#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jri n ARG 13 N 0.00 0.00 0.07 2.61 1.85 -1.26 -4.80 116.66 115.13 1jri n ARG 13 Ca 0.00 -0.66 -0.12 0.00 -1.00 0.00 0.00 57.85 56.07 1jri n ARG 13 Cb 0.00 -0.35 -0.07 0.00 -1.05 0.00 0.00 32.46 31.00 1jri n ARG 13 CO 0.00 0.00 0.00 -1.35 -0.01 0.00 0.00 177.63 176.27 1jri h PRO 14 N 0.00 -0.10 0.23 2.89 0.11 -2.06 -1.26 132.00 131.81 1jri h PRO 14 Ca 0.00 0.01 0.01 0.00 0.11 0.00 0.00 66.00 66.13 1jri h PRO 14 Cb 1.25 0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.35 1jri h PRO 14 CO 0.00 -0.07 -0.37 1.25 -0.21 0.00 0.00 178.00 178.60 1jri h LEU 15 N -0.11 -1.04 -0.64 2.35 5.85 -1.98 -1.15 115.31 118.60 1jri h LEU 15 Ca 0.00 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.83 1jri h LEU 15 Cb 0.11 0.37 0.00 0.00 0.37 0.00 0.00 40.66 41.51 1jri h LEU 15 CO -0.02 -0.48 0.00 0.47 -0.34 0.00 0.00 178.44 178.08 1jri n ASP 16 N -5.46 0.06 0.00 1.25 8.00 -0.87 0.30 116.55 119.84 1jri n ASP 16 Ca -0.08 -0.19 0.00 0.00 0.71 0.00 0.00 54.79 55.23 1jri n ASP 16 Cb 0.36 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.43 1jri n ASP 16 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jri n ALA 17 N 0.11 1.69 0.06 2.24 0.00 -0.45 -4.52 120.51 119.64 1jri n ALA 17 Ca 0.00 -0.10 -0.04 0.00 0.00 0.00 0.00 53.44 53.30 1jri n ALA 17 Cb 0.02 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.38 1jri n ALA 17 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1jri h LEU 18 N 0.00 0.00 -1.66 0.00 6.46 -0.03 -3.22 115.31 116.86 1jri h LEU 18 Ca 0.00 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.74 1jri h LEU 18 Cb 0.03 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 39.95 1jri h LEU 18 CO 0.00 0.82 0.01 1.23 -0.62 0.00 0.00 178.44 179.88 1jri h GLY 19 N 3.32 0.24 2.00 3.75 0.00 -1.79 -0.82 103.07 109.76 1jri h GLY 19 Ca -0.08 -0.11 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 1jri h GLY 19 CO 0.09 0.11 -0.03 3.43 0.00 0.00 0.00 176.54 180.14 1jri h ASN 20 N 0.22 0.00 0.14 0.19 2.35 -1.83 0.61 115.58 117.27 1jri h ASN 20 Ca 0.05 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 1jri h ASN 20 Cb 0.14 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.51 1jri h ASN 20 CO 0.00 0.03 -0.45 -1.20 -1.65 0.00 0.00 177.43 174.16 1jri n SER 21 N -3.41 1.34 -4.67 5.81 7.64 -0.33 -4.89 113.62 115.11 1jri n SER 21 Ca -0.02 -1.07 -0.55 0.00 1.01 0.00 0.00 58.87 58.24 1jri n SER 21 Cb 0.14 0.37 -0.07 0.00 -1.01 0.00 0.00 64.21 63.64 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 -0.61 2.17 -0.29 -3.43 4.77 0.20 0.12 117.00 119.93 1jri n LEU 22 Ca 0.09 1.09 -0.03 0.00 -0.03 0.00 0.00 56.01 57.13 1jri n LEU 22 Cb 0.39 -1.16 -0.01 0.00 -2.33 0.00 0.00 43.42 40.30 1jri n LEU 22 CO 0.30 -0.63 -0.04 0.59 -1.33 0.00 0.00 177.39 176.29 1jri n ASN 23 N 4.44 -3.03 -4.23 -1.43 3.02 0.55 -5.02 115.26 109.55 1jri n ASN 23 Ca 0.24 0.06 -0.18 0.00 -0.03 0.00 0.00 54.58 54.67 1jri n ASN 23 Cb 0.15 -1.22 -0.11 0.00 -0.61 0.00 0.00 39.78 37.99 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 -2.94 1.93 0.05 6.41 0.01 0.33 -4.93 113.70 114.57 1jri s SER 24 Ca 0.00 -0.79 -0.31 0.00 1.31 0.00 0.00 55.95 56.16 1jri s SER 24 Cb 0.00 -0.06 -0.07 0.00 0.21 0.00 0.00 66.02 66.10 1jri s SER 24 CO 0.00 -0.14 1.43 -2.16 0.41 0.00 0.00 173.24 172.78 1jri s PRO 25 N -2.58 4.28 0.28 12.44 0.04 -1.26 -2.25 135.00 145.96 1jri s PRO 25 Ca 0.08 2.05 0.07 0.00 0.04 0.00 0.00 61.00 63.24 1jri s PRO 25 Cb -0.05 -3.47 -0.06 0.00 0.04 0.00 0.00 34.50 30.96 1jri s PRO 25 CO 0.03 -0.55 -0.06 0.14 0.04 0.00 0.00 177.00 176.59 1jri s VAL 26 N 2.00 1.70 -0.11 -0.36 -7.23 0.14 -0.58 120.40 115.96 1jri s VAL 26 Ca 0.65 -2.13 0.03 0.00 -1.81 0.00 0.00 61.98 58.72 1jri s VAL 26 Cb -0.34 -2.47 -0.00 0.00 0.56 0.00 0.00 36.38 34.13 1jri s VAL 26 CO 0.29 -0.29 -0.21 -0.63 -0.31 0.00 0.00 175.10 173.94 1jri s ILE 27 N -2.98 2.31 -0.26 -0.62 1.01 0.02 -1.94 121.20 118.73 1jri s ILE 27 Ca 0.30 -0.93 0.01 0.00 0.00 0.00 0.00 60.65 60.02 1jri s ILE 27 Cb 0.04 -1.90 0.05 0.00 0.01 0.00 0.00 42.46 40.65 1jri s ILE 27 CO 0.12 0.55 -0.07 -0.63 0.00 0.00 0.00 174.94 174.91 1jri s ILE 28 N 0.31 2.54 -0.21 2.92 -1.09 0.16 -1.63 121.20 124.21 1jri s ILE 28 Ca -0.16 -1.40 -0.11 0.00 -2.23 0.00 0.00 60.65 56.74 1jri s ILE 28 Cb -0.17 -2.42 -0.05 0.00 -1.58 0.00 0.00 42.46 38.24 1jri s ILE 28 CO 0.08 0.03 0.20 -0.75 -1.23 0.00 0.00 174.94 173.27 1jri s LYS 29 N 1.20 4.16 0.38 2.79 2.47 -0.21 -0.72 119.74 129.82 1jri s LYS 29 Ca -0.05 -0.14 0.08 0.00 -1.56 0.00 0.00 55.97 54.30 1jri s LYS 29 Cb -0.19 -3.48 -0.03 0.00 -1.46 0.00 0.00 37.83 32.67 1jri s LYS 29 CO -0.04 0.17 0.27 -0.51 0.16 0.00 0.00 175.35 175.40 1jri s LEU 30 N 0.73 3.35 0.47 5.43 1.43 -0.14 0.13 118.68 130.08 1jri s LEU 30 Ca 0.10 -0.77 -0.24 0.00 -1.03 0.00 0.00 54.13 52.19 1jri s LEU 30 Cb -0.13 -1.89 -0.07 0.00 0.03 0.00 0.00 46.19 44.13 1jri s LEU 30 CO 0.02 -0.50 1.38 -0.54 0.23 0.00 0.00 176.35 176.95 1jri s LYS 31 N -4.00 3.60 0.00 1.70 1.02 -0.04 -1.58 119.74 120.44 1jri s LYS 31 Ca 0.43 2.31 0.00 0.00 0.02 0.00 0.00 55.97 58.73 1jri s LYS 31 Cb -0.02 -2.56 0.00 0.00 -0.52 0.00 0.00 37.83 34.73 1jri s LYS 31 CO 0.25 -0.85 0.00 0.41 -0.92 0.00 0.00 175.35 174.24 1jri n GLY 32 N 0.62 0.94 2.59 -3.33 0.00 -1.26 -4.17 105.19 100.58 1jri n GLY 32 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.41 -4.74 1.61 10.43 -0.61 -5.02 116.55 116.81 1jri n ASP 33 Ca 0.00 0.00 -0.41 0.00 2.57 0.00 0.00 54.79 56.95 1jri n ASP 33 Cb 0.00 -0.33 -0.04 0.00 1.84 0.00 0.00 41.12 42.59 1jri n ASP 33 CO 0.00 0.00 0.00 -0.60 -1.07 0.00 0.00 177.20 175.53 1jri s ARG 34 N -0.06 4.53 0.13 -1.24 6.06 -1.25 -4.80 118.95 122.33 1jri s ARG 34 Ca 0.00 1.79 0.07 0.00 -2.50 0.00 0.00 55.73 55.08 1jri s ARG 34 Cb 0.00 -3.27 -0.04 0.00 0.06 0.00 0.00 34.95 31.70 1jri s ARG 34 CO 0.00 -0.03 -0.15 -1.83 -2.50 0.00 0.00 175.30 170.79 1jri s GLU 35 N -0.17 1.09 0.08 5.12 -1.05 -1.23 -0.97 118.70 121.58 1jri s GLU 35 Ca 0.52 -1.29 0.06 0.00 -0.15 0.00 0.00 54.97 54.11 1jri s GLU 35 Cb -0.31 -1.01 -0.03 0.00 -0.44 0.00 0.00 34.13 32.34 1jri s GLU 35 CO 0.35 0.20 -0.15 -0.06 0.95 0.00 0.00 175.26 176.55 1jri s PHE 36 N -2.13 1.32 0.04 4.83 0.40 0.10 -0.44 117.98 122.10 1jri s PHE 36 Ca 0.11 -0.47 0.04 0.00 -0.60 0.00 0.00 56.93 56.00 1jri s PHE 36 Cb -0.05 -0.73 -0.02 0.00 0.51 0.00 0.00 43.02 42.73 1jri s PHE 36 CO 0.04 0.09 -0.11 1.03 0.70 0.00 0.00 175.22 176.97 1jri s ARG 37 N -1.89 0.71 0.00 0.44 0.52 -0.69 0.37 118.95 118.42 1jri s ARG 37 Ca 0.01 -0.69 0.00 0.00 -0.52 0.00 0.00 55.73 54.53 1jri s ARG 37 Cb -0.09 -0.64 0.00 0.00 0.52 0.00 0.00 34.95 34.74 1jri s ARG 37 CO 0.03 0.15 0.00 0.41 0.02 0.00 0.00 175.30 175.91 1jri n GLY 38 N 1.86 -2.01 3.47 -3.53 0.00 -0.82 -1.02 105.19 103.13 1jri n GLY 38 Ca -0.19 -1.20 -0.43 0.00 0.00 0.00 0.00 46.02 44.19 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 -2.45 5.05 0.13 1.61 1.01 -0.84 0.29 120.40 125.19 1jri s VAL 39 Ca 0.00 -0.44 -0.34 0.00 0.00 0.00 0.00 61.98 61.20 1jri s VAL 39 Cb 0.00 -4.11 -0.14 0.00 0.00 0.00 0.00 36.38 32.13 1jri s VAL 39 CO 0.00 -0.53 1.59 -0.11 0.00 0.00 0.00 175.10 176.05 1jri n LEU 40 N 5.70 3.00 0.00 3.92 7.94 -0.95 -2.20 117.00 134.41 1jri n LEU 40 Ca -0.07 1.08 0.00 0.00 -1.11 0.00 0.00 56.01 55.90 1jri n LEU 40 Cb 0.47 -1.40 0.00 0.00 0.53 0.00 0.00 43.42 43.02 1jri n LEU 40 CO 0.48 -0.33 -0.49 0.29 -1.11 0.00 0.00 177.39 176.23 1jri n LYS 41 N 3.66 0.92 -3.60 1.96 4.76 0.30 -0.33 118.16 125.82 1jri n LYS 41 Ca 0.18 0.00 -0.06 0.00 -2.87 0.00 0.00 58.31 55.56 1jri n LYS 41 Cb 0.28 -0.99 -0.04 0.00 -1.84 0.00 0.00 35.03 32.44 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 -2.17 -0.18 0.19 4.39 0.15 -1.24 -4.85 113.70 109.99 1jri s SER 42 Ca 0.00 0.12 -0.21 0.00 0.70 0.00 0.00 55.95 56.56 1jri s SER 42 Cb 0.00 0.17 0.05 0.00 -1.71 0.00 0.00 66.02 64.53 1jri s SER 42 CO 0.00 -0.23 0.61 0.72 1.20 0.00 0.00 173.24 175.54 1jri s PHE 43 N -1.67 -0.39 0.25 3.44 -0.71 -1.26 0.03 117.98 117.67 1jri s PHE 43 Ca 0.06 0.10 0.01 0.00 -1.04 0.00 0.00 56.93 56.06 1jri s PHE 43 Cb -0.01 0.55 0.01 0.00 -1.21 0.00 0.00 43.02 42.36 1jri s PHE 43 CO -0.04 -0.94 0.05 -0.40 -1.34 0.00 0.00 175.22 172.56 1jri n ASP 44 N -0.38 2.44 0.17 1.98 5.68 -0.90 -4.99 116.55 120.55 1jri n ASP 44 Ca -0.13 -2.02 0.13 0.00 -0.50 0.00 0.00 54.79 52.28 1jri n ASP 44 Cb 0.63 0.12 0.51 0.00 -1.14 0.00 0.00 41.12 41.24 1jri n ASP 44 CO 0.00 0.00 0.00 0.17 -1.33 0.00 0.00 177.20 176.04 1jri h LEU 45 N 0.00 0.00 -0.26 -2.12 8.10 -2.03 -2.56 115.31 116.44 1jri h LEU 45 Ca -0.19 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.80 1jri h LEU 45 Cb 0.61 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.83 1jri h LEU 45 CO 0.31 0.00 -0.06 1.41 -4.11 0.00 0.00 178.44 175.99 1jri n HIS 46 N -2.52 0.00 -1.00 0.17 8.25 -1.26 -4.90 115.22 113.97 1jri n HIS 46 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 1jri n HIS 46 Cb 0.30 -0.13 0.00 0.00 1.12 0.00 0.00 29.99 31.28 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 -0.84 0.00 -2.13 -0.41 2.81 -0.97 -4.19 117.12 111.38 1jri n MET 47 Ca 0.17 0.06 -0.41 0.00 -1.81 0.00 0.00 57.70 55.71 1jri n MET 47 Cb 0.25 -3.12 -0.02 0.00 -0.71 0.00 0.00 33.22 29.62 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 -2.12 6.80 0.11 7.83 0.02 -1.26 -3.47 114.94 122.86 1jri s ASN 48 Ca 0.00 2.65 -0.13 0.00 -1.02 0.00 0.00 52.86 54.37 1jri s ASN 48 Cb 0.00 -2.64 0.02 0.00 0.02 0.00 0.00 41.25 38.64 1jri s ASN 48 CO 0.00 -0.52 0.31 -1.48 0.02 0.00 0.00 177.10 175.43 1jri s LEU 49 N -1.62 0.87 -0.10 0.60 0.05 -0.20 -2.11 118.68 116.15 1jri s LEU 49 Ca 0.50 -0.49 -0.01 0.00 0.05 0.00 0.00 54.13 54.17 1jri s LEU 49 Cb -0.39 1.47 -0.03 0.00 -2.05 0.00 0.00 46.19 45.18 1jri s LEU 49 CO 0.51 -0.81 -0.05 -0.69 -0.55 0.00 0.00 176.35 174.76 1jri s VAL 50 N -3.84 3.79 -0.08 1.48 1.01 0.10 -0.35 120.40 122.51 1jri s VAL 50 Ca 0.05 -0.43 0.01 0.00 0.00 0.00 0.00 61.98 61.62 1jri s VAL 50 Cb 0.03 -2.59 0.02 0.00 0.00 0.00 0.00 36.38 33.83 1jri s VAL 50 CO -0.11 0.56 -0.12 -0.76 0.00 0.00 0.00 175.10 174.67 1jri s LEU 51 N -0.33 1.54 0.33 3.92 1.43 0.17 -0.54 118.68 125.20 1jri s LEU 51 Ca 0.05 -0.32 0.02 0.00 -1.03 0.00 0.00 54.13 52.85 1jri s LEU 51 Cb -0.12 -0.87 -0.03 0.00 0.03 0.00 0.00 46.19 45.20 1jri s LEU 51 CO 0.02 -0.01 0.51 0.20 0.23 0.00 0.00 176.35 177.30 1jri s ASN 52 N 0.98 6.23 -1.37 2.29 0.01 -0.93 0.52 114.94 122.67 1jri s ASN 52 Ca -0.08 0.29 -0.12 0.00 -0.71 0.00 0.00 52.86 52.24 1jri s ASN 52 Cb -0.15 -1.88 0.10 0.00 0.41 0.00 0.00 41.25 39.73 1jri s ASN 52 CO -0.00 -0.29 0.57 0.47 -1.51 0.00 0.00 177.10 176.33 1jri n ASP 53 N -1.72 -3.41 -4.77 -1.22 8.00 -1.01 -1.99 116.55 110.43 1jri n ASP 53 Ca -0.05 -0.56 -0.32 0.00 0.71 0.00 0.00 54.79 54.57 1jri n ASP 53 Cb 0.57 -2.83 0.07 0.00 -0.02 0.00 0.00 41.12 38.91 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 -3.00 2.37 -0.10 2.24 0.00 0.40 -4.58 121.76 119.09 1jri s ALA 54 Ca 0.50 0.43 -0.04 0.00 0.00 0.00 0.00 51.96 52.85 1jri s ALA 54 Cb -0.27 -3.30 0.05 0.00 0.00 0.00 0.00 23.12 19.60 1jri s ALA 54 CO 0.62 -1.50 0.22 -1.21 0.00 0.00 0.00 175.76 173.88 1jri s GLU 55 N -4.45 0.15 -0.23 0.00 2.02 -0.19 -2.56 118.70 113.43 1jri s GLU 55 Ca 0.64 0.53 -0.18 0.00 0.02 0.00 0.00 54.97 55.99 1jri s GLU 55 Cb -0.19 -0.14 -0.03 0.00 0.10 0.00 0.00 34.13 33.87 1jri s GLU 55 CO 0.48 -0.20 0.51 -2.00 0.02 0.00 0.00 175.26 174.07 1jri s GLU 56 N 1.54 4.12 0.28 1.61 2.12 -0.26 -1.71 118.70 126.40 1jri s GLU 56 Ca -0.06 0.34 0.09 0.00 0.36 0.00 0.00 54.97 55.70 1jri s GLU 56 Cb -0.11 -3.61 -0.04 0.00 0.26 0.00 0.00 34.13 30.63 1jri s GLU 56 CO -0.08 -0.25 0.06 -0.51 -0.54 0.00 0.00 175.26 173.94 1jri s LEU 57 N 1.98 3.34 -0.12 2.70 1.02 0.41 0.11 118.68 128.13 1jri s LEU 57 Ca 0.22 -0.58 -0.05 0.00 0.02 0.00 0.00 54.13 53.73 1jri s LEU 57 Cb -0.15 -1.85 0.06 0.00 0.02 0.00 0.00 46.19 44.26 1jri s LEU 57 CO 0.09 -0.06 0.27 -1.61 0.02 0.00 0.00 176.35 175.06 1jri s GLU 58 N -3.74 0.19 -0.53 1.70 2.02 -0.56 -3.50 118.70 114.28 1jri s GLU 58 Ca 0.33 0.66 0.00 0.00 0.02 0.00 0.00 54.97 55.98 1jri s GLU 58 Cb -0.06 -0.07 0.00 0.00 0.10 0.00 0.00 34.13 34.10 1jri s GLU 58 CO 0.21 -0.22 0.00 -0.25 0.02 0.00 0.00 175.26 175.02 1jri n ASP 59 N 4.80 -5.87 0.00 -0.19 9.92 -1.26 0.49 116.55 124.43 1jri n ASP 59 Ca -0.16 0.12 0.00 0.00 -0.53 0.00 0.00 54.79 54.23 1jri n ASP 59 Cb 0.51 -3.82 0.00 0.00 -0.64 0.00 0.00 41.12 37.18 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 0.67 0.88 3.29 0.44 0.00 -1.26 -5.06 105.19 104.14 1jri n GLY 60 Ca -0.05 -0.01 -0.35 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.74 3.27 -0.27 1.61 2.56 0.18 -5.06 118.70 120.24 1jri s GLU 61 Ca 0.00 -0.70 -0.36 0.00 0.00 0.00 0.00 54.97 53.91 1jri s GLU 61 Cb 0.00 -3.01 -0.13 0.00 2.00 0.00 0.00 34.13 33.00 1jri s GLU 61 CO 0.00 -0.24 2.00 0.28 -0.56 0.00 0.00 175.26 176.74 1jri n VAL 62 N 4.78 0.31 -0.06 3.70 0.31 -1.26 -1.50 118.33 124.60 1jri n VAL 62 Ca -0.18 -0.17 -0.10 0.00 -0.01 0.00 0.00 64.34 63.88 1jri n VAL 62 Cb 0.50 -1.57 -0.15 0.00 -0.91 0.00 0.00 33.84 31.71 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 6.01 1.51 -3.58 2.52 -1.04 0.31 -4.93 114.28 115.09 1jri n THR 63 Ca 0.33 -0.81 -0.17 0.00 -2.04 0.00 0.00 64.05 61.36 1jri n THR 63 Cb 0.21 -0.81 -0.07 0.00 -1.82 0.00 0.00 70.33 67.84 1jri n THR 63 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1jri s ARG 64 N -2.54 0.96 -0.43 -2.82 0.52 -0.93 -4.96 118.95 108.74 1jri s ARG 64 Ca -0.09 0.23 -0.10 0.00 -0.52 0.00 0.00 55.73 55.25 1jri s ARG 64 Cb 0.07 0.45 0.07 0.00 0.52 0.00 0.00 34.95 36.06 1jri s ARG 64 CO 0.82 -0.28 0.28 1.03 0.02 0.00 0.00 175.30 177.17 1jri s ARG 65 N -1.07 2.68 0.08 3.54 1.81 -1.26 -1.10 118.95 123.62 1jri s ARG 65 Ca -0.10 -1.42 0.19 0.00 -1.72 0.00 0.00 55.73 52.68 1jri s ARG 65 Cb -0.01 -3.84 -0.13 0.00 -0.45 0.00 0.00 34.95 30.52 1jri s ARG 65 CO 0.08 -0.95 0.80 1.28 -0.68 0.00 0.00 175.30 175.83 1jri n LEU 66 N 4.97 0.70 0.00 2.53 4.77 -1.06 -5.02 117.00 123.89 1jri n LEU 66 Ca -0.11 0.29 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 1jri n LEU 66 Cb 0.43 0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1jri n LEU 66 CO 0.40 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 1jri n GLY 67 N 1.33 1.49 3.67 -0.72 0.00 -1.19 -4.69 105.19 105.09 1jri n GLY 67 Ca -0.07 -0.51 -0.42 0.00 0.00 0.00 0.00 46.02 45.02 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 4.81 0.01 2.61 2.01 -1.25 -0.46 115.64 123.37 1jri s THR 68 Ca 0.00 1.84 0.02 0.00 0.31 0.00 0.00 61.69 63.86 1jri s THR 68 Cb 0.00 -4.23 -0.01 0.00 0.01 0.00 0.00 72.50 68.27 1jri s THR 68 CO 0.00 -0.02 -0.05 0.54 -0.69 0.00 0.00 174.62 174.40 1jri s VAL 69 N 2.30 0.39 -0.24 3.82 0.11 0.19 -4.96 120.40 122.01 1jri s VAL 69 Ca 0.43 -0.46 -0.06 0.00 -2.93 0.00 0.00 61.98 58.96 1jri s VAL 69 Cb -0.17 -0.38 -0.02 0.00 -1.53 0.00 0.00 36.38 34.28 1jri s VAL 69 CO 0.13 -0.06 0.02 -0.22 -3.33 0.00 0.00 175.10 171.64 1jri s LEU 70 N -0.56 3.19 -0.08 2.54 2.96 -1.26 0.46 118.68 125.93 1jri s LEU 70 Ca -0.02 -0.29 0.00 0.00 -0.22 0.00 0.00 54.13 53.60 1jri s LEU 70 Cb -0.04 -1.84 -0.03 0.00 0.50 0.00 0.00 46.19 44.78 1jri s LEU 70 CO -0.00 -0.03 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.30 1jri s ILE 71 N 1.54 3.65 0.00 6.68 1.01 0.53 -4.95 121.20 129.66 1jri s ILE 71 Ca 0.06 -0.49 -0.30 0.00 0.00 0.00 0.00 60.65 59.92 1jri s ILE 71 Cb -0.15 -2.50 -0.03 0.00 0.01 0.00 0.00 42.46 39.79 1jri s ILE 71 CO 0.01 0.58 0.97 -0.13 0.00 0.00 0.00 174.94 176.37 1jri s ARG 72 N -0.61 4.56 0.32 2.79 0.52 -1.26 -1.04 118.95 124.22 1jri s ARG 72 Ca 0.09 1.40 0.01 0.00 -0.52 0.00 0.00 55.73 56.72 1jri s ARG 72 Cb -0.12 -3.46 0.56 0.00 0.52 0.00 0.00 34.95 32.45 1jri s ARG 72 CO 0.02 -0.04 1.94 0.78 0.02 0.00 0.00 175.30 178.02 1jri h GLY 73 N 6.77 1.19 1.02 -3.53 0.00 -1.72 -2.81 103.07 103.99 1jri h GLY 73 Ca -0.41 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 46.53 1jri h GLY 73 CO 0.75 0.32 0.42 -1.80 0.00 0.00 0.00 176.54 176.23 1jri h ASP 74 N 0.99 0.00 -0.01 0.19 3.58 -1.88 0.43 116.42 119.71 1jri h ASP 74 Ca 0.35 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.80 1jri h ASP 74 Cb 0.12 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.17 1jri h ASP 74 CO -0.11 0.00 -0.41 0.59 -2.88 0.00 0.00 179.24 176.43 1jri n ASN 75 N -2.36 1.71 -4.75 2.28 5.03 -1.06 -4.98 115.26 111.14 1jri n ASN 75 Ca -0.01 -1.36 -0.40 0.00 0.87 0.00 0.00 54.58 53.68 1jri n ASN 75 Cb 0.45 0.50 -0.05 0.00 -1.02 0.00 0.00 39.78 39.65 1jri n ASN 75 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1jri s ILE 76 N -2.12 4.29 -0.19 2.41 1.01 0.15 -0.86 121.20 125.88 1jri s ILE 76 Ca 0.15 2.01 -0.16 0.00 0.00 0.00 0.00 60.65 62.65 1jri s ILE 76 Cb 0.15 -4.29 -0.07 0.00 0.01 0.00 0.00 42.46 38.25 1jri s ILE 76 CO 0.47 0.43 -0.28 0.52 0.00 0.00 0.00 174.94 176.09 1jri n VAL 77 N 2.02 1.49 -3.89 2.92 0.31 0.12 -4.80 118.33 116.50 1jri n VAL 77 Ca -0.01 0.04 -0.09 0.00 -0.01 0.00 0.00 64.34 64.27 1jri n VAL 77 Cb 0.48 -2.25 -0.06 0.00 -0.91 0.00 0.00 33.84 31.10 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 -2.66 0.23 -0.04 3.52 -0.85 -1.05 -5.03 117.35 111.48 1jri s TYR 78 Ca -0.28 -0.60 0.01 0.00 -0.52 0.00 0.00 57.07 55.69 1jri s TYR 78 Cb 0.06 0.06 0.02 0.00 0.38 0.00 0.00 41.96 42.48 1jri s TYR 78 CO 0.41 -0.75 -0.05 0.42 -1.52 0.00 0.00 175.55 174.06 1jri s ILE 79 N -3.93 0.55 0.07 -3.49 1.01 -1.26 -1.05 121.20 113.11 1jri s ILE 79 Ca 0.14 -0.16 0.05 0.00 0.00 0.00 0.00 60.65 60.68 1jri s ILE 79 Cb 0.02 -0.55 -0.03 0.00 0.01 0.00 0.00 42.46 41.91 1jri s ILE 79 CO -0.02 0.22 -0.15 -0.94 0.00 0.00 0.00 174.94 174.05 1jri s SER 80 N 0.72 1.74 -0.14 3.58 1.04 -0.64 -4.96 113.70 115.03 1jri s SER 80 Ca -0.10 -0.63 -0.29 0.00 0.48 0.00 0.00 55.95 55.41 1jri s SER 80 Cb -0.13 -0.06 -0.05 0.00 0.10 0.00 0.00 66.02 65.89 1jri s SER 80 CO 0.00 -0.07 1.77 -0.13 0.98 0.00 0.00 173.24 175.79 1jri s ARG 81 N -1.77 3.84 0.00 4.02 0.52 -1.26 -0.80 118.95 123.49 1jri s ARG 81 Ca -0.01 1.99 0.00 0.00 -0.52 0.00 0.00 55.73 57.18 1jri s ARG 81 Cb -0.10 -4.10 0.00 0.00 0.52 0.00 0.00 34.95 31.28 1jri s ARG 81 CO 0.02 -1.26 0.00 0.41 0.02 0.00 0.00 175.30 174.49 1jri n GLY 82 N 4.69 -2.61 0.00 -3.53 0.00 0.25 -4.86 105.19 99.13 1jri n GLY 82 Ca 0.20 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.26 1jri n GLY 82 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90