#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ucv s SER 2 N 0.00 0.90 -0.09 1.61 0.15 -1.26 -5.04 113.70 109.96 1ucv s SER 2 Ca 0.00 -0.03 -0.23 0.00 0.70 0.00 0.00 55.95 56.39 1ucv s SER 2 Cb 0.00 -0.28 -0.28 0.00 -1.71 0.00 0.00 66.02 63.74 1ucv s SER 2 CO 0.00 -0.15 0.76 0.28 1.20 0.00 0.00 173.24 175.33 1ucv h SER 3 N 7.74 0.29 -0.24 5.45 0.02 -2.07 -3.43 113.55 121.32 1ucv h SER 3 Ca -0.31 -0.92 -0.25 0.00 -0.84 0.00 0.00 61.79 59.47 1ucv h SER 3 Cb 1.13 -0.10 -0.21 0.00 0.14 0.00 0.00 62.40 63.36 1ucv h SER 3 CO 0.36 1.32 -0.56 0.61 -1.14 0.00 0.00 176.83 177.43 1ucv n GLY 4 N 1.65 1.41 3.32 -3.77 0.00 -1.26 -4.76 105.19 101.77 1ucv n GLY 4 Ca -0.16 -0.41 -0.32 0.00 0.00 0.00 0.00 46.02 45.13 1ucv n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ucv s SER 5 N -1.69 3.41 -0.53 1.61 0.15 -1.26 -5.09 113.70 110.31 1ucv s SER 5 Ca 0.23 -0.43 -0.28 0.00 0.70 0.00 0.00 55.95 56.17 1ucv s SER 5 Cb 0.42 -1.07 0.03 0.00 -1.71 0.00 0.00 66.02 63.69 1ucv s SER 5 CO -0.06 0.23 1.11 -0.55 1.20 0.00 0.00 173.24 175.18 1ucv s SER 6 N -0.09 6.50 -0.46 5.45 0.15 -1.26 -4.85 113.70 119.15 1ucv s SER 6 Ca -0.05 0.17 0.06 0.00 0.70 0.00 0.00 55.95 56.84 1ucv s SER 6 Cb -0.14 -2.53 0.30 0.00 -1.71 0.00 0.00 66.02 61.94 1ucv s SER 6 CO 0.04 -1.33 1.09 0.61 1.20 0.00 0.00 173.24 174.85 1ucv n GLY 7 N 4.99 0.38 3.38 9.45 0.00 -1.26 -5.02 105.19 117.09 1ucv n GLY 7 Ca 0.09 0.09 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 1ucv n GLY 7 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1ucv n LEU 8 N 0.64 0.00 -4.74 0.99 -0.00 -1.26 -5.13 117.00 107.50 1ucv n LEU 8 Ca 0.06 -2.92 -0.32 0.00 -0.00 0.00 0.00 56.01 52.83 1ucv n LEU 8 Cb 0.69 0.30 -0.07 0.00 -0.00 0.00 0.00 43.42 44.33 1ucv n LEU 8 CO 0.03 -0.43 -0.28 0.28 -0.00 0.00 0.00 177.39 176.99 1ucv s THR 9 N -2.68 4.43 0.57 1.47 -1.32 -1.26 -4.10 115.64 112.74 1ucv s THR 9 Ca 0.03 -0.66 0.27 0.00 -1.21 0.00 0.00 61.69 60.12 1ucv s THR 9 Cb -0.00 -3.06 0.39 0.00 -1.51 0.00 0.00 72.50 68.31 1ucv s THR 9 CO 0.02 0.25 1.23 0.52 -2.21 0.00 0.00 174.62 174.43 1ucv n VAL 10 N 0.90 0.00 -0.03 5.08 0.31 -1.23 0.69 118.33 124.05 1ucv n VAL 10 Ca -0.11 1.20 -0.12 0.00 -0.01 0.00 0.00 64.34 65.29 1ucv n VAL 10 Cb 0.52 -2.13 -0.10 0.00 -0.91 0.00 0.00 33.84 31.22 1ucv n VAL 10 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1ucv h GLY 11 N 0.00 -0.05 -0.07 2.92 0.00 -1.90 -2.71 103.07 101.26 1ucv h GLY 11 Ca 0.50 0.02 0.04 0.00 0.00 0.00 0.00 47.33 47.88 1ucv h GLY 11 CO -0.01 -0.02 -0.48 -0.55 0.00 0.00 0.00 176.54 175.49 1ucv h ASP 12 N -0.84 -1.52 0.40 0.19 5.19 -0.12 0.35 116.42 120.07 1ucv h ASP 12 Ca -0.00 0.19 -0.01 0.00 -0.62 0.00 0.00 57.03 56.58 1ucv h ASP 12 Cb 0.70 0.61 -0.01 0.00 0.18 0.00 0.00 39.33 40.81 1ucv h ASP 12 CO 0.01 -0.46 -0.33 -0.25 -3.12 0.00 0.00 179.24 175.09 1ucv h TRP 13 N -0.53 -0.90 -0.93 4.55 7.01 -1.67 -2.58 115.95 120.90 1ucv h TRP 13 Ca 0.06 0.00 0.27 0.00 2.11 0.00 0.00 58.89 61.33 1ucv h TRP 13 Cb 0.66 0.34 -0.15 0.00 -2.10 0.00 0.00 29.16 27.91 1ucv h TRP 13 CO -0.54 -0.46 0.36 -0.07 -2.79 0.00 0.00 178.44 174.94 1ucv h LEU 14 N -0.71 0.18 -0.86 0.65 3.38 -1.31 0.42 115.31 117.06 1ucv h LEU 14 Ca -0.05 0.20 0.17 0.00 0.09 0.00 0.00 57.88 58.28 1ucv h LEU 14 Cb 0.59 0.23 -0.10 0.00 0.09 0.00 0.00 40.66 41.47 1ucv h LEU 14 CO -0.00 -0.16 0.43 -0.78 0.09 0.00 0.00 178.44 178.02 1ucv h ASP 15 N 0.24 0.47 -0.93 -0.43 3.58 0.09 0.29 116.42 119.74 1ucv h ASP 15 Ca 0.63 0.11 0.15 0.00 0.42 0.00 0.00 57.03 58.34 1ucv h ASP 15 Cb 1.34 0.04 -0.09 0.00 1.72 0.00 0.00 39.33 42.34 1ucv h ASP 15 CO -0.65 0.16 0.54 -1.28 -2.88 0.00 0.00 179.24 175.13 1ucv h SER 16 N 0.56 0.71 -0.50 2.28 0.87 0.06 0.28 113.55 117.82 1ucv h SER 16 Ca 0.49 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 61.13 1ucv h SER 16 Cb 0.77 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.68 1ucv h SER 16 CO -0.41 0.31 0.00 2.30 -0.53 0.00 0.00 176.83 178.50 1ucv n ILE 17 N -4.77 2.06 -2.91 2.23 -5.35 0.09 -4.90 119.36 105.81 1ucv n ILE 17 Ca 0.19 -1.10 -0.21 0.00 -0.27 0.00 0.00 62.75 61.36 1ucv n ILE 17 Cb 0.45 -0.21 0.01 0.00 -1.74 0.00 0.00 39.64 38.15 1ucv n ILE 17 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1ucv n ARG 18 N 0.64 -3.57 0.00 6.28 1.74 0.99 -4.83 116.66 117.90 1ucv n ARG 18 Ca 0.23 0.77 0.03 0.00 -0.77 0.00 0.00 57.85 58.10 1ucv n ARG 18 Cb 0.96 -5.52 0.01 0.00 -1.02 0.00 0.00 32.46 26.89 1ucv n ARG 18 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 1ucv n MET 19 N -3.59 1.00 0.02 5.56 2.81 0.80 -4.64 117.12 119.08 1ucv n MET 19 Ca -0.12 -0.67 0.22 0.00 -1.81 0.00 0.00 57.70 55.33 1ucv n MET 19 Cb 0.61 -1.03 0.70 0.00 -0.71 0.00 0.00 33.22 32.78 1ucv n MET 19 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 1ucv h GLY 20 N 1.17 0.00 1.65 3.03 0.00 -1.74 0.26 103.07 107.45 1ucv h GLY 20 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.37 1ucv h GLY 20 CO 0.00 0.00 0.14 0.07 0.00 0.00 0.00 176.54 176.75 1ucv h ARG 21 N 0.00 0.00 0.00 4.80 0.11 -1.90 0.29 114.38 117.67 1ucv h ARG 21 Ca 0.26 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.34 1ucv h ARG 21 Cb 1.45 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.53 1ucv h ARG 21 CO -0.00 0.00 -0.46 0.66 0.10 0.00 0.00 179.97 180.27 1ucv n TYR 22 N -3.89 0.06 -0.39 4.08 4.01 0.91 -4.34 117.16 117.60 1ucv n TYR 22 Ca 0.00 0.02 -0.07 0.00 -0.16 0.00 0.00 57.90 57.69 1ucv n TYR 22 Cb 0.25 -0.32 -0.05 0.00 -0.31 0.00 0.00 39.34 38.92 1ucv n TYR 22 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 1ucv n ARG 23 N -1.56 -0.35 -0.40 -0.72 0.63 0.10 0.13 116.66 114.49 1ucv n ARG 23 Ca 0.05 1.46 0.34 0.00 -0.92 0.00 0.00 57.85 58.78 1ucv n ARG 23 Cb 0.35 -2.15 0.62 0.00 0.45 0.00 0.00 32.46 31.72 1ucv n ARG 23 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 1ucv h ASP 24 N 0.00 0.29 0.97 6.15 5.19 -1.76 0.10 116.42 127.36 1ucv h ASP 24 Ca 0.22 0.18 -0.05 0.00 -0.62 0.00 0.00 57.03 56.76 1ucv h ASP 24 Cb 0.46 0.17 0.01 0.00 0.18 0.00 0.00 39.33 40.15 1ucv h ASP 24 CO -0.92 -0.26 -0.46 0.45 -3.12 0.00 0.00 179.24 174.93 1ucv h HIS 25 N 0.08 -1.20 -0.86 4.55 3.86 0.84 -2.96 115.15 119.45 1ucv h HIS 25 Ca 0.83 -0.03 0.22 0.00 -1.16 0.00 0.00 60.37 60.23 1ucv h HIS 25 Cb 2.42 0.40 -0.15 0.00 1.06 0.00 0.00 27.41 31.14 1ucv h HIS 25 CO -0.01 -0.75 0.11 0.74 0.86 0.00 0.00 177.93 178.89 1ucv h PHE 26 N -1.35 0.13 -0.69 2.45 -1.00 -0.70 0.93 116.94 116.71 1ucv h PHE 26 Ca -0.13 0.06 0.16 0.00 2.81 0.00 0.00 57.97 60.86 1ucv h PHE 26 Cb 0.99 0.08 -0.04 0.00 3.61 0.00 0.00 35.95 40.60 1ucv h PHE 26 CO -0.00 -0.27 0.47 0.00 -1.61 0.00 0.00 178.31 176.90 1ucv h ALA 27 N 1.80 2.28 -0.04 2.45 0.00 -0.78 0.24 119.26 125.21 1ucv h ALA 27 Ca 0.52 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 55.17 1ucv h ALA 27 Cb 1.02 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.80 1ucv h ALA 27 CO -0.72 -0.47 -0.96 0.00 0.00 0.00 0.00 179.25 177.10 1ucv h ALA 28 N 1.67 0.22 0.00 0.00 0.00 0.10 -3.09 119.26 118.16 1ucv h ALA 28 Ca 0.34 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1ucv h ALA 28 Cb 0.95 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1ucv h ALA 28 CO -0.08 0.71 0.00 0.41 0.00 0.00 0.00 179.25 180.29 1ucv n GLY 29 N 0.96 -0.69 0.85 0.00 0.00 -0.25 -4.79 105.19 101.26 1ucv n GLY 29 Ca -0.09 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1ucv n GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ucv n GLY 30 N 0.32 0.75 3.08 -0.02 0.00 -0.97 -5.05 105.19 103.30 1ucv n GLY 30 Ca 0.11 -0.32 -0.32 0.00 0.00 0.00 0.00 46.02 45.49 1ucv n GLY 30 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ucv s TYR 31 N -2.00 3.37 -0.00 1.61 2.02 0.68 -4.90 117.35 118.11 1ucv s TYR 31 Ca 0.00 -2.38 0.00 0.00 -0.37 0.00 0.00 57.07 54.32 1ucv s TYR 31 Cb 0.00 -2.17 -0.00 0.00 -0.40 0.00 0.00 41.96 39.39 1ucv s TYR 31 CO 0.00 -0.88 0.00 0.45 -1.57 0.00 0.00 175.55 173.55 1ucv n SER 32 N 4.43 0.20 -4.56 2.29 2.88 -1.26 -1.33 113.62 116.27 1ucv n SER 32 Ca -0.10 -0.48 -0.26 0.00 -1.33 0.00 0.00 58.87 56.70 1ucv n SER 32 Cb 0.42 1.00 -0.11 0.00 -0.75 0.00 0.00 64.21 64.77 1ucv n SER 32 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1ucv s SER 33 N -1.04 3.44 -0.01 -3.46 0.01 -1.26 -3.52 113.70 107.86 1ucv s SER 33 Ca 0.00 -1.34 -0.16 0.00 1.31 0.00 0.00 55.95 55.76 1ucv s SER 33 Cb 0.00 -0.31 -0.33 0.00 0.21 0.00 0.00 66.02 65.59 1ucv s SER 33 CO 0.00 -0.45 0.87 -0.07 0.41 0.00 0.00 173.24 174.00 1ucv h LEU 34 N 1.91 0.69 -1.99 2.44 -0.00 -1.92 -2.97 115.31 113.47 1ucv h LEU 34 Ca -0.43 -0.93 0.32 0.00 -0.00 0.00 0.00 57.88 56.85 1ucv h LEU 34 Cb 1.24 -0.22 -0.05 0.00 -0.00 0.00 0.00 40.66 41.63 1ucv h LEU 34 CO 0.76 1.66 0.80 1.23 -0.00 0.00 0.00 178.44 182.89 1ucv h GLY 35 N 0.14 0.01 0.56 0.83 0.00 -1.95 0.37 103.07 103.03 1ucv h GLY 35 Ca -0.26 -0.00 -0.20 0.00 0.00 0.00 0.00 47.33 46.87 1ucv h GLY 35 CO 0.21 -0.00 -1.78 1.15 0.00 0.00 0.00 176.54 176.13 1ucv n MET 36 N -4.20 0.65 -0.11 4.80 0.00 -1.25 -4.27 117.12 112.73 1ucv n MET 36 Ca 0.24 0.09 -0.13 0.00 0.00 0.00 0.00 57.70 57.91 1ucv n MET 36 Cb 1.17 -1.68 -0.03 0.00 0.00 0.00 0.00 33.22 32.68 1ucv n MET 36 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 1ucv h VAL 37 N 0.00 1.29 -0.08 3.17 2.07 -0.19 -2.78 116.25 119.73 1ucv h VAL 37 Ca -0.24 -1.39 0.02 0.00 0.82 0.00 0.00 66.70 65.92 1ucv h VAL 37 Cb 1.67 1.43 -0.00 0.00 -1.52 0.00 0.00 31.29 32.87 1ucv h VAL 37 CO 0.03 0.45 0.20 -0.07 0.02 0.00 0.00 177.57 178.20 1ucv h LEU 38 N 0.54 0.00 0.00 2.57 -0.00 -1.20 0.38 115.31 117.61 1ucv h LEU 38 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.95 1ucv h LEU 38 Cb 0.80 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.46 1ucv h LEU 38 CO 0.06 0.00 -0.72 0.03 -0.00 0.00 0.00 178.44 177.82 1ucv h ARG 39 N 0.00 0.00 -7.20 1.13 2.47 -1.69 -3.47 114.38 105.62 1ucv h ARG 39 Ca 0.04 0.00 -0.39 0.00 -1.26 0.00 0.00 59.98 58.37 1ucv h ARG 39 Cb 0.43 0.00 0.21 0.00 -1.65 0.00 0.00 29.97 28.96 1ucv h ARG 39 CO -0.00 0.00 -0.01 -1.64 0.56 0.00 0.00 179.97 178.88 1ucv s MET 40 N -3.27 -2.39 0.02 0.04 -1.94 0.13 -5.08 119.30 106.83 1ucv s MET 40 Ca 0.03 -0.03 -0.29 0.00 -1.71 0.00 0.00 55.69 53.70 1ucv s MET 40 Cb 0.10 -1.46 0.10 0.00 2.01 0.00 0.00 34.83 35.58 1ucv s MET 40 CO 0.75 -4.48 1.00 0.54 -0.01 0.00 0.00 175.02 172.81 1ucv s ASN 41 N -3.55 -0.24 0.27 3.03 2.20 -1.26 -4.97 114.94 110.43 1ucv s ASN 41 Ca 0.70 -0.15 0.19 0.00 -0.94 0.00 0.00 52.86 52.66 1ucv s ASN 41 Cb -0.10 0.36 0.94 0.00 -2.00 0.00 0.00 41.25 40.44 1ucv s ASN 41 CO 0.57 -0.62 1.01 0.00 -2.94 0.00 0.00 177.10 175.12 1ucv n ALA 42 N -0.33 0.82 -0.01 3.54 0.00 -1.26 0.24 120.51 123.52 1ucv n ALA 42 Ca -0.07 0.59 -0.12 0.00 0.00 0.00 0.00 53.44 53.85 1ucv n ALA 42 Cb 0.61 -0.68 -0.06 0.00 0.00 0.00 0.00 19.45 19.32 1ucv n ALA 42 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1ucv h GLN 43 N 0.00 0.13 0.05 0.00 -0.00 -2.00 -0.88 115.11 112.42 1ucv h GLN 43 Ca 0.56 -0.02 -0.17 0.00 -0.00 0.00 0.00 58.65 59.02 1ucv h GLN 43 Cb 1.73 -0.02 0.02 0.00 0.00 0.00 0.00 27.48 29.21 1ucv h GLN 43 CO -0.35 0.25 -0.68 -0.44 0.00 0.00 0.00 178.83 177.61 1ucv h ASP 44 N -0.01 0.51 0.04 -0.69 3.32 0.28 -3.26 116.42 116.61 1ucv h ASP 44 Ca 0.03 -0.83 0.03 0.00 0.02 0.00 0.00 57.03 56.28 1ucv h ASP 44 Cb 0.16 -0.16 -0.05 0.00 0.22 0.00 0.00 39.33 39.50 1ucv h ASP 44 CO -0.00 1.28 -0.32 0.58 -1.72 0.00 0.00 179.24 179.06 1ucv h VAL 45 N -0.20 0.31 -0.81 -1.35 2.07 -0.48 -1.99 116.25 113.80 1ucv h VAL 45 Ca -0.10 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.62 1ucv h VAL 45 Cb 1.43 0.31 -0.12 0.00 -1.52 0.00 0.00 31.29 31.39 1ucv h VAL 45 CO 0.13 0.00 0.21 -0.09 0.02 0.00 0.00 177.57 177.84 1ucv h ARG 46 N -0.50 0.25 -0.80 1.57 1.12 -1.28 0.44 114.38 115.18 1ucv h ARG 46 Ca 0.05 -0.01 0.16 0.00 -1.11 0.00 0.00 59.98 59.06 1ucv h ARG 46 Cb 0.56 -0.06 -0.06 0.00 -0.01 0.00 0.00 29.97 30.41 1ucv h ARG 46 CO -0.24 0.16 0.53 0.00 -3.11 0.00 0.00 179.97 177.32 1ucv h ALA 47 N 1.69 2.09 0.00 2.80 0.00 -1.41 0.28 119.26 124.71 1ucv h ALA 47 Ca 0.48 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.37 1ucv h ALA 47 Cb 0.89 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 1ucv h ALA 47 CO -0.58 -0.31 -0.10 -0.07 0.00 0.00 0.00 179.25 178.18 1ucv h LEU 48 N 0.45 0.00 0.00 0.00 3.38 0.09 -3.46 115.31 115.77 1ucv h LEU 48 Ca 0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.37 1ucv h LEU 48 Cb 0.89 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.64 1ucv h LEU 48 CO -0.14 0.10 0.00 0.61 0.09 0.00 0.00 178.44 179.10 1ucv n GLY 49 N -0.83 0.67 3.56 0.83 0.00 0.97 -4.80 105.19 105.58 1ucv n GLY 49 Ca -0.02 -0.03 -0.38 0.00 0.00 0.00 0.00 46.02 45.59 1ucv n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ucv s ILE 50 N -0.81 3.25 -0.00 -0.61 1.09 -1.26 -4.68 121.20 118.19 1ucv s ILE 50 Ca 0.00 0.17 0.00 0.00 -1.10 0.00 0.00 60.65 59.72 1ucv s ILE 50 Cb 0.00 -3.58 -0.00 0.00 -1.06 0.00 0.00 42.46 37.82 1ucv s ILE 50 CO 0.00 -0.54 0.00 0.35 -0.10 0.00 0.00 174.94 174.65 1ucv n THR 51 N 7.50 0.00 -1.46 2.92 -2.24 -1.26 -4.06 114.28 115.68 1ucv n THR 51 Ca 0.26 -0.06 -0.48 0.00 -2.27 0.00 0.00 64.05 61.50 1ucv n THR 51 Cb 0.52 0.56 -0.08 0.00 -2.10 0.00 0.00 70.33 69.24 1ucv n THR 51 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1ucv n LEU 52 N -1.44 1.86 -0.24 3.22 7.99 -1.26 -4.65 117.00 122.48 1ucv n LEU 52 Ca -0.00 0.27 -0.02 0.00 -0.01 0.00 0.00 56.01 56.25 1ucv n LEU 52 Cb 0.00 -1.25 0.01 0.00 -0.11 0.00 0.00 43.42 42.07 1ucv n LEU 52 CO 0.00 -0.85 0.35 0.23 -1.51 0.00 0.00 177.39 175.61 1ucv n MET 53 N 8.32 -0.17 -0.11 3.23 2.81 -1.26 0.14 117.12 130.08 1ucv n MET 53 Ca 0.44 0.95 -0.05 0.00 -1.81 0.00 0.00 57.70 57.23 1ucv n MET 53 Cb 0.24 -1.40 0.02 0.00 -0.71 0.00 0.00 33.22 31.36 1ucv n MET 53 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 1ucv h GLY 54 N 0.00 0.35 0.56 3.03 0.00 -2.00 -0.15 103.07 104.88 1ucv h GLY 54 Ca 0.19 0.06 -0.03 0.00 0.00 0.00 0.00 47.33 47.55 1ucv h GLY 54 CO -0.61 -0.10 -0.25 0.45 0.00 0.00 0.00 176.54 176.03 1ucv h HIS 55 N 0.08 -0.66 -1.37 5.60 3.86 0.90 -2.98 115.15 120.59 1ucv h HIS 55 Ca 0.18 -0.02 0.40 0.00 -1.16 0.00 0.00 60.37 59.78 1ucv h HIS 55 Cb 0.26 0.22 -0.08 0.00 1.06 0.00 0.00 27.41 28.87 1ucv h HIS 55 CO -0.27 -0.38 0.95 1.96 0.86 0.00 0.00 177.93 181.05 1ucv h GLN 56 N -1.16 0.07 -0.14 2.45 4.20 0.01 1.22 115.11 121.77 1ucv h GLN 56 Ca -0.07 -0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.50 1ucv h GLN 56 Cb 0.57 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.33 1ucv h GLN 56 CO 0.12 0.05 -0.49 0.87 -0.67 0.00 0.00 178.83 178.71 1ucv h LYS 57 N 0.08 0.38 0.21 1.46 1.57 -0.96 -1.91 116.57 117.41 1ucv h LYS 57 Ca 0.70 -0.22 -0.01 0.00 -1.87 0.00 0.00 60.65 59.25 1ucv h LYS 57 Cb 2.54 0.02 0.00 0.00 0.08 0.00 0.00 32.23 34.87 1ucv h LYS 57 CO -0.13 0.79 -0.10 0.87 -0.57 0.00 0.00 179.45 180.31 1ucv h LYS 58 N 0.31 -0.27 0.51 3.15 1.79 0.16 0.71 116.57 122.93 1ucv h LYS 58 Ca 0.01 0.02 -0.02 0.00 -2.18 0.00 0.00 60.65 58.49 1ucv h LYS 58 Cb 0.98 0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 31.67 1ucv h LYS 58 CO 0.08 0.06 -0.51 0.82 -1.08 0.00 0.00 179.45 178.83 1ucv h ILE 59 N -0.96 0.00 0.19 1.86 2.04 -1.38 0.57 117.51 119.84 1ucv h ILE 59 Ca -0.03 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 1ucv h ILE 59 Cb 0.46 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.54 1ucv h ILE 59 CO 0.05 0.00 -0.09 -0.07 0.00 0.00 0.00 178.15 178.03 1ucv h LEU 60 N -1.02 -0.22 -1.47 1.44 4.07 -1.50 -0.02 115.31 116.60 1ucv h LEU 60 Ca -0.07 -0.07 0.11 0.00 0.08 0.00 0.00 57.88 57.93 1ucv h LEU 60 Cb 0.88 0.06 -0.05 0.00 1.08 0.00 0.00 40.66 42.62 1ucv h LEU 60 CO -0.06 -0.07 0.49 1.23 -1.08 0.00 0.00 178.44 178.95 1ucv h GLY 61 N -0.36 0.86 1.46 0.83 0.00 -0.79 0.16 103.07 105.23 1ucv h GLY 61 Ca -0.03 -0.24 -0.23 0.00 0.00 0.00 0.00 47.33 46.83 1ucv h GLY 61 CO 0.04 0.13 -0.94 0.23 0.00 0.00 0.00 176.54 176.00 1ucv h SER 62 N 0.58 0.63 0.18 0.19 0.87 0.44 -3.18 113.55 113.25 1ucv h SER 62 Ca 0.35 -0.50 -0.01 0.00 -1.23 0.00 0.00 61.79 60.40 1ucv h SER 62 Cb 0.57 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.34 1ucv h SER 62 CO -0.12 1.29 -0.09 0.40 -0.53 0.00 0.00 176.83 177.78 1ucv h ILE 63 N 0.29 0.91 -1.13 2.23 2.04 0.10 0.12 117.51 122.07 1ucv h ILE 63 Ca -0.09 -0.93 0.32 0.00 1.00 0.00 0.00 64.86 65.16 1ucv h ILE 63 Cb 1.58 1.43 -0.07 0.00 -0.74 0.00 0.00 36.82 39.02 1ucv h ILE 63 CO 0.17 0.20 0.78 0.06 0.00 0.00 0.00 178.15 179.36 1ucv h GLN 64 N -0.74 0.14 0.13 2.37 -0.00 -0.85 0.11 115.11 116.28 1ucv h GLN 64 Ca -0.02 -0.01 -0.34 0.00 -0.00 0.00 0.00 58.65 58.27 1ucv h GLN 64 Cb 0.51 -0.03 -0.01 0.00 -0.00 0.00 0.00 27.48 27.95 1ucv h GLN 64 CO 0.04 0.09 -1.81 0.00 -0.00 0.00 0.00 178.83 177.15 1ucv h THR 65 N 0.14 0.84 -0.67 1.86 1.03 -1.52 -2.42 112.91 112.17 1ucv h THR 65 Ca 0.58 -2.51 0.12 0.00 -0.01 0.00 0.00 66.41 64.59 1ucv h THR 65 Cb 1.99 2.63 -0.04 0.00 -1.07 0.00 0.00 68.15 71.65 1ucv h THR 65 CO -0.13 0.84 0.45 0.24 -0.01 0.00 0.00 175.52 176.91 1ucv h MET 66 N 0.08 0.41 0.05 0.00 2.86 0.18 -2.23 114.93 116.28 1ucv h MET 66 Ca -0.35 -0.02 -0.34 0.00 -2.06 0.00 0.00 59.70 56.92 1ucv h MET 66 Cb 2.05 -0.09 -0.04 0.00 0.06 0.00 0.00 31.60 33.58 1ucv h MET 66 CO 0.13 0.27 -2.00 2.89 1.06 0.00 0.00 176.91 179.26 1ucv n ARG 67 N -4.47 0.69 -0.35 1.72 1.85 -0.54 -4.15 116.66 111.42 1ucv n ARG 67 Ca 0.12 0.23 0.33 0.00 -1.00 0.00 0.00 57.85 57.52 1ucv n ARG 67 Cb 0.44 -1.69 0.68 0.00 -1.05 0.00 0.00 32.46 30.83 1ucv n ARG 67 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1ucv h ALA 68 N 0.51 2.87 -0.81 2.89 0.00 -0.87 0.47 119.26 124.32 1ucv h ALA 68 Ca -0.41 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 1ucv h ALA 68 Cb 2.04 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 19.87 1ucv h ALA 68 CO 0.06 -1.26 0.46 -0.56 0.00 0.00 0.00 179.25 177.94 1ucv h GLN 69 N 0.12 1.12 -0.36 0.00 3.07 -1.62 0.24 115.11 117.67 1ucv h GLN 69 Ca 0.61 -0.12 0.03 0.00 0.09 0.00 0.00 58.65 59.26 1ucv h GLN 69 Cb 2.14 -0.23 -0.03 0.00 0.08 0.00 0.00 27.48 29.44 1ucv h GLN 69 CO -0.12 0.81 0.16 -0.07 0.09 0.00 0.00 178.83 179.70 1ucv h LEU 70 N 1.13 0.22 0.14 0.06 4.07 -0.28 -3.22 115.31 117.44 1ucv h LEU 70 Ca 0.29 0.02 -0.01 0.00 0.08 0.00 0.00 57.88 58.27 1ucv h LEU 70 Cb 0.00 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 41.73 1ucv h LEU 70 CO -0.05 0.17 -0.07 0.71 -1.08 0.00 0.00 178.44 178.12 1ucv h THR 71 N 0.34 0.63 -3.52 0.22 1.35 -1.48 -3.44 112.91 107.01 1ucv h THR 71 Ca 0.16 -1.17 -0.65 0.00 -0.55 0.00 0.00 66.41 64.19 1ucv h THR 71 Cb 0.09 1.11 -0.24 0.00 -1.73 0.00 0.00 68.15 67.38 1ucv h THR 71 CO -0.13 0.18 -0.66 -0.55 -0.25 0.00 0.00 175.52 174.11 1ucv s SER 72 N -5.50 4.82 0.13 5.36 0.15 0.80 -5.08 113.70 114.39 1ucv s SER 72 Ca -0.10 -0.26 -0.31 0.00 0.70 0.00 0.00 55.95 55.99 1ucv s SER 72 Cb -0.00 -1.85 -0.08 0.00 -1.71 0.00 0.00 66.02 62.38 1ucv s SER 72 CO 0.35 -0.01 1.32 0.42 1.20 0.00 0.00 173.24 176.53 1ucv s THR 73 N 1.44 3.42 -0.13 6.45 -4.23 -1.24 -3.90 115.64 117.45 1ucv s THR 73 Ca 0.05 1.06 -0.19 0.00 -1.18 0.00 0.00 61.69 61.43 1ucv s THR 73 Cb -0.15 -3.68 -0.17 0.00 1.34 0.00 0.00 72.50 69.84 1ucv s THR 73 CO 0.01 0.11 0.50 -0.61 -0.54 0.00 0.00 174.62 174.09 1ucv h GLN 74 N 6.34 0.00 -6.13 3.99 5.75 -1.93 -3.49 115.11 119.65 1ucv h GLN 74 Ca -0.43 0.00 -0.42 0.00 -0.15 0.00 0.00 58.65 57.65 1ucv h GLN 74 Cb 1.21 0.00 0.05 0.00 1.07 0.00 0.00 27.48 29.81 1ucv h GLN 74 CO 0.82 0.67 -0.85 0.41 -2.65 0.00 0.00 178.83 177.23 1ucv n GLY 75 N 1.66 -0.39 0.03 2.39 0.00 -1.26 -4.90 105.19 102.71 1ucv n GLY 75 Ca -0.07 0.18 -0.03 0.00 0.00 0.00 0.00 46.02 46.10 1ucv n GLY 75 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ucv n SER 76 N -3.02 3.66 0.00 1.61 2.88 -1.26 -5.03 113.62 112.46 1ucv n SER 76 Ca -0.27 -0.02 0.00 0.00 -1.33 0.00 0.00 58.87 57.25 1ucv n SER 76 Cb 0.67 0.02 0.00 0.00 -0.75 0.00 0.00 64.21 64.15 1ucv n SER 76 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ucv n GLY 77 N 3.17 -1.39 3.57 0.46 0.00 -1.26 -5.16 105.19 104.59 1ucv n GLY 77 Ca -0.09 0.99 -0.40 0.00 0.00 0.00 0.00 46.02 46.53 1ucv n GLY 77 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ucv n PRO 78 N 0.00 0.99 -0.00 1.61 -0.02 -1.26 -4.71 135.00 131.61 1ucv n PRO 78 Ca 0.00 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 1ucv n PRO 78 Cb 0.00 -1.97 -0.00 0.00 -0.02 0.00 0.00 33.50 31.51 1ucv n PRO 78 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1ucv n SER 79 N 0.21 -3.01 -4.29 2.55 2.88 -1.26 -4.72 113.62 105.97 1ucv n SER 79 Ca 0.11 0.00 -0.37 0.00 -1.33 0.00 0.00 58.87 57.28 1ucv n SER 79 Cb 0.43 -0.01 -0.13 0.00 -0.75 0.00 0.00 64.21 63.76 1ucv n SER 79 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1ucv s SER 80 N -4.00 5.14 0.00 -3.46 0.15 -1.26 -5.18 113.70 105.09 1ucv s SER 80 Ca 0.00 -0.94 0.00 0.00 0.70 0.00 0.00 55.95 55.71 1ucv s SER 80 Cb 0.00 -1.85 0.00 0.00 -1.71 0.00 0.00 66.02 62.46 1ucv s SER 80 CO 0.00 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 174.80