#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ufn h SER 2 N 0.00 0.00 -3.15 1.61 0.87 -1.96 -3.48 113.55 107.44 1ufn h SER 2 Ca 0.00 -0.21 -0.46 0.00 -1.23 0.00 0.00 61.79 59.89 1ufn h SER 2 Cb 0.00 0.00 0.10 0.00 -0.44 0.00 0.00 62.40 62.06 1ufn h SER 2 CO 0.00 0.69 0.21 -0.55 -0.53 0.00 0.00 176.83 176.66 1ufn s SER 3 N -5.78 4.25 -0.18 6.23 0.15 -1.26 -5.06 113.70 112.06 1ufn s SER 3 Ca -0.08 0.08 -0.17 0.00 0.70 0.00 0.00 55.95 56.48 1ufn s SER 3 Cb 0.00 -0.49 -0.13 0.00 -1.71 0.00 0.00 66.02 63.69 1ufn s SER 3 CO 0.20 -1.95 0.08 1.23 1.20 0.00 0.00 173.24 174.01 1ufn h GLY 4 N -0.79 0.00 -0.78 9.45 0.00 -2.04 -3.39 103.07 105.52 1ufn h GLY 4 Ca -0.41 0.00 0.24 0.00 0.00 0.00 0.00 47.33 47.16 1ufn h GLY 4 CO 0.47 0.00 0.01 1.48 0.00 0.00 0.00 176.54 178.50 1ufn h SER 5 N -1.00 -0.45 -1.24 0.19 4.64 -2.02 -3.40 113.55 110.26 1ufn h SER 5 Ca -0.20 0.26 -0.48 0.00 -0.47 0.00 0.00 61.79 60.90 1ufn h SER 5 Cb 0.95 0.45 -0.01 0.00 -0.31 0.00 0.00 62.40 63.48 1ufn h SER 5 CO -0.12 -0.30 -0.28 -0.44 -0.87 0.00 0.00 176.83 174.82 1ufn s SER 6 N -5.08 5.17 0.00 4.97 0.01 -1.26 -5.00 113.70 112.50 1ufn s SER 6 Ca -0.13 -0.74 0.00 0.00 1.31 0.00 0.00 55.95 56.39 1ufn s SER 6 Cb 0.27 -0.31 0.00 0.00 0.21 0.00 0.00 66.02 66.19 1ufn s SER 6 CO 0.77 -0.87 0.00 0.61 0.41 0.00 0.00 173.24 174.16 1ufn n GLY 7 N -1.79 -1.36 3.71 3.44 0.00 -1.26 -4.60 105.19 103.33 1ufn n GLY 7 Ca 0.06 0.51 -0.39 0.00 0.00 0.00 0.00 46.02 46.21 1ufn n GLY 7 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ufn s ASN 8 N -4.00 6.82 0.00 1.61 -0.87 -1.26 -4.78 114.94 112.47 1ufn s ASN 8 Ca 0.00 0.99 0.25 0.00 -1.57 0.00 0.00 52.86 52.53 1ufn s ASN 8 Cb 0.00 -2.35 0.46 0.00 -0.02 0.00 0.00 41.25 39.34 1ufn s ASN 8 CO 0.00 -0.07 1.39 -0.90 -2.57 0.00 0.00 177.10 174.94 1ufn n ASP 9 N 3.83 1.78 -0.49 -1.22 5.68 -1.26 -4.10 116.55 120.76 1ufn n ASP 9 Ca -0.04 -1.39 0.01 0.00 -0.50 0.00 0.00 54.79 52.87 1ufn n ASP 9 Cb 0.51 0.20 0.04 0.00 -1.14 0.00 0.00 41.12 40.73 1ufn n ASP 9 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1ufn n ALA 10 N 0.04 2.59 -0.24 2.12 0.00 -1.26 -4.08 120.51 119.68 1ufn n ALA 10 Ca 0.13 -0.16 0.04 0.00 0.00 0.00 0.00 53.44 53.45 1ufn n ALA 10 Cb 0.43 -1.01 0.28 0.00 0.00 0.00 0.00 19.45 19.16 1ufn n ALA 10 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ufn h VAL 11 N 0.38 1.07 -0.01 0.00 2.07 -2.01 -0.95 116.25 116.80 1ufn h VAL 11 Ca 0.00 -0.32 -0.10 0.00 0.82 0.00 0.00 66.70 67.10 1ufn h VAL 11 Cb 0.49 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 1ufn h VAL 11 CO 0.03 0.17 -0.48 0.44 0.02 0.00 0.00 177.57 177.75 1ufn h ASP 12 N 0.92 0.04 -6.34 0.57 5.19 -1.94 -3.47 116.42 111.39 1ufn h ASP 12 Ca 0.34 -0.02 -0.48 0.00 -0.62 0.00 0.00 57.03 56.25 1ufn h ASP 12 Cb 0.16 -0.01 -0.05 0.00 0.18 0.00 0.00 39.33 39.62 1ufn h ASP 12 CO -0.11 0.51 -0.79 0.49 -3.12 0.00 0.00 179.24 176.21 1ufn n PHE 13 N -3.97 -2.10 -0.02 4.55 3.72 -0.36 -4.92 117.46 114.37 1ufn n PHE 13 Ca -0.02 0.87 -0.00 0.00 -0.05 0.00 0.00 57.45 58.25 1ufn n PHE 13 Cb 0.50 -3.89 -0.00 0.00 -0.94 0.00 0.00 39.48 35.15 1ufn n PHE 13 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1ufn h SER 14 N -1.95 0.00 0.09 4.37 0.87 -1.91 -3.36 113.55 111.66 1ufn h SER 14 Ca -0.59 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 59.97 1ufn h SER 14 Cb 1.37 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.33 1ufn h SER 14 CO 0.66 0.17 0.00 -0.81 -0.53 0.00 0.00 176.83 176.33 1ufn n PRO 15 N -2.89 0.40 -4.52 2.24 -0.04 -1.26 -4.64 135.00 124.29 1ufn n PRO 15 Ca -0.01 0.05 -0.22 0.00 -0.04 0.00 0.00 63.50 63.29 1ufn n PRO 15 Cb 0.02 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 31.83 1ufn n PRO 15 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1ufn s THR 16 N -2.18 0.96 -0.02 0.52 -4.23 -1.26 -1.10 115.64 108.33 1ufn s THR 16 Ca 0.20 -0.48 0.03 0.00 -1.18 0.00 0.00 61.69 60.26 1ufn s THR 16 Cb 0.10 -0.83 -0.00 0.00 1.34 0.00 0.00 72.50 73.12 1ufn s THR 16 CO 0.19 0.28 -0.11 -0.76 -0.54 0.00 0.00 174.62 173.69 1ufn s LEU 17 N -0.01 1.87 -0.06 4.79 1.43 -0.00 -4.70 118.68 121.99 1ufn s LEU 17 Ca -0.00 -0.22 -0.30 0.00 -1.03 0.00 0.00 54.13 52.58 1ufn s LEU 17 Cb -0.08 -0.63 -0.05 0.00 0.03 0.00 0.00 46.19 45.47 1ufn s LEU 17 CO 0.00 0.10 1.50 -2.16 0.23 0.00 0.00 176.35 176.02 1ufn s PRO 18 N 0.04 4.22 0.09 1.29 0.04 -1.26 -0.80 135.00 138.61 1ufn s PRO 18 Ca -0.01 2.02 0.08 0.00 0.04 0.00 0.00 61.00 63.13 1ufn s PRO 18 Cb -0.08 -3.82 -0.03 0.00 0.04 0.00 0.00 34.50 30.61 1ufn s PRO 18 CO 0.00 -0.75 -0.21 0.14 0.04 0.00 0.00 177.00 176.22 1ufn s VAL 19 N 3.47 1.75 -0.13 -0.36 -7.23 -0.48 -4.31 120.40 113.13 1ufn s VAL 19 Ca 0.67 -1.50 -0.07 0.00 -1.81 0.00 0.00 61.98 59.27 1ufn s VAL 19 Cb -0.30 -1.58 0.05 0.00 0.56 0.00 0.00 36.38 35.11 1ufn s VAL 19 CO 0.25 0.00 0.30 0.42 -0.31 0.00 0.00 175.10 175.76 1ufn s THR 20 N -1.09 -0.05 -0.23 5.32 -4.23 -0.98 -0.63 115.64 113.75 1ufn s THR 20 Ca 0.07 0.13 -0.00 0.00 -1.18 0.00 0.00 61.69 60.71 1ufn s THR 20 Cb -0.10 -0.46 0.06 0.00 1.34 0.00 0.00 72.50 73.35 1ufn s THR 20 CO 0.04 0.05 -0.02 0.00 -0.54 0.00 0.00 174.62 174.16 1ufn n GLY 22 N 4.76 1.51 1.07 0.00 0.00 -1.26 -0.22 105.19 111.06 1ufn n GLY 22 Ca -0.10 0.40 0.11 0.00 0.00 0.00 0.00 46.02 46.43 1ufn n GLY 22 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1ufn n LYS 23 N 0.85 2.40 -4.15 1.61 -0.00 -1.26 -4.94 118.16 112.67 1ufn n LYS 23 Ca 0.00 -2.17 -0.30 0.00 -0.00 0.00 0.00 58.31 55.84 1ufn n LYS 23 Cb 0.00 -1.48 -0.08 0.00 -0.00 0.00 0.00 35.03 33.47 1ufn n LYS 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1ufn s ALA 24 N -1.52 3.22 0.02 0.58 0.00 0.70 -4.96 121.76 119.80 1ufn s ALA 24 Ca 0.35 -1.15 -0.07 0.00 0.00 0.00 0.00 51.96 51.08 1ufn s ALA 24 Cb 0.21 -1.13 -0.00 0.00 0.00 0.00 0.00 23.12 22.21 1ufn s ALA 24 CO 0.30 0.68 0.14 -1.59 0.00 0.00 0.00 175.76 175.29 1ufn s LYS 25 N -2.32 0.55 0.00 0.00 -2.85 -1.26 0.35 119.74 114.22 1ufn s LYS 25 Ca 0.25 -0.52 0.00 0.00 -1.00 0.00 0.00 55.97 54.69 1ufn s LYS 25 Cb -0.11 0.23 0.00 0.00 -2.06 0.00 0.00 37.83 35.88 1ufn s LYS 25 CO 0.17 -0.14 0.00 0.41 0.10 0.00 0.00 175.35 175.89 1ufn n GLY 26 N 1.13 2.00 2.72 0.59 0.00 0.19 -3.26 105.19 108.56 1ufn n GLY 26 Ca -0.21 -0.71 -0.19 0.00 0.00 0.00 0.00 46.02 44.91 1ufn n GLY 26 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ufn s THR 27 N -2.58 -0.04 -0.03 2.61 2.01 0.16 -1.38 115.64 116.40 1ufn s THR 27 Ca 0.00 0.33 -0.24 0.00 0.31 0.00 0.00 61.69 62.09 1ufn s THR 27 Cb 0.00 -0.17 -0.04 0.00 0.01 0.00 0.00 72.50 72.30 1ufn s THR 27 CO 0.00 0.16 0.72 -0.22 -0.69 0.00 0.00 174.62 174.59 1ufn s LEU 28 N 1.78 4.37 -0.43 4.42 2.96 0.02 -1.30 118.68 130.48 1ufn s LEU 28 Ca 0.00 1.28 -0.08 0.00 -0.22 0.00 0.00 54.13 55.11 1ufn s LEU 28 Cb -0.12 -3.13 0.10 0.00 0.50 0.00 0.00 46.19 43.54 1ufn s LEU 28 CO -0.03 -0.06 0.27 -0.36 -1.32 0.00 0.00 176.35 174.85 1ufn s PHE 29 N 0.47 3.43 0.35 5.38 0.40 -0.98 -0.82 117.98 126.20 1ufn s PHE 29 Ca 0.38 -1.87 0.16 0.00 -0.60 0.00 0.00 56.93 54.99 1ufn s PHE 29 Cb -0.19 -3.20 1.18 0.00 0.51 0.00 0.00 43.02 41.32 1ufn s PHE 29 CO 0.20 -0.93 1.57 1.04 0.70 0.00 0.00 175.22 177.80 1ufn n GLN 30 N 4.83 -0.07 -0.23 0.44 6.02 -0.26 0.15 117.38 128.26 1ufn n GLN 30 Ca -0.08 1.41 -0.04 0.00 -0.01 0.00 0.00 57.00 58.28 1ufn n GLN 30 Cb 0.42 -2.44 0.07 0.00 1.02 0.00 0.00 30.24 29.30 1ufn n GLN 30 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 1ufn h GLU 31 N 0.00 0.78 -0.00 -1.09 4.81 -1.93 0.27 114.58 117.41 1ufn h GLU 31 Ca 0.78 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.96 1ufn h GLU 31 Cb 1.96 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 31.17 1ufn h GLU 31 CO -0.82 0.52 -0.05 1.63 -0.73 0.00 0.00 179.01 179.56 1ufn n LYS 32 N -4.69 0.38 -0.06 1.92 5.02 0.38 -3.50 118.16 117.60 1ufn n LYS 32 Ca 0.07 -0.05 -0.16 0.00 -2.02 0.00 0.00 58.31 56.15 1ufn n LYS 32 Cb 0.08 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 33.46 1ufn n LYS 32 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1ufn n LEU 33 N -1.27 1.90 -0.11 -0.35 7.94 0.19 -4.34 117.00 120.96 1ufn n LEU 33 Ca 0.12 0.11 -0.06 0.00 -1.11 0.00 0.00 56.01 55.07 1ufn n LEU 33 Cb 0.27 -0.50 0.00 0.00 0.53 0.00 0.00 43.42 43.73 1ufn n LEU 33 CO 0.25 0.72 0.70 0.11 -1.11 0.00 0.00 177.39 178.06 1ufn h LYS 34 N 0.02 -0.15 -0.28 1.96 1.57 -0.58 -2.16 116.57 116.93 1ufn h LYS 34 Ca -0.47 0.01 0.06 0.00 -1.87 0.00 0.00 60.65 58.38 1ufn h LYS 34 Cb 2.03 0.04 -0.08 0.00 0.08 0.00 0.00 32.23 34.30 1ufn h LYS 34 CO 0.02 -0.10 -0.41 1.96 -0.57 0.00 0.00 179.45 180.35 1ufn h GLN 35 N -0.16 -0.37 0.00 3.15 4.20 -1.77 -3.46 115.11 116.70 1ufn h GLN 35 Ca 0.19 0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.93 1ufn h GLN 35 Cb 0.46 0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.32 1ufn h GLN 35 CO -0.49 -0.25 0.00 0.41 -0.67 0.00 0.00 178.83 177.83 1ufn n GLY 36 N -1.42 1.31 0.49 3.46 0.00 -0.81 -5.00 105.19 103.21 1ufn n GLY 36 Ca -0.02 0.34 0.37 0.00 0.00 0.00 0.00 46.02 46.70 1ufn n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ufn h ALA 37 N 0.00 2.81 -1.00 4.61 0.00 -1.86 0.78 119.26 124.60 1ufn h ALA 37 Ca 0.00 0.08 0.09 0.00 0.00 0.00 0.00 54.91 55.08 1ufn h ALA 37 Cb 0.00 0.17 -0.07 0.00 0.00 0.00 0.00 17.79 17.88 1ufn h ALA 37 CO 0.00 -1.38 0.64 0.77 0.00 0.00 0.00 179.25 179.28 1ufn h SER 38 N 0.11 0.99 -3.97 0.00 0.02 -1.93 -2.81 113.55 105.96 1ufn h SER 38 Ca 0.78 0.03 -0.54 0.00 -0.84 0.00 0.00 61.79 61.22 1ufn h SER 38 Cb 2.53 -0.18 0.11 0.00 0.14 0.00 0.00 62.40 65.00 1ufn h SER 38 CO -0.33 0.59 0.69 -0.54 -1.14 0.00 0.00 176.83 176.10 1ufn s LYS 39 N -5.99 3.84 -0.43 3.45 -0.14 0.27 -4.48 119.74 116.26 1ufn s LYS 39 Ca -0.12 2.38 -0.27 0.00 -1.36 0.00 0.00 55.97 56.60 1ufn s LYS 39 Cb 0.21 -2.75 -0.05 0.00 -1.68 0.00 0.00 37.83 33.57 1ufn s LYS 39 CO 0.81 -0.67 2.18 0.15 -0.76 0.00 0.00 175.35 177.06 1ufn s LYS 40 N -2.32 2.59 -0.00 1.68 -0.14 -1.26 -4.37 119.74 115.92 1ufn s LYS 40 Ca 0.58 1.39 0.02 0.00 -1.36 0.00 0.00 55.97 56.61 1ufn s LYS 40 Cb -0.43 -4.45 -0.04 0.00 -1.68 0.00 0.00 37.83 31.24 1ufn s LYS 40 CO 0.56 -2.72 0.05 0.00 -0.76 0.00 0.00 175.35 172.47 1ufn s ILE 42 N -2.16 4.71 -0.32 0.00 1.01 -0.80 -2.32 121.20 121.32 1ufn s ILE 42 Ca -0.01 -0.07 -0.14 0.00 0.00 0.00 0.00 60.65 60.43 1ufn s ILE 42 Cb 0.01 -4.34 -0.02 0.00 0.01 0.00 0.00 42.46 38.12 1ufn s ILE 42 CO 0.09 -0.83 0.31 -1.58 0.00 0.00 0.00 174.94 172.93 1ufn s GLN 43 N 3.08 3.66 1.09 2.79 0.74 -0.42 0.14 119.66 130.73 1ufn s GLN 43 Ca 0.22 -0.39 -0.18 0.00 0.05 0.00 0.00 55.36 55.06 1ufn s GLN 43 Cb -0.16 -3.77 0.25 0.00 1.10 0.00 0.00 33.01 30.44 1ufn s GLN 43 CO 0.16 -0.43 1.23 0.54 -0.55 0.00 0.00 175.29 176.25 1ufn s ASN 44 N 1.72 1.97 0.49 6.67 2.20 -1.12 0.39 114.94 127.27 1ufn s ASN 44 Ca 0.10 0.38 0.19 0.00 -0.94 0.00 0.00 52.86 52.60 1ufn s ASN 44 Cb -0.17 -0.47 1.23 0.00 -2.00 0.00 0.00 41.25 39.84 1ufn s ASN 44 CO 0.11 -3.45 2.00 1.05 -2.94 0.00 0.00 177.10 173.87 1ufn h GLU 45 N -2.13 0.17 0.00 3.55 4.11 -1.90 0.42 114.58 118.80 1ufn h GLU 45 Ca -0.44 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 58.98 1ufn h GLU 45 Cb 1.25 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1ufn h GLU 45 CO 0.34 0.11 0.00 0.00 0.07 0.00 0.00 179.01 179.53 1ufn n ALA 46 N -2.58 2.40 0.00 1.06 0.00 -1.26 -4.84 120.51 115.29 1ufn n ALA 46 Ca 0.09 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1ufn n ALA 46 Cb 0.46 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.53 1ufn n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ufn n GLY 47 N 0.51 2.57 3.62 0.00 0.00 0.15 -4.95 105.19 107.08 1ufn n GLY 47 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 1ufn n GLY 47 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ufn s ASP 48 N -3.08 6.35 0.58 1.61 1.01 -1.26 -4.65 116.67 117.24 1ufn s ASP 48 Ca 0.00 1.45 -0.19 0.00 0.71 0.00 0.00 52.55 54.51 1ufn s ASP 48 Cb 0.00 -2.53 -0.04 0.00 1.01 0.00 0.00 42.92 41.36 1ufn s ASP 48 CO 0.00 -1.31 1.24 0.26 0.21 0.00 0.00 175.17 175.57 1ufn s TRP 49 N 5.33 2.37 -0.02 4.23 0.52 -1.26 -2.78 118.94 127.32 1ufn s TRP 49 Ca 0.69 1.49 -0.02 0.00 0.02 0.00 0.00 56.10 58.29 1ufn s TRP 49 Cb -0.22 -3.55 0.00 0.00 -1.15 0.00 0.00 33.47 28.55 1ufn s TRP 49 CO 0.29 -2.36 0.05 -0.51 0.02 0.00 0.00 176.95 174.45 1ufn s LEU 50 N -3.95 1.81 0.47 2.99 1.43 0.36 -4.93 118.68 116.85 1ufn s LEU 50 Ca 0.76 0.09 -0.23 0.00 -1.03 0.00 0.00 54.13 53.72 1ufn s LEU 50 Cb -0.33 0.18 -0.07 0.00 0.03 0.00 0.00 46.19 46.01 1ufn s LEU 50 CO 0.36 -0.03 1.22 0.42 0.23 0.00 0.00 176.35 178.56 1ufn s THR 51 N -0.02 2.82 0.55 5.49 -4.23 -1.26 -1.90 115.64 117.09 1ufn s THR 51 Ca -0.00 0.64 0.30 0.00 -1.18 0.00 0.00 61.69 61.44 1ufn s THR 51 Cb -0.01 -3.33 0.45 0.00 1.34 0.00 0.00 72.50 70.95 1ufn s THR 51 CO 0.00 0.01 1.25 0.52 -0.54 0.00 0.00 174.62 175.86 1ufn n VAL 52 N -0.50 0.00 -0.10 2.29 0.31 -1.06 0.88 118.33 120.16 1ufn n VAL 52 Ca 0.07 1.21 -0.20 0.00 -0.01 0.00 0.00 64.34 65.42 1ufn n VAL 52 Cb 0.47 -2.13 -0.11 0.00 -0.91 0.00 0.00 33.84 31.15 1ufn n VAL 52 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 1ufn h LYS 53 N 0.00 0.00 -0.00 5.55 1.63 -1.88 -3.37 116.57 118.50 1ufn h LYS 53 Ca 0.56 0.00 0.02 0.00 -0.85 0.00 0.00 60.65 60.38 1ufn h LYS 53 Cb 2.91 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 34.49 1ufn h LYS 53 CO -0.01 0.97 -0.49 0.93 -3.45 0.00 0.00 179.45 177.40 1ufn h GLU 54 N -1.00 -0.59 -0.84 1.90 3.07 0.17 -1.04 114.58 116.26 1ufn h GLU 54 Ca -0.26 0.04 0.29 0.00 -0.50 0.00 0.00 59.36 58.93 1ufn h GLU 54 Cb 1.21 0.13 -0.15 0.00 -0.84 0.00 0.00 28.75 29.10 1ufn h GLU 54 CO -0.16 -0.39 0.25 0.34 -1.40 0.00 0.00 179.01 177.65 1ufn n PHE 55 N -5.16 0.77 0.11 4.33 7.35 -0.70 0.10 117.46 124.26 1ufn n PHE 55 Ca -0.07 1.00 -0.13 0.00 -0.76 0.00 0.00 57.45 57.49 1ufn n PHE 55 Cb 0.36 -1.27 -0.08 0.00 0.35 0.00 0.00 39.48 38.83 1ufn n PHE 55 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1ufn h LEU 56 N 0.00 -0.21 -1.21 -2.13 3.38 -1.36 -2.78 115.31 111.00 1ufn h LEU 56 Ca 0.62 -0.10 0.23 0.00 0.09 0.00 0.00 57.88 58.71 1ufn h LEU 56 Cb 1.49 0.05 -0.10 0.00 0.09 0.00 0.00 40.66 42.19 1ufn h LEU 56 CO -0.71 -0.03 0.63 0.78 0.09 0.00 0.00 178.44 179.20 1ufn h ASN 57 N -0.38 0.59 -1.01 -0.43 2.35 0.10 0.34 115.58 117.15 1ufn h ASN 57 Ca -0.02 0.09 0.08 0.00 -0.55 0.00 0.00 56.30 55.90 1ufn h ASN 57 Cb 0.29 -0.01 -0.07 0.00 0.05 0.00 0.00 38.32 38.58 1ufn h ASN 57 CO 0.04 0.16 0.65 -0.33 -1.65 0.00 0.00 177.43 176.30 1ufn h GLU 58 N 0.54 1.09 0.09 0.81 4.39 -1.07 -2.75 114.58 117.67 1ufn h GLU 58 Ca 0.58 -0.07 -0.32 0.00 0.34 0.00 0.00 59.36 59.90 1ufn h GLU 58 Cb 1.22 -0.25 -0.02 0.00 -0.10 0.00 0.00 28.75 29.60 1ufn h GLU 58 CO -0.34 0.72 -1.70 0.78 -1.16 0.00 0.00 179.01 177.31 1ufn h GLY 59 N 1.12 0.22 0.00 -3.84 0.00 -0.61 -3.44 103.07 96.52 1ufn h GLY 59 Ca 0.46 -0.55 0.00 0.00 0.00 0.00 0.00 47.33 47.23 1ufn h GLY 59 CO -0.20 0.48 0.00 0.61 0.00 0.00 0.00 176.54 177.43 1ufn n GLY 60 N 1.73 1.65 0.24 4.60 0.00 0.88 -4.57 105.19 109.72 1ufn n GLY 60 Ca -0.21 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.89 1ufn n GLY 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ufn n ARG 61 N -0.11 1.93 -0.35 1.61 5.12 -0.92 -4.73 116.66 119.20 1ufn n ARG 61 Ca 0.00 -2.43 0.10 0.00 -1.93 0.00 0.00 57.85 53.58 1ufn n ARG 61 Cb 0.00 -1.47 0.27 0.00 -1.16 0.00 0.00 32.46 30.10 1ufn n ARG 61 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1ufn h ALA 62 N 0.43 1.56 -0.64 7.54 0.00 -1.88 0.47 119.26 126.74 1ufn h ALA 62 Ca 0.00 0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.03 1ufn h ALA 62 Cb 0.99 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 1ufn h ALA 62 CO 0.04 0.08 0.42 0.00 0.00 0.00 0.00 179.25 179.80 1ufn h THR 63 N 0.86 1.00 -3.98 0.00 1.03 -1.96 -3.42 112.91 106.44 1ufn h THR 63 Ca 0.53 -0.22 -0.53 0.00 -0.01 0.00 0.00 66.41 66.19 1ufn h THR 63 Cb 0.68 0.31 0.09 0.00 -1.07 0.00 0.00 68.15 68.17 1ufn h THR 63 CO -0.33 0.12 0.59 -0.44 -0.01 0.00 0.00 175.52 175.45 1ufn s SER 64 N -6.29 6.10 -0.03 0.00 0.01 0.16 -4.99 113.70 108.66 1ufn s SER 64 Ca -0.09 2.60 -0.02 0.00 1.31 0.00 0.00 55.95 59.76 1ufn s SER 64 Cb 0.19 -2.63 -0.01 0.00 0.21 0.00 0.00 66.02 63.78 1ufn s SER 64 CO 0.76 -0.99 -0.03 0.11 0.41 0.00 0.00 173.24 173.50 1ufn h LYS 65 N 2.34 0.00 -6.24 12.44 1.79 -1.84 -3.45 116.57 121.61 1ufn h LYS 65 Ca -0.50 0.00 -0.55 0.00 -2.18 0.00 0.00 60.65 57.42 1ufn h LYS 65 Cb 1.26 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.91 1ufn h LYS 65 CO 0.61 0.00 1.26 -0.51 -1.08 0.00 0.00 179.45 179.73 1ufn s ASP 66 N -3.97 6.21 0.18 0.86 1.01 -1.26 -4.86 116.67 114.84 1ufn s ASP 66 Ca -0.03 2.21 0.13 0.00 0.71 0.00 0.00 52.55 55.57 1ufn s ASP 66 Cb 0.00 -2.53 -0.07 0.00 1.01 0.00 0.00 42.92 41.34 1ufn s ASP 66 CO 0.04 -1.31 1.26 4.11 0.21 0.00 0.00 175.17 179.48 1ufn h TRP 67 N 11.61 0.00 0.00 4.23 5.08 -1.91 -3.21 115.95 131.74 1ufn h TRP 67 Ca -0.43 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.54 1ufn h TRP 67 Cb 1.21 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.37 1ufn h TRP 67 CO 0.93 0.70 0.00 0.87 -1.28 0.00 0.00 178.44 179.66 1ufn h LYS 68 N 0.00 0.00 0.05 0.12 1.57 -1.89 -1.80 116.57 114.62 1ufn h LYS 68 Ca -0.04 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.40 1ufn h LYS 68 Cb 1.57 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.84 1ufn h LYS 68 CO 0.08 0.00 -1.88 0.41 -0.57 0.00 0.00 179.45 177.49 1ufn n GLY 69 N -0.28 -0.61 0.21 3.86 0.00 -1.22 -2.82 105.19 104.33 1ufn n GLY 69 Ca 0.01 -0.11 -0.01 0.00 0.00 0.00 0.00 46.02 45.90 1ufn n GLY 69 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1ufn h VAL 70 N -0.44 1.28 -3.37 1.61 -1.51 -1.55 -3.42 116.25 108.84 1ufn h VAL 70 Ca -0.46 -1.34 -0.58 0.00 -1.23 0.00 0.00 66.70 63.10 1ufn h VAL 70 Cb 1.72 1.56 -0.08 0.00 -2.13 0.00 0.00 31.29 32.35 1ufn h VAL 70 CO -0.10 0.40 -0.04 -0.63 -1.23 0.00 0.00 177.57 175.97 1ufn s ILE 71 N -4.30 5.12 -0.06 7.19 1.01 -0.68 -4.66 121.20 124.82 1ufn s ILE 71 Ca -0.05 1.07 0.02 0.00 0.00 0.00 0.00 60.65 61.70 1ufn s ILE 71 Cb 0.14 -3.88 -0.03 0.00 0.01 0.00 0.00 42.46 38.70 1ufn s ILE 71 CO 0.76 0.25 -0.12 -0.13 0.00 0.00 0.00 174.94 175.71 1ufn s ARG 72 N 1.06 2.65 -0.29 2.79 0.52 -0.95 -3.04 118.95 121.69 1ufn s ARG 72 Ca 0.28 -0.64 0.02 0.00 -0.52 0.00 0.00 55.73 54.86 1ufn s ARG 72 Cb -0.16 -2.47 0.07 0.00 0.52 0.00 0.00 34.95 32.91 1ufn s ARG 72 CO 0.11 0.61 -0.04 0.00 0.02 0.00 0.00 175.30 176.00 1ufn n ASN 74 N 4.44 -5.11 0.00 0.00 3.02 -1.26 -1.60 115.26 114.75 1ufn n ASN 74 Ca -0.10 -0.10 0.00 0.00 -0.03 0.00 0.00 54.58 54.35 1ufn n ASN 74 Cb 0.42 -4.11 0.00 0.00 -0.61 0.00 0.00 39.78 35.48 1ufn n ASN 74 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ufn n GLY 75 N -1.16 1.88 3.31 7.41 0.00 -1.26 -5.02 105.19 110.35 1ufn n GLY 75 Ca -0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.52 1ufn n GLY 75 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ufn s GLU 76 N -0.48 3.32 0.38 1.61 8.01 -0.63 -5.06 118.70 125.85 1ufn s GLU 76 Ca 0.00 -0.69 -0.26 0.00 0.01 0.00 0.00 54.97 54.02 1ufn s GLU 76 Cb 0.00 -2.73 -0.11 0.00 -4.31 0.00 0.00 34.13 26.97 1ufn s GLU 76 CO 0.00 0.02 1.20 0.25 0.01 0.00 0.00 175.26 176.74 1ufn n THR 77 N 4.08 2.27 -0.28 3.63 -2.24 -1.26 0.13 114.28 120.60 1ufn n THR 77 Ca -0.19 -0.50 0.10 0.00 -2.27 0.00 0.00 64.05 61.19 1ufn n THR 77 Cb 0.52 -1.42 0.23 0.00 -2.10 0.00 0.00 70.33 67.56 1ufn n THR 77 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1ufn h LEU 78 N 2.13 -0.17 -0.83 3.22 3.38 -1.43 0.36 115.31 121.98 1ufn h LEU 78 Ca -0.46 0.20 0.06 0.00 0.09 0.00 0.00 57.88 57.78 1ufn h LEU 78 Cb 1.30 0.31 -0.06 0.00 0.09 0.00 0.00 40.66 42.30 1ufn h LEU 78 CO 0.60 -0.17 0.51 -0.09 0.09 0.00 0.00 178.44 179.38 1ufn h ARG 79 N 0.16 0.90 -0.40 1.13 2.43 -1.87 -1.64 114.38 115.08 1ufn h ARG 79 Ca 0.49 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.61 1ufn h ARG 79 Cb 0.95 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 30.28 1ufn h ARG 79 CO -0.67 0.59 0.26 1.25 -1.51 0.00 0.00 179.97 179.89 1ufn h HIS 80 N 0.92 0.51 -0.67 2.20 2.76 -0.63 -2.28 115.15 117.97 1ufn h HIS 80 Ca 0.36 0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.55 1ufn h HIS 80 Cb 0.17 -0.17 -0.03 0.00 1.55 0.00 0.00 27.41 28.93 1ufn h HIS 80 CO -0.04 0.34 0.44 -0.07 -1.30 0.00 0.00 177.93 177.30 1ufn h LEU 81 N 0.53 0.76 -0.88 0.26 3.38 -0.75 -2.37 115.31 116.24 1ufn h LEU 81 Ca 0.15 -0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.15 1ufn h LEU 81 Cb -0.04 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 40.47 1ufn h LEU 81 CO -0.03 0.55 0.56 -0.08 0.09 0.00 0.00 178.44 179.53 1ufn h GLU 82 N 0.90 1.03 -0.98 1.13 4.22 -0.99 0.03 114.58 119.92 1ufn h GLU 82 Ca 0.25 -0.06 0.05 0.00 0.08 0.00 0.00 59.36 59.67 1ufn h GLU 82 Cb -0.09 -0.23 -0.06 0.00 0.50 0.00 0.00 28.75 28.87 1ufn h GLU 82 CO -0.06 0.68 0.64 1.96 -2.18 0.00 0.00 179.01 180.05 1ufn h GLN 83 N 1.06 1.16 0.00 1.92 4.20 -0.89 0.10 115.11 122.66 1ufn h GLN 83 Ca 0.37 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 59.01 1ufn h GLN 83 Cb 0.09 -0.26 0.00 0.00 0.30 0.00 0.00 27.48 27.61 1ufn h GLN 83 CO -0.15 0.77 0.00 1.63 -0.67 0.00 0.00 178.83 180.41 1ufn n LYS 84 N -4.46 0.55 -1.74 1.46 5.02 -0.70 -4.88 118.16 113.41 1ufn n LYS 84 Ca 0.14 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.44 1ufn n LYS 84 Cb 0.14 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.65 1ufn n LYS 84 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ufn n GLY 85 N 1.10 0.46 0.13 0.72 0.00 0.36 -4.97 105.19 102.99 1ufn n GLY 85 Ca 0.16 -0.87 -0.24 0.00 0.00 0.00 0.00 46.02 45.07 1ufn n GLY 85 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ufn n LEU 86 N 0.00 2.40 -4.44 0.99 4.77 -0.09 -4.85 117.00 115.78 1ufn n LEU 86 Ca 0.00 0.16 -0.43 0.00 -0.03 0.00 0.00 56.01 55.70 1ufn n LEU 86 Cb 0.40 -0.90 -0.09 0.00 -2.33 0.00 0.00 43.42 40.49 1ufn n LEU 86 CO 0.00 0.71 -0.05 -0.22 -1.33 0.00 0.00 177.39 176.50 1ufn s LEU 87 N -7.13 5.22 0.42 2.23 0.20 -1.20 -4.92 118.68 113.49 1ufn s LEU 87 Ca -0.35 -1.00 0.19 0.00 0.69 0.00 0.00 54.13 53.67 1ufn s LEU 87 Cb 0.11 -2.16 1.13 0.00 -0.43 0.00 0.00 46.19 44.83 1ufn s LEU 87 CO 0.57 -0.49 1.81 2.19 -0.29 0.00 0.00 176.35 180.14 1ufn h PHE 88 N 8.65 0.56 -6.37 5.38 -0.00 -1.92 -3.37 116.94 119.88 1ufn h PHE 88 Ca -0.27 0.02 -0.48 0.00 -0.00 0.00 0.00 57.97 57.23 1ufn h PHE 88 Cb 1.12 -0.17 -0.06 0.00 -0.00 0.00 0.00 35.95 36.84 1ufn h PHE 88 CO 0.57 0.09 -0.78 -1.13 -0.00 0.00 0.00 178.31 177.06 1ufn n SER 89 N -4.54 -4.07 0.00 -0.68 3.41 -1.26 -4.63 113.62 101.84 1ufn n SER 89 Ca 0.23 -0.83 0.00 0.00 -0.26 0.00 0.00 58.87 58.01 1ufn n SER 89 Cb 0.83 -3.68 0.00 0.00 -0.26 0.00 0.00 64.21 61.10 1ufn n SER 89 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ufn n GLY 90 N -1.65 -1.05 0.56 5.00 0.00 -1.26 -4.97 105.19 101.82 1ufn n GLY 90 Ca 0.00 -1.60 -0.05 0.00 0.00 0.00 0.00 46.02 44.38 1ufn n GLY 90 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ufn n PRO 91 N -0.76 -1.37 -3.12 1.61 -0.04 -1.26 -4.20 135.00 125.85 1ufn n PRO 91 Ca 0.00 -0.28 -0.21 0.00 -0.04 0.00 0.00 63.50 62.97 1ufn n PRO 91 Cb 0.00 -0.26 0.00 0.00 -0.04 0.00 0.00 33.50 33.20 1ufn n PRO 91 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ufn n SER 92 N -3.30 -4.28 -0.21 3.54 2.88 -1.26 -4.84 113.62 106.15 1ufn n SER 92 Ca 0.02 -0.26 -0.01 0.00 -1.33 0.00 0.00 58.87 57.29 1ufn n SER 92 Cb 0.09 -3.53 0.10 0.00 -0.75 0.00 0.00 64.21 60.12 1ufn n SER 92 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1ufn h SER 93 N -0.89 0.39 0.00 -3.46 0.87 -1.89 -3.54 113.55 105.03 1ufn h SER 93 Ca -0.43 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.19 1ufn h SER 93 Cb 1.29 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.24 1ufn h SER 93 CO 0.51 0.24 0.00 0.61 -0.53 0.00 0.00 176.83 177.66