#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jri n GLN 12 N 0.00 0.00 -1.91 5.55 -0.06 -1.26 -5.15 117.38 114.55 1jri n GLN 12 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 1jri n GLN 12 Cb 0.00 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.18 1jri n GLN 12 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 1jri n ARG 13 N 0.00 -4.85 -0.05 3.69 5.12 -1.26 -3.89 116.66 115.41 1jri n ARG 13 Ca 0.00 3.50 -0.05 0.00 -1.93 0.00 0.00 57.85 59.37 1jri n ARG 13 Cb 0.00 -3.91 -0.03 0.00 -1.16 0.00 0.00 32.46 27.36 1jri n ARG 13 CO 0.00 0.00 0.00 -1.35 -1.93 0.00 0.00 177.63 174.35 1jri h PRO 14 N 3.11 -0.13 -0.96 5.56 0.11 -2.01 -1.71 132.00 135.97 1jri h PRO 14 Ca 0.00 0.01 0.26 0.00 0.11 0.00 0.00 66.00 66.38 1jri h PRO 14 Cb 0.00 0.03 -0.05 0.00 0.11 0.00 0.00 31.00 31.09 1jri h PRO 14 CO 0.00 -0.09 0.67 -0.07 -0.21 0.00 0.00 178.00 178.30 1jri h LEU 15 N -0.13 0.14 -0.09 2.35 -0.00 -1.99 -0.55 115.31 115.04 1jri h LEU 15 Ca 0.03 0.02 -0.24 0.00 -0.00 0.00 0.00 57.88 57.68 1jri h LEU 15 Cb 0.20 -0.00 0.02 0.00 -0.00 0.00 0.00 40.66 40.87 1jri h LEU 15 CO -0.21 0.04 -0.89 0.44 -0.00 0.00 0.00 178.44 177.82 1jri h ASP 16 N 0.13 0.93 -0.70 -0.43 5.19 -1.56 -2.88 116.42 117.10 1jri h ASP 16 Ca 0.48 -0.68 0.01 0.00 -0.62 0.00 0.00 57.03 56.22 1jri h ASP 16 Cb 1.66 -0.28 -0.03 0.00 0.18 0.00 0.00 39.33 40.85 1jri h ASP 16 CO -0.08 1.47 0.46 0.00 -3.12 0.00 0.00 179.24 177.97 1jri h ALA 17 N 0.48 1.49 -0.46 3.45 0.00 -0.28 0.12 119.26 124.06 1jri h ALA 17 Ca -0.09 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 54.83 1jri h ALA 17 Cb 1.53 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.99 1jri h ALA 17 CO 0.18 0.47 0.18 1.25 0.00 0.00 0.00 179.25 181.33 1jri h LEU 18 N 0.95 0.20 -1.97 0.00 7.12 -1.20 0.28 115.31 120.70 1jri h LEU 18 Ca 0.26 0.05 0.23 0.00 0.13 0.00 0.00 57.88 58.54 1jri h LEU 18 Cb -0.10 0.02 -0.03 0.00 -0.53 0.00 0.00 40.66 40.02 1jri h LEU 18 CO -0.05 0.15 0.61 1.23 -0.13 0.00 0.00 178.44 180.24 1jri h GLY 19 N 0.36 0.00 2.00 3.75 0.00 -0.56 0.76 103.07 109.38 1jri h GLY 19 Ca 0.22 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.54 1jri h GLY 19 CO -0.21 0.00 -0.02 3.43 0.00 0.00 0.00 176.54 179.74 1jri h ASN 20 N 0.00 0.00 -0.55 0.19 2.35 -0.02 -2.66 115.58 114.89 1jri h ASN 20 Ca 0.38 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.13 1jri h ASN 20 Cb 1.59 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.96 1jri h ASN 20 CO -0.00 0.02 0.00 -1.20 -1.65 0.00 0.00 177.43 174.60 1jri n SER 21 N -3.22 3.67 -4.70 5.81 7.64 0.26 -4.97 113.62 118.12 1jri n SER 21 Ca -0.02 -1.99 -0.42 0.00 1.01 0.00 0.00 58.87 57.45 1jri n SER 21 Cb 0.17 -0.36 -0.03 0.00 -1.01 0.00 0.00 64.21 62.98 1jri n SER 21 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1jri n LEU 22 N 1.51 4.03 0.00 -3.43 4.77 -1.01 -1.70 117.00 121.17 1jri n LEU 22 Ca 0.21 1.01 0.00 0.00 -0.03 0.00 0.00 56.01 57.21 1jri n LEU 22 Cb 0.60 -1.56 0.00 0.00 -2.33 0.00 0.00 43.42 40.13 1jri n LEU 22 CO 0.16 0.18 0.00 0.59 -1.33 0.00 0.00 177.39 176.99 1jri n ASN 23 N 5.00 -2.89 -4.54 -1.43 3.02 0.80 -4.99 115.26 110.24 1jri n ASN 23 Ca 0.17 0.00 -0.26 0.00 -0.03 0.00 0.00 54.58 54.47 1jri n ASN 23 Cb 0.36 -0.48 -0.11 0.00 -0.61 0.00 0.00 39.78 38.95 1jri n ASN 23 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1jri s SER 24 N -2.45 3.65 0.23 6.41 0.01 -0.69 -4.89 113.70 115.97 1jri s SER 24 Ca 0.00 -1.22 -0.30 0.00 1.31 0.00 0.00 55.95 55.74 1jri s SER 24 Cb 0.00 -0.34 -0.09 0.00 0.21 0.00 0.00 66.02 65.81 1jri s SER 24 CO 0.00 -0.25 1.17 -2.84 0.41 0.00 0.00 173.24 171.73 1jri s PRO 25 N -3.63 4.54 0.09 12.44 0.02 -1.26 -2.16 135.00 145.03 1jri s PRO 25 Ca 0.33 1.87 0.02 0.00 0.02 0.00 0.00 61.00 63.23 1jri s PRO 25 Cb 0.04 -3.21 -0.04 0.00 0.02 0.00 0.00 34.50 31.31 1jri s PRO 25 CO 0.16 0.02 -0.07 0.14 -0.33 0.00 0.00 177.00 176.92 1jri s VAL 26 N -0.54 0.65 -0.17 3.83 -7.23 -0.43 -2.45 120.40 114.05 1jri s VAL 26 Ca 0.49 -1.81 0.01 0.00 -1.81 0.00 0.00 61.98 58.86 1jri s VAL 26 Cb -0.33 -1.52 0.01 0.00 0.56 0.00 0.00 36.38 35.10 1jri s VAL 26 CO 0.39 -0.81 -0.17 -0.63 -0.31 0.00 0.00 175.10 173.57 1jri s ILE 27 N -3.32 2.36 -0.25 -0.62 1.01 0.34 -2.67 121.20 118.04 1jri s ILE 27 Ca 0.09 -0.86 -0.08 0.00 0.00 0.00 0.00 60.65 59.80 1jri s ILE 27 Cb 0.03 -1.99 -0.03 0.00 0.01 0.00 0.00 42.46 40.48 1jri s ILE 27 CO -0.04 0.52 0.09 -0.63 0.00 0.00 0.00 174.94 174.88 1jri s ILE 28 N 1.10 4.51 -0.22 2.92 -1.09 0.20 -0.96 121.20 127.66 1jri s ILE 28 Ca 0.00 -0.10 -0.10 0.00 -2.23 0.00 0.00 60.65 58.22 1jri s ILE 28 Cb -0.14 -3.12 -0.05 0.00 -1.58 0.00 0.00 42.46 37.57 1jri s ILE 28 CO -0.06 0.32 0.13 -0.75 -1.23 0.00 0.00 174.94 173.35 1jri s LYS 29 N 1.62 4.04 0.33 2.79 2.47 -0.26 -1.43 119.74 129.31 1jri s LYS 29 Ca 0.06 -0.29 0.08 0.00 -1.56 0.00 0.00 55.97 54.26 1jri s LYS 29 Cb -0.15 -3.44 -0.03 0.00 -1.46 0.00 0.00 37.83 32.75 1jri s LYS 29 CO 0.05 0.13 0.27 -0.51 0.16 0.00 0.00 175.35 175.45 1jri s LEU 30 N 0.83 3.56 0.48 5.43 1.43 -0.18 -0.92 118.68 129.31 1jri s LEU 30 Ca 0.07 -0.52 -0.23 0.00 -1.03 0.00 0.00 54.13 52.41 1jri s LEU 30 Cb -0.13 -2.15 -0.07 0.00 0.03 0.00 0.00 46.19 43.87 1jri s LEU 30 CO 0.02 -0.33 1.30 -0.54 0.23 0.00 0.00 176.35 177.03 1jri s LYS 31 N -3.97 3.54 0.00 1.70 1.02 0.18 -1.04 119.74 121.17 1jri s LYS 31 Ca 0.40 2.12 0.00 0.00 0.02 0.00 0.00 55.97 58.51 1jri s LYS 31 Cb -0.05 -2.45 0.00 0.00 -0.52 0.00 0.00 37.83 34.81 1jri s LYS 31 CO 0.26 -0.84 0.00 0.41 -0.92 0.00 0.00 175.35 174.26 1jri n GLY 32 N 0.62 0.86 2.37 -3.33 0.00 -1.26 -4.17 105.19 100.27 1jri n GLY 32 Ca 0.08 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.05 1jri n GLY 32 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jri n ASP 33 N 0.00 -4.25 -4.79 1.61 8.00 -0.21 -5.00 116.55 111.91 1jri n ASP 33 Ca 0.00 0.10 -0.34 0.00 0.71 0.00 0.00 54.79 55.26 1jri n ASP 33 Cb 0.00 -2.11 0.00 0.00 -0.02 0.00 0.00 41.12 38.99 1jri n ASP 33 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1jri s ARG 34 N -1.72 3.36 0.00 -1.24 1.81 -1.24 -4.81 118.95 115.11 1jri s ARG 34 Ca 0.00 1.39 0.01 0.00 -1.72 0.00 0.00 55.73 55.41 1jri s ARG 34 Cb 0.00 -2.03 -0.01 0.00 -0.45 0.00 0.00 34.95 32.47 1jri s ARG 34 CO 0.00 -0.80 -0.04 -2.00 -0.68 0.00 0.00 175.30 171.78 1jri s GLU 35 N -3.65 0.31 0.06 3.54 2.12 -1.25 -1.01 118.70 118.82 1jri s GLU 35 Ca 0.68 -0.22 0.05 0.00 0.36 0.00 0.00 54.97 55.84 1jri s GLU 35 Cb -0.19 -0.25 -0.03 0.00 0.26 0.00 0.00 34.13 33.93 1jri s GLU 35 CO 0.31 0.06 -0.14 -0.06 -0.54 0.00 0.00 175.26 174.89 1jri s PHE 36 N -0.31 1.22 -0.00 5.30 0.40 -0.51 -0.02 117.98 124.05 1jri s PHE 36 Ca -0.01 -0.42 0.03 0.00 -0.60 0.00 0.00 56.93 55.93 1jri s PHE 36 Cb -0.03 -0.70 -0.01 0.00 0.51 0.00 0.00 43.02 42.80 1jri s PHE 36 CO -0.00 0.05 -0.08 1.03 0.70 0.00 0.00 175.22 176.91 1jri s ARG 37 N -1.52 0.67 0.00 0.44 0.52 0.33 -0.62 118.95 118.77 1jri s ARG 37 Ca -0.01 -0.32 0.00 0.00 -0.52 0.00 0.00 55.73 54.89 1jri s ARG 37 Cb -0.09 -0.65 0.00 0.00 0.52 0.00 0.00 34.95 34.73 1jri s ARG 37 CO 0.02 0.18 0.00 0.41 0.02 0.00 0.00 175.30 175.92 1jri n GLY 38 N 2.82 -0.79 3.65 -3.53 0.00 -1.09 -0.09 105.19 106.16 1jri n GLY 38 Ca -0.14 -1.06 -0.41 0.00 0.00 0.00 0.00 46.02 44.42 1jri n GLY 38 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jri s VAL 39 N -2.00 4.92 0.08 1.61 1.01 -0.29 -1.31 120.40 124.41 1jri s VAL 39 Ca 0.00 1.39 -0.31 0.00 0.00 0.00 0.00 61.98 63.06 1jri s VAL 39 Cb 0.00 -4.04 -0.09 0.00 0.00 0.00 0.00 36.38 32.25 1jri s VAL 39 CO 0.00 0.00 1.74 -0.22 0.00 0.00 0.00 175.10 176.62 1jri s LEU 40 N 2.46 4.38 -0.05 3.92 2.96 -0.92 -1.58 118.68 129.87 1jri s LEU 40 Ca 0.32 2.58 0.06 0.00 -0.22 0.00 0.00 54.13 56.87 1jri s LEU 40 Cb -0.16 -3.56 -0.09 0.00 0.50 0.00 0.00 46.19 42.89 1jri s LEU 40 CO 0.09 -0.94 0.07 0.29 -1.32 0.00 0.00 176.35 174.53 1jri n LYS 41 N 5.90 2.02 -3.54 1.98 4.76 0.14 -0.14 118.16 129.29 1jri n LYS 41 Ca 0.17 -0.02 -0.09 0.00 -2.87 0.00 0.00 58.31 55.50 1jri n LYS 41 Cb 0.40 -1.17 -0.03 0.00 -1.84 0.00 0.00 35.03 32.39 1jri n LYS 41 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1jri s SER 42 N -3.46 -0.34 -0.07 4.39 0.15 -1.21 -4.89 113.70 108.27 1jri s SER 42 Ca -0.03 0.13 -0.29 0.00 0.70 0.00 0.00 55.95 56.45 1jri s SER 42 Cb 0.03 0.33 0.10 0.00 -1.71 0.00 0.00 66.02 64.77 1jri s SER 42 CO 0.27 -0.48 0.86 0.72 1.20 0.00 0.00 173.24 175.81 1jri s PHE 43 N -2.40 -0.44 0.16 3.44 -0.71 -1.26 -0.57 117.98 116.19 1jri s PHE 43 Ca 0.03 0.62 0.01 0.00 -1.04 0.00 0.00 56.93 56.55 1jri s PHE 43 Cb -0.01 0.47 0.01 0.00 -1.21 0.00 0.00 43.02 42.28 1jri s PHE 43 CO -0.05 -0.50 0.05 -0.40 -1.34 0.00 0.00 175.22 172.98 1jri n ASP 44 N 0.43 2.06 0.31 1.98 5.68 -0.90 -4.98 116.55 121.14 1jri n ASP 44 Ca -0.12 -1.63 0.19 0.00 -0.50 0.00 0.00 54.79 52.73 1jri n ASP 44 Cb 0.59 0.06 0.96 0.00 -1.14 0.00 0.00 41.12 41.59 1jri n ASP 44 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 1jri h LEU 45 N 0.00 0.00 -0.06 -2.12 3.38 -2.01 -1.40 115.31 113.10 1jri h LEU 45 Ca -0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1jri h LEU 45 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1jri h LEU 45 CO 0.19 0.02 -0.32 1.41 0.09 0.00 0.00 178.44 179.83 1jri n HIS 46 N -3.18 0.00 -1.26 1.13 8.25 -1.26 -4.92 115.22 113.98 1jri n HIS 46 Ca -0.02 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.42 1jri n HIS 46 Cb 0.18 -0.30 -0.01 0.00 1.12 0.00 0.00 29.99 30.98 1jri n HIS 46 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 1jri n MET 47 N -1.38 -0.15 -2.35 -0.41 2.81 -0.53 -4.26 117.12 110.85 1jri n MET 47 Ca 0.07 0.48 -0.41 0.00 -1.81 0.00 0.00 57.70 56.03 1jri n MET 47 Cb 0.33 -4.07 -0.03 0.00 -0.71 0.00 0.00 33.22 28.74 1jri n MET 47 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 1jri s ASN 48 N -2.96 7.06 0.19 7.83 0.01 -1.26 -3.29 114.94 122.52 1jri s ASN 48 Ca 0.00 2.27 -0.10 0.00 -0.71 0.00 0.00 52.86 54.32 1jri s ASN 48 Cb 0.00 -2.61 -0.01 0.00 0.41 0.00 0.00 41.25 39.04 1jri s ASN 48 CO 0.00 -0.38 0.33 -1.48 -1.51 0.00 0.00 177.10 174.06 1jri s LEU 49 N -0.32 0.76 -0.07 0.60 0.05 0.42 -2.11 118.68 118.01 1jri s LEU 49 Ca 0.53 -0.88 0.04 0.00 0.05 0.00 0.00 54.13 53.86 1jri s LEU 49 Cb -0.33 1.34 -0.02 0.00 -2.05 0.00 0.00 46.19 45.13 1jri s LEU 49 CO 0.37 -0.95 -0.18 -0.69 -0.55 0.00 0.00 176.35 174.35 1jri s VAL 50 N -3.98 2.71 -0.03 1.48 1.01 0.26 0.57 120.40 122.42 1jri s VAL 50 Ca 0.19 -0.83 0.08 0.00 0.00 0.00 0.00 61.98 61.42 1jri s VAL 50 Cb 0.02 -2.06 -0.02 0.00 0.00 0.00 0.00 36.38 34.33 1jri s VAL 50 CO 0.02 0.57 -0.25 -0.76 0.00 0.00 0.00 175.10 174.68 1jri s LEU 51 N -0.30 2.08 0.08 3.92 1.43 -0.34 0.29 118.68 125.84 1jri s LEU 51 Ca 0.02 -0.46 0.05 0.00 -1.03 0.00 0.00 54.13 52.70 1jri s LEU 51 Cb -0.13 -1.35 -0.04 0.00 0.03 0.00 0.00 46.19 44.70 1jri s LEU 51 CO 0.03 0.31 -0.01 0.20 0.23 0.00 0.00 176.35 177.11 1jri s ASN 52 N -0.56 4.99 -1.44 2.29 -0.87 -0.61 -0.58 114.94 118.15 1jri s ASN 52 Ca 0.08 -0.17 -0.08 0.00 -1.57 0.00 0.00 52.86 51.13 1jri s ASN 52 Cb -0.10 -1.19 0.02 0.00 -0.02 0.00 0.00 41.25 39.95 1jri s ASN 52 CO -0.00 0.19 0.95 0.47 -2.57 0.00 0.00 177.10 176.14 1jri n ASP 53 N 0.69 -6.06 -4.78 -1.22 8.00 -1.22 -1.14 116.55 110.82 1jri n ASP 53 Ca -0.11 -0.48 -0.35 0.00 0.71 0.00 0.00 54.79 54.56 1jri n ASP 53 Cb 0.52 -4.82 -0.02 0.00 -0.02 0.00 0.00 41.12 36.78 1jri n ASP 53 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jri s ALA 54 N -3.26 2.88 -0.13 2.24 0.00 -0.58 -4.42 121.76 118.49 1jri s ALA 54 Ca 0.50 0.75 -0.06 0.00 0.00 0.00 0.00 51.96 53.14 1jri s ALA 54 Cb -0.23 -3.31 0.05 0.00 0.00 0.00 0.00 23.12 19.63 1jri s ALA 54 CO 0.62 -0.49 0.30 -1.21 0.00 0.00 0.00 175.76 174.98 1jri s GLU 55 N -3.02 0.26 0.13 0.00 2.02 0.87 -1.09 118.70 117.87 1jri s GLU 55 Ca 0.67 0.62 -0.16 0.00 0.02 0.00 0.00 54.97 56.11 1jri s GLU 55 Cb -0.22 -0.09 -0.07 0.00 0.10 0.00 0.00 34.13 33.86 1jri s GLU 55 CO 0.26 -0.17 0.57 -2.00 0.02 0.00 0.00 175.26 173.94 1jri s GLU 56 N 1.36 4.05 0.26 1.61 2.12 -0.87 -0.51 118.70 126.72 1jri s GLU 56 Ca -0.09 0.58 0.11 0.00 0.36 0.00 0.00 54.97 55.93 1jri s GLU 56 Cb -0.10 -3.01 -0.05 0.00 0.26 0.00 0.00 34.13 31.24 1jri s GLU 56 CO -0.10 0.51 -0.19 -0.51 -0.54 0.00 0.00 175.26 174.44 1jri s LEU 57 N -1.74 2.57 -0.15 2.70 1.43 0.97 -0.66 118.68 123.81 1jri s LEU 57 Ca 0.36 -1.02 -0.05 0.00 -1.03 0.00 0.00 54.13 52.39 1jri s LEU 57 Cb -0.16 -1.00 0.08 0.00 0.03 0.00 0.00 46.19 45.13 1jri s LEU 57 CO 0.19 -0.00 0.30 -1.61 0.23 0.00 0.00 176.35 175.45 1jri s GLU 58 N -3.48 0.20 0.00 1.70 2.02 -0.89 -3.84 118.70 114.40 1jri s GLU 58 Ca 0.27 0.75 0.00 0.00 0.02 0.00 0.00 54.97 56.01 1jri s GLU 58 Cb -0.04 -0.08 0.00 0.00 0.10 0.00 0.00 34.13 34.11 1jri s GLU 58 CO 0.13 -0.33 0.00 -0.25 0.02 0.00 0.00 175.26 174.83 1jri n ASP 59 N 5.36 -1.94 0.00 -0.19 9.92 -1.26 -2.01 116.55 126.43 1jri n ASP 59 Ca -0.06 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.20 1jri n ASP 59 Cb 0.50 -1.74 0.00 0.00 -0.64 0.00 0.00 41.12 39.24 1jri n ASP 59 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1jri n GLY 60 N -1.48 0.65 3.32 0.44 0.00 -1.26 -5.09 105.19 101.77 1jri n GLY 60 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1jri n GLY 60 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1jri s GLU 61 N -0.73 3.10 0.37 1.61 2.12 -0.85 -5.07 118.70 119.23 1jri s GLU 61 Ca 0.00 -0.78 -0.25 0.00 0.36 0.00 0.00 54.97 54.30 1jri s GLU 61 Cb 0.00 -2.44 -0.12 0.00 0.26 0.00 0.00 34.13 31.83 1jri s GLU 61 CO 0.00 0.26 0.92 0.28 -0.54 0.00 0.00 175.26 176.18 1jri n VAL 62 N 3.35 2.16 0.00 3.70 0.31 -1.26 -2.10 118.33 124.49 1jri n VAL 62 Ca -0.18 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.65 1jri n VAL 62 Cb 0.53 -0.98 0.00 0.00 -0.91 0.00 0.00 33.84 32.48 1jri n VAL 62 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1jri n THR 63 N -0.29 0.00 -3.64 2.52 -1.04 0.17 -4.85 114.28 107.15 1jri n THR 63 Ca 0.10 -0.02 -0.06 0.00 -2.04 0.00 0.00 64.05 62.04 1jri n THR 63 Cb 0.36 0.51 -0.07 0.00 -1.82 0.00 0.00 70.33 69.31 1jri n THR 63 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1jri s ARG 64 N -1.93 0.27 -0.23 -2.82 3.03 -1.24 -5.01 118.95 111.01 1jri s ARG 64 Ca 0.00 0.33 -0.15 0.00 2.03 0.00 0.00 55.73 57.94 1jri s ARG 64 Cb 0.00 0.13 -0.04 0.00 -1.03 0.00 0.00 34.95 34.01 1jri s ARG 64 CO 0.00 -0.03 0.37 1.03 -1.13 0.00 0.00 175.30 175.54 1jri s ARG 65 N 0.19 4.10 0.00 3.89 0.52 -1.26 -2.04 118.95 124.35 1jri s ARG 65 Ca 0.05 0.10 0.12 0.00 -0.52 0.00 0.00 55.73 55.48 1jri s ARG 65 Cb -0.05 -3.58 0.25 0.00 0.52 0.00 0.00 34.95 32.09 1jri s ARG 65 CO -0.11 -0.13 1.14 1.28 0.02 0.00 0.00 175.30 177.50 1jri n LEU 66 N 4.80 2.66 0.00 2.53 4.32 -0.25 -4.99 117.00 126.07 1jri n LEU 66 Ca -0.09 -1.60 0.00 0.00 -0.02 0.00 0.00 56.01 54.30 1jri n LEU 66 Cb 0.51 -0.16 0.00 0.00 -1.62 0.00 0.00 43.42 42.15 1jri n LEU 66 CO 0.38 0.61 0.00 0.61 -1.22 0.00 0.00 177.39 177.78 1jri n GLY 67 N 0.68 2.71 3.71 -0.72 0.00 -1.20 -4.47 105.19 105.90 1jri n GLY 67 Ca 0.11 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 1jri n GLY 67 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jri s THR 68 N 0.00 3.46 -0.02 2.61 2.01 -1.26 -1.53 115.64 120.92 1jri s THR 68 Ca 0.00 1.03 -0.01 0.00 0.31 0.00 0.00 61.69 63.01 1jri s THR 68 Cb 0.00 -3.66 0.01 0.00 0.01 0.00 0.00 72.50 68.86 1jri s THR 68 CO 0.00 0.07 0.05 0.54 -0.69 0.00 0.00 174.62 174.59 1jri s VAL 69 N 1.30 -0.02 -0.30 3.82 0.11 0.25 -4.98 120.40 120.58 1jri s VAL 69 Ca 0.64 0.06 -0.12 0.00 -2.93 0.00 0.00 61.98 59.63 1jri s VAL 69 Cb -0.35 -0.09 -0.04 0.00 -1.53 0.00 0.00 36.38 34.37 1jri s VAL 69 CO 0.30 0.02 0.21 -0.22 -3.33 0.00 0.00 175.10 172.08 1jri s LEU 70 N 0.34 4.20 -0.17 2.54 2.96 -1.26 -1.19 118.68 126.10 1jri s LEU 70 Ca -0.03 -0.18 -0.05 0.00 -0.22 0.00 0.00 54.13 53.65 1jri s LEU 70 Cb -0.04 -2.12 -0.03 0.00 0.50 0.00 0.00 46.19 44.50 1jri s LEU 70 CO -0.01 -0.12 0.01 -0.63 -1.32 0.00 0.00 176.35 174.28 1jri s ILE 71 N 1.74 4.36 -0.08 6.68 1.01 0.19 -4.94 121.20 130.16 1jri s ILE 71 Ca 0.07 -0.19 -0.30 0.00 0.00 0.00 0.00 60.65 60.23 1jri s ILE 71 Cb -0.17 -2.93 -0.02 0.00 0.01 0.00 0.00 42.46 39.35 1jri s ILE 71 CO 0.11 0.48 1.12 -0.13 0.00 0.00 0.00 174.94 176.52 1jri s ARG 72 N 0.31 4.37 0.35 2.79 0.52 -1.26 -0.44 118.95 125.59 1jri s ARG 72 Ca 0.00 1.55 0.09 0.00 -0.52 0.00 0.00 55.73 56.85 1jri s ARG 72 Cb -0.13 -3.56 0.82 0.00 0.52 0.00 0.00 34.95 32.60 1jri s ARG 72 CO 0.02 -0.41 1.84 0.78 0.02 0.00 0.00 175.30 177.55 1jri h GLY 73 N 8.19 1.31 -0.92 -3.53 0.00 -1.73 -2.70 103.07 103.69 1jri h GLY 73 Ca -0.32 -0.31 0.41 0.00 0.00 0.00 0.00 47.33 47.11 1jri h GLY 73 CO 0.88 0.05 1.07 -1.80 0.00 0.00 0.00 176.54 176.74 1jri h ASP 74 N 0.69 0.00 0.49 0.19 -0.00 -1.88 0.50 116.42 116.41 1jri h ASP 74 Ca 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.51 1jri h ASP 74 Cb 0.81 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.14 1jri h ASP 74 CO -0.24 0.00 -0.70 0.59 -0.00 0.00 0.00 179.24 178.89 1jri n ASN 75 N -3.97 0.61 -4.73 2.28 3.02 -1.02 -4.93 115.26 106.53 1jri n ASN 75 Ca 0.31 -0.26 -0.42 0.00 -0.03 0.00 0.00 54.58 54.19 1jri n ASN 75 Cb 1.51 0.45 -0.03 0.00 -0.61 0.00 0.00 39.78 41.10 1jri n ASN 75 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1jri s ILE 76 N -3.08 3.61 -0.27 2.41 1.01 0.17 -0.65 121.20 124.41 1jri s ILE 76 Ca 0.08 1.24 -0.15 0.00 0.00 0.00 0.00 60.65 61.82 1jri s ILE 76 Cb 0.16 -3.79 -0.12 0.00 0.01 0.00 0.00 42.46 38.71 1jri s ILE 76 CO 0.75 0.14 -0.31 0.52 0.00 0.00 0.00 174.94 176.04 1jri n VAL 77 N 3.27 1.53 -3.60 2.92 0.31 -0.10 -4.85 118.33 117.81 1jri n VAL 77 Ca 0.07 -0.32 -0.13 0.00 -0.01 0.00 0.00 64.34 63.95 1jri n VAL 77 Cb 0.44 -1.92 -0.05 0.00 -0.91 0.00 0.00 33.84 31.40 1jri n VAL 77 CO 0.00 0.00 0.00 -0.72 -1.32 0.00 0.00 176.83 174.79 1jri s TYR 78 N -2.52 -0.37 -0.04 3.52 -0.85 -1.18 -5.04 117.35 110.88 1jri s TYR 78 Ca -0.37 0.34 0.06 0.00 -0.52 0.00 0.00 57.07 56.57 1jri s TYR 78 Cb 0.13 0.31 -0.01 0.00 0.38 0.00 0.00 41.96 42.78 1jri s TYR 78 CO 0.49 -0.64 -0.22 0.42 -1.52 0.00 0.00 175.55 174.09 1jri s ILE 79 N -2.67 1.76 0.03 -3.49 1.01 -1.26 -1.10 121.20 115.48 1jri s ILE 79 Ca -0.04 -0.92 -0.01 0.00 0.00 0.00 0.00 60.65 59.68 1jri s ILE 79 Cb -0.00 -1.48 -0.03 0.00 0.01 0.00 0.00 42.46 40.96 1jri s ILE 79 CO -0.04 0.50 -0.01 -0.55 0.00 0.00 0.00 174.94 174.84 1jri s SER 80 N -0.23 0.32 -0.12 3.58 0.15 -0.13 -4.97 113.70 112.30 1jri s SER 80 Ca 0.01 -0.68 -0.30 0.00 0.70 0.00 0.00 55.95 55.68 1jri s SER 80 Cb -0.11 0.15 -0.02 0.00 -1.71 0.00 0.00 66.02 64.33 1jri s SER 80 CO 0.02 -0.43 1.19 -0.13 1.20 0.00 0.00 173.24 175.08 1jri s ARG 81 N -2.48 4.30 0.43 5.44 0.52 -1.26 0.13 118.95 126.02 1jri s ARG 81 Ca -0.06 1.61 0.03 0.00 -0.52 0.00 0.00 55.73 56.79 1jri s ARG 81 Cb -0.02 -3.64 -0.01 0.00 0.52 0.00 0.00 34.95 31.79 1jri s ARG 81 CO -0.05 -0.55 0.12 0.41 0.02 0.00 0.00 175.30 175.24 1jri n GLY 82 N 3.43 3.31 3.19 -3.53 0.00 -1.03 -4.78 105.19 105.79 1jri n GLY 82 Ca 0.12 -2.17 0.00 0.00 0.00 0.00 0.00 46.02 43.97 1jri n GLY 82 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60