#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 0.19 -3.62 0.00 -2.24 -1.26 -4.37 114.28 102.98 1fun n THR 2 Ca 0.00 -0.42 -0.12 0.00 -2.27 0.00 0.00 64.05 61.25 1fun n THR 2 Cb 0.00 1.16 -0.11 0.00 -2.10 0.00 0.00 70.33 69.27 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 -0.19 0.23 0.28 -0.78 1.02 -1.26 -0.84 119.74 118.20 1fun s LYS 3 Ca 0.00 0.80 0.05 0.00 0.02 0.00 0.00 55.97 56.84 1fun s LYS 3 Cb 0.00 -0.02 -0.06 0.00 -0.52 0.00 0.00 37.83 37.23 1fun s LYS 3 CO 0.00 -0.33 -0.02 0.00 -0.92 0.00 0.00 175.35 174.07 1fun s ALA 4 N 2.50 2.26 0.06 5.17 0.00 -0.40 -0.78 121.76 130.57 1fun s ALA 4 Ca 0.02 -1.91 -0.12 0.00 0.00 0.00 0.00 51.96 49.95 1fun s ALA 4 Cb -0.13 0.33 0.01 0.00 0.00 0.00 0.00 23.12 23.34 1fun s ALA 4 CO -0.11 -0.15 0.26 0.54 0.00 0.00 0.00 175.76 176.30 1fun s VAL 5 N -3.14 0.10 -0.12 0.00 0.11 -0.54 -0.55 120.40 116.27 1fun s VAL 5 Ca 0.31 -0.84 -0.07 0.00 -2.93 0.00 0.00 61.98 58.44 1fun s VAL 5 Cb 0.05 -1.06 0.05 0.00 -1.53 0.00 0.00 36.38 33.89 1fun s VAL 5 CO 0.12 -0.47 0.29 0.00 -3.33 0.00 0.00 175.10 171.71 1fun s ALA 6 N -3.02 -0.69 -0.40 1.54 0.00 0.16 -1.37 121.76 117.98 1fun s ALA 6 Ca -0.02 1.11 -0.10 0.00 0.00 0.00 0.00 51.96 52.95 1fun s ALA 6 Cb 0.01 -0.69 0.06 0.00 0.00 0.00 0.00 23.12 22.50 1fun s ALA 6 CO -0.06 -0.21 0.24 0.08 0.00 0.00 0.00 175.76 175.80 1fun s VAL 7 N 1.19 4.37 -0.13 0.00 1.01 -1.26 -0.92 120.40 124.67 1fun s VAL 7 Ca -0.08 -1.16 -0.29 0.00 0.00 0.00 0.00 61.98 60.44 1fun s VAL 7 Cb -0.09 -3.57 -0.01 0.00 0.00 0.00 0.00 36.38 32.71 1fun s VAL 7 CO -0.09 -0.39 1.03 -0.76 0.00 0.00 0.00 175.10 174.90 1fun s LEU 8 N 1.48 4.22 -0.01 3.92 1.43 0.21 -4.09 118.68 125.85 1fun s LEU 8 Ca 0.02 1.53 -0.06 0.00 -1.03 0.00 0.00 54.13 54.59 1fun s LEU 8 Cb -0.21 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.45 1fun s LEU 8 CO 0.04 -0.50 0.12 -0.54 0.23 0.00 0.00 176.35 175.69 1fun s LYS 9 N 2.28 0.40 0.00 1.70 3.01 -0.52 -0.75 119.74 125.85 1fun s LYS 9 Ca 0.48 -0.31 0.00 0.00 -1.01 0.00 0.00 55.97 55.14 1fun s LYS 9 Cb -0.18 0.16 0.00 0.00 -1.01 0.00 0.00 37.83 36.80 1fun s LYS 9 CO 0.16 -0.09 0.00 0.41 0.51 0.00 0.00 175.35 176.34 1fun n GLY 10 N 1.79 3.56 0.12 -3.33 0.00 -1.22 -1.60 105.19 104.50 1fun n GLY 10 Ca -0.21 -1.17 0.15 0.00 0.00 0.00 0.00 46.02 44.79 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 -0.81 0.44 0.00 1.61 8.00 -1.24 -4.88 116.55 119.67 1fun n ASP 11 Ca 0.00 -0.73 0.00 0.00 0.71 0.00 0.00 54.79 54.77 1fun n ASP 11 Cb 0.00 -0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.03 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 1.21 5.10 0.03 0.44 0.00 -1.26 -5.03 105.19 105.68 1fun n GLY 12 Ca 0.17 -1.71 0.12 0.00 0.00 0.00 0.00 46.02 44.61 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 -2.19 1.61 -0.04 -1.26 -4.85 135.00 128.33 1fun n PRO 13 Ca 0.00 0.11 -0.42 0.00 -0.04 0.00 0.00 63.50 63.15 1fun n PRO 13 Cb 0.00 -1.59 -0.03 0.00 -0.04 0.00 0.00 33.50 31.84 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 3.41 0.07 0.52 1.01 -1.26 -4.35 120.40 116.76 1fun s VAL 14 Ca 0.12 0.98 -0.26 0.00 0.00 0.00 0.00 61.98 62.81 1fun s VAL 14 Cb 0.15 -3.63 0.08 0.00 0.00 0.00 0.00 36.38 32.99 1fun s VAL 14 CO 0.49 0.06 0.69 0.00 0.00 0.00 0.00 175.10 176.34 1fun s GLN 15 N 1.36 1.12 0.00 2.72 -2.07 -0.95 -3.40 119.66 118.45 1fun s GLN 15 Ca 0.64 -0.26 0.00 0.00 -1.82 0.00 0.00 55.36 53.92 1fun s GLN 15 Cb -0.36 0.52 0.00 0.00 -1.09 0.00 0.00 33.01 32.08 1fun s GLN 15 CO 0.30 -0.46 0.00 0.41 -1.32 0.00 0.00 175.29 174.22 1fun n GLY 16 N -0.04 -0.06 2.93 2.60 0.00 0.07 -0.83 105.19 109.86 1fun n GLY 16 Ca -0.16 -0.97 -0.29 0.00 0.00 0.00 0.00 46.02 44.60 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 1.27 -0.12 -0.61 1.01 -1.18 0.67 121.20 120.24 1fun s ILE 17 Ca 0.00 -0.65 -0.03 0.00 0.00 0.00 0.00 60.65 59.97 1fun s ILE 17 Cb 0.00 -1.36 -0.03 0.00 0.01 0.00 0.00 42.46 41.08 1fun s ILE 17 CO 0.00 0.22 -0.02 -0.63 0.00 0.00 0.00 174.94 174.52 1fun s ILE 18 N 1.58 4.13 -0.04 2.92 -1.09 -0.10 -3.09 121.20 125.51 1fun s ILE 18 Ca 0.02 -0.29 0.01 0.00 -2.23 0.00 0.00 60.65 58.16 1fun s ILE 18 Cb -0.15 -2.77 -0.03 0.00 -1.58 0.00 0.00 42.46 37.93 1fun s ILE 18 CO -0.08 0.55 -0.05 0.20 -1.23 0.00 0.00 174.94 174.33 1fun s ASN 19 N -0.31 4.76 0.09 3.58 0.01 0.66 -0.66 114.94 123.07 1fun s ASN 19 Ca 0.06 -0.04 0.08 0.00 -0.71 0.00 0.00 52.86 52.25 1fun s ASN 19 Cb -0.12 -1.19 -0.03 0.00 0.41 0.00 0.00 41.25 40.31 1fun s ASN 19 CO 0.02 0.33 -0.22 -0.36 -1.51 0.00 0.00 177.10 175.36 1fun s PHE 20 N -0.92 1.88 -0.14 2.20 0.40 0.29 -1.67 117.98 120.02 1fun s PHE 20 Ca 0.15 -0.40 -0.08 0.00 -0.60 0.00 0.00 56.93 55.99 1fun s PHE 20 Cb -0.11 -1.05 0.05 0.00 0.51 0.00 0.00 43.02 42.42 1fun s PHE 20 CO 0.05 0.20 0.35 -2.00 0.70 0.00 0.00 175.22 174.51 1fun s GLU 21 N -1.75 0.33 -0.20 0.44 2.12 -0.46 -1.27 118.70 117.91 1fun s GLU 21 Ca 0.08 0.67 0.00 0.00 0.36 0.00 0.00 54.97 56.09 1fun s GLU 21 Cb -0.10 -0.04 0.05 0.00 0.26 0.00 0.00 34.13 34.30 1fun s GLU 21 CO 0.04 -0.15 -0.07 -1.14 -0.54 0.00 0.00 175.26 173.40 1fun s GLN 22 N 1.24 1.74 0.36 4.30 0.74 -0.02 -1.26 119.66 126.75 1fun s GLN 22 Ca -0.09 -0.80 0.19 0.00 0.05 0.00 0.00 55.36 54.72 1fun s GLN 22 Cb -0.09 -2.36 0.46 0.00 1.10 0.00 0.00 33.01 32.13 1fun s GLN 22 CO -0.10 -0.48 1.63 1.57 -0.55 0.00 0.00 175.29 177.35 1fun h LYS 23 N 8.01 0.00 -3.16 1.67 5.09 -1.82 -3.42 116.57 122.94 1fun h LYS 23 Ca -0.24 0.00 -0.18 0.00 0.09 0.00 0.00 60.65 60.32 1fun h LYS 23 Cb 1.09 0.00 -0.27 0.00 0.10 0.00 0.00 32.23 33.15 1fun h LYS 23 CO 0.44 0.36 -0.48 -1.21 -2.09 0.00 0.00 179.45 176.46 1fun s GLU 24 N -3.30 0.23 0.58 0.07 2.02 -1.26 -5.03 118.70 112.00 1fun s GLU 24 Ca 0.02 0.37 0.35 0.00 0.02 0.00 0.00 54.97 55.73 1fun s GLU 24 Cb 0.09 0.03 1.34 0.00 0.10 0.00 0.00 34.13 35.69 1fun s GLU 24 CO 0.69 -0.08 1.57 0.66 0.02 0.00 0.00 175.26 178.13 1fun h SER 25 N 6.31 0.00 -0.38 -0.19 4.64 -1.95 0.29 113.55 122.26 1fun h SER 25 Ca -0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 1fun h SER 25 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1fun h SER 25 CO 0.38 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 175.88 1fun n ASN 26 N -3.66 3.31 -5.00 4.97 6.94 -1.26 -4.90 115.26 115.65 1fun n ASN 26 Ca 0.26 -2.21 -0.20 0.00 -0.02 0.00 0.00 54.58 52.40 1fun n ASN 26 Cb 1.44 -0.33 0.04 0.00 -2.36 0.00 0.00 39.78 38.57 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 -1.16 1.89 0.69 4.83 0.00 0.10 -5.10 107.32 108.57 1fun s GLY 27 Ca 0.31 -1.92 -0.14 0.00 0.00 0.00 0.00 44.72 42.97 1fun s GLY 27 CO 0.17 -1.71 1.11 2.56 0.00 0.00 0.00 173.10 175.22 1fun s PRO 28 N -4.53 2.64 -0.36 2.90 0.04 -1.26 -4.89 135.00 129.53 1fun s PRO 28 Ca 0.55 1.33 -0.12 0.00 0.04 0.00 0.00 61.00 62.80 1fun s PRO 28 Cb -0.06 -1.93 0.01 0.00 0.04 0.00 0.00 34.50 32.56 1fun s PRO 28 CO 0.35 -1.36 0.22 0.08 0.04 0.00 0.00 177.00 176.32 1fun s VAL 29 N -2.50 4.87 -0.14 -0.36 1.01 0.10 -4.49 120.40 118.90 1fun s VAL 29 Ca 0.65 -0.58 -0.29 0.00 0.00 0.00 0.00 61.98 61.76 1fun s VAL 29 Cb -0.20 -3.61 -0.01 0.00 0.00 0.00 0.00 36.38 32.56 1fun s VAL 29 CO 0.46 -0.13 1.16 -0.75 0.00 0.00 0.00 175.10 175.84 1fun s LYS 30 N 1.63 4.30 -0.12 2.72 2.20 -0.39 -2.09 119.74 127.99 1fun s LYS 30 Ca 0.04 1.56 0.01 0.00 -0.36 0.00 0.00 55.97 57.22 1fun s LYS 30 Cb -0.18 -3.65 -0.01 0.00 -1.51 0.00 0.00 37.83 32.48 1fun s LYS 30 CO 0.08 -0.56 -0.16 0.08 -0.36 0.00 0.00 175.35 174.43 1fun s VAL 31 N 2.85 2.84 0.31 4.02 1.01 0.16 -1.36 120.40 130.23 1fun s VAL 31 Ca 0.52 -0.75 -0.17 0.00 0.00 0.00 0.00 61.98 61.58 1fun s VAL 31 Cb -0.21 -2.17 0.03 0.00 0.00 0.00 0.00 36.38 34.03 1fun s VAL 31 CO 0.15 0.54 0.69 -1.66 0.00 0.00 0.00 175.10 174.82 1fun s TRP 32 N 0.26 0.05 -5.00 5.22 -2.14 -0.67 -0.63 118.94 116.03 1fun s TRP 32 Ca -0.11 -0.55 0.00 0.00 2.66 0.00 0.00 56.10 58.10 1fun s TRP 32 Cb -0.16 0.63 0.00 0.00 -3.10 0.00 0.00 33.47 30.84 1fun s TRP 32 CO 0.06 -1.30 0.00 0.41 -2.66 0.00 0.00 176.95 173.46 1fun n GLY 33 N -0.48 0.63 3.46 3.67 0.00 -0.93 -0.25 105.19 111.30 1fun n GLY 33 Ca -0.05 -1.62 -0.15 0.00 0.00 0.00 0.00 46.02 44.20 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 -0.57 0.07 1.61 1.04 -1.18 -1.63 113.70 109.04 1fun s SER 34 Ca 0.00 0.93 0.09 0.00 0.48 0.00 0.00 55.95 57.45 1fun s SER 34 Cb 0.00 0.93 -0.03 0.00 0.10 0.00 0.00 66.02 67.02 1fun s SER 34 CO 0.00 -0.33 -0.24 -0.63 0.98 0.00 0.00 173.24 173.02 1fun s ILE 35 N -0.25 2.40 0.29 -1.02 1.01 -0.41 -3.10 121.20 120.12 1fun s ILE 35 Ca -0.04 -1.41 0.08 0.00 0.00 0.00 0.00 60.65 59.27 1fun s ILE 35 Cb -0.03 -2.00 -0.06 0.00 0.01 0.00 0.00 42.46 40.38 1fun s ILE 35 CO 0.03 0.28 -0.09 -0.54 0.00 0.00 0.00 174.94 174.63 1fun s LYS 36 N -1.53 1.60 -0.09 2.79 1.02 -0.01 -0.62 119.74 122.90 1fun s LYS 36 Ca 0.13 -1.80 0.00 0.00 0.02 0.00 0.00 55.97 54.33 1fun s LYS 36 Cb -0.10 -1.33 0.00 0.00 -0.52 0.00 0.00 37.83 35.88 1fun s LYS 36 CO 0.04 0.10 0.00 0.41 -0.92 0.00 0.00 175.35 174.99 1fun n GLY 37 N -0.61 0.44 3.87 -3.33 0.00 -1.16 -2.23 105.19 102.17 1fun n GLY 37 Ca -0.06 -1.05 -0.35 0.00 0.00 0.00 0.00 46.02 44.56 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 -0.19 4.30 0.22 0.99 1.43 -0.58 -4.25 118.68 120.60 1fun s LEU 38 Ca 0.00 0.38 -0.30 0.00 -1.03 0.00 0.00 54.13 53.18 1fun s LEU 38 Cb 0.00 -2.27 -0.09 0.00 0.03 0.00 0.00 46.19 43.86 1fun s LEU 38 CO 0.00 0.34 1.26 0.42 0.23 0.00 0.00 176.35 178.60 1fun s THR 39 N -1.14 3.24 0.18 5.49 -4.23 -1.26 -4.02 115.64 113.90 1fun s THR 39 Ca 0.20 1.08 -0.32 0.00 -1.18 0.00 0.00 61.69 61.47 1fun s THR 39 Cb -0.12 -3.69 -0.16 0.00 1.34 0.00 0.00 72.50 69.87 1fun s THR 39 CO 0.10 0.19 1.04 1.21 -0.54 0.00 0.00 174.62 176.62 1fun n GLU 40 N 2.18 0.95 0.00 3.99 2.13 -1.25 -4.73 120.64 123.91 1fun n GLU 40 Ca 0.04 0.34 0.00 0.00 0.66 0.00 0.00 57.16 58.20 1fun n GLU 40 Cb 0.43 -1.75 0.00 0.00 0.27 0.00 0.00 31.44 30.40 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 1.84 0.75 3.84 8.31 0.00 -0.29 -4.93 105.19 114.72 1fun n GLY 41 Ca 0.15 -2.06 -0.33 0.00 0.00 0.00 0.00 46.02 43.78 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 4.10 -0.06 0.99 1.43 -1.26 -0.10 118.68 123.78 1fun s LEU 42 Ca 0.00 1.29 -0.03 0.00 -1.03 0.00 0.00 54.13 54.37 1fun s LEU 42 Cb 0.00 -4.01 0.04 0.00 0.03 0.00 0.00 46.19 42.25 1fun s LEU 42 CO 0.00 -0.17 0.14 -1.00 0.23 0.00 0.00 176.35 175.54 1fun s HIS 43 N -1.92 -0.15 0.56 0.29 3.76 0.09 -3.19 115.29 114.72 1fun s HIS 43 Ca 0.53 0.45 -0.21 0.00 -0.15 0.00 0.00 55.06 55.68 1fun s HIS 43 Cb -0.11 -0.09 -0.05 0.00 1.11 0.00 0.00 32.58 33.43 1fun s HIS 43 CO 0.18 -0.16 1.14 0.41 -0.85 0.00 0.00 174.74 175.46 1fun n GLY 44 N 4.16 0.16 2.60 -2.22 0.00 -0.71 -0.38 105.19 108.81 1fun n GLY 44 Ca -0.26 -0.04 -0.26 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.38 0.18 0.11 1.61 5.36 -0.50 -1.34 117.98 122.03 1fun s PHE 45 Ca 0.73 -0.40 0.02 0.00 -0.96 0.00 0.00 56.93 56.31 1fun s PHE 45 Cb -0.44 -0.71 -0.04 0.00 -0.34 0.00 0.00 43.02 41.49 1fun s PHE 45 CO 0.49 -0.59 -0.06 -1.01 -1.46 0.00 0.00 175.22 172.59 1fun s HIS 46 N 2.14 0.96 -0.39 10.12 3.76 -0.57 -2.01 115.29 129.31 1fun s HIS 46 Ca 0.04 -0.93 -0.07 0.00 -0.15 0.00 0.00 55.06 53.96 1fun s HIS 46 Cb -0.16 -0.55 0.07 0.00 1.11 0.00 0.00 32.58 33.05 1fun s HIS 46 CO -0.16 -0.15 0.19 0.08 -0.85 0.00 0.00 174.74 173.86 1fun s VAL 47 N -3.62 3.83 0.94 -0.90 1.01 0.70 0.22 120.40 122.58 1fun s VAL 47 Ca 0.14 -1.47 -0.15 0.00 0.00 0.00 0.00 61.98 60.51 1fun s VAL 47 Cb 0.05 -3.35 0.17 0.00 0.00 0.00 0.00 36.38 33.26 1fun s VAL 47 CO -0.03 -0.43 1.23 -1.00 0.00 0.00 0.00 175.10 174.87 1fun s HIS 48 N 1.35 1.96 0.00 5.22 3.76 0.96 -2.21 115.29 126.34 1fun s HIS 48 Ca 0.02 0.54 -0.21 0.00 -0.15 0.00 0.00 55.06 55.26 1fun s HIS 48 Cb -0.22 -3.77 -0.20 0.00 1.11 0.00 0.00 32.58 29.51 1fun s HIS 48 CO 0.01 -2.53 1.17 1.49 -0.85 0.00 0.00 174.74 174.03 1fun h GLU 49 N -1.58 0.34 -6.18 1.40 4.81 -0.60 -3.27 114.58 109.50 1fun h GLU 49 Ca -0.46 -0.29 -0.65 0.00 -0.13 0.00 0.00 59.36 57.84 1fun h GLU 49 Cb 1.28 0.06 -0.10 0.00 0.63 0.00 0.00 28.75 30.62 1fun h GLU 49 CO 0.49 0.94 -0.61 -0.06 -0.73 0.00 0.00 179.01 179.03 1fun s PHE 50 N -3.57 3.16 -0.70 0.92 0.08 -0.25 -4.75 117.98 112.87 1fun s PHE 50 Ca -0.14 0.08 -0.02 0.00 0.12 0.00 0.00 56.93 56.97 1fun s PHE 50 Cb 0.04 -1.63 0.35 0.00 -0.57 0.00 0.00 43.02 41.21 1fun s PHE 50 CO 0.78 0.51 2.10 0.41 -0.10 0.00 0.00 175.22 178.92 1fun n GLY 51 N 0.71 5.45 3.32 4.36 0.00 -1.15 -3.62 105.19 114.26 1fun n GLY 51 Ca -0.10 -2.25 -0.42 0.00 0.00 0.00 0.00 46.02 43.25 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 -1.16 5.81 -0.35 1.61 -1.08 -1.26 -4.92 116.67 115.32 1fun s ASP 52 Ca 0.56 -1.40 0.07 0.00 -0.52 0.00 0.00 52.55 51.26 1fun s ASP 52 Cb 0.45 -2.05 0.54 0.00 -1.46 0.00 0.00 42.92 40.40 1fun s ASP 52 CO -0.20 -0.56 1.59 0.59 0.52 0.00 0.00 175.17 177.11 1fun n ASN 53 N 5.02 3.14 0.14 -0.34 5.03 -1.26 -3.01 115.26 123.97 1fun n ASN 53 Ca -0.11 -3.75 0.03 0.00 0.87 0.00 0.00 54.58 51.61 1fun n ASN 53 Cb 0.43 -0.69 0.40 0.00 -1.02 0.00 0.00 39.78 38.90 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 1.05 1.18 -0.86 3.41 1.35 -1.94 -2.78 112.91 114.32 1fun h THR 54 Ca 0.35 -0.81 -0.57 0.00 -0.55 0.00 0.00 66.41 64.83 1fun h THR 54 Cb 1.91 1.28 -0.41 0.00 -1.73 0.00 0.00 68.15 69.20 1fun h THR 54 CO 0.65 0.25 -0.58 0.00 -0.25 0.00 0.00 175.52 175.58 1fun n ALA 55 N -2.49 5.20 -0.36 6.62 0.00 -1.26 -5.06 120.51 123.15 1fun n ALA 55 Ca -0.01 -3.80 0.00 0.00 0.00 0.00 0.00 53.44 49.63 1fun n ALA 55 Cb 0.28 -0.54 0.00 0.00 0.00 0.00 0.00 19.45 19.19 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 -0.71 -1.37 0.30 0.00 0.00 -1.05 -3.58 105.19 98.77 1fun n GLY 56 Ca 0.46 -1.23 0.20 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 0.86 0.00 0.00 2.02 -1.90 -1.92 112.91 111.97 1fun h THR 58 Ca 0.00 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 66.98 1fun h THR 58 Cb 0.01 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 66.64 1fun h THR 58 CO 0.00 0.11 0.00 -1.54 0.37 0.00 0.00 175.52 174.46 1fun n SER 59 N -4.87 0.00 0.00 4.18 3.41 -0.96 -3.34 113.62 112.05 1fun n SER 59 Ca 0.10 0.12 0.04 0.00 -0.26 0.00 0.00 58.87 58.87 1fun n SER 59 Cb 0.26 -0.31 0.17 0.00 -0.26 0.00 0.00 64.21 64.06 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 -1.31 1.39 -0.29 7.33 0.00 -0.72 -4.49 120.51 122.41 1fun n ALA 60 Ca 0.07 -0.03 0.01 0.00 0.00 0.00 0.00 53.44 53.50 1fun n ALA 60 Cb 0.13 -1.12 -0.00 0.00 0.00 0.00 0.00 19.45 18.46 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 -0.72 -1.90 0.45 0.00 0.00 -1.21 -1.09 105.19 100.71 1fun n GLY 61 Ca 0.02 -1.35 -0.04 0.00 0.00 0.00 0.00 46.02 44.66 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 -0.88 -0.60 -2.36 1.61 -0.04 -1.26 -4.48 135.00 126.99 1fun n PRO 62 Ca 0.00 -0.23 -0.38 0.00 -0.04 0.00 0.00 63.50 62.84 1fun n PRO 62 Cb 0.05 -0.18 -0.03 0.00 -0.04 0.00 0.00 33.50 33.30 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 -1.30 3.18 -0.06 0.54 3.76 -1.26 -0.77 115.29 119.38 1fun s HIS 63 Ca 0.09 1.59 -0.30 0.00 -0.15 0.00 0.00 55.06 56.28 1fun s HIS 63 Cb -0.00 -3.35 -0.08 0.00 1.11 0.00 0.00 32.58 30.26 1fun s HIS 63 CO 0.06 -1.11 2.05 0.34 -0.85 0.00 0.00 174.74 175.24 1fun n PHE 64 N 0.28 2.31 -3.21 1.40 7.35 -0.94 -4.51 117.46 120.14 1fun n PHE 64 Ca 0.03 -0.26 -0.23 0.00 -0.76 0.00 0.00 57.45 56.23 1fun n PHE 64 Cb 0.46 -2.76 -0.07 0.00 0.35 0.00 0.00 39.48 37.46 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 8.77 -0.33 0.12 -2.13 5.15 -1.26 -2.67 115.26 122.91 1fun n ASN 65 Ca 0.24 -2.64 0.03 0.00 -0.60 0.00 0.00 54.58 51.61 1fun n ASN 65 Cb 0.40 -0.39 0.41 0.00 -0.53 0.00 0.00 39.78 39.67 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 4.53 0.23 -0.01 1.20 0.13 -1.95 -2.45 132.00 133.67 1fun h PRO 66 Ca 0.12 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 1fun h PRO 66 Cb 0.91 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.00 1fun h PRO 66 CO 0.41 0.35 -0.03 1.28 -0.23 0.00 0.00 178.00 179.78 1fun n LEU 67 N -4.30 1.53 -3.74 1.56 4.77 -1.26 -4.98 117.00 110.58 1fun n LEU 67 Ca -0.01 -0.50 -0.27 0.00 -0.03 0.00 0.00 56.01 55.20 1fun n LEU 67 Cb 0.24 -0.01 0.03 0.00 -2.33 0.00 0.00 43.42 41.35 1fun n LEU 67 CO 0.37 0.26 -0.11 -1.20 -1.33 0.00 0.00 177.39 175.38 1fun n SER 68 N 0.15 -3.09 -0.56 -1.43 7.64 -0.92 -5.02 113.62 110.39 1fun n SER 68 Ca 0.18 -0.96 0.00 0.00 1.01 0.00 0.00 58.87 59.10 1fun n SER 68 Cb 0.37 -3.53 0.00 0.00 -1.01 0.00 0.00 64.21 60.04 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 -4.22 2.45 -4.31 1.43 1.74 -1.26 -5.13 116.66 107.35 1fun n ARG 69 Ca -0.20 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 56.65 1fun n ARG 69 Cb 0.64 0.00 -0.08 0.00 -1.02 0.00 0.00 32.46 32.00 1fun n ARG 69 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1fun s LYS 70 N 1.59 2.19 0.68 5.56 1.02 -1.26 -4.88 119.74 124.65 1fun s LYS 70 Ca 0.00 -1.44 -0.17 0.00 0.02 0.00 0.00 55.97 54.39 1fun s LYS 70 Cb 0.00 -2.12 -0.02 0.00 -0.52 0.00 0.00 37.83 35.17 1fun s LYS 70 CO 0.00 0.37 0.89 1.58 -0.92 0.00 0.00 175.35 177.27 1fun n HIS 71 N -0.74 0.48 -3.63 3.18 -0.00 -0.57 -1.84 115.22 112.10 1fun n HIS 71 Ca -0.07 0.40 -0.00 0.00 -0.00 0.00 0.00 57.72 58.05 1fun n HIS 71 Cb 0.59 -2.07 0.00 0.00 -0.00 0.00 0.00 29.99 28.51 1fun n HIS 71 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1fun n GLY 72 N 1.25 0.98 3.94 1.57 0.00 -1.24 -4.53 105.19 107.16 1fun n GLY 72 Ca 0.13 -0.94 -0.24 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.40 1.61 0.49 -0.02 0.00 -1.26 -4.78 107.32 100.96 1fun s GLY 73 Ca 0.05 -0.95 0.22 0.00 0.00 0.00 0.00 44.72 44.05 1fun s GLY 73 CO 0.01 -0.71 2.03 -0.56 0.00 0.00 0.00 173.10 173.86 1fun h PRO 74 N 0.11 0.00 0.00 2.90 0.13 -1.88 -2.78 132.00 130.48 1fun h PRO 74 Ca -0.45 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.64 1fun h PRO 74 Cb 1.26 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 1fun h PRO 74 CO 0.58 0.16 -0.20 0.87 -0.23 0.00 0.00 178.00 179.18 1fun h LYS 75 N 0.00 0.00 -7.58 0.86 1.57 -1.93 -3.46 116.57 106.03 1fun h LYS 75 Ca -0.00 0.00 -0.42 0.00 -1.87 0.00 0.00 60.65 58.35 1fun h LYS 75 Cb 0.35 0.00 0.18 0.00 0.08 0.00 0.00 32.23 32.85 1fun h LYS 75 CO 0.02 0.20 0.25 -0.51 -0.57 0.00 0.00 179.45 178.84 1fun s ASP 76 N -6.18 1.67 -0.17 0.86 1.01 -1.05 -5.00 116.67 107.81 1fun s ASP 76 Ca 0.03 0.43 0.08 0.00 0.71 0.00 0.00 52.55 53.80 1fun s ASP 76 Cb 0.08 -0.55 -0.15 0.00 1.01 0.00 0.00 42.92 43.30 1fun s ASP 76 CO 0.65 -3.64 -0.05 -0.62 0.21 0.00 0.00 175.17 171.72 1fun n GLU 77 N -4.41 1.08 -3.00 8.23 -0.58 -1.26 -4.74 120.64 115.96 1fun n GLU 77 Ca 0.15 0.05 -0.44 0.00 -0.42 0.00 0.00 57.16 56.49 1fun n GLU 77 Cb 0.60 -1.38 -0.04 0.00 -0.57 0.00 0.00 31.44 30.05 1fun n GLU 77 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 1fun s GLU 78 N -2.37 3.18 -0.09 3.49 2.56 -1.26 -4.93 118.70 119.29 1fun s GLU 78 Ca -0.16 -1.26 -0.30 0.00 0.00 0.00 0.00 54.97 53.26 1fun s GLU 78 Cb 0.05 -4.36 0.12 0.00 2.00 0.00 0.00 34.13 31.94 1fun s GLU 78 CO 0.53 -1.67 0.97 -0.98 -0.56 0.00 0.00 175.26 173.54 1fun s ARG 79 N 3.10 0.67 0.50 4.30 1.04 -0.77 -3.72 118.95 124.07 1fun s ARG 79 Ca 0.19 -0.11 -0.18 0.00 -1.04 0.00 0.00 55.73 54.58 1fun s ARG 79 Cb -0.18 0.31 -0.08 0.00 -2.04 0.00 0.00 34.95 32.96 1fun s ARG 79 CO 0.05 -0.27 1.00 -1.01 -0.04 0.00 0.00 175.30 175.03 1fun s HIS 80 N -2.29 3.24 0.44 5.89 3.76 -1.23 -4.67 115.29 120.43 1fun s HIS 80 Ca 0.03 1.54 0.10 0.00 -0.15 0.00 0.00 55.06 56.58 1fun s HIS 80 Cb -0.01 -2.90 0.97 0.00 1.11 0.00 0.00 32.58 31.75 1fun s HIS 80 CO -0.05 -0.52 2.07 0.28 -0.85 0.00 0.00 174.74 175.67 1fun h VAL 81 N 1.25 1.08 -0.26 -0.90 2.07 -1.93 -1.71 116.25 115.84 1fun h VAL 81 Ca -0.48 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 66.82 1fun h VAL 81 Cb 1.20 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 31.72 1fun h VAL 81 CO 0.60 0.09 0.00 0.61 0.02 0.00 0.00 177.57 178.89 1fun n GLY 82 N -1.41 2.09 3.36 2.17 0.00 -1.09 -4.38 105.19 105.94 1fun n GLY 82 Ca 0.01 -0.42 -0.46 0.00 0.00 0.00 0.00 46.02 45.15 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 -0.39 6.65 0.00 1.61 1.01 -0.65 -0.22 116.67 124.70 1fun s ASP 83 Ca 0.25 -2.38 0.16 0.00 0.71 0.00 0.00 52.55 51.29 1fun s ASP 83 Cb 0.19 -2.27 0.53 0.00 1.01 0.00 0.00 42.92 42.38 1fun s ASP 83 CO 0.08 -0.76 1.41 0.18 0.21 0.00 0.00 175.17 176.28 1fun n LEU 84 N 4.89 1.79 0.00 1.23 4.77 -0.85 -3.92 117.00 124.90 1fun n LEU 84 Ca 0.13 -0.83 0.00 0.00 -0.03 0.00 0.00 56.01 55.29 1fun n LEU 84 Cb 0.47 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 1fun n LEU 84 CO 0.41 0.41 0.00 0.61 -1.33 0.00 0.00 177.39 177.49 1fun n GLY 85 N 1.10 1.83 2.97 -0.72 0.00 -1.14 -4.82 105.19 104.41 1fun n GLY 85 Ca 0.14 -0.67 -0.11 0.00 0.00 0.00 0.00 46.02 45.39 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 0.32 0.24 1.61 0.01 -1.26 -1.41 114.94 110.45 1fun s ASN 86 Ca 0.00 -0.37 0.10 0.00 -0.71 0.00 0.00 52.86 51.88 1fun s ASN 86 Cb 0.00 0.05 -0.04 0.00 0.41 0.00 0.00 41.25 41.67 1fun s ASN 86 CO 0.00 -0.19 -0.05 0.68 -1.51 0.00 0.00 177.10 176.03 1fun s VAL 87 N -1.03 3.30 -0.23 1.60 -7.23 0.49 -4.89 120.40 112.42 1fun s VAL 87 Ca -0.10 -1.88 0.00 0.00 -1.81 0.00 0.00 61.98 58.19 1fun s VAL 87 Cb -0.07 -2.73 0.03 0.00 0.56 0.00 0.00 36.38 34.17 1fun s VAL 87 CO -0.00 -0.30 -0.11 -0.89 -0.31 0.00 0.00 175.10 173.48 1fun s THR 88 N -2.16 2.51 0.06 5.32 2.01 -1.26 -0.73 115.64 121.38 1fun s THR 88 Ca 0.29 -1.11 -0.24 0.00 0.31 0.00 0.00 61.69 60.95 1fun s THR 88 Cb -0.07 -2.25 -0.06 0.00 0.01 0.00 0.00 72.50 70.13 1fun s THR 88 CO 0.18 0.26 0.72 0.00 -0.69 0.00 0.00 174.62 175.10 1fun s ALA 89 N 1.27 3.42 0.62 7.40 0.00 0.86 -4.30 121.76 131.02 1fun s ALA 89 Ca -0.00 0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.19 1fun s ALA 89 Cb -0.16 -2.92 0.00 0.00 0.00 0.00 0.00 23.12 20.04 1fun s ALA 89 CO -0.07 0.15 0.00 -0.40 0.00 0.00 0.00 175.76 175.44 1fun n ASP 90 N 2.50 0.00 0.17 0.00 5.68 -0.68 -1.13 116.55 123.08 1fun n ASP 90 Ca -0.04 -0.87 0.03 0.00 -0.50 0.00 0.00 54.79 53.41 1fun n ASP 90 Cb 0.50 0.00 0.42 0.00 -1.14 0.00 0.00 41.12 40.90 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 0.11 -0.01 0.11 1.57 -1.96 -0.52 116.57 115.87 1fun h LYS 91 Ca 0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1fun h LYS 91 Cb 0.00 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.30 1fun h LYS 91 CO 0.00 0.31 -0.01 -0.25 -0.57 0.00 0.00 179.45 178.93 1fun n ASP 92 N -4.26 0.69 -0.02 0.86 8.00 -1.26 -4.84 116.55 115.72 1fun n ASP 92 Ca -0.02 -1.20 -0.00 0.00 0.71 0.00 0.00 54.79 54.28 1fun n ASP 92 Cb 0.29 -0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.38 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 1.09 0.46 3.78 0.44 0.00 -0.20 -4.75 105.19 106.01 1fun n GLY 93 Ca 0.21 -0.54 -0.36 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.00 5.40 -0.37 1.61 1.01 -1.26 -1.53 120.40 123.25 1fun s VAL 94 Ca 0.00 0.18 -0.02 0.00 0.00 0.00 0.00 61.98 62.14 1fun s VAL 94 Cb 0.00 -3.42 0.09 0.00 0.00 0.00 0.00 36.38 33.06 1fun s VAL 94 CO 0.00 0.51 0.14 0.00 0.00 0.00 0.00 175.10 175.75 1fun s ALA 95 N -0.18 3.05 -1.14 5.51 0.00 0.21 -1.69 121.76 127.53 1fun s ALA 95 Ca 0.10 -2.35 -0.18 0.00 0.00 0.00 0.00 51.96 49.53 1fun s ALA 95 Cb -0.11 -2.25 0.10 0.00 0.00 0.00 0.00 23.12 20.86 1fun s ALA 95 CO 0.00 -1.66 1.48 -0.51 0.00 0.00 0.00 175.76 175.07 1fun s ASP 96 N 1.57 6.77 0.36 0.00 1.01 -1.26 -1.28 116.67 123.83 1fun s ASP 96 Ca 0.05 -2.24 -0.28 0.00 0.71 0.00 0.00 52.55 50.80 1fun s ASP 96 Cb -0.22 -2.50 -0.10 0.00 1.01 0.00 0.00 42.92 41.11 1fun s ASP 96 CO -0.04 -1.14 1.38 -0.69 0.21 0.00 0.00 175.17 174.89 1fun s VAL 97 N 3.53 2.43 -0.31 -1.27 1.01 -0.65 -4.90 120.40 120.24 1fun s VAL 97 Ca 0.45 0.42 0.05 0.00 0.00 0.00 0.00 61.98 62.91 1fun s VAL 97 Cb -0.00 -3.27 0.18 0.00 0.00 0.00 0.00 36.38 33.29 1fun s VAL 97 CO -0.02 0.10 0.53 -0.55 0.00 0.00 0.00 175.10 175.16 1fun s SER 98 N -0.39 -0.89 0.02 3.32 0.15 -1.26 -2.19 113.70 112.46 1fun s SER 98 Ca 0.52 -0.16 0.05 0.00 0.70 0.00 0.00 55.95 57.06 1fun s SER 98 Cb -0.42 1.69 -0.02 0.00 -1.71 0.00 0.00 66.02 65.56 1fun s SER 98 CO 0.57 -0.30 -0.16 -0.63 1.20 0.00 0.00 173.24 173.92 1fun s ILE 99 N 2.58 1.24 -0.12 6.45 1.01 0.20 -5.00 121.20 127.56 1fun s ILE 99 Ca 0.11 -0.87 0.03 0.00 0.00 0.00 0.00 60.65 59.92 1fun s ILE 99 Cb -0.10 -1.08 0.01 0.00 0.01 0.00 0.00 42.46 41.30 1fun s ILE 99 CO -0.24 0.19 -0.22 -0.70 0.00 0.00 0.00 174.94 173.97 1fun s GLU 100 N -0.78 2.92 0.03 2.79 2.12 -1.26 0.38 118.70 124.89 1fun s GLU 100 Ca 0.05 -0.83 0.02 0.00 0.36 0.00 0.00 54.97 54.57 1fun s GLU 100 Cb -0.07 -2.30 -0.02 0.00 0.26 0.00 0.00 34.13 32.00 1fun s GLU 100 CO 0.00 0.06 -0.07 0.34 -0.54 0.00 0.00 175.26 175.05 1fun s ASP 101 N 0.63 0.81 0.00 -1.70 2.15 -0.89 -4.95 116.67 112.72 1fun s ASP 101 Ca -0.12 -0.41 0.08 0.00 0.43 0.00 0.00 52.55 52.53 1fun s ASP 101 Cb -0.16 0.00 0.15 0.00 -0.30 0.00 0.00 42.92 42.61 1fun s ASP 101 CO 0.03 -0.12 0.98 -1.20 -0.17 0.00 0.00 175.17 174.69 1fun n SER 102 N 1.93 2.21 -0.11 -0.34 7.64 -1.26 0.02 113.62 123.70 1fun n SER 102 Ca -0.20 -1.68 -0.14 0.00 1.01 0.00 0.00 58.87 57.87 1fun n SER 102 Cb 0.56 -0.09 -0.13 0.00 -1.01 0.00 0.00 64.21 63.54 1fun n SER 102 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1fun n VAL 103 N 0.38 1.35 -1.77 0.44 0.31 -1.26 -4.90 118.33 112.88 1fun n VAL 103 Ca 0.07 -0.63 -0.30 0.00 -0.01 0.00 0.00 64.34 63.47 1fun n VAL 103 Cb 0.30 -1.03 0.08 0.00 -0.91 0.00 0.00 33.84 32.28 1fun n VAL 103 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 1fun s ILE 104 N -2.47 2.81 0.18 2.52 -4.36 -1.26 -4.86 121.20 113.75 1fun s ILE 104 Ca -0.24 0.26 -0.19 0.00 -0.26 0.00 0.00 60.65 60.22 1fun s ILE 104 Cb 0.07 -3.17 0.04 0.00 1.25 0.00 0.00 42.46 40.65 1fun s ILE 104 CO 0.64 -0.34 0.55 -0.55 0.24 0.00 0.00 174.94 175.47 1fun s SER 105 N -4.27 -0.35 -0.03 4.36 0.15 -0.65 -4.67 113.70 108.24 1fun s SER 105 Ca 0.60 -0.33 0.18 0.00 0.70 0.00 0.00 55.95 57.11 1fun s SER 105 Cb -0.12 0.58 0.57 0.00 -1.71 0.00 0.00 66.02 65.34 1fun s SER 105 CO 0.52 -1.03 1.48 0.18 1.20 0.00 0.00 173.24 175.59 1fun n LEU 106 N -0.35 3.87 -3.60 3.45 4.77 -1.26 -1.51 117.00 122.37 1fun n LEU 106 Ca -0.12 -2.15 -0.16 0.00 -0.03 0.00 0.00 56.01 53.54 1fun n LEU 106 Cb 0.63 -0.44 -0.07 0.00 -2.33 0.00 0.00 43.42 41.21 1fun n LEU 106 CO 0.15 0.87 0.32 -0.44 -1.33 0.00 0.00 177.39 176.96 1fun s SER 107 N -1.03 -0.54 0.00 -1.43 0.01 -1.26 0.32 113.70 109.76 1fun s SER 107 Ca 0.42 0.64 0.00 0.00 1.31 0.00 0.00 55.95 58.32 1fun s SER 107 Cb 0.24 0.58 0.00 0.00 0.21 0.00 0.00 66.02 67.05 1fun s SER 107 CO 0.25 -0.52 0.00 0.61 0.41 0.00 0.00 173.24 174.00 1fun n GLY 108 N 1.24 0.15 0.18 3.44 0.00 -1.26 -4.37 105.19 104.58 1fun n GLY 108 Ca -0.19 -1.66 -0.14 0.00 0.00 0.00 0.00 46.02 44.03 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 1.39 0.67 -1.48 1.61 5.19 -2.01 -3.25 116.42 118.55 1fun h ASP 109 Ca 0.00 -0.48 -0.68 0.00 -0.62 0.00 0.00 57.03 55.25 1fun h ASP 109 Cb 0.00 -0.20 -0.32 0.00 0.18 0.00 0.00 39.33 38.99 1fun h ASP 109 CO 0.00 1.26 0.45 1.41 -3.12 0.00 0.00 179.24 179.24 1fun n HIS 110 N -3.83 3.10 -2.73 4.55 8.25 -1.26 -5.00 115.22 118.30 1fun n HIS 110 Ca -0.07 -2.66 -0.42 0.00 -0.26 0.00 0.00 57.72 54.32 1fun n HIS 110 Cb 0.78 -0.96 -0.03 0.00 1.12 0.00 0.00 29.99 30.91 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 -2.05 7.22 0.00 0.41 0.15 -1.23 -1.63 113.70 116.57 1fun s SER 111 Ca 0.55 1.50 0.26 0.00 0.70 0.00 0.00 55.95 58.96 1fun s SER 111 Cb 0.45 -2.54 0.78 0.00 -1.71 0.00 0.00 66.02 63.00 1fun s SER 111 CO -0.21 -0.39 1.60 2.30 1.20 0.00 0.00 173.24 177.74 1fun n ILE 112 N 4.40 0.00 -1.91 6.45 -5.35 -0.57 -4.89 119.36 117.50 1fun n ILE 112 Ca 0.07 -0.03 -0.42 0.00 -0.27 0.00 0.00 62.75 62.10 1fun n ILE 112 Cb 0.49 0.11 -0.03 0.00 -1.74 0.00 0.00 39.64 38.47 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 -2.82 2.78 0.00 7.28 1.01 -1.26 -1.81 121.20 126.38 1fun s ILE 113 Ca 0.17 0.42 0.00 0.00 0.00 0.00 0.00 60.65 61.24 1fun s ILE 113 Cb 0.18 -3.27 0.00 0.00 0.01 0.00 0.00 42.46 39.39 1fun s ILE 113 CO 0.60 0.02 0.00 0.61 0.00 0.00 0.00 174.94 176.17 1fun n GLY 114 N 3.90 0.76 0.71 6.18 0.00 0.55 -5.01 105.19 112.28 1fun n GLY 114 Ca 0.15 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.24 1.26 -4.58 1.61 5.12 -0.75 -2.92 116.66 114.17 1fun n ARG 115 Ca 0.00 -0.62 -0.33 0.00 -1.93 0.00 0.00 57.85 54.97 1fun n ARG 115 Cb 0.00 0.05 -0.16 0.00 -1.16 0.00 0.00 32.46 31.19 1fun n ARG 115 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1fun s THR 116 N -0.33 2.47 0.02 0.55 2.01 -1.23 0.53 115.64 119.66 1fun s THR 116 Ca 0.07 -0.84 -0.20 0.00 0.31 0.00 0.00 61.69 61.03 1fun s THR 116 Cb -0.01 -2.03 -0.06 0.00 0.01 0.00 0.00 72.50 70.42 1fun s THR 116 CO 0.04 0.53 0.59 -0.22 -0.69 0.00 0.00 174.62 174.87 1fun s LEU 117 N 0.81 4.45 0.01 4.42 2.96 -0.66 -0.02 118.68 130.65 1fun s LEU 117 Ca -0.06 1.20 0.03 0.00 -0.22 0.00 0.00 54.13 55.09 1fun s LEU 117 Cb -0.15 -2.93 -0.01 0.00 0.50 0.00 0.00 46.19 43.60 1fun s LEU 117 CO -0.00 0.15 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.39 1fun s VAL 118 N -0.48 0.80 -0.14 1.68 1.01 0.13 -1.91 120.40 121.49 1fun s VAL 118 Ca 0.31 -0.58 0.01 0.00 0.00 0.00 0.00 61.98 61.71 1fun s VAL 118 Cb -0.19 -0.70 -0.00 0.00 0.00 0.00 0.00 36.38 35.50 1fun s VAL 118 CO 0.18 0.11 -0.17 0.54 0.00 0.00 0.00 175.10 175.76 1fun s VAL 119 N -0.45 2.52 0.63 2.92 0.11 -0.79 -1.51 120.40 123.83 1fun s VAL 119 Ca 0.02 -0.83 -0.03 0.00 -2.93 0.00 0.00 61.98 58.22 1fun s VAL 119 Cb -0.05 -2.04 0.05 0.00 -1.53 0.00 0.00 36.38 32.81 1fun s VAL 119 CO 0.00 0.53 0.90 -1.00 -3.33 0.00 0.00 175.10 172.20 1fun s HIS 120 N 0.74 2.83 0.11 1.54 3.76 -0.45 -1.36 115.29 122.46 1fun s HIS 120 Ca -0.07 0.20 -0.00 0.00 -0.15 0.00 0.00 55.06 55.04 1fun s HIS 120 Cb -0.16 -2.99 -0.18 0.00 1.11 0.00 0.00 32.58 30.37 1fun s HIS 120 CO 0.01 -1.18 1.25 1.49 -0.85 0.00 0.00 174.74 175.46 1fun h GLU 121 N -0.29 0.20 -5.52 1.40 4.81 -0.65 -3.39 114.58 111.15 1fun h GLU 121 Ca -0.43 -0.29 -0.63 0.00 -0.13 0.00 0.00 59.36 57.88 1fun h GLU 121 Cb 1.30 0.10 -0.13 0.00 0.63 0.00 0.00 28.75 30.66 1fun h GLU 121 CO 0.56 1.09 -0.58 0.15 -0.73 0.00 0.00 179.01 179.50 1fun s LYS 122 N -2.86 1.99 0.71 1.92 1.02 0.19 -4.94 119.74 117.77 1fun s LYS 122 Ca -0.03 -2.17 -0.13 0.00 0.02 0.00 0.00 55.97 53.67 1fun s LYS 122 Cb 0.09 -1.55 0.03 0.00 -0.52 0.00 0.00 37.83 35.87 1fun s LYS 122 CO 0.85 -0.14 1.10 0.00 -0.92 0.00 0.00 175.35 176.25 1fun s ALA 123 N -2.79 2.38 -0.18 5.17 0.00 -1.19 -1.73 121.76 123.41 1fun s ALA 123 Ca 0.28 0.40 -0.19 0.00 0.00 0.00 0.00 51.96 52.45 1fun s ALA 123 Cb 0.08 -3.29 -0.03 0.00 0.00 0.00 0.00 23.12 19.88 1fun s ALA 123 CO 0.14 -1.49 0.55 0.34 0.00 0.00 0.00 175.76 175.31 1fun s ASP 124 N -3.00 6.63 0.00 0.00 -1.08 -1.26 -3.75 116.67 114.21 1fun s ASP 124 Ca 0.64 0.76 0.29 0.00 -0.52 0.00 0.00 52.55 53.72 1fun s ASP 124 Cb -0.19 -2.31 1.56 0.00 -1.46 0.00 0.00 42.92 40.52 1fun s ASP 124 CO 0.48 -0.18 2.02 -0.90 0.52 0.00 0.00 175.17 177.11 1fun n ASP 125 N 4.69 0.00 -1.20 -0.34 5.68 0.37 -4.91 116.55 120.84 1fun n ASP 125 Ca -0.04 -0.45 -0.12 0.00 -0.50 0.00 0.00 54.79 53.68 1fun n ASP 125 Cb 0.50 -0.17 -0.03 0.00 -1.14 0.00 0.00 41.12 40.29 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 -1.17 -1.26 0.00 -2.12 4.77 -1.26 -2.97 117.00 112.99 1fun n LEU 126 Ca 0.17 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 1fun n LEU 126 Cb 0.17 -1.93 0.00 0.00 -2.33 0.00 0.00 43.42 39.33 1fun n LEU 126 CO 0.19 -0.37 0.00 0.61 -1.33 0.00 0.00 177.39 176.50 1fun n GLY 127 N -1.22 1.30 2.01 -0.72 0.00 -1.25 -4.14 105.19 101.18 1fun n GLY 127 Ca -0.14 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.76 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 3.04 0.00 1.61 5.02 -1.16 -4.44 118.16 120.24 1fun n LYS 128 Ca 0.00 -2.83 0.14 0.00 -2.02 0.00 0.00 58.31 53.60 1fun n LYS 128 Cb 0.00 -2.14 0.65 0.00 -0.02 0.00 0.00 35.03 33.53 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 -0.45 -1.11 2.37 0.72 0.00 -1.26 -4.95 105.19 100.52 1fun n GLY 129 Ca 0.45 -0.22 -0.03 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 1.30 0.55 1.25 -0.02 0.00 -1.26 -4.95 105.19 102.05 1fun n GLY 130 Ca 0.14 -0.21 -0.08 0.00 0.00 0.00 0.00 46.02 45.86 1fun n GLY 130 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1fun n ASN 131 N -0.11 0.37 0.30 1.61 6.94 -1.26 -5.05 115.26 118.06 1fun n ASN 131 Ca -0.03 -1.83 -0.15 0.00 -0.02 0.00 0.00 54.58 52.55 1fun n ASN 131 Cb 0.24 0.52 -0.08 0.00 -2.36 0.00 0.00 39.78 38.10 1fun n ASN 131 CO 0.00 0.00 0.00 -0.33 -1.03 0.00 0.00 177.26 175.90 1fun h GLU 132 N 0.00 -0.75 -0.35 -3.83 4.39 -2.01 -3.10 114.58 108.93 1fun h GLU 132 Ca -0.10 0.05 0.10 0.00 0.34 0.00 0.00 59.36 59.75 1fun h GLU 132 Cb 0.46 0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 29.27 1fun h GLU 132 CO 0.16 -0.44 0.48 0.93 -1.16 0.00 0.00 179.01 178.98 1fun h GLU 133 N -1.03 0.00 -0.48 2.33 4.39 -1.98 -1.00 114.58 116.81 1fun h GLU 133 Ca -0.08 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.51 1fun h GLU 133 Cb 0.66 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.29 1fun h GLU 133 CO 0.13 0.00 -0.12 1.03 -1.16 0.00 0.00 179.01 178.89 1fun h SER 134 N 0.00 0.94 -0.03 1.42 0.87 -1.88 0.34 113.55 115.20 1fun h SER 134 Ca 0.16 -0.36 0.00 0.00 -1.23 0.00 0.00 61.79 60.36 1fun h SER 134 Cb 1.12 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 62.83 1fun h SER 134 CO -0.00 1.08 0.00 0.35 -0.53 0.00 0.00 176.83 177.73 1fun n THR 135 N -4.22 0.04 -0.02 2.23 -2.24 -0.39 -2.36 114.28 107.33 1fun n THR 135 Ca 0.00 -0.10 -0.02 0.00 -2.27 0.00 0.00 64.05 61.65 1fun n THR 135 Cb 0.40 -0.10 -0.01 0.00 -2.10 0.00 0.00 70.33 68.51 1fun n THR 135 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1fun n GLU 136 N -0.49 0.14 0.00 -0.78 2.13 -0.77 -1.51 120.64 119.35 1fun n GLU 136 Ca 0.18 0.06 0.05 0.00 0.66 0.00 0.00 57.16 58.11 1fun n GLU 136 Cb 0.17 -0.64 -0.03 0.00 0.27 0.00 0.00 31.44 31.21 1fun n GLU 136 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1fun n THR 137 N -3.16 0.00 -1.09 6.31 -2.24 0.11 -4.66 114.28 109.55 1fun n THR 137 Ca -0.04 -0.32 -0.03 0.00 -2.27 0.00 0.00 64.05 61.39 1fun n THR 137 Cb 0.14 1.05 -0.01 0.00 -2.10 0.00 0.00 70.33 69.40 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 1.10 0.59 2.43 3.38 0.00 -0.59 -3.19 105.19 108.89 1fun n GLY 138 Ca 0.03 -0.29 -0.19 0.00 0.00 0.00 0.00 46.02 45.57 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 0.10 -5.33 0.31 1.61 3.02 -1.23 -0.48 115.26 113.26 1fun n ASN 139 Ca -0.03 0.18 0.20 0.00 -0.03 0.00 0.00 54.58 54.90 1fun n ASN 139 Cb 0.21 -4.55 0.98 0.00 -0.61 0.00 0.00 39.78 35.82 1fun n ASN 139 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1fun h ALA 140 N 0.72 1.01 0.00 5.41 0.00 -1.63 -3.44 119.26 121.33 1fun h ALA 140 Ca -0.43 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1fun h ALA 140 Cb 1.30 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1fun h ALA 140 CO 0.55 0.01 0.00 0.41 0.00 0.00 0.00 179.25 180.21 1fun n GLY 141 N -0.60 -0.57 3.82 0.00 0.00 -1.26 0.52 105.19 107.10 1fun n GLY 141 Ca -0.01 -1.68 -0.30 0.00 0.00 0.00 0.00 46.02 44.02 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 4.83 -0.55 1.61 1.04 -1.26 -4.70 113.70 110.67 1fun s SER 142 Ca 0.00 1.33 -0.20 0.00 0.48 0.00 0.00 55.95 57.57 1fun s SER 142 Cb 0.00 -2.11 0.07 0.00 0.10 0.00 0.00 66.02 64.08 1fun s SER 142 CO 0.00 -1.76 0.70 -0.13 0.98 0.00 0.00 173.24 173.03 1fun s ARG 143 N -5.17 3.10 -0.03 4.02 0.52 -1.26 -0.21 118.95 119.93 1fun s ARG 143 Ca 0.60 -1.01 -0.24 0.00 -0.52 0.00 0.00 55.73 54.56 1fun s ARG 143 Cb -0.14 -4.17 -0.17 0.00 0.52 0.00 0.00 34.95 30.99 1fun s ARG 143 CO 0.54 -1.40 1.08 -0.07 0.02 0.00 0.00 175.30 175.47 1fun h LEU 144 N 9.99 -0.17 -7.71 2.53 3.38 -1.50 -3.47 115.31 118.36 1fun h LEU 144 Ca -0.28 -0.36 -0.10 0.00 0.09 0.00 0.00 57.88 57.23 1fun h LEU 144 Cb 1.09 0.04 -0.17 0.00 0.09 0.00 0.00 40.66 41.72 1fun h LEU 144 CO 1.04 0.32 -0.36 0.00 0.09 0.00 0.00 178.44 179.53 1fun s ALA 145 N -4.13 -0.40 0.31 1.53 0.00 -1.21 -3.70 121.76 114.16 1fun s ALA 145 Ca -0.14 -0.29 -0.12 0.00 0.00 0.00 0.00 51.96 51.41 1fun s ALA 145 Cb 0.01 0.33 0.01 0.00 0.00 0.00 0.00 23.12 23.48 1fun s ALA 145 CO 0.56 -0.40 0.58 0.00 0.00 0.00 0.00 175.76 176.49 1fun s GLY 147 N -3.07 -0.09 0.10 0.00 0.00 -0.80 -1.44 107.32 102.01 1fun s GLY 147 Ca 0.21 2.89 -0.31 0.00 0.00 0.00 0.00 44.72 47.52 1fun s GLY 147 CO 0.12 2.20 1.41 0.14 0.00 0.00 0.00 173.10 176.98 1fun s VAL 148 N 0.79 3.33 -0.12 1.40 1.01 -1.26 -1.65 120.40 123.90 1fun s VAL 148 Ca -0.03 0.92 -0.29 0.00 0.00 0.00 0.00 61.98 62.57 1fun s VAL 148 Cb -0.04 -3.59 -0.03 0.00 0.00 0.00 0.00 36.38 32.72 1fun s VAL 148 CO -0.11 0.06 1.34 -0.63 0.00 0.00 0.00 175.10 175.75 1fun s ILE 149 N 1.39 4.10 0.24 2.22 1.01 0.19 -4.55 121.20 125.79 1fun s ILE 149 Ca 0.65 1.36 0.10 0.00 0.00 0.00 0.00 60.65 62.76 1fun s ILE 149 Cb -0.36 -3.88 -0.05 0.00 0.01 0.00 0.00 42.46 38.18 1fun s ILE 149 CO 0.30 -0.09 -0.17 -0.83 0.00 0.00 0.00 174.94 174.14 1fun s GLY 150 N 2.15 1.63 0.28 6.18 0.00 -0.47 -0.33 107.32 116.77 1fun s GLY 150 Ca 0.59 -1.75 -0.29 0.00 0.00 0.00 0.00 44.72 43.26 1fun s GLY 150 CO 0.19 -1.85 1.39 -0.42 0.00 0.00 0.00 173.10 172.42 1fun s ILE 151 N -2.74 2.67 0.37 0.90 1.01 -1.26 -1.47 121.20 120.68 1fun s ILE 151 Ca 0.26 0.60 0.06 0.00 0.00 0.00 0.00 60.65 61.57 1fun s ILE 151 Cb -0.03 -3.39 -0.07 0.00 0.01 0.00 0.00 42.46 38.98 1fun s ILE 151 CO 0.10 0.12 0.03 0.00 0.00 0.00 0.00 174.94 175.19 1fun s ALA 152 N -0.46 2.80 -2.67 9.38 0.00 0.04 -4.78 121.76 126.07 1fun s ALA 152 Ca 0.55 -2.19 0.27 0.00 0.00 0.00 0.00 51.96 50.59 1fun s ALA 152 Cb -0.41 0.37 0.75 0.00 0.00 0.00 0.00 23.12 23.83 1fun s ALA 152 CO 0.48 -0.19 1.58 0.94 0.00 0.00 0.00 175.76 178.56