#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ufn s SER 2 N 0.00 2.57 0.30 1.61 1.04 -1.26 -5.08 113.70 112.88 1ufn s SER 2 Ca 0.00 1.01 -0.18 0.00 0.48 0.00 0.00 55.95 57.27 1ufn s SER 2 Cb 0.00 -1.59 0.02 0.00 0.10 0.00 0.00 66.02 64.56 1ufn s SER 2 CO 0.00 -3.14 0.69 -0.44 0.98 0.00 0.00 173.24 171.32 1ufn s SER 3 N -3.70 -0.13 -0.30 7.02 0.01 -1.26 -5.16 113.70 110.19 1ufn s SER 3 Ca 0.66 -0.82 -0.18 0.00 1.31 0.00 0.00 55.95 56.93 1ufn s SER 3 Cb -0.16 0.73 0.17 0.00 0.21 0.00 0.00 66.02 66.97 1ufn s SER 3 CO 0.56 -1.39 1.23 -0.83 0.41 0.00 0.00 173.24 173.22 1ufn s GLY 4 N -2.98 -0.34 -0.15 3.44 0.00 -1.26 -4.81 107.32 101.21 1ufn s GLY 4 Ca 0.15 2.90 -0.11 0.00 0.00 0.00 0.00 44.72 47.66 1ufn s GLY 4 CO 0.09 4.09 -0.20 1.44 0.00 0.00 0.00 173.10 178.51 1ufn n SER 5 N 5.31 1.84 -4.59 1.64 7.64 -1.26 -4.82 113.62 119.37 1ufn n SER 5 Ca -0.02 0.57 -0.43 0.00 1.01 0.00 0.00 58.87 60.00 1ufn n SER 5 Cb 0.56 -0.85 -0.02 0.00 -1.01 0.00 0.00 64.21 62.89 1ufn n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1ufn s SER 6 N -5.81 6.56 0.84 6.43 1.04 -1.26 -4.85 113.70 116.65 1ufn s SER 6 Ca -0.18 0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.58 1ufn s SER 6 Cb 0.03 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.60 1ufn s SER 6 CO 0.27 -1.34 0.00 0.61 0.98 0.00 0.00 173.24 173.77 1ufn n GLY 7 N 4.93 1.69 3.04 7.32 0.00 -1.26 -4.84 105.19 116.07 1ufn n GLY 7 Ca 0.11 -0.58 -0.09 0.00 0.00 0.00 0.00 46.02 45.46 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 0.45 0.08 1.61 0.01 -1.26 -4.97 114.94 106.85 1ufn s ASN 8 Ca 0.00 -0.70 0.27 0.00 -0.71 0.00 0.00 52.86 51.73 1ufn s ASN 8 Cb 0.00 0.12 0.93 0.00 0.41 0.00 0.00 41.25 42.72 1ufn s ASN 8 CO 0.00 -0.39 1.76 -0.67 -1.51 0.00 0.00 177.10 176.29 1ufn n ASP 9 N 1.01 0.38 -4.49 -1.22 2.03 -1.26 -4.68 116.55 108.32 1ufn n ASP 9 Ca -0.20 0.40 -0.42 0.00 0.52 0.00 0.00 54.79 55.09 1ufn n ASP 9 Cb 0.57 -0.45 -0.10 0.00 -0.72 0.00 0.00 41.12 40.43 1ufn n ASP 9 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ufn s ALA 10 N -3.05 3.47 -0.22 -1.67 0.00 -1.26 -4.92 121.76 114.11 1ufn s ALA 10 Ca 0.12 -1.54 -0.06 0.00 0.00 0.00 0.00 51.96 50.48 1ufn s ALA 10 Cb 0.16 -2.90 -0.19 0.00 0.00 0.00 0.00 23.12 20.19 1ufn s ALA 10 CO 0.59 -1.38 -0.06 0.28 0.00 0.00 0.00 175.76 175.19 1ufn n VAL 11 N 5.25 1.58 -0.08 0.00 0.31 -1.26 -3.92 118.33 120.21 1ufn n VAL 11 Ca -0.10 -0.49 -0.07 0.00 -0.01 0.00 0.00 64.34 63.67 1ufn n VAL 11 Cb 0.48 -1.66 -0.16 0.00 -0.91 0.00 0.00 33.84 31.59 1ufn n VAL 11 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1ufn n ASP 12 N -3.65 0.09 0.17 4.52 5.68 -1.26 -4.28 116.55 117.81 1ufn n ASP 12 Ca -0.43 0.04 0.04 0.00 -0.50 0.00 0.00 54.79 53.94 1ufn n ASP 12 Cb 0.95 1.04 0.22 0.00 -1.14 0.00 0.00 41.12 42.19 1ufn n ASP 12 CO 0.00 0.00 0.00 -0.26 -1.33 0.00 0.00 177.20 175.61 1ufn h PHE 13 N 0.00 0.00 0.65 2.11 -1.00 -1.86 -3.12 116.94 113.71 1ufn h PHE 13 Ca -0.45 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.30 1ufn h PHE 13 Cb 2.04 0.00 0.01 0.00 3.61 0.00 0.00 35.95 41.61 1ufn h PHE 13 CO 0.00 0.45 -0.31 1.03 -1.61 0.00 0.00 178.31 177.87 1ufn h SER 14 N 0.00 -0.74 0.00 2.17 0.87 -1.75 -2.94 113.55 111.17 1ufn h SER 14 Ca -0.00 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 1ufn h SER 14 Cb 1.09 0.19 0.00 0.00 -0.44 0.00 0.00 62.40 63.24 1ufn h SER 14 CO 0.06 -0.37 0.00 -0.81 -0.53 0.00 0.00 176.83 175.18 1ufn n PRO 15 N -5.37 0.49 -4.36 2.24 -0.04 -1.25 -4.68 135.00 122.03 1ufn n PRO 15 Ca -0.12 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.14 1ufn n PRO 15 Cb 0.36 -1.32 -0.13 0.00 -0.04 0.00 0.00 33.50 32.37 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 -2.00 1.23 -0.01 0.52 -4.23 -1.11 -1.46 115.64 108.59 1ufn s THR 16 Ca 0.15 -1.12 0.01 0.00 -1.18 0.00 0.00 61.69 59.55 1ufn s THR 16 Cb 0.07 -1.12 -0.00 0.00 1.34 0.00 0.00 72.50 72.79 1ufn s THR 16 CO 0.11 -0.01 -0.03 -0.76 -0.54 0.00 0.00 174.62 173.39 1ufn s LEU 17 N -1.30 1.93 -0.17 4.79 1.43 -0.28 -4.78 118.68 120.30 1ufn s LEU 17 Ca 0.02 -0.06 -0.29 0.00 -1.03 0.00 0.00 54.13 52.77 1ufn s LEU 17 Cb -0.08 -0.19 -0.03 0.00 0.03 0.00 0.00 46.19 45.91 1ufn s LEU 17 CO 0.02 0.03 1.58 -2.16 0.23 0.00 0.00 176.35 176.05 1ufn s PRO 18 N 0.02 3.94 0.14 1.29 0.04 -1.26 -1.10 135.00 138.07 1ufn s PRO 18 Ca 0.00 1.79 0.09 0.00 0.04 0.00 0.00 61.00 62.92 1ufn s PRO 18 Cb -0.03 -3.99 -0.04 0.00 0.04 0.00 0.00 34.50 30.49 1ufn s PRO 18 CO -0.00 -1.11 -0.17 0.14 0.04 0.00 0.00 177.00 175.90 1ufn s VAL 19 N 4.70 2.86 -0.11 -0.36 -7.23 -1.06 -4.12 120.40 115.08 1ufn s VAL 19 Ca 0.70 -1.60 -0.05 0.00 -1.81 0.00 0.00 61.98 59.21 1ufn s VAL 19 Cb -0.26 -2.34 0.05 0.00 0.56 0.00 0.00 36.38 34.38 1ufn s VAL 19 CO 0.27 0.03 0.25 0.42 -0.31 0.00 0.00 175.10 175.76 1ufn s THR 20 N -1.33 -0.13 -0.27 5.32 -4.23 0.40 -1.14 115.64 114.26 1ufn s THR 20 Ca 0.20 0.18 0.01 0.00 -1.18 0.00 0.00 61.69 60.90 1ufn s THR 20 Cb -0.10 -0.40 0.07 0.00 1.34 0.00 0.00 72.50 73.42 1ufn s THR 20 CO 0.11 0.07 -0.01 0.00 -0.54 0.00 0.00 174.62 174.26 1ufn n GLY 22 N 4.62 1.41 1.36 0.00 0.00 -1.26 -0.09 105.19 111.23 1ufn n GLY 22 Ca -0.07 0.42 0.11 0.00 0.00 0.00 0.00 46.02 46.48 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 0.31 2.94 -4.38 1.61 2.85 -1.26 -4.94 118.16 115.29 1ufn n LYS 23 Ca 0.00 -2.68 -0.27 0.00 -1.05 0.00 0.00 58.31 54.31 1ufn n LYS 23 Cb 0.00 -1.62 -0.11 0.00 -0.65 0.00 0.00 35.03 32.65 1ufn n LYS 23 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1ufn s ALA 24 N -1.18 2.67 -0.08 0.58 0.00 0.87 -4.95 121.76 119.68 1ufn s ALA 24 Ca 0.48 -1.59 -0.17 0.00 0.00 0.00 0.00 51.96 50.68 1ufn s ALA 24 Cb 0.26 -0.46 0.04 0.00 0.00 0.00 0.00 23.12 22.96 1ufn s ALA 24 CO 0.31 0.44 0.40 -1.59 0.00 0.00 0.00 175.76 175.32 1ufn s LYS 25 N -2.73 0.64 0.00 0.00 -2.85 -1.26 0.46 119.74 113.99 1ufn s LYS 25 Ca 0.22 0.20 0.00 0.00 -1.00 0.00 0.00 55.97 55.39 1ufn s LYS 25 Cb -0.08 0.30 0.00 0.00 -2.06 0.00 0.00 37.83 35.99 1ufn s LYS 25 CO 0.12 -0.15 0.00 0.41 0.10 0.00 0.00 175.35 175.83 1ufn n GLY 26 N 1.90 3.87 3.06 0.59 0.00 -0.29 -4.07 105.19 110.24 1ufn n GLY 26 Ca -0.18 -0.43 -0.13 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.21 -0.37 -0.02 2.61 2.01 -0.54 -2.57 115.64 116.54 1ufn s THR 27 Ca 0.00 0.24 -0.22 0.00 0.31 0.00 0.00 61.69 62.02 1ufn s THR 27 Cb 0.00 -0.47 -0.05 0.00 0.01 0.00 0.00 72.50 72.00 1ufn s THR 27 CO 0.00 0.10 0.66 -0.22 -0.69 0.00 0.00 174.62 174.47 1ufn s LEU 28 N 2.22 4.38 -0.42 4.42 2.96 -0.26 -1.55 118.68 130.43 1ufn s LEU 28 Ca -0.01 1.21 -0.06 0.00 -0.22 0.00 0.00 54.13 55.04 1ufn s LEU 28 Cb -0.12 -3.03 0.10 0.00 0.50 0.00 0.00 46.19 43.65 1ufn s LEU 28 CO -0.09 0.00 0.24 -0.36 -1.32 0.00 0.00 176.35 174.82 1ufn s PHE 29 N 0.23 3.46 0.31 5.38 0.40 -1.13 -1.13 117.98 125.50 1ufn s PHE 29 Ca 0.34 -2.01 0.08 0.00 -0.60 0.00 0.00 56.93 54.75 1ufn s PHE 29 Cb -0.18 -3.14 0.90 0.00 0.51 0.00 0.00 43.02 41.10 1ufn s PHE 29 CO 0.18 -0.93 1.65 1.96 0.70 0.00 0.00 175.22 178.77 1ufn h GLN 30 N 8.24 0.23 -0.91 0.44 4.20 -1.62 0.70 115.11 126.39 1ufn h GLN 30 Ca -0.18 -0.01 0.05 0.00 0.06 0.00 0.00 58.65 58.56 1ufn h GLN 30 Cb 1.06 -0.05 -0.06 0.00 0.30 0.00 0.00 27.48 28.73 1ufn h GLN 30 CO 0.74 0.15 0.58 1.49 -0.67 0.00 0.00 178.83 181.13 1ufn h GLU 31 N 0.24 1.06 -0.00 1.46 4.81 -1.93 0.51 114.58 120.73 1ufn h GLU 31 Ca 0.64 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.81 1ufn h GLU 31 Cb 1.40 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 30.54 1ufn h GLU 31 CO -0.66 0.70 -0.29 1.63 -0.73 0.00 0.00 179.01 179.67 1ufn n LYS 32 N -4.54 0.09 -0.05 1.92 5.02 0.20 -3.73 118.16 117.07 1ufn n LYS 32 Ca 0.13 -0.04 -0.10 0.00 -2.02 0.00 0.00 58.31 56.28 1ufn n LYS 32 Cb 0.14 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.50 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 -1.42 0.84 -0.25 -0.35 7.94 0.12 -4.28 117.00 119.59 1ufn n LEU 33 Ca 0.07 0.24 0.05 0.00 -1.11 0.00 0.00 56.01 55.27 1ufn n LEU 33 Cb 0.33 0.12 0.18 0.00 0.53 0.00 0.00 43.42 44.59 1ufn n LEU 33 CO 0.31 0.49 0.95 0.11 -1.11 0.00 0.00 177.39 178.14 1ufn h LYS 34 N 0.01 0.30 0.23 1.96 1.57 -0.13 -2.06 116.57 118.44 1ufn h LYS 34 Ca -0.39 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.38 1ufn h LYS 34 Cb 2.09 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 34.29 1ufn h LYS 34 CO 0.06 0.20 -0.45 1.96 -0.57 0.00 0.00 179.45 180.65 1ufn h GLN 35 N 0.31 -0.73 -1.03 3.15 4.20 -1.75 -3.44 115.11 115.83 1ufn h GLN 35 Ca 0.41 0.05 0.35 0.00 0.06 0.00 0.00 58.65 59.52 1ufn h GLN 35 Cb 0.69 0.17 -0.20 0.00 0.30 0.00 0.00 27.48 28.44 1ufn h GLN 35 CO -0.48 -0.48 0.99 0.20 -0.67 0.00 0.00 178.83 178.38 1ufn s GLY 36 N -2.28 -0.25 0.00 3.46 0.00 -0.77 -4.99 107.32 102.48 1ufn s GLY 36 Ca -0.17 1.75 0.00 0.00 0.00 0.00 0.00 44.72 46.30 1ufn s GLY 36 CO 0.62 0.56 0.87 0.00 0.00 0.00 0.00 173.10 175.15 1ufn n ALA 37 N -0.10 2.43 -0.05 3.20 0.00 -1.26 -2.93 120.51 121.80 1ufn n ALA 37 Ca 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.46 1ufn n ALA 37 Cb 0.58 -1.00 -0.13 0.00 0.00 0.00 0.00 19.45 18.90 1ufn n ALA 37 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ufn n SER 38 N -0.43 1.15 -4.76 0.00 2.88 -1.26 -3.40 113.62 107.80 1ufn n SER 38 Ca 0.00 0.00 -0.39 0.00 -1.33 0.00 0.00 58.87 57.15 1ufn n SER 38 Cb 0.03 1.24 -0.05 0.00 -0.75 0.00 0.00 64.21 64.68 1ufn n SER 38 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1ufn s LYS 39 N -2.69 4.65 -0.38 -1.46 -0.14 -1.15 -4.69 119.74 113.88 1ufn s LYS 39 Ca -0.07 1.58 -0.27 0.00 -1.36 0.00 0.00 55.97 55.85 1ufn s LYS 39 Cb 0.07 -3.09 -0.06 0.00 -1.68 0.00 0.00 37.83 33.08 1ufn s LYS 39 CO 0.66 0.29 2.28 0.15 -0.76 0.00 0.00 175.35 177.98 1ufn s LYS 40 N -1.57 2.59 -0.01 1.68 -0.14 -1.26 -4.40 119.74 116.63 1ufn s LYS 40 Ca 0.46 1.63 0.02 0.00 -1.36 0.00 0.00 55.97 56.72 1ufn s LYS 40 Cb -0.27 -4.47 -0.03 0.00 -1.68 0.00 0.00 37.83 31.38 1ufn s LYS 40 CO 0.34 -2.72 0.02 0.00 -0.76 0.00 0.00 175.35 172.23 1ufn s ILE 42 N -2.09 4.64 -0.30 0.00 1.01 -0.87 -2.86 121.20 120.74 1ufn s ILE 42 Ca -0.01 0.92 -0.10 0.00 0.00 0.00 0.00 60.65 61.45 1ufn s ILE 42 Cb 0.01 -4.29 -0.03 0.00 0.01 0.00 0.00 42.46 38.16 1ufn s ILE 42 CO 0.09 -0.56 0.17 -1.58 0.00 0.00 0.00 174.94 173.06 1ufn s GLN 43 N 3.34 3.61 1.06 2.79 0.74 -0.60 0.16 119.66 130.77 1ufn s GLN 43 Ca 0.34 -0.54 -0.17 0.00 0.05 0.00 0.00 55.36 55.04 1ufn s GLN 43 Cb -0.12 -3.61 0.24 0.00 1.10 0.00 0.00 33.01 30.62 1ufn s GLN 43 CO 0.19 -0.31 1.24 0.54 -0.55 0.00 0.00 175.29 176.40 1ufn s ASN 44 N 1.68 2.20 0.51 6.67 2.20 -1.16 -1.47 114.94 125.57 1ufn s ASN 44 Ca 0.06 0.40 0.21 0.00 -0.94 0.00 0.00 52.86 52.59 1ufn s ASN 44 Cb -0.16 -0.50 1.31 0.00 -2.00 0.00 0.00 41.25 39.89 1ufn s ASN 44 CO 0.08 -3.31 2.04 -0.33 -2.94 0.00 0.00 177.10 172.63 1ufn h GLU 45 N -2.04 0.06 0.00 3.55 4.39 -1.92 0.39 114.58 119.02 1ufn h GLU 45 Ca -0.44 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.25 1ufn h GLU 45 Cb 1.26 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.89 1ufn h GLU 45 CO 0.36 0.04 0.00 0.00 -1.16 0.00 0.00 179.01 178.25 1ufn n ALA 46 N -2.60 2.42 0.00 3.43 0.00 -1.26 -4.85 120.51 117.65 1ufn n ALA 46 Ca 0.06 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1ufn n ALA 46 Cb 0.43 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.47 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 0.64 2.91 3.61 0.00 0.00 0.14 -4.96 105.19 107.53 1ufn n GLY 47 Ca 0.18 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 -2.14 6.11 0.76 1.61 1.11 -1.26 -4.62 116.67 118.24 1ufn s ASP 48 Ca 0.00 1.47 -0.14 0.00 0.18 0.00 0.00 52.55 54.05 1ufn s ASP 48 Cb 0.00 -2.53 0.06 0.00 1.07 0.00 0.00 42.92 41.52 1ufn s ASP 48 CO 0.00 -1.51 1.21 0.26 1.18 0.00 0.00 175.17 176.31 1ufn s TRP 49 N 6.12 1.96 -0.04 4.23 0.52 -1.26 -2.99 118.94 127.48 1ufn s TRP 49 Ca 0.77 1.62 -0.06 0.00 0.02 0.00 0.00 56.10 58.45 1ufn s TRP 49 Cb -0.24 -3.48 0.01 0.00 -1.15 0.00 0.00 33.47 28.61 1ufn s TRP 49 CO 0.32 -2.71 0.15 -0.51 0.02 0.00 0.00 176.95 174.21 1ufn s LEU 50 N -5.36 1.48 0.37 2.99 1.43 0.42 -4.92 118.68 115.09 1ufn s LEU 50 Ca 0.74 0.12 -0.26 0.00 -1.03 0.00 0.00 54.13 53.70 1ufn s LEU 50 Cb -0.29 0.57 -0.09 0.00 0.03 0.00 0.00 46.19 46.41 1ufn s LEU 50 CO 0.47 -0.16 1.14 0.42 0.23 0.00 0.00 176.35 178.45 1ufn s THR 51 N -0.43 3.32 0.32 5.49 -4.23 -1.26 -2.05 115.64 116.80 1ufn s THR 51 Ca -0.05 1.15 0.25 0.00 -1.18 0.00 0.00 61.69 61.86 1ufn s THR 51 Cb -0.03 -3.67 0.38 0.00 1.34 0.00 0.00 72.50 70.52 1ufn s THR 51 CO 0.01 0.14 1.09 0.52 -0.54 0.00 0.00 174.62 175.84 1ufn n VAL 52 N 0.37 -0.14 -0.02 2.29 0.31 -1.22 0.13 118.33 120.05 1ufn n VAL 52 Ca 0.03 1.22 -0.10 0.00 -0.01 0.00 0.00 64.34 65.48 1ufn n VAL 52 Cb 0.46 -2.01 -0.08 0.00 -0.91 0.00 0.00 33.84 31.30 1ufn n VAL 52 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 1ufn h LYS 53 N 0.00 -0.07 -0.36 5.55 1.57 -1.89 -3.33 116.57 118.03 1ufn h LYS 53 Ca 0.62 0.01 0.04 0.00 -1.87 0.00 0.00 60.65 59.45 1ufn h LYS 53 Cb 2.11 0.02 -0.07 0.00 0.08 0.00 0.00 32.23 34.37 1ufn h LYS 53 CO -0.27 0.49 -0.50 0.93 -0.57 0.00 0.00 179.45 179.54 1ufn h GLU 54 N -0.92 -0.34 -0.81 3.15 4.39 0.81 0.19 114.58 121.05 1ufn h GLU 54 Ca -0.01 0.02 0.25 0.00 0.34 0.00 0.00 59.36 59.97 1ufn h GLU 54 Cb 0.60 0.08 -0.15 0.00 -0.10 0.00 0.00 28.75 29.18 1ufn h GLU 54 CO 0.01 -0.23 0.13 0.34 -1.16 0.00 0.00 179.01 178.10 1ufn n PHE 55 N -5.07 0.63 0.08 4.33 7.35 -0.80 0.12 117.46 124.11 1ufn n PHE 55 Ca -0.03 0.97 -0.13 0.00 -0.76 0.00 0.00 57.45 57.51 1ufn n PHE 55 Cb 0.30 -1.18 -0.07 0.00 0.35 0.00 0.00 39.48 38.88 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 -0.13 -0.99 -2.13 3.38 -1.07 -2.53 115.31 111.83 1ufn h LEU 56 Ca 0.54 0.01 0.18 0.00 0.09 0.00 0.00 57.88 58.70 1ufn h LEU 56 Cb 1.23 0.04 -0.10 0.00 0.09 0.00 0.00 40.66 41.91 1ufn h LEU 56 CO -0.73 -0.09 0.60 0.78 0.09 0.00 0.00 178.44 179.09 1ufn h ASN 57 N -0.14 0.78 -0.79 -0.43 2.35 0.12 0.28 115.58 117.77 1ufn h ASN 57 Ca -0.01 0.09 0.09 0.00 -0.55 0.00 0.00 56.30 55.93 1ufn h ASN 57 Cb 0.11 -0.05 -0.07 0.00 0.05 0.00 0.00 38.32 38.36 1ufn h ASN 57 CO 0.01 0.30 0.43 -0.33 -1.65 0.00 0.00 177.43 176.19 1ufn h GLU 58 N 0.78 0.71 0.14 0.81 4.39 -0.94 -2.56 114.58 117.92 1ufn h GLU 58 Ca 0.56 -0.04 -0.30 0.00 0.34 0.00 0.00 59.36 59.92 1ufn h GLU 58 Cb 0.83 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.32 1ufn h GLU 58 CO -0.37 0.47 -1.42 0.78 -1.16 0.00 0.00 179.01 177.32 1ufn h GLY 59 N 0.73 0.34 0.00 -3.84 0.00 -0.89 -3.45 103.07 95.96 1ufn h GLY 59 Ca 0.38 -0.87 0.00 0.00 0.00 0.00 0.00 47.33 46.84 1ufn h GLY 59 CO -0.25 0.76 0.00 0.61 0.00 0.00 0.00 176.54 177.66 1ufn n GLY 60 N 1.62 1.86 0.23 4.60 0.00 0.80 -4.52 105.19 109.78 1ufn n GLY 60 Ca -0.13 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.42 2.09 -0.33 1.61 1.74 -0.88 -4.73 116.66 115.73 1ufn n ARG 61 Ca 0.00 -2.33 0.17 0.00 -0.77 0.00 0.00 57.85 54.92 1ufn n ARG 61 Cb 0.00 -1.42 0.39 0.00 -1.02 0.00 0.00 32.46 30.41 1ufn n ARG 61 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ufn h ALA 62 N 0.45 1.87 -0.55 7.54 0.00 -1.87 0.32 119.26 127.02 1ufn h ALA 62 Ca 0.00 0.08 0.16 0.00 0.00 0.00 0.00 54.91 55.15 1ufn h ALA 62 Cb 0.94 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1ufn h ALA 62 CO 0.04 -0.26 0.46 0.00 0.00 0.00 0.00 179.25 179.49 1ufn h THR 63 N 0.61 0.53 -4.10 0.00 1.03 -1.94 -3.42 112.91 105.63 1ufn h THR 63 Ca 0.59 0.00 -0.51 0.00 -0.01 0.00 0.00 66.41 66.48 1ufn h THR 63 Cb 1.12 0.66 0.09 0.00 -1.07 0.00 0.00 68.15 68.95 1ufn h THR 63 CO -0.37 0.00 0.44 -0.55 -0.01 0.00 0.00 175.52 175.03 1ufn s SER 64 N -5.68 5.50 -0.24 0.00 0.15 0.11 -4.99 113.70 108.56 1ufn s SER 64 Ca -0.05 2.22 -0.16 0.00 0.70 0.00 0.00 55.95 58.66 1ufn s SER 64 Cb 0.18 -2.58 -0.16 0.00 -1.71 0.00 0.00 66.02 61.75 1ufn s SER 64 CO 0.65 -1.37 -0.08 1.17 1.20 0.00 0.00 173.24 174.81 1ufn n LYS 65 N -1.50 0.59 -2.61 5.44 3.00 -1.26 -4.86 118.16 116.96 1ufn n LYS 65 Ca 0.12 0.38 -0.43 0.00 -0.00 0.00 0.00 58.31 58.38 1ufn n LYS 65 Cb 0.51 -1.61 -0.02 0.00 0.00 0.00 0.00 35.03 33.91 1ufn n LYS 65 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1ufn s ASP 66 N -7.16 6.80 0.19 3.14 1.11 -1.26 -4.89 116.67 114.60 1ufn s ASP 66 Ca -0.34 0.86 0.10 0.00 0.18 0.00 0.00 52.55 53.35 1ufn s ASP 66 Cb 0.11 -2.55 -0.02 0.00 1.07 0.00 0.00 42.92 41.53 1ufn s ASP 66 CO 0.55 -1.03 1.39 4.11 1.18 0.00 0.00 175.17 181.37 1ufn h TRP 67 N 8.61 0.00 0.00 4.23 5.08 -1.93 -3.13 115.95 128.81 1ufn h TRP 67 Ca -0.22 0.00 -0.03 0.00 1.08 0.00 0.00 58.89 59.72 1ufn h TRP 67 Cb 1.06 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.22 1ufn h TRP 67 CO 0.89 0.79 -0.16 0.87 -1.28 0.00 0.00 178.44 179.55 1ufn h LYS 68 N 0.00 0.00 0.11 0.12 1.57 -1.90 -0.35 116.57 116.12 1ufn h LYS 68 Ca -0.01 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.55 1ufn h LYS 68 Cb 1.54 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.85 1ufn h LYS 68 CO 0.10 0.16 -1.11 0.78 -0.57 0.00 0.00 179.45 178.82 1ufn h GLY 69 N 1.18 0.26 1.08 3.86 0.00 -1.95 -2.81 103.07 104.69 1ufn h GLY 69 Ca -0.00 -0.66 -0.14 0.00 0.00 0.00 0.00 47.33 46.53 1ufn h GLY 69 CO 0.02 0.57 -0.32 -0.39 0.00 0.00 0.00 176.54 176.43 1ufn h VAL 70 N -0.43 1.28 -3.22 4.60 -1.51 -1.49 -3.43 116.25 112.05 1ufn h VAL 70 Ca -0.23 -1.49 -0.56 0.00 -1.23 0.00 0.00 66.70 63.19 1ufn h VAL 70 Cb 1.63 1.37 -0.03 0.00 -2.13 0.00 0.00 31.29 32.12 1ufn h VAL 70 CO 0.06 0.50 0.60 -0.63 -1.23 0.00 0.00 177.57 176.86 1ufn s ILE 71 N -4.46 4.67 -0.10 7.19 1.01 -0.15 -4.56 121.20 124.81 1ufn s ILE 71 Ca -0.11 1.95 0.01 0.00 0.00 0.00 0.00 60.65 62.50 1ufn s ILE 71 Cb 0.11 -4.25 -0.02 0.00 0.01 0.00 0.00 42.46 38.31 1ufn s ILE 71 CO 0.87 0.00 -0.14 -0.13 0.00 0.00 0.00 174.94 175.54 1ufn s ARG 72 N 2.05 3.03 -0.28 2.79 0.52 0.72 -3.09 118.95 124.69 1ufn s ARG 72 Ca 0.50 -0.69 0.00 0.00 -0.52 0.00 0.00 55.73 55.02 1ufn s ARG 72 Cb -0.20 -2.53 0.05 0.00 0.52 0.00 0.00 34.95 32.80 1ufn s ARG 72 CO 0.19 0.38 -0.05 0.00 0.02 0.00 0.00 175.30 175.84 1ufn n ASN 74 N 4.54 -4.87 0.00 0.00 4.13 -1.26 -1.72 115.26 116.08 1ufn n ASN 74 Ca -0.13 -0.10 0.00 0.00 1.68 0.00 0.00 54.58 56.02 1ufn n ASN 74 Cb 0.43 -3.87 0.00 0.00 -1.54 0.00 0.00 39.78 34.79 1ufn n ASN 74 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ufn n GLY 75 N -1.16 1.92 3.30 7.41 0.00 -1.26 -5.01 105.19 110.39 1ufn n GLY 75 Ca -0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.34 3.27 0.47 1.61 2.02 -0.70 -5.06 118.70 119.97 1ufn s GLU 76 Ca 0.00 -0.73 -0.25 0.00 0.02 0.00 0.00 54.97 54.01 1ufn s GLU 76 Cb 0.00 -2.62 -0.08 0.00 0.10 0.00 0.00 34.13 31.53 1ufn s GLU 76 CO 0.00 0.09 1.40 0.95 0.02 0.00 0.00 175.26 177.72 1ufn s THR 77 N 0.65 2.11 0.31 3.63 -4.23 -1.26 0.12 115.64 116.96 1ufn s THR 77 Ca -0.08 0.09 0.05 0.00 -1.18 0.00 0.00 61.69 60.57 1ufn s THR 77 Cb -0.16 -3.05 0.39 0.00 1.34 0.00 0.00 72.50 71.02 1ufn s THR 77 CO 0.02 0.01 1.59 -0.07 -0.54 0.00 0.00 174.62 175.63 1ufn h LEU 78 N 2.16 -0.28 -0.83 4.79 3.38 -1.42 0.94 115.31 124.05 1ufn h LEU 78 Ca -0.51 0.26 0.06 0.00 0.09 0.00 0.00 57.88 57.79 1ufn h LEU 78 Cb 1.27 0.42 -0.06 0.00 0.09 0.00 0.00 40.66 42.38 1ufn h LEU 78 CO 0.60 -0.34 0.50 -0.09 0.09 0.00 0.00 178.44 179.21 1ufn h ARG 79 N 0.04 0.88 -0.52 1.13 2.43 -1.89 -1.51 114.38 114.94 1ufn h ARG 79 Ca 0.63 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.75 1ufn h ARG 79 Cb 1.37 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 30.69 1ufn h ARG 79 CO -0.85 0.59 0.34 1.25 -1.51 0.00 0.00 179.97 179.78 1ufn h HIS 80 N 0.91 0.66 -0.63 2.20 2.76 0.57 -1.69 115.15 119.92 1ufn h HIS 80 Ca 0.36 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.54 1ufn h HIS 80 Cb 0.19 -0.22 -0.03 0.00 1.55 0.00 0.00 27.41 28.90 1ufn h HIS 80 CO -0.04 0.43 0.35 -0.07 -1.30 0.00 0.00 177.93 177.30 1ufn h LEU 81 N 0.70 0.79 -0.46 0.26 3.38 -0.82 -2.67 115.31 116.50 1ufn h LEU 81 Ca 0.19 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1ufn h LEU 81 Cb -0.06 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 1ufn h LEU 81 CO -0.04 0.65 0.30 -0.08 0.09 0.00 0.00 178.44 179.35 1ufn h GLU 82 N 0.86 0.60 -0.94 1.13 4.22 -0.95 0.29 114.58 119.81 1ufn h GLU 82 Ca 0.22 -0.04 0.10 0.00 0.08 0.00 0.00 59.36 59.72 1ufn h GLU 82 Cb 0.03 -0.13 -0.07 0.00 0.50 0.00 0.00 28.75 29.08 1ufn h GLU 82 CO -0.04 0.41 0.60 1.96 -2.18 0.00 0.00 179.01 179.76 1ufn h GLN 83 N 0.61 0.92 -0.18 1.92 4.20 -1.04 0.30 115.11 121.84 1ufn h GLN 83 Ca 0.17 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.82 1ufn h GLN 83 Cb -0.06 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 27.52 1ufn h GLN 83 CO -0.03 0.61 0.00 1.63 -0.67 0.00 0.00 178.83 180.36 1ufn n LYS 84 N -4.55 1.41 -2.82 1.46 5.02 -0.90 -4.88 118.16 112.91 1ufn n LYS 84 Ca 0.16 -0.64 -0.19 0.00 -2.02 0.00 0.00 58.31 55.62 1ufn n LYS 84 Cb 0.31 -1.15 0.03 0.00 -0.02 0.00 0.00 35.03 34.19 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 0.79 -0.36 0.11 0.72 0.00 0.11 -4.90 105.19 101.66 1ufn n GLY 85 Ca 0.06 -0.02 -0.14 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.36 1.82 -4.70 0.99 4.77 0.98 -4.96 117.00 112.53 1ufn n LEU 86 Ca -0.12 -0.08 -0.35 0.00 -0.03 0.00 0.00 56.01 55.44 1ufn n LEU 86 Cb 0.61 -0.33 -0.09 0.00 -2.33 0.00 0.00 43.42 41.29 1ufn n LEU 86 CO 0.38 0.73 -0.30 -0.22 -1.33 0.00 0.00 177.39 176.65 1ufn s LEU 87 N -5.98 3.66 0.06 2.23 2.96 -1.12 -4.92 118.68 115.57 1ufn s LEU 87 Ca -0.23 0.16 -0.05 0.00 -0.22 0.00 0.00 54.13 53.79 1ufn s LEU 87 Cb 0.07 -1.88 -0.29 0.00 0.50 0.00 0.00 46.19 44.60 1ufn s LEU 87 CO 0.63 0.37 1.07 2.19 -1.32 0.00 0.00 176.35 179.29 1ufn h PHE 88 N 5.02 0.52 -6.28 5.38 -0.00 -1.93 -3.39 116.94 116.26 1ufn h PHE 88 Ca -0.51 -0.38 -0.46 0.00 -0.00 0.00 0.00 57.97 56.62 1ufn h PHE 88 Cb 1.19 -0.02 -0.01 0.00 -0.00 0.00 0.00 35.95 37.11 1ufn h PHE 88 CO 0.64 1.32 -0.83 0.43 -0.00 0.00 0.00 178.31 179.87 1ufn n SER 89 N -3.53 -1.88 0.00 -0.68 7.64 -1.26 -4.64 113.62 109.27 1ufn n SER 89 Ca -0.11 -0.87 0.00 0.00 1.01 0.00 0.00 58.87 58.91 1ufn n SER 89 Cb 1.03 -3.69 0.00 0.00 -1.01 0.00 0.00 64.21 60.54 1ufn n SER 89 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ufn n GLY 90 N -1.69 -2.01 3.68 0.23 0.00 -1.26 -4.85 105.19 99.29 1ufn n GLY 90 Ca -0.20 -1.54 -0.42 0.00 0.00 0.00 0.00 46.02 43.85 1ufn n GLY 90 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ufn s PRO 91 N 0.00 4.24 -0.62 1.61 0.04 -1.26 -4.96 135.00 134.05 1ufn s PRO 91 Ca 0.00 2.02 -0.26 0.00 0.04 0.00 0.00 61.00 62.79 1ufn s PRO 91 Cb 0.00 -3.70 0.04 0.00 0.04 0.00 0.00 34.50 30.87 1ufn s PRO 91 CO 0.00 -0.68 1.13 -1.12 0.04 0.00 0.00 177.00 176.37 1ufn s SER 92 N 2.31 6.33 0.05 6.66 0.01 -1.26 -4.92 113.70 122.88 1ufn s SER 92 Ca 0.66 -0.24 -0.35 0.00 1.31 0.00 0.00 55.95 57.33 1ufn s SER 92 Cb -0.31 -2.51 -0.20 0.00 0.21 0.00 0.00 66.02 63.21 1ufn s SER 92 CO 0.26 -1.50 1.49 -1.28 0.41 0.00 0.00 173.24 172.62 1ufn h SER 93 N 9.60 -1.04 0.00 2.44 0.87 -1.99 -3.55 113.55 119.88 1ufn h SER 93 Ca -0.26 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.33 1ufn h SER 93 Cb 1.06 0.27 0.00 0.00 -0.44 0.00 0.00 62.40 63.29 1ufn h SER 93 CO 1.18 -0.71 0.00 0.61 -0.53 0.00 0.00 176.83 177.38