#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ufx s SER 2 N 0.00 -1.17 0.13 1.61 0.15 -1.26 -5.15 113.70 108.01 1ufx s SER 2 Ca 0.00 1.07 -0.27 0.00 0.70 0.00 0.00 55.95 57.44 1ufx s SER 2 Cb 0.00 2.12 -0.07 0.00 -1.71 0.00 0.00 66.02 66.36 1ufx s SER 2 CO 0.00 -0.25 0.85 -0.94 1.20 0.00 0.00 173.24 174.10 1ufx s SER 3 N 2.84 7.42 0.15 5.45 1.04 -1.26 -4.86 113.70 124.48 1ufx s SER 3 Ca 0.11 1.69 0.00 0.00 0.48 0.00 0.00 55.95 58.23 1ufx s SER 3 Cb -0.14 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.45 1ufx s SER 3 CO -0.20 0.07 0.00 0.61 0.98 0.00 0.00 173.24 174.70 1ufx n GLY 4 N 1.97 -1.70 3.55 7.32 0.00 -1.26 -5.06 105.19 110.02 1ufx n GLY 4 Ca -0.02 0.39 -0.36 0.00 0.00 0.00 0.00 46.02 46.03 1ufx n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ufx s SER 5 N -1.55 5.20 0.33 1.61 0.01 -1.26 -4.93 113.70 113.11 1ufx s SER 5 Ca 0.00 0.19 -0.26 0.00 1.31 0.00 0.00 55.95 57.19 1ufx s SER 5 Cb 0.00 -2.53 -0.14 0.00 0.21 0.00 0.00 66.02 63.56 1ufx s SER 5 CO 0.00 -2.47 0.85 -1.20 0.41 0.00 0.00 173.24 170.83 1ufx n SER 6 N 13.13 0.51 0.00 2.44 7.64 -1.26 -4.93 113.62 131.16 1ufx n SER 6 Ca 0.25 1.09 0.00 0.00 1.01 0.00 0.00 58.87 61.22 1ufx n SER 6 Cb 0.51 -1.22 0.00 0.00 -1.01 0.00 0.00 64.21 62.49 1ufx n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ufx n GLY 7 N 1.43 3.09 2.83 0.23 0.00 -1.26 -4.88 105.19 106.63 1ufx n GLY 7 Ca 0.11 -0.97 -0.22 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.00 0.47 -0.20 2.61 2.01 0.14 -4.97 115.64 113.70 1ufx s THR 8 Ca 0.00 -0.01 -0.29 0.00 0.31 0.00 0.00 61.69 61.70 1ufx s THR 8 Cb 0.00 -0.56 -0.00 0.00 0.01 0.00 0.00 72.50 71.94 1ufx s THR 8 CO 0.00 0.25 1.15 -0.22 -0.69 0.00 0.00 174.62 175.11 1ufx s LEU 9 N 1.47 4.13 -0.32 4.42 1.98 -1.26 -1.61 118.68 127.49 1ufx s LEU 9 Ca -0.02 1.51 -0.05 0.00 -2.89 0.00 0.00 54.13 52.68 1ufx s LEU 9 Cb -0.13 -3.54 0.04 0.00 0.66 0.00 0.00 46.19 43.22 1ufx s LEU 9 CO -0.03 -0.73 0.07 -0.69 -1.89 0.00 0.00 176.35 173.08 1ufx s VAL 10 N 3.38 3.60 -0.55 1.68 1.01 0.53 -4.94 120.40 125.10 1ufx s VAL 10 Ca 0.49 -1.13 -0.26 0.00 0.00 0.00 0.00 61.98 61.08 1ufx s VAL 10 Cb -0.18 -3.01 0.04 0.00 0.00 0.00 0.00 36.38 33.22 1ufx s VAL 10 CO 0.11 -0.12 1.05 -0.60 0.00 0.00 0.00 175.10 175.54 1ufx s ARG 11 N 1.38 3.43 -0.37 2.72 3.52 -1.26 -0.26 118.95 128.10 1ufx s ARG 11 Ca -0.02 -0.00 -0.13 0.00 -0.13 0.00 0.00 55.73 55.45 1ufx s ARG 11 Cb -0.19 -4.02 0.01 0.00 -1.56 0.00 0.00 34.95 29.19 1ufx s ARG 11 CO 0.02 -1.54 0.25 0.08 -0.81 0.00 0.00 175.30 173.29 1ufx s VAL 12 N 4.36 5.01 0.39 7.11 1.01 -0.66 -4.96 120.40 132.66 1ufx s VAL 12 Ca 0.36 -0.59 -0.25 0.00 0.00 0.00 0.00 61.98 61.51 1ufx s VAL 12 Cb -0.10 -3.72 -0.09 0.00 0.00 0.00 0.00 36.38 32.47 1ufx s VAL 12 CO 0.23 -0.18 1.07 -0.75 0.00 0.00 0.00 175.10 175.46 1ufx s LYS 13 N 1.65 4.20 0.00 2.72 2.47 -1.26 -0.83 119.74 128.69 1ufx s LYS 13 Ca 0.04 1.58 -0.05 0.00 -1.56 0.00 0.00 55.97 55.98 1ufx s LYS 13 Cb -0.18 -2.63 -0.23 0.00 -1.46 0.00 0.00 37.83 33.33 1ufx s LYS 13 CO 0.09 -0.13 3.23 1.63 0.16 0.00 0.00 175.35 180.33 1ufx n LYS 14 N 0.08 1.75 -0.14 4.03 5.02 -1.12 -4.51 118.16 123.27 1ufx n LYS 14 Ca 0.04 -0.84 -0.07 0.00 -2.02 0.00 0.00 58.31 55.42 1ufx n LYS 14 Cb 0.49 -1.89 0.02 0.00 -0.02 0.00 0.00 35.03 33.63 1ufx n LYS 14 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 1ufx h SER 15 N 3.12 0.43 -3.63 4.39 0.02 -1.91 -3.43 113.55 112.54 1ufx h SER 15 Ca 0.16 -0.00 -0.43 0.00 -0.84 0.00 0.00 61.79 60.68 1ufx h SER 15 Cb 1.35 -0.09 0.18 0.00 0.14 0.00 0.00 62.40 63.97 1ufx h SER 15 CO 0.23 0.31 0.15 0.00 -1.14 0.00 0.00 176.83 176.39 1ufx s ALA 16 N -6.15 0.69 -0.20 3.77 0.00 -1.26 -4.97 121.76 113.64 1ufx s ALA 16 Ca -0.13 -0.73 0.18 0.00 0.00 0.00 0.00 51.96 51.28 1ufx s ALA 16 Cb 0.12 -2.97 0.03 0.00 0.00 0.00 0.00 23.12 20.29 1ufx s ALA 16 CO 0.73 -3.33 1.21 0.00 0.00 0.00 0.00 175.76 174.36 1ufx h ALA 17 N -2.34 0.68 -2.45 0.00 0.00 -1.90 -3.46 119.26 109.79 1ufx h ALA 17 Ca -0.49 -0.45 -0.07 0.00 0.00 0.00 0.00 54.91 53.90 1ufx h ALA 17 Cb 1.31 0.05 -0.25 0.00 0.00 0.00 0.00 17.79 18.91 1ufx h ALA 17 CO 0.43 0.54 -0.19 -0.08 0.00 0.00 0.00 179.25 179.95 1ufx s THR 18 N -3.04 -0.02 -0.46 0.00 -1.32 -1.26 -5.12 115.64 104.42 1ufx s THR 18 Ca 0.02 0.06 -0.29 0.00 -1.21 0.00 0.00 61.69 60.27 1ufx s THR 18 Cb 0.08 -0.73 0.02 0.00 -1.51 0.00 0.00 72.50 70.36 1ufx s THR 18 CO 0.76 0.02 1.26 -0.22 -2.21 0.00 0.00 174.62 174.24 1ufx s LEU 19 N 1.37 3.59 -0.34 9.08 2.96 -1.26 -4.01 118.68 130.07 1ufx s LEU 19 Ca -0.09 0.58 -0.08 0.00 -0.22 0.00 0.00 54.13 54.32 1ufx s LEU 19 Cb -0.07 -3.51 0.03 0.00 0.50 0.00 0.00 46.19 43.14 1ufx s LEU 19 CO -0.14 -1.36 0.13 -0.83 -1.32 0.00 0.00 176.35 172.83 1ufx s GLY 20 N 3.15 1.85 0.05 7.98 0.00 -1.26 -4.94 107.32 114.15 1ufx s GLY 20 Ca 0.53 -1.67 -0.13 0.00 0.00 0.00 0.00 44.72 43.45 1ufx s GLY 20 CO 0.32 0.76 0.29 -0.26 0.00 0.00 0.00 173.10 174.21 1ufx s ILE 21 N 1.46 0.09 0.08 0.90 -4.36 -1.26 -2.02 121.20 116.10 1ufx s ILE 21 Ca 0.00 -0.72 0.06 0.00 -0.26 0.00 0.00 60.65 59.73 1ufx s ILE 21 Cb -0.19 -0.95 -0.03 0.00 1.25 0.00 0.00 42.46 42.54 1ufx s ILE 21 CO 0.04 -0.40 -0.15 0.00 0.24 0.00 0.00 174.94 174.67 1ufx s ALA 22 N -2.62 1.30 0.30 2.27 0.00 0.12 -4.92 121.76 118.22 1ufx s ALA 22 Ca -0.05 -1.08 -0.02 0.00 0.00 0.00 0.00 51.96 50.81 1ufx s ALA 22 Cb -0.01 -0.11 -0.01 0.00 0.00 0.00 0.00 23.12 22.99 1ufx s ALA 22 CO -0.04 0.17 0.38 0.96 0.00 0.00 0.00 175.76 177.23 1ufx s ILE 23 N -1.43 0.00 -0.23 0.00 -4.36 -1.26 -2.23 121.20 111.69 1ufx s ILE 23 Ca 0.01 -1.71 -0.19 0.00 -0.26 0.00 0.00 60.65 58.49 1ufx s ILE 23 Cb -0.09 -2.52 0.06 0.00 1.25 0.00 0.00 42.46 41.16 1ufx s ILE 23 CO 0.03 0.00 0.59 -1.83 0.24 0.00 0.00 174.94 173.97 1ufx s GLU 24 N -3.48 0.67 0.00 0.37 -1.05 -0.53 -4.79 118.70 109.90 1ufx s GLU 24 Ca 0.33 0.88 0.00 0.00 -0.15 0.00 0.00 54.97 56.02 1ufx s GLU 24 Cb 0.01 0.28 0.00 0.00 -0.44 0.00 0.00 34.13 33.99 1ufx s GLU 24 CO 0.18 -0.10 0.00 0.41 0.95 0.00 0.00 175.26 176.71 1ufx n GLY 25 N 3.09 0.83 0.00 -3.83 0.00 -1.26 -1.95 105.19 102.08 1ufx n GLY 25 Ca -0.15 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 43.95 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 4.54 0.45 -0.02 0.00 -0.23 -2.72 105.19 107.22 1ufx n GLY 26 Ca 0.00 -0.90 0.19 0.00 0.00 0.00 0.00 46.02 45.31 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 2.50 0.24 4.61 0.00 -1.29 -0.13 119.26 125.19 1ufx h ALA 27 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1ufx h ALA 27 Cb 0.00 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1ufx h ALA 27 CO 0.00 -1.31 -0.12 -0.97 0.00 0.00 0.00 179.25 176.86 1ufx h ASN 28 N 0.00 -0.27 -3.25 0.00 -0.73 -1.88 -3.45 115.58 105.99 1ufx h ASN 28 Ca 0.30 0.01 -0.42 0.00 1.87 0.00 0.00 56.30 58.05 1ufx h ASN 28 Cb 2.27 0.07 0.21 0.00 0.27 0.00 0.00 38.32 41.13 1ufx h ASN 28 CO -0.00 0.00 -0.00 0.28 -0.37 0.00 0.00 177.43 177.34 1ufx s THR 29 N -2.67 1.79 0.45 -3.57 -1.32 -0.06 -4.85 115.64 105.41 1ufx s THR 29 Ca -0.05 0.00 0.22 0.00 -1.21 0.00 0.00 61.69 60.65 1ufx s THR 29 Cb 0.00 -2.13 0.42 0.00 -1.51 0.00 0.00 72.50 69.28 1ufx s THR 29 CO 0.14 0.00 1.83 -0.09 -2.21 0.00 0.00 174.62 174.29 1ufx h ARG 30 N -2.78 0.28 -5.92 7.08 2.43 -1.90 -3.38 114.38 110.21 1ufx h ARG 30 Ca -0.57 -0.02 -0.60 0.00 -0.81 0.00 0.00 59.98 57.99 1ufx h ARG 30 Cb 1.34 -0.06 -0.09 0.00 -0.42 0.00 0.00 29.97 30.73 1ufx h ARG 30 CO 0.46 0.19 0.51 -1.14 -1.51 0.00 0.00 179.97 178.47 1ufx s GLN 31 N -5.32 3.94 0.02 0.20 2.00 -1.26 -4.95 119.66 114.30 1ufx s GLN 31 Ca -0.07 0.65 -0.22 0.00 -2.00 0.00 0.00 55.36 53.72 1ufx s GLN 31 Cb 0.23 -3.75 -0.16 0.00 0.80 0.00 0.00 33.01 30.13 1ufx s GLN 31 CO 0.79 -0.78 1.32 -1.00 -0.50 0.00 0.00 175.29 175.12 1ufx h PRO 32 N 8.20 0.26 -6.14 1.67 0.13 -1.74 -0.58 132.00 133.79 1ufx h PRO 32 Ca -0.23 -0.13 -0.56 0.00 -0.87 0.00 0.00 66.00 64.20 1ufx h PRO 32 Cb 1.09 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.17 1ufx h PRO 32 CO 0.93 0.67 -0.53 -0.51 -0.23 0.00 0.00 178.00 178.33 1ufx s LEU 33 N -9.14 3.99 0.31 1.56 2.01 -1.26 -2.36 118.68 113.80 1ufx s LEU 33 Ca -0.15 -0.03 -0.29 0.00 0.01 0.00 0.00 54.13 53.68 1ufx s LEU 33 Cb 0.04 -2.59 -0.10 0.00 0.01 0.00 0.00 46.19 43.55 1ufx s LEU 33 CO 0.73 0.06 1.23 -2.16 1.01 0.00 0.00 176.35 177.22 1ufx s PRO 34 N -3.17 4.46 -0.13 1.29 0.04 -1.25 -4.42 135.00 131.83 1ufx s PRO 34 Ca 0.32 2.06 0.02 0.00 0.04 0.00 0.00 61.00 63.43 1ufx s PRO 34 Cb -0.10 -3.11 -0.00 0.00 0.04 0.00 0.00 34.50 31.33 1ufx s PRO 34 CO 0.25 -0.04 -0.18 0.50 0.04 0.00 0.00 177.00 177.57 1ufx s ARG 35 N -1.68 3.18 -0.21 4.56 3.52 -0.82 -1.20 118.95 126.30 1ufx s ARG 35 Ca 0.47 -0.79 -0.29 0.00 -0.13 0.00 0.00 55.73 55.00 1ufx s ARG 35 Cb -0.37 -2.50 -0.04 0.00 -1.56 0.00 0.00 34.95 30.48 1ufx s ARG 35 CO 0.48 0.11 1.98 0.42 -0.81 0.00 0.00 175.30 177.48 1ufx s ILE 36 N 0.56 3.24 -0.18 4.11 1.01 0.20 -1.45 121.20 128.68 1ufx s ILE 36 Ca -0.11 0.26 0.17 0.00 0.00 0.00 0.00 60.65 60.96 1ufx s ILE 36 Cb -0.16 -3.29 -0.24 0.00 0.01 0.00 0.00 42.46 38.78 1ufx s ILE 36 CO 0.04 -0.15 0.13 1.33 0.00 0.00 0.00 174.94 176.29 1ufx n VAL 37 N 7.14 1.42 -3.75 2.92 0.24 -0.95 -0.60 118.33 124.75 1ufx n VAL 37 Ca 0.25 -0.84 -0.12 0.00 -2.04 0.00 0.00 64.34 61.58 1ufx n VAL 37 Cb 0.45 -0.58 -0.12 0.00 -1.47 0.00 0.00 33.84 32.12 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 -2.51 -0.01 -0.30 3.34 2.01 -1.23 -4.79 115.64 112.15 1ufx s THR 38 Ca -0.10 0.05 0.04 0.00 0.31 0.00 0.00 61.69 61.98 1ufx s THR 38 Cb 0.06 -0.42 0.08 0.00 0.01 0.00 0.00 72.50 72.24 1ufx s THR 38 CO 0.82 0.02 -0.02 -0.63 -0.69 0.00 0.00 174.62 174.12 1ufx s ILE 39 N 0.57 2.22 0.15 1.82 1.01 -1.26 0.16 121.20 125.87 1ufx s ILE 39 Ca -0.03 -2.03 -0.34 0.00 0.00 0.00 0.00 60.65 58.24 1ufx s ILE 39 Cb -0.05 -2.50 -0.15 0.00 0.01 0.00 0.00 42.46 39.77 1ufx s ILE 39 CO -0.03 -0.35 1.45 0.00 0.00 0.00 0.00 174.94 176.00 1ufx n GLN 40 N 4.33 1.74 -0.25 2.79 6.02 -0.85 -4.88 117.38 126.28 1ufx n GLN 40 Ca -0.04 0.63 -0.07 0.00 -0.01 0.00 0.00 57.00 57.51 1ufx n GLN 40 Cb 0.42 -2.32 0.05 0.00 1.02 0.00 0.00 30.24 29.40 1ufx n GLN 40 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ufx h ARG 41 N 5.10 1.10 -2.58 -1.09 -0.00 -1.99 -3.21 114.38 111.71 1ufx h ARG 41 Ca -0.46 -0.25 -0.47 0.00 -0.50 0.00 0.00 59.98 58.31 1ufx h ARG 41 Cb 1.29 -0.15 -0.01 0.00 0.00 0.00 0.00 29.97 31.09 1ufx h ARG 41 CO 0.82 0.96 2.07 0.41 0.00 0.00 0.00 179.97 184.23 1ufx n GLY 42 N -0.71 3.72 1.85 0.04 0.00 -1.26 -4.56 105.19 104.28 1ufx n GLY 42 Ca 0.05 -1.38 -0.08 0.00 0.00 0.00 0.00 46.02 44.61 1ufx n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ufx n GLY 43 N 3.12 2.69 0.12 -0.02 0.00 -1.21 -4.50 105.19 105.39 1ufx n GLY 43 Ca 0.64 -1.55 -0.20 0.00 0.00 0.00 0.00 46.02 44.90 1ufx n GLY 43 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1ufx h SER 44 N 1.10 0.40 -0.96 1.61 4.64 -1.88 -2.98 113.55 115.49 1ufx h SER 44 Ca -0.15 -0.90 0.22 0.00 -0.47 0.00 0.00 61.79 60.49 1ufx h SER 44 Cb 0.66 -0.13 -0.08 0.00 -0.31 0.00 0.00 62.40 62.54 1ufx h SER 44 CO 0.20 1.47 0.62 0.00 -0.87 0.00 0.00 176.83 178.26 1ufx h ALA 45 N 0.01 2.13 0.01 5.18 0.00 -1.89 -1.24 119.26 123.47 1ufx h ALA 45 Ca -0.21 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 1ufx h ALA 45 Cb 1.66 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.43 1ufx h ALA 45 CO 0.10 -0.46 -0.17 1.25 0.00 0.00 0.00 179.25 179.97 1ufx h HIS 46 N 0.46 0.14 -0.03 0.00 6.17 -1.76 -3.23 115.15 116.90 1ufx h HIS 46 Ca 0.52 -0.09 0.02 0.00 0.71 0.00 0.00 60.37 61.53 1ufx h HIS 46 Cb 1.22 -0.01 -0.04 0.00 2.52 0.00 0.00 27.41 31.10 1ufx h HIS 46 CO -0.00 0.96 -0.40 -0.91 0.71 0.00 0.00 177.93 178.29 1ufx h ASN 47 N -0.73 -1.25 -0.85 3.26 2.35 -1.14 -1.71 115.58 115.52 1ufx h ASN 47 Ca -0.02 0.14 0.21 0.00 -0.55 0.00 0.00 56.30 56.08 1ufx h ASN 47 Cb 1.02 0.48 -0.15 0.00 0.05 0.00 0.00 38.32 39.72 1ufx h ASN 47 CO 0.03 -0.38 0.03 0.00 -1.65 0.00 0.00 177.43 175.46 1ufx n GLY 49 N -1.45 2.76 0.35 0.00 0.00 -0.64 -4.82 105.19 101.39 1ufx n GLY 49 Ca 0.17 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.39 1ufx n GLY 49 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1ufx h GLN 50 N 0.49 0.51 -7.21 1.61 4.15 -1.86 -3.41 115.11 109.38 1ufx h GLN 50 Ca 0.00 -0.03 -0.45 0.00 0.77 0.00 0.00 58.65 58.94 1ufx h GLN 50 Cb 0.00 -0.11 0.07 0.00 0.21 0.00 0.00 27.48 27.65 1ufx h GLN 50 CO 0.00 0.34 0.18 -0.51 -1.93 0.00 0.00 178.83 176.90 1ufx s LEU 51 N -10.32 2.91 0.16 -2.39 1.43 -1.26 -5.12 118.68 104.09 1ufx s LEU 51 Ca -0.10 0.31 -0.10 0.00 -1.03 0.00 0.00 54.13 53.21 1ufx s LEU 51 Cb 0.28 -2.98 -0.00 0.00 0.03 0.00 0.00 46.19 43.52 1ufx s LEU 51 CO 0.80 -1.56 0.30 -0.54 0.23 0.00 0.00 176.35 175.58 1ufx s LYS 52 N -5.16 1.14 -0.48 1.70 -0.14 -1.26 -4.98 119.74 110.55 1ufx s LYS 52 Ca 0.60 -1.10 -0.29 0.00 -1.36 0.00 0.00 55.97 53.83 1ufx s LYS 52 Cb -0.10 0.39 0.02 0.00 -1.68 0.00 0.00 37.83 36.46 1ufx s LYS 52 CO 0.44 -0.42 1.32 0.08 -0.76 0.00 0.00 175.35 176.01 1ufx s VAL 53 N -3.94 3.96 0.00 3.17 1.01 -1.26 -3.35 120.40 120.00 1ufx s VAL 53 Ca 0.14 0.94 0.00 0.00 0.00 0.00 0.00 61.98 63.06 1ufx s VAL 53 Cb 0.03 -4.41 0.00 0.00 0.00 0.00 0.00 36.38 32.00 1ufx s VAL 53 CO -0.02 -0.98 0.00 0.61 0.00 0.00 0.00 175.10 174.71 1ufx n GLY 54 N 5.07 -0.21 3.86 4.51 0.00 0.23 -4.98 105.19 113.67 1ufx n GLY 54 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.71 1.54 -0.19 1.61 3.76 -1.21 -4.69 115.29 115.40 1ufx s HIS 55 Ca 0.00 0.40 -0.04 0.00 -0.15 0.00 0.00 55.06 55.27 1ufx s HIS 55 Cb 0.00 -3.93 0.06 0.00 1.11 0.00 0.00 32.58 29.82 1ufx s HIS 55 CO 0.00 -2.79 0.07 0.08 -0.85 0.00 0.00 174.74 171.24 1ufx s VAL 56 N -3.69 0.24 -0.33 -0.90 1.01 -1.26 0.59 120.40 116.06 1ufx s VAL 56 Ca 0.72 -0.42 -0.29 0.00 0.00 0.00 0.00 61.98 61.99 1ufx s VAL 56 Cb -0.06 -0.85 -0.00 0.00 0.00 0.00 0.00 36.38 35.48 1ufx s VAL 56 CO 0.53 -0.28 1.39 -0.63 0.00 0.00 0.00 175.10 176.12 1ufx s ILE 57 N 1.99 3.98 -0.13 2.22 1.01 -0.34 -3.74 121.20 126.20 1ufx s ILE 57 Ca 0.01 1.07 0.20 0.00 0.00 0.00 0.00 60.65 61.93 1ufx s ILE 57 Cb -0.17 -4.10 -0.29 0.00 0.01 0.00 0.00 42.46 37.92 1ufx s ILE 57 CO -0.10 -0.54 0.24 0.18 0.00 0.00 0.00 174.94 174.71 1ufx n LEU 58 N 8.20 0.00 -3.80 2.97 4.77 0.62 -3.76 117.00 126.01 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 0.47 0.29 -0.10 0.00 -2.33 0.00 0.00 43.42 41.75 1ufx n LEU 58 CO 0.66 0.29 -0.07 -0.70 -1.33 0.00 0.00 177.39 176.24 1ufx s GLU 59 N -2.91 0.43 -0.18 3.23 2.12 -1.24 -0.18 118.70 119.96 1ufx s GLU 59 Ca -0.09 0.07 -0.04 0.00 0.36 0.00 0.00 54.97 55.26 1ufx s GLU 59 Cb 0.09 0.20 0.06 0.00 0.26 0.00 0.00 34.13 34.74 1ufx s GLU 59 CO 0.86 -0.09 0.07 0.08 -0.54 0.00 0.00 175.26 175.65 1ufx s VAL 60 N -0.54 0.11 -1.55 3.70 1.01 0.78 -1.67 120.40 122.24 1ufx s VAL 60 Ca -0.06 -0.32 -0.01 0.00 0.00 0.00 0.00 61.98 61.59 1ufx s VAL 60 Cb -0.04 -0.74 0.00 0.00 0.00 0.00 0.00 36.38 35.61 1ufx s VAL 60 CO 0.02 -0.28 0.10 0.59 0.00 0.00 0.00 175.10 175.52 1ufx n ASN 61 N 5.20 -5.41 0.00 3.32 4.13 -1.12 -2.04 115.26 119.35 1ufx n ASN 61 Ca -0.08 -0.06 0.00 0.00 1.68 0.00 0.00 54.58 56.13 1ufx n ASN 61 Cb 0.48 -4.43 0.00 0.00 -1.54 0.00 0.00 39.78 34.29 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 -1.09 3.05 3.64 7.41 0.00 -1.26 -5.02 105.19 111.91 1ufx n GLY 62 Ca -0.20 -0.43 -0.43 0.00 0.00 0.00 0.00 46.02 44.97 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 3.98 0.21 0.99 1.02 -0.87 -5.00 118.68 119.02 1ufx s LEU 63 Ca 0.00 1.49 -0.28 0.00 0.02 0.00 0.00 54.13 55.36 1ufx s LEU 63 Cb 0.00 -3.54 -0.09 0.00 0.02 0.00 0.00 46.19 42.59 1ufx s LEU 63 CO 0.00 -1.04 0.87 0.28 0.02 0.00 0.00 176.35 176.47 1ufx s THR 64 N 4.37 4.20 -1.27 5.49 -1.32 -1.26 -0.16 115.64 125.70 1ufx s THR 64 Ca 0.61 1.92 0.15 0.00 -1.21 0.00 0.00 61.69 63.15 1ufx s THR 64 Cb -0.21 -4.24 0.58 0.00 -1.51 0.00 0.00 72.50 67.12 1ufx s THR 64 CO 0.23 0.50 1.45 0.18 -2.21 0.00 0.00 174.62 174.78 1ufx n LEU 65 N 1.51 3.86 -0.35 9.08 4.77 0.74 -4.43 117.00 132.19 1ufx n LEU 65 Ca -0.03 -1.95 0.12 0.00 -0.03 0.00 0.00 56.01 54.12 1ufx n LEU 65 Cb 0.48 -0.51 0.31 0.00 -2.33 0.00 0.00 43.42 41.37 1ufx n LEU 65 CO 0.48 0.67 1.20 0.08 -1.33 0.00 0.00 177.39 178.50 1ufx h ARG 66 N 3.29 0.78 -0.38 3.23 0.11 -1.86 -1.84 114.38 117.70 1ufx h ARG 66 Ca 0.00 -0.05 -0.27 0.00 0.10 0.00 0.00 59.98 59.76 1ufx h ARG 66 Cb 1.19 -0.18 -0.20 0.00 1.11 0.00 0.00 29.97 31.90 1ufx h ARG 66 CO 0.18 0.52 -0.52 0.41 0.10 0.00 0.00 179.97 180.66 1ufx n GLY 67 N -1.33 5.64 3.38 0.08 0.00 -1.26 -4.75 105.19 106.94 1ufx n GLY 67 Ca 0.23 -1.88 -0.29 0.00 0.00 0.00 0.00 46.02 44.08 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 -3.41 1.58 0.17 1.61 -0.14 -0.69 -4.93 119.74 113.93 1ufx s LYS 68 Ca 0.45 -1.25 -0.14 0.00 -1.36 0.00 0.00 55.97 53.68 1ufx s LYS 68 Cb 0.40 -1.94 -0.07 0.00 -1.68 0.00 0.00 37.83 34.53 1ufx s LYS 68 CO -0.02 0.48 0.56 -1.21 -0.76 0.00 0.00 175.35 174.40 1ufx s GLU 69 N -1.75 3.96 0.24 1.68 2.02 -1.26 -2.79 118.70 120.80 1ufx s GLU 69 Ca 0.13 0.47 0.05 0.00 0.02 0.00 0.00 54.97 55.65 1ufx s GLU 69 Cb -0.10 -2.86 0.69 0.00 0.10 0.00 0.00 34.13 31.96 1ufx s GLU 69 CO 0.05 0.44 1.17 1.58 0.02 0.00 0.00 175.26 178.52 1ufx n HIS 70 N 0.59 0.59 0.05 1.61 -0.00 -1.10 0.15 115.22 117.11 1ufx n HIS 70 Ca -0.04 0.90 -0.13 0.00 -0.00 0.00 0.00 57.72 58.45 1ufx n HIS 70 Cb 0.52 -1.13 -0.08 0.00 -0.00 0.00 0.00 29.99 29.30 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 -0.07 -0.69 1.57 1.12 -1.93 -1.82 114.38 112.57 1ufx h ARG 71 Ca 0.50 0.01 0.08 0.00 -1.11 0.00 0.00 59.98 59.46 1ufx h ARG 71 Cb 1.14 0.02 -0.04 0.00 -0.01 0.00 0.00 29.97 31.08 1ufx h ARG 71 CO -0.67 0.10 0.45 1.49 -3.11 0.00 0.00 179.97 178.24 1ufx h GLU 72 N -0.24 0.60 0.06 0.20 4.57 0.95 -2.40 114.58 118.32 1ufx h GLU 72 Ca -0.01 -0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.13 1ufx h GLU 72 Cb 0.21 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 28.67 1ufx h GLU 72 CO 0.01 0.40 -0.03 0.00 -1.18 0.00 0.00 179.01 178.21 1ufx h ALA 73 N 1.64 -0.09 -1.22 2.92 0.00 -0.74 -2.54 119.26 119.24 1ufx h ALA 73 Ca 0.31 -0.18 0.36 0.00 0.00 0.00 0.00 54.91 55.41 1ufx h ALA 73 Cb 0.40 0.03 -0.10 0.00 0.00 0.00 0.00 17.79 18.12 1ufx h ALA 73 CO -0.10 -0.37 0.80 0.00 0.00 0.00 0.00 179.25 179.57 1ufx h ALA 74 N 0.47 2.61 0.00 0.00 0.00 -0.81 0.24 119.26 121.77 1ufx h ALA 74 Ca -0.01 0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 1ufx h ALA 74 Cb 0.38 0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.30 1ufx h ALA 74 CO 0.01 -1.12 -0.41 -0.09 0.00 0.00 0.00 179.25 177.64 1ufx h ARG 75 N 0.20 0.28 -0.35 0.00 2.43 -1.41 -2.88 114.38 112.64 1ufx h ARG 75 Ca 0.71 -0.30 0.06 0.00 -0.81 0.00 0.00 59.98 59.64 1ufx h ARG 75 Cb 2.16 0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 31.74 1ufx h ARG 75 CO -0.31 1.01 0.03 0.82 -1.51 0.00 0.00 179.97 180.00 1ufx h ILE 76 N -0.33 0.77 0.20 1.20 2.04 -0.17 -0.34 117.51 120.88 1ufx h ILE 76 Ca -0.05 -0.04 -0.01 0.00 1.00 0.00 0.00 64.86 65.76 1ufx h ILE 76 Cb 1.15 0.63 -0.00 0.00 -0.74 0.00 0.00 36.82 37.86 1ufx h ILE 76 CO 0.08 0.02 -0.12 0.40 0.00 0.00 0.00 178.15 178.54 1ufx h ILE 77 N 0.13 0.76 -0.83 -0.67 2.04 -1.23 -2.59 117.51 115.12 1ufx h ILE 77 Ca 0.17 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.15 1ufx h ILE 77 Cb 0.22 0.76 -0.08 0.00 -0.74 0.00 0.00 36.82 36.97 1ufx h ILE 77 CO -0.26 0.00 0.45 0.00 0.00 0.00 0.00 178.15 178.33 1ufx h ALA 78 N 0.49 1.21 -0.05 1.87 0.00 -1.24 0.91 119.26 122.45 1ufx h ALA 78 Ca -0.02 0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1ufx h ALA 78 Cb 0.25 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1ufx h ALA 78 CO 0.03 -0.01 0.04 0.93 0.00 0.00 0.00 179.25 180.24 1ufx h GLU 79 N 0.69 0.02 0.00 0.00 5.08 -0.74 0.81 114.58 120.44 1ufx h GLU 79 Ca 0.43 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.79 1ufx h GLU 79 Cb 0.51 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1ufx h GLU 79 CO -0.31 0.01 0.00 0.00 -1.00 0.00 0.00 179.01 177.71 1ufx h ALA 80 N 1.97 1.00 0.06 3.43 0.00 -0.44 -2.81 119.26 122.46 1ufx h ALA 80 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.57 1ufx h ALA 80 Cb 0.08 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 1ufx h ALA 80 CO -0.00 0.00 -2.18 0.34 0.00 0.00 0.00 179.25 177.41 1ufx n PHE 81 N -2.66 0.67 0.24 0.00 7.35 0.18 -4.57 117.46 118.68 1ufx n PHE 81 Ca 0.02 0.16 -0.10 0.00 -0.76 0.00 0.00 57.45 56.77 1ufx n PHE 81 Cb 0.31 -1.09 -0.05 0.00 0.35 0.00 0.00 39.48 39.00 1ufx n PHE 81 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 1ufx h LYS 82 N 0.03 -0.61 -4.97 -4.13 1.57 -1.24 -3.45 116.57 103.78 1ufx h LYS 82 Ca -0.48 0.04 -0.53 0.00 -1.87 0.00 0.00 60.65 57.81 1ufx h LYS 82 Cb 2.00 0.14 0.11 0.00 0.08 0.00 0.00 32.23 34.56 1ufx h LYS 82 CO 0.02 -0.40 -0.62 -2.37 -0.57 0.00 0.00 179.45 175.50 1ufx n THR 83 N -3.93 1.06 -0.03 -0.16 5.66 -1.07 -4.89 114.28 110.92 1ufx n THR 83 Ca -0.08 -0.41 -0.09 0.00 -3.05 0.00 0.00 64.05 60.42 1ufx n THR 83 Cb 0.25 0.00 -0.14 0.00 -1.55 0.00 0.00 70.33 68.88 1ufx n THR 83 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 1ufx n LYS 84 N 0.98 0.64 -0.17 1.09 2.85 -1.26 -4.43 118.16 117.87 1ufx n LYS 84 Ca 0.12 0.25 -0.08 0.00 -1.05 0.00 0.00 58.31 57.54 1ufx n LYS 84 Cb 0.27 -1.75 -0.06 0.00 -0.65 0.00 0.00 35.03 32.84 1ufx n LYS 84 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 1ufx h ASP 85 N 0.00 -1.30 -3.35 -5.58 3.32 -1.98 -3.38 116.42 104.16 1ufx h ASP 85 Ca -0.33 0.18 -0.57 0.00 0.02 0.00 0.00 57.03 56.33 1ufx h ASP 85 Cb 2.05 0.55 -0.07 0.00 0.22 0.00 0.00 39.33 42.08 1ufx h ASP 85 CO 0.07 -0.21 -0.06 -0.60 -1.72 0.00 0.00 179.24 176.72 1ufx s ARG 86 N -4.68 4.36 -0.29 3.56 3.52 -1.26 -4.95 118.95 119.20 1ufx s ARG 86 Ca -0.09 0.58 0.08 0.00 -0.13 0.00 0.00 55.73 56.18 1ufx s ARG 86 Cb 0.06 -3.45 0.66 0.00 -1.56 0.00 0.00 34.95 30.66 1ufx s ARG 86 CO 0.40 0.10 1.69 -0.40 -0.81 0.00 0.00 175.30 176.28 1ufx n ASP 87 N 3.81 4.50 -3.49 -2.12 5.68 -1.26 -4.88 116.55 118.79 1ufx n ASP 87 Ca -0.05 -3.08 -0.06 0.00 -0.50 0.00 0.00 54.79 51.09 1ufx n ASP 87 Cb 0.51 -0.72 -0.00 0.00 -1.14 0.00 0.00 41.12 39.77 1ufx n ASP 87 CO 0.00 0.00 0.00 -0.72 -1.33 0.00 0.00 177.20 175.15 1ufx s TYR 88 N -2.70 -0.05 -0.09 2.11 -0.85 -1.26 -2.80 117.35 111.70 1ufx s TYR 88 Ca 0.49 -0.44 -0.00 0.00 -0.52 0.00 0.00 57.07 56.60 1ufx s TYR 88 Cb 0.39 0.74 0.02 0.00 0.38 0.00 0.00 41.96 43.49 1ufx s TYR 88 CO 0.12 -1.24 -0.06 0.42 -1.52 0.00 0.00 175.55 173.27 1ufx s ILE 89 N -3.11 0.83 -0.26 -3.49 1.01 -0.01 -4.84 121.20 111.34 1ufx s ILE 89 Ca 0.14 -0.20 -0.27 0.00 0.00 0.00 0.00 60.65 60.32 1ufx s ILE 89 Cb -0.05 -0.87 0.01 0.00 0.01 0.00 0.00 42.46 41.57 1ufx s ILE 89 CO 0.07 0.32 0.98 -1.81 0.00 0.00 0.00 174.94 174.50 1ufx s ASP 90 N 1.53 6.96 -0.32 3.58 1.01 -1.26 -1.66 116.67 126.51 1ufx s ASP 90 Ca 0.00 1.15 -0.02 0.00 0.71 0.00 0.00 52.55 54.40 1ufx s ASP 90 Cb -0.13 -2.50 0.06 0.00 1.01 0.00 0.00 42.92 41.36 1ufx s ASP 90 CO -0.05 -0.68 0.04 -0.36 0.21 0.00 0.00 175.17 174.33 1ufx s PHE 91 N 3.20 3.34 -0.49 4.23 0.08 0.64 -2.77 117.98 126.20 1ufx s PHE 91 Ca 0.41 -1.99 -0.22 0.00 0.12 0.00 0.00 56.93 55.25 1ufx s PHE 91 Cb -0.14 -2.34 0.04 0.00 -0.57 0.00 0.00 43.02 40.01 1ufx s PHE 91 CO 0.09 -0.83 0.77 -1.17 -0.10 0.00 0.00 175.22 173.98 1ufx s LEU 92 N 1.23 4.41 0.29 -0.37 2.96 -0.67 -0.34 118.68 126.18 1ufx s LEU 92 Ca -0.02 -0.40 0.10 0.00 -0.22 0.00 0.00 54.13 53.59 1ufx s LEU 92 Cb -0.20 -2.77 -0.05 0.00 0.50 0.00 0.00 46.19 43.67 1ufx s LEU 92 CO -0.02 -0.98 -0.06 0.68 -1.32 0.00 0.00 176.35 174.65 1ufx s VAL 93 N 3.27 2.93 -0.01 1.68 -7.23 -0.63 -0.28 120.40 120.13 1ufx s VAL 93 Ca 0.26 -2.09 0.02 0.00 -1.81 0.00 0.00 61.98 58.36 1ufx s VAL 93 Cb -0.14 -2.66 -0.03 0.00 0.56 0.00 0.00 36.38 34.11 1ufx s VAL 93 CO 0.19 -0.34 0.05 1.07 -0.31 0.00 0.00 175.10 175.75 1ufx n THR 94 N -0.82 0.00 -3.57 5.32 5.66 -1.24 0.26 114.28 119.88 1ufx n THR 94 Ca -0.05 -0.09 -0.21 0.00 -3.05 0.00 0.00 64.05 60.64 1ufx n THR 94 Cb 0.60 0.51 0.05 0.00 -1.55 0.00 0.00 70.33 69.94 1ufx n THR 94 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1ufx n GLU 95 N -1.52 -3.85 -1.30 1.09 1.02 -1.26 -4.85 120.64 109.98 1ufx n GLU 95 Ca -0.00 0.67 -0.41 0.00 -0.02 0.00 0.00 57.16 57.39 1ufx n GLU 95 Cb 0.05 -5.19 -0.00 0.00 -0.02 0.00 0.00 31.44 26.28 1ufx n GLU 95 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1ufx n PHE 96 N -4.02 -2.17 -2.25 -0.32 3.72 -1.26 -4.71 117.46 106.45 1ufx n PHE 96 Ca -0.21 0.60 -0.33 0.00 -0.05 0.00 0.00 57.45 57.46 1ufx n PHE 96 Cb 0.65 -1.77 -0.04 0.00 -0.94 0.00 0.00 39.48 37.38 1ufx n PHE 96 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1ufx s ASN 97 N -1.00 5.66 1.03 4.37 3.84 -1.26 -4.96 114.94 122.62 1ufx s ASN 97 Ca 0.59 -1.67 -0.21 0.00 0.21 0.00 0.00 52.86 51.78 1ufx s ASN 97 Cb -0.62 -2.58 -0.06 0.00 -0.55 0.00 0.00 41.25 37.44 1ufx s ASN 97 CO 0.63 -2.38 -0.69 -0.24 -2.79 0.00 0.00 177.10 171.63 1ufx n SER 98 N 12.23 -3.22 0.00 -4.21 2.88 -1.26 -4.78 113.62 115.26 1ufx n SER 98 Ca 0.44 0.03 0.00 0.00 -1.33 0.00 0.00 58.87 58.01 1ufx n SER 98 Cb 0.47 -0.78 0.00 0.00 -0.75 0.00 0.00 64.21 63.15 1ufx n SER 98 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ufx n GLY 99 N 2.78 -1.07 0.18 0.46 0.00 -1.26 -4.94 105.19 101.35 1ufx n GLY 99 Ca -0.00 0.36 0.04 0.00 0.00 0.00 0.00 46.02 46.42 1ufx n GLY 99 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ufx h PRO 100 N 0.00 0.00 -6.87 1.61 0.13 -2.04 -3.44 132.00 121.39 1ufx h PRO 100 Ca 0.00 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.62 1ufx h PRO 100 Cb 0.00 0.00 0.04 0.00 0.13 0.00 0.00 31.00 31.17 1ufx h PRO 100 CO 0.00 0.40 0.53 -1.54 -0.23 0.00 0.00 178.00 177.16 1ufx s SER 101 N -6.66 6.93 0.00 1.44 1.04 -1.26 -5.04 113.70 110.14 1ufx s SER 101 Ca -0.02 2.42 0.01 0.00 0.48 0.00 0.00 55.95 58.85 1ufx s SER 101 Cb 0.13 -2.63 -0.01 0.00 0.10 0.00 0.00 66.02 63.61 1ufx s SER 101 CO 0.70 -0.40 -0.05 -0.44 0.98 0.00 0.00 173.24 174.04 1ufx s SER 102 N -0.82 0.52 0.00 7.02 0.01 -1.26 -5.09 113.70 114.08 1ufx s SER 102 Ca 0.49 -0.16 0.00 0.00 1.31 0.00 0.00 55.95 57.59 1ufx s SER 102 Cb -0.34 -0.03 0.00 0.00 0.21 0.00 0.00 66.02 65.86 1ufx s SER 102 CO 0.44 0.00 0.00 0.61 0.41 0.00 0.00 173.24 174.70