#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jri s ARG 13 N 0.00 4.58 0.06 2.61 0.52 -1.26 -4.91 118.95 120.55 1jri s ARG 13 Ca 0.00 1.57 -0.07 0.00 -0.52 0.00 0.00 55.73 56.70 1jri s ARG 13 Cb 0.00 -2.99 0.04 0.00 0.52 0.00 0.00 34.95 32.52 1jri s ARG 13 CO 0.00 0.22 0.49 -2.30 0.02 0.00 0.00 175.30 173.74 1jri n PRO 14 N 0.86 -0.10 -0.35 3.54 -0.02 -1.26 0.11 135.00 137.78 1jri n PRO 14 Ca 0.01 0.49 -0.02 0.00 -2.02 0.00 0.00 63.50 61.96 1jri n PRO 14 Cb 0.47 -0.72 0.11 0.00 -0.02 0.00 0.00 33.50 33.35 1jri n PRO 14 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1jri h LEU 15 N 0.00 1.05 -0.16 2.45 4.07 -1.98 -0.48 115.31 120.25 1jri h LEU 15 Ca 0.09 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 58.03 1jri h LEU 15 Cb 0.17 -0.25 0.00 0.00 1.08 0.00 0.00 40.66 41.65 1jri h LEU 15 CO -0.31 0.74 0.21 0.47 -1.08 0.00 0.00 178.44 178.47 1jri n ASP 16 N -4.46 0.06 0.08 -0.43 8.00 0.31 0.40 116.55 120.51 1jri n ASP 16 Ca 0.12 0.35 -0.22 0.00 0.71 0.00 0.00 54.79 55.74 1jri n ASP 16 Cb 0.05 -0.34 -0.15 0.00 -0.02 0.00 0.00 41.12 40.66 1jri n ASP 16 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jri h ALA 17 N 1.22 -0.02 -1.00 2.24 0.00 -1.12 -3.28 119.26 117.29 1jri h ALA 17 Ca 0.00 -0.90 0.18 0.00 0.00 0.00 0.00 54.91 54.19 1jri h ALA 17 Cb 0.43 0.26 -0.10 0.00 0.00 0.00 0.00 17.79 18.38 1jri h ALA 17 CO 0.00 0.67 0.62 -0.07 0.00 0.00 0.00 179.25 180.47 1jri h LEU 18 N -0.12 0.81 -0.87 0.00 3.38 -0.14 0.16 115.31 118.53 1jri h LEU 18 Ca -0.25 0.09 0.10 0.00 0.09 0.00 0.00 57.88 57.91 1jri h LEU 18 Cb 1.91 -0.06 -0.08 0.00 0.09 0.00 0.00 40.66 42.52 1jri h LEU 18 CO 0.18 0.32 0.50 1.23 0.09 0.00 0.00 178.44 180.76 1jri h GLY 19 N 0.80 1.37 0.38 0.83 0.00 -1.60 0.24 103.07 105.09 1jri h GLY 19 Ca 0.56 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.56 1jri h GLY 19 CO -0.36 0.13 0.00 0.70 0.00 0.00 0.00 176.54 177.01 1jri n ASN 20 N -4.72 0.00 0.00 0.19 3.02 0.54 -1.73 115.26 112.55 1jri n ASN 20 Ca 0.15 -0.81 0.00 0.00 -0.03 0.00 0.00 54.58 53.89 1jri n ASN 20 Cb 0.30 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.47 1jri n ASN 20 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1jri n SER 21 N -0.69 0.78 -4.59 6.41 7.64 0.81 -5.01 113.62 118.96 1jri n SER 21 Ca 0.05 -0.99 -0.45 0.00 1.01 0.00 0.00 58.87 58.48 1jri n SER 21 Cb 0.02 0.01 -0.02 0.00 -1.01 0.00 0.00 64.21 63.21 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 -0.01 1.80 -0.13 -3.43 4.77 -0.71 -0.19 117.00 119.10 1jri n LEU 22 Ca 0.00 1.17 -0.02 0.00 -0.03 0.00 0.00 56.01 57.13 1jri n LEU 22 Cb 0.05 -1.28 -0.01 0.00 -2.33 0.00 0.00 43.42 39.85 1jri n LEU 22 CO 0.00 -1.34 -0.02 0.59 -1.33 0.00 0.00 177.39 175.29 1jri n ASN 23 N 1.40 -5.02 -4.74 -1.43 3.02 0.29 -4.98 115.26 103.79 1jri n ASN 23 Ca 0.11 0.04 -0.25 0.00 -0.03 0.00 0.00 54.58 54.45 1jri n ASN 23 Cb 0.31 -2.68 -0.06 0.00 -0.61 0.00 0.00 39.78 36.74 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 5.17 -0.04 6.41 0.01 0.73 -4.79 113.70 119.09 1jri s SER 24 Ca 0.00 -0.32 -0.30 0.00 1.31 0.00 0.00 55.95 56.65 1jri s SER 24 Cb 0.00 -1.22 -0.04 0.00 0.21 0.00 0.00 66.02 64.96 1jri s SER 24 CO 0.00 0.03 1.33 -2.16 0.41 0.00 0.00 173.24 172.86 1jri s PRO 25 N -3.35 4.30 0.29 12.44 0.04 -1.26 -1.37 135.00 146.08 1jri s PRO 25 Ca 0.31 1.85 0.06 0.00 0.04 0.00 0.00 61.00 63.25 1jri s PRO 25 Cb -0.09 -3.61 -0.06 0.00 0.04 0.00 0.00 34.50 30.79 1jri s PRO 25 CO 0.22 -0.56 -0.03 0.14 0.04 0.00 0.00 177.00 176.81 1jri s VAL 26 N 2.53 1.51 -0.16 -0.36 -7.23 0.04 -0.33 120.40 116.39 1jri s VAL 26 Ca 0.61 -2.09 0.02 0.00 -1.81 0.00 0.00 61.98 58.70 1jri s VAL 26 Cb -0.28 -2.51 0.02 0.00 0.56 0.00 0.00 36.38 34.16 1jri s VAL 26 CO 0.24 -0.24 -0.21 -0.63 -0.31 0.00 0.00 175.10 173.95 1jri s ILE 27 N -3.10 2.06 -0.18 -0.62 1.01 0.24 -2.55 121.20 118.06 1jri s ILE 27 Ca 0.31 -0.95 -0.06 0.00 0.00 0.00 0.00 60.65 59.95 1jri s ILE 27 Cb 0.05 -1.84 -0.03 0.00 0.01 0.00 0.00 42.46 40.65 1jri s ILE 27 CO 0.12 0.54 0.02 -0.63 0.00 0.00 0.00 174.94 174.99 1jri s ILE 28 N 1.10 4.27 -0.22 2.92 -1.09 0.62 -0.97 121.20 127.83 1jri s ILE 28 Ca 0.00 -0.21 -0.06 0.00 -2.23 0.00 0.00 60.65 58.15 1jri s ILE 28 Cb -0.14 -2.92 -0.02 0.00 -1.58 0.00 0.00 42.46 37.80 1jri s ILE 28 CO -0.09 0.45 0.01 -0.75 -1.23 0.00 0.00 174.94 173.34 1jri s LYS 29 N 0.60 3.60 0.29 2.79 2.36 -0.73 -0.09 119.74 128.57 1jri s LYS 29 Ca 0.00 -0.52 0.06 0.00 -2.55 0.00 0.00 55.97 52.97 1jri s LYS 29 Cb -0.14 -3.14 -0.02 0.00 -1.05 0.00 0.00 37.83 33.48 1jri s LYS 29 CO 0.02 -0.07 0.34 -0.51 1.55 0.00 0.00 175.35 176.68 1jri s LEU 30 N 1.24 3.98 0.48 5.43 1.43 0.77 -0.05 118.68 131.97 1jri s LEU 30 Ca 0.04 -0.17 -0.24 0.00 -1.03 0.00 0.00 54.13 52.73 1jri s LEU 30 Cb -0.15 -2.61 -0.07 0.00 0.03 0.00 0.00 46.19 43.40 1jri s LEU 30 CO 0.01 -0.22 1.37 -0.54 0.23 0.00 0.00 176.35 177.20 1jri s LYS 31 N -4.01 3.52 0.00 1.70 1.02 0.55 -2.37 119.74 120.15 1jri s LYS 31 Ca 0.38 2.27 0.00 0.00 0.02 0.00 0.00 55.97 58.64 1jri s LYS 31 Cb -0.08 -2.50 0.00 0.00 -0.52 0.00 0.00 37.83 34.73 1jri s LYS 31 CO 0.28 -0.90 0.00 0.41 -0.92 0.00 0.00 175.35 174.22 1jri n GLY 32 N 0.64 0.76 2.37 -3.33 0.00 -1.26 -4.15 105.19 100.21 1jri n GLY 32 Ca 0.07 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.93 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 -4.88 -4.84 1.61 8.00 -1.00 -5.00 116.55 110.45 1jri n ASP 33 Ca 0.00 0.13 -0.37 0.00 0.71 0.00 0.00 54.79 55.27 1jri n ASP 33 Cb 0.00 -3.93 -0.06 0.00 -0.02 0.00 0.00 41.12 37.12 1jri n ASP 33 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1jri s ARG 34 N -4.30 4.00 0.07 -1.24 3.52 -1.21 -4.93 118.95 114.87 1jri s ARG 34 Ca 0.00 0.50 0.06 0.00 -0.13 0.00 0.00 55.73 56.17 1jri s ARG 34 Cb 0.00 -3.08 -0.03 0.00 -1.56 0.00 0.00 34.95 30.28 1jri s ARG 34 CO 0.00 0.58 -0.17 -2.00 -0.81 0.00 0.00 175.30 172.90 1jri s GLU 35 N -1.54 1.00 0.13 5.12 2.12 -1.23 -0.16 118.70 124.13 1jri s GLU 35 Ca 0.32 -0.96 0.06 0.00 0.36 0.00 0.00 54.97 54.75 1jri s GLU 35 Cb -0.16 -1.09 -0.04 0.00 0.26 0.00 0.00 34.13 33.09 1jri s GLU 35 CO 0.18 0.26 -0.13 -0.06 -0.54 0.00 0.00 175.26 174.96 1jri s PHE 36 N -1.07 1.38 -0.07 5.30 0.40 0.88 -0.96 117.98 123.83 1jri s PHE 36 Ca 0.02 -0.58 -0.05 0.00 -0.60 0.00 0.00 56.93 55.72 1jri s PHE 36 Cb -0.09 -0.72 0.03 0.00 0.51 0.00 0.00 43.02 42.75 1jri s PHE 36 CO 0.02 0.14 0.17 1.03 0.70 0.00 0.00 175.22 177.29 1jri s ARG 37 N -2.84 0.16 0.00 0.44 0.52 -1.01 -0.28 118.95 115.95 1jri s ARG 37 Ca 0.10 0.32 0.00 0.00 -0.52 0.00 0.00 55.73 55.63 1jri s ARG 37 Cb -0.04 -0.02 0.00 0.00 0.52 0.00 0.00 34.95 35.41 1jri s ARG 37 CO 0.03 -0.09 0.00 0.41 0.02 0.00 0.00 175.30 175.67 1jri n GLY 38 N 3.56 -1.21 3.61 -3.53 0.00 -1.06 -1.23 105.19 105.35 1jri n GLY 38 Ca -0.19 -1.03 -0.39 0.00 0.00 0.00 0.00 46.02 44.41 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 5.13 0.08 1.61 1.01 -0.02 -0.78 120.40 125.43 1jri s VAL 39 Ca 0.00 0.70 -0.31 0.00 0.00 0.00 0.00 61.98 62.38 1jri s VAL 39 Cb 0.00 -3.75 -0.07 0.00 0.00 0.00 0.00 36.38 32.55 1jri s VAL 39 CO 0.00 0.14 1.44 -0.22 0.00 0.00 0.00 175.10 176.46 1jri s LEU 40 N 2.11 4.35 -0.01 3.92 2.96 -0.47 -0.31 118.68 131.23 1jri s LEU 40 Ca 0.18 2.31 0.05 0.00 -0.22 0.00 0.00 54.13 56.45 1jri s LEU 40 Cb -0.16 -3.58 -0.08 0.00 0.50 0.00 0.00 46.19 42.88 1jri s LEU 40 CO 0.09 -0.72 0.14 0.29 -1.32 0.00 0.00 176.35 174.84 1jri n LYS 41 N 4.58 1.43 -3.60 1.98 4.76 0.02 0.10 118.16 127.45 1jri n LYS 41 Ca 0.13 -0.04 -0.04 0.00 -2.87 0.00 0.00 58.31 55.50 1jri n LYS 41 Cb 0.42 -1.03 -0.02 0.00 -1.84 0.00 0.00 35.03 32.56 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 -2.33 -0.15 0.19 4.39 1.04 -1.23 -4.81 113.70 110.81 1jri s SER 42 Ca -0.01 -0.04 -0.23 0.00 0.48 0.00 0.00 55.95 56.15 1jri s SER 42 Cb 0.03 0.19 0.05 0.00 0.10 0.00 0.00 66.02 66.39 1jri s SER 42 CO 0.22 -0.31 0.76 0.72 0.98 0.00 0.00 173.24 175.61 1jri s PHE 43 N -2.53 -0.28 0.34 5.02 -0.71 -1.26 -1.64 117.98 116.93 1jri s PHE 43 Ca 0.10 -0.06 0.03 0.00 -1.04 0.00 0.00 56.93 55.96 1jri s PHE 43 Cb 0.00 0.64 -0.01 0.00 -1.21 0.00 0.00 43.02 42.44 1jri s PHE 43 CO -0.05 -0.99 0.10 -0.40 -1.34 0.00 0.00 175.22 172.54 1jri n ASP 44 N -0.42 1.53 -0.10 1.98 5.68 -1.00 -4.96 116.55 119.26 1jri n ASP 44 Ca -0.08 -2.76 0.05 0.00 -0.50 0.00 0.00 54.79 51.50 1jri n ASP 44 Cb 0.61 0.73 0.38 0.00 -1.14 0.00 0.00 41.12 41.71 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 0.58 0.00 -2.12 3.38 -2.03 0.05 115.31 115.17 1jri h LEU 45 Ca -0.27 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1jri h LEU 45 Cb 0.99 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1jri h LEU 45 CO 0.43 0.40 0.00 1.41 0.09 0.00 0.00 178.44 180.78 1jri n HIS 46 N -4.47 0.00 -2.03 1.13 8.25 -1.26 -4.87 115.22 111.97 1jri n HIS 46 Ca 0.07 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.38 1jri n HIS 46 Cb 0.14 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.23 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 -0.90 -1.15 -2.47 -0.41 2.81 0.00 -4.01 117.12 111.00 1jri n MET 47 Ca 0.16 0.81 -0.33 0.00 -1.81 0.00 0.00 57.70 56.54 1jri n MET 47 Cb 0.07 -5.08 -0.04 0.00 -0.71 0.00 0.00 33.22 27.46 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 -2.48 6.56 0.16 7.83 0.02 -1.26 -2.93 114.94 122.83 1jri s ASN 48 Ca 0.00 1.67 -0.21 0.00 -1.02 0.00 0.00 52.86 53.31 1jri s ASN 48 Cb 0.00 -2.53 0.06 0.00 0.02 0.00 0.00 41.25 38.80 1jri s ASN 48 CO 0.00 -0.63 0.54 -1.48 0.02 0.00 0.00 177.10 175.55 1jri s LEU 49 N -3.84 -0.24 -0.15 0.60 0.05 0.56 -2.36 118.68 113.31 1jri s LEU 49 Ca 0.61 -0.15 -0.01 0.00 0.05 0.00 0.00 54.13 54.63 1jri s LEU 49 Cb -0.11 2.36 -0.02 0.00 -2.05 0.00 0.00 46.19 46.37 1jri s LEU 49 CO 0.26 -0.96 -0.10 -0.69 -0.55 0.00 0.00 176.35 174.32 1jri s VAL 50 N -3.78 3.30 -0.06 1.48 1.01 -0.65 0.27 120.40 121.96 1jri s VAL 50 Ca 0.03 -0.57 0.05 0.00 0.00 0.00 0.00 61.98 61.49 1jri s VAL 50 Cb -0.00 -2.42 -0.01 0.00 0.00 0.00 0.00 36.38 33.94 1jri s VAL 50 CO -0.11 0.51 -0.22 -0.76 0.00 0.00 0.00 175.10 174.51 1jri s LEU 51 N 0.48 2.26 0.10 3.92 1.43 0.12 -0.80 118.68 126.20 1jri s LEU 51 Ca -0.07 -0.43 0.02 0.00 -1.03 0.00 0.00 54.13 52.61 1jri s LEU 51 Cb -0.15 -1.43 -0.04 0.00 0.03 0.00 0.00 46.19 44.60 1jri s LEU 51 CO 0.04 0.26 0.20 0.20 0.23 0.00 0.00 176.35 177.28 1jri s ASN 52 N -0.26 6.14 -1.55 2.29 -0.87 0.58 -0.14 114.94 121.13 1jri s ASN 52 Ca -0.00 0.16 -0.09 0.00 -1.57 0.00 0.00 52.86 51.36 1jri s ASN 52 Cb -0.13 -1.82 0.08 0.00 -0.02 0.00 0.00 41.25 39.35 1jri s ASN 52 CO 0.03 0.13 0.62 0.47 -2.57 0.00 0.00 177.10 175.78 1jri n ASP 53 N 0.02 -1.98 -4.89 -1.22 8.00 -0.88 -0.84 116.55 114.76 1jri n ASP 53 Ca -0.06 -0.99 -0.30 0.00 0.71 0.00 0.00 54.79 54.15 1jri n ASP 53 Cb 0.52 -2.99 0.04 0.00 -0.02 0.00 0.00 41.12 38.68 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 -3.62 2.94 -0.28 2.24 0.00 0.28 -4.46 121.76 118.86 1jri s ALA 54 Ca 0.38 -0.38 -0.23 0.00 0.00 0.00 0.00 51.96 51.72 1jri s ALA 54 Cb -0.20 -2.98 0.10 0.00 0.00 0.00 0.00 23.12 20.03 1jri s ALA 54 CO 0.90 -1.11 0.85 -1.83 0.00 0.00 0.00 175.76 174.57 1jri s GLU 55 N -5.32 0.67 0.46 0.00 -1.05 -0.36 -1.63 118.70 111.46 1jri s GLU 55 Ca 0.58 0.86 -0.20 0.00 -0.15 0.00 0.00 54.97 56.06 1jri s GLU 55 Cb -0.11 0.29 -0.10 0.00 -0.44 0.00 0.00 34.13 33.78 1jri s GLU 55 CO 0.51 -0.09 0.97 -1.21 0.95 0.00 0.00 175.26 176.39 1jri s GLU 56 N 0.56 4.09 0.05 -4.83 2.02 0.18 -2.40 118.70 118.36 1jri s GLU 56 Ca -0.01 1.11 0.02 0.00 0.02 0.00 0.00 54.97 56.12 1jri s GLU 56 Cb -0.05 -2.15 -0.03 0.00 0.10 0.00 0.00 34.13 32.00 1jri s GLU 56 CO -0.05 -0.16 -0.08 -0.51 0.02 0.00 0.00 175.26 174.48 1jri s LEU 57 N -3.46 2.27 -0.05 1.80 1.02 -0.14 -0.35 118.68 119.78 1jri s LEU 57 Ca 0.62 -0.58 -0.01 0.00 0.02 0.00 0.00 54.13 54.18 1jri s LEU 57 Cb -0.10 -0.17 0.03 0.00 0.02 0.00 0.00 46.19 45.97 1jri s LEU 57 CO 0.19 -0.22 0.04 -1.61 0.02 0.00 0.00 176.35 174.77 1jri s GLU 58 N -1.72 0.14 -1.54 1.70 2.02 -0.85 -3.50 118.70 114.95 1jri s GLU 58 Ca -0.08 0.26 0.00 0.00 0.02 0.00 0.00 54.97 55.17 1jri s GLU 58 Cb -0.09 -0.61 0.00 0.00 0.10 0.00 0.00 34.13 33.53 1jri s GLU 58 CO 0.00 -0.29 0.00 -0.25 0.02 0.00 0.00 175.26 174.74 1jri n ASP 59 N 5.07 -4.81 0.00 -0.19 10.43 -1.26 -1.39 116.55 124.40 1jri n ASP 59 Ca -0.08 0.18 0.00 0.00 2.57 0.00 0.00 54.79 57.46 1jri n ASP 59 Cb 0.50 -4.12 0.00 0.00 1.84 0.00 0.00 41.12 39.34 1jri n ASP 59 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1jri n GLY 60 N -0.74 0.73 2.89 0.44 0.00 -1.26 -5.06 105.19 102.18 1jri n GLY 60 Ca -0.19 -0.05 -0.25 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.52 1.23 0.22 1.61 2.56 -0.48 -5.11 118.70 118.20 1jri s GLU 61 Ca 0.00 -0.17 -0.29 0.00 0.00 0.00 0.00 54.97 54.51 1jri s GLU 61 Cb 0.00 -1.31 -0.16 0.00 2.00 0.00 0.00 34.13 34.66 1jri s GLU 61 CO 0.00 -0.21 0.84 0.28 -0.56 0.00 0.00 175.26 175.61 1jri n VAL 62 N 4.72 1.73 0.00 3.70 0.31 -1.26 -2.01 118.33 125.52 1jri n VAL 62 Ca -0.14 -0.43 0.00 0.00 -0.01 0.00 0.00 64.34 63.76 1jri n VAL 62 Cb 0.50 -0.52 0.00 0.00 -0.91 0.00 0.00 33.84 32.91 1jri n VAL 62 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1jri n THR 63 N 0.39 0.00 -3.65 2.52 -2.24 0.53 -4.84 114.28 106.99 1jri n THR 63 Ca 0.14 -0.19 -0.01 0.00 -2.27 0.00 0.00 64.05 61.72 1jri n THR 63 Cb 0.27 0.69 -0.06 0.00 -2.10 0.00 0.00 70.33 69.12 1jri n THR 63 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jri s ARG 64 N -1.21 0.24 -0.21 -0.78 1.70 -1.23 -4.95 118.95 112.51 1jri s ARG 64 Ca 0.00 0.39 -0.15 0.00 -0.47 0.00 0.00 55.73 55.50 1jri s ARG 64 Cb 0.00 0.06 -0.04 0.00 -0.57 0.00 0.00 34.95 34.40 1jri s ARG 64 CO 0.00 -0.05 0.38 1.03 -1.08 0.00 0.00 175.30 175.58 1jri s ARG 65 N 1.01 4.15 0.00 3.89 0.52 -1.26 0.48 118.95 127.74 1jri s ARG 65 Ca -0.06 0.16 0.06 0.00 -0.52 0.00 0.00 55.73 55.37 1jri s ARG 65 Cb -0.03 -3.55 0.15 0.00 0.52 0.00 0.00 34.95 32.04 1jri s ARG 65 CO -0.12 -0.06 1.03 1.28 0.02 0.00 0.00 175.30 177.45 1jri n LEU 66 N 4.55 2.28 0.00 2.53 4.77 -0.65 -4.97 117.00 125.52 1jri n LEU 66 Ca -0.09 -1.73 0.00 0.00 -0.03 0.00 0.00 56.01 54.16 1jri n LEU 66 Cb 0.51 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 1jri n LEU 66 CO 0.39 0.55 0.00 0.61 -1.33 0.00 0.00 177.39 177.62 1jri n GLY 67 N 0.17 3.72 3.73 -0.72 0.00 -1.10 -4.46 105.19 106.53 1jri n GLY 67 Ca 0.06 0.10 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 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 4.87 -0.03 2.61 2.01 -1.26 0.10 115.64 123.94 1jri s THR 68 Ca 0.00 1.66 -0.10 0.00 0.31 0.00 0.00 61.69 63.56 1jri s THR 68 Cb 0.00 -4.13 0.01 0.00 0.01 0.00 0.00 72.50 68.39 1jri s THR 68 CO 0.00 0.28 0.22 0.54 -0.69 0.00 0.00 174.62 174.97 1jri s VAL 69 N 0.48 0.05 -0.23 3.82 0.11 0.80 -4.97 120.40 120.46 1jri s VAL 69 Ca 0.41 -0.41 -0.07 0.00 -2.93 0.00 0.00 61.98 58.98 1jri s VAL 69 Cb -0.20 -0.46 -0.03 0.00 -1.53 0.00 0.00 36.38 34.17 1jri s VAL 69 CO 0.22 -0.23 0.05 -0.22 -3.33 0.00 0.00 175.10 171.60 1jri s LEU 70 N -0.90 3.44 -0.17 2.54 2.96 -1.26 0.16 118.68 125.45 1jri s LEU 70 Ca -0.10 -0.17 -0.04 0.00 -0.22 0.00 0.00 54.13 53.60 1jri s LEU 70 Cb -0.05 -1.91 -0.02 0.00 0.50 0.00 0.00 46.19 44.71 1jri s LEU 70 CO 0.02 0.01 -0.03 -0.63 -1.32 0.00 0.00 176.35 174.40 1jri s ILE 71 N 1.34 3.82 0.05 6.68 1.01 0.14 -4.93 121.20 129.31 1jri s ILE 71 Ca 0.05 -0.37 -0.30 0.00 0.00 0.00 0.00 60.65 60.02 1jri s ILE 71 Cb -0.15 -2.69 -0.05 0.00 0.01 0.00 0.00 42.46 39.58 1jri s ILE 71 CO 0.03 0.47 1.17 -0.13 0.00 0.00 0.00 174.94 176.48 1jri s ARG 72 N 0.62 4.45 0.52 2.79 0.52 -1.26 -0.32 118.95 126.26 1jri s ARG 72 Ca -0.02 1.72 0.19 0.00 -0.52 0.00 0.00 55.73 57.10 1jri s ARG 72 Cb -0.14 -3.37 1.30 0.00 0.52 0.00 0.00 34.95 33.25 1jri s ARG 72 CO 0.02 -0.23 2.08 0.78 0.02 0.00 0.00 175.30 177.97 1jri h GLY 73 N 6.85 0.05 0.02 -3.53 0.00 -1.66 -2.89 103.07 101.89 1jri h GLY 73 Ca -0.41 -0.02 0.26 0.00 0.00 0.00 0.00 47.33 47.17 1jri h GLY 73 CO 0.81 0.01 0.68 -1.80 0.00 0.00 0.00 176.54 176.24 1jri h ASP 74 N 0.04 0.24 0.25 0.19 -0.00 -1.86 0.20 116.42 115.48 1jri h ASP 74 Ca 0.12 0.04 0.00 0.00 -0.00 0.00 0.00 57.03 57.19 1jri h ASP 74 Cb 0.43 -0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.76 1jri h ASP 74 CO -0.01 0.07 -0.20 0.59 -0.00 0.00 0.00 179.24 179.69 1jri n ASN 75 N -4.42 0.92 -4.76 2.28 4.13 -1.09 -4.92 115.26 107.40 1jri n ASN 75 Ca 0.22 -0.86 -0.40 0.00 1.68 0.00 0.00 54.58 55.23 1jri n ASN 75 Cb 0.93 0.07 -0.06 0.00 -1.54 0.00 0.00 39.78 39.18 1jri n ASN 75 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1jri s ILE 76 N -2.46 4.15 -0.24 2.41 1.01 0.06 -0.33 121.20 125.80 1jri s ILE 76 Ca 0.27 1.98 -0.08 0.00 0.00 0.00 0.00 60.65 62.81 1jri s ILE 76 Cb 0.20 -4.26 -0.12 0.00 0.01 0.00 0.00 42.46 38.29 1jri s ILE 76 CO 0.49 0.47 -0.28 0.52 0.00 0.00 0.00 174.94 176.15 1jri n VAL 77 N 1.43 1.32 -3.84 2.92 0.31 0.93 -4.81 118.33 116.59 1jri n VAL 77 Ca -0.03 -0.38 -0.08 0.00 -0.01 0.00 0.00 64.34 63.84 1jri n VAL 77 Cb 0.48 -1.68 -0.03 0.00 -0.91 0.00 0.00 33.84 31.69 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 -0.05 -0.02 3.52 -0.85 -1.16 -5.03 117.35 111.31 1jri s TYR 78 Ca -0.33 -0.34 0.01 0.00 -0.52 0.00 0.00 57.07 55.89 1jri s TYR 78 Cb 0.12 0.49 0.02 0.00 0.38 0.00 0.00 41.96 42.96 1jri s TYR 78 CO 0.45 -1.07 -0.01 0.42 -1.52 0.00 0.00 175.55 173.82 1jri s ILE 79 N -3.92 0.18 0.33 -3.49 1.01 -1.26 -1.76 121.20 112.28 1jri s ILE 79 Ca 0.13 0.03 0.03 0.00 0.00 0.00 0.00 60.65 60.84 1jri s ILE 79 Cb -0.03 -0.24 -0.04 0.00 0.01 0.00 0.00 42.46 42.16 1jri s ILE 79 CO 0.04 0.12 0.12 -0.94 0.00 0.00 0.00 174.94 174.28 1jri s SER 80 N 0.71 2.00 0.37 3.58 1.04 -0.14 -4.97 113.70 116.29 1jri s SER 80 Ca -0.07 -1.53 -0.25 0.00 0.48 0.00 0.00 55.95 54.58 1jri s SER 80 Cb -0.10 0.30 -0.09 0.00 0.10 0.00 0.00 66.02 66.22 1jri s SER 80 CO -0.01 -0.82 1.01 -0.60 0.98 0.00 0.00 173.24 173.79 1jri s ARG 81 N -3.83 4.35 0.16 4.02 6.06 -1.26 -0.59 118.95 127.86 1jri s ARG 81 Ca 0.33 1.44 0.02 0.00 -2.50 0.00 0.00 55.73 55.02 1jri s ARG 81 Cb 0.05 -2.65 -0.01 0.00 0.06 0.00 0.00 34.95 32.41 1jri s ARG 81 CO 0.16 0.04 0.08 0.41 -2.50 0.00 0.00 175.30 173.49 1jri n GLY 82 N 0.40 3.66 3.08 8.12 0.00 0.55 -4.56 105.19 116.45 1jri n GLY 82 Ca 0.04 -1.91 -0.10 0.00 0.00 0.00 0.00 46.02 44.04 1jri n GLY 82 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jri s LYS 83 N -2.64 0.59 0.32 1.61 1.02 -1.26 -4.62 119.74 114.75 1jri s LYS 83 Ca 0.12 -1.01 -0.15 0.00 0.02 0.00 0.00 55.97 54.95 1jri s LYS 83 Cb 0.01 -0.05 -0.09 0.00 -0.52 0.00 0.00 37.83 37.18 1jri s LYS 83 CO 0.08 -0.03 0.73 -0.51 -0.92 0.00 0.00 175.35 174.70 1jri s LEU 84 N -2.32 4.06 0.00 3.17 1.43 -1.26 -5.01 118.68 118.76 1jri s LEU 84 Ca -0.01 1.26 0.30 0.00 -1.03 0.00 0.00 54.13 54.65 1jri s LEU 84 Cb -0.01 -4.07 1.43 0.00 0.03 0.00 0.00 46.19 43.57 1jri s LEU 84 CO -0.04 -0.20 1.96 0.00 0.23 0.00 0.00 176.35 178.29