#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pla s GLU 2 N 0.00 2.73 -0.26 0.00 8.01 -1.26 -1.35 118.70 126.57 1pla s GLU 2 Ca 0.00 -0.73 -0.07 0.00 0.01 0.00 0.00 54.97 54.17 1pla s GLU 2 Cb 0.00 -2.33 -0.02 0.00 -4.31 0.00 0.00 34.13 27.47 1pla s GLU 2 CO 0.00 -0.15 0.07 0.08 0.01 0.00 0.00 175.26 175.27 1pla s VAL 3 N 1.18 4.22 -0.30 2.63 1.01 -0.56 -4.52 120.40 124.06 1pla s VAL 3 Ca 0.00 -0.28 -0.19 0.00 0.00 0.00 0.00 61.98 61.52 1pla s VAL 3 Cb -0.14 -3.01 -0.01 0.00 0.00 0.00 0.00 36.38 33.22 1pla s VAL 3 CO -0.08 0.29 0.56 -0.54 0.00 0.00 0.00 175.10 175.34 1pla s LYS 4 N 1.59 3.89 -0.55 2.72 3.01 0.20 0.16 119.74 130.76 1pla s LYS 4 Ca 0.06 0.19 -0.26 0.00 -1.01 0.00 0.00 55.97 54.95 1pla s LYS 4 Cb -0.15 -3.72 0.04 0.00 -1.01 0.00 0.00 37.83 32.98 1pla s LYS 4 CO 0.03 -0.52 1.02 -0.51 0.51 0.00 0.00 175.35 175.88 1pla s LEU 5 N 2.46 3.89 0.00 3.17 1.43 0.94 -2.38 118.68 128.20 1pla s LEU 5 Ca 0.22 -0.16 0.00 0.00 -1.03 0.00 0.00 54.13 53.16 1pla s LEU 5 Cb -0.15 -2.97 0.00 0.00 0.03 0.00 0.00 46.19 43.09 1pla s LEU 5 CO 0.11 -1.29 0.00 0.61 0.23 0.00 0.00 176.35 176.02 1pla n GLY 6 N 5.08 0.54 3.53 -3.19 0.00 -1.08 -2.33 105.19 107.74 1pla n GLY 6 Ca 0.04 -0.68 -0.44 0.00 0.00 0.00 0.00 46.02 44.95 1pla n GLY 6 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1pla n SER 7 N 0.00 0.37 -0.36 1.61 3.41 -0.22 -4.01 113.62 114.42 1pla n SER 7 Ca 0.00 1.08 0.02 0.00 -0.26 0.00 0.00 58.87 59.71 1pla n SER 7 Cb 0.00 -1.21 0.09 0.00 -0.26 0.00 0.00 64.21 62.83 1pla n SER 7 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1pla n ASP 8 N 1.23 -0.49 0.00 4.04 8.00 -1.26 -3.40 116.55 124.66 1pla n ASP 8 Ca 0.11 1.69 0.00 0.00 0.71 0.00 0.00 54.79 57.31 1pla n ASP 8 Cb 0.34 -0.45 0.00 0.00 -0.02 0.00 0.00 41.12 40.99 1pla n ASP 8 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1pla n ASP 9 N -5.52 0.00 0.09 -2.24 5.75 -1.26 -4.85 116.55 108.52 1pla n ASP 9 Ca 0.13 -1.00 -0.21 0.00 -0.01 0.00 0.00 54.79 53.70 1pla n ASP 9 Cb 0.44 0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 40.41 1pla n ASP 9 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1pla h GLY 10 N 0.00 0.66 0.00 6.12 0.00 -1.92 -3.50 103.07 104.43 1pla h GLY 10 Ca 0.00 -1.36 0.00 0.00 0.00 0.00 0.00 47.33 45.97 1pla h GLY 10 CO 0.00 1.20 0.00 0.61 0.00 0.00 0.00 176.54 178.35 1pla n GLY 11 N 1.33 0.72 3.33 4.60 0.00 -1.25 -4.97 105.19 108.94 1pla n GLY 11 Ca -0.13 -1.64 -0.46 0.00 0.00 0.00 0.00 46.02 43.80 1pla n GLY 11 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pla s LEU 12 N 0.00 6.37 0.11 0.99 1.43 -1.26 -1.06 118.68 125.26 1pla s LEU 12 Ca 0.00 -2.22 -0.08 0.00 -1.03 0.00 0.00 54.13 50.80 1pla s LEU 12 Cb 0.00 -2.22 -0.01 0.00 0.03 0.00 0.00 46.19 43.99 1pla s LEU 12 CO 0.00 -0.74 0.20 0.68 0.23 0.00 0.00 176.35 176.72 1pla s VAL 13 N 1.01 0.13 -0.37 -1.59 -7.23 -1.26 -4.30 120.40 106.79 1pla s VAL 13 Ca 0.12 -1.27 -0.29 0.00 -1.81 0.00 0.00 61.98 58.74 1pla s VAL 13 Cb -0.19 -1.48 0.02 0.00 0.56 0.00 0.00 36.38 35.29 1pla s VAL 13 CO -0.03 -0.57 1.18 -0.36 -0.31 0.00 0.00 175.10 175.00 1pla s PHE 14 N -3.89 2.88 -0.31 2.82 0.08 -1.26 -2.62 117.98 115.68 1pla s PHE 14 Ca 0.08 0.94 0.00 0.00 0.12 0.00 0.00 56.93 58.07 1pla s PHE 14 Cb 0.05 -4.01 0.07 0.00 -0.57 0.00 0.00 43.02 38.56 1pla s PHE 14 CO -0.08 -1.24 0.00 -1.12 -0.10 0.00 0.00 175.22 172.68 1pla s SER 15 N 2.34 4.80 1.25 1.36 0.01 -1.00 -0.66 113.70 121.79 1pla s SER 15 Ca 0.50 -1.52 -0.19 0.00 1.31 0.00 0.00 55.95 56.05 1pla s SER 15 Cb -0.12 -1.67 0.30 0.00 0.21 0.00 0.00 66.02 64.75 1pla s SER 15 CO 0.23 -0.29 1.04 -2.16 0.41 0.00 0.00 173.24 172.47 1pla s PRO 16 N 1.15 -1.62 -0.24 12.44 0.05 -1.26 0.61 135.00 146.13 1pla s PRO 16 Ca -0.03 0.15 -0.15 0.00 0.05 0.00 0.00 61.00 61.02 1pla s PRO 16 Cb -0.20 -1.53 -0.16 0.00 0.05 0.00 0.00 34.50 32.66 1pla s PRO 16 CO -0.03 -4.02 -0.10 -1.13 0.05 0.00 0.00 177.00 171.77 1pla n SER 17 N -5.02 1.93 -3.91 6.66 3.41 0.17 -4.88 113.62 111.99 1pla n SER 17 Ca 0.11 0.33 -0.16 0.00 -0.26 0.00 0.00 58.87 58.90 1pla n SER 17 Cb 0.59 -0.85 -0.15 0.00 -0.26 0.00 0.00 64.21 63.54 1pla n SER 17 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1pla s SER 18 N -7.18 0.47 -0.21 4.04 0.15 -1.26 -2.22 113.70 107.48 1pla s SER 18 Ca -0.34 -0.06 -0.27 0.00 0.70 0.00 0.00 55.95 55.97 1pla s SER 18 Cb 0.11 -0.11 0.09 0.00 -1.71 0.00 0.00 66.02 64.40 1pla s SER 18 CO 0.55 0.01 0.83 0.72 1.20 0.00 0.00 173.24 176.55 1pla s PHE 19 N 0.22 -0.62 0.45 3.44 -0.71 -1.00 -5.00 117.98 114.75 1pla s PHE 19 Ca -0.02 1.37 -0.08 0.00 -1.04 0.00 0.00 56.93 57.16 1pla s PHE 19 Cb -0.05 0.35 -0.05 0.00 -1.21 0.00 0.00 43.02 42.06 1pla s PHE 19 CO -0.00 -0.39 0.79 0.95 -1.34 0.00 0.00 175.22 175.23 1pla s THR 20 N -0.23 4.84 -0.03 -4.49 -4.23 -1.26 -2.42 115.64 107.83 1pla s THR 20 Ca -0.02 0.43 -0.09 0.00 -1.18 0.00 0.00 61.69 60.83 1pla s THR 20 Cb -0.03 -3.80 0.01 0.00 1.34 0.00 0.00 72.50 70.02 1pla s THR 20 CO 0.01 -0.70 0.21 0.68 -0.54 0.00 0.00 174.62 174.28 1pla s VAL 21 N -2.58 0.05 0.41 2.29 -7.23 -0.57 -4.85 120.40 107.92 1pla s VAL 21 Ca 0.50 -0.42 -0.27 0.00 -1.81 0.00 0.00 61.98 59.98 1pla s VAL 21 Cb -0.10 -0.45 -0.09 0.00 0.56 0.00 0.00 36.38 36.30 1pla s VAL 21 CO 0.39 -0.23 1.43 0.00 -0.31 0.00 0.00 175.10 176.37 1pla s ALA 22 N -0.91 3.38 -0.73 1.32 0.00 -1.26 -1.57 121.76 121.99 1pla s ALA 22 Ca -0.10 1.47 -0.25 0.00 0.00 0.00 0.00 51.96 53.08 1pla s ALA 22 Cb -0.05 -3.58 -0.21 0.00 0.00 0.00 0.00 23.12 19.27 1pla s ALA 22 CO 0.02 -1.07 1.87 0.00 0.00 0.00 0.00 175.76 176.58 1pla n ALA 23 N 0.14 1.75 0.00 0.00 0.00 -0.58 -1.84 120.51 119.97 1pla n ALA 23 Ca 0.03 -2.89 0.00 0.00 0.00 0.00 0.00 53.44 50.58 1pla n ALA 23 Cb 0.41 -3.58 0.00 0.00 0.00 0.00 0.00 19.45 16.28 1pla n ALA 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pla n GLY 24 N 5.24 -0.03 3.86 0.00 0.00 -1.26 -4.93 105.19 108.07 1pla n GLY 24 Ca 0.46 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.24 1pla n GLY 24 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1pla s GLU 25 N 0.00 3.11 0.02 1.61 2.12 -0.77 -5.10 118.70 119.69 1pla s GLU 25 Ca 0.00 -0.85 -0.12 0.00 0.36 0.00 0.00 54.97 54.37 1pla s GLU 25 Cb 0.00 -2.73 -0.06 0.00 0.26 0.00 0.00 34.13 31.61 1pla s GLU 25 CO 0.00 0.46 0.38 0.15 -0.54 0.00 0.00 175.26 175.71 1pla s LYS 26 N -3.47 3.80 -0.11 4.30 1.02 -1.26 -4.47 119.74 119.55 1pla s LYS 26 Ca 0.33 0.26 0.02 0.00 0.02 0.00 0.00 55.97 56.59 1pla s LYS 26 Cb -0.09 -3.13 0.01 0.00 -0.52 0.00 0.00 37.83 34.10 1pla s LYS 26 CO 0.26 0.65 -0.16 0.42 -0.92 0.00 0.00 175.35 175.60 1pla s ILE 27 N -1.20 1.54 -0.11 2.17 1.01 -0.81 -1.66 121.20 122.15 1pla s ILE 27 Ca 0.27 -0.67 0.04 0.00 0.00 0.00 0.00 60.65 60.28 1pla s ILE 27 Cb -0.15 -1.41 0.00 0.00 0.01 0.00 0.00 42.46 40.91 1pla s ILE 27 CO 0.14 0.45 -0.23 0.42 0.00 0.00 0.00 174.94 175.72 1pla s THR 28 N 0.96 2.11 -0.10 2.92 -4.23 -0.46 -0.98 115.64 115.87 1pla s THR 28 Ca -0.07 -1.00 -0.18 0.00 -1.18 0.00 0.00 61.69 59.26 1pla s THR 28 Cb -0.15 -1.81 -0.04 0.00 1.34 0.00 0.00 72.50 71.83 1pla s THR 28 CO -0.01 0.56 0.48 -0.36 -0.54 0.00 0.00 174.62 174.74 1pla s PHE 29 N 0.40 3.55 -0.09 3.99 0.08 -0.91 -1.49 117.98 123.51 1pla s PHE 29 Ca -0.17 0.93 0.04 0.00 0.12 0.00 0.00 56.93 57.85 1pla s PHE 29 Cb -0.18 -2.53 -0.00 0.00 -0.57 0.00 0.00 43.02 39.74 1pla s PHE 29 CO 0.07 0.23 -0.23 0.21 -0.10 0.00 0.00 175.22 175.41 1pla s LYS 30 N 0.38 2.81 -0.78 0.44 2.47 0.12 -1.24 119.74 123.94 1pla s LYS 30 Ca 0.26 -0.84 -0.20 0.00 -1.56 0.00 0.00 55.97 53.64 1pla s LYS 30 Cb -0.16 -2.18 0.11 0.00 -1.46 0.00 0.00 37.83 34.15 1pla s LYS 30 CO 0.11 0.20 0.98 -0.80 0.16 0.00 0.00 175.35 176.00 1pla s ASN 31 N 0.28 6.43 0.10 1.43 0.01 -1.03 -0.04 114.94 122.11 1pla s ASN 31 Ca -0.16 -1.68 0.20 0.00 -0.71 0.00 0.00 52.86 50.51 1pla s ASN 31 Cb -0.17 -2.37 -0.10 0.00 0.41 0.00 0.00 41.25 39.01 1pla s ASN 31 CO 0.07 -1.15 0.85 -0.46 -1.51 0.00 0.00 177.10 174.91 1pla n ASN 32 N 6.67 0.76 -3.61 -1.22 6.94 -1.20 -2.77 115.26 120.82 1pla n ASN 32 Ca 0.09 0.31 -0.02 0.00 -0.02 0.00 0.00 54.58 54.95 1pla n ASN 32 Cb 0.47 0.45 -0.02 0.00 -2.36 0.00 0.00 39.78 38.32 1pla n ASN 32 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1pla s ALA 33 N -3.13 -2.19 0.00 -2.53 0.00 -0.98 -4.94 121.76 107.99 1pla s ALA 33 Ca -0.03 1.55 0.00 0.00 0.00 0.00 0.00 51.96 53.48 1pla s ALA 33 Cb 0.09 -0.13 0.00 0.00 0.00 0.00 0.00 23.12 23.08 1pla s ALA 33 CO 0.81 -0.68 0.00 0.41 0.00 0.00 0.00 175.76 176.30 1pla n GLY 34 N -0.15 0.58 3.70 0.00 0.00 -1.26 -3.68 105.19 104.38 1pla n GLY 34 Ca 0.00 -0.22 -0.31 0.00 0.00 0.00 0.00 46.02 45.49 1pla n GLY 34 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1pla s PHE 35 N -2.00 1.89 0.38 1.61 -0.71 -1.26 -4.44 117.98 113.45 1pla s PHE 35 Ca 0.00 1.73 -0.24 0.00 -1.04 0.00 0.00 56.93 57.38 1pla s PHE 35 Cb 0.00 -3.26 -0.10 0.00 -1.21 0.00 0.00 43.02 38.44 1pla s PHE 35 CO 0.00 -2.53 0.96 -1.25 -1.34 0.00 0.00 175.22 171.07 1pla s PRO 36 N -4.71 4.35 0.30 1.99 0.04 -1.26 -5.06 135.00 130.65 1pla s PRO 36 Ca 0.65 1.27 0.02 0.00 0.04 0.00 0.00 61.00 62.99 1pla s PRO 36 Cb -0.21 -2.49 0.02 0.00 0.04 0.00 0.00 34.50 31.86 1pla s PRO 36 CO 0.57 0.07 0.20 0.72 0.04 0.00 0.00 177.00 178.60 1pla n HIS 37 N -0.07 -0.76 -3.57 0.56 8.25 -0.88 -4.91 115.22 113.85 1pla n HIS 37 Ca 0.05 -1.32 -0.16 0.00 -0.26 0.00 0.00 57.72 56.03 1pla n HIS 37 Cb 0.52 -0.24 -0.06 0.00 1.12 0.00 0.00 29.99 31.32 1pla n HIS 37 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1pla s ASN 38 N -2.77 -0.67 -0.23 0.41 3.04 -1.26 -3.24 114.94 110.22 1pla s ASN 38 Ca 0.15 0.98 -0.02 0.00 0.04 0.00 0.00 52.86 54.00 1pla s ASN 38 Cb -0.01 0.88 0.07 0.00 -1.54 0.00 0.00 41.25 40.65 1pla s ASN 38 CO 0.09 -0.45 0.05 -0.63 -3.04 0.00 0.00 177.10 173.12 1pla s ILE 39 N -0.57 0.58 0.02 -5.21 1.09 -1.26 -3.78 121.20 112.07 1pla s ILE 39 Ca -0.06 -0.76 0.03 0.00 -1.10 0.00 0.00 60.65 58.75 1pla s ILE 39 Cb -0.02 -1.18 -0.01 0.00 -1.06 0.00 0.00 42.46 40.18 1pla s ILE 39 CO 0.06 -0.34 -0.09 -0.69 -0.10 0.00 0.00 174.94 173.77 1pla s VAL 40 N 1.81 0.73 -0.30 2.92 1.01 -1.07 0.57 120.40 126.07 1pla s VAL 40 Ca 0.02 -0.71 -0.14 0.00 0.00 0.00 0.00 61.98 61.15 1pla s VAL 40 Cb -0.17 -0.67 -0.03 0.00 0.00 0.00 0.00 36.38 35.51 1pla s VAL 40 CO -0.13 -0.02 0.32 -0.36 0.00 0.00 0.00 175.10 174.91 1pla s PHE 41 N -0.67 3.23 -0.19 5.22 0.40 -1.26 -2.21 117.98 122.49 1pla s PHE 41 Ca -0.01 0.17 -0.36 0.00 -0.60 0.00 0.00 56.93 56.13 1pla s PHE 41 Cb -0.06 -2.55 -0.13 0.00 0.51 0.00 0.00 43.02 40.79 1pla s PHE 41 CO 0.00 -0.29 1.89 -3.47 0.70 0.00 0.00 175.22 174.05 1pla n ASP 42 N 5.27 2.93 -1.99 1.36 2.03 -0.62 -4.77 116.55 120.75 1pla n ASP 42 Ca -0.10 0.92 -0.08 0.00 0.52 0.00 0.00 54.79 56.05 1pla n ASP 42 Cb 0.51 -1.28 -0.11 0.00 -0.72 0.00 0.00 41.12 39.51 1pla n ASP 42 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 1pla n GLU 43 N 6.50 1.44 0.00 -0.67 0.28 -1.26 -2.62 120.64 124.31 1pla n GLU 43 Ca 0.27 -0.64 0.00 0.00 -0.16 0.00 0.00 57.16 56.63 1pla n GLU 43 Cb 0.23 -1.74 0.00 0.00 1.43 0.00 0.00 31.44 31.37 1pla n GLU 43 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1pla n ASP 44 N 2.39 0.00 -0.62 -1.84 8.00 -1.26 -4.87 116.55 118.35 1pla n ASP 44 Ca 0.27 -1.00 0.00 0.00 0.71 0.00 0.00 54.79 54.78 1pla n ASP 44 Cb 0.67 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.77 1pla n ASP 44 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1pla n GLU 45 N 0.00 0.00 -4.07 -1.24 1.02 -1.08 -5.10 120.64 110.18 1pla n GLU 45 Ca 0.00 -0.91 -0.31 0.00 -0.02 0.00 0.00 57.16 55.92 1pla n GLU 45 Cb 0.32 -0.32 -0.07 0.00 -0.02 0.00 0.00 31.44 31.35 1pla n GLU 45 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1pla s VAL 46 N 0.00 4.63 0.38 2.62 1.01 -1.25 -4.10 120.40 123.68 1pla s VAL 46 Ca 0.04 -0.61 -0.25 0.00 0.00 0.00 0.00 61.98 61.16 1pla s VAL 46 Cb 0.04 -3.19 -0.12 0.00 0.00 0.00 0.00 36.38 33.11 1pla s VAL 46 CO -0.02 0.22 0.86 -2.65 0.00 0.00 0.00 175.10 173.51 1pla n PRO 47 N 0.75 1.07 -1.45 2.72 -0.02 -1.26 -4.78 135.00 132.03 1pla n PRO 47 Ca -0.10 0.38 -0.42 0.00 -2.02 0.00 0.00 63.50 61.34 1pla n PRO 47 Cb 0.52 -1.79 -0.02 0.00 -0.02 0.00 0.00 33.50 32.18 1pla n PRO 47 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1pla n ALA 48 N -0.39 4.68 0.00 3.55 0.00 -1.26 -3.17 120.51 123.92 1pla n ALA 48 Ca 0.10 -3.58 0.00 0.00 0.00 0.00 0.00 53.44 49.96 1pla n ALA 48 Cb 0.37 -3.56 0.00 0.00 0.00 0.00 0.00 19.45 16.26 1pla n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pla n GLY 49 N 4.25 0.13 3.55 0.00 0.00 -1.26 -5.07 105.19 106.79 1pla n GLY 49 Ca 0.52 -0.02 -0.40 0.00 0.00 0.00 0.00 46.02 46.12 1pla n GLY 49 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pla s VAL 50 N 0.00 3.71 0.24 1.61 1.01 -1.19 -4.96 120.40 120.82 1pla s VAL 50 Ca 0.00 0.09 -0.28 0.00 0.00 0.00 0.00 61.98 61.79 1pla s VAL 50 Cb 0.00 -4.81 -0.16 0.00 0.00 0.00 0.00 36.38 31.42 1pla s VAL 50 CO 0.00 -1.73 0.77 0.59 0.00 0.00 0.00 175.10 174.72 1pla n ASN 51 N 9.83 -0.01 -0.79 3.32 4.13 -1.26 -4.77 115.26 125.71 1pla n ASN 51 Ca 0.13 1.15 0.12 0.00 1.68 0.00 0.00 54.58 57.66 1pla n ASN 51 Cb 0.50 -1.11 0.30 0.00 -1.54 0.00 0.00 39.78 37.93 1pla n ASN 51 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1pla n ALA 52 N 0.17 2.49 0.01 5.41 0.00 -1.26 -4.09 120.51 123.24 1pla n ALA 52 Ca 0.14 -0.67 -0.13 0.00 0.00 0.00 0.00 53.44 52.78 1pla n ALA 52 Cb 0.28 -0.98 -0.14 0.00 0.00 0.00 0.00 19.45 18.61 1pla n ALA 52 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1pla h GLU 53 N 3.42 0.11 0.01 0.00 5.08 -1.93 -2.92 114.58 118.35 1pla h GLU 53 Ca 0.00 -0.19 -0.20 0.00 -1.00 0.00 0.00 59.36 57.98 1pla h GLU 53 Cb 0.74 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 1pla h GLU 53 CO 0.00 0.83 -0.88 0.87 -1.00 0.00 0.00 179.01 178.82 1pla h LYS 54 N 0.03 0.15 0.00 2.33 1.79 -1.97 -3.26 116.57 115.65 1pla h LYS 54 Ca -0.27 -0.17 0.00 0.00 -2.18 0.00 0.00 60.65 58.03 1pla h LYS 54 Cb 1.99 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 32.69 1pla h LYS 54 CO 0.11 0.94 -0.86 0.44 -1.08 0.00 0.00 179.45 179.00 1pla n ILE 55 N -3.62 0.36 -1.90 1.86 -5.35 -1.26 -4.91 119.36 104.53 1pla n ILE 55 Ca -0.03 -0.33 -0.29 0.00 -0.27 0.00 0.00 62.75 61.83 1pla n ILE 55 Cb 0.82 -0.08 0.10 0.00 -1.74 0.00 0.00 39.64 38.74 1pla n ILE 55 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 1pla s SER 56 N -4.41 4.37 -0.47 7.28 0.01 -1.10 -4.86 113.70 114.52 1pla s SER 56 Ca 0.04 0.73 0.06 0.00 1.31 0.00 0.00 55.95 58.09 1pla s SER 56 Cb 0.13 -1.18 0.22 0.00 0.21 0.00 0.00 66.02 65.40 1pla s SER 56 CO 0.76 -1.99 0.51 0.00 0.41 0.00 0.00 173.24 172.94 1pla n GLN 57 N -3.36 1.00 0.00 12.44 6.02 0.19 -4.93 117.38 128.74 1pla n GLN 57 Ca 0.09 -3.58 0.01 0.00 -0.01 0.00 0.00 57.00 53.51 1pla n GLN 57 Cb 0.61 -1.61 0.05 0.00 1.02 0.00 0.00 30.24 30.32 1pla n GLN 57 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 1pla n PRO 58 N 1.72 0.04 -3.31 -1.09 -0.02 -1.26 -4.27 135.00 126.81 1pla n PRO 58 Ca 0.25 0.20 -0.46 0.00 -2.02 0.00 0.00 63.50 61.47 1pla n PRO 58 Cb 0.48 -1.50 -0.05 0.00 -0.02 0.00 0.00 33.50 32.41 1pla n PRO 58 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1pla s GLU 59 N -2.43 2.99 1.02 -0.52 2.02 -1.26 -5.06 118.70 115.47 1pla s GLU 59 Ca 0.02 -1.65 -0.21 0.00 0.02 0.00 0.00 54.97 53.15 1pla s GLU 59 Cb 0.01 -4.28 -0.03 0.00 0.10 0.00 0.00 34.13 29.94 1pla s GLU 59 CO 0.03 -1.30 -0.66 0.66 0.02 0.00 0.00 175.26 174.01 1pla n TYR 60 N 5.27 -1.44 -3.69 1.61 4.02 -1.26 -4.96 117.16 116.71 1pla n TYR 60 Ca -0.14 0.39 -0.11 0.00 -0.01 0.00 0.00 57.90 58.03 1pla n TYR 60 Cb 0.41 -1.45 -0.12 0.00 -0.02 0.00 0.00 39.34 38.16 1pla n TYR 60 CO 0.00 0.00 0.00 -0.48 -1.01 0.00 0.00 176.86 175.37 1pla s LEU 61 N 3.49 -0.08 -0.23 7.72 0.05 -1.20 -5.03 118.68 123.40 1pla s LEU 61 Ca 0.42 0.75 0.10 0.00 0.05 0.00 0.00 54.13 55.45 1pla s LEU 61 Cb -0.00 1.06 0.44 0.00 -2.05 0.00 0.00 46.19 45.63 1pla s LEU 61 CO 0.59 -0.20 1.21 0.59 -0.55 0.00 0.00 176.35 177.98 1pla n ASN 62 N 4.64 2.80 -4.94 1.48 3.02 -1.26 -2.08 115.26 118.93 1pla n ASN 62 Ca -0.18 -3.77 -0.25 0.00 -0.03 0.00 0.00 54.58 50.35 1pla n ASN 62 Cb 0.53 -0.46 0.05 0.00 -0.61 0.00 0.00 39.78 39.29 1pla n ASN 62 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1pla s GLY 63 N -3.34 1.69 -0.33 7.41 0.00 -1.26 -4.90 107.32 106.59 1pla s GLY 63 Ca 0.42 -0.96 0.03 0.00 0.00 0.00 0.00 44.72 44.21 1pla s GLY 63 CO -0.03 -0.63 0.04 0.00 0.00 0.00 0.00 173.10 172.47 1pla s ALA 64 N -3.02 2.67 0.00 3.20 0.00 -1.26 -4.59 121.76 118.76 1pla s ALA 64 Ca 0.57 -2.32 0.00 0.00 0.00 0.00 0.00 51.96 50.21 1pla s ALA 64 Cb -0.11 -1.88 0.00 0.00 0.00 0.00 0.00 23.12 21.14 1pla s ALA 64 CO 0.43 -1.62 0.00 0.41 0.00 0.00 0.00 175.76 174.97 1pla n GLY 65 N 4.35 0.23 3.78 0.00 0.00 -1.11 -5.07 105.19 107.37 1pla n GLY 65 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 1pla n GLY 65 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pla s GLU 66 N -0.90 2.68 0.25 1.61 0.41 -1.26 -4.74 118.70 116.75 1pla s GLU 66 Ca 0.00 1.22 0.00 0.00 -0.41 0.00 0.00 54.97 55.78 1pla s GLU 66 Cb 0.00 -1.95 -0.03 0.00 -1.78 0.00 0.00 34.13 30.37 1pla s GLU 66 CO 0.00 -1.32 0.23 0.95 -0.49 0.00 0.00 175.26 174.63 1pla s THR 67 N -2.67 0.00 0.37 3.63 -4.23 -1.26 -2.47 115.64 109.01 1pla s THR 67 Ca 0.63 -1.92 0.05 0.00 -1.18 0.00 0.00 61.69 59.28 1pla s THR 67 Cb -0.18 -2.49 -0.03 0.00 1.34 0.00 0.00 72.50 71.15 1pla s THR 67 CO 0.48 0.00 0.19 -0.47 -0.54 0.00 0.00 174.62 174.28 1pla s TYR 68 N -3.86 1.74 -0.01 3.99 5.04 -0.37 -4.94 117.35 118.94 1pla s TYR 68 Ca 0.37 -1.45 -0.09 0.00 -2.44 0.00 0.00 57.07 53.46 1pla s TYR 68 Cb 0.04 -0.94 0.01 0.00 0.35 0.00 0.00 41.96 41.42 1pla s TYR 68 CO 0.17 -0.56 0.18 -1.21 -1.34 0.00 0.00 175.55 172.79 1pla s GLU 69 N -3.62 0.51 -0.26 4.97 2.02 -1.26 -2.14 118.70 118.92 1pla s GLU 69 Ca 0.31 -0.31 -0.19 0.00 0.02 0.00 0.00 54.97 54.81 1pla s GLU 69 Cb 0.03 0.22 0.07 0.00 0.10 0.00 0.00 34.13 34.55 1pla s GLU 69 CO 0.20 -0.13 0.67 0.54 0.02 0.00 0.00 175.26 176.56 1pla s VAL 70 N -1.28 -0.00 -0.39 2.63 0.11 -0.15 -5.00 120.40 116.31 1pla s VAL 70 Ca -0.14 0.01 0.03 0.00 -2.93 0.00 0.00 61.98 58.95 1pla s VAL 70 Cb -0.07 -0.95 0.11 0.00 -1.53 0.00 0.00 36.38 33.94 1pla s VAL 70 CO 0.02 0.00 0.13 -0.89 -3.33 0.00 0.00 175.10 171.03 1pla s THR 71 N 1.13 2.09 0.60 5.04 2.01 -1.26 -1.91 115.64 123.33 1pla s THR 71 Ca -0.06 -2.51 -0.12 0.00 0.31 0.00 0.00 61.69 59.31 1pla s THR 71 Cb -0.05 -2.51 -0.05 0.00 0.01 0.00 0.00 72.50 69.90 1pla s THR 71 CO -0.11 -0.69 1.02 -0.76 -0.69 0.00 0.00 174.62 173.38 1pla s LEU 72 N 0.62 3.32 -0.35 4.42 1.43 -1.26 -5.01 118.68 121.85 1pla s LEU 72 Ca 0.13 1.47 0.14 0.00 -1.03 0.00 0.00 54.13 54.84 1pla s LEU 72 Cb -0.21 -4.48 0.43 0.00 0.03 0.00 0.00 46.19 41.96 1pla s LEU 72 CO -0.07 -0.83 1.23 0.41 0.23 0.00 0.00 176.35 177.31 1pla n THR 73 N -2.48 0.48 -3.45 5.49 -1.04 -1.26 -4.03 114.28 107.98 1pla n THR 73 Ca 0.06 -2.10 -0.17 0.00 -2.04 0.00 0.00 64.05 59.79 1pla n THR 73 Cb 0.54 0.93 -0.12 0.00 -1.82 0.00 0.00 70.33 69.87 1pla n THR 73 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 1pla s GLU 74 N -1.40 0.24 -0.43 -2.82 2.56 -1.26 -5.00 118.70 110.60 1pla s GLU 74 Ca 0.22 0.13 -0.43 0.00 0.00 0.00 0.00 54.97 54.89 1pla s GLU 74 Cb 0.42 -0.99 -0.18 0.00 2.00 0.00 0.00 34.13 35.38 1pla s GLU 74 CO -0.05 -0.76 1.84 0.36 -0.56 0.00 0.00 175.26 176.10 1pla n LYS 75 N 5.32 0.43 -0.43 4.30 0.00 -1.26 -4.68 118.16 121.84 1pla n LYS 75 Ca -0.04 0.15 0.00 0.00 -0.00 0.00 0.00 58.31 58.41 1pla n LYS 75 Cb 0.49 -1.77 0.00 0.00 -0.00 0.00 0.00 35.03 33.75 1pla n LYS 75 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1pla n GLY 76 N 5.24 -0.63 2.87 2.58 0.00 -0.94 -4.95 105.19 109.36 1pla n GLY 76 Ca 0.37 -0.57 -0.18 0.00 0.00 0.00 0.00 46.02 45.64 1pla n GLY 76 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1pla s THR 77 N -3.88 0.35 -0.18 2.61 -4.23 -1.26 -1.79 115.64 107.27 1pla s THR 77 Ca 0.00 -0.04 0.00 0.00 -1.18 0.00 0.00 61.69 60.47 1pla s THR 77 Cb 0.00 -0.40 0.01 0.00 1.34 0.00 0.00 72.50 73.45 1pla s THR 77 CO 0.00 0.17 -0.17 -0.31 -0.54 0.00 0.00 174.62 173.77 1pla s TYR 78 N 0.82 2.79 -0.22 3.99 1.51 -1.02 -4.25 117.35 120.96 1pla s TYR 78 Ca -0.09 -1.40 -0.10 0.00 -1.01 0.00 0.00 57.07 54.46 1pla s TYR 78 Cb -0.13 -1.93 -0.05 0.00 -0.11 0.00 0.00 41.96 39.75 1pla s TYR 78 CO -0.01 -0.69 0.14 0.15 -1.11 0.00 0.00 175.55 174.04 1pla s LYS 79 N 1.18 4.12 0.22 -0.62 -0.14 -1.26 -2.45 119.74 120.78 1pla s LYS 79 Ca 0.02 -0.25 0.00 0.00 -1.36 0.00 0.00 55.97 54.38 1pla s LYS 79 Cb -0.14 -3.47 -0.04 0.00 -1.68 0.00 0.00 37.83 32.50 1pla s LYS 79 CO -0.08 0.18 0.15 -0.59 -0.76 0.00 0.00 175.35 174.25 1pla s PHE 80 N 0.71 1.26 0.08 3.18 -0.71 -0.18 -1.59 117.98 120.73 1pla s PHE 80 Ca 0.08 -1.42 -0.13 0.00 -1.04 0.00 0.00 56.93 54.41 1pla s PHE 80 Cb -0.12 -0.59 0.05 0.00 -1.21 0.00 0.00 43.02 41.14 1pla s PHE 80 CO 0.01 -0.67 0.63 2.48 -1.34 0.00 0.00 175.22 176.33 1pla n TYR 81 N -0.33 -0.85 -3.92 3.49 4.11 -0.94 0.93 117.16 119.65 1pla n TYR 81 Ca 0.03 -0.66 -0.36 0.00 -0.00 0.00 0.00 57.90 56.91 1pla n TYR 81 Cb 0.65 0.32 -0.12 0.00 -0.00 0.00 0.00 39.34 40.19 1pla n TYR 81 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1pla h GLU 83 N 7.72 0.57 -0.09 0.00 4.22 -1.92 -1.44 114.58 123.64 1pla h GLU 83 Ca -0.37 -0.12 -0.02 0.00 0.08 0.00 0.00 59.36 58.93 1pla h GLU 83 Cb 1.18 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.34 1pla h GLU 83 CO 0.61 0.59 -0.01 -1.00 -2.18 0.00 0.00 179.01 177.01 1pla h PRO 84 N 0.44 0.17 -0.83 0.92 0.14 -1.93 -3.03 132.00 127.88 1pla h PRO 84 Ca 0.12 -0.06 -0.10 0.00 0.14 0.00 0.00 66.00 66.10 1pla h PRO 84 Cb 0.26 -0.01 -0.06 0.00 0.14 0.00 0.00 31.00 31.33 1pla h PRO 84 CO -0.00 0.47 0.12 0.72 0.14 0.00 0.00 178.00 179.45 1pla n HIS 85 N -4.80 1.41 0.99 1.56 8.25 -1.23 -4.33 115.22 117.08 1pla n HIS 85 Ca -0.06 -0.70 0.00 0.00 -0.26 0.00 0.00 57.72 56.69 1pla n HIS 85 Cb 0.22 -0.45 0.00 0.00 1.12 0.00 0.00 29.99 30.88 1pla n HIS 85 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1pla n ALA 86 N 0.10 2.01 0.10 -1.41 0.00 -0.54 -2.16 120.51 118.61 1pla n ALA 86 Ca 0.22 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.73 1pla n ALA 86 Cb 0.93 -1.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.28 1pla n ALA 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pla n GLY 87 N 0.10 -0.58 0.04 0.00 0.00 -1.26 -4.45 105.19 99.03 1pla n GLY 87 Ca 0.00 -0.34 0.11 0.00 0.00 0.00 0.00 46.02 45.79 1pla n GLY 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pla n ALA 88 N -1.88 3.25 0.00 4.61 0.00 -0.92 -4.95 120.51 120.63 1pla n ALA 88 Ca -0.02 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.01 1pla n ALA 88 Cb 0.34 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.86 1pla n ALA 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pla n GLY 89 N 1.33 1.36 3.56 0.00 0.00 -1.24 -5.03 105.19 105.18 1pla n GLY 89 Ca 0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.75 1pla n GLY 89 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1pla s MET 90 N -0.13 2.58 0.31 1.61 0.00 -1.21 -4.88 119.30 117.57 1pla s MET 90 Ca 0.00 -0.24 0.10 0.00 0.00 0.00 0.00 55.69 55.56 1pla s MET 90 Cb 0.00 -5.02 -0.05 0.00 0.00 0.00 0.00 34.83 29.76 1pla s MET 90 CO 0.00 -3.30 -0.11 0.21 0.00 0.00 0.00 175.02 171.82 1pla s LYS 91 N 6.97 1.87 0.02 4.11 2.20 -1.26 -2.62 119.74 131.02 1pla s LYS 91 Ca 0.69 -1.76 -0.03 0.00 -0.36 0.00 0.00 55.97 54.51 1pla s LYS 91 Cb -0.07 -1.83 -0.01 0.00 -1.51 0.00 0.00 37.83 34.40 1pla s LYS 91 CO 0.01 0.25 0.03 0.20 -0.36 0.00 0.00 175.35 175.48 1pla s GLY 92 N -3.59 0.19 -0.13 5.54 0.00 0.26 -4.32 107.32 105.27 1pla s GLY 92 Ca 0.32 -0.49 -0.25 0.00 0.00 0.00 0.00 44.72 44.30 1pla s GLY 92 CO 0.17 -0.59 0.61 1.85 0.00 0.00 0.00 173.10 175.14 1pla s GLU 93 N -1.68 0.86 -0.04 2.90 2.12 -0.94 -1.01 118.70 120.90 1pla s GLU 93 Ca -0.13 0.49 -0.01 0.00 0.36 0.00 0.00 54.97 55.67 1pla s GLU 93 Cb -0.08 0.41 0.03 0.00 0.26 0.00 0.00 34.13 34.75 1pla s GLU 93 CO -0.01 -0.20 0.03 0.54 -0.54 0.00 0.00 175.26 175.08 1pla s VAL 94 N -0.51 0.06 -0.50 3.70 0.11 -1.03 -2.39 120.40 119.85 1pla s VAL 94 Ca -0.06 0.27 -0.16 0.00 -2.93 0.00 0.00 61.98 59.10 1pla s VAL 94 Cb -0.03 -0.25 0.09 0.00 -1.53 0.00 0.00 36.38 34.66 1pla s VAL 94 CO 0.05 0.18 0.45 -0.89 -3.33 0.00 0.00 175.10 171.56 1pla s THR 95 N 1.78 5.20 0.29 5.04 2.01 -1.01 -2.44 115.64 126.50 1pla s THR 95 Ca 0.00 -1.19 -0.27 0.00 0.31 0.00 0.00 61.69 60.54 1pla s THR 95 Cb -0.12 -4.22 -0.10 0.00 0.01 0.00 0.00 72.50 68.07 1pla s THR 95 CO -0.03 -0.71 0.94 -0.69 -0.69 0.00 0.00 174.62 173.44 1pla s VAL 96 N 1.70 4.16 -0.88 3.82 1.01 -0.74 -1.52 120.40 127.96 1pla s VAL 96 Ca 0.04 1.91 0.07 0.00 0.00 0.00 0.00 61.98 64.01 1pla s VAL 96 Cb -0.26 -4.12 0.06 0.00 0.00 0.00 0.00 36.38 32.06 1pla s VAL 96 CO 0.06 0.27 0.72 0.59 0.00 0.00 0.00 175.10 176.74