#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ucj s VAL 2 N 0.00 4.82 -1.39 2.53 1.01 -1.25 -4.61 120.40 121.50 1ucj s VAL 2 Ca 0.00 1.27 -0.07 0.00 0.00 0.00 0.00 61.98 63.18 1ucj s VAL 2 Cb 0.00 -3.93 0.08 0.00 0.00 0.00 0.00 36.38 32.52 1ucj s VAL 2 CO 0.00 0.47 2.44 -1.20 0.00 0.00 0.00 175.10 176.81 1ucj n SER 3 N 2.31 7.70 -0.23 3.32 7.64 0.22 -4.98 113.62 129.60 1ucj n SER 3 Ca -0.08 -3.01 0.00 0.00 1.01 0.00 0.00 58.87 56.79 1ucj n SER 3 Cb 0.51 -1.43 0.00 0.00 -1.01 0.00 0.00 64.21 62.28 1ucj n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ucj n GLY 4 N 2.32 -0.48 3.60 0.23 0.00 -1.26 -4.63 105.19 104.97 1ucj n GLY 4 Ca 0.63 -1.06 -0.24 0.00 0.00 0.00 0.00 46.02 45.34 1ucj n GLY 4 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ucj s THR 5 N 0.00 3.22 -0.07 2.61 2.01 -1.26 -0.72 115.64 121.43 1ucj s THR 5 Ca 0.00 -1.93 -0.06 0.00 0.31 0.00 0.00 61.69 60.02 1ucj s THR 5 Cb 0.00 -2.69 0.03 0.00 0.01 0.00 0.00 72.50 69.85 1ucj s THR 5 CO 0.00 -0.31 0.19 0.54 -0.69 0.00 0.00 174.62 174.35 1ucj s VAL 6 N -2.19 -0.01 0.44 3.82 0.11 0.10 -4.82 120.40 117.85 1ucj s VAL 6 Ca 0.29 0.05 -0.24 0.00 -2.93 0.00 0.00 61.98 59.16 1ucj s VAL 6 Cb -0.07 -0.28 -0.08 0.00 -1.53 0.00 0.00 36.38 34.43 1ucj s VAL 6 CO 0.18 0.02 1.21 0.00 -3.33 0.00 0.00 175.10 173.17 1ucj h LEU 8 N 2.24 0.78 -1.09 0.00 5.85 -0.68 -0.98 115.31 121.42 1ucj h LEU 8 Ca -0.49 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.20 1ucj h LEU 8 Cb 1.25 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.08 1ucj h LEU 8 CO 0.61 0.58 0.00 0.77 -0.34 0.00 0.00 178.44 180.06 1ucj h SER 9 N 0.91 0.00 0.06 1.25 4.64 -1.71 -1.90 113.55 116.79 1ucj h SER 9 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 1ucj h SER 9 Cb -0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 1ucj h SER 9 CO -0.05 0.00 -0.19 0.00 -0.87 0.00 0.00 176.83 175.72 1ucj n ALA 10 N -1.82 2.93 -2.19 5.18 0.00 -0.38 -4.92 120.51 119.32 1ucj n ALA 10 Ca 0.01 -0.53 -0.19 0.00 0.00 0.00 0.00 53.44 52.72 1ucj n ALA 10 Cb 0.17 -1.00 0.01 0.00 0.00 0.00 0.00 19.45 18.64 1ucj n ALA 10 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ucj s LEU 11 N -2.26 3.67 0.67 0.00 1.43 -0.71 -5.00 118.68 116.48 1ucj s LEU 11 Ca 0.27 -0.16 -0.17 0.00 -1.03 0.00 0.00 54.13 53.04 1ucj s LEU 11 Cb 0.20 -2.80 0.00 0.00 0.03 0.00 0.00 46.19 43.61 1ucj s LEU 11 CO 0.44 -0.73 1.25 -2.65 0.23 0.00 0.00 176.35 174.89 1ucj n PRO 12 N -1.92 0.96 0.14 1.29 -0.02 -1.26 -4.85 135.00 129.33 1ucj n PRO 12 Ca 0.05 0.39 0.17 0.00 -2.02 0.00 0.00 63.50 62.08 1ucj n PRO 12 Cb 0.59 -2.49 0.75 0.00 -0.02 0.00 0.00 33.50 32.32 1ucj n PRO 12 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1ucj h PRO 13 N 0.31 0.00 0.00 0.52 0.13 -1.95 -0.35 132.00 130.66 1ucj h PRO 13 Ca -0.50 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.60 1ucj h PRO 13 Cb 1.34 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.46 1ucj h PRO 13 CO 0.52 0.00 -0.12 0.93 -0.23 0.00 0.00 178.00 179.10 1ucj h GLU 14 N 0.00 0.00 -0.66 0.86 3.07 -1.89 -1.84 114.58 114.13 1ucj h GLU 14 Ca 0.13 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 58.92 1ucj h GLU 14 Cb 0.61 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.49 1ucj h GLU 14 CO -0.00 0.12 0.13 0.00 -1.40 0.00 0.00 179.01 177.86 1ucj h ALA 15 N 1.88 0.99 -0.59 3.43 0.00 -1.39 -0.81 119.26 122.78 1ucj h ALA 15 Ca -0.00 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.59 1ucj h ALA 15 Cb 0.27 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1ucj h ALA 15 CO 0.01 0.64 0.09 1.15 0.00 0.00 0.00 179.25 181.15 1ucj h THR 16 N 1.00 1.26 -0.41 0.00 2.02 -1.45 -1.92 112.91 113.42 1ucj h THR 16 Ca 0.21 -1.00 0.01 0.00 0.77 0.00 0.00 66.41 66.40 1ucj h THR 16 Cb 0.39 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 67.54 1ucj h THR 16 CO 0.01 0.37 0.26 0.44 0.37 0.00 0.00 175.52 176.96 1ucj h ASP 17 N 0.87 0.44 -0.62 4.18 3.32 -1.07 -1.56 116.42 121.98 1ucj h ASP 17 Ca 0.18 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.22 1ucj h ASP 17 Cb 0.43 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.84 1ucj h ASP 17 CO 0.01 0.32 0.41 0.74 -1.72 0.00 0.00 179.24 179.00 1ucj h THR 18 N 0.53 1.17 -0.11 0.35 2.02 -0.94 -1.72 112.91 114.20 1ucj h THR 18 Ca 0.15 -0.31 -0.06 0.00 0.77 0.00 0.00 66.41 66.96 1ucj h THR 18 Cb -0.04 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 66.61 1ucj h THR 18 CO -0.04 0.16 -0.20 -0.07 0.37 0.00 0.00 175.52 175.74 1ucj h LEU 19 N 0.85 0.18 -0.70 2.58 3.38 -1.04 -1.19 115.31 119.36 1ucj h LEU 19 Ca 0.23 -0.04 -0.13 0.00 0.09 0.00 0.00 57.88 58.02 1ucj h LEU 19 Cb -0.08 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1ucj h LEU 19 CO -0.05 0.39 -0.45 0.78 0.09 0.00 0.00 178.44 179.20 1ucj h ASN 20 N 0.17 0.49 -0.01 -0.43 2.35 -0.54 -1.21 115.58 116.40 1ucj h ASN 20 Ca 0.03 -0.23 -0.17 0.00 -0.55 0.00 0.00 56.30 55.38 1ucj h ASN 20 Cb 0.45 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.68 1ucj h ASN 20 CO 0.03 0.87 -0.58 -0.07 -1.65 0.00 0.00 177.43 176.03 1ucj h LEU 21 N 0.37 0.68 -0.89 1.61 3.38 -0.86 -2.55 115.31 117.05 1ucj h LEU 21 Ca 0.03 -0.38 -0.07 0.00 0.09 0.00 0.00 57.88 57.55 1ucj h LEU 21 Cb 0.94 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 1ucj h LEU 21 CO 0.08 1.11 0.06 0.40 0.09 0.00 0.00 178.44 180.18 1ucj h ILE 22 N 0.46 1.24 -0.30 1.22 2.04 -1.02 0.42 117.51 121.57 1ucj h ILE 22 Ca 0.00 -0.97 -0.06 0.00 1.00 0.00 0.00 64.86 64.83 1ucj h ILE 22 Cb 1.14 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 37.96 1ucj h ILE 22 CO 0.11 0.35 -0.09 0.00 0.00 0.00 0.00 178.15 178.52 1ucj h ALA 23 N 1.23 1.29 -0.15 1.87 0.00 -1.03 -2.20 119.26 120.26 1ucj h ALA 23 Ca 0.17 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1ucj h ALA 23 Cb 0.41 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1ucj h ALA 23 CO 0.01 0.48 0.00 -1.13 0.00 0.00 0.00 179.25 178.61 1ucj n SER 24 N -4.23 2.19 -2.43 0.00 3.41 -0.97 -4.93 113.62 106.67 1ucj n SER 24 Ca 0.01 -1.76 -0.19 0.00 -0.26 0.00 0.00 58.87 56.67 1ucj n SER 24 Cb 0.30 -0.09 0.02 0.00 -0.26 0.00 0.00 64.21 64.18 1ucj n SER 24 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1ucj n ASP 25 N 0.68 -5.42 0.00 4.04 -0.08 -0.08 -4.74 116.55 110.95 1ucj n ASP 25 Ca 0.17 -0.17 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1ucj n ASP 25 Cb 0.43 -4.34 0.00 0.00 2.34 0.00 0.00 41.12 39.56 1ucj n ASP 25 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1ucj n GLY 26 N -1.29 -1.71 3.76 0.27 0.00 0.13 -4.87 105.19 101.48 1ucj n GLY 26 Ca -0.14 -2.01 -0.34 0.00 0.00 0.00 0.00 46.02 43.54 1ucj n GLY 26 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ucj s PRO 27 N 0.00 2.71 0.20 1.61 0.04 -1.26 -4.97 135.00 133.34 1ucj s PRO 27 Ca 0.00 1.52 0.07 0.00 0.04 0.00 0.00 61.00 62.62 1ucj s PRO 27 Cb 0.00 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.57 1ucj s PRO 27 CO 0.00 -1.34 0.11 -0.06 0.04 0.00 0.00 177.00 175.75 1ucj s PHE 28 N -2.17 3.03 0.28 0.56 0.08 -1.26 -4.98 117.98 113.53 1ucj s PHE 28 Ca 0.70 -0.09 0.31 0.00 0.12 0.00 0.00 56.93 57.96 1ucj s PHE 28 Cb -0.23 -1.42 1.42 0.00 -0.57 0.00 0.00 43.02 42.22 1ucj s PHE 28 CO 0.40 0.53 2.02 -1.00 -0.10 0.00 0.00 175.22 177.08 1ucj h PRO 29 N 2.13 0.00 -4.73 0.24 0.13 -1.98 -3.42 132.00 124.37 1ucj h PRO 29 Ca -0.47 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.08 1ucj h PRO 29 Cb 1.22 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 32.01 1ucj h PRO 29 CO 0.61 0.09 -0.83 0.71 -0.23 0.00 0.00 178.00 178.35 1ucj s TYR 30 N -3.90 1.88 0.62 1.56 2.02 -1.26 -5.01 117.35 113.27 1ucj s TYR 30 Ca -0.01 -0.84 0.32 0.00 -0.37 0.00 0.00 57.07 56.17 1ucj s TYR 30 Cb 0.11 -1.36 1.79 0.00 -0.40 0.00 0.00 41.96 42.10 1ucj s TYR 30 CO 0.56 -0.42 2.09 0.66 -1.57 0.00 0.00 175.55 176.87 1ucj h SER 31 N 7.27 0.00 1.81 2.29 4.64 -2.04 0.23 113.55 127.75 1ucj h SER 31 Ca -0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 1ucj h SER 31 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1ucj h SER 31 CO 0.48 0.00 -0.08 0.06 -0.87 0.00 0.00 176.83 176.42 1ucj h GLN 32 N 0.00 0.00 -6.44 4.77 -0.00 -1.96 -3.46 115.11 108.02 1ucj h GLN 32 Ca 0.06 0.00 -0.59 0.00 -0.00 0.00 0.00 58.65 58.11 1ucj h GLN 32 Cb 0.49 0.00 0.05 0.00 -0.00 0.00 0.00 27.48 28.02 1ucj h GLN 32 CO -0.00 0.00 0.86 -0.25 -0.00 0.00 0.00 178.83 179.44 1ucj n ASP 33 N -2.89 3.14 0.00 0.06 8.00 0.79 -1.34 116.55 124.31 1ucj n ASP 33 Ca 0.04 1.06 0.00 0.00 0.71 0.00 0.00 54.79 56.60 1ucj n ASP 33 Cb 0.51 -1.41 0.00 0.00 -0.02 0.00 0.00 41.12 40.20 1ucj n ASP 33 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ucj n GLY 34 N 3.63 0.70 3.74 0.44 0.00 -0.13 -4.99 105.19 108.59 1ucj n GLY 34 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 1ucj n GLY 34 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ucj s VAL 35 N -2.00 2.71 0.33 1.61 -7.23 -0.45 -4.64 120.40 110.73 1ucj s VAL 35 Ca 0.00 0.31 -0.29 0.00 -1.81 0.00 0.00 61.98 60.20 1ucj s VAL 35 Cb 0.00 -2.79 -0.10 0.00 0.56 0.00 0.00 36.38 34.05 1ucj s VAL 35 CO 0.00 -0.22 1.33 -0.89 -0.31 0.00 0.00 175.10 175.01 1ucj s THR 36 N -2.29 2.65 -0.24 5.32 2.01 -1.26 -1.18 115.64 120.65 1ucj s THR 36 Ca 0.69 0.65 -0.09 0.00 0.31 0.00 0.00 61.69 63.26 1ucj s THR 36 Cb -0.24 -3.41 -0.04 0.00 0.01 0.00 0.00 72.50 68.82 1ucj s THR 36 CO 0.47 0.15 0.11 0.12 -0.69 0.00 0.00 174.62 174.78 1ucj s PHE 37 N -1.09 3.19 0.05 4.92 5.36 0.48 -4.71 117.98 126.19 1ucj s PHE 37 Ca 0.50 -0.07 0.20 0.00 -0.96 0.00 0.00 56.93 56.60 1ucj s PHE 37 Cb -0.40 -2.24 0.58 0.00 -0.34 0.00 0.00 43.02 40.62 1ucj s PHE 37 CO 0.54 -0.12 1.68 1.96 -1.46 0.00 0.00 175.22 177.82 1ucj h GLN 38 N 7.77 0.00 -6.13 10.12 4.20 -1.95 -3.39 115.11 125.73 1ucj h GLN 38 Ca -0.37 0.00 -0.45 0.00 0.06 0.00 0.00 58.65 57.89 1ucj h GLN 38 Cb 1.18 0.00 0.03 0.00 0.30 0.00 0.00 27.48 28.99 1ucj h GLN 38 CO 0.61 0.35 -0.73 -1.71 -0.67 0.00 0.00 178.83 176.69 1ucj n ASN 39 N -3.39 -5.40 -0.10 1.46 5.15 -1.26 -4.84 115.26 106.88 1ucj n ASN 39 Ca 0.01 -0.69 0.21 0.00 -0.60 0.00 0.00 54.58 53.51 1ucj n ASN 39 Cb 0.55 -4.32 0.65 0.00 -0.53 0.00 0.00 39.78 36.12 1ucj n ASN 39 CO 0.00 0.00 0.00 -0.09 1.40 0.00 0.00 177.26 178.57 1ucj h ARG 40 N -2.33 0.11 -0.24 1.20 2.43 -2.00 -0.10 114.38 113.46 1ucj h ARG 40 Ca -0.58 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.59 1ucj h ARG 40 Cb 1.37 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.90 1ucj h ARG 40 CO 0.63 0.07 0.00 0.39 -1.51 0.00 0.00 179.97 179.55 1ucj n GLU 41 N -4.38 1.96 -2.69 0.20 4.71 -1.26 -4.94 120.64 114.24 1ucj n GLU 41 Ca 0.14 -1.45 -0.20 0.00 -0.01 0.00 0.00 57.16 55.63 1ucj n GLU 41 Cb 0.69 -1.42 0.01 0.00 -1.01 0.00 0.00 31.44 29.70 1ucj n GLU 41 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 1ucj n SER 42 N 0.68 -5.59 -0.05 1.62 7.64 -0.05 -4.87 113.62 113.00 1ucj n SER 42 Ca 0.17 -0.11 -0.11 0.00 1.01 0.00 0.00 58.87 59.83 1ucj n SER 42 Cb 0.41 -4.61 0.03 0.00 -1.01 0.00 0.00 64.21 59.03 1ucj n SER 42 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1ucj h VAL 43 N -0.55 1.29 -2.71 0.44 2.07 -1.93 -3.39 116.25 111.48 1ucj h VAL 43 Ca -0.48 -1.68 -0.46 0.00 0.82 0.00 0.00 66.70 64.90 1ucj h VAL 43 Cb 1.34 1.60 0.03 0.00 -1.52 0.00 0.00 31.29 32.74 1ucj h VAL 43 CO 0.55 0.54 -0.11 -0.76 0.02 0.00 0.00 177.57 177.81 1ucj s LEU 44 N -8.58 3.68 0.44 2.57 1.43 -1.26 -0.73 118.68 116.22 1ucj s LEU 44 Ca -0.09 0.27 -0.24 0.00 -1.03 0.00 0.00 54.13 53.04 1ucj s LEU 44 Cb 0.11 -3.15 -0.09 0.00 0.03 0.00 0.00 46.19 43.08 1ucj s LEU 44 CO 0.86 -0.67 1.13 -2.65 0.23 0.00 0.00 176.35 175.24 1ucj n PRO 45 N -2.05 1.55 -1.94 1.29 -0.02 -1.26 -4.88 135.00 127.69 1ucj n PRO 45 Ca 0.01 0.56 -0.42 0.00 -2.02 0.00 0.00 63.50 61.63 1ucj n PRO 45 Cb 0.58 -2.22 -0.03 0.00 -0.02 0.00 0.00 33.50 31.81 1ucj n PRO 45 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1ucj s THR 46 N -1.27 2.91 0.14 3.45 2.01 -1.26 -5.00 115.64 116.62 1ucj s THR 46 Ca 0.64 0.50 -0.08 0.00 0.31 0.00 0.00 61.69 63.06 1ucj s THR 46 Cb -0.52 -3.32 -0.01 0.00 0.01 0.00 0.00 72.50 68.66 1ucj s THR 46 CO 0.56 0.01 0.23 -1.10 -0.69 0.00 0.00 174.62 173.63 1ucj s GLN 47 N 2.04 1.04 0.69 4.92 -1.52 -1.26 -5.16 119.66 120.41 1ucj s GLN 47 Ca 0.72 -1.15 -0.14 0.00 -1.95 0.00 0.00 55.36 52.84 1ucj s GLN 47 Cb -0.41 0.35 0.02 0.00 -0.22 0.00 0.00 33.01 32.75 1ucj s GLN 47 CO 0.32 -0.36 1.13 -1.54 -0.25 0.00 0.00 175.29 174.59 1ucj s SER 48 N -2.95 4.78 0.08 5.90 1.04 -1.26 -4.90 113.70 116.39 1ucj s SER 48 Ca 0.14 2.06 -0.32 0.00 0.48 0.00 0.00 55.95 58.31 1ucj s SER 48 Cb 0.04 -2.56 -0.11 0.00 0.10 0.00 0.00 66.02 63.49 1ucj s SER 48 CO -0.03 -1.85 1.81 0.00 0.98 0.00 0.00 173.24 174.15 1ucj n TYR 49 N -2.65 2.49 0.00 5.02 9.36 -1.26 -1.73 117.16 128.39 1ucj n TYR 49 Ca 0.11 -0.06 0.00 0.00 3.32 0.00 0.00 57.90 61.26 1ucj n TYR 49 Cb 0.52 -2.69 0.00 0.00 -0.63 0.00 0.00 39.34 36.54 1ucj n TYR 49 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1ucj n GLY 50 N 4.15 0.64 0.17 2.98 0.00 -1.26 -4.95 105.19 106.92 1ucj n GLY 50 Ca 0.19 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.17 1ucj n GLY 50 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1ucj h TYR 51 N 0.00 0.24 -3.54 1.61 5.03 -1.66 -3.45 116.97 115.20 1ucj h TYR 51 Ca 0.00 -0.09 -0.67 0.00 2.58 0.00 0.00 58.73 60.56 1ucj h TYR 51 Cb 0.00 -0.04 -0.16 0.00 1.55 0.00 0.00 36.73 38.08 1ucj h TYR 51 CO 0.00 0.72 -0.71 0.71 -1.32 0.00 0.00 178.16 177.56 1ucj s TYR 52 N -3.77 2.85 0.02 -3.82 2.02 -1.26 -1.88 117.35 111.50 1ucj s TYR 52 Ca -0.03 -0.09 0.00 0.00 -0.37 0.00 0.00 57.07 56.58 1ucj s TYR 52 Cb 0.12 -1.52 -0.02 0.00 -0.40 0.00 0.00 41.96 40.14 1ucj s TYR 52 CO 0.79 0.41 -0.03 -1.01 -1.57 0.00 0.00 175.55 174.14 1ucj s HIS 53 N -1.15 0.29 -0.02 2.71 3.76 -0.91 -0.39 115.29 119.59 1ucj s HIS 53 Ca 0.21 -0.50 0.04 0.00 -0.15 0.00 0.00 55.06 54.66 1ucj s HIS 53 Cb -0.11 -0.20 -0.03 0.00 1.11 0.00 0.00 32.58 33.35 1ucj s HIS 53 CO 0.12 -0.17 -0.12 -1.83 -0.85 0.00 0.00 174.74 171.89 1ucj s GLU 54 N -1.39 2.45 0.01 1.40 -1.05 -0.33 -0.67 118.70 119.13 1ucj s GLU 54 Ca -0.14 -0.75 0.02 0.00 -0.15 0.00 0.00 54.97 53.95 1ucj s GLU 54 Cb -0.09 -2.39 -0.01 0.00 -0.44 0.00 0.00 34.13 31.19 1ucj s GLU 54 CO -0.01 0.60 -0.07 0.71 0.95 0.00 0.00 175.26 177.45 1ucj s TYR 55 N -0.85 0.59 0.31 4.83 1.51 -0.11 -0.95 117.35 122.67 1ucj s TYR 55 Ca 0.14 -0.24 -0.28 0.00 -1.01 0.00 0.00 57.07 55.67 1ucj s TYR 55 Cb -0.11 -0.37 -0.09 0.00 -0.11 0.00 0.00 41.96 41.28 1ucj s TYR 55 CO 0.03 -0.03 1.11 0.99 -1.11 0.00 0.00 175.55 176.54 1ucj s THR 56 N -0.58 3.45 -0.34 -0.71 2.01 -1.26 -0.92 115.64 117.30 1ucj s THR 56 Ca -0.02 1.39 -0.00 0.00 0.31 0.00 0.00 61.69 63.37 1ucj s THR 56 Cb -0.05 -3.86 0.08 0.00 0.01 0.00 0.00 72.50 68.68 1ucj s THR 56 CO 0.00 0.28 0.06 -0.69 -0.69 0.00 0.00 174.62 173.58 1ucj s VAL 57 N -1.25 2.84 0.22 3.82 1.01 -0.78 -4.78 120.40 121.47 1ucj s VAL 57 Ca 0.47 -1.80 -0.32 0.00 0.00 0.00 0.00 61.98 60.33 1ucj s VAL 57 Cb -0.31 -2.82 -0.13 0.00 0.00 0.00 0.00 36.38 33.12 1ucj s VAL 57 CO 0.40 -0.37 1.52 -0.38 0.00 0.00 0.00 175.10 176.27 1ucj n ILE 58 N 4.52 0.57 -3.64 2.22 5.41 -1.26 -4.39 119.36 122.78 1ucj n ILE 58 Ca -0.07 -0.14 -0.37 0.00 1.00 0.00 0.00 62.75 63.17 1ucj n ILE 58 Cb 0.42 -1.62 -0.11 0.00 -0.71 0.00 0.00 39.64 37.63 1ucj n ILE 58 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 1ucj s THR 59 N 0.37 5.25 0.12 1.39 2.01 -1.26 -4.81 115.64 118.71 1ucj s THR 59 Ca 0.72 0.15 -0.35 0.00 0.31 0.00 0.00 61.69 62.51 1ucj s THR 59 Cb -0.62 -3.48 -0.15 0.00 0.01 0.00 0.00 72.50 68.26 1ucj s THR 59 CO 0.44 0.30 1.43 -2.65 -0.69 0.00 0.00 174.62 173.44 1ucj n PRO 60 N 4.73 1.56 -0.37 4.92 -0.02 -1.26 -1.88 135.00 142.68 1ucj n PRO 60 Ca -0.15 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 1ucj n PRO 60 Cb 0.52 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 1ucj n PRO 60 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ucj n GLY 61 N 2.83 1.72 3.77 -1.23 0.00 -1.26 -5.00 105.19 106.01 1ucj n GLY 61 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 1ucj n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ucj s ALA 62 N -2.91 3.29 -0.17 4.61 0.00 -0.79 -4.93 121.76 120.87 1ucj s ALA 62 Ca 0.00 0.93 0.18 0.00 0.00 0.00 0.00 51.96 53.07 1ucj s ALA 62 Cb 0.00 -3.35 -0.04 0.00 0.00 0.00 0.00 23.12 19.72 1ucj s ALA 62 CO 0.00 -0.33 1.02 0.00 0.00 0.00 0.00 175.76 176.45 1ucj h ARG 63 N 3.21 0.00 0.00 0.00 3.08 -1.95 -3.47 114.38 115.25 1ucj h ARG 63 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.57 1ucj h ARG 63 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.27 1ucj h ARG 63 CO 0.65 0.24 0.00 0.25 -1.07 0.00 0.00 179.97 180.04 1ucj n THR 64 N -2.91 0.00 0.67 2.04 -2.24 -1.26 -5.01 114.28 105.57 1ucj n THR 64 Ca -0.05 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.86 1ucj n THR 64 Cb 0.73 -0.73 0.46 0.00 -2.10 0.00 0.00 70.33 68.70 1ucj n THR 64 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1ucj n ARG 65 N -0.55 0.17 0.00 -0.78 1.74 -1.26 -4.88 116.66 111.11 1ucj n ARG 65 Ca 0.00 0.20 0.00 0.00 -0.77 0.00 0.00 57.85 57.28 1ucj n ARG 65 Cb 0.00 -1.73 0.00 0.00 -1.02 0.00 0.00 32.46 29.71 1ucj n ARG 65 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ucj n GLY 66 N 1.05 -1.25 0.37 -0.13 0.00 -1.26 -4.42 105.19 99.55 1ucj n GLY 66 Ca 0.05 -1.25 0.04 0.00 0.00 0.00 0.00 46.02 44.86 1ucj n GLY 66 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ucj n THR 67 N -0.12 0.57 -3.92 2.61 -2.24 -1.26 -4.92 114.28 104.99 1ucj n THR 67 Ca 0.00 -0.78 -0.35 0.00 -2.27 0.00 0.00 64.05 60.65 1ucj n THR 67 Cb 0.00 0.78 -0.09 0.00 -2.10 0.00 0.00 70.33 68.93 1ucj n THR 67 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1ucj s ARG 68 N -0.83 3.90 0.16 -0.78 0.52 -1.26 -1.06 118.95 119.59 1ucj s ARG 68 Ca 0.12 -0.28 -0.12 0.00 -0.52 0.00 0.00 55.73 54.94 1ucj s ARG 68 Cb 0.07 -3.25 0.01 0.00 0.52 0.00 0.00 34.95 32.30 1ucj s ARG 68 CO 0.10 0.39 0.35 1.03 0.02 0.00 0.00 175.30 177.19 1ucj s ARG 69 N 0.06 1.17 -0.10 3.54 1.81 -0.33 -1.87 118.95 123.23 1ucj s ARG 69 Ca 0.07 -1.02 0.02 0.00 -1.72 0.00 0.00 55.73 53.08 1ucj s ARG 69 Cb -0.12 0.42 0.01 0.00 -0.45 0.00 0.00 34.95 34.82 1ucj s ARG 69 CO 0.00 -0.45 -0.15 0.42 -0.68 0.00 0.00 175.30 174.44 1ucj s ILE 70 N -3.91 1.47 -0.23 1.52 1.01 -0.10 -1.54 121.20 119.42 1ucj s ILE 70 Ca 0.12 -0.64 -0.06 0.00 0.00 0.00 0.00 60.65 60.07 1ucj s ILE 70 Cb 0.02 -1.34 -0.02 0.00 0.01 0.00 0.00 42.46 41.13 1ucj s ILE 70 CO -0.03 0.43 0.03 -0.63 0.00 0.00 0.00 174.94 174.74 1ucj s ILE 71 N 0.88 4.06 0.14 2.92 -1.09 0.78 -0.94 121.20 127.95 1ucj s ILE 71 Ca -0.09 -0.26 -0.13 0.00 -2.23 0.00 0.00 60.65 57.93 1ucj s ILE 71 Cb -0.15 -2.87 -0.07 0.00 -1.58 0.00 0.00 42.46 37.79 1ucj s ILE 71 CO 0.00 0.38 0.53 0.42 -1.23 0.00 0.00 174.94 175.04 1ucj s THR 72 N 1.43 4.89 0.11 2.92 -4.23 0.15 -0.24 115.64 120.68 1ucj s THR 72 Ca 0.05 0.76 0.06 0.00 -1.18 0.00 0.00 61.69 61.38 1ucj s THR 72 Cb -0.15 -3.72 -0.04 0.00 1.34 0.00 0.00 72.50 69.94 1ucj s THR 72 CO 0.02 0.23 -0.04 -0.83 -0.54 0.00 0.00 174.62 173.46 1ucj s GLY 73 N -1.77 1.84 0.53 3.99 0.00 -0.35 -2.14 107.32 109.42 1ucj s GLY 73 Ca 0.38 -1.22 0.35 0.00 0.00 0.00 0.00 44.72 44.23 1ucj s GLY 73 CO 0.19 -1.20 2.03 0.83 0.00 0.00 0.00 173.10 174.95 1ucj h GLU 74 N 3.34 0.00 -7.17 2.90 4.39 -1.67 -3.42 114.58 112.96 1ucj h GLU 74 Ca -0.48 0.00 -0.52 0.00 0.34 0.00 0.00 59.36 58.71 1ucj h GLU 74 Cb 1.17 0.00 0.11 0.00 -0.10 0.00 0.00 28.75 29.93 1ucj h GLU 74 CO 0.57 0.00 0.40 0.00 -1.16 0.00 0.00 179.01 178.81 1ucj s ALA 75 N -3.74 2.43 0.25 3.43 0.00 -1.26 -4.93 121.76 117.93 1ucj s ALA 75 Ca -0.00 0.72 -0.30 0.00 0.00 0.00 0.00 51.96 52.37 1ucj s ALA 75 Cb 0.10 -3.37 -0.10 0.00 0.00 0.00 0.00 23.12 19.74 1ucj s ALA 75 CO 0.47 -1.33 1.49 0.95 0.00 0.00 0.00 175.76 177.33 1ucj s THR 76 N -2.09 2.52 -1.85 0.00 -4.23 -1.26 -2.57 115.64 106.16 1ucj s THR 76 Ca 0.71 0.43 0.00 0.00 -1.18 0.00 0.00 61.69 61.65 1ucj s THR 76 Cb -0.24 -3.28 0.00 0.00 1.34 0.00 0.00 72.50 70.32 1ucj s THR 76 CO 0.39 0.06 0.00 0.00 -0.54 0.00 0.00 174.62 174.54 1ucj n GLN 77 N 2.49 -1.60 -3.58 3.99 1.13 -1.26 -4.96 117.38 113.59 1ucj n GLN 77 Ca 0.08 1.04 -0.41 0.00 -1.94 0.00 0.00 57.00 55.78 1ucj n GLN 77 Cb 0.39 -5.63 -0.10 0.00 0.11 0.00 0.00 30.24 25.01 1ucj n GLN 77 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 1ucj s GLU 78 N -4.76 2.74 -0.05 -1.09 2.12 -1.06 -4.93 118.70 111.66 1ucj s GLU 78 Ca 0.00 -1.28 -0.04 0.00 0.36 0.00 0.00 54.97 54.01 1ucj s GLU 78 Cb 0.00 -3.79 0.01 0.00 0.26 0.00 0.00 34.13 30.61 1ucj s GLU 78 CO 0.00 -0.85 0.13 -0.51 -0.54 0.00 0.00 175.26 173.49 1ucj s ASP 79 N 1.91 -0.13 -0.04 -1.70 1.01 -1.26 -1.21 116.67 115.25 1ucj s ASP 79 Ca 0.02 0.26 0.07 0.00 0.71 0.00 0.00 52.55 53.61 1ucj s ASP 79 Cb -0.21 0.26 -0.02 0.00 1.01 0.00 0.00 42.92 43.95 1ucj s ASP 79 CO 0.05 -0.05 -0.25 -0.31 0.21 0.00 0.00 175.17 174.82 1ucj s TYR 80 N 0.12 2.41 -0.11 4.23 2.02 0.66 -0.35 117.35 126.33 1ucj s TYR 80 Ca -0.00 -0.54 -0.02 0.00 -0.37 0.00 0.00 57.07 56.14 1ucj s TYR 80 Cb -0.01 -1.55 -0.03 0.00 -0.40 0.00 0.00 41.96 39.96 1ucj s TYR 80 CO -0.00 -0.10 -0.04 -0.47 -1.57 0.00 0.00 175.55 173.37 1ucj s TYR 81 N -0.42 3.03 -0.06 2.71 5.04 0.05 -0.16 117.35 127.53 1ucj s TYR 81 Ca 0.04 -0.10 0.03 0.00 -2.44 0.00 0.00 57.07 54.60 1ucj s TYR 81 Cb -0.12 -1.85 0.01 0.00 0.35 0.00 0.00 41.96 40.35 1ucj s TYR 81 CO 0.01 0.18 -0.13 -0.08 -1.34 0.00 0.00 175.55 174.19 1ucj s THR 82 N -0.25 1.18 -0.65 4.34 -1.32 -0.59 -1.83 115.64 116.53 1ucj s THR 82 Ca 0.04 -0.53 0.07 0.00 -1.21 0.00 0.00 61.69 60.07 1ucj s THR 82 Cb -0.13 -1.06 -0.01 0.00 -1.51 0.00 0.00 72.50 69.80 1ucj s THR 82 CO 0.02 0.36 0.52 0.61 -2.21 0.00 0.00 174.62 173.93 1ucj n GLY 83 N 3.62 -0.18 1.89 6.08 0.00 -1.26 -1.19 105.19 114.15 1ucj n GLY 83 Ca -0.21 -0.21 -0.22 0.00 0.00 0.00 0.00 46.02 45.38 1ucj n GLY 83 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ucj n ASP 84 N -0.35 4.81 -3.37 1.61 5.68 -1.22 -4.44 116.55 119.27 1ucj n ASP 84 Ca 0.03 -3.77 -0.19 0.00 -0.50 0.00 0.00 54.79 50.36 1ucj n ASP 84 Cb 0.15 -0.43 0.05 0.00 -1.14 0.00 0.00 41.12 39.76 1ucj n ASP 84 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 1ucj n HIS 85 N -0.78 -2.34 -0.94 2.11 -0.00 -0.23 -3.03 115.22 110.02 1ucj n HIS 85 Ca 0.43 0.76 0.00 0.00 -0.00 0.00 0.00 57.72 58.91 1ucj n HIS 85 Cb 0.92 -3.89 0.00 0.00 -0.00 0.00 0.00 29.99 27.02 1ucj n HIS 85 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1ucj n TYR 86 N -3.37 0.00 -0.03 1.57 4.01 -1.26 -4.89 117.16 113.18 1ucj n TYR 86 Ca -0.07 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.53 1ucj n TYR 86 Cb 0.60 -1.12 -0.11 0.00 -0.31 0.00 0.00 39.34 38.41 1ucj n TYR 86 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1ucj h ALA 87 N 0.00 0.02 -2.48 -0.72 0.00 -1.94 -3.47 119.26 110.67 1ucj h ALA 87 Ca 0.00 -0.35 -0.34 0.00 0.00 0.00 0.00 54.91 54.22 1ucj h ALA 87 Cb 0.47 -0.00 -0.16 0.00 0.00 0.00 0.00 17.79 18.10 1ucj h ALA 87 CO 0.00 -0.11 -0.73 0.95 0.00 0.00 0.00 179.25 179.37 1ucj s THR 88 N -3.55 1.13 0.03 0.00 -4.23 -1.26 -5.04 115.64 102.71 1ucj s THR 88 Ca -0.17 -1.88 0.01 0.00 -1.18 0.00 0.00 61.69 58.47 1ucj s THR 88 Cb 0.01 -1.65 -0.02 0.00 1.34 0.00 0.00 72.50 72.17 1ucj s THR 88 CO 0.70 -0.64 -0.06 -0.36 -0.54 0.00 0.00 174.62 173.72 1ucj s PHE 89 N -2.88 0.49 -0.01 3.99 0.08 -1.26 -4.41 117.98 113.98 1ucj s PHE 89 Ca 0.12 -0.48 0.03 0.00 0.12 0.00 0.00 56.93 56.72 1ucj s PHE 89 Cb -0.00 -0.31 -0.01 0.00 -0.57 0.00 0.00 43.02 42.14 1ucj s PHE 89 CO 0.01 -0.12 -0.10 -1.12 -0.10 0.00 0.00 175.22 173.79 1ucj s SER 90 N -1.44 1.21 -0.00 1.36 0.01 -0.76 0.73 113.70 114.81 1ucj s SER 90 Ca -0.12 -0.19 -0.30 0.00 1.31 0.00 0.00 55.95 56.66 1ucj s SER 90 Cb -0.09 -0.17 -0.05 0.00 0.21 0.00 0.00 66.02 65.91 1ucj s SER 90 CO -0.00 0.11 1.27 -0.76 0.41 0.00 0.00 173.24 174.28 1ucj s LEU 91 N -0.15 4.32 -0.10 2.44 1.43 0.11 -0.77 118.68 125.95 1ucj s LEU 91 Ca 0.02 1.98 -0.25 0.00 -1.03 0.00 0.00 54.13 54.86 1ucj s LEU 91 Cb -0.05 -3.57 -0.03 0.00 0.03 0.00 0.00 46.19 42.58 1ucj s LEU 91 CO -0.00 -0.60 0.79 -0.63 0.23 0.00 0.00 176.35 176.13 1ucj s ILE 92 N 1.95 4.96 -0.44 -0.59 1.01 0.53 0.00 121.20 128.62 1ucj s ILE 92 Ca 0.59 1.60 -0.10 0.00 0.00 0.00 0.00 60.65 62.74 1ucj s ILE 92 Cb -0.29 -4.12 0.09 0.00 0.01 0.00 0.00 42.46 38.16 1ucj s ILE 92 CO 0.25 0.15 0.31 -0.62 0.00 0.00 0.00 174.94 175.03 1ucj s ASP 93 N 0.98 5.75 0.00 3.58 -1.08 0.01 -4.60 116.67 121.31 1ucj s ASP 93 Ca 0.40 -1.57 0.23 0.00 -0.52 0.00 0.00 52.55 51.09 1ucj s ASP 93 Cb -0.18 -2.03 1.21 0.00 -1.46 0.00 0.00 42.92 40.46 1ucj s ASP 93 CO 0.17 -0.60 1.75 0.00 0.52 0.00 0.00 175.17 177.02 1ucj n GLN 94 N 4.97 0.42 0.00 4.34 6.02 -1.26 -1.33 117.38 130.55 1ucj n GLN 94 Ca -0.10 0.05 0.14 0.00 -0.01 0.00 0.00 57.00 57.08 1ucj n GLN 94 Cb 0.42 -1.50 0.56 0.00 1.02 0.00 0.00 30.24 30.74 1ucj n GLN 94 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1ucj n THR 95 N -1.22 0.00 -1.30 5.09 -2.24 -1.26 -4.89 114.28 108.46 1ucj n THR 95 Ca 0.12 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1ucj n THR 95 Cb 0.16 0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.55 1ucj n THR 95 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50