#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ufx h SER 2 N 0.00 0.00 -3.71 1.61 0.87 -2.05 -3.47 113.55 106.80 1ufx h SER 2 Ca 0.00 -0.20 -0.55 0.00 -1.23 0.00 0.00 61.79 59.81 1ufx h SER 2 Cb 0.00 0.00 0.12 0.00 -0.44 0.00 0.00 62.40 62.08 1ufx h SER 2 CO 0.00 0.74 0.62 -1.20 -0.53 0.00 0.00 176.83 176.46 1ufx n SER 3 N -4.68 3.09 0.00 6.23 7.64 -1.26 -4.92 113.62 119.72 1ufx n SER 3 Ca -0.07 1.15 0.00 0.00 1.01 0.00 0.00 58.87 60.97 1ufx n SER 3 Cb 0.21 -1.55 0.00 0.00 -1.01 0.00 0.00 64.21 61.86 1ufx n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ufx n GLY 4 N 0.66 4.18 3.51 0.23 0.00 -1.26 -4.98 105.19 107.53 1ufx n GLY 4 Ca 0.05 -0.65 -0.43 0.00 0.00 0.00 0.00 46.02 44.98 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 0.00 6.85 -1.33 1.61 0.01 -1.26 -4.35 113.70 115.22 1ufx s SER 5 Ca 0.00 -2.47 -0.03 0.00 1.31 0.00 0.00 55.95 54.76 1ufx s SER 5 Cb 0.00 -2.48 0.02 0.00 0.21 0.00 0.00 66.02 63.76 1ufx s SER 5 CO 0.00 -1.04 0.81 -1.20 0.41 0.00 0.00 173.24 172.23 1ufx n SER 6 N 7.13 -2.16 -3.79 2.44 7.64 -1.26 -4.99 113.62 118.63 1ufx n SER 6 Ca 0.38 -0.77 -0.13 0.00 1.01 0.00 0.00 58.87 59.37 1ufx n SER 6 Cb 0.46 -4.21 -0.11 0.00 -1.01 0.00 0.00 64.21 59.33 1ufx n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1ufx s GLY 7 N -4.13 -0.16 -0.40 0.23 0.00 -1.26 -4.42 107.32 97.18 1ufx s GLY 7 Ca 0.15 0.60 -0.08 0.00 0.00 0.00 0.00 44.72 45.39 1ufx s GLY 7 CO 0.80 0.50 0.22 -1.59 0.00 0.00 0.00 173.10 173.03 1ufx s THR 8 N -0.08 4.04 0.10 0.90 2.01 0.90 -4.81 115.64 118.70 1ufx s THR 8 Ca -0.02 -1.40 -0.31 0.00 0.31 0.00 0.00 61.69 60.27 1ufx s THR 8 Cb -0.02 -3.46 -0.10 0.00 0.01 0.00 0.00 72.50 68.93 1ufx s THR 8 CO 0.01 -0.45 1.87 -0.22 -0.69 0.00 0.00 174.62 175.14 1ufx s LEU 9 N 1.39 4.41 -0.27 4.42 1.98 -1.26 -3.34 118.68 126.01 1ufx s LEU 9 Ca 0.02 2.74 0.01 0.00 -2.89 0.00 0.00 54.13 54.01 1ufx s LEU 9 Cb -0.22 -3.56 0.05 0.00 0.66 0.00 0.00 46.19 43.12 1ufx s LEU 9 CO 0.02 -1.02 -0.07 -0.69 -1.89 0.00 0.00 176.35 172.69 1ufx s VAL 10 N 3.26 2.50 -0.40 1.68 1.01 0.42 -4.95 120.40 123.91 1ufx s VAL 10 Ca 0.83 -1.46 -0.26 0.00 0.00 0.00 0.00 61.98 61.09 1ufx s VAL 10 Cb -0.45 -2.42 0.02 0.00 0.00 0.00 0.00 36.38 33.53 1ufx s VAL 10 CO 0.38 -0.01 0.92 -0.60 0.00 0.00 0.00 175.10 175.80 1ufx s ARG 11 N 1.18 3.73 -0.35 2.72 3.52 -1.26 -0.64 118.95 127.84 1ufx s ARG 11 Ca -0.06 0.42 -0.09 0.00 -0.13 0.00 0.00 55.73 55.87 1ufx s ARG 11 Cb -0.19 -3.85 0.03 0.00 -1.56 0.00 0.00 34.95 29.38 1ufx s ARG 11 CO -0.04 -1.04 0.16 0.08 -0.81 0.00 0.00 175.30 173.64 1ufx s VAL 12 N 3.57 4.24 0.66 7.11 1.01 -0.75 -4.95 120.40 131.30 1ufx s VAL 12 Ca 0.38 -0.93 -0.14 0.00 0.00 0.00 0.00 61.98 61.28 1ufx s VAL 12 Cb -0.11 -3.36 -0.00 0.00 0.00 0.00 0.00 36.38 32.91 1ufx s VAL 12 CO 0.21 -0.18 1.09 -0.75 0.00 0.00 0.00 175.10 175.47 1ufx s LYS 13 N 1.50 2.88 0.00 2.72 2.36 -1.26 -0.04 119.74 127.89 1ufx s LYS 13 Ca 0.01 1.25 -0.04 0.00 -2.55 0.00 0.00 55.97 54.64 1ufx s LYS 13 Cb -0.19 -1.97 -0.19 0.00 -1.05 0.00 0.00 37.83 34.43 1ufx s LYS 13 CO 0.05 -1.17 2.83 1.63 1.55 0.00 0.00 175.35 180.24 1ufx n LYS 14 N -2.56 1.50 0.32 4.03 4.76 -0.48 -4.49 118.16 121.24 1ufx n LYS 14 Ca 0.09 -0.71 -0.16 0.00 -2.87 0.00 0.00 58.31 54.66 1ufx n LYS 14 Cb 0.53 -1.82 -0.08 0.00 -1.84 0.00 0.00 35.03 31.81 1ufx n LYS 14 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1ufx h SER 15 N 3.46 -0.68 -4.28 4.39 0.87 -1.88 -3.44 113.55 112.00 1ufx h SER 15 Ca 0.14 -0.01 -0.52 0.00 -1.23 0.00 0.00 61.79 60.17 1ufx h SER 15 Cb 1.16 0.18 0.15 0.00 -0.44 0.00 0.00 62.40 63.44 1ufx h SER 15 CO 0.26 -0.41 0.31 0.00 -0.53 0.00 0.00 176.83 176.45 1ufx s ALA 16 N -5.67 2.07 0.10 6.23 0.00 -1.26 -4.96 121.76 118.27 1ufx s ALA 16 Ca -0.16 0.44 0.05 0.00 0.00 0.00 0.00 51.96 52.29 1ufx s ALA 16 Cb 0.03 -3.34 -0.23 0.00 0.00 0.00 0.00 23.12 19.58 1ufx s ALA 16 CO 0.58 -1.97 1.21 0.00 0.00 0.00 0.00 175.76 175.58 1ufx h ALA 17 N -1.10 0.33 -2.79 0.00 0.00 -1.85 -3.44 119.26 110.40 1ufx h ALA 17 Ca -0.44 -0.94 -0.41 0.00 0.00 0.00 0.00 54.91 53.11 1ufx h ALA 17 Cb 1.25 -0.09 -0.39 0.00 0.00 0.00 0.00 17.79 18.57 1ufx h ALA 17 CO 0.49 1.22 -0.71 0.95 0.00 0.00 0.00 179.25 181.20 1ufx s THR 18 N -2.69 -0.18 0.12 0.00 -4.23 -1.26 -5.11 115.64 102.28 1ufx s THR 18 Ca -0.00 -0.24 -0.23 0.00 -1.18 0.00 0.00 61.69 60.03 1ufx s THR 18 Cb 0.09 -0.68 -0.13 0.00 1.34 0.00 0.00 72.50 73.12 1ufx s THR 18 CO 0.83 -0.32 0.49 -0.11 -0.54 0.00 0.00 174.62 174.97 1ufx n LEU 19 N 5.29 -0.72 -3.52 4.79 7.94 -1.26 -4.20 117.00 125.31 1ufx n LEU 19 Ca -0.06 0.86 -0.27 0.00 -1.11 0.00 0.00 56.01 55.43 1ufx n LEU 19 Cb 0.48 -0.71 -0.10 0.00 0.53 0.00 0.00 43.42 43.61 1ufx n LEU 19 CO 0.08 -2.07 -0.24 0.61 -1.11 0.00 0.00 177.39 174.66 1ufx n GLY 20 N 1.42 2.66 2.89 -3.96 0.00 -1.25 -4.76 105.19 102.19 1ufx n GLY 20 Ca 0.14 -1.66 -0.13 0.00 0.00 0.00 0.00 46.02 44.37 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 -0.39 0.10 0.01 -0.61 -4.36 -1.26 -1.03 121.20 113.66 1ufx s ILE 21 Ca 0.31 -0.04 0.07 0.00 -0.26 0.00 0.00 60.65 60.73 1ufx s ILE 21 Cb 0.02 -0.10 -0.03 0.00 1.25 0.00 0.00 42.46 43.61 1ufx s ILE 21 CO -0.19 0.03 -0.20 0.00 0.24 0.00 0.00 174.94 174.82 1ufx s ALA 22 N 0.04 2.47 0.32 2.27 0.00 0.15 -4.92 121.76 122.09 1ufx s ALA 22 Ca -0.00 -1.14 0.06 0.00 0.00 0.00 0.00 51.96 50.87 1ufx s ALA 22 Cb -0.01 -0.71 -0.03 0.00 0.00 0.00 0.00 23.12 22.37 1ufx s ALA 22 CO -0.00 0.55 0.25 0.96 0.00 0.00 0.00 175.76 177.52 1ufx s ILE 23 N -0.80 0.05 0.30 0.00 -4.36 -1.26 -1.43 121.20 113.70 1ufx s ILE 23 Ca 0.13 -2.00 -0.18 0.00 -0.26 0.00 0.00 60.65 58.34 1ufx s ILE 23 Cb -0.10 -2.49 0.02 0.00 1.25 0.00 0.00 42.46 41.14 1ufx s ILE 23 CO 0.02 0.00 0.68 -1.83 0.24 0.00 0.00 174.94 174.05 1ufx s GLU 24 N -3.56 1.84 0.00 0.37 -1.05 -0.63 -4.78 118.70 110.90 1ufx s GLU 24 Ca 0.39 -1.16 0.00 0.00 -0.15 0.00 0.00 54.97 54.06 1ufx s GLU 24 Cb 0.03 0.58 0.00 0.00 -0.44 0.00 0.00 34.13 34.30 1ufx s GLU 24 CO 0.25 -0.83 0.00 0.41 0.95 0.00 0.00 175.26 176.04 1ufx n GLY 25 N -0.46 0.83 0.00 -3.83 0.00 -1.26 -1.83 105.19 98.64 1ufx n GLY 25 Ca -0.04 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.29 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 3.96 0.39 -0.02 0.00 -0.72 -3.43 105.19 105.37 1ufx n GLY 26 Ca 0.00 -1.53 -0.05 0.00 0.00 0.00 0.00 46.02 44.44 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 -0.11 -0.93 4.61 0.00 -1.34 0.57 119.26 122.06 1ufx h ALA 27 Ca 0.00 0.20 0.22 0.00 0.00 0.00 0.00 54.91 55.34 1ufx h ALA 27 Cb 0.00 1.08 -0.12 0.00 0.00 0.00 0.00 17.79 18.75 1ufx h ALA 27 CO 0.00 -0.75 0.46 -0.97 0.00 0.00 0.00 179.25 177.99 1ufx h ASN 28 N -0.05 0.45 -4.07 0.00 -0.73 -1.89 -3.41 115.58 105.88 1ufx h ASN 28 Ca 0.27 0.15 -0.46 0.00 1.87 0.00 0.00 56.30 58.12 1ufx h ASN 28 Cb 0.54 0.10 -0.00 0.00 0.27 0.00 0.00 38.32 39.23 1ufx h ASN 28 CO -0.91 0.04 0.32 0.42 -0.37 0.00 0.00 177.43 176.94 1ufx s THR 29 N -5.86 4.51 0.32 -3.57 -4.23 0.20 -4.91 115.64 102.10 1ufx s THR 29 Ca -0.11 1.26 0.19 0.00 -1.18 0.00 0.00 61.69 61.84 1ufx s THR 29 Cb 0.26 -3.67 0.31 0.00 1.34 0.00 0.00 72.50 70.74 1ufx s THR 29 CO 0.78 -0.50 1.32 -1.14 -0.54 0.00 0.00 174.62 174.54 1ufx n ARG 30 N -1.11 -0.05 -2.69 3.99 0.63 -1.26 -3.92 116.66 112.25 1ufx n ARG 30 Ca 0.06 1.14 -0.43 0.00 -0.92 0.00 0.00 57.85 57.70 1ufx n ARG 30 Cb 0.54 -2.07 -0.03 0.00 0.45 0.00 0.00 32.46 31.36 1ufx n ARG 30 CO 0.00 0.00 0.00 -1.14 -2.51 0.00 0.00 177.63 173.98 1ufx s GLN 31 N -5.24 4.04 -0.02 -0.14 2.00 -1.26 -4.94 119.66 114.10 1ufx s GLN 31 Ca -0.07 0.98 -0.25 0.00 -2.00 0.00 0.00 55.36 54.01 1ufx s GLN 31 Cb 0.28 -3.74 -0.20 0.00 0.80 0.00 0.00 33.01 30.16 1ufx s GLN 31 CO 0.65 -0.87 1.22 -1.00 -0.50 0.00 0.00 175.29 174.80 1ufx h PRO 32 N 8.10 -0.06 -6.21 1.67 0.13 -1.74 -1.90 132.00 132.00 1ufx h PRO 32 Ca -0.21 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.39 1ufx h PRO 32 Cb 1.07 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.19 1ufx h PRO 32 CO 1.01 0.41 -0.35 -0.51 -0.23 0.00 0.00 178.00 178.32 1ufx s LEU 33 N -9.23 4.24 0.35 1.56 2.01 -1.26 -3.03 118.68 113.31 1ufx s LEU 33 Ca -0.15 0.35 -0.28 0.00 0.01 0.00 0.00 54.13 54.06 1ufx s LEU 33 Cb 0.02 -3.12 -0.09 0.00 0.01 0.00 0.00 46.19 43.00 1ufx s LEU 33 CO 0.64 -0.04 1.21 -2.16 1.01 0.00 0.00 176.35 177.01 1ufx s PRO 34 N -3.39 4.30 -0.11 1.29 0.04 -1.25 -4.46 135.00 131.43 1ufx s PRO 34 Ca 0.38 1.99 0.03 0.00 0.04 0.00 0.00 61.00 63.44 1ufx s PRO 34 Cb -0.11 -2.95 -0.00 0.00 0.04 0.00 0.00 34.50 31.47 1ufx s PRO 34 CO 0.29 -0.15 -0.21 0.50 0.04 0.00 0.00 177.00 177.47 1ufx s ARG 35 N -1.90 3.11 -0.15 4.56 3.52 -0.76 -1.15 118.95 126.18 1ufx s ARG 35 Ca 0.51 -0.83 -0.29 0.00 -0.13 0.00 0.00 55.73 54.99 1ufx s ARG 35 Cb -0.35 -2.38 -0.05 0.00 -1.56 0.00 0.00 34.95 30.62 1ufx s ARG 35 CO 0.45 0.20 1.79 0.42 -0.81 0.00 0.00 175.30 177.35 1ufx s ILE 36 N 0.32 3.43 -0.21 4.11 1.01 0.17 -1.60 121.20 128.43 1ufx s ILE 36 Ca -0.16 0.49 0.11 0.00 0.00 0.00 0.00 60.65 61.09 1ufx s ILE 36 Cb -0.17 -3.42 -0.22 0.00 0.01 0.00 0.00 42.46 38.66 1ufx s ILE 36 CO 0.08 -0.16 -0.01 1.33 0.00 0.00 0.00 174.94 176.18 1ufx n VAL 37 N 6.37 1.45 -3.78 2.92 0.24 -0.51 0.20 118.33 125.22 1ufx n VAL 37 Ca 0.21 -0.74 -0.13 0.00 -2.04 0.00 0.00 64.34 61.64 1ufx n VAL 37 Cb 0.44 -0.89 -0.11 0.00 -1.47 0.00 0.00 33.84 31.81 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 0.02 -0.36 3.34 2.01 -1.20 -4.76 115.64 112.18 1ufx s THR 38 Ca -0.20 -0.15 0.02 0.00 0.31 0.00 0.00 61.69 61.67 1ufx s THR 38 Cb 0.07 -0.46 0.10 0.00 0.01 0.00 0.00 72.50 72.23 1ufx s THR 38 CO 0.74 -0.08 0.10 -0.63 -0.69 0.00 0.00 174.62 174.06 1ufx s ILE 39 N -0.25 2.63 0.38 1.82 1.01 -1.26 0.32 121.20 125.84 1ufx s ILE 39 Ca -0.04 -2.23 -0.26 0.00 0.00 0.00 0.00 60.65 58.13 1ufx s ILE 39 Cb -0.03 -2.88 -0.11 0.00 0.01 0.00 0.00 42.46 39.45 1ufx s ILE 39 CO 0.01 -0.62 1.13 0.00 0.00 0.00 0.00 174.94 175.46 1ufx n GLN 40 N 4.38 1.65 -0.32 2.79 6.02 -0.19 -4.84 117.38 126.86 1ufx n GLN 40 Ca 0.01 0.59 -0.05 0.00 -0.01 0.00 0.00 57.00 57.54 1ufx n GLN 40 Cb 0.42 -2.14 0.08 0.00 1.02 0.00 0.00 30.24 29.62 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 1.97 1.24 -1.84 -1.09 3.08 -1.99 -2.87 114.38 112.89 1ufx h ARG 41 Ca -0.45 -0.17 -0.33 0.00 0.07 0.00 0.00 59.98 59.10 1ufx h ARG 41 Cb 1.32 -0.23 -0.13 0.00 0.08 0.00 0.00 29.97 31.01 1ufx h ARG 41 CO 0.59 0.94 0.21 0.41 -1.07 0.00 0.00 179.97 181.06 1ufx n GLY 42 N -1.04 3.82 3.22 0.04 0.00 -1.26 -4.46 105.19 105.51 1ufx n GLY 42 Ca 0.09 -1.30 -0.25 0.00 0.00 0.00 0.00 46.02 44.56 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 0.78 1.04 0.41 -0.02 0.00 -1.08 -3.80 107.32 104.65 1ufx s GLY 43 Ca 0.45 -0.98 0.18 0.00 0.00 0.00 0.00 44.72 44.37 1ufx s GLY 43 CO -0.09 -0.90 1.50 1.48 0.00 0.00 0.00 173.10 175.09 1ufx h SER 44 N 5.02 0.00 0.00 1.64 4.64 -1.85 -2.68 113.55 120.31 1ufx h SER 44 Ca -0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1ufx h SER 44 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1ufx h SER 44 CO 0.45 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.41 1ufx n ALA 45 N -1.67 -0.06 -0.30 5.18 0.00 -1.26 -3.50 120.51 118.89 1ufx n ALA 45 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.42 1ufx n ALA 45 Cb 0.30 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.80 1ufx n ALA 45 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1ufx h HIS 46 N 0.00 -0.85 -0.90 0.00 6.17 -1.68 0.36 115.15 118.24 1ufx h HIS 46 Ca 0.00 0.09 0.24 0.00 0.71 0.00 0.00 60.37 61.41 1ufx h HIS 46 Cb 0.00 0.50 -0.16 0.00 2.52 0.00 0.00 27.41 30.27 1ufx h HIS 46 CO 0.03 -0.39 0.12 -0.91 0.71 0.00 0.00 177.93 177.49 1ufx h ASN 47 N -0.05 -0.25 -0.11 3.26 4.21 -1.66 0.10 115.58 121.08 1ufx h ASN 47 Ca 0.33 0.23 -0.05 0.00 1.21 0.00 0.00 56.30 58.02 1ufx h ASN 47 Cb 0.59 0.37 -0.00 0.00 -1.12 0.00 0.00 38.32 38.16 1ufx h ASN 47 CO -0.86 -0.25 -0.15 0.00 -1.29 0.00 0.00 177.43 174.88 1ufx n GLY 49 N 0.32 2.54 0.39 0.00 0.00 0.35 -4.79 105.19 104.00 1ufx n GLY 49 Ca -0.07 -0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.08 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 0.00 0.00 -6.28 1.61 5.75 -1.86 -3.39 115.11 110.94 1ufx h GLN 50 Ca 0.00 0.00 -0.46 0.00 -0.15 0.00 0.00 58.65 58.04 1ufx h GLN 50 Cb 0.00 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.54 1ufx h GLN 50 CO 0.00 0.00 -0.35 -0.51 -2.65 0.00 0.00 178.83 175.32 1ufx s LEU 51 N -5.83 3.60 0.14 -2.39 1.43 -1.26 -5.10 118.68 109.27 1ufx s LEU 51 Ca -0.02 -0.52 -0.05 0.00 -1.03 0.00 0.00 54.13 52.51 1ufx s LEU 51 Cb 0.07 -2.37 -0.02 0.00 0.03 0.00 0.00 46.19 43.90 1ufx s LEU 51 CO 0.24 -0.59 0.16 -0.54 0.23 0.00 0.00 176.35 175.85 1ufx s LYS 52 N -4.17 1.02 -0.16 1.70 1.02 -1.26 -4.97 119.74 112.92 1ufx s LYS 52 Ca 0.48 -1.31 -0.29 0.00 0.02 0.00 0.00 55.97 54.87 1ufx s LYS 52 Cb -0.07 0.30 -0.01 0.00 -0.52 0.00 0.00 37.83 37.54 1ufx s LYS 52 CO 0.30 -0.33 1.12 0.08 -0.92 0.00 0.00 175.35 175.60 1ufx s VAL 53 N -4.01 4.52 0.00 3.17 1.01 -1.26 -3.49 120.40 120.34 1ufx s VAL 53 Ca 0.20 1.83 0.00 0.00 0.00 0.00 0.00 61.98 64.01 1ufx s VAL 53 Cb 0.06 -4.18 0.00 0.00 0.00 0.00 0.00 36.38 32.26 1ufx s VAL 53 CO 0.01 -0.11 0.00 0.61 0.00 0.00 0.00 175.10 175.61 1ufx n GLY 54 N 3.37 0.98 3.70 4.51 0.00 0.13 -4.90 105.19 112.98 1ufx n GLY 54 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.75 1.43 -0.22 1.61 3.76 -1.23 -4.64 115.29 114.26 1ufx s HIS 55 Ca 0.00 0.65 -0.02 0.00 -0.15 0.00 0.00 55.06 55.54 1ufx s HIS 55 Cb 0.00 -3.49 0.07 0.00 1.11 0.00 0.00 32.58 30.27 1ufx s HIS 55 CO 0.00 -3.18 0.05 0.08 -0.85 0.00 0.00 174.74 170.83 1ufx s VAL 56 N -3.18 0.58 -0.34 -0.90 1.01 -1.26 0.44 120.40 116.74 1ufx s VAL 56 Ca 0.69 -0.71 -0.29 0.00 0.00 0.00 0.00 61.98 61.67 1ufx s VAL 56 Cb -0.12 -1.14 0.00 0.00 0.00 0.00 0.00 36.38 35.12 1ufx s VAL 56 CO 0.55 -0.30 1.39 -0.63 0.00 0.00 0.00 175.10 176.12 1ufx s ILE 57 N 1.82 3.97 -0.19 2.22 1.01 -0.30 -3.62 121.20 126.12 1ufx s ILE 57 Ca 0.01 1.05 0.07 0.00 0.00 0.00 0.00 60.65 61.78 1ufx s ILE 57 Cb -0.17 -4.12 -0.22 0.00 0.01 0.00 0.00 42.46 37.96 1ufx s ILE 57 CO -0.12 -0.58 0.07 0.18 0.00 0.00 0.00 174.94 174.49 1ufx n LEU 58 N 8.31 1.66 -3.98 2.97 4.77 0.24 -3.77 117.00 127.20 1ufx n LEU 58 Ca 0.16 0.03 -0.15 0.00 -0.03 0.00 0.00 56.01 56.02 1ufx n LEU 58 Cb 0.47 -0.33 -0.13 0.00 -2.33 0.00 0.00 43.42 41.10 1ufx n LEU 58 CO 0.67 0.71 -0.40 -0.70 -1.33 0.00 0.00 177.39 176.34 1ufx s GLU 59 N -2.53 0.43 -0.05 3.23 2.12 -1.25 -0.13 118.70 120.52 1ufx s GLU 59 Ca -0.21 -0.35 -0.02 0.00 0.36 0.00 0.00 54.97 54.75 1ufx s GLU 59 Cb 0.07 -0.34 0.03 0.00 0.26 0.00 0.00 34.13 34.15 1ufx s GLU 59 CO 0.73 0.08 0.06 0.08 -0.54 0.00 0.00 175.26 175.67 1ufx s VAL 60 N -0.51 -0.07 -1.70 3.70 1.01 0.68 -2.03 120.40 121.47 1ufx s VAL 60 Ca -0.02 0.39 -0.02 0.00 0.00 0.00 0.00 61.98 62.33 1ufx s VAL 60 Cb -0.04 -0.19 0.00 0.00 0.00 0.00 0.00 36.38 36.15 1ufx s VAL 60 CO -0.00 0.17 0.20 -3.20 0.00 0.00 0.00 175.10 172.27 1ufx n ASN 61 N 5.29 -5.95 0.00 3.32 2.85 -1.08 -1.25 115.26 118.43 1ufx n ASN 61 Ca -0.03 -0.10 0.00 0.00 -0.11 0.00 0.00 54.58 54.33 1ufx n ASN 61 Cb 0.50 -4.91 0.00 0.00 1.24 0.00 0.00 39.78 36.61 1ufx n ASN 61 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1ufx n GLY 62 N -1.18 3.01 3.76 8.20 0.00 -1.26 -5.00 105.19 112.72 1ufx n GLY 62 Ca -0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.42 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 4.51 0.01 0.99 1.02 -0.38 -5.03 118.68 119.80 1ufx s LEU 63 Ca 0.00 2.19 -0.18 0.00 0.02 0.00 0.00 54.13 56.16 1ufx s LEU 63 Cb 0.00 -3.70 -0.06 0.00 0.02 0.00 0.00 46.19 42.45 1ufx s LEU 63 CO 0.00 -0.14 0.51 0.42 0.02 0.00 0.00 176.35 177.16 1ufx s THR 64 N -1.23 4.93 -2.21 5.49 -4.23 -1.26 -0.23 115.64 116.89 1ufx s THR 64 Ca 0.46 1.07 0.25 0.00 -1.18 0.00 0.00 61.69 62.28 1ufx s THR 64 Cb -0.30 -3.84 0.20 0.00 1.34 0.00 0.00 72.50 69.91 1ufx s THR 64 CO 0.38 0.50 1.37 0.18 -0.54 0.00 0.00 174.62 176.51 1ufx n LEU 65 N 2.23 1.82 -4.68 4.79 4.77 0.81 -4.92 117.00 121.83 1ufx n LEU 65 Ca -0.10 -0.61 -0.46 0.00 -0.03 0.00 0.00 56.01 54.81 1ufx n LEU 65 Cb 0.51 -0.04 -0.04 0.00 -2.33 0.00 0.00 43.42 41.53 1ufx n LEU 65 CO 0.41 0.32 1.36 0.54 -1.33 0.00 0.00 177.39 178.70 1ufx n ARG 66 N 0.08 2.33 -1.01 3.23 1.74 -1.26 -0.76 116.66 121.01 1ufx n ARG 66 Ca 0.13 0.85 -0.00 0.00 -0.77 0.00 0.00 57.85 58.05 1ufx n ARG 66 Cb 0.44 -2.67 -0.00 0.00 -1.02 0.00 0.00 32.46 29.20 1ufx n ARG 66 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ufx n GLY 67 N 3.95 0.45 3.60 -0.13 0.00 -1.26 -5.04 105.19 106.76 1ufx n GLY 67 Ca 0.19 -0.57 -0.32 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.12 2.51 0.23 1.61 -0.14 0.06 -4.76 119.74 118.13 1ufx s LYS 68 Ca 0.00 -0.76 -0.20 0.00 -1.36 0.00 0.00 55.97 53.66 1ufx s LYS 68 Cb 0.00 -2.48 -0.08 0.00 -1.68 0.00 0.00 37.83 33.58 1ufx s LYS 68 CO 0.00 0.59 0.73 -1.21 -0.76 0.00 0.00 175.35 174.70 1ufx s GLU 69 N -1.53 4.24 0.21 1.68 2.02 -1.26 -2.15 118.70 121.91 1ufx s GLU 69 Ca 0.18 0.87 -0.05 0.00 0.02 0.00 0.00 54.97 55.99 1ufx s GLU 69 Cb -0.11 -2.84 0.36 0.00 0.10 0.00 0.00 34.13 31.64 1ufx s GLU 69 CO 0.09 0.37 1.14 1.58 0.02 0.00 0.00 175.26 178.45 1ufx n HIS 70 N 0.63 0.29 -0.11 1.61 -0.00 -1.22 0.19 115.22 116.61 1ufx n HIS 70 Ca -0.02 0.89 -0.08 0.00 -0.00 0.00 0.00 57.72 58.51 1ufx n HIS 70 Cb 0.51 -0.94 -0.00 0.00 -0.00 0.00 0.00 29.99 29.56 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 0.44 -0.61 1.57 1.12 -1.92 -0.40 114.38 114.58 1ufx h ARG 71 Ca 0.36 -0.03 0.04 0.00 -1.11 0.00 0.00 59.98 59.24 1ufx h ARG 71 Cb 0.58 -0.10 -0.04 0.00 -0.01 0.00 0.00 29.97 30.40 1ufx h ARG 71 CO -0.74 0.29 0.36 1.49 -3.11 0.00 0.00 179.97 178.27 1ufx h GLU 72 N 0.46 0.69 -0.07 0.20 4.81 0.17 -2.75 114.58 118.09 1ufx h GLU 72 Ca 0.14 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.32 1ufx h GLU 72 Cb -0.02 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.20 1ufx h GLU 72 CO -0.05 0.45 0.02 0.00 -0.73 0.00 0.00 179.01 178.71 1ufx h ALA 73 N 1.28 0.09 -1.15 2.92 0.00 -0.69 -2.52 119.26 119.18 1ufx h ALA 73 Ca 0.26 -0.11 0.34 0.00 0.00 0.00 0.00 54.91 55.39 1ufx h ALA 73 Cb 0.07 -0.03 -0.11 0.00 0.00 0.00 0.00 17.79 17.72 1ufx h ALA 73 CO -0.12 -0.31 0.74 0.00 0.00 0.00 0.00 179.25 179.56 1ufx h ALA 74 N 0.83 2.45 -0.03 0.00 0.00 -0.79 0.19 119.26 121.92 1ufx h ALA 74 Ca 0.02 0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 1ufx h ALA 74 Cb 0.20 0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.10 1ufx h ALA 74 CO -0.00 -0.95 -0.43 -0.09 0.00 0.00 0.00 179.25 177.78 1ufx h ARG 75 N 0.26 0.34 -0.21 0.00 2.43 -1.27 -2.85 114.38 113.08 1ufx h ARG 75 Ca 0.69 -0.33 0.05 0.00 -0.81 0.00 0.00 59.98 59.58 1ufx h ARG 75 Cb 1.95 0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 31.54 1ufx h ARG 75 CO -0.34 1.00 -0.12 0.82 -1.51 0.00 0.00 179.97 179.81 1ufx h ILE 76 N -0.20 0.63 0.31 1.20 2.04 -0.26 -0.31 117.51 120.93 1ufx h ILE 76 Ca -0.05 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.81 1ufx h ILE 76 Cb 1.13 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 37.83 1ufx h ILE 76 CO 0.09 0.00 -0.22 0.40 0.00 0.00 0.00 178.15 178.41 1ufx h ILE 77 N -0.11 0.52 -0.76 -0.67 2.04 -1.31 -2.65 117.51 114.59 1ufx h ILE 77 Ca 0.12 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.13 1ufx h ILE 77 Cb 0.29 0.52 -0.10 0.00 -0.74 0.00 0.00 36.82 36.79 1ufx h ILE 77 CO -0.28 0.00 0.28 0.00 0.00 0.00 0.00 178.15 178.16 1ufx h ALA 78 N 0.11 1.06 -0.53 1.87 0.00 -1.24 0.20 119.26 120.73 1ufx h ALA 78 Ca -0.02 0.13 0.09 0.00 0.00 0.00 0.00 54.91 55.10 1ufx h ALA 78 Cb 0.46 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 1ufx h ALA 78 CO 0.00 -0.24 0.36 0.93 0.00 0.00 0.00 179.25 180.30 1ufx h GLU 79 N 0.41 0.32 0.00 0.00 5.08 -0.72 0.11 114.58 119.78 1ufx h GLU 79 Ca 0.42 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.69 1ufx h GLU 79 Cb 0.66 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 1ufx h GLU 79 CO -0.42 0.21 -0.34 0.00 -1.00 0.00 0.00 179.01 177.45 1ufx h ALA 80 N 1.73 1.05 0.06 3.43 0.00 -0.28 -2.40 119.26 122.84 1ufx h ALA 80 Ca 0.24 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 1ufx h ALA 80 Cb 0.52 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.27 1ufx h ALA 80 CO -0.06 0.43 -0.36 0.35 0.00 0.00 0.00 179.25 179.62 1ufx h PHE 81 N 0.00 0.25 0.80 0.00 3.57 -0.50 -3.38 116.94 117.68 1ufx h PHE 81 Ca -0.00 -0.18 -0.04 0.00 3.53 0.00 0.00 57.97 61.28 1ufx h PHE 81 Cb 0.82 -0.01 0.01 0.00 2.79 0.00 0.00 35.95 39.56 1ufx h PHE 81 CO 0.00 1.11 -0.38 0.87 -2.23 0.00 0.00 178.31 177.68 1ufx h LYS 82 N -0.68 -1.03 -4.17 1.11 1.57 -1.33 -3.45 116.57 108.60 1ufx h LYS 82 Ca -0.06 0.07 -0.42 0.00 -1.87 0.00 0.00 60.65 58.37 1ufx h LYS 82 Cb 1.25 0.24 0.12 0.00 0.08 0.00 0.00 32.23 33.92 1ufx h LYS 82 CO 0.07 -0.69 -0.73 -2.37 -0.57 0.00 0.00 179.45 175.16 1ufx n THR 83 N -4.96 0.23 -1.23 -0.16 5.66 -0.91 -4.85 114.28 108.06 1ufx n THR 83 Ca -0.13 -0.35 -0.06 0.00 -3.05 0.00 0.00 64.05 60.46 1ufx n THR 83 Cb 0.42 0.00 0.23 0.00 -1.55 0.00 0.00 70.33 69.43 1ufx n THR 83 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 1ufx n LYS 84 N 0.98 2.56 -0.04 1.09 0.00 -1.26 -4.60 118.16 116.90 1ufx n LYS 84 Ca 0.07 -3.07 -0.10 0.00 0.00 0.00 0.00 58.31 55.21 1ufx n LYS 84 Cb 0.30 -1.99 -0.08 0.00 0.00 0.00 0.00 35.03 33.26 1ufx n LYS 84 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 1ufx h ASP 85 N 1.53 -0.04 -3.08 3.14 5.19 -1.92 -3.47 116.42 117.77 1ufx h ASP 85 Ca 0.27 -0.58 -0.53 0.00 -0.62 0.00 0.00 57.03 55.57 1ufx h ASP 85 Cb 2.02 0.01 -0.16 0.00 0.18 0.00 0.00 39.33 41.38 1ufx h ASP 85 CO 0.58 0.72 -0.77 0.00 -3.12 0.00 0.00 179.24 176.66 1ufx s ARG 86 N -2.36 1.41 -0.45 3.56 1.70 -1.26 -5.04 118.95 116.51 1ufx s ARG 86 Ca -0.13 -1.56 0.03 0.00 -0.47 0.00 0.00 55.73 53.61 1ufx s ARG 86 Cb -0.01 -1.42 0.63 0.00 -0.57 0.00 0.00 34.95 33.58 1ufx s ARG 86 CO 0.46 0.27 1.90 -0.40 -1.08 0.00 0.00 175.30 176.46 1ufx n ASP 87 N -0.14 4.04 -3.61 -2.89 5.68 -1.26 -4.94 116.55 113.43 1ufx n ASP 87 Ca -0.10 -3.58 -0.04 0.00 -0.50 0.00 0.00 54.79 50.58 1ufx n ASP 87 Cb 0.59 -0.84 -0.00 0.00 -1.14 0.00 0.00 41.12 39.72 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 -3.24 -0.07 -0.05 2.11 -0.85 -1.26 -1.38 117.35 112.60 1ufx s TYR 88 Ca 0.56 -0.30 -0.01 0.00 -0.52 0.00 0.00 57.07 56.80 1ufx s TYR 88 Cb 0.47 0.67 0.03 0.00 0.38 0.00 0.00 41.96 43.51 1ufx s TYR 88 CO 0.10 -0.93 0.01 0.42 -1.52 0.00 0.00 175.55 173.63 1ufx s ILE 89 N -3.00 0.21 0.09 -3.49 1.01 0.95 -4.92 121.20 112.05 1ufx s ILE 89 Ca 0.15 0.19 -0.30 0.00 0.00 0.00 0.00 60.65 60.68 1ufx s ILE 89 Cb -0.02 -0.37 -0.06 0.00 0.01 0.00 0.00 42.46 42.02 1ufx s ILE 89 CO 0.04 0.21 1.16 1.51 0.00 0.00 0.00 174.94 177.86 1ufx s ASP 90 N 1.75 7.14 -0.25 3.58 1.47 -1.26 -1.81 116.67 127.30 1ufx s ASP 90 Ca 0.01 2.01 0.00 0.00 1.18 0.00 0.00 52.55 55.75 1ufx s ASP 90 Cb -0.13 -2.58 0.07 0.00 -0.34 0.00 0.00 42.92 39.94 1ufx s ASP 90 CO -0.04 -0.39 -0.02 -0.36 0.68 0.00 0.00 175.17 175.04 1ufx s PHE 91 N 0.72 2.28 -0.43 2.11 0.08 0.18 -2.64 117.98 120.29 1ufx s PHE 91 Ca 0.56 -1.75 -0.21 0.00 0.12 0.00 0.00 56.93 55.65 1ufx s PHE 91 Cb -0.29 -1.64 0.02 0.00 -0.57 0.00 0.00 43.02 40.54 1ufx s PHE 91 CO 0.31 -0.78 0.64 -1.17 -0.10 0.00 0.00 175.22 174.11 1ufx s LEU 92 N 1.43 4.48 0.18 -0.37 2.96 -0.86 -0.44 118.68 126.06 1ufx s LEU 92 Ca -0.02 -0.29 0.10 0.00 -0.22 0.00 0.00 54.13 53.70 1ufx s LEU 92 Cb -0.18 -2.73 -0.04 0.00 0.50 0.00 0.00 46.19 43.74 1ufx s LEU 92 CO -0.09 -0.75 -0.16 0.68 -1.32 0.00 0.00 176.35 174.72 1ufx s VAL 93 N 2.79 2.84 0.00 1.68 -7.23 -1.21 -0.59 120.40 118.68 1ufx s VAL 93 Ca 0.23 -1.80 0.00 0.00 -1.81 0.00 0.00 61.98 58.60 1ufx s VAL 93 Cb -0.14 -2.38 0.00 0.00 0.56 0.00 0.00 36.38 34.41 1ufx s VAL 93 CO 0.18 -0.10 0.00 1.07 -0.31 0.00 0.00 175.10 175.94 1ufx n THR 94 N 0.18 0.00 -4.07 5.32 5.66 -1.24 -0.07 114.28 120.06 1ufx n THR 94 Ca -0.12 -0.44 -0.33 0.00 -3.05 0.00 0.00 64.05 60.11 1ufx n THR 94 Cb 0.55 1.00 -0.03 0.00 -1.55 0.00 0.00 70.33 70.30 1ufx n THR 94 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 1ufx n GLU 95 N -0.89 -1.56 -0.33 1.09 2.13 -1.26 -4.79 120.64 115.03 1ufx n GLU 95 Ca 0.00 0.23 -0.01 0.00 0.66 0.00 0.00 57.16 58.04 1ufx n GLU 95 Cb 0.00 -3.72 0.03 0.00 0.27 0.00 0.00 31.44 28.02 1ufx n GLU 95 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 1ufx n PHE 96 N -4.58 0.00 -4.20 4.31 3.72 -1.26 -4.55 117.46 110.90 1ufx n PHE 96 Ca -0.24 1.04 -0.12 0.00 -0.05 0.00 0.00 57.45 58.07 1ufx n PHE 96 Cb 0.65 -0.80 -0.10 0.00 -0.94 0.00 0.00 39.48 38.29 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 -5.31 1.42 -0.16 4.37 2.47 -1.26 -5.15 114.94 111.32 1ufx s ASN 97 Ca -0.12 -0.99 -0.02 0.00 0.42 0.00 0.00 52.86 52.16 1ufx s ASN 97 Cb 0.17 0.05 0.05 0.00 -1.45 0.00 0.00 41.25 40.06 1ufx s ASN 97 CO 0.60 -0.39 -0.00 -0.94 -3.72 0.00 0.00 177.10 172.64 1ufx s SER 98 N -3.02 2.64 0.00 -4.21 1.04 -1.26 -4.86 113.70 104.03 1ufx s SER 98 Ca 0.13 -0.63 0.00 0.00 0.48 0.00 0.00 55.95 55.93 1ufx s SER 98 Cb 0.03 -0.69 0.00 0.00 0.10 0.00 0.00 66.02 65.47 1ufx s SER 98 CO -0.02 -0.24 0.00 0.61 0.98 0.00 0.00 173.24 174.57 1ufx n GLY 99 N 5.00 0.05 3.75 7.32 0.00 -1.26 -5.16 105.19 114.89 1ufx n GLY 99 Ca -0.10 -0.04 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 1ufx n GLY 99 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ufx s PRO 100 N 0.00 1.88 -0.04 1.61 0.04 -1.26 -5.07 135.00 132.16 1ufx s PRO 100 Ca 0.00 1.05 0.00 0.00 0.04 0.00 0.00 61.00 62.09 1ufx s PRO 100 Cb 0.00 -1.86 0.03 0.00 0.04 0.00 0.00 34.50 32.70 1ufx s PRO 100 CO 0.00 -1.87 -0.01 0.45 0.04 0.00 0.00 177.00 175.62 1ufx s SER 101 N -3.40 0.77 0.05 6.66 0.15 -1.26 -5.05 113.70 111.63 1ufx s SER 101 Ca 0.62 -0.05 -0.24 0.00 0.70 0.00 0.00 55.95 56.98 1ufx s SER 101 Cb -0.17 -0.30 -0.17 0.00 -1.71 0.00 0.00 66.02 63.67 1ufx s SER 101 CO 0.56 -0.11 1.58 -1.28 1.20 0.00 0.00 173.24 175.19 1ufx h SER 102 N 7.48 0.01 0.00 5.45 0.87 -2.06 -3.56 113.55 121.74 1ufx h SER 102 Ca -0.36 -0.17 0.00 0.00 -1.23 0.00 0.00 61.79 60.03 1ufx h SER 102 Cb 1.14 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.09 1ufx h SER 102 CO 0.42 0.18 0.00 0.61 -0.53 0.00 0.00 176.83 177.50