#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 0.54 1.05 2.98 0.00 -1.85 -1.55 103.07 104.24 2juf h GLY 15 Ca 0.00 -0.47 -0.16 0.00 0.00 0.00 0.00 47.33 46.70 2juf h GLY 15 CO 0.00 0.42 -0.47 0.83 0.00 0.00 0.00 176.54 177.32 2juf h GLU 16 N 0.44 0.77 0.08 4.80 3.07 -1.99 -2.60 114.58 119.15 2juf h GLU 16 Ca 0.06 -0.49 0.00 0.00 -0.50 0.00 0.00 59.36 58.43 2juf h GLU 16 Cb 0.72 0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 28.69 2juf h GLU 16 CO 0.06 1.11 -0.06 -0.92 -1.40 0.00 0.00 179.01 177.79 2juf h TYR 17 N 0.51 -0.17 -0.80 4.33 3.20 -1.91 -1.83 116.97 120.30 2juf h TYR 17 Ca 0.01 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.84 2juf h TYR 17 Cb 1.08 0.06 -0.04 0.00 1.54 0.00 0.00 36.73 39.38 2juf h TYR 17 CO 0.08 -0.10 0.32 -0.39 -1.64 0.00 0.00 178.16 176.43 2juf h VAL 18 N -0.16 1.26 -0.31 1.81 -1.51 -1.35 -2.58 116.25 113.42 2juf h VAL 18 Ca -0.00 -0.82 0.02 0.00 -1.23 0.00 0.00 66.70 64.67 2juf h VAL 18 Cb 0.14 0.30 -0.03 0.00 -2.13 0.00 0.00 31.29 29.58 2juf h VAL 18 CO -0.01 0.34 0.15 -0.61 -1.23 0.00 0.00 177.57 176.21 2juf h GLN 19 N 1.16 0.31 -0.26 5.19 4.15 -1.24 0.04 115.11 124.47 2juf h GLN 19 Ca 0.27 -0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.64 2juf h GLN 19 Cb 0.21 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.82 2juf h GLN 19 CO -0.02 0.21 0.07 1.96 -1.93 0.00 0.00 178.83 179.11 2juf h GLN 20 N 0.32 0.42 -0.56 1.69 1.08 -1.02 -2.91 115.11 114.13 2juf h GLN 20 Ca 0.13 -0.10 0.00 0.00 -1.45 0.00 0.00 58.65 57.23 2juf h GLN 20 Cb 0.05 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.42 2juf h GLN 20 CO -0.09 0.51 0.00 -2.37 -0.95 0.00 0.00 178.83 175.93 2juf n THR 21 N -4.71 1.02 -2.18 -0.54 5.66 -1.00 -4.92 114.28 107.62 2juf n THR 21 Ca -0.03 -0.74 -0.43 0.00 -3.05 0.00 0.00 64.05 59.80 2juf n THR 21 Cb 0.18 0.12 -0.02 0.00 -1.55 0.00 0.00 70.33 69.05 2juf n THR 21 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 2juf s LEU 22 N -1.25 3.89 0.06 1.09 1.98 -0.01 -5.00 118.68 119.43 2juf s LEU 22 Ca 0.34 1.54 -0.21 0.00 -2.89 0.00 0.00 54.13 52.91 2juf s LEU 22 Cb 0.20 -3.53 -0.06 0.00 0.66 0.00 0.00 46.19 43.46 2juf s LEU 22 CO 0.19 -1.22 0.62 -1.10 -1.89 0.00 0.00 176.35 172.95 2juf s GLN 23 N 4.57 4.32 -0.88 1.98 -0.21 -1.26 -4.99 119.66 123.19 2juf s GLN 23 Ca 0.68 0.83 -0.26 0.00 0.02 0.00 0.00 55.36 56.63 2juf s GLN 23 Cb -0.23 -3.29 -0.13 0.00 1.00 0.00 0.00 33.01 30.36 2juf s GLN 23 CO 0.28 0.51 2.25 -2.14 -2.12 0.00 0.00 175.29 174.07 2juf s PRO 24 N -0.73 1.78 0.00 2.91 0.02 -1.26 -2.55 135.00 135.16 2juf s PRO 24 Ca 0.31 0.11 0.00 0.00 0.02 0.00 0.00 61.00 61.44 2juf s PRO 24 Cb -0.20 -4.89 0.00 0.00 0.02 0.00 0.00 34.50 29.43 2juf s PRO 24 CO 0.20 -4.37 0.00 0.41 -0.33 0.00 0.00 177.00 172.91 2juf n GLY 25 N 6.68 0.97 4.03 0.52 0.00 -1.11 -5.05 105.19 111.23 2juf n GLY 25 Ca 0.45 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.27 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 0.06 2.26 -0.25 1.61 0.23 -1.06 -4.78 119.30 117.38 2juf s MET 26 Ca 0.00 -1.53 -0.14 0.00 -1.03 0.00 0.00 55.69 52.99 2juf s MET 26 Cb 0.00 -2.61 -0.04 0.00 -1.53 0.00 0.00 34.83 30.65 2juf s MET 26 CO 0.00 -0.89 0.32 0.50 -2.03 0.00 0.00 175.02 172.92 2juf s ARG 27 N -4.71 4.05 0.43 3.16 6.06 -1.26 -1.72 118.95 124.97 2juf s ARG 27 Ca 0.62 -0.01 0.06 0.00 -2.50 0.00 0.00 55.73 53.90 2juf s ARG 27 Cb -0.06 -3.61 -0.05 0.00 0.06 0.00 0.00 34.95 31.29 2juf s ARG 27 CO 0.39 -0.16 0.10 0.14 -2.50 0.00 0.00 175.30 173.28 2juf s VAL 28 N 1.70 1.98 -0.02 7.11 -7.23 -0.74 -2.16 120.40 121.03 2juf s VAL 28 Ca 0.14 -1.85 -0.04 0.00 -1.81 0.00 0.00 61.98 58.42 2juf s VAL 28 Cb -0.15 -2.83 0.00 0.00 0.56 0.00 0.00 36.38 33.97 2juf s VAL 28 CO 0.09 0.00 0.10 -0.60 -0.31 0.00 0.00 175.10 174.38 2juf s ARG 29 N -3.85 0.22 -0.16 4.82 6.06 0.44 -2.01 118.95 124.48 2juf s ARG 29 Ca 0.33 -0.05 -0.22 0.00 -2.50 0.00 0.00 55.73 53.29 2juf s ARG 29 Cb 0.06 0.10 -0.03 0.00 0.06 0.00 0.00 34.95 35.14 2juf s ARG 29 CO 0.18 -0.04 0.65 1.41 -2.50 0.00 0.00 175.30 175.00 2juf s MET 30 N -0.42 4.28 0.00 5.12 -2.45 -0.38 -1.20 119.30 124.25 2juf s MET 30 Ca -0.05 0.71 0.15 0.00 -1.25 0.00 0.00 55.69 55.25 2juf s MET 30 Cb -0.03 -3.53 -0.16 0.00 1.25 0.00 0.00 34.83 32.35 2juf s MET 30 CO 0.00 -0.15 0.67 1.47 1.05 0.00 0.00 175.02 178.07 2juf n LEU 31 N 4.66 0.78 -4.34 4.11 -0.00 -1.22 -1.06 117.00 119.94 2juf n LEU 31 Ca -0.01 -0.51 -0.21 0.00 -0.00 0.00 0.00 56.01 55.27 2juf n LEU 31 Cb 0.50 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.81 2juf n LEU 31 CO 0.45 0.19 -0.47 -0.62 -0.00 0.00 0.00 177.39 176.93 2juf s ASP 32 N -2.44 2.69 -0.23 1.45 2.15 -1.25 -4.85 116.67 114.19 2juf s ASP 32 Ca 0.06 -0.89 -0.23 0.00 0.43 0.00 0.00 52.55 51.92 2juf s ASP 32 Cb 0.12 -0.16 -0.01 0.00 -0.30 0.00 0.00 42.92 42.57 2juf s ASP 32 CO 0.63 -0.06 0.73 1.51 -0.17 0.00 0.00 175.17 177.81 2juf s ASP 33 N -2.80 6.73 0.46 -0.34 -4.77 -1.26 -3.13 116.67 111.57 2juf s ASP 33 Ca 0.17 0.90 0.07 0.00 -3.30 0.00 0.00 52.55 50.39 2juf s ASP 33 Cb -0.05 -2.39 -0.01 0.00 -1.09 0.00 0.00 42.92 39.38 2juf s ASP 33 CO 0.07 -0.41 0.31 -0.31 0.70 0.00 0.00 175.17 175.53 2juf s TYR 34 N 2.49 2.25 0.16 2.11 1.51 0.01 -4.97 117.35 120.91 2juf s TYR 34 Ca 0.31 -0.67 -0.21 0.00 -1.01 0.00 0.00 57.07 55.49 2juf s TYR 34 Cb -0.16 -1.99 0.06 0.00 -0.11 0.00 0.00 41.96 39.76 2juf s TYR 34 CO 0.09 -0.14 1.63 0.93 -1.11 0.00 0.00 175.55 176.94 2juf h GLU 35 N 1.07 -0.20 0.00 -0.62 4.39 -1.99 -3.33 114.58 113.90 2juf h GLU 35 Ca -0.40 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.31 2juf h GLU 35 Cb 1.28 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.97 2juf h GLU 35 CO 0.62 -0.13 -1.05 -0.85 -1.16 0.00 0.00 179.01 176.43 2juf n GLU 36 N -5.38 0.57 -4.12 2.33 0.28 -1.26 -5.03 120.64 108.03 2juf n GLU 36 Ca 0.01 -0.02 -0.33 0.00 -0.16 0.00 0.00 57.16 56.65 2juf n GLU 36 Cb 0.30 -1.04 -0.07 0.00 1.43 0.00 0.00 31.44 32.06 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 -2.13 4.64 0.14 3.84 1.01 -1.25 -4.70 121.20 122.75 2juf s ILE 37 Ca -0.01 -0.46 0.07 0.00 0.00 0.00 0.00 60.65 60.24 2juf s ILE 37 Cb 0.02 -3.13 -0.04 0.00 0.01 0.00 0.00 42.46 39.32 2juf s ILE 37 CO 0.12 0.33 -0.02 -0.44 0.00 0.00 0.00 174.94 174.93 2juf s SER 38 N -1.77 4.76 -0.21 3.58 0.01 -1.26 -0.81 113.70 117.99 2juf s SER 38 Ca 0.23 -0.33 -0.29 0.00 1.31 0.00 0.00 55.95 56.87 2juf s SER 38 Cb -0.12 -1.03 -0.04 0.00 0.21 0.00 0.00 66.02 65.05 2juf s SER 38 CO 0.14 0.13 1.80 0.00 0.41 0.00 0.00 173.24 175.73 2juf s ALA 39 N -1.50 3.13 0.00 1.44 0.00 -1.18 -3.05 121.76 120.60 2juf s ALA 39 Ca 0.26 0.59 0.00 0.00 0.00 0.00 0.00 51.96 52.80 2juf s ALA 39 Cb -0.10 -3.92 0.00 0.00 0.00 0.00 0.00 23.12 19.09 2juf s ALA 39 CO 0.17 -2.19 0.00 0.41 0.00 0.00 0.00 175.76 174.15 2juf n GLY 40 N 5.00 1.37 3.92 0.00 0.00 -0.22 -4.96 105.19 110.30 2juf n GLY 40 Ca 0.22 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.98 2juf n GLY 40 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2juf s ASP 41 N -0.10 6.20 0.26 1.61 1.47 -1.17 -4.76 116.67 120.18 2juf s ASP 41 Ca 0.00 0.68 0.08 0.00 1.18 0.00 0.00 52.55 54.49 2juf s ASP 41 Cb 0.00 -2.07 -0.04 0.00 -0.34 0.00 0.00 42.92 40.47 2juf s ASP 41 CO 0.00 -0.51 0.10 -1.61 0.68 0.00 0.00 175.17 173.83 2juf s GLU 42 N -4.58 2.62 0.21 2.11 2.02 -1.26 -1.24 118.70 118.58 2juf s GLU 42 Ca 0.45 -1.23 0.04 0.00 0.02 0.00 0.00 54.97 54.25 2juf s GLU 42 Cb -0.10 -2.37 -0.01 0.00 0.10 0.00 0.00 34.13 31.74 2juf s GLU 42 CO 0.41 0.38 0.20 0.41 0.02 0.00 0.00 175.26 176.69 2juf n GLY 43 N -1.04 3.16 3.01 -1.39 0.00 -0.85 -2.82 105.19 105.26 2juf n GLY 43 Ca -0.07 -1.75 -0.18 0.00 0.00 0.00 0.00 46.02 44.02 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 -2.79 0.64 -0.09 1.61 2.12 -0.82 -1.79 118.70 117.58 2juf s GLU 44 Ca 0.24 -0.31 -0.30 0.00 0.36 0.00 0.00 54.97 54.96 2juf s GLU 44 Cb 0.01 -0.61 -0.04 0.00 0.26 0.00 0.00 34.13 33.75 2juf s GLU 44 CO 0.17 0.17 1.37 0.12 -0.54 0.00 0.00 175.26 176.55 2juf s PHE 45 N -0.24 2.70 -0.16 5.30 5.36 -0.70 -1.90 117.98 128.34 2juf s PHE 45 Ca 0.02 0.81 -0.06 0.00 -0.96 0.00 0.00 56.93 56.75 2juf s PHE 45 Cb -0.03 -3.62 -0.08 0.00 -0.34 0.00 0.00 43.02 38.95 2juf s PHE 45 CO -0.00 -2.30 -0.19 0.54 -1.46 0.00 0.00 175.22 171.81 2juf n ARG 46 N 6.23 0.35 -3.55 10.12 5.12 -1.24 -2.74 116.66 130.95 2juf n ARG 46 Ca 0.14 0.14 -0.12 0.00 -1.93 0.00 0.00 57.85 56.08 2juf n ARG 46 Cb 0.44 -1.13 -0.05 0.00 -1.16 0.00 0.00 32.46 30.57 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 0.74 0.51 5.56 0.00 -1.23 -4.90 119.66 118.05 2juf s GLN 47 Ca -0.22 0.12 0.02 0.00 -0.00 0.00 0.00 55.36 55.27 2juf s GLN 47 Cb 0.08 0.35 -0.00 0.00 0.00 0.00 0.00 33.01 33.43 2juf s GLN 47 CO 0.30 -0.25 0.08 -1.54 0.00 0.00 0.00 175.29 173.88 2juf s SER 48 N -1.30 4.23 -0.10 12.60 1.04 -1.26 -3.01 113.70 125.89 2juf s SER 48 Ca -0.03 -1.57 -0.00 0.00 0.48 0.00 0.00 55.95 54.83 2juf s SER 48 Cb -0.00 0.48 0.02 0.00 0.10 0.00 0.00 66.02 66.62 2juf s SER 48 CO 0.02 -0.89 -0.07 0.20 0.98 0.00 0.00 173.24 173.48 2juf s ASN 49 N -3.95 2.03 0.19 7.02 0.01 -1.26 -4.95 114.94 114.03 2juf s ASN 49 Ca 0.12 -0.28 -0.09 0.00 -0.71 0.00 0.00 52.86 51.90 2juf s ASN 49 Cb 0.01 -0.79 0.11 0.00 0.41 0.00 0.00 41.25 40.99 2juf s ASN 49 CO 0.07 -0.10 1.72 -0.55 -1.51 0.00 0.00 177.10 176.72 2juf h ASN 50 N 8.00 1.03 0.00 -1.22 7.08 -2.01 -3.20 115.58 125.26 2juf h ASN 50 Ca -0.29 -0.22 0.00 0.00 -3.08 0.00 0.00 56.30 52.71 2juf h ASN 50 Cb 1.14 -0.27 0.00 0.00 -2.08 0.00 0.00 38.32 37.11 2juf h ASN 50 CO 0.41 0.98 -0.01 0.61 -2.08 0.00 0.00 177.43 177.33 2juf n GLY 51 N -0.70 3.18 3.04 9.14 0.00 -1.26 -4.93 105.19 113.66 2juf n GLY 51 Ca 0.05 -0.29 -0.32 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.42 1.99 0.53 -0.61 -1.09 -1.21 -5.07 121.20 114.33 2juf s ILE 52 Ca 0.08 -1.50 0.19 0.00 -2.23 0.00 0.00 60.65 57.19 2juf s ILE 52 Cb 0.07 -2.13 0.29 0.00 -1.58 0.00 0.00 42.46 39.11 2juf s ILE 52 CO 0.01 -0.02 2.17 1.55 -1.23 0.00 0.00 174.94 177.42 2juf h PRO 53 N 7.83 0.00 -6.15 2.79 0.13 -1.92 -3.39 132.00 131.29 2juf h PRO 53 Ca -0.20 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.39 2juf h PRO 53 Cb 1.05 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.15 2juf h PRO 53 CO 0.45 0.00 1.30 -1.25 -0.23 0.00 0.00 178.00 178.27 2juf s PRO 54 N -4.98 3.02 0.05 1.56 0.04 -1.26 -3.27 135.00 130.16 2juf s PRO 54 Ca -0.05 1.02 -0.19 0.00 0.04 0.00 0.00 61.00 61.81 2juf s PRO 54 Cb 0.17 -4.27 -0.06 0.00 0.04 0.00 0.00 34.50 30.37 2juf s PRO 54 CO 0.65 -2.25 0.56 0.54 0.04 0.00 0.00 177.00 176.54 2juf s VAL 55 N 7.82 4.80 -0.21 -0.36 0.11 0.59 -4.55 120.40 128.61 2juf s VAL 55 Ca 0.73 1.19 -0.17 0.00 -2.93 0.00 0.00 61.98 60.79 2juf s VAL 55 Cb -0.17 -3.89 -0.03 0.00 -1.53 0.00 0.00 36.38 30.75 2juf s VAL 55 CO 0.28 0.52 0.47 -1.10 -3.33 0.00 0.00 175.10 171.95 2juf s GLN 56 N -0.89 4.17 0.01 1.54 1.11 -1.16 -1.44 119.66 123.00 2juf s GLN 56 Ca 0.29 0.33 0.02 0.00 0.01 0.00 0.00 55.36 56.01 2juf s GLN 56 Cb -0.19 -3.56 -0.01 0.00 -1.01 0.00 0.00 33.01 28.24 2juf s GLN 56 CO 0.18 -0.13 -0.08 0.14 0.01 0.00 0.00 175.29 175.41 2juf s VAL 57 N 1.59 0.58 -0.52 1.09 -7.23 -1.10 -3.50 120.40 111.31 2juf s VAL 57 Ca 0.22 -0.50 -0.25 0.00 -1.81 0.00 0.00 61.98 59.64 2juf s VAL 57 Cb -0.15 -0.52 0.03 0.00 0.56 0.00 0.00 36.38 36.30 2juf s VAL 57 CO 0.09 0.04 0.97 0.12 -0.31 0.00 0.00 175.10 176.01 2juf s PHE 58 N -0.45 2.82 -0.15 2.82 5.36 -0.80 -1.95 117.98 125.64 2juf s PHE 58 Ca 0.00 0.22 -0.19 0.00 -0.96 0.00 0.00 56.93 56.00 2juf s PHE 58 Cb -0.04 -4.10 -0.04 0.00 -0.34 0.00 0.00 43.02 38.50 2juf s PHE 58 CO 0.00 -1.28 0.53 -1.58 -1.46 0.00 0.00 175.22 171.43 2juf s TRP 59 N 4.02 3.46 0.17 10.12 0.52 -0.23 -1.94 118.94 135.05 2juf s TRP 59 Ca 0.35 0.89 0.31 0.00 0.02 0.00 0.00 56.10 57.67 2juf s TRP 59 Cb -0.11 -2.64 1.32 0.00 -1.15 0.00 0.00 33.47 30.90 2juf s TRP 59 CO 0.23 0.04 1.97 -0.56 0.02 0.00 0.00 176.95 178.66 2juf h GLN 60 N 7.04 0.00 -0.23 4.98 -0.00 -1.82 0.73 115.11 125.80 2juf h GLN 60 Ca -0.38 0.00 -0.04 0.00 -0.00 0.00 0.00 58.65 58.24 2juf h GLN 60 Cb 1.17 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.64 2juf h GLN 60 CO 0.75 0.07 0.01 1.03 -0.00 0.00 0.00 178.83 180.69 2juf h SER 61 N 0.00 0.40 0.21 0.06 0.87 -1.94 -3.29 113.55 109.86 2juf h SER 61 Ca -0.00 -0.30 0.00 0.00 -1.23 0.00 0.00 61.79 60.26 2juf h SER 61 Cb 0.53 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.38 2juf h SER 61 CO 0.01 0.60 -1.40 1.07 -0.53 0.00 0.00 176.83 176.57 2juf n THR 62 N -4.66 0.10 -1.03 2.23 5.66 -1.19 -4.99 114.28 110.39 2juf n THR 62 Ca -0.04 -0.31 -0.01 0.00 -3.05 0.00 0.00 64.05 60.64 2juf n THR 62 Cb 0.23 0.26 -0.00 0.00 -1.55 0.00 0.00 70.33 69.26 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 1.34 0.50 3.58 1.09 0.00 0.23 -5.01 105.19 106.92 2juf n GLY 63 Ca -0.00 -0.57 -0.12 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.31 1.92 0.09 1.61 1.70 -1.10 -4.95 118.95 116.91 2juf s ARG 64 Ca 0.00 -1.59 -0.22 0.00 -0.47 0.00 0.00 55.73 53.45 2juf s ARG 64 Cb 0.00 0.49 -0.07 0.00 -0.57 0.00 0.00 34.95 34.80 2juf s ARG 64 CO 0.00 -0.82 0.66 0.99 -1.08 0.00 0.00 175.30 175.05 2juf s THR 65 N -3.06 4.65 0.04 4.99 2.01 -1.26 -1.07 115.64 121.94 2juf s THR 65 Ca 0.26 1.42 -0.03 0.00 0.31 0.00 0.00 61.69 63.65 2juf s THR 65 Cb -0.02 -4.00 -0.02 0.00 0.01 0.00 0.00 72.50 68.47 2juf s THR 65 CO 0.16 0.50 0.03 -0.47 -0.69 0.00 0.00 174.62 174.15 2juf s TYR 66 N -0.84 0.34 -0.55 4.92 5.04 -0.82 -4.92 117.35 120.51 2juf s TYR 66 Ca 0.32 -0.75 -0.26 0.00 -2.44 0.00 0.00 57.07 53.95 2juf s TYR 66 Cb -0.21 -0.25 0.03 0.00 0.35 0.00 0.00 41.96 41.89 2juf s TYR 66 CO 0.21 -0.35 1.06 -1.58 -1.34 0.00 0.00 175.55 173.55 2juf s TRP 67 N -3.04 2.73 0.22 4.97 0.51 -1.26 -2.71 118.94 120.36 2juf s TRP 67 Ca -0.01 0.26 0.11 0.00 -2.12 0.00 0.00 56.10 54.34 2juf s TRP 67 Cb 0.01 -4.28 -0.05 0.00 -0.81 0.00 0.00 33.47 28.35 2juf s TRP 67 CO -0.07 -1.42 -0.21 0.14 -0.51 0.00 0.00 176.95 174.88 2juf s VAL 68 N 4.39 2.28 0.19 4.03 -7.23 -0.52 -4.92 120.40 118.62 2juf s VAL 68 Ca 0.38 -2.16 -0.14 0.00 -1.81 0.00 0.00 61.98 58.25 2juf s VAL 68 Cb -0.10 -2.14 -0.07 0.00 0.56 0.00 0.00 36.38 34.63 2juf s VAL 68 CO 0.24 -0.28 0.59 -2.28 -0.31 0.00 0.00 175.10 173.06 2juf s HIS 69 N -2.11 3.55 0.14 2.82 2.46 -1.26 -0.30 115.29 120.59 2juf s HIS 69 Ca 0.23 1.07 -0.19 0.00 0.47 0.00 0.00 55.06 56.65 2juf s HIS 69 Cb -0.06 -2.39 0.00 0.00 -0.13 0.00 0.00 32.58 30.00 2juf s HIS 69 CO 0.11 0.35 1.72 -1.49 -2.47 0.00 0.00 174.74 172.96 2juf h TRP 70 N 3.19 -0.01 0.00 3.88 4.06 -1.86 0.56 115.95 125.77 2juf h TRP 70 Ca -0.48 0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.49 2juf h TRP 70 Cb 1.19 0.04 0.00 0.00 -1.00 0.00 0.00 29.16 29.39 2juf h TRP 70 CO 0.64 -0.04 0.00 1.25 -3.56 0.00 0.00 178.44 176.73 2juf h HIS 71 N 0.08 0.00 -0.14 0.49 2.76 -1.87 -1.74 115.15 114.73 2juf h HIS 71 Ca 0.12 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.29 2juf h HIS 71 Cb 0.15 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.11 2juf h HIS 71 CO -0.20 0.00 0.00 -1.33 -1.30 0.00 0.00 177.93 175.10 2juf n MET 72 N -3.09 2.36 -4.07 5.26 2.81 -0.87 -4.74 117.12 114.78 2juf n MET 72 Ca 0.01 -2.03 -0.34 0.00 -1.81 0.00 0.00 57.70 53.52 2juf n MET 72 Cb 0.30 -1.47 -0.10 0.00 -0.71 0.00 0.00 33.22 31.24 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 -1.82 3.74 0.03 4.03 0.20 0.13 -3.38 118.68 121.61 2juf s LEU 73 Ca 0.31 0.07 0.02 0.00 0.69 0.00 0.00 54.13 55.22 2juf s LEU 73 Cb 0.21 -1.94 -0.04 0.00 -0.43 0.00 0.00 46.19 43.99 2juf s LEU 73 CO 0.30 0.19 0.02 -0.70 -0.29 0.00 0.00 176.35 175.87 2juf s GLU 74 N 0.26 2.76 -0.21 1.98 2.12 -0.34 -4.89 118.70 120.37 2juf s GLU 74 Ca 0.03 -0.67 -0.04 0.00 0.36 0.00 0.00 54.97 54.65 2juf s GLU 74 Cb -0.12 -2.66 -0.01 0.00 0.26 0.00 0.00 34.13 31.59 2juf s GLU 74 CO 0.01 0.60 -0.04 0.96 -0.54 0.00 0.00 175.26 176.24 2juf s ILE 75 N -1.20 3.44 -0.06 -3.70 -4.36 -1.26 -0.42 121.20 113.64 2juf s ILE 75 Ca 0.23 -0.48 0.08 0.00 -0.26 0.00 0.00 60.65 60.22 2juf s ILE 75 Cb -0.12 -2.56 0.13 0.00 1.25 0.00 0.00 42.46 41.16 2juf s ILE 75 CO 0.14 0.43 1.05 0.18 0.24 0.00 0.00 174.94 176.98 2juf n LEU 76 N 4.66 2.05 0.00 0.37 4.77 -1.23 -4.96 117.00 122.67 2juf n LEU 76 Ca -0.18 -2.40 0.04 0.00 -0.03 0.00 0.00 56.01 53.45 2juf n LEU 76 Cb 0.51 -0.19 0.25 0.00 -2.33 0.00 0.00 43.42 41.66 2juf n LEU 76 CO 0.29 0.57 0.48 0.61 -1.33 0.00 0.00 177.39 178.01