#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 4.64 -0.15 1.61 1.04 -1.26 -5.10 113.70 114.48 1ufn s SER 2 Ca 0.00 -0.43 -0.05 0.00 0.48 0.00 0.00 55.95 55.95 1ufn s SER 2 Cb 0.00 -0.05 -0.03 0.00 0.10 0.00 0.00 66.02 66.03 1ufn s SER 2 CO 0.00 -1.65 0.02 -0.94 0.98 0.00 0.00 173.24 171.65 1ufn s SER 3 N -4.68 5.31 0.00 7.02 1.04 -1.26 -4.78 113.70 116.35 1ufn s SER 3 Ca 0.64 0.05 0.00 0.00 0.48 0.00 0.00 55.95 57.12 1ufn s SER 3 Cb -0.06 -1.80 0.00 0.00 0.10 0.00 0.00 66.02 64.26 1ufn s SER 3 CO 0.42 0.23 0.00 0.61 0.98 0.00 0.00 173.24 175.48 1ufn n GLY 4 N 3.16 -0.36 0.08 7.32 0.00 -1.26 -4.98 105.19 109.14 1ufn n GLY 4 Ca -0.17 0.30 -0.14 0.00 0.00 0.00 0.00 46.02 46.01 1ufn n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1ufn h SER 5 N 0.00 0.10 -3.91 1.61 0.87 -2.05 -3.44 113.55 106.73 1ufn h SER 5 Ca 0.00 -0.65 -0.51 0.00 -1.23 0.00 0.00 61.79 59.40 1ufn h SER 5 Cb 0.00 -0.03 0.05 0.00 -0.44 0.00 0.00 62.40 61.98 1ufn h SER 5 CO 0.00 0.73 0.54 -0.44 -0.53 0.00 0.00 176.83 177.13 1ufn s SER 6 N -5.99 6.69 0.00 6.23 0.01 -1.26 -5.00 113.70 114.38 1ufn s SER 6 Ca -0.16 2.43 0.00 0.00 1.31 0.00 0.00 55.95 59.53 1ufn s SER 6 Cb 0.01 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.61 1ufn s SER 6 CO 0.70 -0.57 0.00 0.61 0.41 0.00 0.00 173.24 174.40 1ufn n GLY 7 N 0.77 0.11 0.37 3.44 0.00 -1.26 -4.92 105.19 103.68 1ufn n GLY 7 Ca 0.02 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.88 1ufn n GLY 7 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1ufn h ASN 8 N 0.00 -0.75 -5.11 1.61 2.35 -2.02 -3.48 115.58 108.18 1ufn h ASN 8 Ca 0.00 -0.01 0.10 0.00 -0.55 0.00 0.00 56.30 55.83 1ufn h ASN 8 Cb 0.00 0.19 -0.05 0.00 0.05 0.00 0.00 38.32 38.51 1ufn h ASN 8 CO 0.00 -0.42 0.32 1.51 -1.65 0.00 0.00 177.43 177.20 1ufn s ASP 9 N -4.51 -0.20 1.36 5.81 1.47 -1.26 -5.17 116.67 114.16 1ufn s ASP 9 Ca -0.16 -0.61 -0.19 0.00 1.18 0.00 0.00 52.55 52.77 1ufn s ASP 9 Cb 0.02 0.66 0.35 0.00 -0.34 0.00 0.00 42.92 43.61 1ufn s ASP 9 CO 0.51 -1.24 0.93 0.00 0.68 0.00 0.00 175.17 176.04 1ufn n ALA 10 N -0.48 -4.27 0.07 2.11 0.00 -1.26 -4.95 120.51 111.73 1ufn n ALA 10 Ca -0.05 -1.64 0.01 0.00 0.00 0.00 0.00 53.44 51.76 1ufn n ALA 10 Cb 0.60 -1.77 -0.04 0.00 0.00 0.00 0.00 19.45 18.23 1ufn n ALA 10 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1ufn h VAL 11 N -3.25 0.64 0.00 0.00 -1.51 -2.03 -3.29 116.25 106.81 1ufn h VAL 11 Ca -0.51 -2.08 0.00 0.00 -1.23 0.00 0.00 66.70 62.88 1ufn h VAL 11 Cb 1.34 2.17 0.00 0.00 -2.13 0.00 0.00 31.29 32.67 1ufn h VAL 11 CO 0.36 0.37 0.00 0.47 -1.23 0.00 0.00 177.57 177.54 1ufn n ASP 12 N -3.01 0.53 0.20 4.19 8.00 -1.26 -0.97 116.55 124.23 1ufn n ASP 12 Ca -0.05 0.74 0.08 0.00 0.71 0.00 0.00 54.79 56.27 1ufn n ASP 12 Cb 0.80 -0.81 0.34 0.00 -0.02 0.00 0.00 41.12 41.43 1ufn n ASP 12 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 1ufn h PHE 13 N 0.00 0.00 0.70 1.24 0.04 -1.86 -3.12 116.94 113.94 1ufn h PHE 13 Ca 0.00 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.74 1ufn h PHE 13 Cb 0.04 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.19 1ufn h PHE 13 CO 0.00 0.29 -0.34 1.03 -0.60 0.00 0.00 178.31 178.69 1ufn h SER 14 N 0.00 -0.80 0.00 2.17 0.87 -1.30 -2.98 113.55 111.51 1ufn h SER 14 Ca -0.00 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 1ufn h SER 14 Cb 0.91 0.21 0.00 0.00 -0.44 0.00 0.00 62.40 63.07 1ufn h SER 14 CO 0.04 -0.42 0.00 -0.81 -0.53 0.00 0.00 176.83 175.11 1ufn n PRO 15 N -5.40 0.49 -4.29 2.24 -0.04 -1.24 -4.68 135.00 122.07 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 0.37 -1.32 -0.13 0.00 -0.04 0.00 0.00 33.50 32.39 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 1.27 0.00 0.52 -4.23 -1.13 -1.14 115.64 108.94 1ufn s THR 16 Ca 0.15 -1.24 0.02 0.00 -1.18 0.00 0.00 61.69 59.44 1ufn s THR 16 Cb 0.07 -1.17 -0.01 0.00 1.34 0.00 0.00 72.50 72.73 1ufn s THR 16 CO 0.12 -0.08 -0.05 -0.76 -0.54 0.00 0.00 174.62 173.30 1ufn s LEU 17 N -1.52 2.03 -0.07 4.79 1.43 0.38 -4.77 118.68 120.94 1ufn s LEU 17 Ca 0.02 -0.13 -0.30 0.00 -1.03 0.00 0.00 54.13 52.69 1ufn s LEU 17 Cb -0.09 -0.24 -0.04 0.00 0.03 0.00 0.00 46.19 45.84 1ufn s LEU 17 CO 0.02 0.04 1.51 -2.16 0.23 0.00 0.00 176.35 175.99 1ufn s PRO 18 N -0.24 4.21 0.15 1.29 0.04 -1.26 -0.44 135.00 138.75 1ufn s PRO 18 Ca 0.01 2.01 0.10 0.00 0.04 0.00 0.00 61.00 63.16 1ufn s PRO 18 Cb -0.03 -3.86 -0.04 0.00 0.04 0.00 0.00 34.50 30.62 1ufn s PRO 18 CO -0.00 -0.77 -0.24 0.14 0.04 0.00 0.00 177.00 176.17 1ufn s VAL 19 N 3.62 2.12 -0.13 -0.36 -7.23 -0.99 -4.09 120.40 113.33 1ufn s VAL 19 Ca 0.67 -1.82 -0.07 0.00 -1.81 0.00 0.00 61.98 58.95 1ufn s VAL 19 Cb -0.30 -1.93 0.05 0.00 0.56 0.00 0.00 36.38 34.77 1ufn s VAL 19 CO 0.25 -0.05 0.31 0.42 -0.31 0.00 0.00 175.10 175.72 1ufn s THR 20 N -1.39 -0.04 -0.25 5.32 -4.23 0.28 -1.77 115.64 113.56 1ufn s THR 20 Ca 0.15 0.13 0.00 0.00 -1.18 0.00 0.00 61.69 60.79 1ufn s THR 20 Cb -0.09 -0.48 0.07 0.00 1.34 0.00 0.00 72.50 73.34 1ufn s THR 20 CO 0.07 0.05 -0.01 0.00 -0.54 0.00 0.00 174.62 174.19 1ufn n GLY 22 N 4.70 1.11 1.21 0.00 0.00 -1.26 0.07 105.19 111.01 1ufn n GLY 22 Ca -0.09 0.49 0.09 0.00 0.00 0.00 0.00 46.02 46.51 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 0.00 3.17 -4.12 1.61 2.85 -1.26 -4.97 118.16 115.45 1ufn n LYS 23 Ca 0.00 -2.61 -0.26 0.00 -1.05 0.00 0.00 58.31 54.39 1ufn n LYS 23 Cb 0.00 -1.64 -0.06 0.00 -0.65 0.00 0.00 35.03 32.68 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 -1.51 3.47 -0.08 0.58 0.00 0.11 -4.92 121.76 119.42 1ufn s ALA 24 Ca 0.42 -1.26 -0.05 0.00 0.00 0.00 0.00 51.96 51.07 1ufn s ALA 24 Cb 0.26 -1.26 0.03 0.00 0.00 0.00 0.00 23.12 22.15 1ufn s ALA 24 CO 0.23 0.49 0.20 0.15 0.00 0.00 0.00 175.76 176.83 1ufn s LYS 25 N -3.08 0.19 0.00 0.00 1.02 -1.26 -1.85 119.74 114.75 1ufn s LYS 25 Ca 0.30 0.39 0.00 0.00 0.02 0.00 0.00 55.97 56.68 1ufn s LYS 25 Cb -0.10 -0.05 0.00 0.00 -0.52 0.00 0.00 37.83 37.17 1ufn s LYS 25 CO 0.22 -0.11 0.00 0.41 -0.92 0.00 0.00 175.35 174.95 1ufn n GLY 26 N 3.74 3.20 3.16 -3.33 0.00 -0.73 -2.40 105.19 108.84 1ufn n GLY 26 Ca -0.21 -0.58 -0.12 0.00 0.00 0.00 0.00 46.02 45.12 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 -1.81 -0.03 -0.04 2.61 2.01 0.24 -2.36 115.64 116.26 1ufn s THR 27 Ca 0.00 0.11 -0.18 0.00 0.31 0.00 0.00 61.69 61.93 1ufn s THR 27 Cb 0.00 -0.49 -0.05 0.00 0.01 0.00 0.00 72.50 71.97 1ufn s THR 27 CO 0.00 0.05 0.49 -0.22 -0.69 0.00 0.00 174.62 174.25 1ufn s LEU 28 N 1.23 4.39 -0.40 4.42 2.96 0.41 -0.19 118.68 131.51 1ufn s LEU 28 Ca -0.09 0.98 -0.04 0.00 -0.22 0.00 0.00 54.13 54.76 1ufn s LEU 28 Cb -0.09 -2.73 0.10 0.00 0.50 0.00 0.00 46.19 43.96 1ufn s LEU 28 CO -0.10 0.15 0.19 -0.36 -1.32 0.00 0.00 176.35 174.91 1ufn s PHE 29 N -0.23 3.48 0.29 5.38 0.40 -1.10 -0.47 117.98 125.74 1ufn s PHE 29 Ca 0.27 -2.14 -0.02 0.00 -0.60 0.00 0.00 56.93 54.44 1ufn s PHE 29 Cb -0.17 -3.03 0.64 0.00 0.51 0.00 0.00 43.02 40.97 1ufn s PHE 29 CO 0.14 -0.93 1.59 1.96 0.70 0.00 0.00 175.22 178.68 1ufn h GLN 30 N 8.13 0.04 -0.85 0.44 4.20 -1.50 1.25 115.11 126.82 1ufn h GLN 30 Ca -0.17 -0.00 0.15 0.00 0.06 0.00 0.00 58.65 58.69 1ufn h GLN 30 Cb 1.06 -0.01 -0.06 0.00 0.30 0.00 0.00 27.48 28.77 1ufn h GLN 30 CO 0.69 0.02 0.56 1.05 -0.67 0.00 0.00 178.83 180.49 1ufn h GLU 31 N 0.04 0.57 0.00 1.46 9.09 -1.94 0.50 114.58 124.30 1ufn h GLU 31 Ca 0.54 -0.03 0.00 0.00 0.05 0.00 0.00 59.36 59.91 1ufn h GLU 31 Cb 1.04 -0.13 0.00 0.00 -1.65 0.00 0.00 28.75 28.01 1ufn h GLU 31 CO -0.87 0.38 -0.57 1.63 0.05 0.00 0.00 179.01 179.63 1ufn n LYS 32 N -4.54 0.24 -0.00 1.06 5.02 0.40 -3.87 118.16 116.48 1ufn n LYS 32 Ca 0.17 0.08 -0.11 0.00 -2.02 0.00 0.00 58.31 56.42 1ufn n LYS 32 Cb 0.51 -1.66 -0.14 0.00 -0.02 0.00 0.00 35.03 33.72 1ufn n LYS 32 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1ufn h LEU 33 N 0.00 0.09 -0.28 -0.35 5.85 0.27 -3.38 115.31 117.51 1ufn h LEU 33 Ca 0.00 -0.18 0.07 0.00 0.84 0.00 0.00 57.88 58.61 1ufn h LEU 33 Cb 0.70 -0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.64 1ufn h LEU 33 CO 0.00 1.16 -0.18 0.11 -0.34 0.00 0.00 178.44 179.19 1ufn h LYS 34 N 0.02 -0.15 -0.73 1.25 1.57 -0.31 -1.56 116.57 116.66 1ufn h LYS 34 Ca -0.27 0.01 0.16 0.00 -1.87 0.00 0.00 60.65 58.68 1ufn h LYS 34 Cb 1.99 0.03 -0.11 0.00 0.08 0.00 0.00 32.23 34.23 1ufn h LYS 34 CO 0.09 -0.10 0.16 1.96 -0.57 0.00 0.00 179.45 180.99 1ufn h GLN 35 N -0.15 0.24 0.00 3.15 4.20 -1.74 -3.46 115.11 117.35 1ufn h GLN 35 Ca 0.15 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.85 1ufn h GLN 35 Cb 0.38 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.11 1ufn h GLN 35 CO -0.37 0.16 0.00 0.41 -0.67 0.00 0.00 178.83 178.36 1ufn n GLY 36 N -1.36 1.97 0.27 3.46 0.00 -0.59 -4.98 105.19 103.97 1ufn n GLY 36 Ca 0.14 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.45 2.52 -0.06 4.61 0.00 -1.26 -3.14 120.51 122.73 1ufn n ALA 37 Ca 0.00 -0.04 -0.05 0.00 0.00 0.00 0.00 53.44 53.34 1ufn n ALA 37 Cb 0.00 -1.00 -0.11 0.00 0.00 0.00 0.00 19.45 18.34 1ufn n ALA 37 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1ufn n SER 38 N -0.23 1.49 -4.79 0.00 7.64 -1.26 -3.66 113.62 112.80 1ufn n SER 38 Ca 0.01 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.54 1ufn n SER 38 Cb 0.14 0.95 -0.04 0.00 -1.01 0.00 0.00 64.21 64.24 1ufn n SER 38 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1ufn s LYS 39 N -2.43 3.94 -0.36 1.43 3.01 -1.19 -4.62 119.74 119.54 1ufn s LYS 39 Ca -0.07 1.39 -0.27 0.00 -1.01 0.00 0.00 55.97 56.01 1ufn s LYS 39 Cb 0.05 -2.23 -0.05 0.00 -1.01 0.00 0.00 37.83 34.59 1ufn s LYS 39 CO 0.59 -0.31 2.20 0.15 0.51 0.00 0.00 175.35 178.49 1ufn s LYS 40 N -3.01 2.76 -0.02 1.68 -0.14 -1.26 -4.33 119.74 115.43 1ufn s LYS 40 Ca 0.64 1.63 0.02 0.00 -1.36 0.00 0.00 55.97 56.90 1ufn s LYS 40 Cb -0.17 -4.42 -0.03 0.00 -1.68 0.00 0.00 37.83 31.52 1ufn s LYS 40 CO 0.22 -2.52 0.02 0.00 -0.76 0.00 0.00 175.35 172.30 1ufn s ILE 42 N -2.07 4.62 -0.26 0.00 1.01 -0.67 -2.71 121.20 121.11 1ufn s ILE 42 Ca -0.01 1.06 -0.11 0.00 0.00 0.00 0.00 60.65 61.59 1ufn s ILE 42 Cb 0.01 -4.31 -0.05 0.00 0.01 0.00 0.00 42.46 38.12 1ufn s ILE 42 CO 0.09 -0.54 0.19 -1.58 0.00 0.00 0.00 174.94 173.11 1ufn s GLN 43 N 3.39 4.01 0.95 2.79 0.74 0.73 0.15 119.66 132.43 1ufn s GLN 43 Ca 0.36 -0.27 -0.14 0.00 0.05 0.00 0.00 55.36 55.37 1ufn s GLN 43 Cb -0.12 -3.61 0.16 0.00 1.10 0.00 0.00 33.01 30.54 1ufn s GLN 43 CO 0.19 -0.09 1.17 0.54 -0.55 0.00 0.00 175.29 176.54 1ufn s ASN 44 N 1.47 3.16 0.59 6.67 4.22 -0.64 0.80 114.94 131.21 1ufn s ASN 44 Ca 0.08 0.80 0.28 0.00 -2.14 0.00 0.00 52.86 51.88 1ufn s ASN 44 Cb -0.15 -1.24 1.67 0.00 1.28 0.00 0.00 41.25 42.81 1ufn s ASN 44 CO 0.08 -2.75 2.13 -0.33 -2.04 0.00 0.00 177.10 174.19 1ufn h GLU 45 N -1.64 0.00 0.00 3.55 5.08 -1.81 0.34 114.58 120.10 1ufn h GLU 45 Ca -0.49 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 1ufn h GLU 45 Cb 1.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.56 1ufn h GLU 45 CO 0.55 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.56 1ufn n ALA 46 N -2.34 2.26 0.00 3.43 0.00 -1.26 -4.90 120.51 117.70 1ufn n ALA 46 Ca 0.01 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1ufn n ALA 46 Cb 0.27 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.27 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 1.33 3.40 3.68 0.00 0.00 0.12 -5.03 105.19 108.69 1ufn n GLY 47 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.86 6.64 0.58 1.61 1.01 -1.26 -4.57 116.67 119.83 1ufn s ASP 48 Ca 0.00 2.40 -0.16 0.00 0.71 0.00 0.00 52.55 55.51 1ufn s ASP 48 Cb 0.00 -2.56 -0.04 0.00 1.01 0.00 0.00 42.92 41.33 1ufn s ASP 48 CO 0.00 -0.88 1.05 0.26 0.21 0.00 0.00 175.17 175.81 1ufn s TRP 49 N 2.86 3.06 -0.05 4.23 0.52 -1.26 -1.61 118.94 126.70 1ufn s TRP 49 Ca 0.73 1.50 -0.06 0.00 0.02 0.00 0.00 56.10 58.29 1ufn s TRP 49 Cb -0.38 -2.97 0.01 0.00 -1.15 0.00 0.00 33.47 28.98 1ufn s TRP 49 CO 0.31 -1.01 0.16 -0.51 0.02 0.00 0.00 176.95 175.93 1ufn s LEU 50 N -4.47 1.40 0.41 2.99 1.43 0.41 -4.92 118.68 115.94 1ufn s LEU 50 Ca 0.63 0.22 -0.24 0.00 -1.03 0.00 0.00 54.13 53.70 1ufn s LEU 50 Cb -0.15 0.60 -0.08 0.00 0.03 0.00 0.00 46.19 46.59 1ufn s LEU 50 CO 0.37 -0.13 1.11 0.42 0.23 0.00 0.00 176.35 178.35 1ufn s THR 51 N -0.24 3.41 0.29 5.49 -4.23 -1.26 -1.67 115.64 117.42 1ufn s THR 51 Ca -0.03 1.10 0.20 0.00 -1.18 0.00 0.00 61.69 61.77 1ufn s THR 51 Cb -0.03 -3.58 0.31 0.00 1.34 0.00 0.00 72.50 70.55 1ufn s THR 51 CO 0.01 0.03 1.08 0.52 -0.54 0.00 0.00 174.62 175.72 1ufn n VAL 52 N -0.14 -0.21 -0.04 2.29 0.31 -1.24 0.18 118.33 119.47 1ufn n VAL 52 Ca 0.05 1.30 -0.15 0.00 -0.01 0.00 0.00 64.34 65.54 1ufn n VAL 52 Cb 0.48 -2.13 -0.13 0.00 -0.91 0.00 0.00 33.84 31.16 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 0.01 5.55 1.57 -1.89 -3.34 116.57 118.54 1ufn h LYS 53 Ca 0.60 -0.10 0.01 0.00 -1.87 0.00 0.00 60.65 59.30 1ufn h LYS 53 Cb 1.83 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 34.13 1ufn h LYS 53 CO -0.39 0.97 -0.41 0.93 -0.57 0.00 0.00 179.45 179.98 1ufn h GLU 54 N -0.78 -0.51 -0.74 3.15 4.39 0.15 -1.39 114.58 118.84 1ufn h GLU 54 Ca -0.02 0.03 0.24 0.00 0.34 0.00 0.00 59.36 59.95 1ufn h GLU 54 Cb 1.04 0.12 -0.14 0.00 -0.10 0.00 0.00 28.75 29.67 1ufn h GLU 54 CO 0.03 -0.34 0.15 0.34 -1.16 0.00 0.00 179.01 178.03 1ufn n PHE 55 N -4.77 0.61 0.19 4.33 7.35 -0.55 0.12 117.46 124.74 1ufn n PHE 55 Ca -0.06 0.89 -0.15 0.00 -0.76 0.00 0.00 57.45 57.38 1ufn n PHE 55 Cb 0.31 -1.14 -0.08 0.00 0.35 0.00 0.00 39.48 38.92 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 -0.35 -1.03 -2.13 3.38 -1.38 -2.73 115.31 111.06 1ufn h LEU 56 Ca 0.51 -0.02 0.19 0.00 0.09 0.00 0.00 57.88 58.65 1ufn h LEU 56 Cb 1.18 0.09 -0.10 0.00 0.09 0.00 0.00 40.66 41.92 1ufn h LEU 56 CO -0.66 -0.21 0.61 0.78 0.09 0.00 0.00 178.44 179.06 1ufn h ASN 57 N -0.46 0.78 -0.96 -0.43 2.35 0.13 0.15 115.58 117.13 1ufn h ASN 57 Ca -0.04 0.09 0.15 0.00 -0.55 0.00 0.00 56.30 55.95 1ufn h ASN 57 Cb 0.35 -0.05 -0.09 0.00 0.05 0.00 0.00 38.32 38.58 1ufn h ASN 57 CO 0.07 0.29 0.61 -0.33 -1.65 0.00 0.00 177.43 176.42 1ufn h GLU 58 N 0.77 0.77 0.15 0.81 4.39 -0.99 -2.39 114.58 118.10 1ufn h GLU 58 Ca 0.57 -0.05 -0.34 0.00 0.34 0.00 0.00 59.36 59.88 1ufn h GLU 58 Cb 0.88 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 29.36 1ufn h GLU 58 CO -0.36 0.51 -1.74 0.78 -1.16 0.00 0.00 179.01 177.04 1ufn h GLY 59 N 0.80 0.37 0.00 -3.84 0.00 -0.78 -3.44 103.07 96.18 1ufn h GLY 59 Ca 0.50 -0.95 0.00 0.00 0.00 0.00 0.00 47.33 46.88 1ufn h GLY 59 CO -0.27 0.83 0.00 0.61 0.00 0.00 0.00 176.54 177.71 1ufn n GLY 60 N 1.83 1.97 0.26 4.60 0.00 0.13 -4.47 105.19 109.50 1ufn n GLY 60 Ca -0.24 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.20 2.16 -0.32 1.61 1.74 -1.06 -4.75 116.66 115.84 1ufn n ARG 61 Ca 0.00 -2.31 0.20 0.00 -0.77 0.00 0.00 57.85 54.97 1ufn n ARG 61 Cb 0.00 -1.42 0.41 0.00 -1.02 0.00 0.00 32.46 30.43 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 0.52 1.66 -0.95 7.54 0.00 -1.88 0.43 119.26 126.58 1ufn h ALA 62 Ca 0.00 0.23 0.24 0.00 0.00 0.00 0.00 54.91 55.38 1ufn h ALA 62 Cb 0.93 0.29 -0.13 0.00 0.00 0.00 0.00 17.79 18.88 1ufn h ALA 62 CO 0.04 -0.59 0.49 1.79 0.00 0.00 0.00 179.25 180.98 1ufn h THR 63 N 0.20 0.47 -3.61 0.00 1.35 -1.96 -3.41 112.91 105.96 1ufn h THR 63 Ca 0.67 -0.16 -0.57 0.00 -0.55 0.00 0.00 66.41 65.81 1ufn h THR 63 Cb 1.51 -0.03 0.15 0.00 -1.73 0.00 0.00 68.15 68.06 1ufn h THR 63 CO -0.68 0.08 0.24 -0.24 -0.25 0.00 0.00 175.52 174.67 1ufn n SER 64 N -4.99 1.28 -0.13 5.36 2.88 0.15 -4.96 113.62 113.21 1ufn n SER 64 Ca 0.25 0.88 -0.28 0.00 -1.33 0.00 0.00 58.87 58.39 1ufn n SER 64 Cb 0.73 -1.43 -0.10 0.00 -0.75 0.00 0.00 64.21 62.66 1ufn n SER 64 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1ufn n LYS 65 N -0.87 0.59 -2.52 -1.46 3.00 -1.26 -4.87 118.16 110.77 1ufn n LYS 65 Ca 0.12 0.33 -0.43 0.00 -0.00 0.00 0.00 58.31 58.34 1ufn n LYS 65 Cb 0.46 -1.55 -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 -7.34 6.62 0.20 3.14 1.01 -1.26 -4.89 116.67 114.15 1ufn s ASP 66 Ca -0.36 0.77 0.08 0.00 0.71 0.00 0.00 52.55 53.75 1ufn s ASP 66 Cb 0.13 -2.54 0.09 0.00 1.01 0.00 0.00 42.92 41.60 1ufn s ASP 66 CO 0.52 -1.21 1.45 4.11 0.21 0.00 0.00 175.17 180.25 1ufn h TRP 67 N 9.41 0.05 0.00 4.23 5.08 -1.92 -3.00 115.95 129.79 1ufn h TRP 67 Ca -0.24 -0.02 -0.03 0.00 1.08 0.00 0.00 58.89 59.67 1ufn h TRP 67 Cb 1.08 -0.01 -0.00 0.00 -3.00 0.00 0.00 29.16 27.23 1ufn h TRP 67 CO 0.94 0.81 -0.14 0.87 -1.28 0.00 0.00 178.44 179.64 1ufn h LYS 68 N 0.02 0.00 0.11 0.12 1.57 -1.90 -0.69 116.57 115.80 1ufn h LYS 68 Ca -0.01 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.52 1ufn h LYS 68 Cb 1.40 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.71 1ufn h LYS 68 CO 0.11 0.14 -1.22 0.78 -0.57 0.00 0.00 179.45 178.69 1ufn h GLY 69 N 1.09 0.26 0.86 3.86 0.00 -1.95 -3.03 103.07 104.17 1ufn h GLY 69 Ca -0.00 -0.67 -0.07 0.00 0.00 0.00 0.00 47.33 46.59 1ufn h GLY 69 CO 0.02 0.59 -0.10 -0.39 0.00 0.00 0.00 176.54 176.66 1ufn h VAL 70 N -0.39 1.29 -3.23 4.60 -1.51 -1.43 -3.43 116.25 112.15 1ufn h VAL 70 Ca -0.26 -1.16 -0.53 0.00 -1.23 0.00 0.00 66.70 63.52 1ufn h VAL 70 Cb 1.68 1.52 0.01 0.00 -2.13 0.00 0.00 31.29 32.36 1ufn h VAL 70 CO 0.06 0.36 0.57 -0.63 -1.23 0.00 0.00 177.57 176.70 1ufn s ILE 71 N -4.65 3.93 -0.04 7.19 1.01 -0.28 -4.62 121.20 123.74 1ufn s ILE 71 Ca -0.13 1.42 0.05 0.00 0.00 0.00 0.00 60.65 61.98 1ufn s ILE 71 Cb 0.07 -3.91 -0.03 0.00 0.01 0.00 0.00 42.46 38.61 1ufn s ILE 71 CO 0.77 0.13 -0.17 -0.13 0.00 0.00 0.00 174.94 175.55 1ufn s ARG 72 N 0.85 2.41 -0.27 2.79 0.52 0.62 -3.28 118.95 122.59 1ufn s ARG 72 Ca 0.58 -0.75 0.03 0.00 -0.52 0.00 0.00 55.73 55.06 1ufn s ARG 72 Cb -0.30 -2.30 0.07 0.00 0.52 0.00 0.00 34.95 32.93 1ufn s ARG 72 CO 0.30 0.61 -0.07 0.00 0.02 0.00 0.00 175.30 176.16 1ufn n ASN 74 N 4.45 -5.42 0.00 0.00 3.02 -1.26 -1.33 115.26 114.73 1ufn n ASN 74 Ca -0.11 -0.11 0.00 0.00 -0.03 0.00 0.00 54.58 54.33 1ufn n ASN 74 Cb 0.42 -4.40 0.00 0.00 -0.61 0.00 0.00 39.78 35.20 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 -1.18 1.38 3.16 7.41 0.00 -1.26 -5.02 105.19 109.68 1ufn n GLY 75 Ca -0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.43 2.92 0.44 1.61 8.01 -0.44 -5.07 118.70 125.75 1ufn s GLU 76 Ca 0.00 -0.82 -0.24 0.00 0.01 0.00 0.00 54.97 53.92 1ufn s GLU 76 Cb 0.00 -2.37 -0.09 0.00 -4.31 0.00 0.00 34.13 27.36 1ufn s GLU 76 CO 0.00 -0.02 1.20 0.25 0.01 0.00 0.00 175.26 176.70 1ufn n THR 77 N 4.08 2.71 -0.28 3.63 -2.24 -1.26 0.16 114.28 121.08 1ufn n THR 77 Ca -0.20 -0.50 0.10 0.00 -2.27 0.00 0.00 64.05 61.18 1ufn n THR 77 Cb 0.51 -1.45 0.24 0.00 -2.10 0.00 0.00 70.33 67.53 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 1.80 -0.01 -0.97 3.22 3.38 -1.51 0.33 115.31 121.55 1ufn h LEU 78 Ca -0.47 0.18 0.09 0.00 0.09 0.00 0.00 57.88 57.76 1ufn h LEU 78 Cb 1.31 0.24 -0.07 0.00 0.09 0.00 0.00 40.66 42.23 1ufn h LEU 78 CO 0.58 -0.11 0.61 -0.09 0.09 0.00 0.00 178.44 179.53 1ufn h ARG 79 N 0.23 1.02 -0.29 1.13 9.65 -1.88 -1.14 114.38 123.10 1ufn h ARG 79 Ca 0.50 -0.06 -0.01 0.00 -1.10 0.00 0.00 59.98 59.30 1ufn h ARG 79 Cb 0.94 -0.23 -0.01 0.00 -1.39 0.00 0.00 29.97 29.28 1ufn h ARG 79 CO -0.60 0.68 0.12 1.25 2.80 0.00 0.00 179.97 184.21 1ufn h HIS 80 N 1.05 0.43 -0.69 2.20 2.76 -0.70 -2.22 115.15 117.98 1ufn h HIS 80 Ca 0.44 -0.03 0.01 0.00 -2.20 0.00 0.00 60.37 58.59 1ufn h HIS 80 Cb 0.29 -0.13 -0.03 0.00 1.55 0.00 0.00 27.41 29.09 1ufn h HIS 80 CO -0.01 0.41 0.46 -0.07 -1.30 0.00 0.00 177.93 177.41 1ufn h LEU 81 N 0.32 0.79 -0.73 0.26 3.38 -0.75 -2.47 115.31 116.11 1ufn h LEU 81 Ca 0.10 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.07 1ufn h LEU 81 Cb 0.16 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 1ufn h LEU 81 CO -0.01 0.57 0.47 -0.08 0.09 0.00 0.00 178.44 179.48 1ufn h GLU 82 N 0.93 0.89 -0.69 1.13 4.57 -1.05 0.99 114.58 121.36 1ufn h GLU 82 Ca 0.25 -0.05 0.04 0.00 -1.18 0.00 0.00 59.36 58.41 1ufn h GLU 82 Cb -0.11 -0.20 -0.04 0.00 -0.16 0.00 0.00 28.75 28.24 1ufn h GLU 82 CO -0.05 0.59 0.45 1.96 -1.18 0.00 0.00 179.01 180.78 1ufn h GLN 83 N 0.92 0.79 -0.37 1.92 4.20 -0.95 0.93 115.11 122.55 1ufn h GLN 83 Ca 0.29 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.95 1ufn h GLN 83 Cb -0.02 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.58 1ufn h GLN 83 CO -0.10 0.52 0.00 1.63 -0.67 0.00 0.00 178.83 180.22 1ufn n LYS 84 N -4.46 1.63 -2.92 1.46 5.02 -0.72 -4.87 118.16 113.29 1ufn n LYS 84 Ca 0.09 -0.79 -0.20 0.00 -2.02 0.00 0.00 58.31 55.39 1ufn n LYS 84 Cb 0.14 -1.29 0.03 0.00 -0.02 0.00 0.00 35.03 33.89 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 0.68 -0.38 0.10 0.72 0.00 0.32 -4.90 105.19 101.74 1ufn n GLY 85 Ca 0.07 0.02 -0.12 0.00 0.00 0.00 0.00 46.02 45.99 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 -3.58 1.27 -4.80 0.99 4.77 0.26 -4.98 117.00 110.93 1ufn n LEU 86 Ca -0.10 -0.06 -0.28 0.00 -0.03 0.00 0.00 56.01 55.55 1ufn n LEU 86 Cb 0.61 -0.09 -0.06 0.00 -2.33 0.00 0.00 43.42 41.55 1ufn n LEU 86 CO 0.42 0.65 -0.23 -0.22 -1.33 0.00 0.00 177.39 176.68 1ufn s LEU 87 N -5.81 3.84 -0.11 2.23 2.96 -1.20 -4.92 118.68 115.68 1ufn s LEU 87 Ca -0.19 -0.06 0.02 0.00 -0.22 0.00 0.00 54.13 53.68 1ufn s LEU 87 Cb 0.07 -2.48 -0.24 0.00 0.50 0.00 0.00 46.19 44.04 1ufn s LEU 87 CO 0.68 0.11 0.41 2.22 -1.32 0.00 0.00 176.35 178.45 1ufn n PHE 88 N -0.07 1.01 -4.01 5.38 -1.74 -1.26 -4.61 117.46 112.16 1ufn n PHE 88 Ca -0.08 0.27 -0.31 0.00 -0.56 0.00 0.00 57.45 56.77 1ufn n PHE 88 Cb 0.53 -1.15 0.00 0.00 1.52 0.00 0.00 39.48 40.38 1ufn n PHE 88 CO 0.00 0.00 0.00 -1.13 -0.56 0.00 0.00 176.76 175.07 1ufn n SER 89 N -3.27 -3.20 0.00 5.98 3.41 -1.26 -4.62 113.62 110.66 1ufn n SER 89 Ca -0.28 -0.90 0.00 0.00 -0.26 0.00 0.00 58.87 57.43 1ufn n SER 89 Cb 1.05 -3.38 0.00 0.00 -0.26 0.00 0.00 64.21 61.62 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 -1.63 -0.76 3.71 5.00 0.00 -1.26 -4.93 105.19 105.32 1ufn n GLY 90 Ca -0.04 -1.62 -0.42 0.00 0.00 0.00 0.00 46.02 43.94 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 -2.97 4.31 -0.47 1.61 0.04 -1.26 -5.00 135.00 131.26 1ufn s PRO 91 Ca 0.00 2.04 -0.13 0.00 0.04 0.00 0.00 61.00 62.95 1ufn s PRO 91 Cb 0.00 -3.35 0.10 0.00 0.04 0.00 0.00 34.50 31.29 1ufn s PRO 91 CO 0.00 -0.47 0.37 -1.12 0.04 0.00 0.00 177.00 175.83 1ufn s SER 92 N 1.35 5.94 0.05 6.66 0.01 -1.26 -5.04 113.70 121.40 1ufn s SER 92 Ca 0.64 -1.59 -0.07 0.00 1.31 0.00 0.00 55.95 56.24 1ufn s SER 92 Cb -0.35 -2.11 -0.01 0.00 0.21 0.00 0.00 66.02 63.77 1ufn s SER 92 CO 0.29 -0.68 0.14 -0.44 0.41 0.00 0.00 173.24 172.97 1ufn s SER 93 N 2.72 0.14 0.00 2.44 0.01 -1.26 -5.28 113.70 112.47 1ufn s SER 93 Ca 0.04 -0.54 0.00 0.00 1.31 0.00 0.00 55.95 56.76 1ufn s SER 93 Cb -0.26 0.27 0.00 0.00 0.21 0.00 0.00 66.02 66.25 1ufn s SER 93 CO 0.03 -0.59 0.00 0.61 0.41 0.00 0.00 173.24 173.71