#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ucl s VAL 2 N 0.00 4.36 -1.37 2.53 1.01 -1.25 -4.70 120.40 120.98 1ucl s VAL 2 Ca 0.00 1.92 -0.09 0.00 0.00 0.00 0.00 61.98 63.81 1ucl s VAL 2 Cb 0.00 -4.23 0.10 0.00 0.00 0.00 0.00 36.38 32.25 1ucl s VAL 2 CO 0.00 0.27 2.20 -1.20 0.00 0.00 0.00 175.10 176.38 1ucl n SER 3 N 2.92 6.01 -0.34 3.32 7.64 0.14 -4.97 113.62 128.33 1ucl n SER 3 Ca 0.03 -3.00 0.00 0.00 1.01 0.00 0.00 58.87 56.91 1ucl n SER 3 Cb 0.48 -1.50 0.00 0.00 -1.01 0.00 0.00 64.21 62.19 1ucl n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ucl n GLY 4 N 2.89 -0.73 3.58 0.23 0.00 -1.26 -4.59 105.19 105.30 1ucl n GLY 4 Ca 0.52 -1.09 -0.29 0.00 0.00 0.00 0.00 46.02 45.16 1ucl n GLY 4 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ucl s THR 5 N 0.00 3.33 -0.02 2.61 2.01 -1.26 -0.81 115.64 121.50 1ucl s THR 5 Ca 0.00 -1.36 0.02 0.00 0.31 0.00 0.00 61.69 60.67 1ucl s THR 5 Cb 0.00 -2.58 0.00 0.00 0.01 0.00 0.00 72.50 69.93 1ucl s THR 5 CO 0.00 0.06 -0.07 0.54 -0.69 0.00 0.00 174.62 174.46 1ucl s VAL 6 N -1.32 0.65 0.26 3.82 0.11 0.41 -4.86 120.40 119.48 1ucl s VAL 6 Ca 0.22 -0.29 -0.29 0.00 -2.93 0.00 0.00 61.98 58.68 1ucl s VAL 6 Cb -0.11 -0.59 -0.09 0.00 -1.53 0.00 0.00 36.38 34.06 1ucl s VAL 6 CO 0.14 0.21 1.23 0.00 -3.33 0.00 0.00 175.10 173.35 1ucl h LEU 8 N 4.23 0.64 -1.43 0.00 5.85 -0.94 0.11 115.31 123.78 1ucl h LEU 8 Ca -0.47 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.25 1ucl h LEU 8 Cb 1.22 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.10 1ucl h LEU 8 CO 0.70 0.43 0.00 0.77 -0.34 0.00 0.00 178.44 180.00 1ucl h SER 9 N 0.74 0.00 0.93 1.25 4.64 -1.72 -1.51 113.55 117.88 1ucl h SER 9 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 1ucl h SER 9 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1ucl h SER 9 CO -0.09 0.00 -0.61 0.00 -0.87 0.00 0.00 176.83 175.27 1ucl h ALA 10 N 2.10 0.61 -2.28 5.18 0.00 -1.25 -3.47 119.26 120.14 1ucl h ALA 10 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 54.91 54.43 1ucl h ALA 10 Cb 0.26 0.00 0.05 0.00 0.00 0.00 0.00 17.79 18.10 1ucl h ALA 10 CO 0.00 0.00 0.15 -0.51 0.00 0.00 0.00 179.25 178.89 1ucl s LEU 11 N -4.38 3.39 0.67 0.00 1.43 -0.57 -5.03 118.68 114.19 1ucl s LEU 11 Ca 0.06 0.81 -0.17 0.00 -1.03 0.00 0.00 54.13 53.79 1ucl s LEU 11 Cb 0.13 -3.69 -0.00 0.00 0.03 0.00 0.00 46.19 42.65 1ucl s LEU 11 CO 0.72 -0.87 1.22 -2.65 0.23 0.00 0.00 176.35 175.00 1ucl n PRO 12 N -2.46 0.92 0.12 1.29 -0.02 -1.26 -4.85 135.00 128.74 1ucl n PRO 12 Ca 0.03 0.37 0.17 0.00 -2.02 0.00 0.00 63.50 62.05 1ucl n PRO 12 Cb 0.56 -2.46 0.74 0.00 -0.02 0.00 0.00 33.50 32.32 1ucl n PRO 12 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1ucl h PRO 13 N 0.27 0.00 0.00 0.52 0.13 -1.95 -0.32 132.00 130.65 1ucl h PRO 13 Ca -0.50 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.63 1ucl h PRO 13 Cb 1.34 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.47 1ucl h PRO 13 CO 0.51 0.00 -0.03 0.93 -0.23 0.00 0.00 178.00 179.19 1ucl h GLU 14 N 0.00 0.00 -0.47 0.86 3.07 -1.89 -1.69 114.58 114.47 1ucl h GLU 14 Ca 0.15 0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 58.91 1ucl h GLU 14 Cb 0.66 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.55 1ucl h GLU 14 CO -0.00 0.03 -0.11 0.00 -1.40 0.00 0.00 179.01 177.53 1ucl h ALA 15 N 1.97 0.92 -0.59 3.43 0.00 -1.38 -1.33 119.26 122.29 1ucl h ALA 15 Ca -0.00 -0.33 -0.11 0.00 0.00 0.00 0.00 54.91 54.48 1ucl h ALA 15 Cb 0.20 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1ucl h ALA 15 CO 0.00 0.63 -0.04 1.15 0.00 0.00 0.00 179.25 180.98 1ucl h THR 16 N 0.77 1.27 -0.53 0.00 2.02 -1.44 -1.78 112.91 113.22 1ucl h THR 16 Ca 0.13 -1.21 0.04 0.00 0.77 0.00 0.00 66.41 66.14 1ucl h THR 16 Cb 0.62 0.86 -0.04 0.00 -1.74 0.00 0.00 68.15 67.85 1ucl h THR 16 CO 0.04 0.43 0.29 0.44 0.37 0.00 0.00 175.52 177.09 1ucl h ASP 17 N 0.96 0.44 -0.54 4.18 3.32 -1.30 -0.99 116.42 122.49 1ucl h ASP 17 Ca 0.16 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.23 1ucl h ASP 17 Cb 0.61 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 40.07 1ucl h ASP 17 CO 0.04 0.30 0.33 0.74 -1.72 0.00 0.00 179.24 178.93 1ucl h THR 18 N 0.56 1.16 -0.53 0.35 2.02 -0.94 -1.95 112.91 113.59 1ucl h THR 18 Ca 0.22 -0.37 -0.04 0.00 0.77 0.00 0.00 66.41 67.00 1ucl h THR 18 Cb 0.09 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 66.90 1ucl h THR 18 CO -0.13 0.17 0.16 -0.07 0.37 0.00 0.00 175.52 176.01 1ucl h LEU 19 N 0.73 0.72 -0.80 2.58 3.38 -0.83 -0.85 115.31 120.24 1ucl h LEU 19 Ca 0.20 -0.11 -0.11 0.00 0.09 0.00 0.00 57.88 57.94 1ucl h LEU 19 Cb -0.02 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 1ucl h LEU 19 CO -0.04 0.69 -0.32 0.78 0.09 0.00 0.00 178.44 179.65 1ucl h ASN 20 N 0.77 0.54 0.40 -0.43 2.35 -0.79 -1.45 115.58 116.97 1ucl h ASN 20 Ca 0.18 -0.21 -0.17 0.00 -0.55 0.00 0.00 56.30 55.55 1ucl h ASN 20 Cb 0.24 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 1ucl h ASN 20 CO -0.01 0.83 -0.70 -0.07 -1.65 0.00 0.00 177.43 175.83 1ucl h LEU 21 N 0.45 0.31 -0.61 1.61 3.38 -0.96 -2.45 115.31 117.05 1ucl h LEU 21 Ca 0.05 -0.20 -0.09 0.00 0.09 0.00 0.00 57.88 57.72 1ucl h LEU 21 Cb 0.78 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 1ucl h LEU 21 CO 0.06 0.92 0.01 0.40 0.09 0.00 0.00 178.44 179.92 1ucl h ILE 22 N 0.18 1.27 -0.81 1.22 2.04 -0.93 0.50 117.51 120.98 1ucl h ILE 22 Ca -0.02 -1.14 -0.03 0.00 1.00 0.00 0.00 64.86 64.67 1ucl h ILE 22 Cb 1.26 0.79 -0.04 0.00 -0.74 0.00 0.00 36.82 38.09 1ucl h ILE 22 CO 0.11 0.42 0.39 0.00 0.00 0.00 0.00 178.15 179.06 1ucl h ALA 23 N 0.99 1.15 -0.01 1.87 0.00 -1.10 -2.28 119.26 119.87 1ucl h ALA 23 Ca 0.17 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1ucl h ALA 23 Cb 0.55 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1ucl h ALA 23 CO 0.03 0.64 -0.25 -1.13 0.00 0.00 0.00 179.25 178.54 1ucl n SER 24 N -4.31 1.61 -3.53 0.00 3.41 -0.94 -4.96 113.62 104.91 1ucl n SER 24 Ca 0.08 -1.29 -0.19 0.00 -0.26 0.00 0.00 58.87 57.21 1ucl n SER 24 Cb 0.14 0.20 0.07 0.00 -0.26 0.00 0.00 64.21 64.36 1ucl n SER 24 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1ucl n ASP 25 N -0.11 -1.74 0.00 4.04 2.03 0.14 -4.79 116.55 116.12 1ucl n ASP 25 Ca 0.13 -0.69 0.00 0.00 0.52 0.00 0.00 54.79 54.75 1ucl n ASP 25 Cb 0.41 -4.75 0.00 0.00 -0.72 0.00 0.00 41.12 36.06 1ucl n ASP 25 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ucl n GLY 26 N -1.29 -2.14 3.78 0.27 0.00 0.93 -4.81 105.19 101.93 1ucl n GLY 26 Ca -0.29 -1.85 -0.41 0.00 0.00 0.00 0.00 46.02 43.47 1ucl n GLY 26 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1ucl s PRO 27 N -0.17 4.08 0.15 1.61 0.02 -1.26 -4.97 135.00 134.47 1ucl s PRO 27 Ca 0.00 2.53 -0.04 0.00 0.02 0.00 0.00 61.00 63.50 1ucl s PRO 27 Cb 0.00 -2.94 -0.05 0.00 0.02 0.00 0.00 34.50 31.53 1ucl s PRO 27 CO 0.00 -0.54 0.38 -0.06 -0.33 0.00 0.00 177.00 176.45 1ucl s PHE 28 N -1.13 3.47 0.25 6.54 0.08 -1.26 -5.02 117.98 120.91 1ucl s PHE 28 Ca 0.53 0.54 0.03 0.00 0.12 0.00 0.00 56.93 58.15 1ucl s PHE 28 Cb -0.46 -1.99 0.30 0.00 -0.57 0.00 0.00 43.02 40.30 1ucl s PHE 28 CO 0.62 0.42 1.61 -1.00 -0.10 0.00 0.00 175.22 176.77 1ucl h PRO 29 N 2.72 0.33 -6.43 0.24 0.13 -1.98 -3.45 132.00 123.57 1ucl h PRO 29 Ca -0.46 -0.19 -0.69 0.00 -0.87 0.00 0.00 66.00 63.79 1ucl h PRO 29 Cb 1.17 0.01 -0.23 0.00 0.13 0.00 0.00 31.00 32.08 1ucl h PRO 29 CO 0.72 0.76 -0.79 0.71 -0.23 0.00 0.00 178.00 179.17 1ucl s TYR 30 N -4.01 2.64 0.38 1.56 2.02 -1.26 -5.01 117.35 113.67 1ucl s TYR 30 Ca -0.05 -0.20 0.37 0.00 -0.37 0.00 0.00 57.07 56.81 1ucl s TYR 30 Cb 0.12 -1.56 1.79 0.00 -0.40 0.00 0.00 41.96 41.91 1ucl s TYR 30 CO 0.80 0.20 2.15 0.66 -1.57 0.00 0.00 175.55 177.79 1ucl h SER 31 N 5.03 0.00 0.45 2.29 4.64 -2.05 -1.18 113.55 122.73 1ucl h SER 31 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1ucl h SER 31 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1ucl h SER 31 CO 0.49 0.02 -0.04 0.00 -0.87 0.00 0.00 176.83 176.44 1ucl n GLN 32 N -3.19 0.57 -2.25 4.77 1.13 -1.26 -4.83 117.38 112.32 1ucl n GLN 32 Ca -0.01 -0.09 -0.42 0.00 -1.94 0.00 0.00 57.00 54.54 1ucl n GLN 32 Cb 0.20 -1.50 -0.03 0.00 0.11 0.00 0.00 30.24 29.03 1ucl n GLN 32 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1ucl s ASP 33 N -2.49 6.90 0.00 1.08 1.01 -0.45 -2.90 116.67 119.82 1ucl s ASP 33 Ca 0.30 2.18 0.00 0.00 0.71 0.00 0.00 52.55 55.74 1ucl s ASP 33 Cb 0.20 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.56 1ucl s ASP 33 CO 0.46 -0.63 0.00 0.61 0.21 0.00 0.00 175.17 175.82 1ucl n GLY 34 N 3.47 0.54 3.78 0.21 0.00 0.69 -5.01 105.19 108.88 1ucl n GLY 34 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 1ucl n GLY 34 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ucl s VAL 35 N -2.23 3.53 0.29 1.61 -7.23 -1.14 -4.67 120.40 110.56 1ucl s VAL 35 Ca 0.00 0.59 -0.29 0.00 -1.81 0.00 0.00 61.98 60.47 1ucl s VAL 35 Cb 0.00 -3.15 -0.10 0.00 0.56 0.00 0.00 36.38 33.70 1ucl s VAL 35 CO 0.00 -0.55 1.29 -0.69 -0.31 0.00 0.00 175.10 174.84 1ucl s VAL 36 N -2.69 2.90 -0.30 1.32 1.01 -1.26 -1.22 120.40 120.15 1ucl s VAL 36 Ca 0.63 0.86 -0.13 0.00 0.00 0.00 0.00 61.98 63.33 1ucl s VAL 36 Cb -0.17 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 1ucl s VAL 36 CO 0.48 0.18 0.26 0.12 0.00 0.00 0.00 175.10 176.15 1ucl s PHE 37 N -0.81 3.23 0.00 5.22 5.36 0.30 -4.76 117.98 126.52 1ucl s PHE 37 Ca 0.51 0.09 0.26 0.00 -0.96 0.00 0.00 56.93 56.83 1ucl s PHE 37 Cb -0.38 -2.48 0.87 0.00 -0.34 0.00 0.00 43.02 40.69 1ucl s PHE 37 CO 0.48 -0.25 1.80 1.96 -1.46 0.00 0.00 175.22 177.75 1ucl h GLN 38 N 8.37 0.00 -6.06 10.12 4.20 -1.94 -3.40 115.11 126.40 1ucl h GLN 38 Ca -0.33 0.00 -0.42 0.00 0.06 0.00 0.00 58.65 57.96 1ucl h GLN 38 Cb 1.17 0.00 0.06 0.00 0.30 0.00 0.00 27.48 29.01 1ucl h GLN 38 CO 0.60 0.15 -0.79 -1.71 -0.67 0.00 0.00 178.83 176.41 1ucl n ASN 39 N -3.24 -2.70 0.27 1.46 5.15 -1.26 -4.86 115.26 110.07 1ucl n ASN 39 Ca 0.01 -0.75 0.13 0.00 -0.60 0.00 0.00 54.58 53.37 1ucl n ASN 39 Cb 0.44 -4.26 0.82 0.00 -0.53 0.00 0.00 39.78 36.24 1ucl n ASN 39 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 1ucl h ARG 40 N -2.01 0.00 -0.56 1.20 3.08 -2.00 -2.06 114.38 112.02 1ucl h ARG 40 Ca -0.60 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.45 1ucl h ARG 40 Cb 1.36 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.41 1ucl h ARG 40 CO 0.58 0.00 0.00 0.39 -1.07 0.00 0.00 179.97 179.87 1ucl n GLU 41 N -4.08 2.41 -2.55 0.04 4.71 -1.26 -4.95 120.64 114.97 1ucl n GLU 41 Ca -0.02 -2.19 -0.16 0.00 -0.01 0.00 0.00 57.16 54.78 1ucl n GLU 41 Cb 0.11 -1.48 -0.00 0.00 -1.01 0.00 0.00 31.44 29.06 1ucl n GLU 41 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 1ucl n SER 42 N 1.30 -4.51 -0.10 1.62 7.64 -0.78 -4.86 113.62 113.94 1ucl n SER 42 Ca 0.20 0.07 -0.12 0.00 1.01 0.00 0.00 58.87 60.03 1ucl n SER 42 Cb 0.53 -3.78 -0.04 0.00 -1.01 0.00 0.00 64.21 59.90 1ucl n SER 42 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1ucl h VAL 43 N -0.17 1.30 -3.30 0.44 2.07 -1.93 -3.38 116.25 111.28 1ucl h VAL 43 Ca -0.37 -1.23 -0.48 0.00 0.82 0.00 0.00 66.70 65.45 1ucl h VAL 43 Cb 1.27 1.50 0.04 0.00 -1.52 0.00 0.00 31.29 32.57 1ucl h VAL 43 CO 0.43 0.39 0.05 -0.76 0.02 0.00 0.00 177.57 177.70 1ucl s LEU 44 N -9.19 3.53 0.40 2.57 1.43 -1.26 -0.48 118.68 115.67 1ucl s LEU 44 Ca -0.13 0.64 -0.25 0.00 -1.03 0.00 0.00 54.13 53.35 1ucl s LEU 44 Cb 0.08 -3.52 -0.11 0.00 0.03 0.00 0.00 46.19 42.67 1ucl s LEU 44 CO 0.79 -0.75 1.07 -2.65 0.23 0.00 0.00 176.35 175.04 1ucl n PRO 45 N -2.28 1.49 -2.10 1.29 -0.02 -1.26 -4.87 135.00 127.24 1ucl n PRO 45 Ca 0.02 0.53 -0.42 0.00 -2.02 0.00 0.00 63.50 61.61 1ucl n PRO 45 Cb 0.57 -2.09 -0.03 0.00 -0.02 0.00 0.00 33.50 31.93 1ucl n PRO 45 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1ucl s THR 46 N -1.23 3.32 0.21 3.45 2.01 -1.26 -5.00 115.64 117.14 1ucl s THR 46 Ca 0.62 0.83 -0.03 0.00 0.31 0.00 0.00 61.69 63.42 1ucl s THR 46 Cb -0.57 -3.53 -0.03 0.00 0.01 0.00 0.00 72.50 68.38 1ucl s THR 46 CO 0.58 0.02 0.18 -1.10 -0.69 0.00 0.00 174.62 173.61 1ucl s GLN 47 N 2.01 1.25 0.66 4.92 -1.52 -1.26 -5.15 119.66 120.57 1ucl s GLN 47 Ca 0.67 -1.56 -0.16 0.00 -1.95 0.00 0.00 55.36 52.36 1ucl s GLN 47 Cb -0.36 0.30 -0.00 0.00 -0.22 0.00 0.00 33.01 32.73 1ucl s GLN 47 CO 0.29 -0.43 1.15 -1.12 -0.25 0.00 0.00 175.29 174.93 1ucl s SER 48 N -3.13 4.96 0.26 5.90 0.01 -1.26 -4.93 113.70 115.51 1ucl s SER 48 Ca 0.36 2.16 -0.31 0.00 1.31 0.00 0.00 55.95 59.47 1ucl s SER 48 Cb 0.06 -2.57 -0.11 0.00 0.21 0.00 0.00 66.02 63.60 1ucl s SER 48 CO 0.11 -1.74 1.62 -0.47 0.41 0.00 0.00 173.24 173.17 1ucl s TYR 49 N -2.10 2.81 0.00 2.43 6.14 -1.26 -2.16 117.35 123.21 1ucl s TYR 49 Ca 0.71 0.67 0.00 0.00 0.64 0.00 0.00 57.07 59.09 1ucl s TYR 49 Cb -0.24 -4.07 0.00 0.00 0.42 0.00 0.00 41.96 38.07 1ucl s TYR 49 CO 0.40 -3.74 0.00 0.41 0.64 0.00 0.00 175.55 173.26 1ucl n GLY 50 N 2.70 0.34 0.20 8.97 0.00 -1.26 -4.94 105.19 111.19 1ucl n GLY 50 Ca 0.10 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.05 1ucl n GLY 50 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1ucl h TYR 51 N 0.00 0.55 -3.30 1.61 5.03 -1.77 -3.44 116.97 115.65 1ucl h TYR 51 Ca 0.00 -0.19 -0.67 0.00 2.58 0.00 0.00 58.73 60.45 1ucl h TYR 51 Cb 0.00 -0.11 -0.13 0.00 1.55 0.00 0.00 36.73 38.04 1ucl h TYR 51 CO 0.00 0.88 -0.62 0.71 -1.32 0.00 0.00 178.16 177.80 1ucl s TYR 52 N -3.98 3.14 0.06 -3.82 2.02 -1.26 -3.62 117.35 109.88 1ucl s TYR 52 Ca -0.06 0.14 0.04 0.00 -0.37 0.00 0.00 57.07 56.82 1ucl s TYR 52 Cb 0.12 -1.72 -0.03 0.00 -0.40 0.00 0.00 41.96 39.93 1ucl s TYR 52 CO 0.82 0.48 -0.12 -1.01 -1.57 0.00 0.00 175.55 174.15 1ucl s HIS 53 N -1.03 1.02 0.07 2.71 3.76 -0.91 -0.53 115.29 120.37 1ucl s HIS 53 Ca 0.18 -0.46 0.08 0.00 -0.15 0.00 0.00 55.06 54.71 1ucl s HIS 53 Cb -0.12 -0.58 -0.04 0.00 1.11 0.00 0.00 32.58 32.96 1ucl s HIS 53 CO 0.08 0.01 -0.20 -1.83 -0.85 0.00 0.00 174.74 171.95 1ucl s GLU 54 N -1.62 1.89 0.02 1.40 -1.05 -0.36 -0.53 118.70 118.44 1ucl s GLU 54 Ca -0.04 -1.09 0.02 0.00 -0.15 0.00 0.00 54.97 53.70 1ucl s GLU 54 Cb -0.10 -2.12 -0.01 0.00 -0.44 0.00 0.00 34.13 31.46 1ucl s GLU 54 CO 0.02 0.51 -0.06 0.71 0.95 0.00 0.00 175.26 177.39 1ucl s TYR 55 N -1.00 0.49 0.31 4.83 1.51 -0.27 -0.22 117.35 123.00 1ucl s TYR 55 Ca 0.15 -0.27 -0.28 0.00 -1.01 0.00 0.00 57.07 55.66 1ucl s TYR 55 Cb -0.10 -0.31 -0.09 0.00 -0.11 0.00 0.00 41.96 41.35 1ucl s TYR 55 CO 0.07 -0.05 1.11 0.99 -1.11 0.00 0.00 175.55 176.56 1ucl s THR 56 N -0.69 3.45 -0.31 -0.71 2.01 -1.26 -1.31 115.64 116.81 1ucl s THR 56 Ca -0.04 1.37 0.02 0.00 0.31 0.00 0.00 61.69 63.36 1ucl s THR 56 Cb -0.05 -3.84 0.08 0.00 0.01 0.00 0.00 72.50 68.69 1ucl s THR 56 CO -0.00 0.27 -0.00 -0.89 -0.69 0.00 0.00 174.62 173.30 1ucl s THR 57 N -1.27 2.39 0.24 -0.82 2.01 -0.58 -4.75 115.64 112.87 1ucl s THR 57 Ca 0.48 -1.96 -0.31 0.00 0.31 0.00 0.00 61.69 60.21 1ucl s THR 57 Cb -0.31 -2.58 -0.14 0.00 0.01 0.00 0.00 72.50 69.48 1ucl s THR 57 CO 0.39 -0.34 1.28 -0.38 -0.69 0.00 0.00 174.62 174.88 1ucl n ILE 58 N 4.38 1.18 -3.76 1.82 5.41 -1.26 -4.40 119.36 122.73 1ucl n ILE 58 Ca -0.05 -0.30 -0.37 0.00 1.00 0.00 0.00 62.75 63.03 1ucl n ILE 58 Cb 0.42 -1.25 -0.12 0.00 -0.71 0.00 0.00 39.64 37.98 1ucl n ILE 58 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 1ucl s THR 59 N -0.33 3.56 0.28 1.39 2.01 -1.26 -4.76 115.64 116.52 1ucl s THR 59 Ca 0.67 -1.48 -0.30 0.00 0.31 0.00 0.00 61.69 60.89 1ucl s THR 59 Cb -0.70 -3.16 -0.12 0.00 0.01 0.00 0.00 72.50 68.53 1ucl s THR 59 CO 0.53 -0.36 1.53 -2.65 -0.69 0.00 0.00 174.62 172.98 1ucl n PRO 60 N 4.73 2.51 0.00 4.92 -0.02 -1.26 -2.10 135.00 143.78 1ucl n PRO 60 Ca -0.10 0.89 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 1ucl n PRO 60 Cb 0.43 -2.63 0.00 0.00 -0.02 0.00 0.00 33.50 31.28 1ucl n PRO 60 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ucl n GLY 61 N 2.05 3.19 3.76 -1.23 0.00 -1.26 -5.04 105.19 106.66 1ucl n GLY 61 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 1ucl n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ucl s ALA 62 N -2.37 3.36 -0.84 4.61 0.00 -0.89 -4.93 121.76 120.70 1ucl s ALA 62 Ca 0.00 0.94 0.25 0.00 0.00 0.00 0.00 51.96 53.15 1ucl s ALA 62 Cb 0.00 -3.35 0.57 0.00 0.00 0.00 0.00 23.12 20.34 1ucl s ALA 62 CO 0.00 -0.27 1.48 2.89 0.00 0.00 0.00 175.76 179.86 1ucl n ARG 63 N 0.90 0.13 -2.38 0.00 1.85 -1.26 -4.88 116.66 111.01 1ucl n ARG 63 Ca 0.00 0.05 -0.08 0.00 -1.00 0.00 0.00 57.85 56.82 1ucl n ARG 63 Cb 0.45 -1.59 -0.01 0.00 -1.05 0.00 0.00 32.46 30.26 1ucl n ARG 63 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 1ucl n THR 64 N -1.78 0.00 0.52 8.89 -2.24 -1.26 -4.98 114.28 113.42 1ucl n THR 64 Ca 0.05 -0.66 0.07 0.00 -2.27 0.00 0.00 64.05 61.23 1ucl n THR 64 Cb 0.38 -0.20 0.31 0.00 -2.10 0.00 0.00 70.33 68.72 1ucl n THR 64 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1ucl n ARG 65 N -0.71 0.05 0.00 -0.78 1.74 -1.26 -4.90 116.66 110.79 1ucl n ARG 65 Ca -0.03 0.24 0.00 0.00 -0.77 0.00 0.00 57.85 57.29 1ucl n ARG 65 Cb 0.19 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.13 1ucl n ARG 65 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ucl n GLY 66 N -0.09 -2.08 0.38 -0.13 0.00 -1.26 -4.58 105.19 97.44 1ucl n GLY 66 Ca 0.04 -1.45 0.03 0.00 0.00 0.00 0.00 46.02 44.64 1ucl n GLY 66 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ucl n THR 67 N 0.00 0.96 -3.91 2.61 -2.24 -1.26 -4.93 114.28 105.51 1ucl n THR 67 Ca 0.00 -0.98 -0.35 0.00 -2.27 0.00 0.00 64.05 60.45 1ucl n THR 67 Cb 0.00 0.52 -0.09 0.00 -2.10 0.00 0.00 70.33 68.66 1ucl n THR 67 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1ucl s ARG 68 N -0.98 4.03 0.11 -0.78 0.52 -1.26 -0.95 118.95 119.64 1ucl s ARG 68 Ca 0.14 -0.30 -0.12 0.00 -0.52 0.00 0.00 55.73 54.94 1ucl s ARG 68 Cb 0.07 -3.28 0.01 0.00 0.52 0.00 0.00 34.95 32.27 1ucl s ARG 68 CO 0.09 0.30 0.28 1.03 0.02 0.00 0.00 175.30 177.02 1ucl s ARG 69 N 0.32 0.94 -0.14 3.54 1.81 -0.40 -1.52 118.95 123.51 1ucl s ARG 69 Ca 0.05 -0.87 0.02 0.00 -1.72 0.00 0.00 55.73 53.22 1ucl s ARG 69 Cb -0.12 0.39 0.01 0.00 -0.45 0.00 0.00 34.95 34.79 1ucl s ARG 69 CO -0.01 -0.33 -0.20 0.42 -0.68 0.00 0.00 175.30 174.50 1ucl s ILE 70 N -3.84 1.91 -0.17 1.52 1.01 -0.43 -1.16 121.20 120.04 1ucl s ILE 70 Ca 0.04 -0.88 -0.05 0.00 0.00 0.00 0.00 60.65 59.76 1ucl s ILE 70 Cb 0.04 -1.70 -0.03 0.00 0.01 0.00 0.00 42.46 40.77 1ucl s ILE 70 CO -0.11 0.52 0.00 -0.63 0.00 0.00 0.00 174.94 174.72 1ucl s ILE 71 N 0.91 4.18 0.06 2.92 1.09 0.10 -1.12 121.20 129.35 1ucl s ILE 71 Ca -0.06 -0.25 -0.02 0.00 -1.10 0.00 0.00 60.65 59.22 1ucl s ILE 71 Cb -0.15 -2.86 -0.04 0.00 -1.06 0.00 0.00 42.46 38.34 1ucl s ILE 71 CO -0.03 0.47 0.25 0.42 -0.10 0.00 0.00 174.94 175.95 1ucl s THR 72 N 0.51 5.34 0.48 2.92 -4.23 0.31 -0.06 115.64 120.91 1ucl s THR 72 Ca -0.01 -0.19 0.05 0.00 -1.18 0.00 0.00 61.69 60.36 1ucl s THR 72 Cb -0.14 -3.61 -0.02 0.00 1.34 0.00 0.00 72.50 70.08 1ucl s THR 72 CO 0.02 0.18 0.18 -0.83 -0.54 0.00 0.00 174.62 173.63 1ucl s GLY 73 N -2.30 2.57 0.33 3.99 0.00 0.57 -2.15 107.32 110.33 1ucl s GLY 73 Ca 0.34 -1.36 0.24 0.00 0.00 0.00 0.00 44.72 43.94 1ucl s GLY 73 CO 0.24 -2.02 1.65 0.83 0.00 0.00 0.00 173.10 173.80 1ucl h GLU 74 N 1.23 0.00 -7.17 2.90 5.08 -1.85 -3.43 114.58 111.34 1ucl h GLU 74 Ca -0.41 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 57.45 1ucl h GLU 74 Cb 1.28 0.00 0.07 0.00 0.50 0.00 0.00 28.75 30.61 1ucl h GLU 74 CO 0.68 0.00 0.38 0.00 -1.00 0.00 0.00 179.01 179.08 1ucl s ALA 75 N -3.17 2.67 0.09 3.43 0.00 -1.26 -4.93 121.76 118.59 1ucl s ALA 75 Ca 0.08 0.50 -0.32 0.00 0.00 0.00 0.00 51.96 52.23 1ucl s ALA 75 Cb 0.08 -3.27 -0.11 0.00 0.00 0.00 0.00 23.12 19.82 1ucl s ALA 75 CO 0.65 -0.89 1.83 2.41 0.00 0.00 0.00 175.76 179.76 1ucl n THR 76 N -1.96 0.39 -1.74 0.00 -1.04 -1.26 -1.41 114.28 107.26 1ucl n THR 76 Ca 0.10 -0.07 -0.19 0.00 -2.04 0.00 0.00 64.05 61.85 1ucl n THR 76 Cb 0.52 -2.04 -0.06 0.00 -1.82 0.00 0.00 70.33 66.93 1ucl n THR 76 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ucl n GLN 77 N 5.72 -1.34 -2.71 -2.82 6.02 -1.26 -4.90 117.38 116.08 1ucl n GLN 77 Ca 0.19 1.10 -0.42 0.00 -0.01 0.00 0.00 57.00 57.85 1ucl n GLN 77 Cb 0.36 -5.45 -0.02 0.00 1.02 0.00 0.00 30.24 26.15 1ucl n GLN 77 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1ucl s GLU 78 N -3.91 3.69 -0.10 -1.09 2.12 -0.50 -4.87 118.70 114.04 1ucl s GLU 78 Ca 0.00 -1.56 0.01 0.00 0.36 0.00 0.00 54.97 53.78 1ucl s GLU 78 Cb 0.00 -5.22 0.02 0.00 0.26 0.00 0.00 34.13 29.18 1ucl s GLU 78 CO 0.00 -2.04 -0.12 -0.51 -0.54 0.00 0.00 175.26 172.04 1ucl s ASP 79 N 4.28 2.20 -0.07 -1.70 1.01 -1.26 -0.32 116.67 120.81 1ucl s ASP 79 Ca 0.43 -0.36 0.01 0.00 0.71 0.00 0.00 52.55 53.33 1ucl s ASP 79 Cb -0.01 -0.96 -0.03 0.00 1.01 0.00 0.00 42.92 42.93 1ucl s ASP 79 CO -0.07 -0.02 -0.08 -0.31 0.21 0.00 0.00 175.17 174.90 1ucl s TYR 80 N 1.10 2.89 -0.10 4.23 2.02 0.91 -0.71 117.35 127.69 1ucl s TYR 80 Ca -0.05 -0.05 -0.01 0.00 -0.37 0.00 0.00 57.07 56.59 1ucl s TYR 80 Cb -0.14 -1.71 -0.03 0.00 -0.40 0.00 0.00 41.96 39.68 1ucl s TYR 80 CO -0.02 0.27 -0.07 -0.47 -1.57 0.00 0.00 175.55 173.69 1ucl s TYR 81 N -0.70 2.95 -0.02 2.71 5.04 0.31 0.01 117.35 127.64 1ucl s TYR 81 Ca 0.11 -0.17 0.04 0.00 -2.44 0.00 0.00 57.07 54.61 1ucl s TYR 81 Cb -0.11 -1.81 -0.01 0.00 0.35 0.00 0.00 41.96 40.38 1ucl s TYR 81 CO 0.01 0.14 -0.15 -0.08 -1.34 0.00 0.00 175.55 174.14 1ucl s THR 82 N -0.28 1.19 -0.33 4.34 -1.32 -0.31 -1.62 115.64 117.32 1ucl s THR 82 Ca 0.04 -0.61 0.03 0.00 -1.21 0.00 0.00 61.69 59.93 1ucl s THR 82 Cb -0.13 -1.01 0.02 0.00 -1.51 0.00 0.00 72.50 69.87 1ucl s THR 82 CO 0.02 0.34 0.54 0.61 -2.21 0.00 0.00 174.62 173.93 1ucl n GLY 83 N 2.94 -1.04 2.13 6.08 0.00 -1.26 -1.27 105.19 112.77 1ucl n GLY 83 Ca -0.16 -0.08 -0.22 0.00 0.00 0.00 0.00 46.02 45.56 1ucl n GLY 83 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ucl n ASP 84 N 0.05 4.60 -3.53 1.61 5.68 -1.20 -4.45 116.55 119.31 1ucl n ASP 84 Ca 0.02 -3.59 -0.23 0.00 -0.50 0.00 0.00 54.79 50.49 1ucl n ASP 84 Cb 0.07 -0.36 0.05 0.00 -1.14 0.00 0.00 41.12 39.74 1ucl n ASP 84 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 1ucl n HIS 85 N -0.68 -2.11 -0.89 2.11 -0.00 -0.12 -2.73 115.22 110.79 1ucl n HIS 85 Ca 0.40 0.72 0.00 0.00 -0.00 0.00 0.00 57.72 58.84 1ucl n HIS 85 Cb 0.93 -4.01 0.00 0.00 -0.00 0.00 0.00 29.99 26.91 1ucl n HIS 85 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1ucl n TYR 86 N -3.89 0.00 -0.07 1.57 4.01 -1.26 -4.89 117.16 112.63 1ucl n TYR 86 Ca -0.15 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.46 1ucl n TYR 86 Cb 0.63 -0.77 -0.05 0.00 -0.31 0.00 0.00 39.34 38.84 1ucl n TYR 86 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1ucl h ALA 87 N 0.00 0.31 -2.68 -0.72 0.00 -1.92 -3.46 119.26 110.79 1ucl h ALA 87 Ca 0.00 -0.32 -0.25 0.00 0.00 0.00 0.00 54.91 54.34 1ucl h ALA 87 Cb 0.22 -0.07 -0.18 0.00 0.00 0.00 0.00 17.79 17.76 1ucl h ALA 87 CO 0.00 0.19 -0.71 0.95 0.00 0.00 0.00 179.25 179.68 1ucl s THR 88 N -4.47 0.61 0.05 0.00 -4.23 -1.26 -5.03 115.64 101.30 1ucl s THR 88 Ca -0.13 -1.52 0.02 0.00 -1.18 0.00 0.00 61.69 58.87 1ucl s THR 88 Cb 0.07 -1.16 -0.03 0.00 1.34 0.00 0.00 72.50 72.72 1ucl s THR 88 CO 0.77 -0.64 -0.08 -0.36 -0.54 0.00 0.00 174.62 173.78 1ucl s PHE 89 N -2.55 0.67 -0.02 3.99 0.40 -1.26 -4.39 117.98 114.82 1ucl s PHE 89 Ca 0.01 -0.54 0.03 0.00 -0.60 0.00 0.00 56.93 55.83 1ucl s PHE 89 Cb -0.02 -0.40 -0.00 0.00 0.51 0.00 0.00 43.02 43.10 1ucl s PHE 89 CO -0.02 -0.10 -0.12 -1.12 0.70 0.00 0.00 175.22 174.56 1ucl s SER 90 N -1.71 1.45 -0.01 1.36 0.01 -0.64 0.28 113.70 114.43 1ucl s SER 90 Ca -0.08 -0.23 -0.30 0.00 1.31 0.00 0.00 55.95 56.65 1ucl s SER 90 Cb -0.09 -0.28 -0.04 0.00 0.21 0.00 0.00 66.02 65.83 1ucl s SER 90 CO -0.00 0.12 1.16 -0.22 0.41 0.00 0.00 173.24 174.71 1ucl s LEU 91 N -0.06 4.32 0.05 2.44 2.96 0.01 -0.53 118.68 127.86 1ucl s LEU 91 Ca 0.01 1.85 -0.30 0.00 -0.22 0.00 0.00 54.13 55.46 1ucl s LEU 91 Cb -0.07 -3.57 -0.05 0.00 0.50 0.00 0.00 46.19 43.01 1ucl s LEU 91 CO 0.00 -0.50 1.07 -0.63 -1.32 0.00 0.00 176.35 174.97 1ucl s ILE 92 N 1.68 4.46 -0.43 6.68 1.01 0.11 -0.44 121.20 134.28 1ucl s ILE 92 Ca 0.56 1.81 -0.09 0.00 0.00 0.00 0.00 60.65 62.93 1ucl s ILE 92 Cb -0.25 -4.16 0.09 0.00 0.01 0.00 0.00 42.46 38.14 1ucl s ILE 92 CO 0.25 0.17 0.28 -0.62 0.00 0.00 0.00 174.94 175.02 1ucl s ASP 93 N 0.85 5.64 0.00 3.58 -1.08 0.80 -4.77 116.67 121.69 1ucl s ASP 93 Ca 0.54 -1.63 0.26 0.00 -0.52 0.00 0.00 52.55 51.19 1ucl s ASP 93 Cb -0.25 -1.99 1.47 0.00 -1.46 0.00 0.00 42.92 40.69 1ucl s ASP 93 CO 0.29 -0.58 1.88 0.00 0.52 0.00 0.00 175.17 177.29 1ucl n GLN 94 N 4.90 0.69 0.00 4.34 6.02 -1.26 -1.49 117.38 130.58 1ucl n GLN 94 Ca -0.09 0.01 0.13 0.00 -0.01 0.00 0.00 57.00 57.04 1ucl n GLN 94 Cb 0.42 -1.50 0.31 0.00 1.02 0.00 0.00 30.24 30.49 1ucl n GLN 94 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1ucl n THR 95 N -1.08 0.00 -0.90 5.09 -2.24 -1.26 -4.86 114.28 109.03 1ucl n THR 95 Ca 0.17 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1ucl n THR 95 Cb 0.12 0.85 0.00 0.00 -2.10 0.00 0.00 70.33 69.20 1ucl n THR 95 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50