#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 0.93 1.87 2.98 0.00 -1.84 -1.61 103.07 105.40 2juf h GLY 15 Ca 0.00 -0.77 -0.14 0.00 0.00 0.00 0.00 47.33 46.42 2juf h GLY 15 CO 0.00 0.70 -0.62 0.83 0.00 0.00 0.00 176.54 177.45 2juf h GLU 16 N 0.76 0.14 0.03 4.80 3.07 -2.00 -2.54 114.58 118.84 2juf h GLU 16 Ca 0.11 -0.10 -0.00 0.00 -0.50 0.00 0.00 59.36 58.87 2juf h GLU 16 Cb 0.70 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.63 2juf h GLU 16 CO 0.05 0.71 -0.01 -0.92 -1.40 0.00 0.00 179.01 177.44 2juf h TYR 17 N 0.10 -0.03 -0.53 4.33 3.20 -1.90 -3.14 116.97 119.00 2juf h TYR 17 Ca -0.01 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.81 2juf h TYR 17 Cb 1.12 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 39.38 2juf h TYR 17 CO 0.01 0.33 0.13 -0.39 -1.64 0.00 0.00 178.16 176.60 2juf h VAL 18 N -0.41 1.22 -0.75 1.81 -1.51 -1.33 -2.10 116.25 113.18 2juf h VAL 18 Ca -0.00 -0.80 0.14 0.00 -1.23 0.00 0.00 66.70 64.81 2juf h VAL 18 Cb 0.38 0.68 -0.05 0.00 -2.13 0.00 0.00 31.29 30.17 2juf h VAL 18 CO 0.01 0.30 0.50 -0.61 -1.23 0.00 0.00 177.57 176.54 2juf h GLN 19 N 0.78 0.42 0.15 5.19 -0.00 -1.44 0.25 115.11 120.47 2juf h GLN 19 Ca 0.17 -0.03 -0.32 0.00 -0.00 0.00 0.00 58.65 58.48 2juf h GLN 19 Cb 0.28 -0.10 0.00 0.00 0.00 0.00 0.00 27.48 27.67 2juf h GLN 19 CO -0.00 0.28 -1.59 1.96 0.00 0.00 0.00 178.83 179.48 2juf h GLN 20 N 0.44 0.32 -0.26 1.69 1.08 -1.34 -3.36 115.11 113.68 2juf h GLN 20 Ca 0.37 -0.55 0.00 0.00 -1.45 0.00 0.00 58.65 57.02 2juf h GLN 20 Cb 0.82 0.21 0.00 0.00 -0.05 0.00 0.00 27.48 28.45 2juf h GLN 20 CO -0.12 1.21 0.00 -2.37 -0.95 0.00 0.00 178.83 176.60 2juf n THR 21 N -3.52 0.37 -2.35 -0.54 5.66 -0.90 -4.89 114.28 108.11 2juf n THR 21 Ca -0.19 -0.69 -0.42 0.00 -3.05 0.00 0.00 64.05 59.70 2juf n THR 21 Cb 1.06 1.09 -0.02 0.00 -1.55 0.00 0.00 70.33 70.90 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 -1.47 3.51 -0.04 1.09 1.43 0.84 -5.01 118.68 119.03 2juf s LEU 22 Ca 0.32 0.64 -0.24 0.00 -1.03 0.00 0.00 54.13 53.82 2juf s LEU 22 Cb 0.19 -3.36 -0.04 0.00 0.03 0.00 0.00 46.19 43.02 2juf s LEU 22 CO 0.28 -1.56 0.73 -1.10 0.23 0.00 0.00 176.35 174.93 2juf s GLN 23 N 5.20 4.45 -1.03 1.70 -0.21 -1.26 -4.96 119.66 123.55 2juf s GLN 23 Ca 0.59 0.95 -0.26 0.00 0.02 0.00 0.00 55.36 56.65 2juf s GLN 23 Cb -0.13 -3.43 -0.21 0.00 1.00 0.00 0.00 33.01 30.24 2juf s GLN 23 CO 0.30 0.09 2.17 -2.14 -2.12 0.00 0.00 175.29 173.59 2juf s PRO 24 N 0.68 1.29 0.00 2.91 0.02 -1.26 -1.07 135.00 137.57 2juf s PRO 24 Ca 0.39 -0.27 0.00 0.00 0.02 0.00 0.00 61.00 61.14 2juf s PRO 24 Cb -0.18 -4.95 0.00 0.00 0.02 0.00 0.00 34.50 29.39 2juf s PRO 24 CO 0.20 -5.27 0.00 0.41 -0.33 0.00 0.00 177.00 172.01 2juf n GLY 25 N 6.27 0.79 3.98 0.52 0.00 0.46 -4.96 105.19 112.25 2juf n GLY 25 Ca 0.43 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.22 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 2.05 -0.15 1.61 0.23 -0.23 -4.79 119.30 118.02 2juf s MET 26 Ca 0.00 -0.86 -0.13 0.00 -1.03 0.00 0.00 55.69 53.66 2juf s MET 26 Cb 0.00 -2.36 -0.05 0.00 -1.53 0.00 0.00 34.83 30.89 2juf s MET 26 CO 0.00 -1.16 0.29 0.50 -2.03 0.00 0.00 175.02 172.62 2juf s ARG 27 N -5.03 4.18 0.18 3.16 6.06 -1.26 -1.36 118.95 124.89 2juf s ARG 27 Ca 0.62 0.10 0.11 0.00 -2.50 0.00 0.00 55.73 54.06 2juf s ARG 27 Cb -0.08 -3.40 -0.04 0.00 0.06 0.00 0.00 34.95 31.49 2juf s ARG 27 CO 0.42 0.31 -0.22 0.08 -2.50 0.00 0.00 175.30 173.38 2juf s VAL 28 N 0.26 2.19 0.05 7.11 1.01 -0.39 -1.62 120.40 129.01 2juf s VAL 28 Ca 0.17 -1.99 0.05 0.00 0.00 0.00 0.00 61.98 60.21 2juf s VAL 28 Cb -0.13 -2.03 -0.02 0.00 0.00 0.00 0.00 36.38 34.20 2juf s VAL 28 CO 0.04 -0.17 -0.15 -0.60 0.00 0.00 0.00 175.10 174.23 2juf s ARG 29 N -2.68 0.93 -0.19 2.72 6.06 -0.28 -1.94 118.95 123.58 2juf s ARG 29 Ca 0.19 -0.84 -0.12 0.00 -2.50 0.00 0.00 55.73 52.46 2juf s ARG 29 Cb -0.07 -0.96 -0.05 0.00 0.06 0.00 0.00 34.95 33.93 2juf s ARG 29 CO 0.09 0.23 0.20 1.41 -2.50 0.00 0.00 175.30 174.73 2juf s MET 30 N -1.34 4.21 0.00 5.12 -2.45 -0.00 -1.16 119.30 123.67 2juf s MET 30 Ca 0.01 -0.10 0.16 0.00 -1.25 0.00 0.00 55.69 54.51 2juf s MET 30 Cb -0.09 -3.44 0.20 0.00 1.25 0.00 0.00 34.83 32.76 2juf s MET 30 CO 0.02 0.25 1.08 1.47 1.05 0.00 0.00 175.02 178.89 2juf n LEU 31 N 3.64 2.55 -4.21 4.11 -0.00 -1.14 -1.39 117.00 120.56 2juf n LEU 31 Ca -0.14 -1.24 -0.14 0.00 -0.00 0.00 0.00 56.01 54.49 2juf n LEU 31 Cb 0.52 -0.08 -0.09 0.00 -0.00 0.00 0.00 43.42 43.77 2juf n LEU 31 CO 0.38 0.51 -0.19 -0.62 -0.00 0.00 0.00 177.39 177.48 2juf s ASP 32 N -1.24 0.52 0.19 1.45 2.15 -1.26 -4.88 116.67 113.60 2juf s ASP 32 Ca 0.22 -1.46 -0.25 0.00 0.43 0.00 0.00 52.55 51.48 2juf s ASP 32 Cb 0.14 0.44 -0.08 0.00 -0.30 0.00 0.00 42.92 43.11 2juf s ASP 32 CO 0.20 -0.91 0.80 -0.62 -0.17 0.00 0.00 175.17 174.47 2juf s ASP 33 N -3.21 7.39 0.32 -0.34 2.15 -1.26 -2.57 116.67 119.15 2juf s ASP 33 Ca 0.39 1.68 0.03 0.00 0.43 0.00 0.00 52.55 55.07 2juf s ASP 33 Cb 0.05 -2.51 -0.04 0.00 -0.30 0.00 0.00 42.92 40.12 2juf s ASP 33 CO 0.16 0.17 0.11 -0.31 -0.17 0.00 0.00 175.17 175.13 2juf s TYR 34 N -1.22 1.71 0.25 -5.34 1.51 0.28 -4.98 117.35 109.56 2juf s TYR 34 Ca 0.38 -1.21 -0.03 0.00 -1.01 0.00 0.00 57.07 55.19 2juf s TYR 34 Cb -0.23 -1.03 0.49 0.00 -0.11 0.00 0.00 41.96 41.08 2juf s TYR 34 CO 0.26 -0.31 1.72 0.93 -1.11 0.00 0.00 175.55 177.04 2juf h GLU 35 N 2.13 0.39 0.00 -0.62 4.39 -1.98 -3.32 114.58 115.58 2juf h GLU 35 Ca -0.37 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.31 2juf h GLU 35 Cb 1.25 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.82 2juf h GLU 35 CO 0.59 0.26 0.00 -0.85 -1.16 0.00 0.00 179.01 177.85 2juf n GLU 36 N -5.04 0.06 -4.82 2.33 0.28 -1.26 -5.06 120.64 107.13 2juf n GLU 36 Ca 0.15 -0.27 -0.30 0.00 -0.16 0.00 0.00 57.16 56.58 2juf n GLU 36 Cb 0.45 -0.54 -0.14 0.00 1.43 0.00 0.00 31.44 32.63 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 -0.04 2.23 0.31 3.84 1.09 -1.25 -4.44 121.20 122.94 2juf s ILE 37 Ca 0.00 -1.41 0.09 0.00 -1.10 0.00 0.00 60.65 58.22 2juf s ILE 37 Cb 0.00 -1.89 -0.04 0.00 -1.06 0.00 0.00 42.46 39.47 2juf s ILE 37 CO 0.00 0.33 0.08 -0.44 -0.10 0.00 0.00 174.94 174.81 2juf s SER 38 N -1.36 4.61 -0.05 3.58 0.01 -1.26 -0.56 113.70 118.67 2juf s SER 38 Ca 0.12 -0.73 -0.30 0.00 1.31 0.00 0.00 55.95 56.36 2juf s SER 38 Cb -0.10 -0.78 -0.06 0.00 0.21 0.00 0.00 66.02 65.29 2juf s SER 38 CO 0.03 -0.17 1.81 0.00 0.41 0.00 0.00 173.24 175.32 2juf s ALA 39 N -2.38 3.50 0.00 1.44 0.00 -1.06 -2.41 121.76 120.84 2juf s ALA 39 Ca 0.35 1.01 0.00 0.00 0.00 0.00 0.00 51.96 53.32 2juf s ALA 39 Cb -0.04 -3.82 0.00 0.00 0.00 0.00 0.00 23.12 19.26 2juf s ALA 39 CO 0.21 -1.63 0.00 0.41 0.00 0.00 0.00 175.76 174.76 2juf n GLY 40 N 4.46 0.81 3.90 0.00 0.00 -0.49 -4.98 105.19 108.90 2juf n GLY 40 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.42 6.42 0.09 1.61 1.01 -1.01 -4.91 116.67 118.46 2juf s ASP 41 Ca 0.00 0.90 0.08 0.00 0.71 0.00 0.00 52.55 54.25 2juf s ASP 41 Cb 0.00 -2.23 -0.03 0.00 1.01 0.00 0.00 42.92 41.67 2juf s ASP 41 CO 0.00 -0.37 -0.22 -1.61 0.21 0.00 0.00 175.17 173.18 2juf s GLU 42 N -4.01 1.26 0.00 8.23 2.02 -1.26 -0.82 118.70 124.12 2juf s GLU 42 Ca 0.47 -1.14 0.00 0.00 0.02 0.00 0.00 54.97 54.32 2juf s GLU 42 Cb -0.10 -1.52 -0.00 0.00 0.10 0.00 0.00 34.13 32.61 2juf s GLU 42 CO 0.35 0.36 0.00 0.41 0.02 0.00 0.00 175.26 176.40 2juf n GLY 43 N 1.27 3.47 2.94 -1.39 0.00 -0.82 -3.14 105.19 107.52 2juf n GLY 43 Ca -0.19 -1.49 -0.17 0.00 0.00 0.00 0.00 46.02 44.18 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 0.52 -0.21 1.61 2.12 -0.64 -1.27 118.70 118.83 2juf s GLU 44 Ca 0.00 -0.16 -0.29 0.00 0.36 0.00 0.00 54.97 54.88 2juf s GLU 44 Cb 0.00 -0.53 -0.00 0.00 0.26 0.00 0.00 34.13 33.86 2juf s GLU 44 CO 0.00 0.06 1.22 0.12 -0.54 0.00 0.00 175.26 176.12 2juf s PHE 45 N 0.18 2.93 -0.20 5.30 5.36 -0.46 -1.22 117.98 129.86 2juf s PHE 45 Ca -0.02 1.08 -0.07 0.00 -0.96 0.00 0.00 56.93 56.96 2juf s PHE 45 Cb -0.06 -3.55 -0.10 0.00 -0.34 0.00 0.00 43.02 38.98 2juf s PHE 45 CO -0.00 -1.42 -0.24 0.54 -1.46 0.00 0.00 175.22 172.64 2juf n ARG 46 N 6.70 0.45 -3.66 10.12 5.12 -1.25 -0.40 116.66 133.74 2juf n ARG 46 Ca 0.14 0.17 -0.11 0.00 -1.93 0.00 0.00 57.85 56.11 2juf n ARG 46 Cb 0.46 -1.27 -0.05 0.00 -1.16 0.00 0.00 32.46 30.43 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 -2.38 1.01 0.49 5.56 0.00 -1.26 -4.62 119.66 118.46 2juf s GLN 47 Ca -0.28 -0.65 0.04 0.00 -0.00 0.00 0.00 55.36 54.48 2juf s GLN 47 Cb 0.10 0.44 -0.02 0.00 0.00 0.00 0.00 33.01 33.53 2juf s GLN 47 CO 0.38 -0.38 0.13 -1.54 0.00 0.00 0.00 175.29 173.89 2juf s SER 48 N -2.61 4.27 -0.06 12.60 1.04 -1.26 -3.95 113.70 123.73 2juf s SER 48 Ca 0.01 -1.41 0.02 0.00 0.48 0.00 0.00 55.95 55.05 2juf s SER 48 Cb 0.01 0.18 0.01 0.00 0.10 0.00 0.00 66.02 66.33 2juf s SER 48 CO -0.10 -0.80 -0.12 0.20 0.98 0.00 0.00 173.24 173.41 2juf s ASN 49 N -3.95 1.72 0.24 7.02 0.01 -1.26 -4.94 114.94 113.77 2juf s ASN 49 Ca 0.23 -0.29 0.11 0.00 -0.71 0.00 0.00 52.86 52.20 2juf s ASN 49 Cb 0.02 -0.79 0.16 0.00 0.41 0.00 0.00 41.25 41.06 2juf s ASN 49 CO 0.13 0.03 1.49 0.78 -1.51 0.00 0.00 177.10 178.02 2juf h ASN 50 N 6.95 0.00 0.00 -1.22 2.35 -2.01 -3.38 115.58 118.27 2juf h ASN 50 Ca -0.31 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.44 2juf h ASN 50 Cb 1.19 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.56 2juf h ASN 50 CO 0.47 0.70 0.00 0.61 -1.65 0.00 0.00 177.43 177.56 2juf n GLY 51 N 0.78 0.22 3.18 2.83 0.00 -1.26 -5.02 105.19 105.93 2juf n GLY 51 Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.02 3.55 0.34 -0.61 -1.09 -1.26 -5.03 121.20 117.07 2juf s ILE 52 Ca 0.00 -1.69 0.06 0.00 -2.23 0.00 0.00 60.65 56.79 2juf s ILE 52 Cb 0.00 -3.26 0.31 0.00 -1.58 0.00 0.00 42.46 37.93 2juf s ILE 52 CO 0.00 -0.51 1.89 1.55 -1.23 0.00 0.00 174.94 176.64 2juf h PRO 53 N 8.16 0.77 -6.10 2.79 0.13 -1.95 -3.37 132.00 132.43 2juf h PRO 53 Ca -0.18 -0.05 -0.50 0.00 -0.87 0.00 0.00 66.00 64.40 2juf h PRO 53 Cb 1.06 -0.17 -0.05 0.00 0.13 0.00 0.00 31.00 31.96 2juf h PRO 53 CO 0.68 0.51 1.21 -1.25 -0.23 0.00 0.00 178.00 178.93 2juf s PRO 54 N -5.74 2.86 0.38 1.56 0.04 -1.26 -3.55 135.00 129.28 2juf s PRO 54 Ca -0.10 0.15 -0.17 0.00 0.04 0.00 0.00 61.00 60.92 2juf s PRO 54 Cb 0.21 -4.42 -0.10 0.00 0.04 0.00 0.00 34.50 30.23 2juf s PRO 54 CO 0.79 -2.56 0.83 0.54 0.04 0.00 0.00 177.00 176.64 2juf s VAL 55 N 7.80 4.57 -0.14 -0.36 0.11 0.78 -4.50 120.40 128.65 2juf s VAL 55 Ca 0.55 1.15 -0.19 0.00 -2.93 0.00 0.00 61.98 60.56 2juf s VAL 55 Cb -0.10 -3.62 -0.04 0.00 -1.53 0.00 0.00 36.38 31.10 2juf s VAL 55 CO 0.15 -0.28 0.53 -1.10 -3.33 0.00 0.00 175.10 171.08 2juf s GLN 56 N -3.15 4.30 -0.02 1.54 1.11 -1.25 -1.18 119.66 121.00 2juf s GLN 56 Ca 0.57 0.51 0.01 0.00 0.01 0.00 0.00 55.36 56.46 2juf s GLN 56 Cb -0.10 -3.49 0.01 0.00 -1.01 0.00 0.00 33.01 28.43 2juf s GLN 56 CO 0.17 0.02 -0.02 0.14 0.01 0.00 0.00 175.29 175.61 2juf s VAL 57 N 1.05 0.26 -0.53 1.09 -7.23 -1.03 -3.87 120.40 110.13 2juf s VAL 57 Ca 0.27 -0.04 -0.28 0.00 -1.81 0.00 0.00 61.98 60.13 2juf s VAL 57 Cb -0.16 -0.29 0.03 0.00 0.56 0.00 0.00 36.38 36.53 2juf s VAL 57 CO 0.11 0.12 1.12 0.12 -0.31 0.00 0.00 175.10 176.26 2juf s PHE 58 N 0.53 2.73 -0.22 2.82 5.36 -0.36 -1.52 117.98 127.32 2juf s PHE 58 Ca -0.05 0.46 -0.17 0.00 -0.96 0.00 0.00 56.93 56.20 2juf s PHE 58 Cb -0.09 -4.39 -0.03 0.00 -0.34 0.00 0.00 43.02 38.18 2juf s PHE 58 CO -0.01 -1.41 0.48 -1.58 -1.46 0.00 0.00 175.22 171.24 2juf s TRP 59 N 4.55 3.34 0.44 10.12 0.52 -0.50 -1.62 118.94 135.80 2juf s TRP 59 Ca 0.43 0.68 0.17 0.00 0.02 0.00 0.00 56.10 57.40 2juf s TRP 59 Cb -0.08 -2.64 1.09 0.00 -1.15 0.00 0.00 33.47 30.69 2juf s TRP 59 CO 0.27 -0.12 2.01 -0.56 0.02 0.00 0.00 176.95 178.57 2juf h GLN 60 N 7.59 0.00 -0.29 4.98 3.07 -1.84 0.05 115.11 128.66 2juf h GLN 60 Ca -0.33 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.40 2juf h GLN 60 Cb 1.15 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.70 2juf h GLN 60 CO 0.72 0.17 0.15 1.03 0.09 0.00 0.00 178.83 181.00 2juf h SER 61 N 0.00 0.37 0.10 0.06 0.87 -1.93 -3.06 113.55 109.96 2juf h SER 61 Ca -0.00 -0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.46 2juf h SER 61 Cb 0.33 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.19 2juf h SER 61 CO 0.02 0.37 -1.31 1.07 -0.53 0.00 0.00 176.83 176.45 2juf n THR 62 N -4.80 0.04 -0.96 2.23 5.66 -1.22 -5.00 114.28 110.22 2juf n THR 62 Ca -0.02 -0.21 0.00 0.00 -3.05 0.00 0.00 64.05 60.78 2juf n THR 62 Cb 0.09 0.51 0.00 0.00 -1.55 0.00 0.00 70.33 69.38 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 1.40 0.44 3.47 1.09 0.00 -0.04 -5.02 105.19 106.54 2juf n GLY 63 Ca 0.01 -0.70 -0.09 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.28 1.33 -0.36 1.61 1.70 -0.97 -4.97 118.95 116.01 2juf s ARG 64 Ca 0.00 -1.04 -0.23 0.00 -0.47 0.00 0.00 55.73 53.98 2juf s ARG 64 Cb 0.00 0.46 0.01 0.00 -0.57 0.00 0.00 34.95 34.85 2juf s ARG 64 CO 0.00 -0.54 0.80 0.99 -1.08 0.00 0.00 175.30 175.47 2juf s THR 65 N -3.93 4.72 0.15 4.99 2.01 -1.26 -1.42 115.64 120.90 2juf s THR 65 Ca 0.14 0.92 0.09 0.00 0.31 0.00 0.00 61.69 63.15 2juf s THR 65 Cb 0.01 -4.22 -0.04 0.00 0.01 0.00 0.00 72.50 68.25 2juf s THR 65 CO 0.00 -0.44 -0.19 -0.47 -0.69 0.00 0.00 174.62 172.83 2juf s TYR 66 N 3.14 1.83 -0.31 4.92 5.04 -0.58 -4.81 117.35 126.58 2juf s TYR 66 Ca 0.32 -0.45 -0.26 0.00 -2.44 0.00 0.00 57.07 54.24 2juf s TYR 66 Cb -0.13 -0.94 0.01 0.00 0.35 0.00 0.00 41.96 41.25 2juf s TYR 66 CO 0.17 0.30 0.91 -1.58 -1.34 0.00 0.00 175.55 174.01 2juf s TRP 67 N -1.80 3.18 0.06 4.97 0.52 -1.26 -2.47 118.94 122.14 2juf s TRP 67 Ca 0.14 0.97 0.05 0.00 0.02 0.00 0.00 56.10 57.27 2juf s TRP 67 Cb -0.07 -3.41 -0.03 0.00 -1.15 0.00 0.00 33.47 28.81 2juf s TRP 67 CO 0.06 -0.65 -0.13 0.14 0.02 0.00 0.00 176.95 176.39 2juf s VAL 68 N 3.24 1.04 0.42 4.03 -7.23 -0.33 -4.85 120.40 116.73 2juf s VAL 68 Ca 0.38 -1.23 -0.23 0.00 -1.81 0.00 0.00 61.98 59.09 2juf s VAL 68 Cb -0.13 -1.01 -0.09 0.00 0.56 0.00 0.00 36.38 35.71 2juf s VAL 68 CO 0.14 -0.21 1.02 -2.28 -0.31 0.00 0.00 175.10 173.46 2juf s HIS 69 N -1.22 3.23 0.32 2.82 2.46 -1.26 -0.16 115.29 121.48 2juf s HIS 69 Ca -0.02 1.63 0.06 0.00 0.47 0.00 0.00 55.06 57.20 2juf s HIS 69 Cb -0.10 -3.05 0.72 0.00 -0.13 0.00 0.00 32.58 30.02 2juf s HIS 69 CO 0.02 -0.55 1.82 -1.49 -2.47 0.00 0.00 174.74 172.08 2juf h TRP 70 N 2.19 1.00 0.00 3.88 4.06 -1.87 -1.79 115.95 123.42 2juf h TRP 70 Ca -0.49 0.03 -0.07 0.00 2.06 0.00 0.00 58.89 60.43 2juf h TRP 70 Cb 1.21 -0.31 -0.01 0.00 -1.00 0.00 0.00 29.16 29.05 2juf h TRP 70 CO 0.58 0.32 -0.32 1.25 -3.56 0.00 0.00 178.44 176.72 2juf h HIS 71 N 0.80 0.00 -0.01 0.49 2.76 -1.86 -2.09 115.15 115.24 2juf h HIS 71 Ca 0.51 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.68 2juf h HIS 71 Cb 0.74 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.70 2juf h HIS 71 CO -0.00 0.32 -0.45 -1.33 -1.30 0.00 0.00 177.93 175.17 2juf n MET 72 N -3.93 0.92 -3.15 5.26 2.81 -0.78 -4.70 117.12 113.55 2juf n MET 72 Ca -0.02 -0.69 -0.40 0.00 -1.81 0.00 0.00 57.70 54.78 2juf n MET 72 Cb 0.39 -1.49 -0.06 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 -2.56 4.11 0.08 4.03 0.20 -0.74 -2.90 118.68 120.91 2juf s LEU 73 Ca 0.19 0.74 0.05 0.00 0.69 0.00 0.00 54.13 55.80 2juf s LEU 73 Cb 0.18 -2.82 -0.04 0.00 -0.43 0.00 0.00 46.19 43.08 2juf s LEU 73 CO 0.59 -0.29 -0.05 -0.70 -0.29 0.00 0.00 176.35 175.61 2juf s GLU 74 N 2.07 2.38 -0.24 1.98 2.12 -0.31 -4.90 118.70 121.80 2juf s GLU 74 Ca 0.26 -0.90 -0.11 0.00 0.36 0.00 0.00 54.97 54.59 2juf s GLU 74 Cb -0.16 -2.44 -0.05 0.00 0.26 0.00 0.00 34.13 31.74 2juf s GLU 74 CO 0.09 0.54 0.17 0.96 -0.54 0.00 0.00 175.26 176.48 2juf s ILE 75 N -1.23 5.35 -0.16 -3.70 -4.36 -1.26 -1.12 121.20 114.73 2juf s ILE 75 Ca 0.23 0.21 -0.14 0.00 -0.26 0.00 0.00 60.65 60.68 2juf s ILE 75 Cb -0.11 -3.51 -0.05 0.00 1.25 0.00 0.00 42.46 40.04 2juf s ILE 75 CO 0.15 0.35 -0.28 -0.11 0.24 0.00 0.00 174.94 175.28 2juf n LEU 76 N 4.26 1.74 0.00 0.37 0.00 -0.64 -4.83 117.00 117.90 2juf n LEU 76 Ca -0.15 0.38 0.04 0.00 0.00 0.00 0.00 56.01 56.28 2juf n LEU 76 Cb 0.52 -0.75 0.24 0.00 0.00 0.00 0.00 43.42 43.43 2juf n LEU 76 CO 0.35 -0.34 0.47 0.61 0.00 0.00 0.00 177.39 178.49