#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 -0.50 -4.27 1.61 0.02 -2.13 -3.40 113.55 104.87 1ufn h SER 2 Ca 0.00 0.21 -0.50 0.00 -0.84 0.00 0.00 61.79 60.65 1ufn h SER 2 Cb 0.00 0.40 -0.28 0.00 0.14 0.00 0.00 62.40 62.66 1ufn h SER 2 CO 0.00 -0.21 -0.82 -0.55 -1.14 0.00 0.00 176.83 174.11 1ufn s SER 3 N -5.21 1.86 0.00 3.07 0.15 -1.26 -5.13 113.70 107.18 1ufn s SER 3 Ca -0.14 -0.35 0.00 0.00 0.70 0.00 0.00 55.95 56.16 1ufn s SER 3 Cb 0.22 -0.18 0.00 0.00 -1.71 0.00 0.00 66.02 64.35 1ufn s SER 3 CO 0.75 0.15 0.00 0.61 1.20 0.00 0.00 173.24 175.95 1ufn n GLY 4 N 2.42 0.90 3.67 9.45 0.00 -1.26 -5.15 105.19 115.21 1ufn n GLY 4 Ca -0.16 -0.89 -0.35 0.00 0.00 0.00 0.00 46.02 44.62 1ufn n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ufn s SER 5 N 0.00 5.18 0.10 1.61 0.15 -1.26 -5.07 113.70 114.41 1ufn s SER 5 Ca 0.00 0.12 0.04 0.00 0.70 0.00 0.00 55.95 56.80 1ufn s SER 5 Cb 0.00 -1.47 -0.04 0.00 -1.71 0.00 0.00 66.02 62.80 1ufn s SER 5 CO 0.00 0.36 -0.10 -0.55 1.20 0.00 0.00 173.24 174.16 1ufn s SER 6 N -0.79 1.43 0.00 5.45 0.15 -1.26 -5.09 113.70 113.59 1ufn s SER 6 Ca 0.12 -0.84 0.00 0.00 0.70 0.00 0.00 55.95 55.93 1ufn s SER 6 Cb -0.11 0.02 0.00 0.00 -1.71 0.00 0.00 66.02 64.21 1ufn s SER 6 CO 0.02 -0.29 0.00 0.61 1.20 0.00 0.00 173.24 174.79 1ufn n GLY 7 N 0.47 -0.50 3.81 9.45 0.00 -1.26 -4.96 105.19 112.20 1ufn n GLY 7 Ca -0.15 -1.45 -0.25 0.00 0.00 0.00 0.00 46.02 44.17 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 4.59 0.03 1.61 -0.87 -1.26 -5.03 114.94 110.02 1ufn s ASN 8 Ca 0.00 -1.07 0.26 0.00 -1.57 0.00 0.00 52.86 50.48 1ufn s ASN 8 Cb 0.00 -0.24 0.78 0.00 -0.02 0.00 0.00 41.25 41.77 1ufn s ASN 8 CO 0.00 -0.71 1.63 -0.90 -2.57 0.00 0.00 177.10 174.54 1ufn n ASP 9 N -1.43 0.37 -4.59 -1.22 5.75 -1.26 -4.77 116.55 109.40 1ufn n ASP 9 Ca -0.01 0.15 -0.42 0.00 -0.01 0.00 0.00 54.79 54.50 1ufn n ASP 9 Cb 0.64 -0.13 -0.02 0.00 -1.03 0.00 0.00 41.12 40.58 1ufn n ASP 9 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ufn s ALA 10 N -3.03 2.93 0.30 2.12 0.00 -1.26 -4.88 121.76 117.93 1ufn s ALA 10 Ca 0.11 -0.50 0.05 0.00 0.00 0.00 0.00 51.96 51.62 1ufn s ALA 10 Cb 0.17 -4.03 0.69 0.00 0.00 0.00 0.00 23.12 19.96 1ufn s ALA 10 CO 0.63 -2.68 1.78 -0.39 0.00 0.00 0.00 175.76 175.10 1ufn h VAL 11 N 6.38 0.73 -0.87 0.00 -1.51 -1.95 -1.61 116.25 117.41 1ufn h VAL 11 Ca -0.26 -0.27 0.26 0.00 -1.23 0.00 0.00 66.70 65.20 1ufn h VAL 11 Cb 1.09 -0.11 -0.16 0.00 -2.13 0.00 0.00 31.29 29.98 1ufn h VAL 11 CO 1.14 0.14 0.10 -0.90 -1.23 0.00 0.00 177.57 176.83 1ufn n ASP 12 N -4.76 -0.03 -0.25 4.19 5.68 -1.26 1.00 116.55 121.12 1ufn n ASP 12 Ca 0.22 1.48 0.04 0.00 -0.50 0.00 0.00 54.79 56.03 1ufn n ASP 12 Cb 0.53 -0.57 0.13 0.00 -1.14 0.00 0.00 41.12 40.08 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 -0.13 -3.87 2.11 0.04 -1.68 -3.40 116.94 110.01 1ufn h PHE 13 Ca 0.57 0.06 -0.52 0.00 2.80 0.00 0.00 57.97 60.88 1ufn h PHE 13 Cb 1.25 0.17 0.05 0.00 2.20 0.00 0.00 35.95 39.63 1ufn h PHE 13 CO -0.36 -0.25 0.60 0.45 -0.60 0.00 0.00 178.31 178.14 1ufn s SER 14 N -5.20 6.86 0.00 2.17 0.15 0.28 -4.89 113.70 113.07 1ufn s SER 14 Ca -0.14 2.58 0.11 0.00 0.70 0.00 0.00 55.95 59.21 1ufn s SER 14 Cb 0.22 -2.64 0.68 0.00 -1.71 0.00 0.00 66.02 62.57 1ufn s SER 14 CO 0.75 -0.46 1.11 -0.81 1.20 0.00 0.00 173.24 175.03 1ufn n PRO 15 N 0.84 0.49 -4.94 5.44 -0.04 -1.26 -4.65 135.00 130.88 1ufn n PRO 15 Ca -0.00 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.20 1ufn n PRO 15 Cb 0.43 -1.37 -0.16 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 1.53 -0.01 0.52 -4.23 -1.26 -1.22 115.64 108.98 1ufn s THR 16 Ca 0.17 -0.82 0.04 0.00 -1.18 0.00 0.00 61.69 59.90 1ufn s THR 16 Cb 0.08 -1.28 -0.01 0.00 1.34 0.00 0.00 72.50 72.63 1ufn s THR 16 CO 0.13 0.44 -0.12 -0.76 -0.54 0.00 0.00 174.62 173.77 1ufn s LEU 17 N -0.36 2.03 -0.09 4.79 1.43 -0.28 -4.87 118.68 121.33 1ufn s LEU 17 Ca 0.05 -0.22 -0.30 0.00 -1.03 0.00 0.00 54.13 52.64 1ufn s LEU 17 Cb -0.08 -0.60 -0.04 0.00 0.03 0.00 0.00 46.19 45.50 1ufn s LEU 17 CO -0.00 0.14 1.52 -2.16 0.23 0.00 0.00 176.35 176.07 1ufn s PRO 18 N -0.30 4.20 0.06 1.29 0.04 -1.26 -1.10 135.00 137.93 1ufn s PRO 18 Ca 0.04 2.01 0.07 0.00 0.04 0.00 0.00 61.00 63.17 1ufn s PRO 18 Cb -0.05 -3.89 -0.03 0.00 0.04 0.00 0.00 34.50 30.57 1ufn s PRO 18 CO -0.00 -0.79 -0.20 0.14 0.04 0.00 0.00 177.00 176.18 1ufn s VAL 19 N 3.77 1.65 -0.06 -0.36 -7.23 -1.15 -4.33 120.40 112.69 1ufn s VAL 19 Ca 0.67 -1.29 -0.03 0.00 -1.81 0.00 0.00 61.98 59.53 1ufn s VAL 19 Cb -0.30 -1.46 0.04 0.00 0.56 0.00 0.00 36.38 35.23 1ufn s VAL 19 CO 0.25 0.12 0.13 0.42 -0.31 0.00 0.00 175.10 175.70 1ufn s THR 20 N -0.91 -0.05 -0.29 5.32 -4.23 -0.62 -1.85 115.64 113.02 1ufn s THR 20 Ca 0.07 0.18 0.00 0.00 -1.18 0.00 0.00 61.69 60.75 1ufn s THR 20 Cb -0.09 -0.22 0.09 0.00 1.34 0.00 0.00 72.50 73.62 1ufn s THR 20 CO 0.02 0.07 0.05 0.00 -0.54 0.00 0.00 174.62 174.23 1ufn n GLY 22 N 4.73 1.42 1.67 0.00 0.00 -1.26 0.43 105.19 112.18 1ufn n GLY 22 Ca -0.04 0.47 0.07 0.00 0.00 0.00 0.00 46.02 46.52 1ufn n GLY 22 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ufn n LYS 23 N 0.00 4.14 -5.06 1.61 4.76 -1.24 -4.91 118.16 117.46 1ufn n LYS 23 Ca 0.00 -2.80 -0.31 0.00 -2.87 0.00 0.00 58.31 52.33 1ufn n LYS 23 Cb 0.00 -2.06 -0.15 0.00 -1.84 0.00 0.00 35.03 30.99 1ufn n LYS 23 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1ufn s ALA 24 N -2.27 2.34 -0.03 7.82 0.00 0.17 -4.61 121.76 125.18 1ufn s ALA 24 Ca 0.49 -1.13 -0.01 0.00 0.00 0.00 0.00 51.96 51.31 1ufn s ALA 24 Cb 0.35 -0.65 0.02 0.00 0.00 0.00 0.00 23.12 22.84 1ufn s ALA 24 CO 0.18 0.54 0.06 0.15 0.00 0.00 0.00 175.76 176.70 1ufn s LYS 25 N -0.86 0.02 0.00 0.00 1.02 -1.26 -0.12 119.74 118.54 1ufn s LYS 25 Ca 0.11 0.18 0.00 0.00 0.02 0.00 0.00 55.97 56.28 1ufn s LYS 25 Cb -0.10 -0.12 0.00 0.00 -0.52 0.00 0.00 37.83 37.08 1ufn s LYS 25 CO 0.01 -0.10 0.00 0.41 -0.92 0.00 0.00 175.35 174.74 1ufn n GLY 26 N 3.74 3.40 3.34 -3.33 0.00 -0.77 -3.01 105.19 108.55 1ufn n GLY 26 Ca -0.21 -0.33 -0.09 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.60 -0.10 0.00 2.61 2.01 0.16 -2.93 115.64 116.79 1ufn s THR 27 Ca 0.00 0.08 -0.22 0.00 0.31 0.00 0.00 61.69 61.87 1ufn s THR 27 Cb 0.00 -0.69 -0.05 0.00 0.01 0.00 0.00 72.50 71.77 1ufn s THR 27 CO 0.00 0.03 0.64 -0.22 -0.69 0.00 0.00 174.62 174.38 1ufn s LEU 28 N 1.59 4.42 -0.39 4.42 2.96 -0.26 -0.16 118.68 131.25 1ufn s LEU 28 Ca -0.09 1.22 -0.04 0.00 -0.22 0.00 0.00 54.13 55.01 1ufn s LEU 28 Cb -0.08 -2.99 0.10 0.00 0.50 0.00 0.00 46.19 43.71 1ufn s LEU 28 CO -0.14 0.07 0.18 -0.36 -1.32 0.00 0.00 176.35 174.78 1ufn s PHE 29 N -0.11 3.51 0.33 5.38 0.40 -1.06 -1.12 117.98 125.31 1ufn s PHE 29 Ca 0.33 -2.22 0.13 0.00 -0.60 0.00 0.00 56.93 54.56 1ufn s PHE 29 Cb -0.19 -3.03 1.05 0.00 0.51 0.00 0.00 43.02 41.36 1ufn s PHE 29 CO 0.18 -0.93 1.64 1.96 0.70 0.00 0.00 175.22 178.77 1ufn h GLN 30 N 8.09 0.21 -0.74 0.44 4.20 -1.52 1.15 115.11 126.94 1ufn h GLN 30 Ca -0.15 -0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.57 1ufn h GLN 30 Cb 1.05 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.75 1ufn h GLN 30 CO 0.68 0.14 0.49 1.05 -0.67 0.00 0.00 178.83 180.52 1ufn h GLU 31 N 0.22 0.90 0.00 1.46 4.11 -1.94 -0.26 114.58 119.07 1ufn h GLU 31 Ca 0.71 -0.05 -0.07 0.00 0.07 0.00 0.00 59.36 60.02 1ufn h GLU 31 Cb 1.65 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.69 1ufn h GLU 31 CO -0.67 0.59 -0.96 0.87 0.07 0.00 0.00 179.01 178.91 1ufn h LYS 32 N 0.92 0.00 -0.21 1.06 1.57 0.69 -3.35 116.57 117.26 1ufn h LYS 32 Ca 0.29 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.86 1ufn h LYS 32 Cb 0.02 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.33 1ufn h LYS 32 CO -0.08 0.16 -0.68 1.25 -0.57 0.00 0.00 179.45 179.54 1ufn h LEU 33 N 0.00 0.95 -1.60 2.94 5.85 0.80 -3.13 115.31 121.12 1ufn h LEU 33 Ca -0.06 -0.59 0.17 0.00 0.84 0.00 0.00 57.88 58.24 1ufn h LEU 33 Cb 1.25 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.95 1ufn h LEU 33 CO 0.02 1.38 0.53 0.11 -0.34 0.00 0.00 178.44 180.15 1ufn h LYS 34 N 0.58 0.36 -0.15 1.25 1.57 -1.21 -1.21 116.57 117.77 1ufn h LYS 34 Ca -0.03 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1ufn h LYS 34 Cb 1.30 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.52 1ufn h LYS 34 CO 0.14 0.24 0.09 1.96 -0.57 0.00 0.00 179.45 181.31 1ufn h GLN 35 N 0.37 0.19 0.00 3.15 1.08 -1.71 -3.47 115.11 114.72 1ufn h GLN 35 Ca 0.40 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.58 1ufn h GLN 35 Cb 1.00 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 28.39 1ufn h GLN 35 CO -0.12 0.14 0.00 0.41 -0.95 0.00 0.00 178.83 178.31 1ufn n GLY 36 N -1.10 2.35 0.00 3.46 0.00 -0.45 -4.98 105.19 104.47 1ufn n GLY 36 Ca -0.04 -0.08 0.05 0.00 0.00 0.00 0.00 46.02 45.95 1ufn n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ufn n ALA 37 N -0.42 2.27 -0.02 4.61 0.00 -1.26 -2.40 120.51 123.29 1ufn n ALA 37 Ca 0.00 -0.07 0.06 0.00 0.00 0.00 0.00 53.44 53.43 1ufn n ALA 37 Cb 0.00 -1.18 -0.14 0.00 0.00 0.00 0.00 19.45 18.14 1ufn n ALA 37 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1ufn n SER 38 N -0.74 0.86 -4.90 0.00 3.41 -1.26 -3.51 113.62 107.47 1ufn n SER 38 Ca 0.08 0.00 -0.28 0.00 -0.26 0.00 0.00 58.87 58.41 1ufn n SER 38 Cb 0.04 1.64 0.04 0.00 -0.26 0.00 0.00 64.21 65.67 1ufn n SER 38 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1ufn s LYS 39 N -3.08 2.85 -0.51 4.33 1.02 -1.01 -4.63 119.74 118.71 1ufn s LYS 39 Ca -0.07 0.21 -0.28 0.00 0.02 0.00 0.00 55.97 55.85 1ufn s LYS 39 Cb 0.10 -2.15 -0.01 0.00 -0.52 0.00 0.00 37.83 35.26 1ufn s LYS 39 CO 0.74 -0.89 1.65 0.15 -0.92 0.00 0.00 175.35 176.08 1ufn s LYS 40 N -5.18 3.12 -0.01 1.68 -0.14 -1.26 -3.90 119.74 114.04 1ufn s LYS 40 Ca 0.56 0.77 0.03 0.00 -1.36 0.00 0.00 55.97 55.97 1ufn s LYS 40 Cb -0.11 -4.22 -0.04 0.00 -1.68 0.00 0.00 37.83 31.79 1ufn s LYS 40 CO 0.48 -2.14 0.04 0.00 -0.76 0.00 0.00 175.35 172.97 1ufn s ILE 42 N -2.14 4.94 -0.30 0.00 1.01 -0.85 -2.56 121.20 121.30 1ufn s ILE 42 Ca -0.01 0.76 -0.14 0.00 0.00 0.00 0.00 60.65 61.26 1ufn s ILE 42 Cb 0.01 -4.00 -0.03 0.00 0.01 0.00 0.00 42.46 38.45 1ufn s ILE 42 CO 0.11 -0.17 0.34 -1.58 0.00 0.00 0.00 174.94 173.64 1ufn s GLN 43 N 2.60 3.82 1.05 2.79 0.74 0.78 0.11 119.66 131.54 1ufn s GLN 43 Ca 0.24 -0.21 -0.16 0.00 0.05 0.00 0.00 55.36 55.29 1ufn s GLN 43 Cb -0.15 -3.72 0.22 0.00 1.10 0.00 0.00 33.01 30.46 1ufn s GLN 43 CO 0.12 -0.36 1.18 0.54 -0.55 0.00 0.00 175.29 176.22 1ufn s ASN 44 N 1.70 2.33 0.61 6.67 4.22 -0.76 0.40 114.94 130.10 1ufn s ASN 44 Ca 0.12 0.65 0.33 0.00 -2.14 0.00 0.00 52.86 51.82 1ufn s ASN 44 Cb -0.16 -0.95 1.97 0.00 1.28 0.00 0.00 41.25 43.39 1ufn s ASN 44 CO 0.11 -3.25 2.28 -0.33 -2.04 0.00 0.00 177.10 173.87 1ufn h GLU 45 N -1.99 0.00 -0.16 3.55 4.39 -1.87 0.17 114.58 118.68 1ufn h GLU 45 Ca -0.47 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.23 1ufn h GLU 45 Cb 1.29 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.94 1ufn h GLU 45 CO 0.44 0.00 0.00 0.00 -1.16 0.00 0.00 179.01 178.29 1ufn n ALA 46 N -2.27 2.52 0.00 3.43 0.00 -1.26 -4.88 120.51 118.05 1ufn n ALA 46 Ca -0.03 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.00 1ufn n ALA 46 Cb 0.08 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.43 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 0.99 2.93 3.64 0.00 0.00 0.61 -4.96 105.19 108.40 1ufn n GLY 47 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.20 6.53 0.63 1.61 1.01 -1.26 -4.58 116.67 118.41 1ufn s ASP 48 Ca 0.00 1.88 -0.16 0.00 0.71 0.00 0.00 52.55 54.99 1ufn s ASP 48 Cb 0.00 -2.53 -0.02 0.00 1.01 0.00 0.00 42.92 41.38 1ufn s ASP 48 CO 0.00 -1.09 1.09 0.26 0.21 0.00 0.00 175.17 175.65 1ufn s TRP 49 N 4.62 2.76 -0.04 4.23 0.52 -1.26 -1.84 118.94 127.93 1ufn s TRP 49 Ca 0.71 1.54 -0.06 0.00 0.02 0.00 0.00 56.10 58.31 1ufn s TRP 49 Cb -0.28 -3.12 0.01 0.00 -1.15 0.00 0.00 33.47 28.93 1ufn s TRP 49 CO 0.28 -1.47 0.14 -0.51 0.02 0.00 0.00 176.95 175.41 1ufn s LEU 50 N -4.64 1.49 0.51 2.99 1.43 0.30 -4.91 118.68 115.85 1ufn s LEU 50 Ca 0.66 0.14 -0.21 0.00 -1.03 0.00 0.00 54.13 53.70 1ufn s LEU 50 Cb -0.19 0.54 -0.06 0.00 0.03 0.00 0.00 46.19 46.51 1ufn s LEU 50 CO 0.39 -0.14 1.18 0.42 0.23 0.00 0.00 176.35 178.42 1ufn s THR 51 N -0.35 2.97 0.58 5.49 -4.23 -1.26 -2.00 115.64 116.84 1ufn s THR 51 Ca -0.04 0.67 0.29 0.00 -1.18 0.00 0.00 61.69 61.43 1ufn s THR 51 Cb -0.03 -3.31 0.42 0.00 1.34 0.00 0.00 72.50 70.92 1ufn s THR 51 CO 0.01 -0.07 1.28 0.52 -0.54 0.00 0.00 174.62 175.82 1ufn n VAL 52 N -0.93 0.00 -0.10 2.29 0.31 -1.23 0.32 118.33 118.99 1ufn n VAL 52 Ca 0.10 1.24 -0.19 0.00 -0.01 0.00 0.00 64.34 65.48 1ufn n VAL 52 Cb 0.49 -2.20 -0.09 0.00 -0.91 0.00 0.00 33.84 31.13 1ufn n VAL 52 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1ufn n LYS 53 N -3.26 0.54 -0.18 5.55 0.00 -1.26 -4.14 118.16 115.42 1ufn n LYS 53 Ca 0.25 0.55 -0.04 0.00 0.00 0.00 0.00 58.31 59.07 1ufn n LYS 53 Cb 1.54 -1.72 0.03 0.00 0.00 0.00 0.00 35.03 34.88 1ufn n LYS 53 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 1ufn h GLU 54 N -1.00 -0.10 -0.86 1.64 5.08 -0.46 0.58 114.58 119.47 1ufn h GLU 54 Ca -0.30 0.01 0.22 0.00 -1.00 0.00 0.00 59.36 58.29 1ufn h GLU 54 Cb 1.17 0.02 -0.13 0.00 0.50 0.00 0.00 28.75 30.31 1ufn h GLU 54 CO -0.18 -0.07 0.24 0.35 -1.00 0.00 0.00 179.01 178.35 1ufn h PHE 55 N -0.11 0.36 0.45 4.33 3.57 -1.43 -0.69 116.94 123.42 1ufn h PHE 55 Ca 0.25 0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.77 1ufn h PHE 55 Cb 0.49 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.21 1ufn h PHE 55 CO -0.54 -0.17 -0.22 -0.07 -2.23 0.00 0.00 178.31 175.09 1ufn h LEU 56 N 0.24 -0.51 -1.06 0.59 3.38 -1.06 -2.73 115.31 114.16 1ufn h LEU 56 Ca 0.53 -0.01 0.27 0.00 0.09 0.00 0.00 57.88 58.75 1ufn h LEU 56 Cb 1.03 0.13 -0.13 0.00 0.09 0.00 0.00 40.66 41.79 1ufn h LEU 56 CO -0.62 -0.32 0.61 0.78 0.09 0.00 0.00 178.44 178.98 1ufn h ASN 57 N -0.66 0.61 -0.95 -0.43 2.35 -0.61 0.47 115.58 116.36 1ufn h ASN 57 Ca -0.06 0.14 0.10 0.00 -0.55 0.00 0.00 56.30 55.93 1ufn h ASN 57 Cb 0.49 0.05 -0.07 0.00 0.05 0.00 0.00 38.32 38.84 1ufn h ASN 57 CO 0.10 0.05 0.61 -0.33 -1.65 0.00 0.00 177.43 176.21 1ufn h GLU 58 N 0.50 0.94 0.11 0.81 4.39 -1.01 -2.64 114.58 117.68 1ufn h GLU 58 Ca 0.66 -0.06 -0.32 0.00 0.34 0.00 0.00 59.36 59.98 1ufn h GLU 58 Cb 1.37 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 29.80 1ufn h GLU 58 CO -0.48 0.62 -1.70 0.78 -1.16 0.00 0.00 179.01 177.08 1ufn h GLY 59 N 0.97 0.26 0.00 -3.84 0.00 -0.19 -3.41 103.07 96.87 1ufn h GLY 59 Ca 0.45 -0.67 0.00 0.00 0.00 0.00 0.00 47.33 47.11 1ufn h GLY 59 CO -0.21 0.58 0.00 0.61 0.00 0.00 0.00 176.54 177.53 1ufn n GLY 60 N 1.75 1.47 0.17 4.60 0.00 0.66 -3.71 105.19 110.12 1ufn n GLY 60 Ca -0.21 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.84 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 2.63 -0.34 1.61 5.12 -1.07 -4.73 116.66 119.77 1ufn n ARG 61 Ca 0.00 -1.89 0.22 0.00 -1.93 0.00 0.00 57.85 54.25 1ufn n ARG 61 Cb 0.00 -1.19 0.47 0.00 -1.16 0.00 0.00 32.46 30.57 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 2.07 -0.96 7.54 0.00 -1.88 0.27 119.26 126.73 1ufn h ALA 62 Ca 0.00 0.11 0.10 0.00 0.00 0.00 0.00 54.91 55.12 1ufn h ALA 62 Cb 0.69 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.46 1ufn h ALA 62 CO 0.01 -0.54 0.60 1.79 0.00 0.00 0.00 179.25 181.11 1ufn h THR 63 N 0.43 0.96 -4.06 0.00 1.35 -1.97 -3.42 112.91 106.20 1ufn h THR 63 Ca 0.65 -0.34 -0.52 0.00 -0.55 0.00 0.00 66.41 65.64 1ufn h THR 63 Cb 1.50 -0.12 0.10 0.00 -1.73 0.00 0.00 68.15 67.90 1ufn h THR 63 CO -0.41 0.18 0.50 -0.44 -0.25 0.00 0.00 175.52 175.10 1ufn s SER 64 N -5.72 5.52 -0.19 5.36 0.01 0.95 -4.99 113.70 114.65 1ufn s SER 64 Ca -0.12 2.43 -0.15 0.00 1.31 0.00 0.00 55.95 59.41 1ufn s SER 64 Cb 0.21 -2.61 -0.10 0.00 0.21 0.00 0.00 66.02 63.73 1ufn s SER 64 CO 0.80 -1.37 -0.08 2.29 0.41 0.00 0.00 173.24 175.29 1ufn n LYS 65 N -1.15 0.52 -2.10 12.44 2.85 -1.26 -4.84 118.16 124.62 1ufn n LYS 65 Ca 0.11 0.48 -0.43 0.00 -1.05 0.00 0.00 58.31 57.42 1ufn n LYS 65 Cb 0.48 -1.66 -0.03 0.00 -0.65 0.00 0.00 35.03 33.18 1ufn n LYS 65 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1ufn s ASP 66 N -6.39 6.09 0.19 -5.58 1.01 -1.26 -4.86 116.67 105.87 1ufn s ASP 66 Ca -0.25 1.26 0.04 0.00 0.71 0.00 0.00 52.55 54.32 1ufn s ASP 66 Cb 0.05 -2.53 0.06 0.00 1.01 0.00 0.00 42.92 41.51 1ufn s ASP 66 CO 0.41 -1.55 1.43 4.11 0.21 0.00 0.00 175.17 179.78 1ufn h TRP 67 N 11.94 0.24 0.00 4.23 5.08 -1.91 -3.02 115.95 132.50 1ufn h TRP 67 Ca -0.32 -0.12 -0.00 0.00 1.08 0.00 0.00 58.89 59.52 1ufn h TRP 67 Cb 1.15 -0.03 -0.00 0.00 -3.00 0.00 0.00 29.16 27.28 1ufn h TRP 67 CO 0.95 0.90 -0.02 0.87 -1.28 0.00 0.00 178.44 179.86 1ufn h LYS 68 N 0.10 0.00 0.07 0.12 1.57 -1.89 -0.96 116.57 115.58 1ufn h LYS 68 Ca -0.03 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.53 1ufn h LYS 68 Cb 1.41 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.71 1ufn h LYS 68 CO 0.12 0.02 -1.11 0.78 -0.57 0.00 0.00 179.45 178.69 1ufn h GLY 69 N 1.10 0.17 1.98 3.86 0.00 -1.94 -2.94 103.07 105.30 1ufn h GLY 69 Ca -0.00 -0.44 -0.10 0.00 0.00 0.00 0.00 47.33 46.79 1ufn h GLY 69 CO 0.00 0.38 -0.47 -0.39 0.00 0.00 0.00 176.54 176.06 1ufn h VAL 70 N -0.58 1.34 -3.35 4.60 -1.51 -1.45 -3.43 116.25 111.87 1ufn h VAL 70 Ca -0.25 -1.63 -0.57 0.00 -1.23 0.00 0.00 66.70 63.02 1ufn h VAL 70 Cb 1.52 1.86 -0.07 0.00 -2.13 0.00 0.00 31.29 32.48 1ufn h VAL 70 CO -0.01 0.47 0.21 -0.63 -1.23 0.00 0.00 177.57 176.38 1ufn s ILE 71 N -3.96 4.98 -0.06 7.19 1.01 -0.38 -4.53 121.20 125.44 1ufn s ILE 71 Ca -0.02 1.48 0.04 0.00 0.00 0.00 0.00 60.65 62.14 1ufn s ILE 71 Cb 0.14 -4.06 -0.02 0.00 0.01 0.00 0.00 42.46 38.52 1ufn s ILE 71 CO 0.74 0.14 -0.17 -0.13 0.00 0.00 0.00 174.94 175.53 1ufn s ARG 72 N 1.52 2.66 -0.25 2.79 0.52 -0.20 -3.04 118.95 122.94 1ufn s ARG 72 Ca 0.36 -0.75 0.02 0.00 -0.52 0.00 0.00 55.73 54.85 1ufn s ARG 72 Cb -0.17 -2.36 0.06 0.00 0.52 0.00 0.00 34.95 33.00 1ufn s ARG 72 CO 0.15 0.49 -0.09 0.00 0.02 0.00 0.00 175.30 175.87 1ufn n ASN 74 N 4.49 -5.15 0.00 0.00 3.02 -1.26 -1.50 115.26 114.86 1ufn n ASN 74 Ca -0.13 -0.11 0.00 0.00 -0.03 0.00 0.00 54.58 54.31 1ufn n ASN 74 Cb 0.43 -4.14 0.00 0.00 -0.61 0.00 0.00 39.78 35.46 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 -1.17 1.07 3.09 7.41 0.00 -1.26 -5.02 105.19 109.31 1ufn n GLY 75 Ca -0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.29 2.49 0.55 1.61 8.01 -0.57 -5.08 118.70 125.42 1ufn s GLU 76 Ca 0.00 -0.66 -0.21 0.00 0.01 0.00 0.00 54.97 54.11 1ufn s GLU 76 Cb 0.00 -2.09 -0.05 0.00 -4.31 0.00 0.00 34.13 27.68 1ufn s GLU 76 CO 0.00 -0.06 1.28 0.25 0.01 0.00 0.00 175.26 176.74 1ufn n THR 77 N 4.20 3.75 -0.23 3.63 -2.24 -1.26 0.09 114.28 122.22 1ufn n THR 77 Ca -0.19 -0.50 0.01 0.00 -2.27 0.00 0.00 64.05 61.10 1ufn n THR 77 Cb 0.51 -1.56 0.08 0.00 -2.10 0.00 0.00 70.33 67.27 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 1.30 -0.56 -0.59 3.22 3.38 -1.43 0.65 115.31 121.28 1ufn h LEU 78 Ca -0.50 0.20 0.11 0.00 0.09 0.00 0.00 57.88 57.78 1ufn h LEU 78 Cb 1.31 0.40 -0.08 0.00 0.09 0.00 0.00 40.66 42.38 1ufn h LEU 78 CO 0.56 -0.21 0.13 -0.09 0.09 0.00 0.00 178.44 178.92 1ufn h ARG 79 N 0.02 0.25 -0.72 1.13 2.43 -1.88 -0.64 114.38 114.97 1ufn h ARG 79 Ca 0.33 -0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.56 1ufn h ARG 79 Cb 0.52 -0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 29.95 1ufn h ARG 79 CO -0.67 0.17 0.40 1.25 -1.51 0.00 0.00 179.97 179.60 1ufn h HIS 80 N 0.26 0.73 -0.63 2.20 2.76 -1.22 -0.82 115.15 118.42 1ufn h HIS 80 Ca 0.31 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.49 1ufn h HIS 80 Cb 0.45 -0.22 -0.03 0.00 1.55 0.00 0.00 27.41 29.16 1ufn h HIS 80 CO -0.24 0.33 0.32 -0.07 -1.30 0.00 0.00 177.93 176.96 1ufn h LEU 81 N 0.71 0.81 -0.40 0.26 3.38 -0.57 -2.53 115.31 116.97 1ufn h LEU 81 Ca 0.33 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 1ufn h LEU 81 Cb 0.25 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1ufn h LEU 81 CO -0.21 0.70 0.20 -0.08 0.09 0.00 0.00 178.44 179.14 1ufn h GLU 82 N 0.86 0.58 -0.93 1.13 4.81 -0.47 0.38 114.58 120.94 1ufn h GLU 82 Ca 0.22 -0.08 0.09 0.00 -0.13 0.00 0.00 59.36 59.46 1ufn h GLU 82 Cb 0.09 -0.11 -0.07 0.00 0.63 0.00 0.00 28.75 29.30 1ufn h GLU 82 CO -0.03 0.50 0.60 1.96 -0.73 0.00 0.00 179.01 181.31 1ufn h GLN 83 N 0.51 0.95 -0.24 1.92 1.08 -0.95 0.26 115.11 118.64 1ufn h GLN 83 Ca 0.14 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.28 1ufn h GLN 83 Cb 0.11 -0.21 0.00 0.00 -0.05 0.00 0.00 27.48 27.32 1ufn h GLN 83 CO -0.02 0.63 0.00 1.63 -0.95 0.00 0.00 178.83 180.12 1ufn n LYS 84 N -4.53 1.33 -2.66 1.46 5.02 -0.97 -4.86 118.16 112.94 1ufn n LYS 84 Ca 0.16 -0.44 -0.18 0.00 -2.02 0.00 0.00 58.31 55.83 1ufn n LYS 84 Cb 0.28 -1.17 0.01 0.00 -0.02 0.00 0.00 35.03 34.14 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 0.60 -0.32 0.11 0.72 0.00 0.92 -4.90 105.19 102.32 1ufn n GLY 85 Ca 0.04 -0.09 -0.14 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.00 2.27 -4.64 0.99 4.77 0.13 -4.98 117.00 112.55 1ufn n LEU 86 Ca -0.14 -0.09 -0.32 0.00 -0.03 0.00 0.00 56.01 55.43 1ufn n LEU 86 Cb 0.62 -0.51 -0.09 0.00 -2.33 0.00 0.00 43.42 41.11 1ufn n LEU 86 CO 0.33 0.78 -0.35 -0.22 -1.33 0.00 0.00 177.39 176.60 1ufn s LEU 87 N -6.11 3.34 -0.11 2.23 2.96 -1.03 -4.84 118.68 115.13 1ufn s LEU 87 Ca -0.26 -0.09 0.02 0.00 -0.22 0.00 0.00 54.13 53.58 1ufn s LEU 87 Cb 0.07 -1.93 -0.24 0.00 0.50 0.00 0.00 46.19 44.58 1ufn s LEU 87 CO 0.58 0.27 0.42 2.22 -1.32 0.00 0.00 176.35 178.52 1ufn n PHE 88 N 1.38 1.03 -4.00 5.38 -1.74 -1.26 -4.26 117.46 113.99 1ufn n PHE 88 Ca -0.15 0.27 -0.29 0.00 -0.56 0.00 0.00 57.45 56.73 1ufn n PHE 88 Cb 0.53 -1.15 -0.01 0.00 1.52 0.00 0.00 39.48 40.36 1ufn n PHE 88 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 1ufn n SER 89 N -3.28 -1.84 -0.35 5.98 2.88 -1.26 -4.57 113.62 111.19 1ufn n SER 89 Ca -0.28 -0.96 0.01 0.00 -1.33 0.00 0.00 58.87 56.31 1ufn n SER 89 Cb 1.05 -3.18 -0.00 0.00 -0.75 0.00 0.00 64.21 61.33 1ufn n SER 89 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ufn n GLY 90 N -1.75 -3.03 0.06 0.46 0.00 -1.26 -4.25 105.19 95.42 1ufn n GLY 90 Ca -0.16 -1.23 -0.13 0.00 0.00 0.00 0.00 46.02 44.51 1ufn n GLY 90 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ufn h PRO 91 N -0.03 0.03 0.17 1.61 0.13 -1.93 -3.34 132.00 128.65 1ufn h PRO 91 Ca -0.01 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 65.10 1ufn h PRO 91 Cb 0.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.37 1ufn h PRO 91 CO 0.00 0.51 -0.08 0.66 -0.23 0.00 0.00 178.00 178.86 1ufn h SER 92 N -0.44 -0.20 -3.10 1.44 4.64 -1.94 -3.43 113.55 110.51 1ufn h SER 92 Ca 0.00 -0.31 -0.53 0.00 -0.47 0.00 0.00 61.79 60.48 1ufn h SER 92 Cb 0.50 0.05 0.06 0.00 -0.31 0.00 0.00 62.40 62.71 1ufn h SER 92 CO 0.00 0.25 0.87 -0.44 -0.87 0.00 0.00 176.83 176.65 1ufn s SER 93 N -5.37 6.51 0.00 4.97 0.01 -1.25 -5.20 113.70 113.36 1ufn s SER 93 Ca -0.14 2.77 0.00 0.00 1.31 0.00 0.00 55.95 59.89 1ufn s SER 93 Cb 0.02 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.63 1ufn s SER 93 CO 0.56 -0.84 0.00 0.61 0.41 0.00 0.00 173.24 173.98