#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2juf h GLY 15 N 0.00 0.00 0.62 2.98 0.00 -1.84 -2.39 103.07 102.44 2juf h GLY 15 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 2juf h GLY 15 CO 0.00 0.00 -0.15 -2.09 0.00 0.00 0.00 176.54 174.30 2juf h GLU 16 N 0.00 0.24 -0.08 4.80 4.57 -1.99 -2.30 114.58 119.81 2juf h GLU 16 Ca -0.00 -0.15 0.02 0.00 -1.18 0.00 0.00 59.36 58.04 2juf h GLU 16 Cb 0.35 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.94 2juf h GLU 16 CO 0.02 0.74 -0.02 -0.92 -1.18 0.00 0.00 179.01 177.65 2juf h TYR 17 N -0.24 -0.04 -0.34 0.92 3.20 -1.94 -2.96 116.97 115.57 2juf h TYR 17 Ca 0.00 0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.77 2juf h TYR 17 Cb 0.73 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 39.02 2juf h TYR 17 CO 0.11 -0.04 -0.23 -0.39 -1.64 0.00 0.00 178.16 175.97 2juf h VAL 18 N -0.00 1.27 -0.74 1.81 -1.51 -1.52 -2.32 116.25 113.24 2juf h VAL 18 Ca 0.04 -1.31 0.13 0.00 -1.23 0.00 0.00 66.70 64.33 2juf h VAL 18 Cb 0.06 1.26 -0.05 0.00 -2.13 0.00 0.00 31.29 30.44 2juf h VAL 18 CO -0.08 0.43 0.49 -0.61 -1.23 0.00 0.00 177.57 176.56 2juf h GLN 19 N 0.58 0.46 0.03 5.19 4.15 -1.25 -1.14 115.11 123.12 2juf h GLN 19 Ca 0.08 -0.03 -0.15 0.00 0.77 0.00 0.00 58.65 59.32 2juf h GLN 19 Cb 0.71 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 28.28 2juf h GLN 19 CO 0.05 0.30 -0.79 1.96 -1.93 0.00 0.00 178.83 178.43 2juf h GLN 20 N 0.47 0.05 -0.00 1.69 1.08 -1.36 -3.39 115.11 113.65 2juf h GLN 20 Ca 0.36 -0.09 0.00 0.00 -1.45 0.00 0.00 58.65 57.46 2juf h GLN 20 Cb 0.73 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.19 2juf h GLN 20 CO -0.12 1.04 -0.30 -2.37 -0.95 0.00 0.00 178.83 176.14 2juf n THR 21 N -4.40 0.00 -1.93 -0.54 5.66 -0.91 -4.82 114.28 107.35 2juf n THR 21 Ca -0.22 -0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.37 2juf n THR 21 Cb 0.65 -0.05 -0.03 0.00 -1.55 0.00 0.00 70.33 69.35 2juf n THR 21 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 2juf s LEU 22 N -3.00 3.45 -0.11 1.09 2.01 -0.44 -4.99 118.68 116.68 2juf s LEU 22 Ca 0.12 1.16 -0.15 0.00 0.01 0.00 0.00 54.13 55.28 2juf s LEU 22 Cb 0.18 -3.24 -0.05 0.00 0.01 0.00 0.00 46.19 43.09 2juf s LEU 22 CO 0.63 -1.96 0.35 -1.10 1.01 0.00 0.00 176.35 175.29 2juf s GLN 23 N 6.20 4.16 -0.88 1.70 -0.21 -1.26 -5.01 119.66 124.36 2juf s GLN 23 Ca 0.81 0.23 -0.23 0.00 0.02 0.00 0.00 55.36 56.19 2juf s GLN 23 Cb -0.21 -3.37 -0.19 0.00 1.00 0.00 0.00 33.01 30.24 2juf s GLN 23 CO 0.31 0.35 2.17 -2.30 -2.12 0.00 0.00 175.29 173.69 2juf n PRO 24 N 3.14 0.27 0.00 2.91 -0.02 -1.26 -1.65 135.00 138.39 2juf n PRO 24 Ca -0.12 -1.12 0.00 0.00 -2.02 0.00 0.00 63.50 60.25 2juf n PRO 24 Cb 0.52 -3.44 0.00 0.00 -0.02 0.00 0.00 33.50 30.56 2juf n PRO 24 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2juf n GLY 25 N 6.26 -0.95 3.95 -1.23 0.00 0.11 -4.91 105.19 108.43 2juf n GLY 25 Ca 0.42 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.21 2juf n GLY 25 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2juf s MET 26 N 0.00 2.80 -0.01 1.61 0.23 -0.66 -4.88 119.30 118.40 2juf s MET 26 Ca 0.00 -0.52 -0.21 0.00 -1.03 0.00 0.00 55.69 53.94 2juf s MET 26 Cb 0.00 -2.47 -0.05 0.00 -1.53 0.00 0.00 34.83 30.77 2juf s MET 26 CO 0.00 -0.54 0.60 0.50 -2.03 0.00 0.00 175.02 173.54 2juf s ARG 27 N -4.73 4.32 0.44 3.16 3.00 -1.26 -1.81 118.95 122.07 2juf s ARG 27 Ca 0.53 0.74 0.06 0.00 -1.00 0.00 0.00 55.73 56.06 2juf s ARG 27 Cb -0.10 -3.34 -0.05 0.00 0.00 0.00 0.00 34.95 31.45 2juf s ARG 27 CO 0.39 0.36 0.10 0.14 0.00 0.00 0.00 175.30 176.29 2juf s VAL 28 N -0.17 1.91 -0.15 7.11 -7.23 -0.55 -3.90 120.40 117.43 2juf s VAL 28 Ca 0.31 -1.86 -0.14 0.00 -1.81 0.00 0.00 61.98 58.49 2juf s VAL 28 Cb -0.18 -2.77 0.04 0.00 0.56 0.00 0.00 36.38 34.03 2juf s VAL 28 CO 0.17 0.00 0.40 -0.60 -0.31 0.00 0.00 175.10 174.76 2juf s ARG 29 N -3.85 0.46 -0.08 4.82 3.00 0.91 -1.95 118.95 122.26 2juf s ARG 29 Ca 0.31 0.55 -0.24 0.00 -1.00 0.00 0.00 55.73 55.35 2juf s ARG 29 Cb 0.05 0.23 -0.03 0.00 0.00 0.00 0.00 34.95 35.20 2juf s ARG 29 CO 0.17 -0.06 0.73 1.41 0.00 0.00 0.00 175.30 177.56 2juf s MET 30 N 0.21 4.42 0.00 5.12 -2.45 0.29 -1.42 119.30 125.46 2juf s MET 30 Ca -0.00 0.93 0.16 0.00 -1.25 0.00 0.00 55.69 55.52 2juf s MET 30 Cb -0.03 -3.47 -0.04 0.00 1.25 0.00 0.00 34.83 32.55 2juf s MET 30 CO 0.01 -0.00 0.80 -0.11 1.05 0.00 0.00 175.02 176.76 2juf n LEU 31 N 4.02 1.41 -4.13 4.11 7.94 -1.16 -0.84 117.00 128.34 2juf n LEU 31 Ca -0.00 -0.71 -0.09 0.00 -1.11 0.00 0.00 56.01 54.10 2juf n LEU 31 Cb 0.51 0.00 -0.10 0.00 0.53 0.00 0.00 43.42 44.36 2juf n LEU 31 CO 0.47 0.28 -0.36 -0.62 -1.11 0.00 0.00 177.39 176.05 2juf s ASP 32 N -1.98 0.74 -0.08 1.96 2.15 -1.25 -4.93 116.67 113.28 2juf s ASP 32 Ca 0.11 -1.03 -0.27 0.00 0.43 0.00 0.00 52.55 51.80 2juf s ASP 32 Cb 0.12 0.17 -0.02 0.00 -0.30 0.00 0.00 42.92 42.89 2juf s ASP 32 CO 0.44 -0.56 0.88 1.51 -0.17 0.00 0.00 175.17 177.27 2juf s ASP 33 N -2.99 7.14 0.40 -0.34 -4.77 -1.26 -3.00 116.67 111.85 2juf s ASP 33 Ca 0.11 1.39 0.05 0.00 -3.30 0.00 0.00 52.55 50.80 2juf s ASP 33 Cb 0.07 -2.50 -0.07 0.00 -1.09 0.00 0.00 42.92 39.34 2juf s ASP 33 CO -0.06 -0.30 0.03 -0.31 0.70 0.00 0.00 175.17 175.22 2juf s TYR 34 N 1.47 2.27 0.25 2.11 1.51 -0.06 -4.97 117.35 119.92 2juf s TYR 34 Ca 0.44 -0.80 -0.05 0.00 -1.01 0.00 0.00 57.07 55.65 2juf s TYR 34 Cb -0.18 -1.61 0.47 0.00 -0.11 0.00 0.00 41.96 40.53 2juf s TYR 34 CO 0.19 0.28 1.69 0.93 -1.11 0.00 0.00 175.55 177.54 2juf h GLU 35 N 1.81 0.30 0.00 -0.62 4.39 -1.99 -3.30 114.58 115.17 2juf h GLU 35 Ca -0.43 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.25 2juf h GLU 35 Cb 1.25 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.83 2juf h GLU 35 CO 0.76 0.20 0.00 -0.85 -1.16 0.00 0.00 179.01 177.96 2juf n GLU 36 N -5.12 1.30 -5.16 2.33 0.28 -1.26 -5.05 120.64 107.96 2juf n GLU 36 Ca 0.14 -0.09 -0.31 0.00 -0.16 0.00 0.00 57.16 56.74 2juf n GLU 36 Cb 0.46 -0.43 -0.15 0.00 1.43 0.00 0.00 31.44 32.75 2juf n GLU 36 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 2juf s ILE 37 N -0.21 2.28 0.13 3.84 1.01 -1.24 -4.40 121.20 122.60 2juf s ILE 37 Ca 0.00 -1.07 0.02 0.00 0.00 0.00 0.00 60.65 59.60 2juf s ILE 37 Cb 0.00 -1.83 -0.04 0.00 0.01 0.00 0.00 42.46 40.60 2juf s ILE 37 CO 0.00 0.55 0.24 -0.55 0.00 0.00 0.00 174.94 175.18 2juf s SER 38 N -0.74 6.22 -0.14 3.58 0.15 -1.26 -0.88 113.70 120.63 2juf s SER 38 Ca 0.11 0.15 -0.29 0.00 0.70 0.00 0.00 55.95 56.62 2juf s SER 38 Cb -0.10 -1.85 -0.05 0.00 -1.71 0.00 0.00 66.02 62.30 2juf s SER 38 CO -0.00 0.09 1.88 0.00 1.20 0.00 0.00 173.24 176.40 2juf s ALA 39 N -1.67 3.23 0.00 5.45 0.00 -1.16 -2.39 121.76 125.21 2juf s ALA 39 Ca 0.34 0.81 0.00 0.00 0.00 0.00 0.00 51.96 53.11 2juf s ALA 39 Cb -0.11 -3.91 0.00 0.00 0.00 0.00 0.00 23.12 19.10 2juf s ALA 39 CO 0.28 -2.05 0.00 0.41 0.00 0.00 0.00 175.76 174.40 2juf n GLY 40 N 4.90 2.98 3.77 0.00 0.00 -0.02 -4.96 105.19 111.85 2juf n GLY 40 Ca 0.22 -0.56 -0.40 0.00 0.00 0.00 0.00 46.02 45.28 2juf n GLY 40 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2juf s ASP 41 N -0.14 6.27 0.27 1.61 1.01 -1.00 -4.52 116.67 120.17 2juf s ASP 41 Ca 0.00 2.83 0.06 0.00 0.71 0.00 0.00 52.55 56.15 2juf s ASP 41 Cb 0.00 -2.65 -0.03 0.00 1.01 0.00 0.00 42.92 41.25 2juf s ASP 41 CO 0.00 -0.90 0.33 -1.61 0.21 0.00 0.00 175.17 173.20 2juf s GLU 42 N -2.19 3.14 0.01 8.23 2.02 -1.26 -0.55 118.70 128.10 2juf s GLU 42 Ca 0.56 -0.96 -0.00 0.00 0.02 0.00 0.00 54.97 54.59 2juf s GLU 42 Cb -0.42 -2.73 0.00 0.00 0.10 0.00 0.00 34.13 31.08 2juf s GLU 42 CO 0.55 0.31 0.01 0.41 0.02 0.00 0.00 175.26 176.56 2juf n GLY 43 N -1.38 2.60 2.95 -1.39 0.00 -0.82 -2.74 105.19 104.40 2juf n GLY 43 Ca -0.06 -1.22 -0.17 0.00 0.00 0.00 0.00 46.02 44.57 2juf n GLY 43 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2juf s GLU 44 N -2.01 0.54 -0.25 1.61 2.12 -0.83 -1.48 118.70 118.39 2juf s GLU 44 Ca 0.00 -0.18 -0.24 0.00 0.36 0.00 0.00 54.97 54.91 2juf s GLU 44 Cb -0.00 -0.54 -0.00 0.00 0.26 0.00 0.00 34.13 33.85 2juf s GLU 44 CO 0.00 0.08 0.82 0.12 -0.54 0.00 0.00 175.26 175.75 2juf s PHE 45 N 0.09 3.29 -0.06 5.30 2.19 -0.75 -1.70 117.98 126.35 2juf s PHE 45 Ca -0.01 1.09 -0.02 0.00 0.33 0.00 0.00 56.93 58.32 2juf s PHE 45 Cb -0.05 -3.07 -0.03 0.00 -1.31 0.00 0.00 43.02 38.56 2juf s PHE 45 CO -0.00 -0.42 -0.06 2.89 1.83 0.00 0.00 175.22 179.45 2juf n ARG 46 N 6.04 0.13 -4.39 10.12 0.00 -1.26 0.07 116.66 127.37 2juf n ARG 46 Ca 0.05 0.05 -0.20 0.00 -0.00 0.00 0.00 57.85 57.75 2juf n ARG 46 Cb 0.48 -0.87 -0.10 0.00 -0.00 0.00 0.00 32.46 31.96 2juf n ARG 46 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.63 178.77 2juf s GLN 47 N -2.11 1.45 0.22 2.89 0.00 -1.26 -4.64 119.66 116.21 2juf s GLN 47 Ca -0.08 -1.71 -0.10 0.00 -0.00 0.00 0.00 55.36 53.47 2juf s GLN 47 Cb 0.03 -1.05 -0.01 0.00 0.00 0.00 0.00 33.01 31.97 2juf s GLN 47 CO 0.11 0.06 0.37 0.45 0.00 0.00 0.00 175.29 176.28 2juf s SER 48 N -3.38 -0.02 -0.08 12.60 0.15 -1.26 -3.90 113.70 117.80 2juf s SER 48 Ca 0.27 -0.97 -0.02 0.00 0.70 0.00 0.00 55.95 55.93 2juf s SER 48 Cb 0.03 0.51 0.03 0.00 -1.71 0.00 0.00 66.02 64.88 2juf s SER 48 CO 0.10 -1.02 0.03 0.20 1.20 0.00 0.00 173.24 173.75 2juf s ASN 49 N -3.02 1.58 0.00 5.45 0.01 -1.26 -4.95 114.94 112.75 2juf s ASN 49 Ca 0.23 -0.12 0.27 0.00 -0.71 0.00 0.00 52.86 52.53 2juf s ASN 49 Cb 0.02 -0.33 0.85 0.00 0.41 0.00 0.00 41.25 42.20 2juf s ASN 49 CO 0.07 -0.23 1.62 0.59 -1.51 0.00 0.00 177.10 177.64 2juf n ASN 50 N 5.20 1.11 -0.01 -1.22 3.02 -1.26 -3.84 115.26 118.27 2juf n ASN 50 Ca -0.06 -1.02 -0.00 0.00 -0.03 0.00 0.00 54.58 53.47 2juf n ASN 50 Cb 0.50 0.09 -0.02 0.00 -0.61 0.00 0.00 39.78 39.74 2juf n ASN 50 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2juf n GLY 51 N 1.30 -0.11 3.46 7.41 0.00 -1.26 -5.00 105.19 110.99 2juf n GLY 51 Ca 0.14 -0.05 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 2juf n GLY 51 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2juf s ILE 52 N -2.11 4.54 0.50 -0.61 -1.09 -1.25 -5.04 121.20 116.15 2juf s ILE 52 Ca -0.01 -0.21 0.18 0.00 -2.23 0.00 0.00 60.65 58.38 2juf s ILE 52 Cb 0.01 -3.20 0.26 0.00 -1.58 0.00 0.00 42.46 37.95 2juf s ILE 52 CO 0.10 0.24 2.11 1.55 -1.23 0.00 0.00 174.94 177.71 2juf h PRO 53 N 8.29 0.00 -6.32 2.79 0.13 -1.95 -3.41 132.00 131.54 2juf h PRO 53 Ca -0.36 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.22 2juf h PRO 53 Cb 1.17 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.25 2juf h PRO 53 CO 0.59 0.06 1.19 -1.25 -0.23 0.00 0.00 178.00 178.36 2juf s PRO 54 N -4.83 3.24 0.24 1.56 0.04 -1.26 -3.29 135.00 130.70 2juf s PRO 54 Ca -0.05 0.85 -0.17 0.00 0.04 0.00 0.00 61.00 61.67 2juf s PRO 54 Cb 0.16 -4.17 -0.08 0.00 0.04 0.00 0.00 34.50 30.45 2juf s PRO 54 CO 0.66 -1.98 0.70 0.54 0.04 0.00 0.00 177.00 176.95 2juf s VAL 55 N 6.71 4.65 -0.15 -0.36 0.11 0.20 -4.62 120.40 126.95 2juf s VAL 55 Ca 0.64 1.11 -0.18 0.00 -2.93 0.00 0.00 61.98 60.63 2juf s VAL 55 Cb -0.15 -3.77 -0.04 0.00 -1.53 0.00 0.00 36.38 30.89 2juf s VAL 55 CO 0.28 0.10 0.48 -1.10 -3.33 0.00 0.00 175.10 171.54 2juf s GLN 56 N -2.25 4.29 -0.01 1.54 1.11 -1.25 -1.22 119.66 121.87 2juf s GLN 56 Ca 0.45 0.43 0.01 0.00 0.01 0.00 0.00 55.36 56.25 2juf s GLN 56 Cb -0.15 -3.48 0.01 0.00 -1.01 0.00 0.00 33.01 28.39 2juf s GLN 56 CO 0.20 0.06 -0.02 0.14 0.01 0.00 0.00 175.29 175.68 2juf s VAL 57 N 0.94 0.20 -0.51 1.09 -7.23 -1.06 -4.20 120.40 109.64 2juf s VAL 57 Ca 0.25 -0.04 -0.27 0.00 -1.81 0.00 0.00 61.98 60.10 2juf s VAL 57 Cb -0.15 -0.21 0.03 0.00 0.56 0.00 0.00 36.38 36.61 2juf s VAL 57 CO 0.10 0.09 1.08 0.12 -0.31 0.00 0.00 175.10 176.18 2juf s PHE 58 N 0.31 2.79 -0.12 2.82 5.36 -0.69 -1.83 117.98 126.63 2juf s PHE 58 Ca -0.03 0.49 -0.17 0.00 -0.96 0.00 0.00 56.93 56.26 2juf s PHE 58 Cb -0.05 -4.31 -0.04 0.00 -0.34 0.00 0.00 43.02 38.27 2juf s PHE 58 CO -0.01 -1.32 0.42 -1.58 -1.46 0.00 0.00 175.22 171.28 2juf s TRP 59 N 4.36 3.52 0.45 10.12 0.52 -0.55 -1.97 118.94 135.39 2juf s TRP 59 Ca 0.42 0.82 0.21 0.00 0.02 0.00 0.00 56.10 57.58 2juf s TRP 59 Cb -0.08 -2.47 1.28 0.00 -1.15 0.00 0.00 33.47 31.04 2juf s TRP 59 CO 0.28 0.23 2.05 -0.56 0.02 0.00 0.00 176.95 178.97 2juf h GLN 60 N 6.51 0.00 -0.20 4.98 3.07 -1.83 -0.21 115.11 127.44 2juf h GLN 60 Ca -0.42 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.29 2juf h GLN 60 Cb 1.18 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.73 2juf h GLN 60 CO 0.74 0.14 0.02 1.03 0.09 0.00 0.00 178.83 180.85 2juf h SER 61 N 0.00 0.32 0.00 0.06 0.87 -1.92 -3.25 113.55 109.63 2juf h SER 61 Ca -0.00 -0.27 0.00 0.00 -1.23 0.00 0.00 61.79 60.28 2juf h SER 61 Cb 0.30 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.17 2juf h SER 61 CO 0.02 0.51 -1.28 1.07 -0.53 0.00 0.00 176.83 176.62 2juf n THR 62 N -4.73 0.00 -1.01 2.23 5.66 -1.23 -5.00 114.28 110.19 2juf n THR 62 Ca -0.04 -0.23 -0.01 0.00 -3.05 0.00 0.00 64.05 60.72 2juf n THR 62 Cb 0.20 0.59 -0.00 0.00 -1.55 0.00 0.00 70.33 69.57 2juf n THR 62 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2juf n GLY 63 N 1.44 0.47 3.54 1.09 0.00 -0.11 -5.01 105.19 106.62 2juf n GLY 63 Ca 0.00 -0.43 -0.10 0.00 0.00 0.00 0.00 46.02 45.49 2juf n GLY 63 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2juf s ARG 64 N -0.94 1.61 -0.17 1.61 1.70 -1.10 -4.93 118.95 116.74 2juf s ARG 64 Ca 0.00 -1.40 -0.22 0.00 -0.47 0.00 0.00 55.73 53.64 2juf s ARG 64 Cb 0.00 0.45 -0.02 0.00 -0.57 0.00 0.00 34.95 34.81 2juf s ARG 64 CO 0.00 -0.66 0.70 0.99 -1.08 0.00 0.00 175.30 175.24 2juf s THR 65 N -3.77 4.98 0.13 4.99 2.01 -1.26 -1.48 115.64 121.25 2juf s THR 65 Ca 0.25 1.35 0.07 0.00 0.31 0.00 0.00 61.69 63.67 2juf s THR 65 Cb -0.00 -4.01 -0.04 0.00 0.01 0.00 0.00 72.50 68.46 2juf s THR 65 CO 0.12 0.11 -0.15 -0.47 -0.69 0.00 0.00 174.62 173.53 2juf s TYR 66 N 1.81 1.51 -0.45 4.92 5.04 -0.76 -4.86 117.35 124.55 2juf s TYR 66 Ca 0.33 -0.53 -0.28 0.00 -2.44 0.00 0.00 57.07 54.14 2juf s TYR 66 Cb -0.16 -0.78 0.03 0.00 0.35 0.00 0.00 41.96 41.39 2juf s TYR 66 CO 0.12 0.19 1.08 -1.58 -1.34 0.00 0.00 175.55 174.02 2juf s TRP 67 N -2.07 2.90 0.19 4.97 0.51 -1.26 -2.56 118.94 121.62 2juf s TRP 67 Ca 0.10 0.74 0.08 0.00 -2.12 0.00 0.00 56.10 54.90 2juf s TRP 67 Cb -0.05 -4.21 -0.05 0.00 -0.81 0.00 0.00 33.47 28.35 2juf s TRP 67 CO 0.04 -1.14 -0.15 0.14 -0.51 0.00 0.00 176.95 175.33 2juf s VAL 68 N 4.17 1.70 0.25 4.03 -7.23 -0.36 -4.91 120.40 118.06 2juf s VAL 68 Ca 0.45 -2.14 -0.16 0.00 -1.81 0.00 0.00 61.98 58.32 2juf s VAL 68 Cb -0.09 -1.98 -0.08 0.00 0.56 0.00 0.00 36.38 34.79 2juf s VAL 68 CO 0.28 -0.56 0.69 -2.28 -0.31 0.00 0.00 175.10 172.91 2juf s HIS 69 N -2.84 3.52 0.10 2.82 2.46 -1.26 -0.63 115.29 119.46 2juf s HIS 69 Ca 0.21 1.23 -0.21 0.00 0.47 0.00 0.00 55.06 56.76 2juf s HIS 69 Cb -0.01 -2.52 -0.10 0.00 -0.13 0.00 0.00 32.58 29.81 2juf s HIS 69 CO 0.06 0.25 1.70 -1.49 -2.47 0.00 0.00 174.74 172.79 2juf h TRP 70 N 2.92 0.19 0.00 3.88 4.06 -1.89 -1.98 115.95 123.13 2juf h TRP 70 Ca -0.48 -0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.47 2juf h TRP 70 Cb 1.18 -0.06 0.00 0.00 -1.00 0.00 0.00 29.16 29.28 2juf h TRP 70 CO 0.63 0.19 0.00 1.58 -3.56 0.00 0.00 178.44 177.28 2juf n HIS 71 N -4.95 0.25 -0.12 0.49 -0.00 -1.26 -1.93 115.22 107.69 2juf n HIS 71 Ca -0.05 0.10 0.04 0.00 0.46 0.00 0.00 57.72 58.27 2juf n HIS 71 Cb 0.07 -0.66 0.11 0.00 -0.12 0.00 0.00 29.99 29.38 2juf n HIS 71 CO 0.00 0.00 0.00 -1.33 0.46 0.00 0.00 176.34 175.47 2juf n MET 72 N -1.73 2.91 -4.07 1.57 2.81 -1.00 -4.70 117.12 112.92 2juf n MET 72 Ca 0.03 -1.88 -0.34 0.00 -1.81 0.00 0.00 57.70 53.69 2juf n MET 72 Cb 0.18 -1.19 -0.14 0.00 -0.71 0.00 0.00 33.22 31.35 2juf n MET 72 CO 0.00 0.00 0.00 -1.17 1.51 0.00 0.00 175.97 176.31 2juf s LEU 73 N -1.01 2.72 -0.14 4.03 2.96 -0.78 -3.01 118.68 123.45 2juf s LEU 73 Ca 0.16 -0.43 -0.04 0.00 -0.22 0.00 0.00 54.13 53.60 2juf s LEU 73 Cb 0.08 -1.67 -0.03 0.00 0.50 0.00 0.00 46.19 45.07 2juf s LEU 73 CO 0.11 0.01 -0.02 -0.70 -1.32 0.00 0.00 176.35 174.43 2juf s GLU 74 N 1.28 3.54 -0.10 1.98 2.12 -0.51 -4.94 118.70 122.07 2juf s GLU 74 Ca 0.03 -0.47 0.01 0.00 0.36 0.00 0.00 54.97 54.90 2juf s GLU 74 Cb -0.14 -2.92 -0.02 0.00 0.26 0.00 0.00 34.13 31.30 2juf s GLU 74 CO -0.04 0.36 -0.12 0.96 -0.54 0.00 0.00 175.26 175.89 2juf s ILE 75 N 0.05 3.24 -2.21 -3.70 -4.36 -1.26 -0.06 121.20 112.90 2juf s ILE 75 Ca 0.01 -0.62 0.22 0.00 -0.26 0.00 0.00 60.65 60.00 2juf s ILE 75 Cb -0.13 -2.33 0.52 0.00 1.25 0.00 0.00 42.46 41.77 2juf s ILE 75 CO 0.02 0.55 1.47 0.18 0.24 0.00 0.00 174.94 177.40 2juf n LEU 76 N 2.94 3.46 0.00 0.37 7.99 -1.26 -4.99 117.00 125.50 2juf n LEU 76 Ca -0.18 -1.62 0.00 0.00 -0.01 0.00 0.00 56.01 54.20 2juf n LEU 76 Cb 0.53 -0.35 0.00 0.00 -0.11 0.00 0.00 43.42 43.48 2juf n LEU 76 CO 0.29 0.81 0.10 0.61 -1.51 0.00 0.00 177.39 177.69