#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jri n VAL 11 N 0.00 0.00 -0.01 3.53 0.24 -1.26 -5.16 118.33 115.67 1jri n VAL 11 Ca 0.00 0.07 0.00 0.00 -2.04 0.00 0.00 64.34 62.37 1jri n VAL 11 Cb 0.00 -0.92 -0.00 0.00 -1.47 0.00 0.00 33.84 31.45 1jri n VAL 11 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1jri n GLN 12 N -1.58 -0.04 -1.77 7.34 1.13 -1.26 -5.07 117.38 116.12 1jri n GLN 12 Ca 0.00 0.03 -0.00 0.00 -1.94 0.00 0.00 57.00 55.09 1jri n GLN 12 Cb 0.00 -0.04 -0.00 0.00 0.11 0.00 0.00 30.24 30.31 1jri n GLN 12 CO 0.00 0.00 0.00 -2.13 -1.44 0.00 0.00 177.06 173.49 1jri n ARG 13 N -1.55 -0.80 -0.30 -1.09 0.63 -1.26 -4.67 116.66 107.62 1jri n ARG 13 Ca -0.00 1.03 -0.00 0.00 -0.92 0.00 0.00 57.85 57.95 1jri n ARG 13 Cb 0.00 -1.99 0.06 0.00 0.45 0.00 0.00 32.46 30.99 1jri n ARG 13 CO 0.00 0.00 0.00 -1.35 -2.51 0.00 0.00 177.63 173.77 1jri h PRO 14 N 0.70 -0.04 0.00 -0.14 0.11 -2.03 0.46 132.00 131.06 1jri h PRO 14 Ca -0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1jri h PRO 14 Cb 0.01 0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.13 1jri h PRO 14 CO 0.02 -0.03 0.25 -0.07 -0.21 0.00 0.00 178.00 177.96 1jri h LEU 15 N -0.05 0.00 0.51 2.35 4.07 -1.99 -0.90 115.31 119.30 1jri h LEU 15 Ca 0.34 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 58.28 1jri h LEU 15 Cb 0.60 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.34 1jri h LEU 15 CO -0.85 0.00 -0.25 -0.78 -1.08 0.00 0.00 178.44 175.48 1jri h ASP 16 N 0.00 -0.58 -0.98 -0.43 3.58 -0.33 -2.71 116.42 114.96 1jri h ASP 16 Ca 0.00 -0.04 0.22 0.00 0.42 0.00 0.00 57.03 57.63 1jri h ASP 16 Cb 0.50 0.15 -0.09 0.00 1.72 0.00 0.00 39.33 41.61 1jri h ASP 16 CO 0.00 -0.32 0.63 0.00 -2.88 0.00 0.00 179.24 176.66 1jri h ALA 17 N -0.39 2.01 -0.32 -0.78 0.00 -1.26 0.15 119.26 118.66 1jri h ALA 17 Ca -0.07 0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.92 1jri h ALA 17 Cb 0.58 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1jri h ALA 17 CO 0.12 -0.37 0.16 -0.07 0.00 0.00 0.00 179.25 179.08 1jri h LEU 18 N 0.54 0.23 -0.60 0.00 3.38 -1.50 -1.14 115.31 116.23 1jri h LEU 18 Ca 0.55 0.01 0.12 0.00 0.09 0.00 0.00 57.88 58.66 1jri h LEU 18 Cb 1.17 -0.03 -0.10 0.00 0.09 0.00 0.00 40.66 41.80 1jri h LEU 18 CO -0.29 0.17 0.05 1.23 0.09 0.00 0.00 178.44 179.69 1jri h GLY 19 N 0.33 0.69 0.17 0.83 0.00 -0.46 0.27 103.07 104.91 1jri h GLY 19 Ca 0.13 0.04 0.23 0.00 0.00 0.00 0.00 47.33 47.74 1jri h GLY 19 CO -0.09 -0.16 0.69 3.43 0.00 0.00 0.00 176.54 180.40 1jri h ASN 20 N 0.17 0.00 0.03 0.19 4.21 -0.71 0.99 115.58 120.46 1jri h ASN 20 Ca 0.32 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.83 1jri h ASN 20 Cb 0.50 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.70 1jri h ASN 20 CO -0.47 0.00 -0.06 -1.20 -1.29 0.00 0.00 177.43 174.41 1jri n SER 21 N -3.94 1.52 -4.60 5.81 7.64 0.96 -4.95 113.62 116.06 1jri n SER 21 Ca 0.17 -1.41 -0.45 0.00 1.01 0.00 0.00 58.87 58.19 1jri n SER 21 Cb 0.97 0.03 -0.02 0.00 -1.01 0.00 0.00 64.21 64.19 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 0.09 2.03 -2.48 -3.43 4.77 0.34 -1.43 117.00 116.89 1jri n LEU 22 Ca 0.17 1.18 -0.18 0.00 -0.03 0.00 0.00 56.01 57.15 1jri n LEU 22 Cb 0.37 -1.31 -0.01 0.00 -2.33 0.00 0.00 43.42 40.14 1jri n LEU 22 CO 0.18 -1.25 -0.20 0.59 -1.33 0.00 0.00 177.39 175.38 1jri n ASN 23 N 1.24 -5.12 -4.16 -1.43 3.02 0.32 -4.95 115.26 104.18 1jri n ASN 23 Ca 0.09 0.03 -0.11 0.00 -0.03 0.00 0.00 54.58 54.57 1jri n ASN 23 Cb 0.32 -4.28 -0.10 0.00 -0.61 0.00 0.00 39.78 35.11 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 -2.10 1.16 0.37 6.41 0.01 -0.51 -4.91 113.70 114.13 1jri s SER 24 Ca 0.03 -0.96 -0.24 0.00 1.31 0.00 0.00 55.95 56.09 1jri s SER 24 Cb -0.01 0.08 -0.10 0.00 0.21 0.00 0.00 66.02 66.20 1jri s SER 24 CO 0.04 -0.43 0.99 -2.16 0.41 0.00 0.00 173.24 172.10 1jri s PRO 25 N -3.59 4.33 0.08 12.44 0.04 -1.26 -1.40 135.00 145.64 1jri s PRO 25 Ca 0.10 1.38 -0.02 0.00 0.04 0.00 0.00 61.00 62.51 1jri s PRO 25 Cb 0.03 -2.59 -0.04 0.00 0.04 0.00 0.00 34.50 31.95 1jri s PRO 25 CO -0.04 0.04 0.02 0.14 0.04 0.00 0.00 177.00 177.19 1jri s VAL 26 N -1.72 0.18 -0.17 -0.36 -7.23 0.48 -4.18 120.40 107.39 1jri s VAL 26 Ca 0.56 -1.80 -0.03 0.00 -1.81 0.00 0.00 61.98 58.90 1jri s VAL 26 Cb -0.19 -1.67 -0.01 0.00 0.56 0.00 0.00 36.38 35.06 1jri s VAL 26 CO 0.24 -0.80 -0.07 -0.63 -0.31 0.00 0.00 175.10 173.52 1jri s ILE 27 N -3.96 3.38 -0.24 -0.62 1.01 -0.49 -2.35 121.20 117.93 1jri s ILE 27 Ca 0.12 -0.52 -0.05 0.00 0.00 0.00 0.00 60.65 60.20 1jri s ILE 27 Cb 0.08 -2.48 -0.01 0.00 0.01 0.00 0.00 42.46 40.05 1jri s ILE 27 CO -0.06 0.47 0.01 -0.63 0.00 0.00 0.00 174.94 174.73 1jri s ILE 28 N 0.84 3.70 -0.25 2.92 -1.09 0.32 -1.48 121.20 126.17 1jri s ILE 28 Ca -0.02 -0.46 -0.11 0.00 -2.23 0.00 0.00 60.65 57.83 1jri s ILE 28 Cb -0.15 -2.74 -0.05 0.00 -1.58 0.00 0.00 42.46 37.94 1jri s ILE 28 CO 0.01 0.34 0.17 -0.75 -1.23 0.00 0.00 174.94 173.48 1jri s LYS 29 N 1.51 4.04 0.34 2.79 2.47 -0.43 -0.32 119.74 130.16 1jri s LYS 29 Ca 0.05 -0.28 0.07 0.00 -1.56 0.00 0.00 55.97 54.26 1jri s LYS 29 Cb -0.15 -3.57 -0.02 0.00 -1.46 0.00 0.00 37.83 32.63 1jri s LYS 29 CO -0.01 0.00 0.37 -0.51 0.16 0.00 0.00 175.35 175.37 1jri s LEU 30 N 1.23 3.73 0.27 5.43 1.43 -0.01 -0.07 118.68 130.69 1jri s LEU 30 Ca 0.08 -0.39 -0.30 0.00 -1.03 0.00 0.00 54.13 52.49 1jri s LEU 30 Cb -0.14 -2.42 -0.10 0.00 0.03 0.00 0.00 46.19 43.56 1jri s LEU 30 CO 0.06 -0.41 1.38 -0.54 0.23 0.00 0.00 176.35 177.07 1jri s LYS 31 N -4.08 4.31 0.00 1.70 1.02 -0.26 -1.20 119.74 121.23 1jri s LYS 31 Ca 0.43 2.25 0.00 0.00 0.02 0.00 0.00 55.97 58.67 1jri s LYS 31 Cb -0.07 -3.11 0.00 0.00 -0.52 0.00 0.00 37.83 34.13 1jri s LYS 31 CO 0.29 -0.33 0.00 0.41 -0.92 0.00 0.00 175.35 174.80 1jri n GLY 32 N 1.73 0.43 2.76 -3.33 0.00 -1.26 -4.45 105.19 101.06 1jri n GLY 32 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.56 -4.73 1.61 9.92 -0.34 -5.00 116.55 115.45 1jri n ASP 33 Ca 0.00 0.00 -0.41 0.00 -0.53 0.00 0.00 54.79 53.85 1jri n ASP 33 Cb 0.00 -1.36 -0.04 0.00 -0.64 0.00 0.00 41.12 39.07 1jri n ASP 33 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 1jri s ARG 34 N -0.61 4.70 0.21 -1.24 0.52 -1.25 -4.79 118.95 116.50 1jri s ARG 34 Ca 0.00 1.48 0.11 0.00 -0.52 0.00 0.00 55.73 56.79 1jri s ARG 34 Cb 0.00 -3.36 -0.05 0.00 0.52 0.00 0.00 34.95 32.06 1jri s ARG 34 CO 0.00 0.23 -0.21 -1.83 0.02 0.00 0.00 175.30 173.51 1jri s GLU 35 N -0.12 1.49 0.08 3.54 -1.05 -1.23 -0.83 118.70 120.58 1jri s GLU 35 Ca 0.47 -1.56 0.08 0.00 -0.15 0.00 0.00 54.97 53.80 1jri s GLU 35 Cb -0.24 -1.66 -0.03 0.00 -0.44 0.00 0.00 34.13 31.76 1jri s GLU 35 CO 0.30 0.34 -0.21 -0.06 0.95 0.00 0.00 175.26 176.59 1jri s PHE 36 N -2.04 1.77 -0.09 4.83 0.40 0.57 -1.08 117.98 122.34 1jri s PHE 36 Ca 0.22 -0.40 0.02 0.00 -0.60 0.00 0.00 56.93 56.17 1jri s PHE 36 Cb -0.06 -1.00 0.01 0.00 0.51 0.00 0.00 43.02 42.48 1jri s PHE 36 CO 0.10 0.16 -0.16 1.03 0.70 0.00 0.00 175.22 177.06 1jri s ARG 37 N -1.65 2.17 0.00 0.44 1.81 -0.64 -0.52 118.95 120.56 1jri s ARG 37 Ca 0.06 -0.56 0.00 0.00 -1.72 0.00 0.00 55.73 53.51 1jri s ARG 37 Cb -0.10 -1.76 0.00 0.00 -0.45 0.00 0.00 34.95 32.64 1jri s ARG 37 CO 0.03 0.03 0.00 0.41 -0.68 0.00 0.00 175.30 175.09 1jri n GLY 38 N 3.88 -0.73 3.66 -3.53 0.00 -0.99 -0.89 105.19 106.59 1jri n GLY 38 Ca -0.21 -0.98 -0.40 0.00 0.00 0.00 0.00 46.02 44.44 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 5.00 -0.04 1.61 1.01 -0.73 -0.39 120.40 124.86 1jri s VAL 39 Ca 0.00 1.23 -0.30 0.00 0.00 0.00 0.00 61.98 62.91 1jri s VAL 39 Cb 0.00 -3.96 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 1jri s VAL 39 CO 0.00 0.09 1.37 -0.22 0.00 0.00 0.00 175.10 176.35 1jri s LEU 40 N 2.00 4.29 -0.15 3.92 2.96 -0.49 -1.27 118.68 129.93 1jri s LEU 40 Ca 0.29 2.01 0.07 0.00 -0.22 0.00 0.00 54.13 56.29 1jri s LEU 40 Cb -0.16 -3.55 -0.14 0.00 0.50 0.00 0.00 46.19 42.83 1jri s LEU 40 CO 0.10 -0.73 -0.05 0.29 -1.32 0.00 0.00 176.35 174.65 1jri n LYS 41 N 5.74 1.15 -3.79 1.98 4.76 -0.54 0.12 118.16 127.58 1jri n LYS 41 Ca 0.13 0.04 -0.06 0.00 -2.87 0.00 0.00 58.31 55.56 1jri n LYS 41 Cb 0.44 -1.35 -0.02 0.00 -1.84 0.00 0.00 35.03 32.26 1jri n LYS 41 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1jri s SER 42 N -5.16 -0.24 -0.11 4.39 1.04 -1.24 -4.78 113.70 107.61 1jri s SER 42 Ca -0.15 -0.48 -0.30 0.00 0.48 0.00 0.00 55.95 55.50 1jri s SER 42 Cb 0.05 0.61 0.12 0.00 0.10 0.00 0.00 66.02 66.90 1jri s SER 42 CO 0.49 -1.12 0.97 0.72 0.98 0.00 0.00 173.24 175.29 1jri s PHE 43 N -3.61 -0.35 0.54 5.02 -0.71 -1.26 -2.18 117.98 115.43 1jri s PHE 43 Ca 0.11 0.48 0.03 0.00 -1.04 0.00 0.00 56.93 56.51 1jri s PHE 43 Cb -0.04 0.48 0.03 0.00 -1.21 0.00 0.00 43.02 42.28 1jri s PHE 43 CO 0.04 -0.40 0.25 0.16 -1.34 0.00 0.00 175.22 173.93 1jri s ASP 44 N -1.59 4.43 0.47 1.98 3.84 -0.61 -4.99 116.67 120.20 1jri s ASP 44 Ca 0.01 -1.45 0.32 0.00 -0.00 0.00 0.00 52.55 51.43 1jri s ASP 44 Cb -0.01 0.56 1.66 0.00 -1.38 0.00 0.00 42.92 43.75 1jri s ASP 44 CO -0.02 -1.05 1.97 -0.07 -0.00 0.00 0.00 175.17 176.00 1jri h LEU 45 N 0.94 0.00 -1.12 2.11 3.38 -2.03 -1.62 115.31 116.98 1jri h LEU 45 Ca -0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.58 1jri h LEU 45 Cb 1.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.06 1jri h LEU 45 CO 0.63 0.00 0.00 1.41 0.09 0.00 0.00 178.44 180.57 1jri n HIS 46 N -2.64 0.12 -0.96 1.13 8.25 -1.26 -4.89 115.22 114.97 1jri n HIS 46 Ca -0.02 -0.06 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 1jri n HIS 46 Cb 0.09 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.20 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 0.34 0.00 -1.83 -0.41 2.81 -0.61 -4.11 117.12 113.31 1jri n MET 47 Ca 0.17 0.00 -0.42 0.00 -1.81 0.00 0.00 57.70 55.65 1jri n MET 47 Cb 0.36 -2.46 -0.02 0.00 -0.71 0.00 0.00 33.22 30.39 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 -2.87 6.46 0.13 7.83 0.01 -1.26 -3.76 114.94 121.48 1jri s ASN 48 Ca 0.00 2.81 -0.06 0.00 -0.71 0.00 0.00 52.86 54.90 1jri s ASN 48 Cb 0.00 -2.61 -0.02 0.00 0.41 0.00 0.00 41.25 39.03 1jri s ASN 48 CO 0.00 -0.88 0.17 -1.48 -1.51 0.00 0.00 177.10 173.40 1jri s LEU 49 N 0.42 1.43 -0.06 0.60 0.05 -0.44 -1.57 118.68 119.11 1jri s LEU 49 Ca 0.68 -0.95 0.05 0.00 0.05 0.00 0.00 54.13 53.96 1jri s LEU 49 Cb -0.47 0.80 -0.02 0.00 -2.05 0.00 0.00 46.19 44.46 1jri s LEU 49 CO 0.38 -0.79 -0.21 -0.69 -0.55 0.00 0.00 176.35 174.49 1jri s VAL 50 N -3.97 2.43 0.01 1.48 1.01 -0.93 -0.39 120.40 120.04 1jri s VAL 50 Ca 0.16 -0.94 0.07 0.00 0.00 0.00 0.00 61.98 61.28 1jri s VAL 50 Cb 0.05 -1.91 -0.02 0.00 0.00 0.00 0.00 36.38 34.50 1jri s VAL 50 CO -0.02 0.57 -0.22 -0.76 0.00 0.00 0.00 175.10 174.67 1jri s LEU 51 N -0.34 2.10 0.10 3.92 1.43 0.02 -1.47 118.68 124.42 1jri s LEU 51 Ca 0.02 -0.47 0.03 0.00 -1.03 0.00 0.00 54.13 52.69 1jri s LEU 51 Cb -0.12 -1.12 -0.04 0.00 0.03 0.00 0.00 46.19 44.94 1jri s LEU 51 CO 0.02 0.24 0.11 0.20 0.23 0.00 0.00 176.35 177.15 1jri s ASN 52 N -0.82 5.64 -1.36 2.29 -0.87 -0.40 -0.79 114.94 118.63 1jri s ASN 52 Ca 0.09 0.00 0.00 0.00 -1.57 0.00 0.00 52.86 51.38 1jri s ASN 52 Cb -0.09 -1.54 0.00 0.00 -0.02 0.00 0.00 41.25 39.60 1jri s ASN 52 CO 0.00 0.15 0.00 0.47 -2.57 0.00 0.00 177.10 175.15 1jri n ASP 53 N 0.26 -4.25 -4.65 -1.22 8.00 -1.07 -1.78 116.55 111.85 1jri n ASP 53 Ca -0.08 0.22 -0.37 0.00 0.71 0.00 0.00 54.79 55.27 1jri n ASP 53 Cb 0.52 -3.69 0.07 0.00 -0.02 0.00 0.00 41.12 38.00 1jri n ASP 53 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jri n ALA 54 N -1.17 0.35 -3.68 2.24 0.00 0.25 -4.69 120.51 113.79 1jri n ALA 54 Ca -0.16 -0.05 -0.13 0.00 0.00 0.00 0.00 53.44 53.09 1jri n ALA 54 Cb 0.58 -2.18 -0.13 0.00 0.00 0.00 0.00 19.45 17.72 1jri n ALA 54 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1jri s GLU 55 N -3.11 0.15 0.10 0.00 2.02 -0.07 -2.35 118.70 115.44 1jri s GLU 55 Ca 0.78 0.66 -0.30 0.00 0.02 0.00 0.00 54.97 56.13 1jri s GLU 55 Cb -0.38 -0.08 -0.06 0.00 0.10 0.00 0.00 34.13 33.71 1jri s GLU 55 CO 0.45 -0.25 1.05 -2.00 0.02 0.00 0.00 175.26 174.53 1jri s GLU 56 N 2.04 4.59 0.07 1.61 2.56 0.50 -1.62 118.70 128.46 1jri s GLU 56 Ca -0.02 1.58 0.08 0.00 0.00 0.00 0.00 54.97 56.61 1jri s GLU 56 Cb -0.12 -3.36 -0.03 0.00 2.00 0.00 0.00 34.13 32.62 1jri s GLU 56 CO -0.08 0.04 -0.20 -0.51 -0.56 0.00 0.00 175.26 173.95 1jri s LEU 57 N 0.29 2.56 -0.53 2.70 1.02 -0.24 0.35 118.68 124.82 1jri s LEU 57 Ca 0.51 -0.50 0.06 0.00 0.02 0.00 0.00 54.13 54.22 1jri s LEU 57 Cb -0.26 -1.48 0.21 0.00 0.02 0.00 0.00 46.19 44.69 1jri s LEU 57 CO 0.31 0.23 0.53 1.21 0.02 0.00 0.00 176.35 178.65 1jri n GLU 58 N 1.35 1.32 -2.25 1.70 4.07 -0.28 -3.56 120.64 123.00 1jri n GLU 58 Ca -0.16 -3.87 -0.01 0.00 -0.06 0.00 0.00 57.16 53.05 1jri n GLU 58 Cb 0.52 -1.83 0.00 0.00 -0.06 0.00 0.00 31.44 30.07 1jri n GLU 58 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 1jri n ASP 59 N 1.71 -4.94 0.00 4.31 8.00 -1.26 -3.93 116.55 120.44 1jri n ASP 59 Ca 0.25 0.05 0.00 0.00 0.71 0.00 0.00 54.79 55.80 1jri n ASP 59 Cb 0.45 -3.18 0.00 0.00 -0.02 0.00 0.00 41.12 38.37 1jri n ASP 59 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jri n GLY 60 N -1.11 1.99 3.24 0.44 0.00 -1.26 -4.96 105.19 103.53 1jri n GLY 60 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 1jri n GLY 60 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jri s GLU 61 N 0.00 3.11 0.58 1.61 0.41 -1.25 -5.11 118.70 118.04 1jri s GLU 61 Ca 0.00 -0.84 -0.19 0.00 -0.41 0.00 0.00 54.97 53.52 1jri s GLU 61 Cb 0.00 -2.38 -0.05 0.00 -1.78 0.00 0.00 34.13 29.91 1jri s GLU 61 CO 0.00 0.16 1.02 0.28 -0.49 0.00 0.00 175.26 176.22 1jri n VAL 62 N 3.61 3.59 0.00 2.63 0.31 -1.26 -1.12 118.33 126.08 1jri n VAL 62 Ca -0.19 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.64 1jri n VAL 62 Cb 0.53 -1.21 0.00 0.00 -0.91 0.00 0.00 33.84 32.25 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 -1.52 0.00 -3.63 2.52 -1.04 0.16 -4.76 114.28 106.01 1jri n THR 63 Ca 0.13 -0.20 -0.05 0.00 -2.04 0.00 0.00 64.05 61.90 1jri n THR 63 Cb 0.46 0.77 -0.05 0.00 -1.82 0.00 0.00 70.33 69.68 1jri n THR 63 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 1jri s ARG 64 N -0.79 0.21 -0.22 -2.82 3.52 -1.23 -4.98 118.95 112.65 1jri s ARG 64 Ca 0.00 0.12 -0.05 0.00 -0.13 0.00 0.00 55.73 55.67 1jri s ARG 64 Cb 0.00 0.10 -0.02 0.00 -1.56 0.00 0.00 34.95 33.47 1jri s ARG 64 CO 0.00 -0.05 -0.01 1.03 -0.81 0.00 0.00 175.30 175.46 1jri s ARG 65 N -0.59 3.52 -0.00 5.12 0.52 -1.26 -0.37 118.95 125.89 1jri s ARG 65 Ca 0.06 -0.56 0.16 0.00 -0.52 0.00 0.00 55.73 54.87 1jri s ARG 65 Cb -0.02 -3.09 -0.18 0.00 0.52 0.00 0.00 34.95 32.17 1jri s ARG 65 CO -0.08 -0.11 0.61 1.28 0.02 0.00 0.00 175.30 177.03 1jri n LEU 66 N 4.58 0.62 0.00 2.53 4.32 -0.99 -5.00 117.00 123.07 1jri n LEU 66 Ca -0.17 -0.42 0.00 0.00 -0.02 0.00 0.00 56.01 55.39 1jri n LEU 66 Cb 0.51 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.31 1jri n LEU 66 CO 0.30 0.16 0.00 0.61 -1.22 0.00 0.00 177.39 177.24 1jri n GLY 67 N 1.40 2.30 3.68 -0.72 0.00 -1.19 -4.58 105.19 106.08 1jri n GLY 67 Ca 0.02 -0.34 -0.40 0.00 0.00 0.00 0.00 46.02 45.30 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 5.01 0.06 2.61 2.01 -1.26 -0.59 115.64 123.48 1jri s THR 68 Ca 0.00 1.36 0.04 0.00 0.31 0.00 0.00 61.69 63.40 1jri s THR 68 Cb 0.00 -4.01 -0.03 0.00 0.01 0.00 0.00 72.50 68.47 1jri s THR 68 CO 0.00 0.15 -0.12 0.54 -0.69 0.00 0.00 174.62 174.50 1jri s VAL 69 N 1.55 0.89 -0.25 3.82 0.11 0.03 -4.96 120.40 121.60 1jri s VAL 69 Ca 0.33 -1.22 -0.03 0.00 -2.93 0.00 0.00 61.98 58.13 1jri s VAL 69 Cb -0.17 -0.90 0.01 0.00 -1.53 0.00 0.00 36.38 33.80 1jri s VAL 69 CO 0.13 -0.29 -0.02 -0.22 -3.33 0.00 0.00 175.10 171.37 1jri s LEU 70 N -1.68 3.23 -0.14 2.54 0.20 -1.26 -0.80 118.68 120.76 1jri s LEU 70 Ca -0.05 -0.68 -0.05 0.00 0.69 0.00 0.00 54.13 54.05 1jri s LEU 70 Cb -0.10 -1.74 -0.03 0.00 -0.43 0.00 0.00 46.19 43.89 1jri s LEU 70 CO 0.02 -0.11 0.02 -0.63 -0.29 0.00 0.00 176.35 175.36 1jri s ILE 71 N 1.41 4.41 0.10 6.68 1.01 0.48 -4.98 121.20 130.31 1jri s ILE 71 Ca 0.03 -0.19 -0.30 0.00 0.00 0.00 0.00 60.65 60.19 1jri s ILE 71 Cb -0.16 -2.93 -0.06 0.00 0.01 0.00 0.00 42.46 39.33 1jri s ILE 71 CO -0.03 0.52 1.04 -0.13 0.00 0.00 0.00 174.94 176.34 1jri s ARG 72 N -0.08 4.61 0.30 2.79 0.52 -1.26 -1.33 118.95 124.49 1jri s ARG 72 Ca 0.04 1.57 0.01 0.00 -0.52 0.00 0.00 55.73 56.83 1jri s ARG 72 Cb -0.13 -3.36 0.54 0.00 0.52 0.00 0.00 34.95 32.53 1jri s ARG 72 CO 0.02 0.06 1.90 0.78 0.02 0.00 0.00 175.30 178.08 1jri h GLY 73 N 5.82 1.37 1.17 -3.53 0.00 -1.71 -2.73 103.07 103.46 1jri h GLY 73 Ca -0.43 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 46.49 1jri h GLY 73 CO 0.74 0.27 0.39 -1.80 0.00 0.00 0.00 176.54 176.15 1jri h ASP 74 N 1.01 0.00 0.29 0.19 3.58 -1.90 0.97 116.42 120.57 1jri h ASP 74 Ca 0.41 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.86 1jri h ASP 74 Cb 0.27 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.32 1jri h ASP 74 CO -0.17 0.00 -0.98 0.59 -2.88 0.00 0.00 179.24 175.81 1jri n ASN 75 N -2.67 0.67 -4.76 2.28 3.02 -1.03 -4.96 115.26 107.81 1jri n ASN 75 Ca -0.02 -0.44 -0.39 0.00 -0.03 0.00 0.00 54.58 53.70 1jri n ASN 75 Cb 0.43 0.82 -0.05 0.00 -0.61 0.00 0.00 39.78 40.38 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 -3.12 3.74 -0.23 2.41 1.01 0.33 -1.10 121.20 124.24 1jri s ILE 76 Ca 0.06 1.65 -0.04 0.00 0.00 0.00 0.00 60.65 62.32 1jri s ILE 76 Cb 0.15 -4.02 -0.12 0.00 0.01 0.00 0.00 42.46 38.48 1jri s ILE 76 CO 0.81 0.32 -0.24 0.52 0.00 0.00 0.00 174.94 176.35 1jri n VAL 77 N 1.02 1.28 -3.59 2.92 0.31 0.90 -4.83 118.33 116.34 1jri n VAL 77 Ca -0.00 -0.41 -0.10 0.00 -0.01 0.00 0.00 64.34 63.81 1jri n VAL 77 Cb 0.47 -1.52 -0.02 0.00 -0.91 0.00 0.00 33.84 31.85 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 -2.44 -0.40 -0.13 3.52 -0.85 -1.15 -5.02 117.35 110.88 1jri s TYR 78 Ca -0.31 0.10 -0.02 0.00 -0.52 0.00 0.00 57.07 56.32 1jri s TYR 78 Cb 0.10 0.62 0.04 0.00 0.38 0.00 0.00 41.96 43.10 1jri s TYR 78 CO 0.47 -0.99 0.00 0.42 -1.52 0.00 0.00 175.55 173.93 1jri s ILE 79 N -3.80 0.54 0.17 -3.49 1.01 -1.26 -1.31 121.20 113.05 1jri s ILE 79 Ca 0.05 -0.22 0.08 0.00 0.00 0.00 0.00 60.65 60.55 1jri s ILE 79 Cb -0.03 -0.82 -0.04 0.00 0.01 0.00 0.00 42.46 41.58 1jri s ILE 79 CO -0.05 0.08 -0.05 -0.55 0.00 0.00 0.00 174.94 174.37 1jri s SER 80 N 1.88 4.52 -0.54 3.58 0.15 -0.55 -4.93 113.70 117.82 1jri s SER 80 Ca 0.02 -0.47 -0.05 0.00 0.70 0.00 0.00 55.95 56.16 1jri s SER 80 Cb -0.14 -0.88 -0.12 0.00 -1.71 0.00 0.00 66.02 63.17 1jri s SER 80 CO -0.07 0.11 2.48 -2.11 1.20 0.00 0.00 173.24 174.85 1jri n ARG 81 N 0.05 1.91 0.00 5.44 1.85 -1.26 -1.39 116.66 123.26 1jri n ARG 81 Ca -0.11 -1.15 0.16 0.00 -1.00 0.00 0.00 57.85 55.75 1jri n ARG 81 Cb 0.55 -2.18 0.94 0.00 -1.05 0.00 0.00 32.46 30.72 1jri n ARG 81 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03