#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 0.78 2.00 2.98 0.00 -1.87 -1.74 103.07 105.22 2juf h GLY 15 Ca 0.00 -0.66 -0.03 0.00 0.00 0.00 0.00 47.33 46.64 2juf h GLY 15 CO 0.00 0.60 -0.14 0.83 0.00 0.00 0.00 176.54 177.83 2juf h GLU 16 N 0.52 0.00 0.05 4.80 3.07 -1.97 -2.71 114.58 118.34 2juf h GLU 16 Ca 0.09 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.95 2juf h GLU 16 Cb 0.63 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.54 2juf h GLU 16 CO 0.04 0.14 -0.02 -0.92 -1.40 0.00 0.00 179.01 176.85 2juf h TYR 17 N 0.00 -0.06 -0.50 4.33 3.20 -1.93 -3.37 116.97 118.65 2juf h TYR 17 Ca -0.00 -0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.78 2juf h TYR 17 Cb 0.66 0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.93 2juf h TYR 17 CO 0.00 0.46 -0.04 -0.39 -1.64 0.00 0.00 178.16 176.55 2juf h VAL 18 N -0.61 1.27 -0.44 1.81 -1.51 -1.12 -2.81 116.25 112.84 2juf h VAL 18 Ca -0.01 -1.14 0.12 0.00 -1.23 0.00 0.00 66.70 64.44 2juf h VAL 18 Cb 0.54 1.00 -0.02 0.00 -2.13 0.00 0.00 31.29 30.69 2juf h VAL 18 CO 0.01 0.40 0.31 0.06 -1.23 0.00 0.00 177.57 177.12 2juf h GLN 19 N 0.76 0.03 0.11 5.19 3.07 -1.68 0.58 115.11 123.17 2juf h GLN 19 Ca 0.14 -0.00 -0.27 0.00 0.09 0.00 0.00 58.65 58.60 2juf h GLN 19 Cb 0.57 -0.01 0.01 0.00 0.08 0.00 0.00 27.48 28.14 2juf h GLN 19 CO 0.03 0.02 -1.19 1.96 0.09 0.00 0.00 178.83 179.74 2juf h GLN 20 N 0.03 0.43 -0.02 0.06 1.08 -1.66 -3.31 115.11 111.72 2juf h GLN 20 Ca 0.21 -0.60 0.00 0.00 -1.45 0.00 0.00 58.65 56.81 2juf h GLN 20 Cb 0.79 0.20 0.00 0.00 -0.05 0.00 0.00 27.48 28.43 2juf h GLN 20 CO -0.01 1.25 -0.03 -2.37 -0.95 0.00 0.00 178.83 176.73 2juf n THR 21 N -3.68 0.00 -2.25 -0.54 5.66 -0.49 -4.91 114.28 108.07 2juf n THR 21 Ca -0.10 -0.35 -0.43 0.00 -3.05 0.00 0.00 64.05 60.13 2juf n THR 21 Cb 0.97 0.92 -0.02 0.00 -1.55 0.00 0.00 70.33 70.65 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 -2.04 4.07 -0.11 1.09 2.01 0.07 -5.03 118.68 118.75 2juf s LEU 22 Ca 0.33 1.69 -0.12 0.00 0.01 0.00 0.00 54.13 56.04 2juf s LEU 22 Cb 0.20 -3.54 -0.05 0.00 0.01 0.00 0.00 46.19 42.82 2juf s LEU 22 CO 0.34 -1.00 0.26 -1.10 1.01 0.00 0.00 176.35 175.86 2juf s GLN 23 N 4.07 3.92 -1.06 1.70 -0.21 -1.26 -5.02 119.66 121.80 2juf s GLN 23 Ca 0.63 0.09 -0.26 0.00 0.02 0.00 0.00 55.36 55.85 2juf s GLN 23 Cb -0.24 -3.30 -0.18 0.00 1.00 0.00 0.00 33.01 30.29 2juf s GLN 23 CO 0.23 0.52 2.11 -2.14 -2.12 0.00 0.00 175.29 173.90 2juf s PRO 24 N -0.40 1.58 0.00 2.91 0.02 -1.26 -1.75 135.00 136.10 2juf s PRO 24 Ca 0.17 -0.45 0.00 0.00 0.02 0.00 0.00 61.00 60.74 2juf s PRO 24 Cb -0.13 -5.01 0.00 0.00 0.02 0.00 0.00 34.50 29.37 2juf s PRO 24 CO 0.06 -4.94 0.00 0.41 -0.33 0.00 0.00 177.00 172.20 2juf n GLY 25 N 6.21 0.58 3.94 0.52 0.00 -0.61 -4.99 105.19 110.83 2juf n GLY 25 Ca 0.43 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.20 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 3.11 -0.06 1.61 0.23 -0.72 -4.82 119.30 118.65 2juf s MET 26 Ca 0.00 -0.27 -0.26 0.00 -1.03 0.00 0.00 55.69 54.13 2juf s MET 26 Cb 0.00 -2.46 -0.03 0.00 -1.53 0.00 0.00 34.83 30.80 2juf s MET 26 CO 0.00 -0.36 0.83 0.50 -2.03 0.00 0.00 175.02 173.96 2juf s ARG 27 N -4.68 4.46 0.44 3.16 6.06 -1.26 -1.48 118.95 125.65 2juf s ARG 27 Ca 0.49 1.11 0.06 0.00 -2.50 0.00 0.00 55.73 54.89 2juf s ARG 27 Cb -0.10 -3.47 -0.04 0.00 0.06 0.00 0.00 34.95 31.39 2juf s ARG 27 CO 0.41 -0.04 0.14 0.14 -2.50 0.00 0.00 175.30 173.45 2juf s VAL 28 N 1.09 2.02 -0.01 7.11 -7.23 -0.59 -1.17 120.40 121.60 2juf s VAL 28 Ca 0.43 -1.78 -0.02 0.00 -1.81 0.00 0.00 61.98 58.80 2juf s VAL 28 Cb -0.19 -2.80 0.00 0.00 0.56 0.00 0.00 36.38 33.96 2juf s VAL 28 CO 0.21 0.00 0.05 -0.60 -0.31 0.00 0.00 175.10 174.45 2juf s ARG 29 N -3.90 0.13 -0.45 4.82 6.06 0.15 -1.93 118.95 123.84 2juf s ARG 29 Ca 0.34 -0.04 -0.24 0.00 -2.50 0.00 0.00 55.73 53.29 2juf s ARG 29 Cb 0.04 0.05 0.02 0.00 0.06 0.00 0.00 34.95 35.13 2juf s ARG 29 CO 0.19 -0.02 0.86 1.41 -2.50 0.00 0.00 175.30 175.24 2juf s MET 30 N -0.25 3.51 0.12 5.12 -2.45 0.52 -1.35 119.30 124.52 2juf s MET 30 Ca -0.03 0.09 0.08 0.00 -1.25 0.00 0.00 55.69 54.59 2juf s MET 30 Cb -0.02 -3.92 -0.18 0.00 1.25 0.00 0.00 34.83 31.96 2juf s MET 30 CO 0.00 -1.15 1.23 1.25 1.05 0.00 0.00 175.02 177.40 2juf h LEU 31 N 10.33 0.00 -7.87 4.11 5.85 -1.59 0.18 115.31 126.33 2juf h LEU 31 Ca -0.24 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.33 2juf h LEU 31 Cb 1.08 0.00 -0.20 0.00 0.37 0.00 0.00 40.66 41.91 2juf h LEU 31 CO 0.99 0.94 -0.56 -0.62 -0.34 0.00 0.00 178.44 178.86 2juf s ASP 32 N -6.61 0.14 0.60 1.25 2.15 -1.24 -4.83 116.67 108.13 2juf s ASP 32 Ca 0.01 -0.40 -0.18 0.00 0.43 0.00 0.00 52.55 52.40 2juf s ASP 32 Cb 0.10 0.18 -0.03 0.00 -0.30 0.00 0.00 42.92 42.87 2juf s ASP 32 CO 0.81 -0.40 1.18 1.51 -0.17 0.00 0.00 175.17 178.10 2juf s ASP 33 N -1.68 5.18 0.30 -0.34 -4.77 -1.26 -4.47 116.67 109.63 2juf s ASP 33 Ca -0.11 2.30 0.03 0.00 -3.30 0.00 0.00 52.55 51.46 2juf s ASP 33 Cb -0.06 -2.59 -0.05 0.00 -1.09 0.00 0.00 42.92 39.14 2juf s ASP 33 CO -0.01 -1.59 0.11 -0.31 0.70 0.00 0.00 175.17 174.06 2juf s TYR 34 N -1.75 1.66 0.22 2.11 1.51 0.07 -4.90 117.35 116.27 2juf s TYR 34 Ca 0.75 -1.21 -0.10 0.00 -1.01 0.00 0.00 57.07 55.51 2juf s TYR 34 Cb -0.28 -0.99 0.33 0.00 -0.11 0.00 0.00 41.96 40.91 2juf s TYR 34 CO 0.34 -0.32 1.66 0.93 -1.11 0.00 0.00 175.55 177.05 2juf h GLU 35 N 2.22 0.14 0.00 -0.62 4.39 -1.98 -3.22 114.58 115.51 2juf h GLU 35 Ca -0.37 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.32 2juf h GLU 35 Cb 1.25 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.87 2juf h GLU 35 CO 0.59 0.09 0.00 -0.85 -1.16 0.00 0.00 179.01 177.68 2juf n GLU 36 N -5.26 0.08 -4.88 2.33 0.28 -1.26 -5.05 120.64 106.87 2juf n GLU 36 Ca 0.10 -0.47 -0.31 0.00 -0.16 0.00 0.00 57.16 56.33 2juf n GLU 36 Cb 0.37 -0.75 -0.14 0.00 1.43 0.00 0.00 31.44 32.35 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 -0.14 2.37 0.06 3.84 1.09 -1.22 -4.28 121.20 122.91 2juf s ILE 37 Ca 0.00 -1.27 -0.02 0.00 -1.10 0.00 0.00 60.65 58.27 2juf s ILE 37 Cb 0.00 -1.94 -0.04 0.00 -1.06 0.00 0.00 42.46 39.42 2juf s ILE 37 CO 0.00 0.39 0.24 -0.44 -0.10 0.00 0.00 174.94 175.03 2juf s SER 38 N -1.20 6.40 -0.04 3.58 0.01 -1.26 -0.75 113.70 120.43 2juf s SER 38 Ca 0.12 0.37 -0.29 0.00 1.31 0.00 0.00 55.95 57.46 2juf s SER 38 Cb -0.10 -2.00 -0.07 0.00 0.21 0.00 0.00 66.02 64.05 2juf s SER 38 CO 0.03 0.17 1.99 0.00 0.41 0.00 0.00 173.24 175.84 2juf s ALA 39 N -1.48 3.37 0.00 1.44 0.00 -1.26 -1.74 121.76 122.09 2juf s ALA 39 Ca 0.34 1.13 0.00 0.00 0.00 0.00 0.00 51.96 53.43 2juf s ALA 39 Cb -0.13 -3.89 0.00 0.00 0.00 0.00 0.00 23.12 19.10 2juf s ALA 39 CO 0.25 -1.86 0.00 0.41 0.00 0.00 0.00 175.76 174.55 2juf n GLY 40 N 4.80 1.97 3.78 0.00 0.00 0.05 -4.96 105.19 110.84 2juf n GLY 40 Ca 0.22 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.90 2juf n GLY 40 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2juf s ASP 41 N -1.83 5.87 0.07 1.61 2.15 -0.71 -4.71 116.67 119.12 2juf s ASP 41 Ca 0.00 2.04 0.09 0.00 0.43 0.00 0.00 52.55 55.10 2juf s ASP 41 Cb 0.00 -2.57 -0.03 0.00 -0.30 0.00 0.00 42.92 40.02 2juf s ASP 41 CO 0.00 -1.11 -0.23 -1.61 -0.17 0.00 0.00 175.17 172.05 2juf s GLU 42 N -3.44 1.81 0.00 4.34 2.02 -1.26 -0.35 118.70 121.81 2juf s GLU 42 Ca 0.69 -1.13 0.00 0.00 0.02 0.00 0.00 54.97 54.56 2juf s GLU 42 Cb -0.20 -2.05 0.00 0.00 0.10 0.00 0.00 34.13 31.98 2juf s GLU 42 CO 0.27 0.50 0.00 0.41 0.02 0.00 0.00 175.26 176.47 2juf n GLY 43 N 1.42 5.37 2.98 -1.39 0.00 -0.81 -3.10 105.19 109.66 2juf n GLY 43 Ca -0.17 -1.90 -0.15 0.00 0.00 0.00 0.00 46.02 43.81 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 -0.61 0.42 -0.18 1.61 2.12 -0.93 -1.55 118.70 119.59 2juf s GLU 44 Ca 0.00 -0.32 -0.29 0.00 0.36 0.00 0.00 54.97 54.71 2juf s GLU 44 Cb 0.00 -0.35 -0.01 0.00 0.26 0.00 0.00 34.13 34.03 2juf s GLU 44 CO 0.00 0.09 1.25 0.12 -0.54 0.00 0.00 175.26 176.18 2juf s PHE 45 N -0.45 2.86 -0.17 5.30 5.36 -0.55 -1.99 117.98 128.35 2juf s PHE 45 Ca -0.01 1.02 -0.08 0.00 -0.96 0.00 0.00 56.93 56.90 2juf s PHE 45 Cb -0.04 -3.53 -0.07 0.00 -0.34 0.00 0.00 43.02 39.04 2juf s PHE 45 CO -0.00 -1.64 -0.21 0.54 -1.46 0.00 0.00 175.22 172.45 2juf n ARG 46 N 6.66 0.35 -3.59 10.12 5.12 -1.24 -1.58 116.66 132.50 2juf n ARG 46 Ca 0.14 0.15 -0.08 0.00 -1.93 0.00 0.00 57.85 56.13 2juf n ARG 46 Cb 0.45 -1.10 -0.02 0.00 -1.16 0.00 0.00 32.46 30.63 2juf n ARG 46 CO 0.00 0.00 0.00 1.14 -1.93 0.00 0.00 177.63 176.84 2juf s GLN 47 N -2.30 1.11 0.35 5.56 0.00 -1.23 -4.87 119.66 118.27 2juf s GLN 47 Ca -0.23 -0.50 -0.17 0.00 -0.00 0.00 0.00 55.36 54.46 2juf s GLN 47 Cb 0.09 0.45 0.06 0.00 0.00 0.00 0.00 33.01 33.61 2juf s GLN 47 CO 0.30 -0.50 0.85 -1.54 0.00 0.00 0.00 175.29 174.40 2juf s SER 48 N -2.71 0.03 -0.05 12.60 1.04 -1.26 -2.88 113.70 120.48 2juf s SER 48 Ca 0.07 -1.09 0.01 0.00 0.48 0.00 0.00 55.95 55.42 2juf s SER 48 Cb -0.02 0.78 0.02 0.00 0.10 0.00 0.00 66.02 66.91 2juf s SER 48 CO -0.05 -1.56 -0.05 0.20 0.98 0.00 0.00 173.24 172.75 2juf s ASN 49 N -3.17 1.13 0.12 7.02 0.01 -1.26 -5.03 114.94 113.76 2juf s ASN 49 Ca 0.17 -0.16 -0.01 0.00 -0.71 0.00 0.00 52.86 52.16 2juf s ASN 49 Cb -0.05 -0.51 -0.17 0.00 0.41 0.00 0.00 41.25 40.93 2juf s ASN 49 CO 0.10 -0.05 1.25 0.78 -1.51 0.00 0.00 177.10 177.68 2juf h ASN 50 N 7.23 0.33 0.54 -1.22 2.35 -1.96 -3.33 115.58 119.52 2juf h ASN 50 Ca -0.36 -0.31 -0.29 0.00 -0.55 0.00 0.00 56.30 54.79 2juf h ASN 50 Cb 1.16 -0.10 -0.03 0.00 0.05 0.00 0.00 38.32 39.39 2juf h ASN 50 CO 0.46 1.19 -1.55 1.23 -1.65 0.00 0.00 177.43 177.11 2juf h GLY 51 N 1.82 0.12 -7.12 2.83 0.00 -2.01 -3.41 103.07 95.29 2juf h GLY 51 Ca -0.08 -0.29 -0.76 0.00 0.00 0.00 0.00 47.33 46.20 2juf h GLY 51 CO 0.17 0.26 -0.24 -0.42 0.00 0.00 0.00 176.54 176.31 2juf s ILE 52 N -2.62 5.19 0.52 2.60 -1.09 -1.25 -5.02 121.20 119.53 2juf s ILE 52 Ca -0.07 -1.45 0.36 0.00 -2.23 0.00 0.00 60.65 57.26 2juf s ILE 52 Cb 0.08 -4.30 0.39 0.00 -1.58 0.00 0.00 42.46 37.05 2juf s ILE 52 CO 0.83 -0.83 2.23 1.55 -1.23 0.00 0.00 174.94 177.49 2juf h PRO 53 N 8.86 0.00 -5.77 2.79 0.13 -1.81 -3.36 132.00 132.83 2juf h PRO 53 Ca -0.30 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.34 2juf h PRO 53 Cb 1.10 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 2juf h PRO 53 CO 1.02 0.03 1.54 -1.25 -0.23 0.00 0.00 178.00 179.10 2juf s PRO 54 N -4.19 2.40 -0.00 1.56 0.04 -1.26 -3.76 135.00 129.79 2juf s PRO 54 Ca -0.04 1.31 -0.20 0.00 0.04 0.00 0.00 61.00 62.11 2juf s PRO 54 Cb 0.13 -4.50 -0.05 0.00 0.04 0.00 0.00 34.50 30.12 2juf s PRO 54 CO 0.49 -2.95 0.58 0.54 0.04 0.00 0.00 177.00 175.71 2juf s VAL 55 N 10.81 4.91 -0.23 -0.36 0.11 -0.22 -4.41 120.40 131.01 2juf s VAL 55 Ca 0.90 1.22 -0.19 0.00 -2.93 0.00 0.00 61.98 60.98 2juf s VAL 55 Cb -0.18 -3.92 -0.03 0.00 -1.53 0.00 0.00 36.38 30.72 2juf s VAL 55 CO 0.26 0.43 0.56 -1.10 -3.33 0.00 0.00 175.10 171.92 2juf s GLN 56 N -0.25 4.14 -0.02 1.54 1.11 -1.14 -1.36 119.66 123.68 2juf s GLN 56 Ca 0.30 0.45 0.02 0.00 0.01 0.00 0.00 55.36 56.14 2juf s GLN 56 Cb -0.18 -3.61 0.00 0.00 -1.01 0.00 0.00 33.01 28.21 2juf s GLN 56 CO 0.17 -0.28 -0.05 0.14 0.01 0.00 0.00 175.29 175.27 2juf s VAL 57 N 2.08 0.47 -0.57 1.09 -7.23 -0.97 -3.54 120.40 111.73 2juf s VAL 57 Ca 0.24 -0.20 -0.27 0.00 -1.81 0.00 0.00 61.98 59.95 2juf s VAL 57 Cb -0.16 -0.43 0.03 0.00 0.56 0.00 0.00 36.38 36.38 2juf s VAL 57 CO 0.09 0.16 1.10 0.12 -0.31 0.00 0.00 175.10 176.26 2juf s PHE 58 N 0.21 2.68 -0.13 2.82 5.36 -0.84 -1.52 117.98 126.57 2juf s PHE 58 Ca -0.02 0.27 -0.16 0.00 -0.96 0.00 0.00 56.93 56.06 2juf s PHE 58 Cb -0.06 -4.34 -0.05 0.00 -0.34 0.00 0.00 43.02 38.23 2juf s PHE 58 CO -0.00 -1.49 0.38 -1.58 -1.46 0.00 0.00 175.22 171.07 2juf s TRP 59 N 4.56 3.51 0.17 10.12 0.52 -0.38 -2.18 118.94 135.26 2juf s TRP 59 Ca 0.38 0.75 0.22 0.00 0.02 0.00 0.00 56.10 57.48 2juf s TRP 59 Cb -0.09 -2.42 0.89 0.00 -1.15 0.00 0.00 33.47 30.69 2juf s TRP 59 CO 0.23 0.25 1.82 -0.56 0.02 0.00 0.00 176.95 178.71 2juf h GLN 60 N 6.51 0.00 -0.37 4.98 3.07 -1.85 0.41 115.11 127.86 2juf h GLN 60 Ca -0.42 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.31 2juf h GLN 60 Cb 1.18 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.72 2juf h GLN 60 CO 0.74 0.26 0.19 0.66 0.09 0.00 0.00 178.83 180.78 2juf h SER 61 N 0.00 0.48 0.04 0.06 4.64 -1.91 -3.23 113.55 113.64 2juf h SER 61 Ca -0.00 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 2juf h SER 61 Cb 0.76 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 2juf h SER 61 CO 0.03 0.45 -1.74 1.07 -0.87 0.00 0.00 176.83 175.77 2juf n THR 62 N -4.73 0.02 -1.04 2.95 5.66 -1.23 -5.00 114.28 110.91 2juf n THR 62 Ca -0.00 -0.40 -0.01 0.00 -3.05 0.00 0.00 64.05 60.59 2juf n THR 62 Cb 0.10 0.19 -0.01 0.00 -1.55 0.00 0.00 70.33 69.06 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 1.31 0.49 3.61 1.09 0.00 0.11 -5.02 105.19 106.78 2juf n GLY 63 Ca -0.02 -0.94 -0.09 0.00 0.00 0.00 0.00 46.02 44.97 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 -1.97 1.57 -0.08 1.61 1.70 -1.05 -4.95 118.95 115.78 2juf s ARG 64 Ca 0.00 -1.24 -0.23 0.00 -0.47 0.00 0.00 55.73 53.78 2juf s ARG 64 Cb 0.00 0.48 -0.03 0.00 -0.57 0.00 0.00 34.95 34.82 2juf s ARG 64 CO 0.00 -0.66 0.71 0.99 -1.08 0.00 0.00 175.30 175.26 2juf s THR 65 N -4.00 5.03 0.10 4.99 2.01 -1.26 -1.25 115.64 121.27 2juf s THR 65 Ca 0.22 1.45 0.04 0.00 0.31 0.00 0.00 61.69 63.71 2juf s THR 65 Cb -0.01 -4.04 -0.04 0.00 0.01 0.00 0.00 72.50 68.42 2juf s THR 65 CO 0.09 0.23 -0.11 -0.47 -0.69 0.00 0.00 174.62 173.66 2juf s TYR 66 N 0.96 1.15 -0.68 4.92 5.04 -0.58 -4.84 117.35 123.33 2juf s TYR 66 Ca 0.37 -0.61 -0.24 0.00 -2.44 0.00 0.00 57.07 54.15 2juf s TYR 66 Cb -0.18 -0.62 0.05 0.00 0.35 0.00 0.00 41.96 41.57 2juf s TYR 66 CO 0.17 0.04 1.07 -1.58 -1.34 0.00 0.00 175.55 173.91 2juf s TRP 67 N -2.27 2.55 0.30 4.97 0.51 -1.26 -2.29 118.94 121.46 2juf s TRP 67 Ca 0.06 -0.34 0.10 0.00 -2.12 0.00 0.00 56.10 53.80 2juf s TRP 67 Cb -0.04 -4.39 -0.05 0.00 -0.81 0.00 0.00 33.47 28.18 2juf s TRP 67 CO 0.01 -1.77 -0.07 0.14 -0.51 0.00 0.00 176.95 174.75 2juf s VAL 68 N 4.62 2.75 0.18 4.03 -7.23 -0.46 -4.89 120.40 119.40 2juf s VAL 68 Ca 0.27 -2.12 -0.11 0.00 -1.81 0.00 0.00 61.98 58.21 2juf s VAL 68 Cb -0.14 -2.63 -0.07 0.00 0.56 0.00 0.00 36.38 34.11 2juf s VAL 68 CO 0.13 -0.31 0.51 -2.28 -0.31 0.00 0.00 175.10 172.84 2juf s HIS 69 N -2.47 3.50 0.17 2.82 2.46 -1.26 -1.06 115.29 119.45 2juf s HIS 69 Ca 0.32 0.89 -0.14 0.00 0.47 0.00 0.00 55.06 56.59 2juf s HIS 69 Cb -0.03 -2.25 0.08 0.00 -0.13 0.00 0.00 32.58 30.24 2juf s HIS 69 CO 0.18 0.37 1.81 -1.49 -2.47 0.00 0.00 174.74 173.13 2juf h TRP 70 N 3.04 0.52 0.00 3.88 4.06 -1.88 -2.01 115.95 123.56 2juf h TRP 70 Ca -0.48 0.02 -0.01 0.00 2.06 0.00 0.00 58.89 60.48 2juf h TRP 70 Cb 1.18 -0.17 -0.00 0.00 -1.00 0.00 0.00 29.16 29.17 2juf h TRP 70 CO 0.63 0.30 -0.05 1.25 -3.56 0.00 0.00 178.44 177.01 2juf h HIS 71 N 0.56 0.00 -0.66 0.49 2.76 -1.86 -1.02 115.15 115.43 2juf h HIS 71 Ca 0.19 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.36 2juf h HIS 71 Cb 0.01 0.00 0.00 0.00 1.55 0.00 0.00 27.41 28.97 2juf h HIS 71 CO -0.07 0.05 0.00 -1.33 -1.30 0.00 0.00 177.93 175.28 2juf n MET 72 N -3.26 2.73 -3.88 5.26 2.81 -0.93 -4.81 117.12 115.04 2juf n MET 72 Ca -0.01 -2.55 -0.35 0.00 -1.81 0.00 0.00 57.70 52.98 2juf n MET 72 Cb 0.24 -1.52 -0.13 0.00 -0.71 0.00 0.00 33.22 31.10 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 -1.03 3.11 0.09 4.03 0.20 -0.39 -1.47 118.68 123.23 2juf s LEU 73 Ca 0.44 -0.31 0.04 0.00 0.69 0.00 0.00 54.13 55.00 2juf s LEU 73 Cb 0.23 -1.81 -0.04 0.00 -0.43 0.00 0.00 46.19 44.14 2juf s LEU 73 CO 0.31 -0.01 0.05 -0.70 -0.29 0.00 0.00 176.35 175.70 2juf s GLU 74 N 1.46 2.74 -0.24 1.98 2.12 -0.46 -4.90 118.70 121.40 2juf s GLU 74 Ca 0.05 -0.76 -0.03 0.00 0.36 0.00 0.00 54.97 54.60 2juf s GLU 74 Cb -0.15 -2.65 0.02 0.00 0.26 0.00 0.00 34.13 31.61 2juf s GLU 74 CO -0.00 0.55 -0.05 0.96 -0.54 0.00 0.00 175.26 176.18 2juf s ILE 75 N -1.37 3.06 -1.51 -3.70 -4.36 -1.26 0.32 121.20 112.37 2juf s ILE 75 Ca 0.28 -0.85 0.19 0.00 -0.26 0.00 0.00 60.65 60.01 2juf s ILE 75 Cb -0.12 -2.50 0.61 0.00 1.25 0.00 0.00 42.46 41.70 2juf s ILE 75 CO 0.21 0.26 1.51 0.18 0.24 0.00 0.00 174.94 177.34 2juf n LEU 76 N 4.72 4.00 0.00 0.37 4.77 -1.22 -4.96 117.00 124.68 2juf n LEU 76 Ca -0.17 -2.15 0.04 0.00 -0.03 0.00 0.00 56.01 53.70 2juf n LEU 76 Cb 0.48 -0.47 0.25 0.00 -2.33 0.00 0.00 43.42 41.35 2juf n LEU 76 CO 0.28 0.89 0.48 0.61 -1.33 0.00 0.00 177.39 178.31