#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ubc n PRO 6 N 0.00 0.00 0.00 0.00 -0.04 -1.26 -4.63 135.00 129.07 1ubc n PRO 6 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1ubc n PRO 6 Cb 0.00 -0.13 0.00 0.00 -0.04 0.00 0.00 33.50 33.33 1ubc n PRO 6 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1ubc n ASP 7 N -0.17 0.00 0.16 3.54 5.68 -1.26 -1.30 116.55 123.21 1ubc n ASP 7 Ca 0.00 0.00 -0.17 0.00 -0.50 0.00 0.00 54.79 54.12 1ubc n ASP 7 Cb 0.00 0.00 -0.10 0.00 -1.14 0.00 0.00 41.12 39.88 1ubc n ASP 7 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 1ubc h ARG 8 N 0.00 -0.78 -0.13 0.11 3.08 -1.99 0.13 114.38 114.79 1ubc h ARG 8 Ca 0.00 0.05 0.04 0.00 0.07 0.00 0.00 59.98 60.15 1ubc h ARG 8 Cb 0.00 0.18 -0.05 0.00 0.08 0.00 0.00 29.97 30.18 1ubc h ARG 8 CO 0.00 -0.52 -0.16 0.93 -1.07 0.00 0.00 179.97 179.15 1ubc h GLU 9 N -0.81 -0.19 -1.00 0.04 4.39 -1.46 0.17 114.58 115.72 1ubc h GLU 9 Ca -0.02 0.01 0.23 0.00 0.34 0.00 0.00 59.36 59.92 1ubc h GLU 9 Cb 0.78 0.04 -0.10 0.00 -0.10 0.00 0.00 28.75 29.37 1ubc h GLU 9 CO -0.22 -0.13 0.62 -0.22 -1.16 0.00 0.00 179.01 177.90 1ubc h LYS 10 N -0.20 0.56 -0.09 2.33 3.64 -1.50 2.28 116.57 123.60 1ubc h LYS 10 Ca 0.10 -0.03 -0.21 0.00 -1.27 0.00 0.00 60.65 59.23 1ubc h LYS 10 Cb 0.34 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 1ubc h LYS 10 CO -0.25 0.37 -0.81 0.00 -2.27 0.00 0.00 179.45 176.50 1ubc h ALA 11 N 1.66 0.41 0.60 5.00 0.00 0.18 -2.46 119.26 124.66 1ubc h ALA 11 Ca 0.59 -0.63 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1ubc h ALA 11 Cb 1.18 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.95 1ubc h ALA 11 CO -0.36 0.73 -0.29 1.25 0.00 0.00 0.00 179.25 180.58 1ubc h LEU 12 N 0.38 -0.69 -0.73 0.00 5.85 0.32 -0.02 115.31 120.42 1ubc h LEU 12 Ca -0.05 -0.03 0.12 0.00 0.84 0.00 0.00 57.88 58.75 1ubc h LEU 12 Cb 1.42 0.18 -0.13 0.00 0.37 0.00 0.00 40.66 42.50 1ubc h LEU 12 CO 0.15 -0.36 -0.38 -0.08 -0.34 0.00 0.00 178.44 177.43 1ubc h GLU 13 N -1.01 -0.11 -0.79 1.25 4.81 0.34 0.51 114.58 119.58 1ubc h GLU 13 Ca -0.08 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.14 1ubc h GLU 13 Cb 0.67 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 30.04 1ubc h GLU 13 CO 0.14 -0.07 0.42 -0.07 -0.73 0.00 0.00 179.01 178.70 1ubc h LEU 14 N -0.12 0.99 0.00 1.64 3.38 -1.44 -1.68 115.31 118.09 1ubc h LEU 14 Ca 0.26 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1ubc h LEU 14 Cb 0.56 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1ubc h LEU 14 CO -0.79 0.81 0.00 0.00 0.09 0.00 0.00 178.44 178.55 1ubc n ALA 15 N -2.37 -0.19 0.28 1.53 0.00 0.10 -1.60 120.51 118.26 1ubc n ALA 15 Ca 0.07 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.56 1ubc n ALA 15 Cb 0.10 0.12 0.13 0.00 0.00 0.00 0.00 19.45 19.80 1ubc n ALA 15 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 1ubc h MET 16 N 0.00 0.00 0.12 0.00 -1.53 -0.14 0.15 114.93 113.53 1ubc h MET 16 Ca 0.00 0.00 -0.01 0.00 -3.44 0.00 0.00 59.70 56.25 1ubc h MET 16 Cb 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.05 1ubc h MET 16 CO 0.00 0.00 -0.06 0.00 0.14 0.00 0.00 176.91 176.99 1ubc h ALA 17 N 0.19 -0.24 -0.76 0.39 0.00 -0.31 -3.24 119.26 115.29 1ubc h ALA 17 Ca 0.05 -0.04 0.19 0.00 0.00 0.00 0.00 54.91 55.11 1ubc h ALA 17 Cb 1.95 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 19.76 1ubc h ALA 17 CO -0.00 -0.23 0.52 1.96 0.00 0.00 0.00 179.25 181.50 1ubc h GLN 18 N -0.66 0.22 0.02 0.00 4.20 0.12 -0.58 115.11 118.42 1ubc h GLN 18 Ca -0.02 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 1ubc h GLN 18 Cb 0.13 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 27.86 1ubc h GLN 18 CO 0.03 0.14 -0.01 0.82 -0.67 0.00 0.00 178.83 179.14 1ubc h ILE 19 N 0.22 0.00 -0.92 2.54 2.04 -1.57 -1.75 117.51 118.07 1ubc h ILE 19 Ca 0.38 0.00 0.26 0.00 1.00 0.00 0.00 64.86 66.49 1ubc h ILE 19 Cb 1.14 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 37.08 1ubc h ILE 19 CO -0.08 0.00 0.33 0.44 0.00 0.00 0.00 178.15 178.84 1ubc h ASP 20 N -0.03 0.15 -0.17 1.72 5.19 -1.43 0.56 116.42 122.41 1ubc h ASP 20 Ca -0.00 0.20 0.05 0.00 -0.62 0.00 0.00 57.03 56.65 1ubc h ASP 20 Cb 0.03 0.23 -0.07 0.00 0.18 0.00 0.00 39.33 39.70 1ubc h ASP 20 CO 0.00 -0.15 -0.31 0.11 -3.12 0.00 0.00 179.24 175.78 1ubc h LYS 21 N 0.25 -0.34 0.00 3.56 1.57 -0.81 2.60 116.57 123.39 1ubc h LYS 21 Ca 0.61 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.41 1ubc h LYS 21 Cb 1.27 0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.66 1ubc h LYS 21 CO -0.64 -0.23 -0.53 -0.91 -0.57 0.00 0.00 179.45 176.57 1ubc h ASN 22 N -0.36 0.00 -0.03 0.86 4.21 -0.32 -3.36 115.58 116.58 1ubc h ASN 22 Ca 0.11 -0.04 0.00 0.00 1.21 0.00 0.00 56.30 57.58 1ubc h ASN 22 Cb 0.53 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.73 1ubc h ASN 22 CO -0.37 0.02 0.00 0.49 -1.29 0.00 0.00 177.43 176.28 1ubc n PHE 23 N -2.67 0.04 -0.82 1.19 3.72 0.18 -5.10 117.46 114.01 1ubc n PHE 23 Ca 0.02 -0.56 0.00 0.00 -0.05 0.00 0.00 57.45 56.87 1ubc n PHE 23 Cb 0.51 -0.06 0.00 0.00 -0.94 0.00 0.00 39.48 38.99 1ubc n PHE 23 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ubc n GLY 24 N -0.52 -2.23 0.07 1.37 0.00 0.87 -4.56 105.19 100.20 1ubc n GLY 24 Ca 0.03 -1.91 -0.14 0.00 0.00 0.00 0.00 46.02 44.00 1ubc n GLY 24 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ubc h LYS 25 N 0.00 0.00 0.00 1.61 1.79 -1.91 -3.30 116.57 114.76 1ubc h LYS 25 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1ubc h LYS 25 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1ubc h LYS 25 CO 0.00 0.93 0.00 0.41 -1.08 0.00 0.00 179.45 179.71 1ubc n GLY 26 N 1.60 -0.71 0.28 3.86 0.00 -1.23 -4.14 105.19 104.85 1ubc n GLY 26 Ca -0.12 -0.12 0.01 0.00 0.00 0.00 0.00 46.02 45.80 1ubc n GLY 26 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1ubc h SER 27 N 0.00 -0.72 -3.25 1.61 0.02 -1.80 -3.38 113.55 106.02 1ubc h SER 27 Ca 0.00 0.23 -0.48 0.00 -0.84 0.00 0.00 61.79 60.70 1ubc h SER 27 Cb 0.00 0.47 -0.39 0.00 0.14 0.00 0.00 62.40 62.63 1ubc h SER 27 CO 0.00 -0.25 -0.77 -0.69 -1.14 0.00 0.00 176.83 173.98 1ubc s VAL 28 N -6.23 0.48 0.42 2.27 1.01 -1.26 -5.02 120.40 112.07 1ubc s VAL 28 Ca -0.15 -0.19 0.03 0.00 0.00 0.00 0.00 61.98 61.68 1ubc s VAL 28 Cb 0.22 -0.78 -0.03 0.00 0.00 0.00 0.00 36.38 35.79 1ubc s VAL 28 CO 0.75 0.07 0.07 -0.04 0.00 0.00 0.00 175.10 175.95 1ubc s MET 29 N 1.91 1.96 -0.04 2.72 1.00 -1.26 -5.01 119.30 120.58 1ubc s MET 29 Ca 0.03 -2.20 0.03 0.00 0.00 0.00 0.00 55.69 53.55 1ubc s MET 29 Cb -0.14 -0.98 0.00 0.00 0.00 0.00 0.00 34.83 33.71 1ubc s MET 29 CO -0.07 -0.37 -0.13 1.03 0.00 0.00 0.00 175.02 175.48 1ubc s ARG 30 N -3.79 1.42 0.00 2.03 0.52 -1.26 -4.99 118.95 112.88 1ubc s ARG 30 Ca 0.21 -0.46 0.00 0.00 -0.52 0.00 0.00 55.73 54.96 1ubc s ARG 30 Cb 0.04 -1.26 0.00 0.00 0.52 0.00 0.00 34.95 34.25 1ubc s ARG 30 CO 0.12 0.17 0.16 1.28 0.02 0.00 0.00 175.30 177.05 1ubc n LEU 31 N 3.27 0.46 0.00 2.53 4.77 -1.26 -1.20 117.00 125.57 1ubc n LEU 31 Ca -0.19 -0.23 0.00 0.00 -0.03 0.00 0.00 56.01 55.56 1ubc n LEU 31 Cb 0.53 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 1ubc n LEU 31 CO 0.25 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 1ubc n GLY 32 N 0.77 0.18 3.77 -0.72 0.00 -1.26 -5.10 105.19 102.83 1ubc n GLY 32 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1ubc n GLY 32 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ubc s GLU 33 N 0.00 4.19 -0.02 1.61 4.04 -0.34 -4.91 118.70 123.27 1ubc s GLU 33 Ca 0.00 2.46 0.19 0.00 0.04 0.00 0.00 54.97 57.66 1ubc s GLU 33 Cb 0.00 -3.01 0.58 0.00 0.02 0.00 0.00 34.13 31.73 1ubc s GLU 33 CO 0.00 -0.43 1.49 0.39 -1.84 0.00 0.00 175.26 174.87 1ubc n GLU 34 N 0.70 2.91 -0.43 -4.83 -0.58 -1.26 -4.68 120.64 112.47 1ubc n GLU 34 Ca 0.01 -2.57 -0.01 0.00 -0.42 0.00 0.00 57.16 54.18 1ubc n GLU 34 Cb 0.40 -1.55 0.00 0.00 -0.57 0.00 0.00 31.44 29.72 1ubc n GLU 34 CO 0.00 0.00 0.00 1.55 -0.48 0.00 0.00 177.13 178.20 1ubc n VAL 35 N 1.29 0.00 0.00 2.62 3.14 -1.26 -4.97 118.33 119.15 1ubc n VAL 35 Ca 0.22 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.60 1ubc n VAL 35 Cb 0.62 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.40 1ubc n VAL 35 CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 1ubc n ARG 36 N 1.15 0.00 0.00 1.45 0.63 -1.26 -5.03 116.66 113.61 1ubc n ARG 36 Ca -0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1ubc n ARG 36 Cb 0.01 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.92 1ubc n ARG 36 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 1ubc n GLN 37 N 0.00 0.00 -3.18 -0.14 -0.06 -1.26 -4.98 117.38 107.75 1ubc n GLN 37 Ca 0.00 0.00 -0.34 0.00 -2.00 0.00 0.00 57.00 54.66 1ubc n GLN 37 Cb 0.00 0.00 -0.06 0.00 -4.06 0.00 0.00 30.24 26.12 1ubc n GLN 37 CO 0.00 0.00 0.00 -1.25 -0.20 0.00 0.00 177.06 175.61 1ubc s PRO 38 N 0.00 4.07 0.00 3.69 0.04 -1.26 -4.92 135.00 136.63 1ubc s PRO 38 Ca 0.00 0.68 0.03 0.00 0.04 0.00 0.00 61.00 61.75 1ubc s PRO 38 Cb 0.00 -2.70 0.16 0.00 0.04 0.00 0.00 34.50 32.00 1ubc s PRO 38 CO 0.00 0.31 0.85 0.44 0.04 0.00 0.00 177.00 178.65 1ubc n ILE 39 N 0.26 0.00 -4.34 0.56 -6.64 -1.26 -4.63 119.36 103.32 1ubc n ILE 39 Ca -0.00 0.00 -0.20 0.00 -1.77 0.00 0.00 62.75 60.78 1ubc n ILE 39 Cb 0.52 -0.19 -0.15 0.00 -1.44 0.00 0.00 39.64 38.38 1ubc n ILE 39 CO 0.00 0.00 0.00 -0.94 -1.77 0.00 0.00 176.55 173.84 1ubc s SER 40 N -1.35 1.11 0.00 7.28 1.04 -1.26 -5.13 113.70 115.40 1ubc s SER 40 Ca 0.04 -0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.30 1ubc s SER 40 Cb 0.02 -0.32 0.00 0.00 0.10 0.00 0.00 66.02 65.82 1ubc s SER 40 CO 0.03 0.05 0.00 0.55 0.98 0.00 0.00 173.24 174.85 1ubc n VAL 41 N 3.37 0.00 -4.07 5.02 3.14 -1.25 -4.40 118.33 120.14 1ubc n VAL 41 Ca -0.19 0.00 -0.35 0.00 -2.96 0.00 0.00 64.34 60.84 1ubc n VAL 41 Cb 0.54 0.00 -0.13 0.00 -1.06 0.00 0.00 33.84 33.19 1ubc n VAL 41 CO 0.00 0.00 0.00 -0.63 -6.46 0.00 0.00 176.83 169.74 1ubc s ILE 42 N -2.00 3.89 0.19 1.55 1.01 0.33 -4.70 121.20 121.46 1ubc s ILE 42 Ca 0.00 -0.33 -0.32 0.00 0.00 0.00 0.00 60.65 59.99 1ubc s ILE 42 Cb 0.00 -2.76 -0.12 0.00 0.01 0.00 0.00 42.46 39.59 1ubc s ILE 42 CO 0.00 0.43 1.72 -2.65 0.00 0.00 0.00 174.94 174.44 1ubc n PRO 43 N 4.28 2.67 -0.28 2.79 -0.02 -1.26 -0.41 135.00 142.78 1ubc n PRO 43 Ca -0.17 0.97 -0.06 0.00 -2.02 0.00 0.00 63.50 62.21 1ubc n PRO 43 Cb 0.52 -2.81 0.06 0.00 -0.02 0.00 0.00 33.50 31.25 1ubc n PRO 43 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 1ubc h THR 44 N 3.90 1.26 0.00 3.45 1.35 -1.93 -3.42 112.91 117.52 1ubc h THR 44 Ca -0.44 -0.83 0.00 0.00 -0.55 0.00 0.00 66.41 64.59 1ubc h THR 44 Cb 1.21 0.36 0.00 0.00 -1.73 0.00 0.00 68.15 68.00 1ubc h THR 44 CO 0.94 0.34 0.00 0.61 -0.25 0.00 0.00 175.52 177.16 1ubc n GLY 45 N -0.85 0.97 2.57 5.82 0.00 -1.26 -4.21 105.19 108.23 1ubc n GLY 45 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 1ubc n GLY 45 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ubc s SER 46 N -0.89 3.45 0.20 1.61 0.15 -1.26 -4.65 113.70 112.32 1ubc s SER 46 Ca 0.00 -1.25 -0.19 0.00 0.70 0.00 0.00 55.95 55.22 1ubc s SER 46 Cb 0.00 -0.39 0.17 0.00 -1.71 0.00 0.00 66.02 64.08 1ubc s SER 46 CO 0.00 -0.43 1.44 0.00 1.20 0.00 0.00 173.24 175.45 1ubc n ILE 47 N 5.21 -0.52 -0.19 6.45 0.13 -1.26 0.12 119.36 129.31 1ubc n ILE 47 Ca -0.06 2.19 -0.01 0.00 -1.10 0.00 0.00 62.75 63.77 1ubc n ILE 47 Cb 0.43 -2.85 0.02 0.00 -0.84 0.00 0.00 39.64 36.39 1ubc n ILE 47 CO 0.00 0.00 0.00 -0.24 2.80 0.00 0.00 176.55 179.11 1ubc n SER 48 N -5.33 -0.33 0.10 9.51 2.88 -1.26 0.22 113.62 119.41 1ubc n SER 48 Ca 0.08 0.85 -0.20 0.00 -1.33 0.00 0.00 58.87 58.28 1ubc n SER 48 Cb 0.35 -0.19 -0.12 0.00 -0.75 0.00 0.00 64.21 63.49 1ubc n SER 48 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1ubc h LEU 49 N 0.00 0.71 -0.49 2.46 5.85 -0.66 -2.22 115.31 120.96 1ubc h LEU 49 Ca 0.16 -0.68 0.08 0.00 0.84 0.00 0.00 57.88 58.29 1ubc h LEU 49 Cb 0.29 -0.23 -0.07 0.00 0.37 0.00 0.00 40.66 41.02 1ubc h LEU 49 CO -0.48 1.50 0.10 0.44 -0.34 0.00 0.00 178.44 179.67 1ubc h ASP 50 N 0.20 0.02 -0.47 1.25 3.32 0.51 0.13 116.42 121.38 1ubc h ASP 50 Ca -0.17 0.09 -0.07 0.00 0.02 0.00 0.00 57.03 56.89 1ubc h ASP 50 Cb 1.92 0.11 -0.02 0.00 0.22 0.00 0.00 39.33 41.56 1ubc h ASP 50 CO 0.22 0.04 0.01 -0.37 -1.72 0.00 0.00 179.24 177.42 1ubc h VAL 51 N 0.24 1.26 -0.88 -1.35 -1.51 0.72 -1.56 116.25 113.18 1ubc h VAL 51 Ca 0.25 -1.05 0.19 0.00 -1.23 0.00 0.00 66.70 64.86 1ubc h VAL 51 Cb 0.32 1.01 -0.16 0.00 -2.13 0.00 0.00 31.29 30.33 1ubc h VAL 51 CO -0.31 0.36 -0.14 0.00 -1.23 0.00 0.00 177.57 176.25 1ubc h ALA 52 N 0.92 0.72 0.00 5.19 0.00 -0.22 2.97 119.26 128.84 1ubc h ALA 52 Ca 0.13 0.33 0.00 0.00 0.00 0.00 0.00 54.91 55.37 1ubc h ALA 52 Cb 0.49 0.62 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1ubc h ALA 52 CO 0.02 -0.43 0.00 1.28 0.00 0.00 0.00 179.25 180.12 1ubc n LEU 53 N -5.52 0.00 0.00 0.00 4.77 0.22 -4.77 117.00 111.71 1ubc n LEU 53 Ca 0.15 0.46 0.00 0.00 -0.03 0.00 0.00 56.01 56.59 1ubc n LEU 53 Cb 0.51 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1ubc n LEU 53 CO -0.05 -0.35 0.00 0.61 -1.33 0.00 0.00 177.39 176.28 1ubc n GLY 54 N -0.76 1.29 0.06 -0.72 0.00 0.99 -4.45 105.19 101.60 1ubc n GLY 54 Ca 0.02 -0.01 0.11 0.00 0.00 0.00 0.00 46.02 46.13 1ubc n GLY 54 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1ubc n ILE 55 N 0.00 0.74 -1.61 -0.61 -5.35 -1.26 -4.86 119.36 106.40 1ubc n ILE 55 Ca 0.00 0.13 0.00 0.00 -0.27 0.00 0.00 62.75 62.61 1ubc n ILE 55 Cb 0.00 -0.93 0.00 0.00 -1.74 0.00 0.00 39.64 36.97 1ubc n ILE 55 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ubc n GLY 56 N 0.40 0.95 0.00 3.28 0.00 -0.63 -4.87 105.19 104.31 1ubc n GLY 56 Ca 0.04 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.55 1ubc n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ubc n GLY 57 N -0.52 0.64 3.75 -0.02 0.00 -1.15 -4.34 105.19 103.55 1ubc n GLY 57 Ca 0.00 -1.80 -0.39 0.00 0.00 0.00 0.00 46.02 43.83 1ubc n GLY 57 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ubc s LEU 58 N 0.00 4.41 -0.55 0.99 1.43 0.45 -4.61 118.68 120.80 1ubc s LEU 58 Ca 0.00 1.29 -0.27 0.00 -1.03 0.00 0.00 54.13 54.12 1ubc s LEU 58 Cb 0.00 -3.09 -0.01 0.00 0.03 0.00 0.00 46.19 43.11 1ubc s LEU 58 CO 0.00 0.02 1.76 -2.16 0.23 0.00 0.00 176.35 176.20 1ubc s PRO 59 N 0.07 2.89 1.04 1.29 0.04 -1.26 -0.52 135.00 138.55 1ubc s PRO 59 Ca 0.36 0.73 -0.14 0.00 0.04 0.00 0.00 61.00 61.98 1ubc s PRO 59 Cb -0.19 -4.30 0.13 0.00 0.04 0.00 0.00 34.50 30.18 1ubc s PRO 59 CO 0.20 -2.42 0.54 0.54 0.04 0.00 0.00 177.00 175.90 1ubc n ARG 60 N 8.95 -1.17 0.00 4.56 1.74 -1.26 -1.99 116.66 127.49 1ubc n ARG 60 Ca 0.19 -0.30 0.00 0.00 -0.77 0.00 0.00 57.85 56.97 1ubc n ARG 60 Cb 0.50 -1.96 0.00 0.00 -1.02 0.00 0.00 32.46 29.98 1ubc n ARG 60 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ubc n GLY 61 N 1.35 1.68 3.89 -0.13 0.00 -1.24 -4.90 105.19 105.84 1ubc n GLY 61 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 1ubc n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ubc s ARG 62 N 0.00 3.34 -0.46 1.61 1.81 -0.84 -3.86 118.95 120.55 1ubc s ARG 62 Ca 0.00 -0.48 -0.20 0.00 -1.72 0.00 0.00 55.73 53.33 1ubc s ARG 62 Cb 0.00 -2.99 0.03 0.00 -0.45 0.00 0.00 34.95 31.54 1ubc s ARG 62 CO 0.00 0.61 0.65 0.54 -0.68 0.00 0.00 175.30 176.41 1ubc s VAL 63 N -1.48 4.82 0.21 3.52 0.11 -1.26 -2.99 120.40 123.33 1ubc s VAL 63 Ca 0.34 -0.03 0.02 0.00 -2.93 0.00 0.00 61.98 59.38 1ubc s VAL 63 Cb -0.13 -4.24 -0.03 0.00 -1.53 0.00 0.00 36.38 30.45 1ubc s VAL 63 CO 0.26 -0.67 0.36 -0.63 -3.33 0.00 0.00 175.10 171.10 1ubc s ILE 64 N 2.82 5.26 -0.02 7.04 1.09 -0.13 -1.68 121.20 135.57 1ubc s ILE 64 Ca 0.21 -0.70 0.02 0.00 -1.10 0.00 0.00 60.65 59.08 1ubc s ILE 64 Cb -0.15 -3.79 0.01 0.00 -1.06 0.00 0.00 42.46 37.46 1ubc s ILE 64 CO 0.17 -0.24 -0.06 -0.70 -0.10 0.00 0.00 174.94 174.02 1ubc s GLU 65 N -3.62 0.65 -0.31 2.79 2.12 -0.56 -2.68 118.70 117.10 1ubc s GLU 65 Ca 0.36 -0.17 -0.00 0.00 0.36 0.00 0.00 54.97 55.51 1ubc s GLU 65 Cb -0.10 -0.65 0.10 0.00 0.26 0.00 0.00 34.13 33.74 1ubc s GLU 65 CO 0.30 0.04 0.09 0.42 -0.54 0.00 0.00 175.26 175.57 1ubc s ILE 66 N 0.31 1.04 0.10 -3.70 1.01 -1.04 0.21 121.20 119.13 1ubc s ILE 66 Ca -0.04 -1.51 0.02 0.00 0.00 0.00 0.00 60.65 59.13 1ubc s ILE 66 Cb -0.08 -1.78 -0.04 0.00 0.01 0.00 0.00 42.46 40.57 1ubc s ILE 66 CO -0.00 -0.67 0.15 -0.72 0.00 0.00 0.00 174.94 173.70 1ubc s TYR 67 N 1.54 3.32 -0.13 3.97 1.13 -0.63 -3.51 117.35 123.03 1ubc s TYR 67 Ca 0.10 0.12 -0.33 0.00 -1.41 0.00 0.00 57.07 55.55 1ubc s TYR 67 Cb -0.17 -1.65 0.13 0.00 -1.10 0.00 0.00 41.96 39.16 1ubc s TYR 67 CO -0.23 0.54 1.15 0.20 -2.51 0.00 0.00 175.55 174.70 1ubc s GLY 68 N -2.64 -0.33 0.40 5.49 0.00 -1.23 -0.95 107.32 108.06 1ubc s GLY 68 Ca 0.32 1.36 -0.24 0.00 0.00 0.00 0.00 44.72 46.16 1ubc s GLY 68 CO 0.25 0.44 1.03 -4.14 0.00 0.00 0.00 173.10 170.67 1ubc s PRO 69 N -2.57 4.18 -0.49 2.90 0.02 -1.25 -4.61 135.00 133.19 1ubc s PRO 69 Ca 0.09 1.44 -0.37 0.00 0.02 0.00 0.00 61.00 62.18 1ubc s PRO 69 Cb -0.00 -2.50 -0.15 0.00 0.02 0.00 0.00 34.50 31.87 1ubc s PRO 69 CO -0.05 -0.11 2.24 0.39 -0.33 0.00 0.00 177.00 179.14 1ubc n GLU 70 N -0.13 0.55 -0.97 5.54 1.02 -1.26 -2.09 120.64 123.30 1ubc n GLU 70 Ca 0.05 0.14 0.00 0.00 -0.02 0.00 0.00 57.16 57.33 1ubc n GLU 70 Cb 0.50 -2.05 0.00 0.00 -0.02 0.00 0.00 31.44 29.88 1ubc n GLU 70 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1ubc n SER 71 N 9.37 -1.03 -0.08 1.62 7.64 -1.26 -5.05 113.62 124.84 1ubc n SER 71 Ca 0.49 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 60.24 1ubc n SER 71 Cb 0.12 -0.26 -0.07 0.00 -1.01 0.00 0.00 64.21 63.00 1ubc n SER 71 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1ubc n SER 72 N -0.56 2.39 0.00 6.43 3.41 -0.89 -4.79 113.62 119.61 1ubc n SER 72 Ca 0.00 -0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 1ubc n SER 72 Cb 0.26 -0.31 0.00 0.00 -0.26 0.00 0.00 64.21 63.90 1ubc n SER 72 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ubc n GLY 73 N 2.55 -0.67 1.63 5.00 0.00 -1.26 -4.37 105.19 108.07 1ubc n GLY 73 Ca -0.29 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1ubc n GLY 73 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ubc n LYS 74 N 0.00 0.00 -0.24 1.61 5.02 -1.26 0.11 118.16 123.40 1ubc n LYS 74 Ca 0.00 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.41 1ubc n LYS 74 Cb 0.00 0.00 0.23 0.00 -0.02 0.00 0.00 35.03 35.24 1ubc n LYS 74 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1ubc n THR 75 N 0.00 -0.29 0.13 -0.18 -2.24 -1.26 0.11 114.28 110.55 1ubc n THR 75 Ca 0.00 1.52 -0.13 0.00 -2.27 0.00 0.00 64.05 63.17 1ubc n THR 75 Cb 0.00 -2.24 -0.06 0.00 -2.10 0.00 0.00 70.33 65.93 1ubc n THR 75 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1ubc h THR 76 N 0.00 0.53 0.05 4.28 2.02 0.39 0.76 112.91 120.94 1ubc h THR 76 Ca 0.44 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.64 1ubc h THR 76 Cb 0.95 0.53 -0.05 0.00 -1.74 0.00 0.00 68.15 67.84 1ubc h THR 76 CO -0.64 0.00 -0.50 0.58 0.37 0.00 0.00 175.52 175.33 1ubc h VAL 77 N -0.43 0.04 -0.49 3.16 2.07 -0.46 -0.80 116.25 119.35 1ubc h VAL 77 Ca 0.01 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.58 1ubc h VAL 77 Cb 0.42 0.04 -0.06 0.00 -1.52 0.00 0.00 31.29 30.18 1ubc h VAL 77 CO -0.08 0.00 -0.32 0.00 0.02 0.00 0.00 177.57 177.18 1ubc h ALA 78 N -0.35 -0.36 -0.19 1.67 0.00 -0.22 0.82 119.26 120.63 1ubc h ALA 78 Ca 0.02 0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.03 1ubc h ALA 78 Cb 0.72 1.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.66 1ubc h ALA 78 CO -0.32 -0.57 0.34 -0.07 0.00 0.00 0.00 179.25 178.64 1ubc h LEU 79 N -0.04 0.00 0.05 0.00 3.38 0.86 0.65 115.31 120.20 1ubc h LEU 79 Ca 0.08 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 1ubc h LEU 79 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1ubc h LEU 79 CO -0.48 0.00 -0.03 0.45 0.09 0.00 0.00 178.44 178.47 1ubc h HIS 80 N 0.00 -0.07 -0.80 1.13 3.86 0.20 -1.32 115.15 118.16 1ubc h HIS 80 Ca 0.09 -0.00 0.16 0.00 -1.16 0.00 0.00 60.37 59.46 1ubc h HIS 80 Cb 0.78 0.02 -0.15 0.00 1.06 0.00 0.00 27.41 29.12 1ubc h HIS 80 CO 0.00 0.54 -0.21 0.00 0.86 0.00 0.00 177.93 179.13 1ubc h ALA 81 N 0.02 0.51 0.00 2.45 0.00 0.28 0.67 119.26 123.19 1ubc h ALA 81 Ca -0.01 0.31 -0.04 0.00 0.00 0.00 0.00 54.91 55.17 1ubc h ALA 81 Cb 0.64 0.62 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1ubc h ALA 81 CO 0.01 -0.41 -0.21 0.28 0.00 0.00 0.00 179.25 178.92 1ubc h VAL 82 N -0.00 0.96 0.17 0.00 2.07 -1.03 -1.52 116.25 116.90 1ubc h VAL 82 Ca 0.38 -0.77 -0.30 0.00 0.82 0.00 0.00 66.70 66.82 1ubc h VAL 82 Cb 0.58 1.44 0.02 0.00 -1.52 0.00 0.00 31.29 31.82 1ubc h VAL 82 CO -0.82 0.21 -1.33 0.00 0.02 0.00 0.00 177.57 175.65 1ubc h ALA 83 N 1.79 -0.01 0.00 1.67 0.00 0.14 -2.40 119.26 120.46 1ubc h ALA 83 Ca -0.00 -0.85 -0.10 0.00 0.00 0.00 0.00 54.91 53.96 1ubc h ALA 83 Cb 0.42 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1ubc h ALA 83 CO 0.03 0.82 -0.46 -0.91 0.00 0.00 0.00 179.25 178.73 1ubc h ASN 84 N 0.14 0.00 -0.10 0.00 2.35 -0.70 -1.06 115.58 116.20 1ubc h ASN 84 Ca -0.19 0.00 -0.22 0.00 -0.55 0.00 0.00 56.30 55.34 1ubc h ASN 84 Cb 2.03 0.00 0.01 0.00 0.05 0.00 0.00 38.32 40.41 1ubc h ASN 84 CO 0.24 0.46 -0.80 0.00 -1.65 0.00 0.00 177.43 175.67 1ubc h ALA 85 N 1.54 0.32 0.93 -0.83 0.00 -1.34 -3.34 119.26 116.55 1ubc h ALA 85 Ca -0.00 -0.61 -0.05 0.00 0.00 0.00 0.00 54.91 54.25 1ubc h ALA 85 Cb 1.25 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.03 1ubc h ALA 85 CO 0.06 0.69 -0.47 0.37 0.00 0.00 0.00 179.25 179.91 1ubc h GLN 86 N 0.51 -1.23 0.00 0.00 4.15 -1.20 -2.69 115.11 114.65 1ubc h GLN 86 Ca -0.06 0.08 0.00 0.00 0.77 0.00 0.00 58.65 59.45 1ubc h GLN 86 Cb 1.43 0.28 0.00 0.00 0.21 0.00 0.00 27.48 29.40 1ubc h GLN 86 CO 0.16 -0.82 0.00 0.00 -1.93 0.00 0.00 178.83 176.24 1ubc n ALA 87 N -2.65 1.30 -0.28 3.38 0.00 -0.42 -0.31 120.51 121.53 1ubc n ALA 87 Ca -0.16 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.32 1ubc n ALA 87 Cb 0.51 -0.87 0.11 0.00 0.00 0.00 0.00 19.45 19.20 1ubc n ALA 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ubc n ALA 88 N -0.53 2.21 0.00 0.00 0.00 -1.01 -5.00 120.51 116.18 1ubc n ALA 88 Ca 0.00 -1.35 0.00 0.00 0.00 0.00 0.00 53.44 52.09 1ubc n ALA 88 Cb 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 19.45 19.15 1ubc n ALA 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ubc n GLY 89 N -0.13 2.86 3.86 0.00 0.00 0.58 -5.05 105.19 107.31 1ubc n GLY 89 Ca 0.09 -0.06 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 1ubc n GLY 89 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ubc s GLY 90 N -2.15 1.86 0.16 -0.02 0.00 -1.25 -5.04 107.32 100.88 1ubc s GLY 90 Ca 0.00 -0.01 0.08 0.00 0.00 0.00 0.00 44.72 44.79 1ubc s GLY 90 CO 0.00 0.25 -0.07 -0.42 0.00 0.00 0.00 173.10 172.86 1ubc s ILE 91 N -2.82 3.40 0.07 0.90 1.01 -1.26 -3.98 121.20 118.51 1ubc s ILE 91 Ca 0.56 -1.49 0.03 0.00 0.00 0.00 0.00 60.65 59.75 1ubc s ILE 91 Cb -0.10 -2.67 -0.04 0.00 0.01 0.00 0.00 42.46 39.66 1ubc s ILE 91 CO 0.41 -0.06 0.07 0.00 0.00 0.00 0.00 174.94 175.37 1ubc s ALA 92 N -1.59 3.54 -0.07 9.38 0.00 -1.26 -2.07 121.76 129.69 1ubc s ALA 92 Ca 0.25 -1.00 0.04 0.00 0.00 0.00 0.00 51.96 51.24 1ubc s ALA 92 Cb -0.09 -1.43 -0.02 0.00 0.00 0.00 0.00 23.12 21.58 1ubc s ALA 92 CO 0.16 0.74 -0.17 0.00 0.00 0.00 0.00 175.76 176.49 1ubc s ALA 93 N -1.35 2.54 -0.22 0.00 0.00 -0.29 -1.61 121.76 120.82 1ubc s ALA 93 Ca 0.28 -0.98 0.02 0.00 0.00 0.00 0.00 51.96 51.28 1ubc s ALA 93 Cb -0.12 -0.94 0.04 0.00 0.00 0.00 0.00 23.12 22.10 1ubc s ALA 93 CO 0.21 0.47 -0.15 0.12 0.00 0.00 0.00 175.76 176.41 1ubc s PHE 94 N -0.41 3.01 -0.62 0.00 5.36 0.75 0.05 117.98 126.11 1ubc s PHE 94 Ca 0.04 -1.99 -0.21 0.00 -0.96 0.00 0.00 56.93 53.81 1ubc s PHE 94 Cb -0.12 -1.91 0.08 0.00 -0.34 0.00 0.00 43.02 40.74 1ubc s PHE 94 CO 0.02 -0.84 0.84 0.42 -1.46 0.00 0.00 175.22 174.19 1ubc s ILE 95 N 1.20 4.57 -0.20 3.12 1.09 -0.40 -1.20 121.20 129.38 1ubc s ILE 95 Ca -0.03 -0.62 -0.23 0.00 -1.10 0.00 0.00 60.65 58.68 1ubc s ILE 95 Cb -0.17 -4.58 -0.02 0.00 -1.06 0.00 0.00 42.46 36.64 1ubc s ILE 95 CO -0.09 -1.28 0.72 -0.62 -0.10 0.00 0.00 174.94 173.58 1ubc s ASP 96 N 3.59 6.77 0.00 3.58 2.15 0.13 -1.72 116.67 131.17 1ubc s ASP 96 Ca 0.17 0.95 0.00 0.00 0.43 0.00 0.00 52.55 54.10 1ubc s ASP 96 Cb -0.20 -2.39 0.00 0.00 -0.30 0.00 0.00 42.92 40.03 1ubc s ASP 96 CO 0.09 -0.36 0.00 0.00 -0.17 0.00 0.00 175.17 174.73 1ubc n ALA 97 N 5.31 1.47 0.35 3.66 0.00 -1.24 -3.89 120.51 126.17 1ubc n ALA 97 Ca 0.01 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.57 1ubc n ALA 97 Cb 0.49 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.88 1ubc n ALA 97 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1ubc n GLU 98 N -0.90 0.43 -3.35 0.00 -0.58 -1.25 -4.95 120.64 110.03 1ubc n GLU 98 Ca 0.00 -0.04 -0.24 0.00 -0.42 0.00 0.00 57.16 56.45 1ubc n GLU 98 Cb 0.00 -1.60 0.01 0.00 -0.57 0.00 0.00 31.44 29.28 1ubc n GLU 98 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 1ubc n HIS 99 N -2.14 -1.95 -3.50 -0.32 8.25 -1.26 -4.93 115.22 109.38 1ubc n HIS 99 Ca -0.00 0.57 -0.24 0.00 -0.26 0.00 0.00 57.72 57.79 1ubc n HIS 99 Cb 0.49 -3.64 -0.13 0.00 1.12 0.00 0.00 29.99 27.83 1ubc n HIS 99 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ubc s ALA 100 N -3.07 0.16 -0.10 -1.41 0.00 -1.26 -5.11 121.76 110.96 1ubc s ALA 100 Ca 0.42 -0.63 -0.12 0.00 0.00 0.00 0.00 51.96 51.62 1ubc s ALA 100 Cb -0.21 -1.48 0.03 0.00 0.00 0.00 0.00 23.12 21.46 1ubc s ALA 100 CO 0.51 -1.58 0.33 -1.17 0.00 0.00 0.00 175.76 173.86 1ubc s LEU 101 N 2.21 0.73 -0.59 0.00 2.96 -1.26 -5.11 118.68 117.63 1ubc s LEU 101 Ca 0.08 0.56 0.04 0.00 -0.22 0.00 0.00 54.13 54.59 1ubc s LEU 101 Cb -0.15 1.19 0.15 0.00 0.50 0.00 0.00 46.19 47.87 1ubc s LEU 101 CO -0.31 -0.18 0.35 -0.62 -1.32 0.00 0.00 176.35 174.27 1ubc s ASP 102 N -0.13 4.57 0.21 3.68 -1.08 -1.26 -4.96 116.67 117.71 1ubc s ASP 102 Ca -0.03 -3.25 -0.20 0.00 -0.52 0.00 0.00 52.55 48.55 1ubc s ASP 102 Cb -0.03 -1.66 0.17 0.00 -1.46 0.00 0.00 42.92 39.94 1ubc s ASP 102 CO 0.01 -0.20 1.55 -0.65 0.52 0.00 0.00 175.17 176.41 1ubc h PRO 103 N 6.23 -0.02 -0.23 4.34 0.11 -1.99 0.15 132.00 140.59 1ubc h PRO 103 Ca -0.01 0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.12 1ubc h PRO 103 Cb 0.86 0.01 -0.03 0.00 0.11 0.00 0.00 31.00 31.94 1ubc h PRO 103 CO 0.70 -0.02 -0.13 0.39 -0.21 0.00 0.00 178.00 178.73 1ubc n GLU 104 N -5.43 -0.10 -0.22 1.05 1.02 -1.26 0.22 120.64 115.91 1ubc n GLU 104 Ca 0.08 1.02 0.02 0.00 -0.02 0.00 0.00 57.16 58.26 1ubc n GLU 104 Cb 0.37 -1.52 0.10 0.00 -0.02 0.00 0.00 31.44 30.37 1ubc n GLU 104 CO 0.00 0.00 0.00 -0.92 1.18 0.00 0.00 177.13 177.39 1ubc h TYR 105 N 0.00 -0.18 0.04 -0.32 3.20 -1.25 0.23 116.97 118.70 1ubc h TYR 105 Ca 0.04 0.05 0.03 0.00 3.14 0.00 0.00 58.73 61.99 1ubc h TYR 105 Cb 0.09 0.18 -0.05 0.00 1.54 0.00 0.00 36.73 38.50 1ubc h TYR 105 CO -0.87 -0.24 -0.34 0.00 -1.64 0.00 0.00 178.16 175.08 1ubc h ALA 106 N 1.64 -0.53 -0.85 1.82 0.00 0.35 -0.73 119.26 120.96 1ubc h ALA 106 Ca 0.34 -0.03 0.20 0.00 0.00 0.00 0.00 54.91 55.42 1ubc h ALA 106 Cb 0.56 0.58 -0.12 0.00 0.00 0.00 0.00 17.79 18.80 1ubc h ALA 106 CO -0.63 -0.86 0.30 1.57 0.00 0.00 0.00 179.25 179.63 1ubc h LYS 107 N -0.52 0.33 0.00 0.00 5.09 0.56 0.63 116.57 122.65 1ubc h LYS 107 Ca 0.05 -0.02 -0.03 0.00 0.09 0.00 0.00 60.65 60.74 1ubc h LYS 107 Cb 0.58 -0.07 -0.00 0.00 0.10 0.00 0.00 32.23 32.83 1ubc h LYS 107 CO -0.25 0.22 -0.12 0.87 -2.09 0.00 0.00 179.45 178.08 1ubc h LYS 108 N 0.34 0.00 0.00 0.07 1.57 0.67 -0.27 116.57 118.94 1ubc h LYS 108 Ca 0.52 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 59.15 1ubc h LYS 108 Cb 0.96 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.25 1ubc h LYS 108 CO -0.54 0.12 -0.67 -0.07 -0.57 0.00 0.00 179.45 177.72 1ubc h LEU 109 N 0.00 0.00 0.00 2.94 3.38 0.15 -3.46 115.31 118.32 1ubc h LEU 109 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ubc h LEU 109 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1ubc h LEU 109 CO 0.02 0.67 0.00 0.61 0.09 0.00 0.00 178.44 179.83 1ubc n GLY 110 N 0.76 -0.55 3.73 0.83 0.00 -0.11 -4.98 105.19 104.87 1ubc n GLY 110 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1ubc n GLY 110 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ubc s VAL 111 N -0.42 2.36 -1.29 1.61 1.01 -0.60 -4.87 120.40 118.20 1ubc s VAL 111 Ca 0.00 0.28 -0.06 0.00 0.00 0.00 0.00 61.98 62.20 1ubc s VAL 111 Cb 0.00 -3.18 0.15 0.00 0.00 0.00 0.00 36.38 33.35 1ubc s VAL 111 CO 0.00 0.03 2.21 -0.67 0.00 0.00 0.00 175.10 176.67 1ubc n ASP 112 N 3.11 7.28 -0.24 3.32 2.03 -1.26 -4.00 116.55 126.78 1ubc n ASP 112 Ca 0.11 -3.17 0.11 0.00 0.52 0.00 0.00 54.79 52.36 1ubc n ASP 112 Cb 0.38 -1.38 0.22 0.00 -0.72 0.00 0.00 41.12 39.62 1ubc n ASP 112 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1ubc n THR 113 N 2.00 -0.29 -0.24 5.18 -2.24 -1.26 0.48 114.28 117.90 1ubc n THR 113 Ca 0.55 1.53 0.12 0.00 -2.27 0.00 0.00 64.05 63.98 1ubc n THR 113 Cb 0.28 -2.25 0.40 0.00 -2.10 0.00 0.00 70.33 66.66 1ubc n THR 113 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1ubc h ASP 114 N 0.00 0.61 -0.52 3.42 5.19 -2.02 -1.97 116.42 121.13 1ubc h ASP 114 Ca 0.43 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.88 1ubc h ASP 114 Cb 0.91 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 40.34 1ubc h ASP 114 CO -0.65 0.31 0.00 -1.54 -3.12 0.00 0.00 179.24 174.24 1ubc n SER 115 N -4.54 4.50 -4.62 6.45 3.41 0.18 -4.94 113.62 114.07 1ubc n SER 115 Ca 0.16 -2.57 -0.41 0.00 -0.26 0.00 0.00 58.87 55.79 1ubc n SER 115 Cb 0.46 -0.54 -0.06 0.00 -0.26 0.00 0.00 64.21 63.81 1ubc n SER 115 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1ubc s LEU 116 N -2.06 4.10 -0.31 1.04 0.20 -0.74 -4.69 118.68 116.22 1ubc s LEU 116 Ca 0.46 0.63 -0.28 0.00 0.69 0.00 0.00 54.13 55.64 1ubc s LEU 116 Cb 0.32 -2.93 0.01 0.00 -0.43 0.00 0.00 46.19 43.16 1ubc s LEU 116 CO 0.19 -0.48 1.02 -0.76 -0.29 0.00 0.00 176.35 176.03 1ubc s LEU 117 N 2.69 3.98 0.27 -0.68 1.43 -0.63 -4.92 118.68 120.81 1ubc s LEU 117 Ca 0.28 1.01 0.12 0.00 -1.03 0.00 0.00 54.13 54.51 1ubc s LEU 117 Cb -0.15 -3.46 -0.05 0.00 0.03 0.00 0.00 46.19 42.56 1ubc s LEU 117 CO 0.10 -0.81 -0.20 -0.69 0.23 0.00 0.00 176.35 174.98 1ubc s VAL 118 N 3.48 2.45 -0.30 -1.59 1.01 -1.26 0.27 120.40 124.46 1ubc s VAL 118 Ca 0.43 -2.39 -0.12 0.00 0.00 0.00 0.00 61.98 59.90 1ubc s VAL 118 Cb -0.13 -2.28 0.13 0.00 0.00 0.00 0.00 36.38 34.10 1ubc s VAL 118 CO 0.14 -0.39 0.75 -0.55 0.00 0.00 0.00 175.10 175.04 1ubc s SER 119 N -3.47 -0.97 -0.98 3.32 0.15 -0.34 -4.89 113.70 106.53 1ubc s SER 119 Ca 0.29 1.36 -0.03 0.00 0.70 0.00 0.00 55.95 58.27 1ubc s SER 119 Cb -0.05 2.00 0.28 0.00 -1.71 0.00 0.00 66.02 66.54 1ubc s SER 119 CO 0.14 -0.19 1.19 0.00 1.20 0.00 0.00 173.24 175.58 1ubc n GLN 120 N 5.12 3.72 -0.57 5.44 6.02 -1.26 0.20 117.38 136.05 1ubc n GLN 120 Ca -0.13 -4.55 0.00 0.00 -0.01 0.00 0.00 57.00 52.31 1ubc n GLN 120 Cb 0.51 -2.46 0.00 0.00 1.02 0.00 0.00 30.24 29.32 1ubc n GLN 120 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 1ubc n PRO 121 N 1.58 1.85 -0.03 -1.09 -0.02 -1.25 -4.99 135.00 131.05 1ubc n PRO 121 Ca 0.26 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.71 1ubc n PRO 121 Cb 0.36 -0.77 -0.04 0.00 -0.02 0.00 0.00 33.50 33.03 1ubc n PRO 121 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1ubc n ASP 122 N 2.30 3.57 -4.20 2.55 8.00 -1.26 -5.01 116.55 122.50 1ubc n ASP 122 Ca 0.00 -0.01 -0.12 0.00 0.71 0.00 0.00 54.79 55.38 1ubc n ASP 122 Cb 0.00 0.53 -0.10 0.00 -0.02 0.00 0.00 41.12 41.53 1ubc n ASP 122 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1ubc s THR 123 N -2.14 0.46 0.30 -3.53 -4.23 -1.26 -5.03 115.64 100.20 1ubc s THR 123 Ca -0.04 -1.95 0.02 0.00 -1.18 0.00 0.00 61.69 58.54 1ubc s THR 123 Cb 0.02 -2.05 0.13 0.00 1.34 0.00 0.00 72.50 71.94 1ubc s THR 123 CO 0.22 -0.51 1.81 1.23 -0.54 0.00 0.00 174.62 176.84 1ubc h GLY 124 N 2.78 0.67 1.79 3.99 0.00 0.26 -1.99 103.07 110.58 1ubc h GLY 124 Ca -0.36 -0.43 -0.02 0.00 0.00 0.00 0.00 47.33 46.52 1ubc h GLY 124 CO 0.62 0.40 0.03 0.83 0.00 0.00 0.00 176.54 178.42 1ubc h GLU 125 N 0.59 0.27 -0.06 4.80 5.08 -1.86 -3.17 114.58 120.23 1ubc h GLU 125 Ca 0.12 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.41 1ubc h GLU 125 Cb 0.41 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1ubc h GLU 125 CO 0.02 0.27 -0.11 0.37 -1.00 0.00 0.00 179.01 178.55 1ubc h GLN 126 N 0.27 0.19 0.18 2.33 4.15 -1.74 -3.26 115.11 117.24 1ubc h GLN 126 Ca 0.07 -0.12 0.01 0.00 0.77 0.00 0.00 58.65 59.37 1ubc h GLN 126 Cb 0.13 0.01 -0.04 0.00 0.21 0.00 0.00 27.48 27.80 1ubc h GLN 126 CO -0.00 0.70 -0.50 0.00 -1.93 0.00 0.00 178.83 177.09 1ubc h ALA 127 N 0.49 -1.01 -0.77 3.38 0.00 -1.49 -2.20 119.26 117.66 1ubc h ALA 127 Ca 0.00 -0.12 0.15 0.00 0.00 0.00 0.00 54.91 54.94 1ubc h ALA 127 Cb 0.69 0.85 -0.14 0.00 0.00 0.00 0.00 17.79 19.18 1ubc h ALA 127 CO 0.03 -1.12 -0.26 -0.07 0.00 0.00 0.00 179.25 177.83 1ubc h LEU 128 N -0.77 -0.93 -0.45 0.00 3.38 -1.69 0.63 115.31 115.48 1ubc h LEU 128 Ca -0.02 0.25 0.05 0.00 0.09 0.00 0.00 57.88 58.25 1ubc h LEU 128 Cb 0.75 0.55 -0.04 0.00 0.09 0.00 0.00 40.66 42.00 1ubc h LEU 128 CO -0.23 -0.28 0.20 -0.33 0.09 0.00 0.00 178.44 177.88 1ubc h GLU 129 N -0.04 0.38 0.35 1.13 4.39 -1.57 1.87 114.58 121.10 1ubc h GLU 129 Ca 0.34 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 60.01 1ubc h GLU 129 Cb 0.58 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.12 1ubc h GLU 129 CO -0.81 0.25 -0.40 0.82 -1.16 0.00 0.00 179.01 177.72 1ubc h ILE 130 N 0.39 0.00 -0.92 3.13 2.04 -0.08 0.37 117.51 122.44 1ubc h ILE 130 Ca 0.21 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.27 1ubc h ILE 130 Cb 0.16 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.17 1ubc h ILE 130 CO -0.18 0.00 0.60 0.00 0.00 0.00 0.00 178.15 178.58 1ubc h ALA 131 N -1.06 2.14 -0.20 1.87 0.00 0.10 0.41 119.26 122.53 1ubc h ALA 131 Ca -0.04 0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.70 1ubc h ALA 131 Cb 0.67 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1ubc h ALA 131 CO -0.07 -0.44 -0.63 0.22 0.00 0.00 0.00 179.25 178.33 1ubc h ASP 132 N 0.45 0.82 0.49 0.00 1.82 0.43 -0.93 116.42 119.50 1ubc h ASP 132 Ca 0.49 -0.47 -0.30 0.00 -0.39 0.00 0.00 57.03 56.35 1ubc h ASP 132 Cb 1.14 -0.24 0.00 0.00 0.68 0.00 0.00 39.33 40.92 1ubc h ASP 132 CO -0.20 1.24 -1.43 0.00 -1.61 0.00 0.00 179.24 177.24 1ubc h MET 133 N 0.53 0.30 -0.00 0.28 -0.00 0.59 -2.65 114.93 113.97 1ubc h MET 133 Ca -0.01 -0.50 -0.03 0.00 -0.00 0.00 0.00 59.70 59.16 1ubc h MET 133 Cb 1.22 0.19 -0.00 0.00 -0.00 0.00 0.00 31.60 33.01 1ubc h MET 133 CO 0.13 1.20 -0.12 1.25 -0.00 0.00 0.00 176.91 179.36 1ubc h LEU 134 N 0.08 0.00 0.00 -0.10 5.85 -0.25 -0.04 115.31 120.86 1ubc h LEU 134 Ca -0.21 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.48 1ubc h LEU 134 Cb 2.02 -0.00 -0.00 0.00 0.37 0.00 0.00 40.66 43.04 1ubc h LEU 134 CO 0.19 0.13 -0.42 1.62 -0.34 0.00 0.00 178.44 179.61 1ubc h VAL 135 N 0.00 0.19 0.00 1.05 3.04 -1.16 -3.29 116.25 116.08 1ubc h VAL 135 Ca -0.00 -1.29 0.00 0.00 -1.01 0.00 0.00 66.70 64.40 1ubc h VAL 135 Cb 0.22 1.96 0.00 0.00 -2.01 0.00 0.00 31.29 31.46 1ubc h VAL 135 CO 0.02 0.11 0.00 0.54 -1.01 0.00 0.00 177.57 177.22 1ubc n ARG 136 N -3.01 0.08 0.00 4.17 1.74 -0.04 -1.91 116.66 117.69 1ubc n ARG 136 Ca 0.02 0.19 0.14 0.00 -0.77 0.00 0.00 57.85 57.43 1ubc n ARG 136 Cb 0.59 -1.62 0.64 0.00 -1.02 0.00 0.00 32.46 31.06 1ubc n ARG 136 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1ubc n SER 137 N -1.76 0.63 -3.07 0.55 3.41 -1.14 -4.88 113.62 107.36 1ubc n SER 137 Ca 0.05 -0.86 -0.16 0.00 -0.26 0.00 0.00 58.87 57.63 1ubc n SER 137 Cb 0.29 -0.03 -0.03 0.00 -0.26 0.00 0.00 64.21 64.17 1ubc n SER 137 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ubc n GLY 138 N 1.21 -0.39 0.04 5.00 0.00 -0.80 -4.61 105.19 105.63 1ubc n GLY 138 Ca 0.17 0.03 0.03 0.00 0.00 0.00 0.00 46.02 46.25 1ubc n GLY 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ubc n ALA 139 N -2.78 2.33 -1.72 4.61 0.00 -1.26 -4.94 120.51 116.75 1ubc n ALA 139 Ca 0.05 -0.74 -0.30 0.00 0.00 0.00 0.00 53.44 52.45 1ubc n ALA 139 Cb 0.41 -0.50 0.07 0.00 0.00 0.00 0.00 19.45 19.42 1ubc n ALA 139 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ubc s LEU 140 N -4.74 2.77 0.05 0.00 2.01 -1.26 -4.36 118.68 113.15 1ubc s LEU 140 Ca -0.08 1.23 0.00 0.00 0.01 0.00 0.00 54.13 55.29 1ubc s LEU 140 Cb 0.10 -3.94 0.00 0.00 0.01 0.00 0.00 46.19 42.36 1ubc s LEU 140 CO 0.81 -1.64 0.00 0.47 1.01 0.00 0.00 176.35 177.01 1ubc n ASP 141 N -3.21 0.45 -4.08 2.29 9.92 -0.88 -4.70 116.55 116.35 1ubc n ASP 141 Ca 0.07 0.08 -0.29 0.00 -0.53 0.00 0.00 54.79 54.12 1ubc n ASP 141 Cb 0.57 -0.12 -0.17 0.00 -0.64 0.00 0.00 41.12 40.76 1ubc n ASP 141 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 1ubc s ILE 142 N -2.00 1.58 -0.03 0.53 1.10 -1.26 -0.93 121.20 120.19 1ubc s ILE 142 Ca 0.00 -0.70 0.07 0.00 -0.51 0.00 0.00 60.65 59.52 1ubc s ILE 142 Cb 0.00 -1.43 -0.02 0.00 0.15 0.00 0.00 42.46 41.16 1ubc s ILE 142 CO 0.00 0.46 -0.25 -0.51 -2.11 0.00 0.00 174.94 172.52 1ubc s ILE 143 N 0.90 2.08 -0.14 2.00 2.07 -0.92 -1.14 121.20 126.05 1ubc s ILE 143 Ca -0.08 -1.09 -0.04 0.00 -1.41 0.00 0.00 60.65 58.03 1ubc s ILE 143 Cb -0.15 -1.73 0.05 0.00 0.13 0.00 0.00 42.46 40.76 1ubc s ILE 143 CO -0.00 0.58 0.09 0.54 -1.91 0.00 0.00 174.94 174.24 1ubc s VAL 144 N -0.48 -0.12 0.05 4.00 0.11 0.11 -1.67 120.40 122.40 1ubc s VAL 144 Ca 0.06 0.02 -0.30 0.00 -2.93 0.00 0.00 61.98 58.82 1ubc s VAL 144 Cb -0.11 -0.46 -0.05 0.00 -1.53 0.00 0.00 36.38 34.24 1ubc s VAL 144 CO 0.00 -0.14 1.05 -0.63 -3.33 0.00 0.00 175.10 172.06 1ubc s ILE 145 N 2.17 4.48 -0.38 7.04 1.09 0.20 -1.27 121.20 134.53 1ubc s ILE 145 Ca 0.03 1.85 -0.04 0.00 -1.10 0.00 0.00 60.65 61.39 1ubc s ILE 145 Cb -0.15 -4.18 0.08 0.00 -1.06 0.00 0.00 42.46 37.16 1ubc s ILE 145 CO -0.08 0.18 0.16 -0.62 -0.10 0.00 0.00 174.94 174.48 1ubc s ASP 146 N 0.78 5.24 0.00 3.58 -1.08 -0.70 -2.36 116.67 122.13 1ubc s ASP 146 Ca 0.53 -1.69 0.00 0.00 -0.52 0.00 0.00 52.55 50.87 1ubc s ASP 146 Cb -0.25 -1.83 0.00 0.00 -1.46 0.00 0.00 42.92 39.38 1ubc s ASP 146 CO 0.29 -0.46 0.00 -1.20 0.52 0.00 0.00 175.17 174.32 1ubc n SER 147 N 4.67 -0.52 -0.21 -0.34 7.64 -1.24 -3.68 113.62 119.95 1ubc n SER 147 Ca -0.07 0.00 0.01 0.00 1.01 0.00 0.00 58.87 59.82 1ubc n SER 147 Cb 0.42 -0.26 0.09 0.00 -1.01 0.00 0.00 64.21 63.45 1ubc n SER 147 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1ubc h VAL 148 N 0.00 0.43 0.00 0.44 2.07 -1.31 0.18 116.25 118.07 1ubc h VAL 148 Ca 0.00 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1ubc h VAL 148 Cb 0.00 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.13 1ubc h VAL 148 CO 0.00 0.01 0.00 0.00 0.02 0.00 0.00 177.57 177.60 1ubc n ALA 149 N -2.91 1.87 -1.25 1.67 0.00 -1.26 -2.28 120.51 116.35 1ubc n ALA 149 Ca 0.09 -0.07 -0.15 0.00 0.00 0.00 0.00 53.44 53.31 1ubc n ALA 149 Cb 0.35 -1.27 0.21 0.00 0.00 0.00 0.00 19.45 18.74 1ubc n ALA 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ubc n ALA 150 N -1.35 5.00 -2.87 0.00 0.00 0.64 -4.67 120.51 117.27 1ubc n ALA 150 Ca 0.07 -2.85 -0.37 0.00 0.00 0.00 0.00 53.44 50.29 1ubc n ALA 150 Cb 0.15 -1.20 -0.01 0.00 0.00 0.00 0.00 19.45 18.39 1ubc n ALA 150 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ubc n LEU 151 N -0.95 6.15 -4.73 0.00 4.32 -0.97 -4.82 117.00 116.00 1ubc n LEU 151 Ca 0.48 -5.42 -0.41 0.00 -0.02 0.00 0.00 56.01 50.63 1ubc n LEU 151 Cb 1.43 -1.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.20 1ubc n LEU 151 CO 0.45 2.04 0.96 0.68 -1.22 0.00 0.00 177.39 180.30 1ubc s VAL 152 N -3.84 3.41 0.94 4.08 -7.23 -1.26 -4.36 120.40 112.15 1ubc s VAL 152 Ca 0.40 1.12 -0.12 0.00 -1.81 0.00 0.00 61.98 61.57 1ubc s VAL 152 Cb 0.17 -3.72 0.16 0.00 0.56 0.00 0.00 36.38 33.55 1ubc s VAL 152 CO -0.07 0.15 1.11 -2.84 -0.31 0.00 0.00 175.10 173.14 1ubc s PRO 153 N 0.18 0.88 0.20 4.82 0.02 -1.26 0.23 135.00 140.06 1ubc s PRO 153 Ca 0.57 0.49 -0.11 0.00 0.02 0.00 0.00 61.00 61.98 1ubc s PRO 153 Cb -0.35 -1.79 0.25 0.00 0.02 0.00 0.00 34.50 32.63 1ubc s PRO 153 CO 0.35 -2.42 1.73 0.00 -0.33 0.00 0.00 177.00 176.34 1ubc h ARG 154 N -1.67 0.33 0.00 5.54 2.47 -1.94 -2.71 114.38 116.40 1ubc h ARG 154 Ca -0.52 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.18 1ubc h ARG 154 Cb 1.32 -0.08 0.00 0.00 -1.65 0.00 0.00 29.97 29.56 1ubc h ARG 154 CO 0.59 0.22 0.00 0.00 0.56 0.00 0.00 179.97 181.34 1ubc n ALA 155 N -2.49 -0.24 -0.32 0.04 0.00 -1.26 -1.30 120.51 114.94 1ubc n ALA 155 Ca 0.08 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.72 1ubc n ALA 155 Cb 0.27 0.20 0.47 0.00 0.00 0.00 0.00 19.45 20.39 1ubc n ALA 155 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1ubc h GLU 156 N 0.00 0.46 0.00 0.00 4.81 -1.94 0.71 114.58 118.61 1ubc h GLU 156 Ca 0.00 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.14 1ubc h GLU 156 Cb 0.00 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 1ubc h GLU 156 CO 0.00 0.30 -0.28 0.97 -0.73 0.00 0.00 179.01 179.27 1ubc h ILE 157 N 0.47 0.64 0.04 2.32 2.10 -1.34 -3.50 117.51 118.25 1ubc h ILE 157 Ca 0.57 -1.33 -0.36 0.00 1.08 0.00 0.00 64.86 64.82 1ubc h ILE 157 Cb 1.32 1.88 -0.05 0.00 -1.09 0.00 0.00 36.82 38.89 1ubc h ILE 157 CO -0.30 0.28 -2.15 1.21 -1.08 0.00 0.00 178.15 176.11 1ubc n GLU 158 N -3.39 0.69 0.00 2.19 2.13 0.25 -5.10 120.64 117.40 1ubc n GLU 158 Ca 0.00 0.18 0.00 0.00 0.66 0.00 0.00 57.16 58.01 1ubc n GLU 158 Cb 0.49 -1.64 0.00 0.00 0.27 0.00 0.00 31.44 30.56 1ubc n GLU 158 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ubc n GLY 167 N 1.93 0.00 0.14 8.31 0.00 -1.26 -4.92 105.19 109.39 1ubc n GLY 167 Ca -0.33 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.62 1ubc n GLY 167 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ubc h LEU 168 N 0.00 -0.21 -0.06 0.99 3.38 -2.01 -3.38 115.31 114.02 1ubc h LEU 168 Ca 0.00 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 57.81 1ubc h LEU 168 Cb 0.00 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1ubc h LEU 168 CO 0.00 0.32 -0.11 1.56 0.09 0.00 0.00 178.44 180.30 1ubc h GLN 169 N -1.01 -0.09 -6.44 1.13 4.20 -1.96 -0.15 115.11 110.78 1ubc h GLN 169 Ca -0.03 0.01 -0.53 0.00 0.06 0.00 0.00 58.65 58.16 1ubc h GLN 169 Cb 0.37 0.02 0.02 0.00 0.30 0.00 0.00 27.48 28.19 1ubc h GLN 169 CO 0.04 -0.06 1.06 0.00 -0.67 0.00 0.00 178.83 179.20 1ubc s ALA 170 N -4.05 3.69 0.00 3.87 0.00 -1.26 0.09 121.76 124.10 1ubc s ALA 170 Ca -0.03 1.27 0.00 0.00 0.00 0.00 0.00 51.96 53.20 1ubc s ALA 170 Cb 0.02 -3.73 0.00 0.00 0.00 0.00 0.00 23.12 19.40 1ubc s ALA 170 CO 0.12 -1.20 0.00 -2.13 0.00 0.00 0.00 175.76 172.55 1ubc n ARG 171 N 5.91 0.00 -0.39 0.00 0.00 -1.23 -4.75 116.66 116.19 1ubc n ARG 171 Ca 0.17 0.00 -0.05 0.00 -0.00 0.00 0.00 57.85 57.97 1ubc n ARG 171 Cb 0.40 0.00 -0.01 0.00 0.00 0.00 0.00 32.46 32.85 1ubc n ARG 171 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 1ubc n LEU 172 N 0.00 -0.80 0.05 6.15 7.94 0.33 -0.39 117.00 130.28 1ubc n LEU 172 Ca 0.00 1.74 -0.12 0.00 -1.11 0.00 0.00 56.01 56.51 1ubc n LEU 172 Cb 0.00 -0.33 -0.08 0.00 0.53 0.00 0.00 43.42 43.54 1ubc n LEU 172 CO 0.00 -1.50 0.81 0.24 -1.11 0.00 0.00 177.39 175.82 1ubc h MET 173 N 0.00 -0.05 -0.10 1.96 2.86 -0.58 -3.20 114.93 115.82 1ubc h MET 173 Ca 0.27 0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.95 1ubc h MET 173 Cb 0.52 0.01 -0.06 0.00 0.06 0.00 0.00 31.60 32.13 1ubc h MET 173 CO -0.96 0.07 -0.50 0.77 1.06 0.00 0.00 176.91 177.34 1ubc h SER 174 N -0.15 -1.58 -0.30 1.22 0.02 -1.18 -0.55 113.55 111.02 1ubc h SER 174 Ca -0.01 0.19 0.03 0.00 -0.84 0.00 0.00 61.79 61.16 1ubc h SER 174 Cb 0.14 0.62 -0.04 0.00 0.14 0.00 0.00 62.40 63.26 1ubc h SER 174 CO 0.01 -0.48 -0.18 0.00 -1.14 0.00 0.00 176.83 175.05 1ubc n GLN 175 N -5.44 -0.13 -0.09 3.45 1.13 0.47 -0.88 117.38 115.88 1ubc n GLN 175 Ca -0.06 0.95 -0.09 0.00 -1.94 0.00 0.00 57.00 55.86 1ubc n GLN 175 Cb 0.38 -1.42 -0.02 0.00 0.11 0.00 0.00 30.24 29.29 1ubc n GLN 175 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ubc h ALA 176 N -0.36 0.40 -0.57 -1.58 0.00 -1.55 -1.97 119.26 113.64 1ubc h ALA 176 Ca 0.05 -0.07 0.09 0.00 0.00 0.00 0.00 54.91 54.98 1ubc h ALA 176 Cb 0.12 -0.12 -0.11 0.00 0.00 0.00 0.00 17.79 17.68 1ubc h ALA 176 CO -0.28 -0.08 -0.40 -0.07 0.00 0.00 0.00 179.25 178.42 1ubc h LEU 177 N 0.38 -1.38 -0.99 0.00 -0.00 0.43 4.26 115.31 118.02 1ubc h LEU 177 Ca 0.11 0.24 0.00 0.00 -0.00 0.00 0.00 57.88 58.23 1ubc h LEU 177 Cb 0.06 0.64 -0.05 0.00 -0.00 0.00 0.00 40.66 41.31 1ubc h LEU 177 CO -0.02 -0.33 0.63 -0.09 -0.00 0.00 0.00 178.44 178.63 1ubc h ARG 178 N -0.21 1.31 0.52 1.13 2.43 -0.89 0.37 114.38 119.05 1ubc h ARG 178 Ca 0.20 -0.10 -0.03 0.00 -0.81 0.00 0.00 59.98 59.24 1ubc h ARG 178 Cb 0.56 -0.29 0.01 0.00 -0.42 0.00 0.00 29.97 29.83 1ubc h ARG 178 CO -0.68 0.89 -0.25 -0.22 -1.51 0.00 0.00 179.97 178.20 1ubc h LYS 179 N 1.34 -0.67 0.00 0.20 3.64 0.71 -3.19 116.57 118.61 1ubc h LYS 179 Ca 0.36 0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.74 1ubc h LYS 179 Cb -0.12 0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 1ubc h LYS 179 CO -0.07 -0.40 -0.21 1.98 -2.27 0.00 0.00 179.45 178.48 1ubc h MET 180 N -1.12 0.00 -0.08 1.90 4.05 0.81 -2.96 114.93 117.52 1ubc h MET 180 Ca -0.07 0.00 0.02 0.00 -0.28 0.00 0.00 59.70 59.37 1ubc h MET 180 Cb 0.59 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.37 1ubc h MET 180 CO 0.12 0.21 -0.02 0.00 0.23 0.00 0.00 176.91 177.44 1ubc h THR 181 N 0.00 0.91 0.00 -0.77 1.03 -0.30 -1.75 112.91 112.03 1ubc h THR 181 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.40 1ubc h THR 181 Cb 0.44 0.91 0.00 0.00 -1.07 0.00 0.00 68.15 68.43 1ubc h THR 181 CO 0.03 0.00 0.00 0.61 -0.01 0.00 0.00 175.52 176.15 1ubc n GLY 182 N -1.14 -2.95 0.31 2.99 0.00 -1.12 -2.78 105.19 100.50 1ubc n GLY 182 Ca -0.05 0.37 -0.03 0.00 0.00 0.00 0.00 46.02 46.31 1ubc n GLY 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ubc h ALA 183 N -1.50 0.16 -1.01 4.61 0.00 -1.65 -1.26 119.26 118.62 1ubc h ALA 183 Ca 0.00 0.21 0.38 0.00 0.00 0.00 0.00 54.91 55.50 1ubc h ALA 183 Cb 0.00 0.67 -0.17 0.00 0.00 0.00 0.00 17.79 18.29 1ubc h ALA 183 CO 0.00 -0.57 0.56 -0.07 0.00 0.00 0.00 179.25 179.17 1ubc h LEU 184 N -0.10 0.40 -0.62 0.00 3.38 -1.20 2.20 115.31 119.36 1ubc h LEU 184 Ca 0.27 0.23 -0.15 0.00 0.09 0.00 0.00 57.88 58.33 1ubc h LEU 184 Cb 0.53 0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 1ubc h LEU 184 CO -0.68 -0.32 -0.67 0.78 0.09 0.00 0.00 178.44 177.64 1ubc h ASN 185 N 0.13 0.11 0.71 -0.43 -0.26 -1.05 -1.80 115.58 112.99 1ubc h ASN 185 Ca 0.81 -0.07 -0.26 0.00 -0.56 0.00 0.00 56.30 56.21 1ubc h ASN 185 Cb 2.03 -0.03 -0.02 0.00 -1.06 0.00 0.00 38.32 39.24 1ubc h ASN 185 CO -0.70 0.75 -1.28 0.78 -1.06 0.00 0.00 177.43 175.92 1ubc h ASN 186 N 0.07 0.21 0.60 5.81 -0.26 0.36 -3.36 115.58 119.00 1ubc h ASN 186 Ca -0.01 -0.25 -0.26 0.00 -0.56 0.00 0.00 56.30 55.22 1ubc h ASN 186 Cb 1.19 -0.07 -0.04 0.00 -1.06 0.00 0.00 38.32 38.34 1ubc h ASN 186 CO 0.09 1.20 -1.55 0.77 -1.06 0.00 0.00 177.43 176.88 1ubc h SER 187 N 0.04 0.00 0.00 5.81 4.64 -0.23 -3.48 113.55 120.32 1ubc h SER 187 Ca -0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 1ubc h SER 187 Cb 1.91 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.00 1ubc h SER 187 CO 0.15 0.95 0.00 0.61 -0.87 0.00 0.00 176.83 177.67 1ubc n GLY 188 N 1.50 0.68 3.76 -0.77 0.00 -0.69 -4.96 105.19 104.72 1ubc n GLY 188 Ca -0.13 -0.47 -0.37 0.00 0.00 0.00 0.00 46.02 45.05 1ubc n GLY 188 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ubc s THR 189 N -2.00 5.28 -0.12 2.61 2.01 -1.16 -3.95 115.64 118.32 1ubc s THR 189 Ca 0.00 0.57 -0.07 0.00 0.31 0.00 0.00 61.69 62.50 1ubc s THR 189 Cb 0.00 -3.63 -0.04 0.00 0.01 0.00 0.00 72.50 68.84 1ubc s THR 189 CO 0.00 0.43 0.14 0.28 -0.69 0.00 0.00 174.62 174.78 1ubc s THR 190 N 0.13 5.48 0.08 -0.82 -1.32 -0.11 -3.62 115.64 115.46 1ubc s THR 190 Ca 0.18 0.20 0.08 0.00 -1.21 0.00 0.00 61.69 60.93 1ubc s THR 190 Cb -0.13 -3.39 -0.04 0.00 -1.51 0.00 0.00 72.50 67.43 1ubc s THR 190 CO 0.05 0.61 -0.17 0.00 -2.21 0.00 0.00 174.62 172.90 1ubc s ALA 191 N -0.94 2.69 -0.01 11.08 0.00 -1.16 -2.17 121.76 131.25 1ubc s ALA 191 Ca 0.15 -1.26 0.08 0.00 0.00 0.00 0.00 51.96 50.92 1ubc s ALA 191 Cb -0.12 -0.73 -0.02 0.00 0.00 0.00 0.00 23.12 22.25 1ubc s ALA 191 CO 0.04 0.59 -0.25 0.42 0.00 0.00 0.00 175.76 176.56 1ubc s ILE 192 N -1.06 1.97 -0.20 0.00 1.01 -0.67 -0.96 121.20 121.30 1ubc s ILE 192 Ca 0.17 -1.11 -0.01 0.00 0.00 0.00 0.00 60.65 59.69 1ubc s ILE 192 Cb -0.11 -1.65 0.06 0.00 0.01 0.00 0.00 42.46 40.77 1ubc s ILE 192 CO 0.08 0.51 -0.00 -0.36 0.00 0.00 0.00 174.94 175.17 1ubc s PHE 193 N -0.62 1.49 0.44 3.97 0.40 -1.09 -0.63 117.98 121.94 1ubc s PHE 193 Ca 0.10 -1.12 -0.21 0.00 -0.60 0.00 0.00 56.93 55.10 1ubc s PHE 193 Cb -0.10 -1.21 -0.10 0.00 0.51 0.00 0.00 43.02 42.12 1ubc s PHE 193 CO -0.00 -0.65 0.97 0.42 0.70 0.00 0.00 175.22 176.66 1ubc s ILE 194 N 1.70 4.24 0.35 0.64 1.09 -0.99 -2.49 121.20 125.73 1ubc s ILE 194 Ca -0.02 1.40 -0.04 0.00 -1.10 0.00 0.00 60.65 60.90 1ubc s ILE 194 Cb -0.17 -3.57 0.02 0.00 -1.06 0.00 0.00 42.46 37.67 1ubc s ILE 194 CO -0.07 -0.29 0.52 -3.20 -0.10 0.00 0.00 174.94 171.80 1ubc n ASN 195 N -0.70 -1.47 0.01 3.58 5.15 -1.23 -0.86 115.26 119.73 1ubc n ASN 195 Ca 0.07 -2.80 0.00 0.00 -0.60 0.00 0.00 54.58 51.25 1ubc n ASN 195 Cb 0.54 2.68 0.00 0.00 -0.53 0.00 0.00 39.78 42.47 1ubc n ASN 195 CO 0.00 0.00 0.00 1.67 1.40 0.00 0.00 177.26 180.33 1ubc n GLN 196 N -0.56 0.00 0.00 1.20 -0.06 -1.26 -3.58 117.38 113.12 1ubc n GLN 196 Ca -0.01 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.99 1ubc n GLN 196 Cb 0.57 -0.31 0.00 0.00 -4.06 0.00 0.00 30.24 26.45 1ubc n GLN 196 CO 0.00 0.00 0.00 2.41 -0.20 0.00 0.00 177.06 179.27 1ubc n THR 212 N -2.89 0.00 0.45 1.69 -1.04 -1.26 -4.86 114.28 106.38 1ubc n THR 212 Ca 0.00 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.13 1ubc n THR 212 Cb 0.27 0.00 0.19 0.00 -1.82 0.00 0.00 70.33 68.97 1ubc n THR 212 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 1ubc h GLY 213 N 0.00 0.00 0.00 3.41 0.00 -1.96 -3.45 103.07 101.07 1ubc h GLY 213 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ubc h GLY 213 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1ubc n GLY 214 N 1.27 2.11 0.00 4.60 0.00 -1.26 -4.08 105.19 107.83 1ubc n GLY 214 Ca 0.03 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1ubc n GLY 214 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ubc n LYS 215 N 12.68 0.00 0.00 1.61 5.02 -1.26 -2.05 118.16 134.16 1ubc n LYS 215 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1ubc n LYS 215 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1ubc n LYS 215 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ubc n ALA 216 N 0.00 0.00 -0.39 7.82 0.00 -1.26 0.95 120.51 127.63 1ubc n ALA 216 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 1ubc n ALA 216 Cb 0.00 0.01 0.01 0.00 0.00 0.00 0.00 19.45 19.47 1ubc n ALA 216 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1ubc h LEU 217 N 0.00 -1.59 -0.75 0.00 5.85 -1.70 0.52 115.31 117.64 1ubc h LEU 217 Ca 0.00 0.31 0.25 0.00 0.84 0.00 0.00 57.88 59.29 1ubc h LEU 217 Cb 0.00 0.80 -0.14 0.00 0.37 0.00 0.00 40.66 41.69 1ubc h LEU 217 CO 0.00 -0.28 0.19 1.17 -0.34 0.00 0.00 178.44 179.18 1ubc n LYS 218 N -5.43 -0.05 -0.09 1.25 4.81 0.27 -1.39 118.16 117.53 1ubc n LYS 218 Ca 0.08 1.08 -0.18 0.00 -0.87 0.00 0.00 58.31 58.43 1ubc n LYS 218 Cb 0.37 -1.81 -0.13 0.00 0.02 0.00 0.00 35.03 33.48 1ubc n LYS 218 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 1ubc n PHE 219 N -4.88 0.34 -0.07 5.64 3.72 0.17 -4.52 117.46 117.86 1ubc n PHE 219 Ca 0.22 0.08 -0.11 0.00 -0.05 0.00 0.00 57.45 57.60 1ubc n PHE 219 Cb 0.75 -1.05 -0.04 0.00 -0.94 0.00 0.00 39.48 38.20 1ubc n PHE 219 CO 0.00 0.00 0.00 1.88 -0.05 0.00 0.00 176.76 178.59 1ubc h TYR 220 N 0.02 0.38 -2.30 1.38 0.05 -0.18 -3.43 116.97 112.88 1ubc h TYR 220 Ca -0.53 -0.04 -0.60 0.00 0.05 0.00 0.00 58.73 57.61 1ubc h TYR 220 Cb 1.97 -0.11 0.07 0.00 1.01 0.00 0.00 36.73 39.67 1ubc h TYR 220 CO 0.04 0.43 0.62 0.00 -1.05 0.00 0.00 178.16 178.20 1ubc n ALA 221 N -2.27 0.68 1.24 3.88 0.00 -0.48 -4.77 120.51 118.78 1ubc n ALA 221 Ca -0.03 0.45 0.13 0.00 0.00 0.00 0.00 53.44 53.98 1ubc n ALA 221 Cb 0.15 -2.24 0.30 0.00 0.00 0.00 0.00 19.45 17.66 1ubc n ALA 221 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1ubc n SER 222 N 2.65 2.25 -3.60 0.00 7.64 -0.67 -4.83 113.62 117.05 1ubc n SER 222 Ca 0.15 -1.74 -0.02 0.00 1.01 0.00 0.00 58.87 58.27 1ubc n SER 222 Cb 0.28 0.01 -0.05 0.00 -1.01 0.00 0.00 64.21 63.44 1ubc n SER 222 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1ubc s VAL 223 N -2.02 -0.68 -0.11 0.44 1.01 -1.25 -0.63 120.40 117.17 1ubc s VAL 223 Ca 0.32 0.00 0.03 0.00 0.00 0.00 0.00 61.98 62.33 1ubc s VAL 223 Cb 0.20 -1.00 0.01 0.00 0.00 0.00 0.00 36.38 35.59 1ubc s VAL 223 CO 0.32 0.00 -0.19 -0.13 0.00 0.00 0.00 175.10 175.11 1ubc s ARG 224 N 2.51 2.54 -0.14 2.72 0.52 0.59 -1.49 118.95 126.20 1ubc s ARG 224 Ca -0.06 -0.69 -0.06 0.00 -0.52 0.00 0.00 55.73 54.40 1ubc s ARG 224 Cb -0.09 -2.05 -0.04 0.00 0.52 0.00 0.00 34.95 33.28 1ubc s ARG 224 CO -0.19 0.02 0.09 -0.51 0.02 0.00 0.00 175.30 174.73 1ubc s LEU 225 N 0.75 4.06 -0.38 2.53 1.02 0.13 -3.04 118.68 123.76 1ubc s LEU 225 Ca -0.11 0.28 -0.07 0.00 0.02 0.00 0.00 54.13 54.25 1ubc s LEU 225 Cb -0.16 -1.99 0.06 0.00 0.02 0.00 0.00 46.19 44.12 1ubc s LEU 225 CO 0.01 0.32 0.17 -0.62 0.02 0.00 0.00 176.35 176.25 1ubc s ASP 226 N -0.48 5.42 -0.16 2.29 2.15 0.09 -1.60 116.67 124.38 1ubc s ASP 226 Ca 0.11 -1.38 -0.05 0.00 0.43 0.00 0.00 52.55 51.66 1ubc s ASP 226 Cb -0.12 -1.90 -0.03 0.00 -0.30 0.00 0.00 42.92 40.56 1ubc s ASP 226 CO 0.02 -0.43 0.01 -0.69 -0.17 0.00 0.00 175.17 173.91 1ubc s VAL 227 N 1.38 4.36 -0.06 1.11 1.01 -0.12 -1.30 120.40 126.78 1ubc s VAL 227 Ca 0.01 -0.20 -0.05 0.00 0.00 0.00 0.00 61.98 61.75 1ubc s VAL 227 Cb -0.21 -2.92 0.02 0.00 0.00 0.00 0.00 36.38 33.26 1ubc s VAL 227 CO 0.02 0.50 0.14 -0.13 0.00 0.00 0.00 175.10 175.63 1ubc s ARG 228 N 0.17 0.16 -0.46 2.72 0.52 -0.62 -3.84 118.95 117.60 1ubc s ARG 228 Ca 0.01 0.22 -0.28 0.00 -0.52 0.00 0.00 55.73 55.17 1ubc s ARG 228 Cb -0.13 0.05 0.03 0.00 0.52 0.00 0.00 34.95 35.41 1ubc s ARG 228 CO 0.02 -0.04 1.06 1.03 0.02 0.00 0.00 175.30 177.39 1ubc s ARG 229 N 0.23 3.68 -0.13 3.54 0.52 -1.26 -1.03 118.95 124.50 1ubc s ARG 229 Ca -0.01 0.46 -0.10 0.00 -0.52 0.00 0.00 55.73 55.56 1ubc s ARG 229 Cb -0.02 -3.90 -0.07 0.00 0.52 0.00 0.00 34.95 31.47 1ubc s ARG 229 CO -0.01 -1.30 0.08 0.97 0.02 0.00 0.00 175.30 175.06 1ubc h ILE 230 N 6.15 0.38 -4.21 1.52 2.10 -1.73 -3.48 117.51 118.24 1ubc h ILE 230 Ca -0.23 -1.36 -0.51 0.00 1.08 0.00 0.00 64.86 63.84 1ubc h ILE 230 Cb 1.07 0.79 -0.28 0.00 -1.09 0.00 0.00 36.82 37.31 1ubc h ILE 230 CO 1.09 0.13 -0.82 -0.70 -1.08 0.00 0.00 178.15 176.77 1ubc s GLU 231 N -2.00 1.23 -0.72 2.19 2.56 -0.93 -4.98 118.70 116.06 1ubc s GLU 231 Ca -0.12 -0.64 -0.24 0.00 0.00 0.00 0.00 54.97 53.98 1ubc s GLU 231 Cb 0.01 -1.22 0.06 0.00 2.00 0.00 0.00 34.13 34.99 1ubc s GLU 231 CO 0.26 0.33 1.08 0.99 -0.56 0.00 0.00 175.26 177.35 1ubc s THR 232 N -0.50 4.17 -0.43 -1.70 2.01 -1.26 0.10 115.64 118.02 1ubc s THR 232 Ca 0.05 -0.25 -0.44 0.00 0.31 0.00 0.00 61.69 61.36 1ubc s THR 232 Cb -0.07 -4.77 -0.18 0.00 0.01 0.00 0.00 72.50 67.49 1ubc s THR 232 CO 0.00 -1.59 1.75 0.18 -0.69 0.00 0.00 174.62 174.27 1ubc n LEU 233 N 8.14 1.51 -4.64 4.42 7.99 -0.89 -4.89 117.00 128.64 1ubc n LEU 233 Ca 0.02 1.05 -0.42 0.00 -0.01 0.00 0.00 56.01 56.64 1ubc n LEU 233 Cb 0.47 -0.97 -0.04 0.00 -0.11 0.00 0.00 43.42 42.77 1ubc n LEU 233 CO 0.65 -0.71 0.71 -0.54 -1.51 0.00 0.00 177.39 175.99 1ubc s LYS 234 N 3.76 4.14 -0.00 3.23 1.02 -1.26 -3.15 119.74 127.47 1ubc s LYS 234 Ca 1.06 0.95 0.18 0.00 0.02 0.00 0.00 55.97 58.17 1ubc s LYS 234 Cb -1.35 -3.67 0.51 0.00 -0.52 0.00 0.00 37.83 32.80 1ubc s LYS 234 CO 0.74 -0.61 1.42 -0.40 -0.92 0.00 0.00 175.35 175.58 1ubc n ASP 235 N 6.19 3.11 0.00 2.83 3.85 -1.26 -4.84 116.55 126.44 1ubc n ASP 235 Ca 0.07 -2.02 0.00 0.00 -0.71 0.00 0.00 54.79 52.13 1ubc n ASP 235 Cb 0.47 -0.39 0.00 0.00 -1.35 0.00 0.00 41.12 39.85 1ubc n ASP 235 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1ubc n GLY 236 N 1.39 1.84 0.00 6.12 0.00 -1.26 -4.66 105.19 108.62 1ubc n GLY 236 Ca 0.19 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1ubc n GLY 236 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1ubc n THR 237 N 0.00 0.00 0.00 2.61 5.66 -1.26 -4.97 114.28 116.32 1ubc n THR 237 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1ubc n THR 237 Cb 0.00 -0.30 0.00 0.00 -1.55 0.00 0.00 70.33 68.48 1ubc n THR 237 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 1ubc n ASP 238 N 0.00 3.15 0.00 1.09 5.75 -1.26 -5.11 116.55 120.17 1ubc n ASP 238 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1ubc n ASP 238 Cb 0.00 0.63 0.00 0.00 -1.03 0.00 0.00 41.12 40.72 1ubc n ASP 238 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ubc n ALA 239 N -0.95 0.00 0.02 2.12 0.00 -1.26 -4.46 120.51 115.97 1ubc n ALA 239 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 1ubc n ALA 239 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 1ubc n ALA 239 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1ubc n VAL 240 N 0.00 0.73 0.00 0.00 0.24 -1.19 -4.84 118.33 113.27 1ubc n VAL 240 Ca 0.00 -0.63 0.00 0.00 -2.04 0.00 0.00 64.34 61.67 1ubc n VAL 240 Cb 0.00 -0.38 0.00 0.00 -1.47 0.00 0.00 33.84 31.99 1ubc n VAL 240 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ubc n GLY 241 N 1.36 -0.69 3.54 7.63 0.00 -1.26 0.24 105.19 116.01 1ubc n GLY 241 Ca -0.09 0.12 -0.14 0.00 0.00 0.00 0.00 46.02 45.90 1ubc n GLY 241 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ubc s ASN 242 N -4.00 -0.66 -0.10 1.61 -0.87 -1.10 -2.09 114.94 107.73 1ubc s ASN 242 Ca 0.00 1.25 -0.24 0.00 -1.57 0.00 0.00 52.86 52.29 1ubc s ASN 242 Cb 0.00 1.26 -0.03 0.00 -0.02 0.00 0.00 41.25 42.46 1ubc s ASN 242 CO 0.00 -0.24 0.76 -0.60 -2.57 0.00 0.00 177.10 174.44 1ubc s ARG 243 N 0.24 4.40 0.29 -0.60 3.52 0.29 -1.79 118.95 125.29 1ubc s ARG 243 Ca -0.01 0.95 0.11 0.00 -0.13 0.00 0.00 55.73 56.65 1ubc s ARG 243 Cb -0.04 -3.49 -0.05 0.00 -1.56 0.00 0.00 34.95 29.81 1ubc s ARG 243 CO 0.01 -0.07 -0.12 0.99 -0.81 0.00 0.00 175.30 175.30 1ubc s THR 244 N 1.25 2.69 -0.05 4.11 2.01 0.39 -1.89 115.64 124.15 1ubc s THR 244 Ca 0.38 -2.22 0.01 0.00 0.31 0.00 0.00 61.69 60.17 1ubc s THR 244 Cb -0.18 -2.52 0.02 0.00 0.01 0.00 0.00 72.50 69.83 1ubc s THR 244 CO 0.17 -0.35 -0.05 -0.60 -0.69 0.00 0.00 174.62 173.10 1ubc s ARG 245 N -3.58 0.97 -0.12 4.92 3.52 -0.19 -1.03 118.95 123.42 1ubc s ARG 245 Ca 0.31 -0.14 0.03 0.00 -0.13 0.00 0.00 55.73 55.80 1ubc s ARG 245 Cb -0.04 -0.96 0.01 0.00 -1.56 0.00 0.00 34.95 32.40 1ubc s ARG 245 CO 0.17 -0.09 -0.21 0.08 -0.81 0.00 0.00 175.30 174.44 1ubc s VAL 246 N 0.99 1.92 -0.21 7.11 1.01 -0.55 -1.59 120.40 129.07 1ubc s VAL 246 Ca -0.10 -0.90 -0.06 0.00 0.00 0.00 0.00 61.98 60.92 1ubc s VAL 246 Cb -0.14 -1.70 -0.03 0.00 0.00 0.00 0.00 36.38 34.51 1ubc s VAL 246 CO -0.00 0.52 0.04 -0.75 0.00 0.00 0.00 175.10 174.91 1ubc s LYS 247 N 0.77 3.70 -1.33 2.72 2.20 -0.42 -1.79 119.74 125.59 1ubc s LYS 247 Ca -0.09 -0.47 -0.08 0.00 -0.36 0.00 0.00 55.97 54.97 1ubc s LYS 247 Cb -0.16 -3.20 0.12 0.00 -1.51 0.00 0.00 37.83 33.09 1ubc s LYS 247 CO 0.00 -0.01 2.16 1.55 -0.36 0.00 0.00 175.35 178.69 1ubc n VAL 248 N 4.36 4.61 -0.41 4.02 3.14 -0.96 -0.73 118.33 132.36 1ubc n VAL 248 Ca -0.17 -4.15 0.33 0.00 -2.96 0.00 0.00 64.34 57.40 1ubc n VAL 248 Cb 0.52 -2.29 0.63 0.00 -1.06 0.00 0.00 33.84 31.63 1ubc n VAL 248 CO 0.00 0.00 0.00 -0.37 -6.46 0.00 0.00 176.83 170.00 1ubc h VAL 249 N 3.29 0.26 -3.25 1.55 -1.51 -1.83 -1.37 116.25 113.38 1ubc h VAL 249 Ca 0.55 -0.06 -0.44 0.00 -1.23 0.00 0.00 66.70 65.53 1ubc h VAL 249 Cb 0.49 0.08 -0.38 0.00 -2.13 0.00 0.00 31.29 29.35 1ubc h VAL 249 CO 1.60 0.03 -0.77 -0.75 -1.23 0.00 0.00 177.57 176.46 1ubc s LYS 250 N -5.30 0.60 -0.30 5.19 2.20 -1.20 -4.37 119.74 116.57 1ubc s LYS 250 Ca -0.08 0.11 -0.03 0.00 -0.36 0.00 0.00 55.97 55.61 1ubc s LYS 250 Cb 0.28 -0.98 0.11 0.00 -1.51 0.00 0.00 37.83 35.73 1ubc s LYS 250 CO 0.82 -0.31 0.15 1.21 -0.36 0.00 0.00 175.35 176.86 1ubc s ASN 251 N 1.97 3.40 -0.01 1.43 3.84 -1.26 -0.30 114.94 124.02 1ubc s ASN 251 Ca 0.05 -1.43 0.05 0.00 0.21 0.00 0.00 52.86 51.73 1ubc s ASN 251 Cb -0.12 -0.34 0.15 0.00 -0.55 0.00 0.00 41.25 40.38 1ubc s ASN 251 CO -0.05 -0.42 1.06 0.29 -2.79 0.00 0.00 177.10 175.19 1ubc n LYS 252 N 5.04 1.44 -0.14 0.43 4.76 0.20 -3.66 118.16 126.23 1ubc n LYS 252 Ca -0.03 -0.59 0.03 0.00 -2.87 0.00 0.00 58.31 54.86 1ubc n LYS 252 Cb 0.41 -1.21 0.04 0.00 -1.84 0.00 0.00 35.03 32.44 1ubc n LYS 252 CO 0.00 0.00 0.00 1.55 -1.37 0.00 0.00 177.40 177.58 1ubc n VAL 253 N -0.01 0.82 0.00 -0.18 3.14 -1.26 -3.55 118.33 117.29 1ubc n VAL 253 Ca 0.05 -0.94 0.00 0.00 -2.96 0.00 0.00 64.34 60.50 1ubc n VAL 253 Cb 0.18 0.38 0.00 0.00 -1.06 0.00 0.00 33.84 33.35 1ubc n VAL 253 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 1ubc n SER 254 N -0.56 0.00 -4.65 6.55 3.41 -1.24 -4.66 113.62 112.47 1ubc n SER 254 Ca 0.05 0.00 -0.44 0.00 -0.26 0.00 0.00 58.87 58.22 1ubc n SER 254 Cb 0.52 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.44 1ubc n SER 254 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1ubc n PRO 255 N -0.47 2.55 0.00 4.33 -0.05 -1.26 -4.66 135.00 135.44 1ubc n PRO 255 Ca 0.00 0.91 0.00 0.00 -0.05 0.00 0.00 63.50 64.36 1ubc n PRO 255 Cb 0.00 -2.95 0.00 0.00 -0.05 0.00 0.00 33.50 30.50 1ubc n PRO 255 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 175.50 175.10 1ubc n PRO 256 N 7.53 0.84 -0.63 0.54 -0.04 -1.26 -4.44 135.00 137.53 1ubc n PRO 256 Ca 0.22 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.67 1ubc n PRO 256 Cb 0.38 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.84 1ubc n PRO 256 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1ubc n PHE 257 N -0.62 -0.06 -0.64 0.54 3.72 -0.52 -4.94 117.46 114.95 1ubc n PHE 257 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1ubc n PHE 257 Cb 0.00 -1.43 0.00 0.00 -0.94 0.00 0.00 39.48 37.11 1ubc n PHE 257 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1ubc n LYS 258 N 0.26 0.33 0.00 -1.08 4.01 -1.26 -4.79 118.16 115.64 1ubc n LYS 258 Ca -0.01 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.79 1ubc n LYS 258 Cb 0.28 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.80 1ubc n LYS 258 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1ubc n GLN 259 N -0.66 0.00 -3.99 1.97 10.64 -1.26 -2.27 117.38 121.81 1ubc n GLN 259 Ca 0.00 0.00 -0.12 0.00 -1.83 0.00 0.00 57.00 55.05 1ubc n GLN 259 Cb 0.00 0.00 -0.13 0.00 -0.86 0.00 0.00 30.24 29.25 1ubc n GLN 259 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1ubc s ALA 260 N -1.98 0.21 -0.11 2.61 0.00 -0.74 -4.91 121.76 116.84 1ubc s ALA 260 Ca 0.00 -0.30 0.01 0.00 0.00 0.00 0.00 51.96 51.68 1ubc s ALA 260 Cb 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 23.12 23.12 1ubc s ALA 260 CO 0.00 -0.02 -0.15 -1.21 0.00 0.00 0.00 175.76 174.39 1ubc s GLU 261 N -0.59 3.20 0.25 0.00 2.02 -1.26 -1.48 118.70 120.84 1ubc s GLU 261 Ca -0.05 -0.72 -0.10 0.00 0.02 0.00 0.00 54.97 54.13 1ubc s GLU 261 Cb -0.04 -2.54 -0.01 0.00 0.10 0.00 0.00 34.13 31.64 1ubc s GLU 261 CO -0.00 0.27 0.42 -0.59 0.02 0.00 0.00 175.26 175.39 1ubc s PHE 262 N 0.18 0.56 0.07 1.61 -0.12 -0.20 -4.94 117.98 115.14 1ubc s PHE 262 Ca -0.09 -0.89 0.05 0.00 -0.05 0.00 0.00 56.93 55.95 1ubc s PHE 262 Cb -0.15 0.05 -0.04 0.00 -0.63 0.00 0.00 43.02 42.25 1ubc s PHE 262 CO 0.05 -0.96 -0.03 -0.51 -0.05 0.00 0.00 175.22 173.73 1ubc s ASP 263 N -3.06 4.86 -0.33 1.98 1.01 -1.26 0.15 116.67 120.01 1ubc s ASP 263 Ca 0.26 -0.19 0.00 0.00 0.71 0.00 0.00 52.55 53.33 1ubc s ASP 263 Cb 0.01 -1.13 0.10 0.00 1.01 0.00 0.00 42.92 42.91 1ubc s ASP 263 CO 0.11 0.20 0.11 -0.63 0.21 0.00 0.00 175.17 175.17 1ubc s ILE 264 N -1.22 1.13 0.22 0.77 1.01 -0.74 -2.76 121.20 119.61 1ubc s ILE 264 Ca 0.23 -1.66 -0.30 0.00 0.00 0.00 0.00 60.65 58.92 1ubc s ILE 264 Cb -0.11 -1.85 -0.09 0.00 0.01 0.00 0.00 42.46 40.42 1ubc s ILE 264 CO 0.15 -0.69 1.29 -0.76 0.00 0.00 0.00 174.94 174.93 1ubc s LEU 265 N 1.38 4.43 -0.04 2.97 2.01 -0.72 -2.70 118.68 126.00 1ubc s LEU 265 Ca 0.11 2.42 -0.38 0.00 0.01 0.00 0.00 54.13 56.29 1ubc s LEU 265 Cb -0.18 -3.62 -0.17 0.00 0.01 0.00 0.00 46.19 42.23 1ubc s LEU 265 CO -0.20 -0.49 1.45 -1.22 1.01 0.00 0.00 176.35 176.90 1ubc n TYR 266 N 2.28 1.62 -3.73 0.29 4.01 0.67 -1.22 117.16 121.08 1ubc n TYR 266 Ca 0.05 0.65 -0.26 0.00 -0.16 0.00 0.00 57.90 58.18 1ubc n TYR 266 Cb 0.43 -2.35 0.05 0.00 -0.31 0.00 0.00 39.34 37.16 1ubc n TYR 266 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ubc n GLY 267 N 2.98 -0.47 0.00 2.72 0.00 -1.26 -4.75 105.19 104.41 1ubc n GLY 267 Ca 0.21 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.43 1ubc n GLY 267 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1ubc n GLN 268 N -4.69 0.00 0.00 1.61 7.27 -0.36 -5.04 117.38 116.17 1ubc n GLN 268 Ca -0.05 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.02 1ubc n GLN 268 Cb 0.57 -0.02 0.00 0.00 2.41 0.00 0.00 30.24 33.20 1ubc n GLN 268 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1ubc n GLY 269 N 0.00 0.15 3.67 1.69 0.00 -1.05 -4.66 105.19 104.99 1ubc n GLY 269 Ca 0.00 -0.95 -0.42 0.00 0.00 0.00 0.00 46.02 44.64 1ubc n GLY 269 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ubc s ILE 270 N 0.00 3.60 -0.51 -0.61 1.01 -1.26 -1.76 121.20 121.67 1ubc s ILE 270 Ca 0.00 0.87 -0.28 0.00 0.00 0.00 0.00 60.65 61.24 1ubc s ILE 270 Cb 0.00 -3.56 0.01 0.00 0.01 0.00 0.00 42.46 38.92 1ubc s ILE 270 CO 0.00 -0.04 1.38 -0.55 0.00 0.00 0.00 174.94 175.73 1ubc s SER 271 N 2.58 6.25 0.25 3.58 0.15 -1.11 -4.86 113.70 120.55 1ubc s SER 271 Ca 0.69 0.47 -0.06 0.00 0.70 0.00 0.00 55.95 57.75 1ubc s SER 271 Cb -0.33 -2.54 0.28 0.00 -1.71 0.00 0.00 66.02 61.71 1ubc s SER 271 CO 0.28 -1.57 1.93 -0.09 1.20 0.00 0.00 173.24 174.98 1ubc h ARG 272 N 10.75 1.31 0.07 5.44 2.43 -1.92 -2.11 114.38 130.36 1ubc h ARG 272 Ca -0.27 -0.08 -0.00 0.00 -0.81 0.00 0.00 59.98 58.82 1ubc h ARG 272 Cb 1.09 -0.30 0.00 0.00 -0.42 0.00 0.00 29.97 30.35 1ubc h ARG 272 CO 1.14 0.87 -0.04 0.93 -1.51 0.00 0.00 179.97 181.36 1ubc h GLU 273 N 1.35 -0.10 -1.30 0.20 3.07 -1.93 -2.36 114.58 113.52 1ubc h GLU 273 Ca 0.37 0.01 0.41 0.00 -0.50 0.00 0.00 59.36 59.65 1ubc h GLU 273 Cb -0.15 0.02 -0.12 0.00 -0.84 0.00 0.00 28.75 27.66 1ubc h GLU 273 CO -0.08 0.14 0.84 0.78 -1.40 0.00 0.00 179.01 179.29 1ubc h GLY 274 N -0.32 1.22 0.69 -3.84 0.00 -1.75 -0.36 103.07 98.72 1ubc h GLY 274 Ca -0.01 -0.12 -0.13 0.00 0.00 0.00 0.00 47.33 47.07 1ubc h GLY 274 CO 0.02 -0.34 -0.50 0.23 0.00 0.00 0.00 176.54 175.94 1ubc h SER 275 N 0.12 0.45 -0.79 0.19 0.87 -1.02 -3.29 113.55 110.07 1ubc h SER 275 Ca 0.79 -0.77 0.19 0.00 -1.23 0.00 0.00 61.79 60.77 1ubc h SER 275 Cb 2.46 -0.14 -0.13 0.00 -0.44 0.00 0.00 62.40 64.15 1ubc h SER 275 CO -0.38 1.15 0.08 -0.07 -0.53 0.00 0.00 176.83 177.08 1ubc h LEU 276 N -0.21 -0.23 0.35 2.23 -0.00 -0.71 -1.06 115.31 115.67 1ubc h LEU 276 Ca -0.06 0.19 -0.00 0.00 -0.00 0.00 0.00 57.88 58.01 1ubc h LEU 276 Cb 1.23 0.31 -0.02 0.00 -0.00 0.00 0.00 40.66 42.18 1ubc h LEU 276 CO 0.10 -0.16 -0.37 0.40 -0.00 0.00 0.00 178.44 178.40 1ubc h ILE 277 N 0.14 0.24 -0.26 1.22 5.03 -1.64 2.73 117.51 124.97 1ubc h ILE 277 Ca 0.45 0.00 0.06 0.00 -0.12 0.00 0.00 64.86 65.25 1ubc h ILE 277 Cb 0.83 0.24 -0.06 0.00 -3.03 0.00 0.00 36.82 34.80 1ubc h ILE 277 CO -0.66 0.00 -0.12 0.44 -0.68 0.00 0.00 178.15 177.13 1ubc h ASP 278 N -0.75 -0.41 -0.18 1.72 3.32 -1.31 0.55 116.42 119.36 1ubc h ASP 278 Ca -0.02 0.10 -0.15 0.00 0.02 0.00 0.00 57.03 56.98 1ubc h ASP 278 Cb 0.69 0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.46 1ubc h ASP 278 CO -0.08 -0.16 -0.43 0.24 -1.72 0.00 0.00 179.24 177.09 1ubc h MET 279 N -0.09 0.73 -0.64 3.56 2.86 -1.17 0.18 114.93 120.37 1ubc h MET 279 Ca 0.14 -0.40 0.13 0.00 -2.06 0.00 0.00 59.70 57.51 1ubc h MET 279 Cb 0.29 0.02 -0.12 0.00 0.06 0.00 0.00 31.60 31.85 1ubc h MET 279 CO -0.32 1.02 -0.20 0.78 1.06 0.00 0.00 176.91 179.25 1ubc h GLY 280 N 0.92 0.35 0.73 8.32 0.00 0.71 -1.20 103.07 112.91 1ubc h GLY 280 Ca 0.04 0.26 -0.22 0.00 0.00 0.00 0.00 47.33 47.41 1ubc h GLY 280 CO 0.09 -0.24 -1.02 -0.39 0.00 0.00 0.00 176.54 174.98 1ubc h VAL 281 N -0.04 1.39 0.00 4.60 -1.51 0.13 -1.95 116.25 118.88 1ubc h VAL 281 Ca 0.30 -2.53 0.00 0.00 -1.23 0.00 0.00 66.70 63.24 1ubc h VAL 281 Cb 0.50 3.09 0.00 0.00 -2.13 0.00 0.00 31.29 32.74 1ubc h VAL 281 CO -0.67 0.73 0.00 1.21 -1.23 0.00 0.00 177.57 177.60 1ubc n GLU 282 N -4.03 0.29 -0.40 5.19 2.13 0.60 -0.95 120.64 123.48 1ubc n GLU 282 Ca -0.16 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.66 1ubc n GLU 282 Cb 0.88 -1.09 0.00 0.00 0.27 0.00 0.00 31.44 31.49 1ubc n GLU 282 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 1ubc n HIS 283 N -0.59 0.00 0.00 4.31 8.25 -0.50 -5.01 115.22 121.68 1ubc n HIS 283 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 1ubc n HIS 283 Cb 0.01 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1ubc n HIS 283 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ubc n GLY 284 N 0.00 1.60 0.21 -1.41 0.00 -0.13 -4.82 105.19 100.64 1ubc n GLY 284 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 1ubc n GLY 284 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1ubc h PHE 285 N 0.00 0.00 -3.91 1.61 -1.00 -1.65 -3.38 116.94 108.61 1ubc h PHE 285 Ca 0.00 0.00 -0.31 0.00 2.81 0.00 0.00 57.97 60.47 1ubc h PHE 285 Cb 0.00 0.00 -0.28 0.00 3.61 0.00 0.00 35.95 39.28 1ubc h PHE 285 CO 0.00 0.00 -0.75 0.42 -1.61 0.00 0.00 178.31 176.37 1ubc s ILE 286 N -3.42 0.41 -0.17 -0.55 1.01 -0.98 -4.20 121.20 113.30 1ubc s ILE 286 Ca -0.01 -0.31 -0.06 0.00 0.00 0.00 0.00 60.65 60.26 1ubc s ILE 286 Cb 0.03 -0.36 -0.04 0.00 0.01 0.00 0.00 42.46 42.10 1ubc s ILE 286 CO 0.09 0.05 0.04 0.00 0.00 0.00 0.00 174.94 175.12 1ubc s ARG 287 N -0.28 3.86 -0.42 2.79 1.04 -0.17 -4.33 118.95 121.44 1ubc s ARG 287 Ca 0.01 -0.39 -0.17 0.00 -1.04 0.00 0.00 55.73 54.14 1ubc s ARG 287 Cb -0.03 -3.12 0.02 0.00 -2.04 0.00 0.00 34.95 29.78 1ubc s ARG 287 CO -0.00 0.29 0.40 0.15 -0.04 0.00 0.00 175.30 176.10 1ubc s LYS 288 N 0.30 3.06 -0.50 3.89 1.02 -1.26 -1.29 119.74 124.95 1ubc s LYS 288 Ca 0.02 -0.84 0.02 0.00 0.02 0.00 0.00 55.97 55.19 1ubc s LYS 288 Cb -0.13 -3.97 0.55 0.00 -0.52 0.00 0.00 37.83 33.76 1ubc s LYS 288 CO 0.01 -0.82 1.86 0.43 -0.92 0.00 0.00 175.35 175.90 1ubc n SER 289 N 5.47 5.21 -0.66 2.83 7.64 -0.53 -4.88 113.62 128.71 1ubc n SER 289 Ca -0.08 -3.71 0.00 0.00 1.01 0.00 0.00 58.87 56.08 1ubc n SER 289 Cb 0.47 -0.83 0.00 0.00 -1.01 0.00 0.00 64.21 62.84 1ubc n SER 289 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ubc n GLY 290 N -1.03 0.27 3.32 0.23 0.00 -1.26 -4.56 105.19 102.17 1ubc n GLY 290 Ca 0.57 -0.48 -0.22 0.00 0.00 0.00 0.00 46.02 45.88 1ubc n GLY 290 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ubc n SER 291 N -0.39 -6.12 -3.60 1.61 7.64 -1.26 -4.98 113.62 106.52 1ubc n SER 291 Ca 0.00 -0.43 -0.10 0.00 1.01 0.00 0.00 58.87 59.35 1ubc n SER 291 Cb 0.17 -4.81 -0.10 0.00 -1.01 0.00 0.00 64.21 58.46 1ubc n SER 291 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 1ubc s TRP 292 N -3.26 -0.72 -0.21 1.43 0.52 -1.26 -3.63 118.94 111.81 1ubc s TRP 292 Ca 0.47 1.26 -0.12 0.00 0.02 0.00 0.00 56.10 57.73 1ubc s TRP 292 Cb -0.21 0.17 -0.05 0.00 -1.15 0.00 0.00 33.47 32.24 1ubc s TRP 292 CO 0.58 -0.50 0.24 -0.06 0.02 0.00 0.00 176.95 177.23 1ubc s PHE 293 N 2.56 3.36 -0.00 -1.98 0.08 0.15 -1.45 117.98 120.71 1ubc s PHE 293 Ca 0.02 0.39 0.06 0.00 0.12 0.00 0.00 56.93 57.52 1ubc s PHE 293 Cb -0.13 -2.33 -0.02 0.00 -0.57 0.00 0.00 43.02 39.98 1ubc s PHE 293 CO -0.12 0.10 -0.18 -0.08 -0.10 0.00 0.00 175.22 174.84 1ubc s THR 294 N 0.95 1.42 -0.26 0.64 -1.32 -0.41 0.23 115.64 116.89 1ubc s THR 294 Ca 0.12 -0.85 0.00 0.00 -1.21 0.00 0.00 61.69 59.76 1ubc s THR 294 Cb -0.13 -1.20 0.05 0.00 -1.51 0.00 0.00 72.50 69.71 1ubc s THR 294 CO 0.04 0.33 -0.07 -0.47 -2.21 0.00 0.00 174.62 172.24 1ubc s TYR 295 N -0.51 3.18 -0.05 9.09 5.04 0.33 -1.00 117.35 133.43 1ubc s TYR 295 Ca 0.07 -1.95 -0.04 0.00 -2.44 0.00 0.00 57.07 52.70 1ubc s TYR 295 Cb -0.07 -2.01 0.01 0.00 0.35 0.00 0.00 41.96 40.23 1ubc s TYR 295 CO -0.00 -0.82 0.07 -0.85 -1.34 0.00 0.00 175.55 172.62 1ubc n GLU 296 N 4.56 -0.25 0.00 4.97 0.28 -1.26 -3.41 120.64 125.52 1ubc n GLU 296 Ca -0.15 0.29 0.00 0.00 -0.16 0.00 0.00 57.16 57.14 1ubc n GLU 296 Cb 0.44 -0.39 0.00 0.00 1.43 0.00 0.00 31.44 32.93 1ubc n GLU 296 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1ubc n GLY 297 N 0.42 1.23 3.53 -1.84 0.00 -1.26 -4.98 105.19 102.30 1ubc n GLY 297 Ca -0.01 -0.62 -0.39 0.00 0.00 0.00 0.00 46.02 44.99 1ubc n GLY 297 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1ubc n GLU 298 N 0.00 0.79 -2.78 1.61 -0.00 -1.22 -4.96 120.64 114.09 1ubc n GLU 298 Ca 0.00 0.30 -0.29 0.00 -0.00 0.00 0.00 57.16 57.16 1ubc n GLU 298 Cb 0.00 -1.84 -0.02 0.00 -0.00 0.00 0.00 31.44 29.58 1ubc n GLU 298 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.13 178.27 1ubc s GLN 299 N -2.12 3.70 -0.12 3.44 -2.07 -1.26 -0.51 119.66 120.71 1ubc s GLN 299 Ca 0.68 0.38 -0.11 0.00 -1.82 0.00 0.00 55.36 54.49 1ubc s GLN 299 Cb -0.49 -2.39 -0.04 0.00 -1.09 0.00 0.00 33.01 29.01 1ubc s GLN 299 CO 0.54 -0.09 -0.21 1.28 -1.32 0.00 0.00 175.29 175.49 1ubc n LEU 300 N -1.62 1.39 0.00 2.60 4.32 0.64 -4.76 117.00 119.57 1ubc n LEU 300 Ca 0.02 0.36 -0.04 0.00 -0.02 0.00 0.00 56.01 56.33 1ubc n LEU 300 Cb 0.54 -0.72 0.01 0.00 -1.62 0.00 0.00 43.42 41.64 1ubc n LEU 300 CO 0.50 -0.39 0.30 0.61 -1.22 0.00 0.00 177.39 177.18 1ubc n GLY 301 N 1.54 1.35 2.97 -0.72 0.00 -1.02 -4.75 105.19 104.56 1ubc n GLY 301 Ca -0.08 -1.10 -0.31 0.00 0.00 0.00 0.00 46.02 44.53 1ubc n GLY 301 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1ubc s GLN 302 N -2.04 2.03 0.00 1.61 0.74 -1.26 0.34 119.66 121.09 1ubc s GLN 302 Ca 0.09 -2.61 0.00 0.00 0.05 0.00 0.00 55.36 52.89 1ubc s GLN 302 Cb -0.02 -3.36 0.00 0.00 1.10 0.00 0.00 33.01 30.73 1ubc s GLN 302 CO 0.05 -1.11 0.00 0.41 -0.55 0.00 0.00 175.29 174.09 1ubc n GLY 303 N 3.15 3.37 0.28 2.59 0.00 -1.24 -4.60 105.19 108.75 1ubc n GLY 303 Ca 0.05 -1.57 -0.04 0.00 0.00 0.00 0.00 46.02 44.46 1ubc n GLY 303 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1ubc h LYS 304 N 0.00 -0.11 -0.10 1.61 3.64 -1.94 0.18 116.57 119.85 1ubc h LYS 304 Ca 0.00 0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.29 1ubc h LYS 304 Cb 0.00 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 1ubc h LYS 304 CO 0.00 -0.07 -0.37 1.49 -2.27 0.00 0.00 179.45 178.23 1ubc h GLU 305 N -0.11 0.20 0.06 1.90 4.57 -1.97 0.37 114.58 119.59 1ubc h GLU 305 Ca 0.24 -0.08 -0.00 0.00 -1.18 0.00 0.00 59.36 58.33 1ubc h GLU 305 Cb 0.49 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.08 1ubc h GLU 305 CO -0.60 0.54 -0.03 -0.97 -1.18 0.00 0.00 179.01 176.78 1ubc h ASN 306 N 0.17 -0.07 0.07 1.04 -1.24 -1.35 1.21 115.58 115.40 1ubc h ASN 306 Ca 0.02 -0.24 -0.07 0.00 0.71 0.00 0.00 56.30 56.72 1ubc h ASN 306 Cb 0.74 0.02 -0.01 0.00 0.73 0.00 0.00 38.32 39.79 1ubc h ASN 306 CO 0.06 0.21 -0.21 0.00 -1.29 0.00 0.00 177.43 176.19 1ubc h ALA 307 N 0.57 1.36 0.12 1.57 0.00 -0.58 0.43 119.26 122.73 1ubc h ALA 307 Ca -0.01 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1ubc h ALA 307 Cb 0.31 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1ubc h ALA 307 CO 0.01 0.44 -0.06 0.07 0.00 0.00 0.00 179.25 179.71 1ubc h ARG 308 N 0.24 -0.16 0.04 0.00 0.11 0.24 0.25 114.38 115.09 1ubc h ARG 308 Ca 0.04 0.01 0.03 0.00 0.10 0.00 0.00 59.98 60.16 1ubc h ARG 308 Cb 0.52 0.04 -0.05 0.00 1.11 0.00 0.00 29.97 31.58 1ubc h ARG 308 CO 0.03 -0.00 -0.35 1.57 0.10 0.00 0.00 179.97 181.33 1ubc h LYS 309 N -0.29 -0.50 -0.47 0.08 2.10 0.21 0.13 116.57 117.84 1ubc h LYS 309 Ca -0.02 0.03 0.04 0.00 -2.00 0.00 0.00 60.65 58.71 1ubc h LYS 309 Cb 0.23 0.11 -0.06 0.00 -0.90 0.00 0.00 32.23 31.62 1ubc h LYS 309 CO 0.03 -0.34 -0.31 0.35 -2.00 0.00 0.00 179.45 177.18 1ubc h PHE 310 N -0.52 -1.00 -0.86 0.07 3.57 0.59 0.13 116.94 118.92 1ubc h PHE 310 Ca 0.05 0.06 0.02 0.00 3.53 0.00 0.00 57.97 61.64 1ubc h PHE 310 Cb 0.59 0.50 -0.05 0.00 2.79 0.00 0.00 35.95 39.78 1ubc h PHE 310 CO -0.35 -0.21 0.56 -0.07 -2.23 0.00 0.00 178.31 176.02 1ubc h LEU 311 N -0.04 0.94 -0.40 0.59 3.38 -0.32 -0.23 115.31 119.23 1ubc h LEU 311 Ca 0.08 -0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.08 1ubc h LEU 311 Cb 0.24 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 40.69 1ubc h LEU 311 CO -0.47 0.66 -0.50 -0.07 0.09 0.00 0.00 178.44 178.16 1ubc h LEU 312 N 1.10 -1.67 0.00 1.67 -0.00 0.13 0.14 115.31 116.68 1ubc h LEU 312 Ca 0.33 0.22 0.00 0.00 -0.00 0.00 0.00 57.88 58.43 1ubc h LEU 312 Cb -0.03 0.69 0.00 0.00 -0.00 0.00 0.00 40.66 41.31 1ubc h LEU 312 CO -0.09 -0.35 0.00 -1.84 -0.00 0.00 0.00 178.44 176.17 1ubc n GLU 313 N -5.05 0.63 -2.93 1.13 0.28 -0.81 -3.64 120.64 110.26 1ubc n GLU 313 Ca -0.03 0.02 -0.25 0.00 -0.16 0.00 0.00 57.16 56.74 1ubc n GLU 313 Cb 0.30 -1.50 -0.03 0.00 1.43 0.00 0.00 31.44 31.63 1ubc n GLU 313 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1ubc n ASN 314 N -1.14 3.81 -0.23 -1.84 3.02 0.45 -4.89 115.26 114.45 1ubc n ASN 314 Ca 0.17 -3.55 -0.00 0.00 -0.03 0.00 0.00 54.58 51.17 1ubc n ASN 314 Cb 0.15 -0.56 0.11 0.00 -0.61 0.00 0.00 39.78 38.87 1ubc n ASN 314 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ubc h THR 315 N 2.60 0.88 -0.85 3.41 1.03 -1.53 0.86 112.91 119.31 1ubc h THR 315 Ca 0.14 -0.20 0.09 0.00 -0.01 0.00 0.00 66.41 66.43 1ubc h THR 315 Cb 0.64 0.24 -0.11 0.00 -1.07 0.00 0.00 68.15 67.86 1ubc h THR 315 CO 0.76 0.11 -0.46 -0.90 -0.01 0.00 0.00 175.52 175.02 1ubc n ASP 316 N -4.86 -0.80 -0.08 0.00 5.75 -1.26 0.95 116.55 116.24 1ubc n ASP 316 Ca 0.09 1.51 -0.14 0.00 -0.01 0.00 0.00 54.79 56.24 1ubc n ASP 316 Cb 0.23 -0.24 -0.05 0.00 -1.03 0.00 0.00 41.12 40.03 1ubc n ASP 316 CO 0.00 0.00 0.00 1.62 -0.11 0.00 0.00 177.20 178.71 1ubc h VAL 317 N 0.00 1.30 -0.54 2.12 3.04 -1.82 -3.18 116.25 117.18 1ubc h VAL 317 Ca 0.18 -1.56 0.10 0.00 -1.01 0.00 0.00 66.70 64.42 1ubc h VAL 317 Cb 0.40 1.67 -0.11 0.00 -2.01 0.00 0.00 31.29 31.24 1ubc h VAL 317 CO -0.81 0.50 -0.25 0.00 -1.01 0.00 0.00 177.57 175.99 1ubc h ALA 318 N 0.67 0.11 -0.31 3.17 0.00 0.31 -0.28 119.26 122.93 1ubc h ALA 318 Ca 0.03 0.18 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 1ubc h ALA 318 Cb 0.95 0.62 -0.02 0.00 0.00 0.00 0.00 17.79 19.35 1ubc h ALA 318 CO 0.09 -0.58 -0.04 -0.91 0.00 0.00 0.00 179.25 177.80 1ubc h ASN 319 N -0.12 0.46 -0.94 0.00 -0.26 -0.57 -1.87 115.58 112.27 1ubc h ASN 319 Ca 0.24 -0.09 0.06 0.00 -0.56 0.00 0.00 56.30 55.95 1ubc h ASN 319 Cb 0.50 -0.12 -0.06 0.00 -1.06 0.00 0.00 38.32 37.58 1ubc h ASN 319 CO -0.61 0.55 0.60 -0.08 -1.06 0.00 0.00 177.43 176.83 1ubc h GLU 320 N 0.46 1.08 0.05 0.81 4.81 -1.04 1.08 114.58 121.82 1ubc h GLU 320 Ca 0.10 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1ubc h GLU 320 Cb 0.36 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.50 1ubc h GLU 320 CO 0.02 0.72 -0.02 0.82 -0.73 0.00 0.00 179.01 179.81 1ubc h ILE 321 N 1.11 1.18 -0.51 2.32 5.03 -0.78 0.29 117.51 126.15 1ubc h ILE 321 Ca 0.40 -0.76 0.10 0.00 -0.12 0.00 0.00 64.86 64.48 1ubc h ILE 321 Cb 0.13 1.68 -0.10 0.00 -3.03 0.00 0.00 36.82 35.50 1ubc h ILE 321 CO -0.16 0.19 -0.14 -0.08 -0.68 0.00 0.00 178.15 177.28 1ubc h GLU 322 N -0.40 -0.01 0.31 2.37 4.81 -0.87 0.65 114.58 121.43 1ubc h GLU 322 Ca -0.01 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1ubc h GLU 322 Cb 0.36 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.71 1ubc h GLU 322 CO 0.01 -0.01 -0.47 -0.22 -0.73 0.00 0.00 179.01 177.59 1ubc h LYS 323 N -0.01 -0.79 -0.46 1.92 3.64 0.14 0.31 116.57 121.32 1ubc h LYS 323 Ca 0.24 0.05 0.09 0.00 -1.27 0.00 0.00 60.65 59.77 1ubc h LYS 323 Cb 0.38 0.18 -0.10 0.00 -0.41 0.00 0.00 32.23 32.29 1ubc h LYS 323 CO -0.53 -0.53 -0.22 0.87 -2.27 0.00 0.00 179.45 176.77 1ubc h LYS 324 N -0.82 -0.12 -0.84 1.90 1.57 0.77 0.18 116.57 119.21 1ubc h LYS 324 Ca -0.03 0.01 0.11 0.00 -1.87 0.00 0.00 60.65 58.86 1ubc h LYS 324 Cb 0.76 0.03 -0.06 0.00 0.08 0.00 0.00 32.23 33.03 1ubc h LYS 324 CO -0.15 -0.08 0.55 0.82 -0.57 0.00 0.00 179.45 180.02 1ubc h ILE 325 N -0.13 0.92 0.00 1.86 1.08 0.80 0.55 117.51 122.60 1ubc h ILE 325 Ca 0.22 -0.26 -0.10 0.00 -0.39 0.00 0.00 64.86 64.33 1ubc h ILE 325 Cb 0.46 0.10 -0.01 0.00 -3.07 0.00 0.00 36.82 34.30 1ubc h ILE 325 CO -0.54 0.14 -0.45 0.11 -0.69 0.00 0.00 178.15 176.72 1ubc h LYS 326 N 0.75 0.00 0.17 2.37 1.57 0.23 -2.98 116.57 118.68 1ubc h LYS 326 Ca 0.40 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.92 1ubc h LYS 326 Cb 0.51 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.84 1ubc h LYS 326 CO -0.16 0.45 -1.19 0.93 -0.57 0.00 0.00 179.45 178.91 1ubc h GLU 327 N 0.00 0.35 0.00 3.15 5.08 0.19 0.89 114.58 124.24 1ubc h GLU 327 Ca -0.00 -0.61 0.00 0.00 -1.00 0.00 0.00 59.36 57.75 1ubc h GLU 327 Cb 1.00 0.23 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1ubc h GLU 327 CO 0.06 1.29 0.00 1.17 -1.00 0.00 0.00 179.01 180.53 1ubc n LYS 328 N -3.94 0.42 0.02 2.33 3.00 0.16 -4.31 118.16 115.84 1ubc n LYS 328 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.13 1ubc n LYS 328 Cb 0.93 -1.47 0.00 0.00 0.00 0.00 0.00 35.03 34.49 1ubc n LYS 328 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1ubc n LEU 329 N -0.97 -0.27 0.00 3.14 4.77 -1.13 -5.06 117.00 117.48 1ubc n LEU 329 Ca 0.09 0.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 1ubc n LEU 329 Cb 0.04 0.53 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 1ubc n LEU 329 CO 0.07 -0.46 0.00 0.61 -1.33 0.00 0.00 177.39 176.28