#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ufx n SER 2 N 0.00 -1.40 -4.68 1.61 3.41 -1.26 -4.72 113.62 106.57 1ufx n SER 2 Ca 0.00 -1.17 -0.51 0.00 -0.26 0.00 0.00 58.87 56.93 1ufx n SER 2 Cb 0.00 -1.50 -0.05 0.00 -0.26 0.00 0.00 64.21 62.40 1ufx n SER 2 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1ufx n SER 3 N -2.30 3.06 0.00 4.04 3.41 -1.26 -4.64 113.62 115.93 1ufx n SER 3 Ca 0.06 1.02 0.00 0.00 -0.26 0.00 0.00 58.87 59.69 1ufx n SER 3 Cb 0.45 -1.31 0.00 0.00 -0.26 0.00 0.00 64.21 63.09 1ufx n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ufx n GLY 4 N 4.19 2.77 3.38 5.00 0.00 -1.26 -3.96 105.19 115.30 1ufx n GLY 4 Ca 0.23 0.13 -0.40 0.00 0.00 0.00 0.00 46.02 45.98 1ufx n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ufx s SER 5 N -4.00 5.67 -0.15 1.61 0.15 -1.26 -5.08 113.70 110.64 1ufx s SER 5 Ca 0.00 -0.93 -0.06 0.00 0.70 0.00 0.00 55.95 55.66 1ufx s SER 5 Cb 0.00 -2.01 -0.04 0.00 -1.71 0.00 0.00 66.02 62.27 1ufx s SER 5 CO 0.00 -0.35 0.05 -0.94 1.20 0.00 0.00 173.24 173.20 1ufx s SER 6 N 1.55 5.60 0.00 5.45 1.04 -1.25 -5.02 113.70 121.07 1ufx s SER 6 Ca 0.02 0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.60 1ufx s SER 6 Cb -0.19 -1.85 0.00 0.00 0.10 0.00 0.00 66.02 64.08 1ufx s SER 6 CO 0.06 0.26 0.00 0.61 0.98 0.00 0.00 173.24 175.15 1ufx n GLY 7 N 2.94 3.69 2.73 7.32 0.00 -1.26 -5.05 105.19 115.56 1ufx n GLY 7 Ca -0.18 -1.67 -0.29 0.00 0.00 0.00 0.00 46.02 43.87 1ufx n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ufx s THR 8 N -2.19 0.82 0.12 2.61 2.01 0.03 -4.99 115.64 114.05 1ufx s THR 8 Ca 0.00 -1.25 -0.31 0.00 0.31 0.00 0.00 61.69 60.44 1ufx s THR 8 Cb 0.00 -1.56 -0.10 0.00 0.01 0.00 0.00 72.50 70.85 1ufx s THR 8 CO 0.00 -0.59 1.79 -0.22 -0.69 0.00 0.00 174.62 174.92 1ufx s LEU 9 N 1.66 4.39 -0.22 4.42 1.98 -1.26 -3.13 118.68 126.52 1ufx s LEU 9 Ca 0.08 2.72 -0.00 0.00 -2.89 0.00 0.00 54.13 54.04 1ufx s LEU 9 Cb -0.17 -3.57 0.03 0.00 0.66 0.00 0.00 46.19 43.14 1ufx s LEU 9 CO -0.23 -0.98 -0.12 -0.69 -1.89 0.00 0.00 176.35 172.44 1ufx s VAL 10 N 2.63 2.50 -0.61 1.68 1.01 -0.05 -4.94 120.40 122.63 1ufx s VAL 10 Ca 0.79 -1.04 -0.25 0.00 0.00 0.00 0.00 61.98 61.49 1ufx s VAL 10 Cb -0.45 -2.21 0.05 0.00 0.00 0.00 0.00 36.38 33.76 1ufx s VAL 10 CO 0.35 0.31 1.02 -0.60 0.00 0.00 0.00 175.10 176.19 1ufx s ARG 11 N 1.29 3.27 -0.41 2.72 3.52 -1.26 -0.22 118.95 127.86 1ufx s ARG 11 Ca 0.01 -0.37 -0.21 0.00 -0.13 0.00 0.00 55.73 55.03 1ufx s ARG 11 Cb -0.16 -4.12 0.02 0.00 -1.56 0.00 0.00 34.95 29.13 1ufx s ARG 11 CO -0.08 -1.69 0.68 0.08 -0.81 0.00 0.00 175.30 173.48 1ufx s VAL 12 N 4.34 4.80 0.29 7.11 1.01 -0.49 -4.90 120.40 132.57 1ufx s VAL 12 Ca 0.30 0.40 -0.28 0.00 0.00 0.00 0.00 61.98 62.39 1ufx s VAL 12 Cb -0.13 -4.19 -0.09 0.00 0.00 0.00 0.00 36.38 31.97 1ufx s VAL 12 CO 0.17 -0.51 1.03 -0.75 0.00 0.00 0.00 175.10 175.04 1ufx s LYS 13 N 2.90 4.62 0.00 2.72 2.47 -1.26 -0.59 119.74 130.61 1ufx s LYS 13 Ca 0.25 1.63 -0.05 0.00 -1.56 0.00 0.00 55.97 56.25 1ufx s LYS 13 Cb -0.14 -3.08 -0.22 0.00 -1.46 0.00 0.00 37.83 32.93 1ufx s LYS 13 CO 0.18 0.25 3.07 1.63 0.16 0.00 0.00 175.35 180.65 1ufx n LYS 14 N 1.03 1.65 -0.06 4.03 5.02 -1.11 -4.43 118.16 124.28 1ufx n LYS 14 Ca -0.00 -0.82 -0.12 0.00 -2.02 0.00 0.00 58.31 55.35 1ufx n LYS 14 Cb 0.47 -1.90 -0.06 0.00 -0.02 0.00 0.00 35.03 33.52 1ufx n LYS 14 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1ufx h SER 15 N 3.47 0.35 -4.16 4.39 0.87 -1.91 -3.44 113.55 113.13 1ufx h SER 15 Ca 0.16 -0.35 -0.48 0.00 -1.23 0.00 0.00 61.79 59.89 1ufx h SER 15 Cb 1.26 -0.09 0.03 0.00 -0.44 0.00 0.00 62.40 63.15 1ufx h SER 15 CO 0.27 0.61 0.37 0.00 -0.53 0.00 0.00 176.83 177.56 1ufx s ALA 16 N -4.82 2.90 0.18 6.23 0.00 -1.26 -4.97 121.76 120.02 1ufx s ALA 16 Ca -0.14 0.37 -0.14 0.00 0.00 0.00 0.00 51.96 52.06 1ufx s ALA 16 Cb 0.06 -3.19 0.10 0.00 0.00 0.00 0.00 23.12 20.09 1ufx s ALA 16 CO 0.73 -0.42 1.82 0.00 0.00 0.00 0.00 175.76 177.89 1ufx h ALA 17 N 0.98 0.67 -4.16 0.00 0.00 -1.85 -3.43 119.26 111.46 1ufx h ALA 17 Ca -0.48 -0.01 -0.57 0.00 0.00 0.00 0.00 54.91 53.85 1ufx h ALA 17 Cb 1.20 -0.16 -0.27 0.00 0.00 0.00 0.00 17.79 18.56 1ufx h ALA 17 CO 0.59 0.03 -0.84 0.95 0.00 0.00 0.00 179.25 179.99 1ufx s THR 18 N -6.14 1.58 0.00 0.00 -4.23 -1.26 -5.08 115.64 100.51 1ufx s THR 18 Ca -0.13 -1.05 0.00 0.00 -1.18 0.00 0.00 61.69 59.33 1ufx s THR 18 Cb 0.13 -1.35 0.00 0.00 1.34 0.00 0.00 72.50 72.62 1ufx s THR 18 CO 0.74 0.28 0.93 -0.11 -0.54 0.00 0.00 174.62 175.92 1ufx n LEU 19 N 2.13 0.00 -1.85 4.79 7.94 -1.26 -3.55 117.00 125.20 1ufx n LEU 19 Ca -0.16 0.93 -0.01 0.00 -1.11 0.00 0.00 56.01 55.66 1ufx n LEU 19 Cb 0.53 -0.43 0.00 0.00 0.53 0.00 0.00 43.42 44.05 1ufx n LEU 19 CO 0.23 -0.43 -0.10 0.61 -1.11 0.00 0.00 177.39 176.59 1ufx n GLY 20 N -0.95 -2.67 3.23 -3.96 0.00 -1.26 -2.71 105.19 96.88 1ufx n GLY 20 Ca 0.00 0.03 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 1ufx n GLY 20 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1ufx s ILE 21 N -0.70 0.03 -0.01 -0.61 -4.36 -1.26 -3.04 121.20 111.24 1ufx s ILE 21 Ca 0.02 -0.21 0.05 0.00 -0.26 0.00 0.00 60.65 60.25 1ufx s ILE 21 Cb -0.00 -0.53 -0.01 0.00 1.25 0.00 0.00 42.46 43.17 1ufx s ILE 21 CO 0.22 -0.12 -0.17 0.00 0.24 0.00 0.00 174.94 175.12 1ufx s ALA 22 N -0.48 1.39 0.31 2.27 0.00 -0.54 -4.99 121.76 119.72 1ufx s ALA 22 Ca -0.06 -0.73 0.05 0.00 0.00 0.00 0.00 51.96 51.22 1ufx s ALA 22 Cb -0.04 -0.35 -0.03 0.00 0.00 0.00 0.00 23.12 22.70 1ufx s ALA 22 CO 0.02 0.34 0.22 0.96 0.00 0.00 0.00 175.76 177.30 1ufx s ILE 23 N -0.41 0.08 0.03 0.00 -4.36 -1.26 -1.36 121.20 113.92 1ufx s ILE 23 Ca 0.06 -2.00 -0.23 0.00 -0.26 0.00 0.00 60.65 58.23 1ufx s ILE 23 Cb -0.07 -2.49 0.05 0.00 1.25 0.00 0.00 42.46 41.21 1ufx s ILE 23 CO -0.01 0.00 0.52 -1.83 0.24 0.00 0.00 174.94 173.86 1ufx s GLU 24 N -3.66 1.00 0.00 0.37 -1.05 -0.85 -4.82 118.70 109.68 1ufx s GLU 24 Ca 0.39 -0.17 0.00 0.00 -0.15 0.00 0.00 54.97 55.04 1ufx s GLU 24 Cb 0.04 0.46 0.00 0.00 -0.44 0.00 0.00 34.13 34.18 1ufx s GLU 24 CO 0.22 -0.35 0.00 0.41 0.95 0.00 0.00 175.26 176.50 1ufx n GLY 25 N 0.56 0.22 0.00 -3.83 0.00 -1.26 -2.44 105.19 98.44 1ufx n GLY 25 Ca -0.19 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 43.88 1ufx n GLY 25 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ufx n GLY 26 N 0.00 4.66 0.50 -0.02 0.00 -0.90 -3.41 105.19 106.01 1ufx n GLY 26 Ca 0.00 -1.21 0.25 0.00 0.00 0.00 0.00 46.02 45.07 1ufx n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ufx h ALA 27 N 0.00 2.79 0.30 4.61 0.00 -1.29 0.06 119.26 125.73 1ufx h ALA 27 Ca 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1ufx h ALA 27 Cb 0.00 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1ufx h ALA 27 CO 0.00 -1.56 -0.15 -0.97 0.00 0.00 0.00 179.25 176.58 1ufx h ASN 28 N 0.00 -0.35 -3.01 0.00 -0.73 -1.89 -3.45 115.58 106.15 1ufx h ASN 28 Ca 0.42 0.01 -0.38 0.00 1.87 0.00 0.00 56.30 58.22 1ufx h ASN 28 Cb 2.62 0.09 0.22 0.00 0.27 0.00 0.00 38.32 41.51 1ufx h ASN 28 CO -0.00 -0.12 -0.14 0.28 -0.37 0.00 0.00 177.43 177.08 1ufx s THR 29 N -3.12 1.15 0.54 -3.57 -1.32 0.01 -4.85 115.64 104.48 1ufx s THR 29 Ca -0.06 0.00 0.22 0.00 -1.21 0.00 0.00 61.69 60.64 1ufx s THR 29 Cb 0.01 -2.04 0.33 0.00 -1.51 0.00 0.00 72.50 69.28 1ufx s THR 29 CO 0.18 0.00 2.09 -0.09 -2.21 0.00 0.00 174.62 174.59 1ufx h ARG 30 N -3.51 0.00 -5.87 7.08 2.43 -1.89 -3.39 114.38 109.23 1ufx h ARG 30 Ca -0.43 0.00 -0.60 0.00 -0.81 0.00 0.00 59.98 58.14 1ufx h ARG 30 Cb 1.34 0.00 -0.10 0.00 -0.42 0.00 0.00 29.97 30.80 1ufx h ARG 30 CO 0.27 0.00 0.47 -1.14 -1.51 0.00 0.00 179.97 178.06 1ufx s GLN 31 N -4.97 3.93 -0.02 0.20 2.00 -1.26 -4.95 119.66 114.59 1ufx s GLN 31 Ca -0.05 0.60 -0.25 0.00 -2.00 0.00 0.00 55.36 53.66 1ufx s GLN 31 Cb 0.18 -3.75 -0.20 0.00 0.80 0.00 0.00 33.01 30.04 1ufx s GLN 31 CO 0.67 -0.76 1.23 -1.00 -0.50 0.00 0.00 175.29 174.93 1ufx h PRO 32 N 8.20 -0.06 -6.07 1.67 0.13 -1.76 -2.40 132.00 131.71 1ufx h PRO 32 Ca -0.24 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.35 1ufx h PRO 32 Cb 1.09 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.20 1ufx h PRO 32 CO 0.92 0.40 -0.48 -0.51 -0.23 0.00 0.00 178.00 178.10 1ufx s LEU 33 N -9.24 4.24 0.37 1.56 2.01 -1.26 -2.59 118.68 113.77 1ufx s LEU 33 Ca -0.15 0.12 -0.27 0.00 0.01 0.00 0.00 54.13 53.84 1ufx s LEU 33 Cb 0.02 -2.82 -0.09 0.00 0.01 0.00 0.00 46.19 43.31 1ufx s LEU 33 CO 0.64 0.06 1.20 -2.16 1.01 0.00 0.00 176.35 177.10 1ufx s PRO 34 N -3.20 4.20 -0.10 1.29 0.04 -1.25 -4.53 135.00 131.46 1ufx s PRO 34 Ca 0.34 1.95 0.04 0.00 0.04 0.00 0.00 61.00 63.37 1ufx s PRO 34 Cb -0.11 -2.85 -0.00 0.00 0.04 0.00 0.00 34.50 31.58 1ufx s PRO 34 CO 0.28 -0.23 -0.24 0.50 0.04 0.00 0.00 177.00 177.35 1ufx s ARG 35 N -2.05 3.01 0.02 4.56 3.52 -1.02 -1.32 118.95 125.67 1ufx s ARG 35 Ca 0.53 -0.87 -0.30 0.00 -0.13 0.00 0.00 55.73 54.96 1ufx s ARG 35 Cb -0.34 -2.28 -0.07 0.00 -1.56 0.00 0.00 34.95 30.70 1ufx s ARG 35 CO 0.43 0.18 1.70 0.42 -0.81 0.00 0.00 175.30 177.22 1ufx s ILE 36 N 0.33 3.23 -0.14 4.11 1.01 0.16 -2.02 121.20 127.89 1ufx s ILE 36 Ca -0.18 0.50 0.11 0.00 0.00 0.00 0.00 60.65 61.08 1ufx s ILE 36 Cb -0.18 -3.32 -0.16 0.00 0.01 0.00 0.00 42.46 38.81 1ufx s ILE 36 CO 0.09 -0.02 0.03 1.33 0.00 0.00 0.00 174.94 176.37 1ufx n VAL 37 N 5.10 0.94 -3.80 2.92 0.24 -0.46 -0.94 118.33 122.32 1ufx n VAL 37 Ca 0.17 -0.56 -0.13 0.00 -2.04 0.00 0.00 64.34 61.78 1ufx n VAL 37 Cb 0.41 -0.67 -0.12 0.00 -1.47 0.00 0.00 33.84 31.99 1ufx n VAL 37 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1ufx s THR 38 N -2.33 -0.00 -0.33 3.34 2.01 -1.21 -4.81 115.64 112.31 1ufx s THR 38 Ca -0.08 0.00 0.03 0.00 0.31 0.00 0.00 61.69 61.96 1ufx s THR 38 Cb 0.04 -0.30 0.10 0.00 0.01 0.00 0.00 72.50 72.35 1ufx s THR 38 CO 0.55 0.00 0.05 -0.63 -0.69 0.00 0.00 174.62 173.90 1ufx s ILE 39 N 0.14 2.07 0.19 1.82 1.01 -1.26 -1.47 121.20 123.69 1ufx s ILE 39 Ca -0.00 -2.18 -0.30 0.00 0.00 0.00 0.00 60.65 58.17 1ufx s ILE 39 Cb -0.02 -2.52 -0.16 0.00 0.01 0.00 0.00 42.46 39.77 1ufx s ILE 39 CO 0.00 -0.58 0.82 0.00 0.00 0.00 0.00 174.94 175.18 1ufx n GLN 40 N 4.35 0.52 0.22 2.79 6.02 -1.17 -4.81 117.38 125.29 1ufx n GLN 40 Ca 0.02 0.18 -0.13 0.00 -0.01 0.00 0.00 57.00 57.06 1ufx n GLN 40 Cb 0.42 -1.42 -0.08 0.00 1.02 0.00 0.00 30.24 30.18 1ufx n GLN 40 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 1ufx h ARG 41 N 1.93 -0.55 -2.33 -1.09 2.43 -1.95 -3.24 114.38 109.57 1ufx h ARG 41 Ca -0.36 0.04 -0.20 0.00 -0.81 0.00 0.00 59.98 58.64 1ufx h ARG 41 Cb 1.40 0.13 -0.05 0.00 -0.42 0.00 0.00 29.97 31.03 1ufx h ARG 41 CO 0.61 -0.25 0.23 0.41 -1.51 0.00 0.00 179.97 179.47 1ufx n GLY 42 N -0.40 2.74 3.28 2.80 0.00 -1.26 -4.54 105.19 107.81 1ufx n GLY 42 Ca -0.10 -1.00 -0.16 0.00 0.00 0.00 0.00 46.02 44.76 1ufx n GLY 42 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ufx s GLY 43 N 2.27 1.79 -0.03 -0.02 0.00 -1.22 -4.53 107.32 105.58 1ufx s GLY 43 Ca 0.54 -1.79 -0.25 0.00 0.00 0.00 0.00 44.72 43.21 1ufx s GLY 43 CO -0.01 -1.52 1.17 1.48 0.00 0.00 0.00 173.10 174.23 1ufx h SER 44 N 2.39 -0.05 -0.78 1.64 4.64 -1.56 -2.80 113.55 117.03 1ufx h SER 44 Ca -0.35 -0.49 0.16 0.00 -0.47 0.00 0.00 61.79 60.64 1ufx h SER 44 Cb 1.25 0.01 -0.15 0.00 -0.31 0.00 0.00 62.40 63.20 1ufx h SER 44 CO 0.53 0.48 -0.20 0.00 -0.87 0.00 0.00 176.83 176.77 1ufx h ALA 45 N 0.31 0.50 0.75 5.18 0.00 -1.85 -0.51 119.26 123.64 1ufx h ALA 45 Ca -0.01 0.30 -0.04 0.00 0.00 0.00 0.00 54.91 55.17 1ufx h ALA 45 Cb 0.53 0.61 0.01 0.00 0.00 0.00 0.00 17.79 18.94 1ufx h ALA 45 CO 0.01 -0.41 -0.36 1.25 0.00 0.00 0.00 179.25 179.73 1ufx h HIS 46 N -0.00 -0.93 -0.86 0.00 6.17 -1.72 -3.04 115.15 114.76 1ufx h HIS 46 Ca 0.37 -0.02 0.19 0.00 0.71 0.00 0.00 60.37 61.62 1ufx h HIS 46 Cb 0.57 0.31 -0.16 0.00 2.52 0.00 0.00 27.41 30.65 1ufx h HIS 46 CO -0.62 -0.57 -0.12 -0.91 0.71 0.00 0.00 177.93 176.41 1ufx h ASN 47 N -1.07 -0.64 -1.03 3.26 4.21 -1.00 -3.18 115.58 116.13 1ufx h ASN 47 Ca -0.10 0.25 -0.61 0.00 1.21 0.00 0.00 56.30 57.05 1ufx h ASN 47 Cb 0.78 0.48 -0.09 0.00 -1.12 0.00 0.00 38.32 38.38 1ufx h ASN 47 CO 0.17 -0.27 1.66 0.00 -1.29 0.00 0.00 177.43 177.69 1ufx h GLY 49 N 12.93 0.00 -0.81 0.00 0.00 -1.75 -1.25 103.07 112.17 1ufx h GLY 49 Ca 0.26 0.00 0.33 0.00 0.00 0.00 0.00 47.33 47.92 1ufx h GLY 49 CO 1.43 0.00 1.09 1.46 0.00 0.00 0.00 176.54 180.52 1ufx h GLN 50 N 0.00 0.00 -6.12 4.80 4.20 -1.87 -3.39 115.11 112.73 1ufx h GLN 50 Ca 0.06 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 58.24 1ufx h GLN 50 Cb 1.45 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 29.17 1ufx h GLN 50 CO -0.00 0.00 -0.52 -0.51 -0.67 0.00 0.00 178.83 177.13 1ufx s LEU 51 N -7.12 3.34 0.05 1.46 1.43 -0.48 -5.07 118.68 112.30 1ufx s LEU 51 Ca -0.04 -0.70 -0.14 0.00 -1.03 0.00 0.00 54.13 52.23 1ufx s LEU 51 Cb 0.18 -1.85 0.02 0.00 0.03 0.00 0.00 46.19 44.57 1ufx s LEU 51 CO 0.61 -0.29 0.31 -0.54 0.23 0.00 0.00 176.35 176.66 1ufx s LYS 52 N -3.87 0.83 -0.37 1.70 1.02 -1.26 -4.97 119.74 112.82 1ufx s LYS 52 Ca 0.38 -0.54 -0.28 0.00 0.02 0.00 0.00 55.97 55.55 1ufx s LYS 52 Cb -0.03 0.36 -0.02 0.00 -0.52 0.00 0.00 37.83 37.61 1ufx s LYS 52 CO 0.23 -0.27 1.89 0.08 -0.92 0.00 0.00 175.35 176.36 1ufx s VAL 53 N -2.70 3.38 0.00 3.17 1.01 -1.26 -2.70 120.40 121.30 1ufx s VAL 53 Ca -0.04 0.36 0.00 0.00 0.00 0.00 0.00 61.98 62.30 1ufx s VAL 53 Cb -0.00 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 32.79 1ufx s VAL 53 CO -0.04 -0.42 0.00 0.61 0.00 0.00 0.00 175.10 175.25 1ufx n GLY 54 N 5.53 0.28 3.57 4.51 0.00 -0.12 -4.96 105.19 114.01 1ufx n GLY 54 Ca 0.24 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.97 1ufx n GLY 54 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ufx s HIS 55 N -0.35 1.02 -0.20 1.61 3.76 -1.10 -4.57 115.29 115.47 1ufx s HIS 55 Ca 0.00 0.75 -0.03 0.00 -0.15 0.00 0.00 55.06 55.63 1ufx s HIS 55 Cb 0.00 -3.28 0.06 0.00 1.11 0.00 0.00 32.58 30.48 1ufx s HIS 55 CO 0.00 -3.70 0.05 0.08 -0.85 0.00 0.00 174.74 170.32 1ufx s VAL 56 N -2.84 0.45 -0.21 -0.90 1.01 -1.26 0.37 120.40 117.02 1ufx s VAL 56 Ca 0.68 -0.58 -0.29 0.00 0.00 0.00 0.00 61.98 61.79 1ufx s VAL 56 Cb -0.15 -1.02 -0.02 0.00 0.00 0.00 0.00 36.38 35.19 1ufx s VAL 56 CO 0.58 -0.27 1.44 -0.63 0.00 0.00 0.00 175.10 176.22 1ufx s ILE 57 N 1.89 3.95 -0.13 2.22 1.01 -0.44 -3.63 121.20 126.06 1ufx s ILE 57 Ca 0.00 1.11 0.16 0.00 0.00 0.00 0.00 60.65 61.92 1ufx s ILE 57 Cb -0.17 -3.88 -0.23 0.00 0.01 0.00 0.00 42.46 38.20 1ufx s ILE 57 CO -0.10 -0.28 0.14 0.18 0.00 0.00 0.00 174.94 174.88 1ufx n LEU 58 N 7.59 0.00 -3.79 2.97 4.77 0.45 -3.76 117.00 125.24 1ufx n LEU 58 Ca 0.16 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 56.02 1ufx n LEU 58 Cb 0.45 0.32 -0.11 0.00 -2.33 0.00 0.00 43.42 41.76 1ufx n LEU 58 CO 0.62 0.32 -0.08 -0.70 -1.33 0.00 0.00 177.39 176.22 1ufx s GLU 59 N -2.62 0.38 -0.17 3.23 2.12 -1.25 -0.34 118.70 120.05 1ufx s GLU 59 Ca -0.08 0.19 -0.03 0.00 0.36 0.00 0.00 54.97 55.41 1ufx s GLU 59 Cb 0.07 0.18 0.05 0.00 0.26 0.00 0.00 34.13 34.69 1ufx s GLU 59 CO 0.72 -0.07 0.04 0.08 -0.54 0.00 0.00 175.26 175.49 1ufx s VAL 60 N -0.27 0.42 -1.55 3.70 1.01 0.91 -1.85 120.40 122.78 1ufx s VAL 60 Ca -0.04 -0.39 -0.05 0.00 0.00 0.00 0.00 61.98 61.50 1ufx s VAL 60 Cb -0.03 -0.89 0.01 0.00 0.00 0.00 0.00 36.38 35.47 1ufx s VAL 60 CO 0.01 -0.13 0.61 0.59 0.00 0.00 0.00 175.10 176.18 1ufx n ASN 61 N 5.10 -6.03 0.00 3.32 4.13 -1.08 -1.55 115.26 119.14 1ufx n ASN 61 Ca -0.08 -0.30 0.00 0.00 1.68 0.00 0.00 54.58 55.88 1ufx n ASN 61 Cb 0.48 -4.88 0.00 0.00 -1.54 0.00 0.00 39.78 33.84 1ufx n ASN 61 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ufx n GLY 62 N -1.52 2.86 3.72 7.41 0.00 -1.26 -5.02 105.19 111.38 1ufx n GLY 62 Ca -0.11 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 1ufx n GLY 62 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ufx s LEU 63 N 0.00 4.38 0.19 0.99 1.02 -0.59 -5.00 118.68 119.66 1ufx s LEU 63 Ca 0.00 2.43 -0.17 0.00 0.02 0.00 0.00 54.13 56.41 1ufx s LEU 63 Cb 0.00 -3.60 -0.08 0.00 0.02 0.00 0.00 46.19 42.54 1ufx s LEU 63 CO 0.00 -0.66 0.64 0.42 0.02 0.00 0.00 176.35 176.77 1ufx s THR 64 N 0.76 4.72 -0.94 5.49 -4.23 -1.26 -0.06 115.64 120.12 1ufx s THR 64 Ca 0.63 1.03 0.09 0.00 -1.18 0.00 0.00 61.69 62.26 1ufx s THR 64 Cb -0.38 -3.78 0.19 0.00 1.34 0.00 0.00 72.50 69.87 1ufx s THR 64 CO 0.34 0.20 1.06 0.18 -0.54 0.00 0.00 174.62 175.86 1ufx n LEU 65 N 0.70 2.42 -0.29 4.79 4.77 0.54 -4.63 117.00 125.31 1ufx n LEU 65 Ca -0.03 -1.63 0.21 0.00 -0.03 0.00 0.00 56.01 54.53 1ufx n LEU 65 Cb 0.52 -0.12 0.51 0.00 -2.33 0.00 0.00 43.42 41.99 1ufx n LEU 65 CO 0.43 0.57 1.22 0.08 -1.33 0.00 0.00 177.39 178.36 1ufx h ARG 66 N 1.78 0.39 -0.64 3.23 0.11 -1.87 -1.38 114.38 115.99 1ufx h ARG 66 Ca 0.00 -0.02 -0.47 0.00 0.10 0.00 0.00 59.98 59.59 1ufx h ARG 66 Cb 0.59 -0.09 -0.39 0.00 1.11 0.00 0.00 29.97 31.19 1ufx h ARG 66 CO 0.00 0.26 -0.82 0.41 0.10 0.00 0.00 179.97 179.92 1ufx n GLY 67 N -1.50 5.80 3.34 0.08 0.00 -1.26 -4.72 105.19 106.93 1ufx n GLY 67 Ca 0.22 -2.37 -0.28 0.00 0.00 0.00 0.00 46.02 43.59 1ufx n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ufx s LYS 68 N -3.55 1.44 0.11 1.61 -0.14 -0.52 -4.92 119.74 113.77 1ufx s LYS 68 Ca 0.47 -1.21 -0.09 0.00 -1.36 0.00 0.00 55.97 53.78 1ufx s LYS 68 Cb 0.40 -1.77 -0.06 0.00 -1.68 0.00 0.00 37.83 34.71 1ufx s LYS 68 CO 0.02 0.43 0.42 -1.21 -0.76 0.00 0.00 175.35 174.26 1ufx s GLU 69 N -1.73 3.76 0.28 1.68 2.02 -1.26 -2.73 118.70 120.72 1ufx s GLU 69 Ca 0.11 0.16 0.12 0.00 0.02 0.00 0.00 54.97 55.38 1ufx s GLU 69 Cb -0.10 -2.93 0.92 0.00 0.10 0.00 0.00 34.13 32.12 1ufx s GLU 69 CO 0.04 0.51 1.26 1.58 0.02 0.00 0.00 175.26 178.67 1ufx n HIS 70 N 0.64 0.79 -0.06 1.61 -0.00 -1.22 0.18 115.22 117.16 1ufx n HIS 70 Ca -0.06 0.95 -0.12 0.00 -0.00 0.00 0.00 57.72 58.49 1ufx n HIS 70 Cb 0.52 -1.27 -0.06 0.00 -0.00 0.00 0.00 29.99 29.18 1ufx n HIS 70 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.34 176.25 1ufx h ARG 71 N 0.00 0.32 -0.76 1.57 1.12 -1.93 -1.27 114.38 113.43 1ufx h ARG 71 Ca 0.61 -0.11 -0.02 0.00 -1.11 0.00 0.00 59.98 59.36 1ufx h ARG 71 Cb 1.53 -0.02 -0.04 0.00 -0.01 0.00 0.00 29.97 31.43 1ufx h ARG 71 CO -0.66 0.56 0.41 1.49 -3.11 0.00 0.00 179.97 178.66 1ufx h GLU 72 N 0.04 1.06 -0.17 0.20 4.81 0.15 -2.91 114.58 117.77 1ufx h GLU 72 Ca 0.05 -0.13 -0.02 0.00 -0.13 0.00 0.00 59.36 59.13 1ufx h GLU 72 Cb 0.43 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 1ufx h GLU 72 CO 0.01 0.79 0.05 0.00 -0.73 0.00 0.00 179.01 179.13 1ufx h ALA 73 N 1.21 0.23 -1.06 2.92 0.00 -0.70 -2.48 119.26 119.38 1ufx h ALA 73 Ca 0.27 -0.14 0.30 0.00 0.00 0.00 0.00 54.91 55.33 1ufx h ALA 73 Cb 0.05 -0.07 -0.12 0.00 0.00 0.00 0.00 17.79 17.65 1ufx h ALA 73 CO -0.04 -0.14 0.65 0.00 0.00 0.00 0.00 179.25 179.72 1ufx h ALA 74 N 0.86 2.13 -0.06 0.00 0.00 -1.03 0.10 119.26 121.26 1ufx h ALA 74 Ca 0.05 0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 1ufx h ALA 74 Cb 0.25 0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.12 1ufx h ALA 74 CO -0.00 -0.63 -0.36 -0.09 0.00 0.00 0.00 179.25 178.18 1ufx h ARG 75 N 0.39 0.34 -0.34 0.00 2.43 -1.39 -2.81 114.38 113.00 1ufx h ARG 75 Ca 0.67 -0.29 0.06 0.00 -0.81 0.00 0.00 59.98 59.61 1ufx h ARG 75 Cb 1.61 0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 31.17 1ufx h ARG 75 CO -0.42 0.95 -0.01 0.82 -1.51 0.00 0.00 179.97 179.79 1ufx h ILE 76 N -0.17 0.74 -0.03 1.20 2.04 -0.42 -0.16 117.51 120.71 1ufx h ILE 76 Ca -0.03 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.81 1ufx h ILE 76 Cb 1.03 0.65 -0.00 0.00 -0.74 0.00 0.00 36.82 37.75 1ufx h ILE 76 CO 0.07 0.02 -0.00 0.40 0.00 0.00 0.00 178.15 178.64 1ufx h ILE 77 N 0.08 0.98 -0.61 -0.67 2.04 -1.20 -2.60 117.51 115.53 1ufx h ILE 77 Ca 0.16 -0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.10 1ufx h ILE 77 Cb 0.23 0.97 -0.06 0.00 -0.74 0.00 0.00 36.82 37.22 1ufx h ILE 77 CO -0.29 0.00 0.27 0.00 0.00 0.00 0.00 178.15 178.14 1ufx h ALA 78 N 1.02 0.80 -0.47 1.87 0.00 -1.17 -0.43 119.26 120.89 1ufx h ALA 78 Ca 0.01 0.06 0.09 0.00 0.00 0.00 0.00 54.91 55.06 1ufx h ALA 78 Cb 0.02 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1ufx h ALA 78 CO -0.02 -0.12 0.32 0.93 0.00 0.00 0.00 179.25 180.36 1ufx h GLU 79 N 0.50 0.26 0.00 0.00 5.08 -0.75 0.65 114.58 120.32 1ufx h GLU 79 Ca 0.30 -0.02 -0.10 0.00 -1.00 0.00 0.00 59.36 58.54 1ufx h GLU 79 Cb 0.30 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 1ufx h GLU 79 CO -0.25 0.17 -0.48 0.00 -1.00 0.00 0.00 179.01 177.46 1ufx h ALA 80 N 1.76 1.17 0.21 3.43 0.00 -0.71 -1.67 119.26 123.45 1ufx h ALA 80 Ca 0.22 -0.43 -0.29 0.00 0.00 0.00 0.00 54.91 54.40 1ufx h ALA 80 Cb 0.50 -0.08 0.03 0.00 0.00 0.00 0.00 17.79 18.24 1ufx h ALA 80 CO -0.04 0.60 -1.31 0.35 0.00 0.00 0.00 179.25 178.84 1ufx h PHE 81 N 0.00 0.81 0.59 0.00 3.57 -0.65 -3.37 116.94 117.88 1ufx h PHE 81 Ca -0.00 -0.59 -0.03 0.00 3.53 0.00 0.00 57.97 60.87 1ufx h PHE 81 Cb 0.87 -0.03 0.01 0.00 2.79 0.00 0.00 35.95 39.58 1ufx h PHE 81 CO 0.00 1.50 -0.28 0.87 -2.23 0.00 0.00 178.31 178.17 1ufx h LYS 82 N -0.03 -0.76 -5.60 1.11 1.57 -1.14 -3.45 116.57 108.27 1ufx h LYS 82 Ca -0.24 0.05 -0.56 0.00 -1.87 0.00 0.00 60.65 58.03 1ufx h LYS 82 Cb 1.99 0.17 0.17 0.00 0.08 0.00 0.00 32.23 34.64 1ufx h LYS 82 CO 0.22 -0.45 -1.05 -2.37 -0.57 0.00 0.00 179.45 175.23 1ufx n THR 83 N -5.34 0.07 -1.17 -0.16 5.66 -0.63 -4.86 114.28 107.85 1ufx n THR 83 Ca -0.11 -0.47 -0.05 0.00 -3.05 0.00 0.00 64.05 60.37 1ufx n THR 83 Cb 0.34 0.00 0.25 0.00 -1.55 0.00 0.00 70.33 69.37 1ufx n THR 83 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1ufx n LYS 84 N 1.38 2.87 0.00 1.09 4.76 -1.26 -4.65 118.16 122.36 1ufx n LYS 84 Ca 0.08 -3.06 -0.01 0.00 -2.87 0.00 0.00 58.31 52.45 1ufx n LYS 84 Cb 0.43 -2.04 -0.00 0.00 -1.84 0.00 0.00 35.03 31.58 1ufx n LYS 84 CO 0.00 0.00 0.00 0.22 -1.37 0.00 0.00 177.40 176.25 1ufx h ASP 85 N 1.83 -0.04 -3.75 4.39 3.58 -1.91 -3.47 116.42 117.05 1ufx h ASP 85 Ca 0.25 0.00 -0.68 0.00 0.42 0.00 0.00 57.03 57.03 1ufx h ASP 85 Cb 2.06 0.01 -0.19 0.00 1.72 0.00 0.00 39.33 42.93 1ufx h ASP 85 CO 0.60 0.13 -0.74 0.00 -2.88 0.00 0.00 179.24 176.35 1ufx s ARG 86 N -1.44 2.35 -0.22 0.28 1.70 -1.26 -5.01 118.95 115.34 1ufx s ARG 86 Ca -0.01 -0.84 -0.00 0.00 -0.47 0.00 0.00 55.73 54.41 1ufx s ARG 86 Cb 0.00 -2.37 0.17 0.00 -0.57 0.00 0.00 34.95 32.18 1ufx s ARG 86 CO 0.02 0.57 1.90 -0.25 -1.08 0.00 0.00 175.30 176.46 1ufx n ASP 87 N 1.50 5.68 -3.33 -2.89 8.00 -1.26 -4.86 116.55 119.40 1ufx n ASP 87 Ca -0.15 -2.84 -0.02 0.00 0.71 0.00 0.00 54.79 52.49 1ufx n ASP 87 Cb 0.52 -1.00 0.02 0.00 -0.02 0.00 0.00 41.12 40.64 1ufx n ASP 87 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ufx n TYR 88 N 0.53 -1.12 -3.68 1.24 0.18 -1.26 -2.74 117.16 110.30 1ufx n TYR 88 Ca 0.22 -1.11 -0.17 0.00 1.88 0.00 0.00 57.90 58.71 1ufx n TYR 88 Cb 0.62 0.54 -0.16 0.00 -0.38 0.00 0.00 39.34 39.95 1ufx n TYR 88 CO 0.00 0.00 0.00 0.42 -2.08 0.00 0.00 176.86 175.20 1ufx s ILE 89 N -2.06 -0.18 -0.23 -3.48 1.01 0.25 -4.85 121.20 111.66 1ufx s ILE 89 Ca 0.24 0.36 -0.29 0.00 0.00 0.00 0.00 60.65 60.95 1ufx s ILE 89 Cb -0.02 -0.23 -0.00 0.00 0.01 0.00 0.00 42.46 42.21 1ufx s ILE 89 CO 0.04 0.15 1.20 -1.81 0.00 0.00 0.00 174.94 174.52 1ufx s ASP 90 N 2.09 6.92 -0.32 3.58 1.11 -1.26 -1.39 116.67 127.39 1ufx s ASP 90 Ca 0.02 1.45 -0.00 0.00 0.18 0.00 0.00 52.55 54.20 1ufx s ASP 90 Cb -0.12 -2.54 0.07 0.00 1.07 0.00 0.00 42.92 41.40 1ufx s ASP 90 CO -0.05 -0.83 0.03 -0.36 1.18 0.00 0.00 175.17 175.14 1ufx s PHE 91 N 3.65 3.42 -0.59 4.23 0.08 0.69 -2.65 117.98 126.81 1ufx s PHE 91 Ca 0.52 -2.26 -0.24 0.00 0.12 0.00 0.00 56.93 55.07 1ufx s PHE 91 Cb -0.18 -2.43 0.05 0.00 -0.57 0.00 0.00 43.02 39.89 1ufx s PHE 91 CO 0.15 -0.88 0.96 -1.17 -0.10 0.00 0.00 175.22 174.18 1ufx s LEU 92 N 1.14 4.15 0.30 -0.37 2.96 -0.77 -0.87 118.68 125.22 1ufx s LEU 92 Ca -0.01 -0.53 0.09 0.00 -0.22 0.00 0.00 54.13 53.46 1ufx s LEU 92 Cb -0.20 -2.70 -0.05 0.00 0.50 0.00 0.00 46.19 43.74 1ufx s LEU 92 CO -0.04 -1.30 0.03 0.68 -1.32 0.00 0.00 176.35 174.40 1ufx s VAL 93 N 4.03 3.12 -0.26 1.68 -7.23 -1.18 -0.41 120.40 120.14 1ufx s VAL 93 Ca 0.28 -1.89 -0.01 0.00 -1.81 0.00 0.00 61.98 58.55 1ufx s VAL 93 Cb -0.14 -2.85 0.14 0.00 0.56 0.00 0.00 36.38 34.09 1ufx s VAL 93 CO 0.17 -0.29 0.35 0.28 -0.31 0.00 0.00 175.10 175.30 1ufx s THR 94 N -2.40 -0.54 -0.76 5.32 -1.32 -1.24 -0.79 115.64 113.92 1ufx s THR 94 Ca 0.34 -0.22 -0.26 0.00 -1.21 0.00 0.00 61.69 60.34 1ufx s THR 94 Cb -0.04 -0.88 -0.12 0.00 -1.51 0.00 0.00 72.50 69.95 1ufx s THR 94 CO 0.20 -0.24 2.39 -1.61 -2.21 0.00 0.00 174.62 173.14 1ufx s GLU 95 N 2.48 1.71 0.65 7.08 8.01 -1.26 -4.58 118.70 132.79 1ufx s GLU 95 Ca 0.11 0.57 -0.18 0.00 0.01 0.00 0.00 54.97 55.48 1ufx s GLU 95 Cb -0.14 -4.77 -0.01 0.00 -4.31 0.00 0.00 34.13 24.90 1ufx s GLU 95 CO -0.23 -4.25 1.27 -0.06 0.01 0.00 0.00 175.26 172.00 1ufx s PHE 96 N 14.24 2.12 -0.16 1.61 0.08 -1.26 -5.02 117.98 129.59 1ufx s PHE 96 Ca 0.92 1.51 0.01 0.00 0.12 0.00 0.00 56.93 59.49 1ufx s PHE 96 Cb -0.13 -3.63 0.02 0.00 -0.57 0.00 0.00 43.02 38.71 1ufx s PHE 96 CO 0.10 -2.76 -0.18 -0.80 -0.10 0.00 0.00 175.22 171.48 1ufx s ASN 97 N -1.51 2.94 -0.05 1.36 -0.87 -1.26 -5.11 114.94 110.44 1ufx s ASN 97 Ca 0.81 -0.58 0.00 0.00 -1.57 0.00 0.00 52.86 51.52 1ufx s ASN 97 Cb -0.35 -1.36 0.02 0.00 -0.02 0.00 0.00 41.25 39.55 1ufx s ASN 97 CO 0.39 -0.01 -0.02 -0.94 -2.57 0.00 0.00 177.10 173.95 1ufx s SER 98 N 1.28 1.05 -0.82 -1.22 1.04 -1.26 -5.09 113.70 108.69 1ufx s SER 98 Ca 0.03 -0.09 -0.04 0.00 0.48 0.00 0.00 55.95 56.33 1ufx s SER 98 Cb -0.13 -0.40 0.21 0.00 0.10 0.00 0.00 66.02 65.79 1ufx s SER 98 CO -0.10 -0.11 0.70 -0.83 0.98 0.00 0.00 173.24 173.87 1ufx s GLY 99 N 1.29 2.86 0.00 7.32 0.00 -1.26 -4.88 107.32 112.65 1ufx s GLY 99 Ca -0.05 -3.60 0.15 0.00 0.00 0.00 0.00 44.72 41.22 1ufx s GLY 99 CO -0.02 1.18 1.37 -1.55 0.00 0.00 0.00 173.10 174.08 1ufx n PRO 100 N 2.91 0.36 -4.01 2.90 -0.04 -1.26 -4.87 135.00 130.98 1ufx n PRO 100 Ca 0.16 0.07 -0.29 0.00 -0.04 0.00 0.00 63.50 63.40 1ufx n PRO 100 Cb 0.39 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.32 1ufx n PRO 100 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1ufx n SER 101 N -1.13 -0.88 -4.11 3.54 3.41 -1.26 -4.96 113.62 108.23 1ufx n SER 101 Ca 0.09 -1.09 -0.09 0.00 -0.26 0.00 0.00 58.87 57.52 1ufx n SER 101 Cb 0.08 -2.65 -0.10 0.00 -0.26 0.00 0.00 64.21 61.28 1ufx n SER 101 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1ufx s SER 102 N -4.21 0.79 0.00 4.04 1.04 -1.26 -5.35 113.70 108.74 1ufx s SER 102 Ca 0.09 -0.89 0.00 0.00 0.48 0.00 0.00 55.95 55.63 1ufx s SER 102 Cb -0.04 0.12 0.00 0.00 0.10 0.00 0.00 66.02 66.20 1ufx s SER 102 CO 0.92 -0.46 0.00 0.61 0.98 0.00 0.00 173.24 175.28