s LEU 42 Cb 0.00 -3.89 0.02 0.00 0.03 0.00 0.00 46.19 42.35 1fun s LEU 42 CO 0.00 -0.14 0.12 -1.00 0.23 0.00 0.00 176.35 175.57 1fun s HIS 43 N -1.89 -0.14 0.37 0.29 3.76 -0.50 -3.54 115.29 113.65 1fun s HIS 43 Ca 0.51 0.37 -0.28 0.00 -0.15 0.00 0.00 55.06 55.51 1fun s HIS 43 Cb -0.11 -0.02 -0.10 0.00 1.11 0.00 0.00 32.58 33.46 1fun s HIS 43 CO 0.19 -0.10 1.41 0.20 -0.85 0.00 0.00 174.74 175.58 1fun s GLY 44 N 0.52 2.96 -0.18 -2.22 0.00 -0.77 -0.84 107.32 106.78 1fun s GLY 44 Ca -0.04 1.44 -0.02 0.00 0.00 0.00 0.00 44.72 46.10 1fun s GLY 44 CO -0.02 2.10 0.00 -0.12 0.00 0.00 0.00 173.10 175.06 1fun s PHE 45 N -1.14 1.33 0.11 1.90 5.36 0.32 -0.07 117.98 125.79 1fun s PHE 45 Ca 0.52 -0.97 -0.06 0.00 -0.96 0.00 0.00 56.93 55.46 1fun s PHE 45 Cb -0.43 -1.15 -0.02 0.00 -0.34 0.00 0.00 43.02 41.08 1fun s PHE 45 CO 0.58 -0.61 0.15 -1.01 -1.46 0.00 0.00 175.22 172.88 1fun s HIS 46 N 1.75 0.44 -0.24 10.12 3.76 -0.89 -2.30 115.29 127.92 1fun s HIS 46 Ca -0.01 -0.86 -0.07 0.00 -0.15 0.00 0.00 55.06 53.97 1fun s HIS 46 Cb -0.17 -0.20 -0.03 0.00 1.11 0.00 0.00 32.58 33.29 1fun s HIS 46 CO -0.07 -0.57 0.07 0.08 -0.85 0.00 0.00 174.74 173.40 1fun s VAL 47 N -3.94 4.32 0.37 -0.90 1.01 -0.45 -0.72 120.40 120.09 1fun s VAL 47 Ca 0.13 -0.17 -0.01 0.00 0.00 0.00 0.00 61.98 61.93 1fun s VAL 47 Cb 0.05 -3.01 -0.04 0.00 0.00 0.00 0.00 36.38 33.38 1fun s VAL 47 CO -0.05 0.35 0.60 -1.00 0.00 0.00 0.00 175.10 175.00 1fun s HIS 48 N 1.53 3.51 0.27 5.22 3.76 0.63 -1.27 115.29 128.95 1fun s HIS 48 Ca 0.06 0.48 -0.01 0.00 -0.15 0.00 0.00 55.06 55.44 1fun s HIS 48 Cb -0.15 -2.00 0.49 0.00 1.11 0.00 0.00 32.58 32.02 1fun s HIS 48 CO 0.03 0.04 1.84 1.49 -0.85 0.00 0.00 174.74 177.30 1fun h GLU 49 N 0.76 0.95 -6.47 1.40 4.81 -0.81 -3.21 114.58 112.01 1fun h GLU 49 Ca -0.49 -0.06 -0.64 0.00 -0.13 0.00 0.00 59.36 58.05 1fun h GLU 49 Cb 1.21 -0.22 -0.14 0.00 0.63 0.00 0.00 28.75 30.24 1fun h GLU 49 CO 0.62 0.63 -0.72 -0.06 -0.73 0.00 0.00 179.01 178.76 1fun s PHE 50 N -5.99 2.71 -0.59 0.92 0.08 -0.86 -4.77 117.98 109.47 1fun s PHE 50 Ca -0.12 -0.18 0.01 0.00 0.12 0.00 0.00 56.93 56.76 1fun s PHE 50 Cb 0.21 -1.36 0.42 0.00 -0.57 0.00 0.00 43.02 41.72 1fun s PHE 50 CO 0.80 0.48 1.65 0.41 -0.10 0.00 0.00 175.22 178.47 1fun n GLY 51 N 0.25 5.91 3.44 4.36 0.00 -1.10 -2.41 105.19 115.63 1fun n GLY 51 Ca -0.12 -2.54 -0.40 0.00 0.00 0.00 0.00 46.02 42.96 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 -2.35 5.82 -0.32 1.61 -1.08 -1.26 -4.90 116.67 114.18 1fun s ASP 52 Ca 0.54 -0.72 0.07 0.00 -0.52 0.00 0.00 52.55 51.92 1fun s ASP 52 Cb 0.44 -2.07 0.46 0.00 -1.46 0.00 0.00 42.92 40.30 1fun s ASP 52 CO -0.16 -0.31 1.34 0.59 0.52 0.00 0.00 175.17 177.15 1fun n ASN 53 N 5.05 4.21 0.12 -0.34 5.03 -1.26 -3.25 115.26 124.81 1fun n ASN 53 Ca -0.12 -3.79 0.13 0.00 0.87 0.00 0.00 54.58 51.66 1fun n ASN 53 Cb 0.48 -0.50 0.45 0.00 -1.02 0.00 0.00 39.78 39.19 1fun n ASN 53 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 1fun n THR 54 N -0.88 0.72 -2.59 3.41 -2.24 -1.26 -3.00 114.28 108.42 1fun n THR 54 Ca 0.40 -0.03 -0.14 0.00 -2.27 0.00 0.00 64.05 62.00 1fun n THR 54 Cb 0.90 -0.88 0.02 0.00 -2.10 0.00 0.00 70.33 68.27 1fun n THR 54 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1fun n ALA 55 N -1.79 3.91 -0.98 6.98 0.00 -1.26 -5.05 120.51 122.31 1fun n ALA 55 Ca 0.04 -3.48 0.00 0.00 0.00 0.00 0.00 53.44 50.00 1fun n ALA 55 Cb 0.33 -0.79 0.00 0.00 0.00 0.00 0.00 19.45 18.99 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 -0.26 0.95 0.05 0.00 0.00 -1.16 -2.03 105.19 102.74 1fun n GLY 56 Ca 0.19 -0.74 0.07 0.00 0.00 0.00 0.00 46.02 45.55 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 1.21 0.00 0.00 2.02 -1.75 -2.81 112.91 111.57 1fun h THR 58 Ca 0.00 -0.50 0.00 0.00 0.77 0.00 0.00 66.41 66.68 1fun h THR 58 Cb 0.19 0.31 0.00 0.00 -1.74 0.00 0.00 68.15 66.91 1fun h THR 58 CO 0.00 0.22 0.00 -1.54 0.37 0.00 0.00 175.52 174.57 1fun n SER 59 N -4.53 0.00 0.01 4.18 3.41 -1.15 -3.51 113.62 112.03 1fun n SER 59 Ca 0.05 0.21 0.06 0.00 -0.26 0.00 0.00 58.87 58.93 1fun n SER 59 Cb 0.08 -0.38 0.25 0.00 -0.26 0.00 0.00 64.21 63.90 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 -1.38 1.51 -0.47 7.33 0.00 -1.06 -4.56 120.51 121.88 1fun n ALA 60 Ca 0.07 -0.03 0.01 0.00 0.00 0.00 0.00 53.44 53.49 1fun n ALA 60 Cb 0.19 -1.19 -0.00 0.00 0.00 0.00 0.00 19.45 18.45 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 -0.34 -1.64 2.40 0.00 0.00 -1.23 -2.04 105.19 102.34 1fun n GLY 61 Ca 0.03 -1.25 -0.19 0.00 0.00 0.00 0.00 46.02 44.61 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 -1.09 -1.47 -1.94 1.61 -0.04 -1.26 -4.55 135.00 126.26 1fun n PRO 62 Ca 0.00 -1.25 -0.36 0.00 -0.04 0.00 0.00 63.50 61.85 1fun n PRO 62 Cb 0.04 -0.95 0.04 0.00 -0.04 0.00 0.00 33.50 32.58 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 -2.63 2.32 -0.24 0.54 3.76 -1.26 -0.63 115.29 117.14 1fun s HIS 63 Ca 0.48 1.51 -0.29 0.00 -0.15 0.00 0.00 55.06 56.61 1fun s HIS 63 Cb -0.03 -3.51 -0.02 0.00 1.11 0.00 0.00 32.58 30.13 1fun s HIS 63 CO 0.35 -2.35 1.61 0.12 -0.85 0.00 0.00 174.74 173.62 1fun s PHE 64 N -1.59 2.11 -0.41 1.40 5.36 -0.39 -4.24 117.98 120.22 1fun s PHE 64 Ca 0.78 0.57 0.08 0.00 -0.96 0.00 0.00 56.93 57.40 1fun s PHE 64 Cb -0.31 -4.01 0.25 0.00 -0.34 0.00 0.00 43.02 38.61 1fun s PHE 64 CO 0.35 -2.86 0.54 -1.71 -1.46 0.00 0.00 175.22 170.08 1fun n ASN 65 N 8.61 0.44 -0.27 6.13 5.15 -1.26 -1.20 115.26 132.86 1fun n ASN 65 Ca 0.19 -2.75 -0.03 0.00 -0.60 0.00 0.00 54.58 51.39 1fun n ASN 65 Cb 0.45 -0.64 0.13 0.00 -0.53 0.00 0.00 39.78 39.19 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 4.00 1.12 -0.50 1.20 0.13 -1.91 -2.75 132.00 133.29 1fun h PRO 66 Ca 0.08 -0.15 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 1fun h PRO 66 Cb 0.86 -0.21 0.00 0.00 0.13 0.00 0.00 31.00 31.79 1fun h PRO 66 CO 0.49 0.86 0.00 1.28 -0.23 0.00 0.00 178.00 180.39 1fun n LEU 67 N -4.32 1.87 -4.01 1.56 4.77 -1.26 -4.94 117.00 110.66 1fun n LEU 67 Ca 0.08 -0.94 -0.35 0.00 -0.03 0.00 0.00 56.01 54.77 1fun n LEU 67 Cb 0.13 -0.33 -0.01 0.00 -2.33 0.00 0.00 43.42 40.89 1fun n LEU 67 CO 0.39 0.36 -0.23 -1.20 -1.33 0.00 0.00 177.39 175.38 1fun n SER 68 N 0.23 -2.33 -0.82 -1.43 7.64 -1.04 -4.98 113.62 110.88 1fun n SER 68 Ca 0.09 -1.16 0.00 0.00 1.01 0.00 0.00 58.87 58.81 1fun n SER 68 Cb 0.36 -2.39 0.00 0.00 -1.01 0.00 0.00 64.21 61.17 1fun n SER 68 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1fun n ARG 69 N -4.60 2.18 -4.18 1.43 5.12 -1.26 -5.13 116.66 110.23 1fun n ARG 69 Ca -0.20 0.00 -0.22 0.00 -1.93 0.00 0.00 57.85 55.49 1fun n ARG 69 Cb 0.63 0.00 -0.06 0.00 -1.16 0.00 0.00 32.46 31.87 1fun n ARG 69 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 1fun s LYS 70 N 0.97 2.58 0.63 5.56 1.02 -1.26 -4.84 119.74 124.40 1fun s LYS 70 Ca 0.00 -1.28 -0.17 0.00 0.02 0.00 0.00 55.97 54.54 1fun s LYS 70 Cb 0.00 -2.34 -0.01 0.00 -0.52 0.00 0.00 37.83 34.96 1fun s LYS 70 CO 0.00 0.34 1.20 -1.58 -0.92 0.00 0.00 175.35 174.39 1fun s HIS 71 N -2.26 2.33 0.02 3.18 5.65 -0.77 -2.42 115.29 121.02 1fun s HIS 71 Ca 0.33 1.54 -0.08 0.00 0.25 0.00 0.00 55.06 57.10 1fun s HIS 71 Cb -0.07 -3.45 0.03 0.00 -1.18 0.00 0.00 32.58 27.92 1fun s HIS 71 CO 0.23 -2.26 0.39 0.41 -0.65 0.00 0.00 174.74 172.85 1fun n GLY 72 N 0.36 0.72 3.91 1.59 0.00 -1.26 -4.44 105.19 106.07 1fun n GLY 72 Ca 0.13 -0.94 -0.28 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.81 1.63 0.57 -0.02 0.00 -1.25 -4.74 107.32 100.70 1fun s GLY 73 Ca 0.09 -0.65 0.27 0.00 0.00 0.00 0.00 44.72 44.42 1fun s GLY 73 CO 0.01 -0.29 2.06 -0.56 0.00 0.00 0.00 173.10 174.32 1fun h PRO 74 N -0.51 0.00 0.00 2.90 0.13 -1.86 -2.09 132.00 130.57 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 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1fun h PRO 74 CO 0.62 0.00 -0.47 0.87 -0.23 0.00 0.00 178.00 178.79 1fun h LYS 75 N 0.00 0.00 -7.02 0.86 1.57 -1.92 -3.48 116.57 106.58 1fun h LYS 75 Ca 0.13 0.00 -0.47 0.00 -1.87 0.00 0.00 60.65 58.43 1fun h LYS 75 Cb 0.62 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.95 1fun h LYS 75 CO -0.00 0.00 0.39 -0.51 -0.57 0.00 0.00 179.45 178.76 1fun s ASP 76 N -4.43 6.58 0.17 0.86 1.01 -0.79 -4.94 116.67 115.14 1fun s ASP 76 Ca 0.07 1.97 -0.05 0.00 0.71 0.00 0.00 52.55 55.24 1fun s ASP 76 Cb 0.13 -2.57 0.06 0.00 1.01 0.00 0.00 42.92 41.54 1fun s ASP 76 CO 0.69 -0.61 1.47 -0.33 0.21 0.00 0.00 175.17 176.60 1fun h GLU 77 N 2.04 0.64 -5.64 8.23 5.08 -1.92 -3.38 114.58 119.62 1fun h GLU 77 Ca -0.49 -0.41 -0.63 0.00 -1.00 0.00 0.00 59.36 56.84 1fun h GLU 77 Cb 1.22 0.05 -0.14 0.00 0.50 0.00 0.00 28.75 30.38 1fun h GLU 77 CO 0.61 1.02 0.44 -2.00 -1.00 0.00 0.00 179.01 178.08 1fun s GLU 78 N -4.01 3.28 -0.11 2.33 2.56 -1.26 -4.96 118.70 116.53 1fun s GLU 78 Ca -0.08 -0.41 -0.32 0.00 0.00 0.00 0.00 54.97 54.15 1fun s GLU 78 Cb 0.11 -4.06 0.12 0.00 2.00 0.00 0.00 34.13 32.30 1fun s GLU 78 CO 0.85 -1.42 1.10 -0.98 -0.56 0.00 0.00 175.26 174.25 1fun s ARG 79 N 3.63 0.51 0.54 4.30 1.04 -1.01 -4.04 118.95 123.91 1fun s ARG 79 Ca 0.27 -0.20 -0.12 0.00 -1.04 0.00 0.00 55.73 54.64 1fun s ARG 79 Cb -0.14 0.23 -0.06 0.00 -2.04 0.00 0.00 34.95 32.94 1fun s ARG 79 CO 0.17 -0.22 0.95 -1.01 -0.04 0.00 0.00 175.30 175.15 1fun s HIS 80 N -2.68 3.54 0.39 5.89 3.76 -1.21 -4.62 115.29 120.35 1fun s HIS 80 Ca 0.08 1.26 0.12 0.00 -0.15 0.00 0.00 55.06 56.36 1fun s HIS 80 Cb -0.01 -2.65 0.78 0.00 1.11 0.00 0.00 32.58 31.81 1fun s HIS 80 CO -0.06 -0.45 1.88 0.28 -0.85 0.00 0.00 174.74 175.54 1fun h VAL 81 N 0.36 1.21 0.00 -0.90 2.07 -1.83 -2.38 116.25 114.79 1fun h VAL 81 Ca -0.46 -1.00 0.00 0.00 0.82 0.00 0.00 66.70 66.07 1fun h VAL 81 Cb 1.19 1.46 0.00 0.00 -1.52 0.00 0.00 31.29 32.42 1fun h VAL 81 CO 0.62 0.29 0.00 0.61 0.02 0.00 0.00 177.57 179.11 1fun n GLY 82 N -0.69 -1.23 3.55 2.17 0.00 -0.34 -4.46 105.19 104.19 1fun n GLY 82 Ca -0.02 -0.09 -0.39 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.85 5.87 -0.10 1.61 1.01 -0.90 -1.34 116.67 119.97 1fun s ASP 83 Ca 0.15 -0.36 0.19 0.00 0.71 0.00 0.00 52.55 53.24 1fun s ASP 83 Cb 0.16 -2.55 0.70 0.00 1.01 0.00 0.00 42.92 42.24 1fun s ASP 83 CO 0.41 -2.02 1.61 0.18 0.21 0.00 0.00 175.17 175.56 1fun n LEU 84 N 10.63 4.63 0.00 1.23 4.77 -0.97 -3.69 117.00 133.60 1fun n LEU 84 Ca 0.14 -2.40 0.00 0.00 -0.03 0.00 0.00 56.01 53.72 1fun n LEU 84 Cb 0.50 -0.56 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 1fun n LEU 84 CO 0.70 0.83 0.00 0.61 -1.33 0.00 0.00 177.39 178.20 1fun n GLY 85 N 1.13 0.39 3.33 -0.72 0.00 -1.19 -4.78 105.19 103.35 1fun n GLY 85 Ca 0.25 -0.85 -0.24 0.00 0.00 0.00 0.00 46.02 45.19 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 2.76 0.23 1.61 0.01 -1.26 -0.53 114.94 113.77 1fun s ASN 86 Ca 0.00 -0.79 0.10 0.00 -0.71 0.00 0.00 52.86 51.46 1fun s ASN 86 Cb 0.00 -0.17 -0.04 0.00 0.41 0.00 0.00 41.25 41.45 1fun s ASN 86 CO 0.00 0.04 -0.11 0.68 -1.51 0.00 0.00 177.10 176.20 1fun s VAL 87 N -1.59 3.01 -0.22 1.60 -7.23 -0.02 -4.88 120.40 111.07 1fun s VAL 87 Ca 0.13 -1.96 -0.01 0.00 -1.81 0.00 0.00 61.98 58.32 1fun s VAL 87 Cb -0.08 -2.55 0.01 0.00 0.56 0.00 0.00 36.38 34.33 1fun s VAL 87 CO 0.06 -0.26 -0.10 -0.89 -0.31 0.00 0.00 175.10 173.60 1fun s THR 88 N -2.08 2.77 -0.11 5.32 2.01 -1.26 -1.41 115.64 120.88 1fun s THR 88 Ca 0.28 -0.85 -0.15 0.00 0.31 0.00 0.00 61.69 61.28 1fun s THR 88 Cb -0.07 -2.30 -0.05 0.00 0.01 0.00 0.00 72.50 70.09 1fun s THR 88 CO 0.16 0.36 0.35 0.00 -0.69 0.00 0.00 174.62 174.81 1fun s ALA 89 N 1.36 3.61 0.62 7.40 0.00 0.34 -4.26 121.76 130.83 1fun s ALA 89 Ca 0.03 -0.35 0.00 0.00 0.00 0.00 0.00 51.96 51.65 1fun s ALA 89 Cb -0.15 -2.42 0.00 0.00 0.00 0.00 0.00 23.12 20.55 1fun s ALA 89 CO -0.07 0.21 0.00 -0.40 0.00 0.00 0.00 175.76 175.50 1fun n ASP 90 N 3.03 0.00 -0.24 0.00 5.68 -0.00 -0.56 116.55 124.45 1fun n ASP 90 Ca -0.12 -0.34 -0.00 0.00 -0.50 0.00 0.00 54.79 53.82 1fun n ASP 90 Cb 0.52 0.00 0.12 0.00 -1.14 0.00 0.00 41.12 40.62 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 0.67 0.00 0.11 1.57 -1.95 -0.46 116.57 116.51 1fun h LYS 91 Ca 0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1fun h LYS 91 Cb 0.00 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.16 1fun h LYS 91 CO 0.00 0.44 0.00 -0.25 -0.57 0.00 0.00 179.45 179.07 1fun n ASP 92 N -4.79 0.00 -0.53 0.86 8.00 -1.26 -4.85 116.55 113.98 1fun n ASP 92 Ca 0.10 -1.04 -0.07 0.00 0.71 0.00 0.00 54.79 54.49 1fun n ASP 92 Cb 0.20 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.28 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 0.40 0.91 3.76 0.44 0.00 -0.18 -4.70 105.19 105.82 1fun n GLY 93 Ca 0.11 -0.74 -0.36 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.26 4.79 -0.27 1.61 1.01 -1.26 -0.97 120.40 123.06 1fun s VAL 94 Ca 0.00 -0.07 0.02 0.00 0.00 0.00 0.00 61.98 61.93 1fun s VAL 94 Cb 0.00 -3.05 0.07 0.00 0.00 0.00 0.00 36.38 33.40 1fun s VAL 94 CO 0.00 0.61 -0.05 0.00 0.00 0.00 0.00 175.10 175.66 1fun s ALA 95 N -0.95 2.41 -0.79 5.51 0.00 0.11 -0.82 121.76 127.23 1fun s ALA 95 Ca 0.14 -1.80 -0.23 0.00 0.00 0.00 0.00 51.96 50.07 1fun s ALA 95 Cb -0.12 -1.62 0.07 0.00 0.00 0.00 0.00 23.12 21.45 1fun s ALA 95 CO 0.03 -1.32 1.16 -0.51 0.00 0.00 0.00 175.76 175.13 1fun s ASP 96 N 1.17 6.30 0.20 0.00 1.01 -1.26 -1.42 116.67 122.68 1fun s ASP 96 Ca -0.03 -1.09 -0.30 0.00 0.71 0.00 0.00 52.55 51.84 1fun s ASP 96 Cb -0.19 -2.48 -0.08 0.00 1.01 0.00 0.00 42.92 41.17 1fun s ASP 96 CO -0.07 -1.50 1.15 -0.69 0.21 0.00 0.00 175.17 174.27 1fun s VAL 97 N 4.47 3.62 -0.31 -1.27 1.01 -0.62 -4.91 120.40 122.39 1fun s VAL 97 Ca 0.32 1.43 0.02 0.00 0.00 0.00 0.00 61.98 63.75 1fun s VAL 97 Cb -0.09 -3.91 0.16 0.00 0.00 0.00 0.00 36.38 32.54 1fun s VAL 97 CO 0.05 0.26 0.42 -0.55 0.00 0.00 0.00 175.10 175.27 1fun s SER 98 N -0.14 0.40 0.16 3.32 0.15 -1.26 -1.32 113.70 115.01 1fun s SER 98 Ca 0.50 -0.55 0.05 0.00 0.70 0.00 0.00 55.95 56.65 1fun s SER 98 Cb -0.32 1.08 -0.04 0.00 -1.71 0.00 0.00 66.02 65.03 1fun s SER 98 CO 0.37 -0.33 -0.09 -0.63 1.20 0.00 0.00 173.24 173.75 1fun s ILE 99 N 2.38 1.18 -0.21 6.45 1.01 -0.14 -5.02 121.20 126.85 1fun s ILE 99 Ca 0.11 -2.07 -0.04 0.00 0.00 0.00 0.00 60.65 58.66 1fun s ILE 99 Cb -0.12 -1.90 0.11 0.00 0.01 0.00 0.00 42.46 40.56 1fun s ILE 99 CO -0.26 -0.71 0.28 -0.70 0.00 0.00 0.00 174.94 173.55 1fun s GLU 100 N -3.75 0.25 0.27 2.79 2.12 -1.26 -0.78 118.70 118.32 1fun s GLU 100 Ca 0.18 0.35 0.10 0.00 0.36 0.00 0.00 54.97 55.96 1fun s GLU 100 Cb 0.03 -0.89 -0.04 0.00 0.26 0.00 0.00 34.13 33.48 1fun s GLU 100 CO 0.01 -0.63 -0.04 0.34 -0.54 0.00 0.00 175.26 174.40 1fun s ASP 101 N 2.41 4.36 0.00 -1.70 2.15 -0.18 -4.92 116.67 118.79 1fun s ASP 101 Ca 0.09 -0.71 0.00 0.00 0.43 0.00 0.00 52.55 52.35 1fun s ASP 101 Cb -0.15 -0.74 0.00 0.00 -0.30 0.00 0.00 42.92 41.72 1fun s ASP 101 CO -0.13 0.01 0.18 -1.20 -0.17 0.00 0.00 175.17 173.86 1fun n SER 102 N -0.81 0.35 0.03 -0.34 7.64 -1.26 0.24 113.62 119.48 1fun n SER 102 Ca -0.06 -0.67 -0.19 0.00 1.01 0.00 0.00 58.87 58.96 1fun n SER 102 Cb 0.59 0.55 -0.14 0.00 -1.01 0.00 0.00 64.21 64.20 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 0.04 0.84 -3.95 0.44 2.07 -1.94 -3.46 116.25 110.28 1fun h VAL 103 Ca 0.00 -2.53 -0.49 0.00 0.82 0.00 0.00 66.70 64.49 1fun h VAL 103 Cb 0.02 2.61 0.03 0.00 -1.52 0.00 0.00 31.29 32.43 1fun h VAL 103 CO 0.00 0.82 0.25 0.27 0.02 0.00 0.00 177.57 178.93 1fun s ILE 104 N -2.58 4.74 0.16 4.57 -4.36 -1.26 -4.92 121.20 117.55 1fun s ILE 104 Ca -0.15 0.72 -0.10 0.00 -0.26 0.00 0.00 60.65 60.86 1fun s ILE 104 Cb 0.07 -3.80 -0.00 0.00 1.25 0.00 0.00 42.46 39.97 1fun s ILE 104 CO 0.82 -0.80 0.31 -0.55 0.24 0.00 0.00 174.94 174.95 1fun s SER 105 N -3.64 0.01 -0.22 4.36 0.15 -1.09 -4.53 113.70 108.75 1fun s SER 105 Ca 0.53 -0.81 0.14 0.00 0.70 0.00 0.00 55.95 56.51 1fun s SER 105 Cb -0.10 0.45 0.78 0.00 -1.71 0.00 0.00 66.02 65.43 1fun s SER 105 CO 0.41 -0.91 1.68 0.18 1.20 0.00 0.00 173.24 175.80 1fun n LEU 106 N -0.22 5.44 -3.60 3.45 4.77 -1.26 -0.96 117.00 124.62 1fun n LEU 106 Ca -0.08 -2.76 -0.10 0.00 -0.03 0.00 0.00 56.01 53.04 1fun n LEU 106 Cb 0.63 -0.67 -0.06 0.00 -2.33 0.00 0.00 43.42 40.99 1fun n LEU 106 CO 0.23 0.63 0.77 -0.94 -1.33 0.00 0.00 177.39 176.74 1fun s SER 107 N -0.75 -0.39 0.00 -1.43 1.04 -1.26 -1.62 113.70 109.29 1fun s SER 107 Ca 0.52 0.55 0.00 0.00 0.48 0.00 0.00 55.95 57.50 1fun s SER 107 Cb 0.39 0.49 0.00 0.00 0.10 0.00 0.00 66.02 67.00 1fun s SER 107 CO 0.16 -0.28 0.00 0.61 0.98 0.00 0.00 173.24 174.71 1fun n GLY 108 N 1.24 -1.58 0.26 7.32 0.00 -1.26 -4.06 105.19 107.10 1fun n GLY 108 Ca -0.11 -2.06 0.17 0.00 0.00 0.00 0.00 46.02 44.02 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 0.00 -0.42 1.61 3.32 -2.01 -1.31 116.42 117.61 1fun h ASP 109 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1fun h ASP 109 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1fun h ASP 109 CO 0.00 0.00 0.00 1.41 -1.72 0.00 0.00 179.24 178.93 1fun n HIS 110 N -2.83 1.34 -2.14 4.55 8.25 -1.26 -4.92 115.22 118.20 1fun n HIS 110 Ca -0.00 -0.76 -0.42 0.00 -0.26 0.00 0.00 57.72 56.28 1fun n HIS 110 Cb 0.19 -0.34 -0.03 0.00 1.12 0.00 0.00 29.99 30.92 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 -1.35 6.80 0.00 0.41 0.15 -0.49 -2.66 113.70 116.56 1fun s SER 111 Ca 0.46 2.35 0.27 0.00 0.70 0.00 0.00 55.95 59.72 1fun s SER 111 Cb 0.34 -2.59 0.79 0.00 -1.71 0.00 0.00 66.02 62.86 1fun s SER 111 CO 0.14 -0.68 1.59 2.30 1.20 0.00 0.00 173.24 177.79 1fun n ILE 112 N 4.00 0.00 -1.76 6.45 -5.35 -0.13 -4.92 119.36 117.65 1fun n ILE 112 Ca 0.12 -0.08 -0.42 0.00 -0.27 0.00 0.00 62.75 62.10 1fun n ILE 112 Cb 0.42 0.23 -0.03 0.00 -1.74 0.00 0.00 39.64 38.52 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 -2.65 2.69 0.00 7.28 1.01 -1.26 -1.91 121.20 126.36 1fun s ILE 113 Ca 0.21 0.15 0.00 0.00 0.00 0.00 0.00 60.65 61.01 1fun s ILE 113 Cb 0.19 -3.10 0.00 0.00 0.01 0.00 0.00 42.46 39.56 1fun s ILE 113 CO 0.56 -0.00 0.00 0.61 0.00 0.00 0.00 174.94 176.11 1fun n GLY 114 N 4.21 0.84 3.43 6.18 0.00 0.56 -5.02 105.19 115.39 1fun n GLY 114 Ca 0.17 -0.07 -0.22 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.68 1.57 -0.02 1.61 0.52 -0.80 -2.72 118.95 118.43 1fun s ARG 115 Ca 0.00 -1.72 -0.26 0.00 -0.52 0.00 0.00 55.73 53.22 1fun s ARG 115 Cb 0.00 -1.54 -0.04 0.00 0.52 0.00 0.00 34.95 33.89 1fun s ARG 115 CO 0.00 0.27 0.82 0.99 0.02 0.00 0.00 175.30 177.40 1fun s THR 116 N -2.68 4.93 -0.09 0.02 2.01 -1.01 -0.95 115.64 117.87 1fun s THR 116 Ca 0.28 1.72 -0.15 0.00 0.31 0.00 0.00 61.69 63.85 1fun s THR 116 Cb -0.03 -4.17 -0.05 0.00 0.01 0.00 0.00 72.50 68.27 1fun s THR 116 CO 0.12 0.23 0.39 -0.22 -0.69 0.00 0.00 174.62 174.45 1fun s LEU 117 N 0.76 4.34 -0.01 4.42 2.96 -0.45 -0.27 118.68 130.43 1fun s LEU 117 Ca 0.44 0.76 0.03 0.00 -0.22 0.00 0.00 54.13 55.14 1fun s LEU 117 Cb -0.19 -2.54 -0.01 0.00 0.50 0.00 0.00 46.19 43.95 1fun s LEU 117 CO 0.23 0.15 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.62 1fun s VAL 118 N -0.05 0.83 -0.10 1.68 1.01 0.10 -2.17 120.40 121.71 1fun s VAL 118 Ca 0.22 -0.46 0.04 0.00 0.00 0.00 0.00 61.98 61.78 1fun s VAL 118 Cb -0.15 -0.70 -0.00 0.00 0.00 0.00 0.00 36.38 35.53 1fun s VAL 118 CO 0.09 0.23 -0.24 0.54 0.00 0.00 0.00 175.10 175.72 1fun s VAL 119 N -0.26 2.07 0.46 2.92 0.11 -0.63 -2.10 120.40 122.97 1fun s VAL 119 Ca 0.04 -1.02 0.02 0.00 -2.93 0.00 0.00 61.98 58.09 1fun s VAL 119 Cb -0.04 -1.78 0.01 0.00 -1.53 0.00 0.00 36.38 33.04 1fun s VAL 119 CO -0.00 0.56 0.67 -1.00 -3.33 0.00 0.00 175.10 171.99 1fun s HIS 120 N 0.30 3.07 -0.00 1.54 3.76 0.90 -1.41 115.29 123.45 1fun s HIS 120 Ca -0.18 0.06 -0.25 0.00 -0.15 0.00 0.00 55.06 54.54 1fun s HIS 120 Cb -0.18 -2.41 -0.19 0.00 1.11 0.00 0.00 32.58 30.91 1fun s HIS 120 CO 0.09 -0.47 1.34 1.49 -0.85 0.00 0.00 174.74 176.33 1fun h GLU 121 N 0.38 -0.01 -6.24 1.40 4.81 -0.98 -3.35 114.58 110.58 1fun h GLU 121 Ca -0.44 0.00 -0.55 0.00 -0.13 0.00 0.00 59.36 58.24 1fun h GLU 121 Cb 1.27 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.63 1fun h GLU 121 CO 0.54 0.40 -0.20 0.15 -0.73 0.00 0.00 179.01 179.17 1fun s LYS 122 N -4.55 2.26 0.44 1.92 1.02 0.11 -4.86 119.74 116.08 1fun s LYS 122 Ca -0.15 -1.88 -0.21 0.00 0.02 0.00 0.00 55.97 53.74 1fun s LYS 122 Cb 0.02 -2.33 -0.10 0.00 -0.52 0.00 0.00 37.83 34.91 1fun s LYS 122 CO 0.67 -0.76 1.00 0.00 -0.92 0.00 0.00 175.35 175.34 1fun s ALA 123 N -2.75 2.99 -0.09 5.17 0.00 -1.23 -1.85 121.76 124.00 1fun s ALA 123 Ca 0.46 0.54 -0.25 0.00 0.00 0.00 0.00 51.96 52.71 1fun s ALA 123 Cb -0.04 -3.21 -0.03 0.00 0.00 0.00 0.00 23.12 19.84 1fun s ALA 123 CO 0.29 -0.10 0.78 0.34 0.00 0.00 0.00 175.76 177.07 1fun s ASP 124 N -1.97 7.03 0.00 0.00 -1.08 -1.26 -4.05 116.67 115.34 1fun s ASP 124 Ca 0.63 1.25 0.14 0.00 -0.52 0.00 0.00 52.55 54.05 1fun s ASP 124 Cb -0.15 -2.45 0.54 0.00 -1.46 0.00 0.00 42.92 39.41 1fun s ASP 124 CO 0.19 -0.22 1.39 -0.90 0.52 0.00 0.00 175.17 176.14 1fun n ASP 125 N 4.25 1.20 -3.37 -0.34 5.68 0.06 -4.91 116.55 119.13 1fun n ASP 125 Ca 0.02 -1.80 -0.24 0.00 -0.50 0.00 0.00 54.79 52.26 1fun n ASP 125 Cb 0.50 -0.12 0.03 0.00 -1.14 0.00 0.00 41.12 40.40 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 0.08 -2.41 0.00 -2.12 4.77 -1.26 -2.28 117.00 113.78 1fun n LEU 126 Ca 0.12 -0.44 0.00 0.00 -0.03 0.00 0.00 56.01 55.65 1fun n LEU 126 Cb 0.22 -2.65 0.00 0.00 -2.33 0.00 0.00 43.42 38.66 1fun n LEU 126 CO 0.09 0.31 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 1fun n GLY 127 N -1.52 0.81 2.16 -0.72 0.00 -1.25 -3.88 105.19 100.80 1fun n GLY 127 Ca -0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.71 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 2.34 0.00 1.61 5.02 -0.97 -4.58 118.16 119.59 1fun n LYS 128 Ca 0.00 -2.70 0.05 0.00 -2.02 0.00 0.00 58.31 53.65 1fun n LYS 128 Cb 0.00 -2.06 0.01 0.00 -0.02 0.00 0.00 35.03 32.97 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 -0.57 -0.18 1.87 0.72 0.00 -1.26 -5.01 105.19 100.76 1fun n GLY 129 Ca 0.52 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 0.86 1.80 3.58 -0.02 0.00 -1.26 -4.98 105.19 105.16 1fun n GLY 130 Ca 0.05 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.23 3.81 0.11 1.61 2.20 -1.26 -5.02 114.94 113.16 1fun s ASN 131 Ca 0.00 -1.27 -0.25 0.00 -0.94 0.00 0.00 52.86 50.40 1fun s ASN 131 Cb 0.00 -0.37 -0.07 0.00 -2.00 0.00 0.00 41.25 38.80 1fun s ASN 131 CO 0.00 -0.31 1.66 -0.08 -2.94 0.00 0.00 177.10 175.43 1fun h GLU 132 N 1.91 -0.30 -0.07 3.55 4.81 -1.99 0.07 114.58 122.55 1fun h GLU 132 Ca -0.43 0.02 0.02 0.00 -0.13 0.00 0.00 59.36 58.84 1fun h GLU 132 Cb 1.25 0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.69 1fun h GLU 132 CO 0.75 -0.20 0.10 0.93 -0.73 0.00 0.00 179.01 179.85 1fun h GLU 133 N -0.32 0.00 -0.55 1.92 4.39 -1.98 -0.08 114.58 117.96 1fun h GLU 133 Ca 0.04 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.69 1fun h GLU 133 Cb 0.37 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.99 1fun h GLU 133 CO -0.14 0.00 0.14 1.03 -1.16 0.00 0.00 179.01 178.87 1fun h SER 134 N 0.00 0.84 -0.22 1.42 0.87 -1.33 0.24 113.55 115.38 1fun h SER 134 Ca 0.03 -0.23 0.00 0.00 -1.23 0.00 0.00 61.79 60.36 1fun h SER 134 Cb 0.22 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1fun h SER 134 CO -0.00 0.85 0.00 0.35 -0.53 0.00 0.00 176.83 177.50 1fun n THR 135 N -4.40 0.29 -0.01 2.23 -2.24 -0.06 -2.29 114.28 107.80 1fun n THR 135 Ca 0.02 -0.30 -0.01 0.00 -2.27 0.00 0.00 64.05 61.49 1fun n THR 135 Cb 0.23 0.15 -0.00 0.00 -2.10 0.00 0.00 70.33 68.61 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 0.15 0.03 0.00 -0.78 1.02 -0.93 -1.85 120.64 118.27 1fun n GLU 136 Ca 0.08 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 1fun n GLU 136 Cb 0.19 -0.59 0.00 0.00 -0.02 0.00 0.00 31.44 31.03 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 -3.00 0.00 -1.01 2.62 -2.24 -0.00 -4.75 114.28 105.89 1fun n THR 137 Ca -0.02 -0.43 -0.00 0.00 -2.27 0.00 0.00 64.05 61.33 1fun n THR 137 Cb 0.52 1.06 -0.00 0.00 -2.10 0.00 0.00 70.33 69.80 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 0.52 0.43 3.54 3.38 0.00 -0.73 -3.38 105.19 108.94 1fun n GLY 138 Ca 0.00 -0.08 -0.25 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.06 -5.98 -0.12 1.61 3.02 -1.23 -0.76 115.26 111.74 1fun n ASN 139 Ca -0.00 -0.53 0.14 0.00 -0.03 0.00 0.00 54.58 54.16 1fun n ASN 139 Cb 0.10 -4.74 0.58 0.00 -0.61 0.00 0.00 39.78 35.11 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 -4.62 2.79 -0.35 5.41 0.00 -1.22 -4.61 120.51 117.91 1fun n ALA 140 Ca -0.01 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.16 1fun n ALA 140 Cb 0.56 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.70 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 1.30 -0.91 3.54 0.00 0.00 -1.26 -0.71 105.19 107.15 1fun n GLY 141 Ca 0.14 -1.18 -0.31 0.00 0.00 0.00 0.00 46.02 44.67 1fun n GLY 141 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1fun n SER 142 N -0.89 -0.86 -4.41 1.61 3.41 -1.26 -4.57 113.62 106.65 1fun n SER 142 Ca 0.00 0.23 -0.44 0.00 -0.26 0.00 0.00 58.87 58.40 1fun n SER 142 Cb 0.00 -1.33 -0.05 0.00 -0.26 0.00 0.00 64.21 62.57 1fun n SER 142 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1fun s ARG 143 N -4.27 3.09 0.07 4.33 0.52 -1.26 -1.02 118.95 120.41 1fun s ARG 143 Ca 0.64 -1.09 -0.20 0.00 -0.52 0.00 0.00 55.73 54.57 1fun s ARG 143 Cb -0.22 -4.18 -0.10 0.00 0.52 0.00 0.00 34.95 30.97 1fun s ARG 143 CO 0.62 -1.38 1.50 -0.07 0.02 0.00 0.00 175.30 175.99 1fun h LEU 144 N 9.87 0.35 -7.32 2.53 3.38 -1.53 -3.47 115.31 119.12 1fun h LEU 144 Ca -0.28 -0.31 -0.09 0.00 0.09 0.00 0.00 57.88 57.29 1fun h LEU 144 Cb 1.09 -0.09 -0.18 0.00 0.09 0.00 0.00 40.66 41.56 1fun h LEU 144 CO 1.03 0.57 -0.08 0.00 0.09 0.00 0.00 178.44 180.05 1fun s ALA 145 N -4.97 -1.14 0.28 1.53 0.00 -1.20 -4.25 121.76 112.01 1fun s ALA 145 Ca -0.14 0.58 -0.02 0.00 0.00 0.00 0.00 51.96 52.38 1fun s ALA 145 Cb 0.07 0.17 -0.02 0.00 0.00 0.00 0.00 23.12 23.33 1fun s ALA 145 CO 0.73 -0.37 0.34 0.00 0.00 0.00 0.00 175.76 176.46 1fun s GLY 147 N -3.19 -0.21 0.02 0.00 0.00 -0.92 -1.33 107.32 101.68 1fun s GLY 147 Ca 0.33 2.45 -0.30 0.00 0.00 0.00 0.00 44.72 47.20 1fun s GLY 147 CO 0.17 1.61 1.04 0.14 0.00 0.00 0.00 173.10 176.05 1fun s VAL 148 N -0.14 4.65 -0.16 1.40 1.01 -1.26 -1.34 120.40 124.56 1fun s VAL 148 Ca 0.01 1.90 -0.29 0.00 0.00 0.00 0.00 61.98 63.60 1fun s VAL 148 Cb -0.04 -4.22 -0.01 0.00 0.00 0.00 0.00 36.38 32.11 1fun s VAL 148 CO -0.04 0.15 1.25 -0.63 0.00 0.00 0.00 175.10 175.83 1fun s ILE 149 N 1.02 4.29 0.27 2.22 1.01 -0.12 -4.44 121.20 125.45 1fun s ILE 149 Ca 0.54 1.57 0.07 0.00 0.00 0.00 0.00 60.65 62.82 1fun s ILE 149 Cb -0.23 -4.01 -0.06 0.00 0.01 0.00 0.00 42.46 38.17 1fun s ILE 149 CO 0.28 -0.13 -0.07 -0.83 0.00 0.00 0.00 174.94 174.19 1fun s GLY 150 N 1.91 1.77 0.01 6.18 0.00 -0.18 -0.32 107.32 116.69 1fun s GLY 150 Ca 0.54 -1.87 -0.30 0.00 0.00 0.00 0.00 44.72 43.10 1fun s GLY 150 CO 0.15 -1.83 1.51 -0.42 0.00 0.00 0.00 173.10 172.51 1fun s ILE 151 N -3.00 3.49 0.31 0.90 1.01 -1.26 -0.97 121.20 121.67 1fun s ILE 151 Ca 0.28 0.86 0.08 0.00 0.00 0.00 0.00 60.65 61.87 1fun s ILE 151 Cb 0.03 -3.55 -0.03 0.00 0.01 0.00 0.00 42.46 38.91 1fun s ILE 151 CO 0.11 -0.01 0.23 0.00 0.00 0.00 0.00 174.94 175.26 1fun s ALA 152 N 2.68 3.68 -2.66 9.38 0.00 -0.61 -4.83 121.76 129.39 1fun s ALA 152 Ca 0.68 -1.62 0.27 0.00 0.00 0.00 0.00 51.96 51.28 1fun s ALA 152 Cb -0.34 -1.11 0.77 0.00 0.00 0.00 0.00 23.12 22.44 1fun s ALA 152 CO 0.28 0.09 1.59 0.94 0.00 0.00 0.00 175.76 178.66