#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 6.52 0.36 1.61 0.01 -1.26 -4.99 113.70 115.96 1ufx s SER 2 Ca 0.00 2.53 0.07 0.00 1.31 0.00 0.00 55.95 59.87 1ufx s SER 2 Cb 0.00 -2.53 -0.02 0.00 0.21 0.00 0.00 66.02 63.68 1ufx s SER 2 CO 0.00 -1.01 0.40 -0.44 0.41 0.00 0.00 173.24 172.60 1ufx s SER 3 N 4.01 5.48 0.00 2.44 0.01 -1.26 -4.96 113.70 119.42 1ufx s SER 3 Ca 0.83 -0.45 0.00 0.00 1.31 0.00 0.00 55.95 57.64 1ufx s SER 3 Cb -0.40 -0.91 0.00 0.00 0.21 0.00 0.00 66.02 64.92 1ufx s SER 3 CO 0.37 -0.50 0.00 0.61 0.41 0.00 0.00 173.24 174.14 1ufx n GLY 4 N -1.55 -1.05 2.98 3.44 0.00 -1.26 -5.12 105.19 102.63 1ufx n GLY 4 Ca 0.01 0.37 -0.13 0.00 0.00 0.00 0.00 46.02 46.27 1ufx n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ufx s SER 5 N -4.00 -0.14 0.23 1.61 1.04 -1.26 -5.15 113.70 106.03 1ufx s SER 5 Ca 0.00 0.31 -0.17 0.00 0.48 0.00 0.00 55.95 56.56 1ufx s SER 5 Cb 0.00 0.25 -0.08 0.00 0.10 0.00 0.00 66.02 66.29 1ufx s SER 5 CO 0.00 -0.10 0.69 -0.44 0.98 0.00 0.00 173.24 174.37 1ufx s SER 6 N 0.67 6.95 0.00 7.02 0.01 -1.26 -4.95 113.70 122.14 1ufx s SER 6 Ca -0.05 1.32 0.00 0.00 1.31 0.00 0.00 55.95 58.53 1ufx s SER 6 Cb -0.07 -2.38 0.00 0.00 0.21 0.00 0.00 66.02 63.78 1ufx s SER 6 CO -0.03 -0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.22 1ufx n GLY 7 N 0.47 2.87 2.94 3.44 0.00 -1.26 -5.07 105.19 108.59 1ufx n GLY 7 Ca -0.01 -1.44 -0.31 0.00 0.00 0.00 0.00 46.02 44.26 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 -0.46 1.64 0.11 2.61 2.01 0.29 -4.97 115.64 116.87 1ufx s THR 8 Ca 0.00 -1.47 -0.31 0.00 0.31 0.00 0.00 61.69 60.22 1ufx s THR 8 Cb 0.00 -1.97 -0.09 0.00 0.01 0.00 0.00 72.50 70.45 1ufx s THR 8 CO 0.00 -0.24 1.56 -0.22 -0.69 0.00 0.00 174.62 175.03 1ufx s LEU 9 N 1.31 4.36 -0.31 4.42 1.98 -1.26 -2.53 118.68 126.65 1ufx s LEU 9 Ca -0.02 2.48 0.02 0.00 -2.89 0.00 0.00 54.13 53.72 1ufx s LEU 9 Cb -0.19 -3.58 0.08 0.00 0.66 0.00 0.00 46.19 43.16 1ufx s LEU 9 CO -0.08 -0.81 -0.01 -0.69 -1.89 0.00 0.00 176.35 172.87 1ufx s VAL 10 N 1.82 2.49 -0.43 1.68 1.01 0.22 -4.89 120.40 122.30 1ufx s VAL 10 Ca 0.70 -1.85 -0.29 0.00 0.00 0.00 0.00 61.98 60.54 1ufx s VAL 10 Cb -0.40 -2.60 0.03 0.00 0.00 0.00 0.00 36.38 33.41 1ufx s VAL 10 CO 0.31 -0.29 1.12 -0.60 0.00 0.00 0.00 175.10 175.63 1ufx s ARG 11 N 1.07 3.84 -0.40 2.72 3.52 -1.26 0.29 118.95 128.72 1ufx s ARG 11 Ca -0.00 0.73 -0.11 0.00 -0.13 0.00 0.00 55.73 56.22 1ufx s ARG 11 Cb -0.20 -3.85 0.05 0.00 -1.56 0.00 0.00 34.95 29.39 1ufx s ARG 11 CO -0.05 -1.22 0.25 0.08 -0.81 0.00 0.00 175.30 173.55 1ufx s VAL 12 N 4.19 4.62 0.29 7.11 1.01 -0.38 -4.91 120.40 132.32 1ufx s VAL 12 Ca 0.47 -1.02 -0.29 0.00 0.00 0.00 0.00 61.98 61.14 1ufx s VAL 12 Cb -0.09 -3.67 -0.10 0.00 0.00 0.00 0.00 36.38 32.52 1ufx s VAL 12 CO 0.26 -0.36 1.22 -0.75 0.00 0.00 0.00 175.10 175.47 1ufx s LYS 13 N 1.54 4.48 -1.33 2.72 2.36 -1.26 -0.77 119.74 127.48 1ufx s LYS 13 Ca 0.03 2.02 -0.08 0.00 -2.55 0.00 0.00 55.97 55.38 1ufx s LYS 13 Cb -0.21 -3.14 -0.08 0.00 -1.05 0.00 0.00 37.83 33.35 1ufx s LYS 13 CO 0.06 -0.03 2.64 1.63 1.55 0.00 0.00 175.35 181.20 1ufx n LYS 14 N 1.26 3.05 0.05 4.03 5.02 -1.09 -4.48 118.16 126.00 1ufx n LYS 14 Ca 0.00 -1.89 -0.20 0.00 -2.02 0.00 0.00 58.31 54.20 1ufx n LYS 14 Cb 0.43 -2.65 -0.11 0.00 -0.02 0.00 0.00 35.03 32.68 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 5.48 0.85 -2.77 4.39 0.87 -1.90 -3.46 113.55 117.00 1ufx h SER 15 Ca 0.72 -0.77 -0.29 0.00 -1.23 0.00 0.00 61.79 60.22 1ufx h SER 15 Cb 0.25 -0.26 0.15 0.00 -0.44 0.00 0.00 62.40 62.10 1ufx h SER 15 CO 1.63 1.51 0.03 0.00 -0.53 0.00 0.00 176.83 179.48 1ufx n ALA 16 N -2.65 -2.89 0.09 6.23 0.00 -1.26 -4.99 120.51 115.04 1ufx n ALA 16 Ca -0.12 -1.19 -0.23 0.00 0.00 0.00 0.00 53.44 51.90 1ufx n ALA 16 Cb 0.88 -0.09 -0.15 0.00 0.00 0.00 0.00 19.45 20.09 1ufx n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ufx h ALA 17 N -2.72 0.02 -2.49 0.00 0.00 -1.89 -3.47 119.26 108.70 1ufx h ALA 17 Ca -0.30 -0.99 -0.16 0.00 0.00 0.00 0.00 54.91 53.45 1ufx h ALA 17 Cb 0.95 0.33 -0.14 0.00 0.00 0.00 0.00 17.79 18.92 1ufx h ALA 17 CO 0.19 0.82 -0.56 -0.08 0.00 0.00 0.00 179.25 179.63 1ufx s THR 18 N -2.56 0.09 -0.37 0.00 -1.32 -1.26 -5.09 115.64 105.13 1ufx s THR 18 Ca -0.14 -1.77 -0.18 0.00 -1.21 0.00 0.00 61.69 58.38 1ufx s THR 18 Cb 0.04 -2.01 0.00 0.00 -1.51 0.00 0.00 72.50 69.03 1ufx s THR 18 CO 0.87 -0.40 0.53 -0.22 -2.21 0.00 0.00 174.62 173.19 1ufx s LEU 19 N -3.03 4.44 -0.36 9.08 2.96 -1.26 -3.35 118.68 127.16 1ufx s LEU 19 Ca 0.23 -0.16 -0.03 0.00 -0.22 0.00 0.00 54.13 53.94 1ufx s LEU 19 Cb 0.06 -2.59 0.08 0.00 0.50 0.00 0.00 46.19 44.25 1ufx s LEU 19 CO 0.02 -0.55 0.12 -0.83 -1.32 0.00 0.00 176.35 173.79 1ufx s GLY 20 N 1.81 1.89 -0.02 7.98 0.00 -1.26 -4.98 107.32 112.74 1ufx s GLY 20 Ca 0.19 -2.16 -0.19 0.00 0.00 0.00 0.00 44.72 42.56 1ufx s GLY 20 CO 0.14 0.88 0.41 -0.26 0.00 0.00 0.00 173.10 174.27 1ufx s ILE 21 N 1.22 0.04 0.06 0.90 -4.36 -1.26 -2.63 121.20 115.17 1ufx s ILE 21 Ca 0.02 -0.36 0.07 0.00 -0.26 0.00 0.00 60.65 60.12 1ufx s ILE 21 Cb -0.21 -0.75 -0.03 0.00 1.25 0.00 0.00 42.46 42.72 1ufx s ILE 21 CO -0.02 -0.20 -0.19 0.00 0.24 0.00 0.00 174.94 174.78 1ufx s ALA 22 N -1.43 1.58 0.31 2.27 0.00 0.58 -4.94 121.76 120.14 1ufx s ALA 22 Ca -0.12 -1.05 -0.02 0.00 0.00 0.00 0.00 51.96 50.77 1ufx s ALA 22 Cb -0.03 -0.25 -0.01 0.00 0.00 0.00 0.00 23.12 22.82 1ufx s ALA 22 CO 0.05 0.32 0.39 0.96 0.00 0.00 0.00 175.76 177.48 1ufx s ILE 23 N -0.96 0.00 0.36 0.00 -4.36 -1.26 -2.01 121.20 112.96 1ufx s ILE 23 Ca 0.05 -1.71 -0.10 0.00 -0.26 0.00 0.00 60.65 58.63 1ufx s ILE 23 Cb -0.09 -2.55 0.03 0.00 1.25 0.00 0.00 42.46 41.10 1ufx s ILE 23 CO 0.02 0.00 0.64 -1.83 0.24 0.00 0.00 174.94 174.01 1ufx s GLU 24 N -3.38 2.04 1.13 0.37 -1.05 -0.95 -4.83 118.70 112.03 1ufx s GLU 24 Ca 0.33 -1.54 0.00 0.00 -0.15 0.00 0.00 54.97 53.60 1ufx s GLU 24 Cb 0.01 0.54 0.00 0.00 -0.44 0.00 0.00 34.13 34.24 1ufx s GLU 24 CO 0.19 -0.91 0.00 0.41 0.95 0.00 0.00 175.26 175.91 1ufx n GLY 25 N -0.53 0.07 0.00 -3.83 0.00 -1.26 -2.53 105.19 97.11 1ufx n GLY 25 Ca -0.04 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.45 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 4.40 0.30 -0.02 0.00 0.05 -3.62 105.19 106.30 1ufx n GLY 26 Ca 0.00 -1.37 0.13 0.00 0.00 0.00 0.00 46.02 44.78 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 1.30 -0.21 4.61 0.00 -1.47 0.52 119.26 124.02 1ufx h ALA 27 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ufx h ALA 27 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1ufx h ALA 27 CO 0.00 -0.30 0.00 -1.71 0.00 0.00 0.00 179.25 177.24 1ufx n ASN 28 N -2.69 1.84 -3.59 0.00 5.15 -1.26 -4.87 115.26 109.85 1ufx n ASN 28 Ca -0.02 -2.14 -0.13 0.00 -0.60 0.00 0.00 54.58 51.70 1ufx n ASN 28 Cb 0.36 -0.35 -0.05 0.00 -0.53 0.00 0.00 39.78 39.22 1ufx n ASN 28 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 1ufx s THR 29 N -1.63 0.00 0.43 -0.44 -1.32 0.18 -5.02 115.64 107.84 1ufx s THR 29 Ca 0.16 -1.58 0.23 0.00 -1.21 0.00 0.00 61.69 59.29 1ufx s THR 29 Cb 0.11 -2.49 0.43 0.00 -1.51 0.00 0.00 72.50 69.03 1ufx s THR 29 CO 0.08 0.00 1.77 0.03 -2.21 0.00 0.00 174.62 174.29 1ufx h ARG 30 N 2.21 0.28 -5.64 7.08 3.08 -1.89 -3.35 114.38 116.16 1ufx h ARG 30 Ca -0.29 -0.02 -0.64 0.00 0.07 0.00 0.00 59.98 59.11 1ufx h ARG 30 Cb 1.24 -0.06 -0.14 0.00 0.08 0.00 0.00 29.97 31.09 1ufx h ARG 30 CO 0.39 0.19 0.27 -1.14 -1.07 0.00 0.00 179.97 178.61 1ufx s GLN 31 N -5.36 3.35 0.05 0.04 2.00 -1.26 -4.94 119.66 113.54 1ufx s GLN 31 Ca -0.08 -0.22 -0.20 0.00 -2.00 0.00 0.00 55.36 52.87 1ufx s GLN 31 Cb 0.25 -3.95 -0.13 0.00 0.80 0.00 0.00 33.01 29.98 1ufx s GLN 31 CO 0.80 -1.09 1.36 -1.00 -0.50 0.00 0.00 175.29 174.86 1ufx h PRO 32 N 8.95 0.40 -6.08 1.67 0.13 -1.73 0.18 132.00 135.52 1ufx h PRO 32 Ca -0.25 -0.21 -0.58 0.00 -0.87 0.00 0.00 66.00 64.09 1ufx h PRO 32 Cb 1.09 0.01 -0.05 0.00 0.13 0.00 0.00 31.00 32.17 1ufx h PRO 32 CO 0.94 0.77 -0.52 -0.51 -0.23 0.00 0.00 178.00 178.44 1ufx s LEU 33 N -9.09 4.10 0.25 1.56 2.01 -1.26 -3.08 118.68 113.17 1ufx s LEU 33 Ca -0.14 0.08 -0.30 0.00 0.01 0.00 0.00 54.13 53.78 1ufx s LEU 33 Cb 0.06 -2.71 -0.09 0.00 0.01 0.00 0.00 46.19 43.46 1ufx s LEU 33 CO 0.76 0.10 1.27 -2.16 1.01 0.00 0.00 176.35 177.33 1ufx s PRO 34 N -2.90 4.43 -0.12 1.29 0.04 -1.25 -4.50 135.00 131.99 1ufx s PRO 34 Ca 0.33 2.05 0.01 0.00 0.04 0.00 0.00 61.00 63.42 1ufx s PRO 34 Cb -0.11 -3.16 -0.01 0.00 0.04 0.00 0.00 34.50 31.26 1ufx s PRO 34 CO 0.26 -0.14 -0.15 0.50 0.04 0.00 0.00 177.00 177.51 1ufx s ARG 35 N -0.86 3.32 -0.17 4.56 3.52 -1.05 -1.02 118.95 127.25 1ufx s ARG 35 Ca 0.52 -0.72 -0.29 0.00 -0.13 0.00 0.00 55.73 55.11 1ufx s ARG 35 Cb -0.36 -2.57 -0.04 0.00 -1.56 0.00 0.00 34.95 30.41 1ufx s ARG 35 CO 0.43 0.21 1.77 0.42 -0.81 0.00 0.00 175.30 177.32 1ufx s ILE 36 N 0.34 3.47 -0.20 4.11 1.01 0.18 -2.25 121.20 127.85 1ufx s ILE 36 Ca -0.12 0.53 0.16 0.00 0.00 0.00 0.00 60.65 61.22 1ufx s ILE 36 Cb -0.16 -3.47 -0.24 0.00 0.01 0.00 0.00 42.46 38.60 1ufx s ILE 36 CO 0.06 -0.18 0.04 1.33 0.00 0.00 0.00 174.94 176.19 1ufx n VAL 37 N 6.42 1.38 -3.74 2.92 0.24 -0.85 0.06 118.33 124.76 1ufx n VAL 37 Ca 0.21 -0.82 -0.12 0.00 -2.04 0.00 0.00 64.34 61.56 1ufx n VAL 37 Cb 0.44 -0.55 -0.12 0.00 -1.47 0.00 0.00 33.84 32.15 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 -2.48 -0.02 -0.34 3.34 2.01 -1.23 -4.80 115.64 112.12 1ufx s THR 38 Ca -0.12 0.06 0.01 0.00 0.31 0.00 0.00 61.69 61.95 1ufx s THR 38 Cb 0.06 -0.45 0.09 0.00 0.01 0.00 0.00 72.50 72.21 1ufx s THR 38 CO 0.80 0.03 0.06 -0.63 -0.69 0.00 0.00 174.62 174.19 1ufx s ILE 39 N 0.73 2.67 0.04 1.82 1.01 -1.26 -0.30 121.20 125.90 1ufx s ILE 39 Ca -0.05 -2.01 -0.37 0.00 0.00 0.00 0.00 60.65 58.22 1ufx s ILE 39 Cb -0.06 -2.80 -0.17 0.00 0.01 0.00 0.00 42.46 39.45 1ufx s ILE 39 CO -0.05 -0.47 1.39 0.00 0.00 0.00 0.00 174.94 175.81 1ufx n GLN 40 N 4.43 1.14 -2.75 2.79 6.02 -1.08 -4.84 117.38 123.09 1ufx n GLN 40 Ca -0.03 0.41 -0.43 0.00 -0.01 0.00 0.00 57.00 56.94 1ufx n GLN 40 Cb 0.42 -2.06 0.00 0.00 1.02 0.00 0.00 30.24 29.62 1ufx n GLN 40 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 1ufx n ARG 41 N 2.87 3.30 0.00 -1.09 0.63 -1.26 -4.00 116.66 117.11 1ufx n ARG 41 Ca 0.19 -3.59 0.00 0.00 -0.92 0.00 0.00 57.85 53.54 1ufx n ARG 41 Cb 0.18 -3.22 0.00 0.00 0.45 0.00 0.00 32.46 29.88 1ufx n ARG 41 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1ufx n GLY 42 N 4.53 0.00 0.00 5.14 0.00 -1.26 -5.09 105.19 108.51 1ufx n GLY 42 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.44 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 0.00 4.75 0.20 -0.02 0.00 -1.26 -4.74 105.19 104.13 1ufx n GLY 43 Ca 0.00 -1.27 -0.11 0.00 0.00 0.00 0.00 46.02 44.64 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 0.00 0.65 0.28 1.61 4.64 -1.85 -3.14 113.55 115.74 1ufx h SER 44 Ca 0.00 -0.39 -0.01 0.00 -0.47 0.00 0.00 61.79 60.92 1ufx h SER 44 Cb 0.00 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 61.90 1ufx h SER 44 CO 0.00 1.13 -0.13 0.00 -0.87 0.00 0.00 176.83 176.95 1ufx h ALA 45 N 0.87 -0.74 -0.89 5.18 0.00 -1.89 -2.98 119.26 118.81 1ufx h ALA 45 Ca -0.02 -0.08 0.12 0.00 0.00 0.00 0.00 54.91 54.93 1ufx h ALA 45 Cb 1.22 0.14 -0.13 0.00 0.00 0.00 0.00 17.79 19.03 1ufx h ALA 45 CO 0.12 -0.71 -0.42 1.58 0.00 0.00 0.00 179.25 179.83 1ufx n HIS 46 N -3.44 -0.13 -0.29 0.00 -0.00 -1.26 0.12 115.22 110.22 1ufx n HIS 46 Ca -0.05 1.11 0.10 0.00 -0.00 0.00 0.00 57.72 58.88 1ufx n HIS 46 Cb 0.15 -0.74 0.26 0.00 -0.00 0.00 0.00 29.99 29.66 1ufx n HIS 46 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 176.34 175.43 1ufx h ASN 47 N 0.00 0.22 0.00 0.26 2.35 -1.63 -3.02 115.58 113.77 1ufx h ASN 47 Ca 0.25 0.15 -0.66 0.00 -0.55 0.00 0.00 56.30 55.49 1ufx h ASN 47 Cb 0.47 0.15 0.00 0.00 0.05 0.00 0.00 38.32 39.00 1ufx h ASN 47 CO -0.87 -0.01 2.81 0.00 -1.65 0.00 0.00 177.43 177.72 1ufx n GLY 49 N 4.22 -0.76 0.32 0.00 0.00 -1.14 -0.34 105.19 107.49 1ufx n GLY 49 Ca 0.52 0.38 0.19 0.00 0.00 0.00 0.00 46.02 47.10 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 0.30 -7.46 1.61 5.75 -1.89 -3.40 115.11 110.02 1ufx h GLN 50 Ca 0.51 -0.02 -0.49 0.00 -0.15 0.00 0.00 58.65 58.50 1ufx h GLN 50 Cb 2.96 -0.07 0.08 0.00 1.07 0.00 0.00 27.48 31.52 1ufx h GLN 50 CO -0.01 0.20 0.40 -0.51 -2.65 0.00 0.00 178.83 176.26 1ufx s LEU 51 N -10.52 2.90 0.17 -2.39 1.43 0.54 -5.10 118.68 105.72 1ufx s LEU 51 Ca -0.11 1.09 -0.12 0.00 -1.03 0.00 0.00 54.13 53.96 1ufx s LEU 51 Cb 0.28 -3.88 0.00 0.00 0.03 0.00 0.00 46.19 42.63 1ufx s LEU 51 CO 0.78 -1.35 0.36 -0.54 0.23 0.00 0.00 176.35 175.83 1ufx s LYS 52 N -5.35 1.21 -0.29 1.70 1.02 -1.26 -5.03 119.74 111.74 1ufx s LYS 52 Ca 0.58 -1.05 -0.29 0.00 0.02 0.00 0.00 55.97 55.23 1ufx s LYS 52 Cb -0.11 0.42 0.00 0.00 -0.52 0.00 0.00 37.83 37.62 1ufx s LYS 52 CO 0.51 -0.47 1.29 0.08 -0.92 0.00 0.00 175.35 175.85 1ufx s VAL 53 N -3.93 4.16 0.00 3.17 1.01 -1.26 -3.30 120.40 120.25 1ufx s VAL 53 Ca 0.14 1.32 0.00 0.00 0.00 0.00 0.00 61.98 63.43 1ufx s VAL 53 Cb 0.02 -4.14 0.00 0.00 0.00 0.00 0.00 36.38 32.26 1ufx s VAL 53 CO -0.02 -0.44 0.00 0.61 0.00 0.00 0.00 175.10 175.25 1ufx n GLY 54 N 4.24 0.39 3.75 4.51 0.00 0.11 -4.99 105.19 113.19 1ufx n GLY 54 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.38 1.78 -0.22 1.61 3.76 -1.21 -4.66 115.29 114.97 1ufx s HIS 55 Ca 0.00 0.68 -0.03 0.00 -0.15 0.00 0.00 55.06 55.57 1ufx s HIS 55 Cb 0.00 -3.51 0.07 0.00 1.11 0.00 0.00 32.58 30.25 1ufx s HIS 55 CO 0.00 -2.88 0.07 0.08 -0.85 0.00 0.00 174.74 171.15 1ufx s VAL 56 N -3.27 0.41 -0.39 -0.90 1.01 -1.26 0.47 120.40 116.47 1ufx s VAL 56 Ca 0.68 -0.68 -0.29 0.00 0.00 0.00 0.00 61.98 61.69 1ufx s VAL 56 Cb -0.12 -1.07 0.00 0.00 0.00 0.00 0.00 36.38 35.19 1ufx s VAL 56 CO 0.54 -0.37 1.50 -0.63 0.00 0.00 0.00 175.10 176.14 1ufx s ILE 57 N 1.89 3.81 -0.14 2.22 1.01 -0.19 -3.62 121.20 126.18 1ufx s ILE 57 Ca 0.03 0.83 0.04 0.00 0.00 0.00 0.00 60.65 61.54 1ufx s ILE 57 Cb -0.17 -4.08 -0.23 0.00 0.01 0.00 0.00 42.46 37.99 1ufx s ILE 57 CO -0.15 -0.67 0.29 0.18 0.00 0.00 0.00 174.94 174.59 1ufx n LEU 58 N 9.10 1.84 -3.91 2.97 4.77 0.49 -3.82 117.00 128.44 1ufx n LEU 58 Ca 0.18 0.17 -0.12 0.00 -0.03 0.00 0.00 56.01 56.21 1ufx n LEU 58 Cb 0.48 -0.49 -0.13 0.00 -2.33 0.00 0.00 43.42 40.94 1ufx n LEU 58 CO 0.70 0.69 -0.36 -0.70 -1.33 0.00 0.00 177.39 176.39 1ufx s GLU 59 N -2.55 0.12 -0.16 3.23 2.12 -1.24 -0.34 118.70 119.88 1ufx s GLU 59 Ca -0.18 -0.18 -0.03 0.00 0.36 0.00 0.00 54.97 54.93 1ufx s GLU 59 Cb 0.07 -0.01 0.05 0.00 0.26 0.00 0.00 34.13 34.50 1ufx s GLU 59 CO 0.76 -0.00 0.05 0.08 -0.54 0.00 0.00 175.26 175.60 1ufx s VAL 60 N -0.40 0.30 -1.54 3.70 1.01 0.16 -1.63 120.40 122.00 1ufx s VAL 60 Ca -0.04 -0.29 -0.03 0.00 0.00 0.00 0.00 61.98 61.62 1ufx s VAL 60 Cb -0.03 -0.78 0.00 0.00 0.00 0.00 0.00 36.38 35.57 1ufx s VAL 60 CO -0.00 -0.13 0.37 0.59 0.00 0.00 0.00 175.10 175.93 1ufx n ASN 61 N 5.14 -5.79 0.00 3.32 4.13 -1.13 -1.77 115.26 119.17 1ufx n ASN 61 Ca -0.08 -0.18 0.00 0.00 1.68 0.00 0.00 54.58 56.00 1ufx n ASN 61 Cb 0.48 -4.68 0.00 0.00 -1.54 0.00 0.00 39.78 34.04 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 -1.32 2.85 3.73 7.41 0.00 -1.26 -5.02 105.19 111.58 1ufx n GLY 62 Ca -0.15 -0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 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 0.09 0.99 1.02 -0.73 -5.00 118.68 119.43 1ufx s LEU 63 Ca 0.00 2.51 -0.19 0.00 0.02 0.00 0.00 54.13 56.47 1ufx s LEU 63 Cb 0.00 -3.60 -0.07 0.00 0.02 0.00 0.00 46.19 42.54 1ufx s LEU 63 CO 0.00 -0.70 0.57 0.42 0.02 0.00 0.00 176.35 176.66 1ufx s THR 64 N 0.71 4.74 -1.33 5.49 -4.23 -1.26 -0.66 115.64 119.09 1ufx s THR 64 Ca 0.64 1.19 0.11 0.00 -1.18 0.00 0.00 61.69 62.45 1ufx s THR 64 Cb -0.40 -3.89 0.13 0.00 1.34 0.00 0.00 72.50 69.68 1ufx s THR 64 CO 0.35 0.52 0.93 0.18 -0.54 0.00 0.00 174.62 176.05 1ufx n LEU 65 N 1.60 2.12 -0.29 4.79 4.77 0.54 -4.59 117.00 125.95 1ufx n LEU 65 Ca -0.10 -1.18 0.34 0.00 -0.03 0.00 0.00 56.01 55.05 1ufx n LEU 65 Cb 0.51 -0.04 0.74 0.00 -2.33 0.00 0.00 43.42 42.30 1ufx n LEU 65 CO 0.41 0.43 1.31 0.08 -1.33 0.00 0.00 177.39 178.30 1ufx h ARG 66 N 2.20 0.00 -0.16 3.23 0.11 -1.86 0.73 114.38 118.63 1ufx h ARG 66 Ca 0.00 0.00 -0.15 0.00 0.10 0.00 0.00 59.98 59.93 1ufx h ARG 66 Cb 0.52 0.00 -0.19 0.00 1.11 0.00 0.00 29.97 31.41 1ufx h ARG 66 CO 0.00 0.00 -0.72 0.41 0.10 0.00 0.00 179.97 179.76 1ufx n GLY 67 N -1.75 4.20 3.47 0.08 0.00 -1.26 -4.75 105.19 105.18 1ufx n GLY 67 Ca 0.24 -1.42 -0.30 0.00 0.00 0.00 0.00 46.02 44.54 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 -2.62 1.96 0.16 1.61 -0.14 0.25 -4.92 119.74 116.04 1ufx s LYS 68 Ca 0.39 -1.06 -0.15 0.00 -1.36 0.00 0.00 55.97 53.79 1ufx s LYS 68 Cb 0.38 -2.16 -0.07 0.00 -1.68 0.00 0.00 37.83 34.30 1ufx s LYS 68 CO -0.07 0.52 0.57 -1.21 -0.76 0.00 0.00 175.35 174.40 1ufx s GLU 69 N -1.71 4.00 0.25 1.68 2.02 -1.26 -3.07 118.70 120.61 1ufx s GLU 69 Ca 0.16 0.53 0.11 0.00 0.02 0.00 0.00 54.97 55.78 1ufx s GLU 69 Cb -0.11 -2.91 0.83 0.00 0.10 0.00 0.00 34.13 32.04 1ufx s GLU 69 CO 0.07 0.46 1.13 1.58 0.02 0.00 0.00 175.26 178.52 1ufx n HIS 70 N 0.75 0.71 -0.05 1.61 -0.00 -1.24 0.21 115.22 117.21 1ufx n HIS 70 Ca -0.05 0.85 -0.12 0.00 -0.00 0.00 0.00 57.72 58.40 1ufx n HIS 70 Cb 0.52 -1.20 -0.07 0.00 -0.00 0.00 0.00 29.99 29.24 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 0.26 -1.00 1.57 1.12 -1.92 -1.84 114.38 112.57 1ufx h ARG 71 Ca 0.55 -0.11 0.02 0.00 -1.11 0.00 0.00 59.98 59.34 1ufx h ARG 71 Cb 1.38 -0.01 -0.05 0.00 -0.01 0.00 0.00 29.97 31.27 1ufx h ARG 71 CO -0.59 0.57 0.66 1.49 -3.11 0.00 0.00 179.97 178.99 1ufx h GLU 72 N -0.06 1.28 0.02 0.20 4.81 0.21 -2.79 114.58 118.25 1ufx h GLU 72 Ca 0.03 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1ufx h GLU 72 Cb 0.48 -0.29 0.00 0.00 0.63 0.00 0.00 28.75 29.57 1ufx h GLU 72 CO 0.02 0.85 -0.01 0.00 -0.73 0.00 0.00 179.01 179.13 1ufx h ALA 73 N 1.39 -0.03 -1.07 2.92 0.00 -0.84 -2.29 119.26 119.34 1ufx h ALA 73 Ca 0.38 -0.14 0.32 0.00 0.00 0.00 0.00 54.91 55.48 1ufx h ALA 73 Cb -0.09 0.01 -0.13 0.00 0.00 0.00 0.00 17.79 17.59 1ufx h ALA 73 CO -0.10 -0.38 0.65 0.00 0.00 0.00 0.00 179.25 179.42 1ufx h ALA 74 N 0.68 2.15 -0.04 0.00 0.00 -1.06 0.15 119.26 121.14 1ufx h ALA 74 Ca -0.00 0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 1ufx h ALA 74 Cb 0.28 0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.19 1ufx h ALA 74 CO 0.00 -0.70 -0.32 -0.09 0.00 0.00 0.00 179.25 178.14 1ufx h ARG 75 N 0.33 0.29 -0.32 0.00 2.43 -1.35 -2.82 114.38 112.94 1ufx h ARG 75 Ca 0.71 -0.26 0.06 0.00 -0.81 0.00 0.00 59.98 59.68 1ufx h ARG 75 Cb 1.75 0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 31.30 1ufx h ARG 75 CO -0.48 0.93 -0.09 0.82 -1.51 0.00 0.00 179.97 179.64 1ufx h ILE 76 N -0.25 0.67 -0.07 1.20 2.04 -0.20 -0.57 117.51 120.33 1ufx h ILE 76 Ca -0.03 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.84 1ufx h ILE 76 Cb 1.01 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.74 1ufx h ILE 76 CO 0.07 0.00 0.02 0.40 0.00 0.00 0.00 178.15 178.63 1ufx h ILE 77 N -0.01 0.98 -0.67 -0.67 2.04 -1.20 -2.66 117.51 115.31 1ufx h ILE 77 Ca 0.16 -0.02 0.10 0.00 1.00 0.00 0.00 64.86 66.10 1ufx h ILE 77 Cb 0.24 0.93 -0.08 0.00 -0.74 0.00 0.00 36.82 37.17 1ufx h ILE 77 CO -0.34 0.01 0.28 0.00 0.00 0.00 0.00 178.15 178.11 1ufx h ALA 78 N 1.05 0.91 -0.43 1.87 0.00 -1.16 0.39 119.26 121.88 1ufx h ALA 78 Ca 0.03 0.08 0.08 0.00 0.00 0.00 0.00 54.91 55.10 1ufx h ALA 78 Cb 0.02 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1ufx h ALA 78 CO -0.04 -0.15 0.29 0.93 0.00 0.00 0.00 179.25 180.29 1ufx h GLU 79 N 0.48 0.20 0.00 0.00 5.08 -0.78 0.27 114.58 119.82 1ufx h GLU 79 Ca 0.34 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 1ufx h GLU 79 Cb 0.43 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1ufx h GLU 79 CO -0.32 0.13 0.00 0.00 -1.00 0.00 0.00 179.01 177.83 1ufx h ALA 80 N 1.78 1.00 0.07 3.43 0.00 -0.65 -2.95 119.26 121.93 1ufx h ALA 80 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 54.91 54.73 1ufx h ALA 80 Cb 0.51 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 1ufx h ALA 80 CO -0.03 0.00 -2.20 0.34 0.00 0.00 0.00 179.25 177.36 1ufx n PHE 81 N -2.33 0.72 0.46 0.00 7.35 0.85 -4.53 117.46 119.98 1ufx n PHE 81 Ca 0.03 0.15 -0.19 0.00 -0.76 0.00 0.00 57.45 56.68 1ufx n PHE 81 Cb 0.27 -1.09 -0.09 0.00 0.35 0.00 0.00 39.48 38.92 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 -1.16 -6.04 -4.13 1.57 -1.26 -3.44 116.57 102.15 1ufx h LYS 82 Ca -0.49 0.08 -0.61 0.00 -1.87 0.00 0.00 60.65 57.75 1ufx h LYS 82 Cb 1.97 0.26 0.16 0.00 0.08 0.00 0.00 32.23 34.71 1ufx h LYS 82 CO 0.01 -0.77 -0.95 -2.37 -0.57 0.00 0.00 179.45 174.80 1ufx n THR 83 N -5.36 0.60 -0.08 -0.16 5.66 -1.12 -4.92 114.28 108.90 1ufx n THR 83 Ca -0.15 -0.50 -0.17 0.00 -3.05 0.00 0.00 64.05 60.18 1ufx n THR 83 Cb 0.48 -0.05 -0.13 0.00 -1.55 0.00 0.00 70.33 69.08 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 1.29 0.69 -0.37 1.09 0.00 -1.26 -4.51 118.16 115.08 1ufx n LYS 84 Ca 0.10 0.17 -0.09 0.00 0.00 0.00 0.00 58.31 58.49 1ufx n LYS 84 Cb 0.42 -1.59 -0.08 0.00 0.00 0.00 0.00 35.03 33.78 1ufx n LYS 84 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1ufx n ASP 85 N -3.25 -0.92 -4.71 3.14 2.03 -1.26 -4.12 116.55 107.45 1ufx n ASP 85 Ca -0.39 1.59 -0.39 0.00 0.52 0.00 0.00 54.79 56.12 1ufx n ASP 85 Cb 1.03 -0.21 -0.05 0.00 -0.72 0.00 0.00 41.12 41.16 1ufx n ASP 85 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 1ufx s ARG 86 N -5.47 4.39 -0.56 -0.67 3.52 -1.26 -4.96 118.95 113.93 1ufx s ARG 86 Ca -0.11 0.71 0.01 0.00 -0.13 0.00 0.00 55.73 56.21 1ufx s ARG 86 Cb 0.10 -3.45 0.52 0.00 -1.56 0.00 0.00 34.95 30.56 1ufx s ARG 86 CO 0.56 0.07 1.92 -0.40 -0.81 0.00 0.00 175.30 176.65 1ufx n ASP 87 N 3.85 6.04 -3.42 -2.12 5.68 -1.26 -4.89 116.55 120.43 1ufx n ASP 87 Ca -0.03 -3.73 0.01 0.00 -0.50 0.00 0.00 54.79 50.53 1ufx n ASP 87 Cb 0.51 -0.88 0.01 0.00 -1.14 0.00 0.00 41.12 39.63 1ufx n ASP 87 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1ufx n TYR 88 N -0.99 -0.71 -3.64 2.11 0.18 -1.26 -2.69 117.16 110.16 1ufx n TYR 88 Ca 0.59 -0.85 -0.16 0.00 1.88 0.00 0.00 57.90 59.37 1ufx n TYR 88 Cb 1.02 0.40 -0.14 0.00 -0.38 0.00 0.00 39.34 40.23 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 -2.05 -0.33 0.03 -3.48 1.01 0.05 -4.81 121.20 111.62 1ufx s ILE 89 Ca 0.25 0.26 -0.30 0.00 0.00 0.00 0.00 60.65 60.86 1ufx s ILE 89 Cb -0.01 -0.41 -0.05 0.00 0.01 0.00 0.00 42.46 42.00 1ufx s ILE 89 CO 0.02 0.09 1.21 -1.81 0.00 0.00 0.00 174.94 174.44 1ufx s ASP 90 N 2.35 7.07 -0.30 3.58 1.01 -1.26 -1.25 116.67 127.85 1ufx s ASP 90 Ca 0.03 1.97 0.03 0.00 0.71 0.00 0.00 52.55 55.28 1ufx s ASP 90 Cb -0.13 -2.57 0.09 0.00 1.01 0.00 0.00 42.92 41.32 1ufx s ASP 90 CO -0.08 -0.50 0.01 -0.36 0.21 0.00 0.00 175.17 174.45 1ufx s PHE 91 N 1.39 3.13 -0.61 4.23 0.08 0.14 -2.82 117.98 123.52 1ufx s PHE 91 Ca 0.58 -2.48 -0.23 0.00 0.12 0.00 0.00 56.93 54.92 1ufx s PHE 91 Cb -0.28 -2.35 0.06 0.00 -0.57 0.00 0.00 43.02 39.88 1ufx s PHE 91 CO 0.27 -0.90 0.93 -1.17 -0.10 0.00 0.00 175.22 174.26 1ufx s LEU 92 N 1.13 4.33 0.31 -0.37 2.96 -0.65 0.72 118.68 127.11 1ufx s LEU 92 Ca 0.05 -0.77 0.09 0.00 -0.22 0.00 0.00 54.13 53.27 1ufx s LEU 92 Cb -0.19 -2.55 -0.04 0.00 0.50 0.00 0.00 46.19 43.91 1ufx s LEU 92 CO -0.10 -1.33 0.10 0.68 -1.32 0.00 0.00 176.35 174.38 1ufx s VAL 93 N 3.93 3.31 -0.24 1.68 -7.23 -1.05 -0.38 120.40 120.41 1ufx s VAL 93 Ca 0.24 -1.73 -0.03 0.00 -1.81 0.00 0.00 61.98 58.66 1ufx s VAL 93 Cb -0.16 -2.98 0.11 0.00 0.56 0.00 0.00 36.38 33.92 1ufx s VAL 93 CO 0.13 -0.26 0.26 0.28 -0.31 0.00 0.00 175.10 175.20 1ufx s THR 94 N -2.36 -0.37 -1.07 5.32 -1.32 -1.24 -0.55 115.64 114.05 1ufx s THR 94 Ca 0.35 -0.27 -0.26 0.00 -1.21 0.00 0.00 61.69 60.30 1ufx s THR 94 Cb -0.04 -0.81 -0.20 0.00 -1.51 0.00 0.00 72.50 69.93 1ufx s THR 94 CO 0.22 -0.31 2.12 -1.61 -2.21 0.00 0.00 174.62 172.83 1ufx s GLU 95 N 2.35 1.35 -0.70 7.08 2.02 -1.26 -4.59 118.70 124.95 1ufx s GLU 95 Ca 0.08 -0.43 -0.25 0.00 0.02 0.00 0.00 54.97 54.39 1ufx s GLU 95 Cb -0.15 -4.99 -0.13 0.00 0.10 0.00 0.00 34.13 28.96 1ufx s GLU 95 CO -0.21 -5.26 2.42 1.19 0.02 0.00 0.00 175.26 173.42 1ufx n PHE 96 N 19.06 1.16 -3.91 1.61 3.72 -1.26 -4.88 117.46 132.96 1ufx n PHE 96 Ca 0.42 0.05 -0.18 0.00 -0.05 0.00 0.00 57.45 57.70 1ufx n PHE 96 Cb 0.47 -2.49 -0.16 0.00 -0.94 0.00 0.00 39.48 36.35 1ufx n PHE 96 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 1ufx s ASN 97 N 10.66 0.60 -0.46 4.37 0.01 -1.26 -5.10 114.94 123.76 1ufx s ASN 97 Ca 0.99 -0.03 0.03 0.00 -0.71 0.00 0.00 52.86 53.14 1ufx s ASN 97 Cb -0.24 -0.25 0.13 0.00 0.41 0.00 0.00 41.25 41.30 1ufx s ASN 97 CO 0.20 -0.11 0.24 -0.55 -1.51 0.00 0.00 177.10 175.36 1ufx s SER 98 N 1.17 3.95 0.00 -1.22 0.15 -1.26 -5.06 113.70 111.42 1ufx s SER 98 Ca -0.08 -2.72 0.00 0.00 0.70 0.00 0.00 55.95 53.85 1ufx s SER 98 Cb -0.13 -1.27 0.00 0.00 -1.71 0.00 0.00 66.02 62.90 1ufx s SER 98 CO -0.02 -0.26 0.00 0.61 1.20 0.00 0.00 173.24 174.77 1ufx n GLY 99 N 3.45 2.79 0.23 9.45 0.00 -1.26 -4.87 105.19 114.99 1ufx n GLY 99 Ca 0.07 -2.06 -0.09 0.00 0.00 0.00 0.00 46.02 43.94 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 0.64 -4.12 1.61 0.13 -2.07 -3.41 132.00 124.78 1ufx h PRO 100 Ca 0.00 -0.34 -0.57 0.00 -0.87 0.00 0.00 66.00 64.22 1ufx h PRO 100 Cb 0.00 0.01 -0.38 0.00 0.13 0.00 0.00 31.00 30.76 1ufx h PRO 100 CO 0.00 0.94 -0.78 -1.54 -0.23 0.00 0.00 178.00 176.39 1ufx s SER 101 N -6.86 3.35 0.09 1.44 1.04 -1.26 -5.13 113.70 106.37 1ufx s SER 101 Ca -0.08 -0.95 0.08 0.00 0.48 0.00 0.00 55.95 55.48 1ufx s SER 101 Cb 0.12 -0.97 -0.04 0.00 0.10 0.00 0.00 66.02 65.23 1ufx s SER 101 CO 0.84 -0.24 -0.16 -0.94 0.98 0.00 0.00 173.24 173.72 1ufx s SER 102 N 1.57 4.01 0.00 7.02 1.04 -1.26 -5.06 113.70 121.02 1ufx s SER 102 Ca -0.03 -0.47 0.00 0.00 0.48 0.00 0.00 55.95 55.94 1ufx s SER 102 Cb -0.17 -0.65 0.00 0.00 0.10 0.00 0.00 66.02 65.29 1ufx s SER 102 CO -0.07 0.20 0.00 0.61 0.98 0.00 0.00 173.24 174.96