#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 0.68 -0.11 0.00 2.02 -1.26 -2.03 118.70 118.00 1pla s GLU 2 Ca 0.00 -0.02 0.02 0.00 0.02 0.00 0.00 54.97 54.98 1pla s GLU 2 Cb 0.00 -0.80 -0.01 0.00 0.10 0.00 0.00 34.13 33.41 1pla s GLU 2 CO 0.00 -0.14 -0.16 0.08 0.02 0.00 0.00 175.26 175.05 1pla s VAL 3 N 1.18 2.78 -0.27 2.63 1.01 -0.59 -4.53 120.40 122.61 1pla s VAL 3 Ca -0.07 -0.77 -0.08 0.00 0.00 0.00 0.00 61.98 61.05 1pla s VAL 3 Cb -0.14 -2.13 -0.03 0.00 0.00 0.00 0.00 36.38 34.09 1pla s VAL 3 CO -0.02 0.54 0.11 -0.54 0.00 0.00 0.00 175.10 175.20 1pla s LYS 4 N 0.15 3.62 -0.52 2.72 1.02 0.10 0.12 119.74 126.96 1pla s LYS 4 Ca -0.09 -0.51 -0.28 0.00 0.02 0.00 0.00 55.97 55.11 1pla s LYS 4 Cb -0.15 -3.44 0.03 0.00 -0.52 0.00 0.00 37.83 33.75 1pla s LYS 4 CO 0.05 -0.24 1.10 -0.51 -0.92 0.00 0.00 175.35 174.83 1pla s LEU 5 N 1.64 3.68 0.00 3.17 1.43 0.11 -2.58 118.68 126.13 1pla s LEU 5 Ca 0.06 0.19 0.00 0.00 -1.03 0.00 0.00 54.13 53.35 1pla s LEU 5 Cb -0.16 -3.28 0.00 0.00 0.03 0.00 0.00 46.19 42.78 1pla s LEU 5 CO 0.05 -1.30 0.00 0.61 0.23 0.00 0.00 176.35 175.95 1pla n GLY 6 N 4.97 2.69 0.64 -3.19 0.00 -1.06 -2.67 105.19 106.57 1pla n GLY 6 Ca 0.09 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.85 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 1.43 0.00 1.61 3.41 -0.97 -4.53 113.62 114.57 1pla n SER 7 Ca 0.00 -1.86 0.00 0.00 -0.26 0.00 0.00 58.87 56.75 1pla n SER 7 Cb 0.00 -0.46 0.00 0.00 -0.26 0.00 0.00 64.21 63.49 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 0.17 -1.37 0.00 4.04 9.92 -1.26 -2.91 116.55 125.14 1pla n ASP 8 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1pla n ASP 8 Cb 0.30 -2.40 0.00 0.00 -0.64 0.00 0.00 41.12 38.38 1pla n ASP 8 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 1pla n ASP 9 N -0.12 0.00 -0.09 -2.24 5.68 -1.26 -4.95 116.55 113.57 1pla n ASP 9 Ca 0.00 0.00 0.18 0.00 -0.50 0.00 0.00 54.79 54.47 1pla n ASP 9 Cb 0.11 0.00 0.59 0.00 -1.14 0.00 0.00 41.12 40.69 1pla n ASP 9 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1pla h GLY 10 N 0.00 0.37 0.00 6.12 0.00 -1.91 -3.47 103.07 104.17 1pla h GLY 10 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.24 1pla h GLY 10 CO 0.00 0.03 0.00 0.61 0.00 0.00 0.00 176.54 177.18 1pla n GLY 11 N -1.58 0.41 3.08 4.60 0.00 -1.26 -4.95 105.19 105.48 1pla n GLY 11 Ca 0.12 -1.08 -0.33 0.00 0.00 0.00 0.00 46.02 44.74 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 4.32 0.04 0.99 1.43 -1.26 -2.28 118.68 121.92 1pla s LEU 12 Ca 0.00 -1.77 -0.14 0.00 -1.03 0.00 0.00 54.13 51.19 1pla s LEU 12 Cb 0.00 -1.65 0.02 0.00 0.03 0.00 0.00 46.19 44.59 1pla s LEU 12 CO 0.00 -0.33 0.31 0.68 0.23 0.00 0.00 176.35 177.24 1pla s VAL 13 N 1.06 0.08 -0.50 -1.59 -7.23 -1.26 -4.10 120.40 106.85 1pla s VAL 13 Ca 0.02 -0.65 -0.29 0.00 -1.81 0.00 0.00 61.98 59.26 1pla s VAL 13 Cb -0.20 -0.90 0.02 0.00 0.56 0.00 0.00 36.38 35.87 1pla s VAL 13 CO -0.05 -0.36 1.24 -0.36 -0.31 0.00 0.00 175.10 175.26 1pla s PHE 14 N -2.39 2.62 -0.28 2.82 0.08 -1.26 -2.56 117.98 117.01 1pla s PHE 14 Ca -0.06 0.61 -0.02 0.00 0.12 0.00 0.00 56.93 57.58 1pla s PHE 14 Cb -0.01 -4.43 0.04 0.00 -0.57 0.00 0.00 43.02 38.04 1pla s PHE 14 CO -0.02 -1.57 -0.02 -1.12 -0.10 0.00 0.00 175.22 172.38 1pla s SER 15 N 3.09 4.65 1.28 1.36 0.01 -1.07 -1.17 113.70 121.86 1pla s SER 15 Ca 0.50 -1.09 -0.20 0.00 1.31 0.00 0.00 55.95 56.48 1pla s SER 15 Cb -0.09 -1.70 0.31 0.00 0.21 0.00 0.00 66.02 64.76 1pla s SER 15 CO 0.30 -0.20 1.03 -2.16 0.41 0.00 0.00 173.24 172.61 1pla s PRO 16 N 1.29 -1.80 -0.19 12.44 0.04 -1.26 0.03 135.00 145.54 1pla s PRO 16 Ca -0.03 0.14 -0.15 0.00 0.04 0.00 0.00 61.00 61.00 1pla s PRO 16 Cb -0.18 -1.51 -0.09 0.00 0.04 0.00 0.00 34.50 32.76 1pla s PRO 16 CO -0.02 -4.14 -0.15 0.45 0.04 0.00 0.00 177.00 173.18 1pla n SER 17 N -5.10 1.87 -4.14 6.66 2.88 -0.31 -4.89 113.62 110.59 1pla n SER 17 Ca 0.11 0.47 -0.22 0.00 -1.33 0.00 0.00 58.87 57.90 1pla n SER 17 Cb 0.59 -0.86 -0.14 0.00 -0.75 0.00 0.00 64.21 63.05 1pla n SER 17 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1pla s SER 18 N -6.33 1.76 -0.22 -3.46 1.04 -1.26 -2.41 113.70 102.81 1pla s SER 18 Ca -0.25 -0.36 -0.27 0.00 0.48 0.00 0.00 55.95 55.55 1pla s SER 18 Cb 0.05 -0.16 0.10 0.00 0.10 0.00 0.00 66.02 66.11 1pla s SER 18 CO 0.40 0.12 0.86 0.72 0.98 0.00 0.00 173.24 176.32 1pla s PHE 19 N -0.58 -0.60 0.30 5.02 -0.71 -1.02 -5.00 117.98 115.39 1pla s PHE 19 Ca 0.04 1.36 -0.07 0.00 -1.04 0.00 0.00 56.93 57.22 1pla s PHE 19 Cb -0.07 0.35 -0.06 0.00 -1.21 0.00 0.00 43.02 42.03 1pla s PHE 19 CO 0.00 -0.36 0.59 0.95 -1.34 0.00 0.00 175.22 175.07 1pla s THR 20 N -0.13 4.96 0.24 -4.49 -4.23 -1.26 -2.15 115.64 108.58 1pla s THR 20 Ca -0.01 0.26 0.01 0.00 -1.18 0.00 0.00 61.69 60.77 1pla s THR 20 Cb -0.04 -3.71 -0.00 0.00 1.34 0.00 0.00 72.50 70.10 1pla s THR 20 CO 0.00 -0.30 0.30 1.33 -0.54 0.00 0.00 174.62 175.41 1pla n VAL 21 N -0.82 0.00 -3.77 2.29 0.24 -0.77 -4.88 118.33 110.63 1pla n VAL 21 Ca -0.00 -1.39 -0.33 0.00 -2.04 0.00 0.00 64.34 60.58 1pla n VAL 21 Cb 0.54 0.79 -0.05 0.00 -1.47 0.00 0.00 33.84 33.65 1pla n VAL 21 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1pla s ALA 22 N -2.58 3.87 -0.79 2.33 0.00 -1.26 -1.92 121.76 121.41 1pla s ALA 22 Ca 0.23 -0.63 -0.24 0.00 0.00 0.00 0.00 51.96 51.31 1pla s ALA 22 Cb -0.00 -2.03 -0.19 0.00 0.00 0.00 0.00 23.12 20.90 1pla s ALA 22 CO 0.16 0.69 1.89 0.00 0.00 0.00 0.00 175.76 178.50 1pla n ALA 23 N 0.68 2.09 0.00 0.00 0.00 -0.64 -1.88 120.51 120.76 1pla n ALA 23 Ca -0.08 -3.00 0.00 0.00 0.00 0.00 0.00 53.44 50.36 1pla n ALA 23 Cb 0.52 -3.58 0.00 0.00 0.00 0.00 0.00 19.45 16.39 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 5.15 -0.04 3.95 0.00 0.00 -1.21 -4.84 105.19 108.21 1pla n GLY 24 Ca 0.47 0.00 -0.25 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 3.45 -0.28 1.61 2.12 -0.79 -5.05 118.70 119.76 1pla s GLU 25 Ca 0.00 -0.61 -0.17 0.00 0.36 0.00 0.00 54.97 54.55 1pla s GLU 25 Cb 0.00 -2.93 -0.03 0.00 0.26 0.00 0.00 34.13 31.43 1pla s GLU 25 CO 0.00 0.49 0.46 0.15 -0.54 0.00 0.00 175.26 175.82 1pla s LYS 26 N -3.42 3.98 -0.46 4.30 3.01 -1.26 -4.30 119.74 121.59 1pla s LYS 26 Ca 0.35 0.15 -0.15 0.00 -1.01 0.00 0.00 55.97 55.30 1pla s LYS 26 Cb -0.11 -3.68 0.06 0.00 -1.01 0.00 0.00 37.83 33.10 1pla s LYS 26 CO 0.29 -0.36 0.37 0.42 0.51 0.00 0.00 175.35 176.57 1pla s ILE 27 N 2.23 5.23 -0.29 2.17 1.01 0.79 -1.62 121.20 130.72 1pla s ILE 27 Ca 0.18 -0.96 -0.09 0.00 0.00 0.00 0.00 60.65 59.79 1pla s ILE 27 Cb -0.16 -4.07 -0.02 0.00 0.01 0.00 0.00 42.46 38.22 1pla s ILE 27 CO 0.10 -0.51 0.13 0.42 0.00 0.00 0.00 174.94 175.09 1pla s THR 28 N 1.65 4.61 0.33 2.92 -4.23 -0.86 -0.88 115.64 119.18 1pla s THR 28 Ca 0.04 -0.25 -0.17 0.00 -1.18 0.00 0.00 61.69 60.13 1pla s THR 28 Cb -0.23 -3.27 -0.09 0.00 1.34 0.00 0.00 72.50 70.25 1pla s THR 28 CO 0.08 0.18 0.79 -0.36 -0.54 0.00 0.00 174.62 174.76 1pla s PHE 29 N 1.64 3.41 -0.03 3.99 0.08 0.05 -1.54 117.98 125.58 1pla s PHE 29 Ca 0.06 1.34 -0.01 0.00 0.12 0.00 0.00 56.93 58.44 1pla s PHE 29 Cb -0.16 -2.63 0.02 0.00 -0.57 0.00 0.00 43.02 39.69 1pla s PHE 29 CO 0.06 0.09 0.06 0.21 -0.10 0.00 0.00 175.22 175.54 1pla s LYS 30 N -2.85 0.02 -0.57 0.44 2.20 0.33 -1.84 119.74 117.48 1pla s LYS 30 Ca 0.54 0.19 -0.22 0.00 -0.36 0.00 0.00 55.97 56.12 1pla s LYS 30 Cb -0.11 -0.14 0.06 0.00 -1.51 0.00 0.00 37.83 36.12 1pla s LYS 30 CO 0.17 -0.11 0.84 -0.80 -0.36 0.00 0.00 175.35 175.09 1pla s ASN 31 N 0.74 6.26 -0.08 1.43 0.02 -1.26 0.08 114.94 122.14 1pla s ASN 31 Ca -0.06 -0.72 0.10 0.00 -1.02 0.00 0.00 52.86 51.16 1pla s ASN 31 Cb -0.08 -2.38 -0.24 0.00 0.02 0.00 0.00 41.25 38.57 1pla s ASN 31 CO -0.03 -1.17 0.53 -0.46 0.02 0.00 0.00 177.10 175.99 1pla n ASN 32 N 7.08 0.98 -3.65 -1.22 6.94 -1.17 -3.12 115.26 121.11 1pla n ASN 32 Ca -0.03 0.33 -0.05 0.00 -0.02 0.00 0.00 54.58 54.81 1pla n ASN 32 Cb 0.46 -0.07 -0.07 0.00 -2.36 0.00 0.00 39.78 37.74 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 -2.58 -2.15 0.00 -2.53 0.00 -1.09 -4.90 121.76 108.51 1pla s ALA 33 Ca -0.09 1.75 0.00 0.00 0.00 0.00 0.00 51.96 53.62 1pla s ALA 33 Cb 0.08 -1.68 0.00 0.00 0.00 0.00 0.00 23.12 21.52 1pla s ALA 33 CO 0.81 -0.15 0.00 0.41 0.00 0.00 0.00 175.76 176.84 1pla n GLY 34 N 1.82 0.98 3.56 0.00 0.00 -1.26 -4.03 105.19 106.25 1pla n GLY 34 Ca -0.11 -0.02 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 1pla n GLY 34 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1pla n PHE 35 N -2.04 -0.19 -1.06 1.61 3.72 -1.26 -4.71 117.46 113.53 1pla n PHE 35 Ca 0.00 0.20 -0.14 0.00 -0.05 0.00 0.00 57.45 57.46 1pla n PHE 35 Cb 0.00 -1.86 0.11 0.00 -0.94 0.00 0.00 39.48 36.79 1pla n PHE 35 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1pla n PRO 36 N -4.03 -1.34 -3.72 -1.08 -0.04 -1.26 -5.07 135.00 118.46 1pla n PRO 36 Ca 0.08 -0.86 -0.13 0.00 -0.04 0.00 0.00 63.50 62.55 1pla n PRO 36 Cb 0.53 -0.69 -0.02 0.00 -0.04 0.00 0.00 33.50 33.28 1pla n PRO 36 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1pla n HIS 37 N -3.24 -1.44 -3.67 0.54 8.25 -0.90 -4.98 115.22 109.78 1pla n HIS 37 Ca 0.07 -2.09 -0.12 0.00 -0.26 0.00 0.00 57.72 55.33 1pla n HIS 37 Cb 0.27 0.53 -0.08 0.00 1.12 0.00 0.00 29.99 31.83 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 -2.95 -0.67 -0.59 0.41 3.04 -1.26 -3.14 114.94 109.77 1pla s ASN 38 Ca 0.25 1.23 0.04 0.00 0.04 0.00 0.00 52.86 54.43 1pla s ASN 38 Cb -0.01 1.21 0.15 0.00 -1.54 0.00 0.00 41.25 41.06 1pla s ASN 38 CO 0.18 -0.21 0.36 -0.63 -3.04 0.00 0.00 177.10 173.76 1pla s ILE 39 N 0.66 2.49 0.21 -5.21 1.01 -1.26 -3.70 121.20 115.40 1pla s ILE 39 Ca -0.03 -3.63 0.05 0.00 0.00 0.00 0.00 60.65 57.05 1pla s ILE 39 Cb -0.05 -2.68 -0.03 0.00 0.01 0.00 0.00 42.46 39.70 1pla s ILE 39 CO -0.04 -0.92 0.24 -0.69 0.00 0.00 0.00 174.94 173.53 1pla s VAL 40 N -0.72 4.81 -0.07 2.92 1.01 -0.97 -0.81 120.40 126.58 1pla s VAL 40 Ca 0.21 -1.10 0.02 0.00 0.00 0.00 0.00 61.98 61.11 1pla s VAL 40 Cb -0.15 -3.55 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 1pla s VAL 40 CO -0.08 -0.24 -0.11 -0.36 0.00 0.00 0.00 175.10 174.31 1pla s PHE 41 N -1.94 2.83 -0.57 5.22 0.40 -1.26 -2.06 117.98 120.60 1pla s PHE 41 Ca 0.33 -0.11 -0.27 0.00 -0.60 0.00 0.00 56.93 56.28 1pla s PHE 41 Cb -0.09 -1.69 0.03 0.00 0.51 0.00 0.00 43.02 41.78 1pla s PHE 41 CO 0.26 0.22 1.10 0.34 0.70 0.00 0.00 175.22 177.84 1pla s ASP 42 N -0.66 6.40 0.00 1.36 2.15 -0.97 -4.87 116.67 120.09 1pla s ASP 42 Ca 0.10 -0.07 0.00 0.00 0.43 0.00 0.00 52.55 53.01 1pla s ASP 42 Cb -0.11 -2.51 0.00 0.00 -0.30 0.00 0.00 42.92 40.00 1pla s ASP 42 CO 0.01 -1.39 0.70 -1.84 -0.17 0.00 0.00 175.17 172.48 1pla n GLU 43 N 8.09 0.54 -0.00 4.34 0.28 -1.26 -2.72 120.64 129.90 1pla n GLU 43 Ca 0.06 0.00 0.06 0.00 -0.16 0.00 0.00 57.16 57.12 1pla n GLU 43 Cb 0.48 -1.23 -0.08 0.00 1.43 0.00 0.00 31.44 32.04 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 1.02 1.42 -0.31 -1.84 8.00 -1.26 -4.62 116.55 118.96 1pla n ASP 44 Ca 0.00 -0.38 0.00 0.00 0.71 0.00 0.00 54.79 55.12 1pla n ASP 44 Cb 0.27 1.28 0.00 0.00 -0.02 0.00 0.00 41.12 42.65 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 -1.61 0.02 -3.53 -1.24 -0.58 -1.10 -5.08 120.64 107.52 1pla n GLU 45 Ca -0.00 -0.83 -0.36 0.00 -0.42 0.00 0.00 57.16 55.55 1pla n GLU 45 Cb 0.25 -0.51 -0.06 0.00 -0.57 0.00 0.00 31.44 30.56 1pla n GLU 45 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1pla s VAL 46 N -0.02 5.04 0.30 2.62 1.01 -1.24 -4.61 120.40 123.50 1pla s VAL 46 Ca 0.00 0.61 -0.27 0.00 0.00 0.00 0.00 61.98 62.32 1pla s VAL 46 Cb 0.00 -3.67 -0.14 0.00 0.00 0.00 0.00 36.38 32.57 1pla s VAL 46 CO 0.00 0.36 0.90 -2.65 0.00 0.00 0.00 175.10 173.71 1pla n PRO 47 N 1.14 1.10 -0.57 2.72 -0.02 -1.26 -4.76 135.00 133.34 1pla n PRO 47 Ca -0.09 0.39 -0.03 0.00 -2.02 0.00 0.00 63.50 61.74 1pla n PRO 47 Cb 0.52 -1.71 -0.05 0.00 -0.02 0.00 0.00 33.50 32.25 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 0.04 4.29 0.00 3.55 0.00 -1.26 -2.65 120.51 124.49 1pla n ALA 48 Ca 0.11 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.05 1pla n ALA 48 Cb 0.32 -1.51 0.00 0.00 0.00 0.00 0.00 19.45 18.27 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 1.88 0.00 3.29 0.00 0.00 -1.26 -5.01 105.19 104.09 1pla n GLY 49 Ca 0.12 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.65 5.18 0.24 1.61 1.01 -1.08 -5.04 120.40 121.67 1pla s VAL 50 Ca 0.00 -2.17 -0.28 0.00 0.00 0.00 0.00 61.98 59.53 1pla s VAL 50 Cb 0.00 -4.27 -0.16 0.00 0.00 0.00 0.00 36.38 31.96 1pla s VAL 50 CO 0.00 -0.94 0.78 0.59 0.00 0.00 0.00 175.10 175.52 1pla n ASN 51 N 4.39 0.03 -0.60 3.32 4.13 -1.26 -4.73 115.26 120.54 1pla n ASN 51 Ca 0.03 1.15 0.11 0.00 1.68 0.00 0.00 54.58 57.56 1pla n ASN 51 Cb 0.43 -1.11 0.38 0.00 -1.54 0.00 0.00 39.78 37.94 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 0.18 2.52 -0.02 5.41 0.00 -1.26 -3.86 120.51 123.48 1pla n ALA 52 Ca 0.14 -0.55 -0.11 0.00 0.00 0.00 0.00 53.44 52.93 1pla n ALA 52 Cb 0.28 -1.08 -0.14 0.00 0.00 0.00 0.00 19.45 18.51 1pla n ALA 52 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1pla n GLU 53 N 0.41 0.65 0.09 0.00 1.02 -1.26 -2.35 120.64 119.21 1pla n GLU 53 Ca 0.17 0.29 -0.03 0.00 -0.02 0.00 0.00 57.16 57.57 1pla n GLU 53 Cb 0.36 -1.78 0.20 0.00 -0.02 0.00 0.00 31.44 30.20 1pla n GLU 53 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1pla h LYS 54 N 0.01 0.24 0.04 3.49 1.57 -1.95 -3.26 116.57 116.72 1pla h LYS 54 Ca -0.31 -0.12 -0.34 0.00 -1.87 0.00 0.00 60.65 58.00 1pla h LYS 54 Cb 2.02 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 34.29 1pla h LYS 54 CO 0.08 0.65 -2.03 0.44 -0.57 0.00 0.00 179.45 178.02 1pla n ILE 55 N -3.99 1.62 -0.66 1.86 -5.35 -1.26 -4.95 119.36 106.63 1pla n ILE 55 Ca -0.02 -0.72 -0.31 0.00 -0.27 0.00 0.00 62.75 61.43 1pla n ILE 55 Cb 0.51 -1.26 0.18 0.00 -1.74 0.00 0.00 39.64 37.33 1pla n ILE 55 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 1pla n SER 56 N -3.19 -1.36 -3.80 7.28 7.64 -0.99 -4.98 113.62 114.22 1pla n SER 56 Ca -0.29 0.16 -0.29 0.00 1.01 0.00 0.00 58.87 59.46 1pla n SER 56 Cb 1.06 -1.25 -0.12 0.00 -1.01 0.00 0.00 64.21 62.88 1pla n SER 56 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1pla s GLN 57 N -4.07 1.87 0.62 1.43 -0.21 0.01 -4.94 119.66 114.38 1pla s GLN 57 Ca 0.62 -2.71 0.37 0.00 0.02 0.00 0.00 55.36 53.66 1pla s GLN 57 Cb -0.21 -2.88 2.09 0.00 1.00 0.00 0.00 33.01 33.02 1pla s GLN 57 CO 0.64 -1.23 2.30 -1.35 -2.12 0.00 0.00 175.29 173.53 1pla h PRO 58 N 5.98 0.00 -5.03 2.91 0.11 -1.91 -3.40 132.00 130.66 1pla h PRO 58 Ca 0.08 0.00 -0.65 0.00 0.11 0.00 0.00 66.00 65.53 1pla h PRO 58 Cb 0.84 0.00 -0.16 0.00 0.11 0.00 0.00 31.00 31.79 1pla h PRO 58 CO 0.61 0.00 -0.24 -2.00 -0.21 0.00 0.00 178.00 176.17 1pla s GLU 59 N -4.37 3.64 1.28 1.05 2.12 -1.26 -5.06 118.70 116.09 1pla s GLU 59 Ca -0.05 -0.31 -0.19 0.00 0.36 0.00 0.00 54.97 54.78 1pla s GLU 59 Cb 0.14 -3.78 0.29 0.00 0.26 0.00 0.00 34.13 31.04 1pla s GLU 59 CO 0.48 -0.51 0.67 0.66 -0.54 0.00 0.00 175.26 176.03 1pla n TYR 60 N 5.44 -2.87 -3.73 5.30 4.01 -1.26 -4.96 117.16 119.09 1pla n TYR 60 Ca -0.08 -0.42 -0.12 0.00 -0.16 0.00 0.00 57.90 57.11 1pla n TYR 60 Cb 0.49 -1.42 -0.12 0.00 -0.31 0.00 0.00 39.34 37.99 1pla n TYR 60 CO 0.00 0.00 0.00 -0.48 -0.46 0.00 0.00 176.86 175.92 1pla s LEU 61 N -5.01 0.40 -0.26 7.72 0.05 -1.19 -5.00 118.68 115.40 1pla s LEU 61 Ca 0.58 0.64 0.15 0.00 0.05 0.00 0.00 54.13 55.54 1pla s LEU 61 Cb -0.12 0.98 0.48 0.00 -2.05 0.00 0.00 46.19 45.47 1pla s LEU 61 CO 0.52 -0.16 1.16 -0.46 -0.55 0.00 0.00 176.35 176.86 1pla n ASN 62 N 3.88 3.22 -4.61 1.48 6.94 -1.26 -2.12 115.26 122.79 1pla n ASN 62 Ca -0.21 -2.98 -0.36 0.00 -0.02 0.00 0.00 54.58 51.01 1pla n ASN 62 Cb 0.55 -0.41 -0.10 0.00 -2.36 0.00 0.00 39.78 37.46 1pla n ASN 62 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1pla s GLY 63 N -3.60 1.92 -0.53 4.83 0.00 -1.26 -4.93 107.32 103.74 1pla s GLY 63 Ca 0.40 -0.89 -0.27 0.00 0.00 0.00 0.00 44.72 43.95 1pla s GLY 63 CO -0.01 0.32 1.77 0.00 0.00 0.00 0.00 173.10 175.18 1pla s ALA 64 N 0.96 2.45 0.00 3.20 0.00 -1.26 -1.71 121.76 125.40 1pla s ALA 64 Ca 0.06 -0.43 0.00 0.00 0.00 0.00 0.00 51.96 51.58 1pla s ALA 64 Cb -0.14 -4.20 0.00 0.00 0.00 0.00 0.00 23.12 18.79 1pla s ALA 64 CO 0.03 -3.42 0.00 0.41 0.00 0.00 0.00 175.76 172.78 1pla n GLY 65 N 5.55 0.50 3.58 0.00 0.00 -1.18 -5.03 105.19 108.61 1pla n GLY 65 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1pla n GLY 65 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1pla s GLU 66 N -0.98 3.29 0.34 1.61 2.12 -0.69 -4.78 118.70 119.61 1pla s GLU 66 Ca 0.00 0.85 0.03 0.00 0.36 0.00 0.00 54.97 56.21 1pla s GLU 66 Cb 0.00 -4.15 -0.02 0.00 0.26 0.00 0.00 34.13 30.22 1pla s GLU 66 CO 0.00 -1.92 0.52 0.95 -0.54 0.00 0.00 175.26 174.27 1pla s THR 67 N 6.51 4.70 -0.02 -1.70 -4.23 -1.26 -4.09 115.64 115.55 1pla s THR 67 Ca 0.64 -0.69 0.01 0.00 -1.18 0.00 0.00 61.69 60.47 1pla s THR 67 Cb -0.15 -3.69 0.01 0.00 1.34 0.00 0.00 72.50 70.01 1pla s THR 67 CO 0.29 -0.38 -0.04 -0.47 -0.54 0.00 0.00 174.62 173.47 1pla s TYR 68 N -2.27 0.52 0.13 3.99 6.14 -0.77 -4.95 117.35 120.15 1pla s TYR 68 Ca 0.41 -0.10 -0.01 0.00 0.64 0.00 0.00 57.07 58.01 1pla s TYR 68 Cb -0.10 -0.41 -0.04 0.00 0.42 0.00 0.00 41.96 41.83 1pla s TYR 68 CO 0.34 -0.07 0.31 -1.21 0.64 0.00 0.00 175.55 175.56 1pla s GLU 69 N 0.29 3.50 -0.17 4.97 2.02 -1.26 -0.77 118.70 127.28 1pla s GLU 69 Ca -0.03 -0.37 -0.11 0.00 0.02 0.00 0.00 54.97 54.48 1pla s GLU 69 Cb -0.07 -2.93 0.05 0.00 0.10 0.00 0.00 34.13 31.29 1pla s GLU 69 CO -0.00 0.50 0.42 0.08 0.02 0.00 0.00 175.26 176.28 1pla s VAL 70 N -1.69 -0.02 -0.27 2.63 1.01 -0.06 -4.96 120.40 117.05 1pla s VAL 70 Ca 0.37 0.06 0.02 0.00 0.00 0.00 0.00 61.98 62.44 1pla s VAL 70 Cb -0.12 -0.62 0.07 0.00 0.00 0.00 0.00 36.38 35.72 1pla s VAL 70 CO 0.28 0.03 -0.04 -0.89 0.00 0.00 0.00 175.10 174.48 1pla s THR 71 N 1.08 1.80 0.45 3.92 2.01 -1.26 -0.15 115.64 123.49 1pla s THR 71 Ca -0.07 -1.57 -0.03 0.00 0.31 0.00 0.00 61.69 60.33 1pla s THR 71 Cb -0.07 -2.09 -0.03 0.00 0.01 0.00 0.00 72.50 70.32 1pla s THR 71 CO -0.09 -0.22 0.72 -0.76 -0.69 0.00 0.00 174.62 173.58 1pla s LEU 72 N 1.24 3.69 -0.31 4.42 1.43 -1.26 -5.01 118.68 122.87 1pla s LEU 72 Ca -0.02 0.72 0.17 0.00 -1.03 0.00 0.00 54.13 53.97 1pla s LEU 72 Cb -0.19 -3.64 0.45 0.00 0.03 0.00 0.00 46.19 42.84 1pla s LEU 72 CO -0.08 -0.56 1.34 0.41 0.23 0.00 0.00 176.35 177.69 1pla n THR 73 N -2.15 0.54 -3.64 5.49 -1.04 -1.26 -3.28 114.28 108.94 1pla n THR 73 Ca -0.00 -1.88 -0.20 0.00 -2.04 0.00 0.00 64.05 59.93 1pla n THR 73 Cb 0.56 1.11 -0.16 0.00 -1.82 0.00 0.00 70.33 70.01 1pla n THR 73 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1pla s GLU 74 N -1.56 0.02 -0.40 -2.82 8.01 -1.26 -4.98 118.70 115.70 1pla s GLU 74 Ca 0.18 0.33 -0.30 0.00 0.01 0.00 0.00 54.97 55.19 1pla s GLU 74 Cb 0.40 -0.78 -0.09 0.00 -4.31 0.00 0.00 34.13 29.35 1pla s GLU 74 CO -0.08 -0.43 2.31 0.36 0.01 0.00 0.00 175.26 177.43 1pla n LYS 75 N 5.31 1.26 -3.30 1.61 2.85 -1.26 -4.55 118.16 120.08 1pla n LYS 75 Ca -0.05 0.25 0.00 0.00 -1.05 0.00 0.00 58.31 57.47 1pla n LYS 75 Cb 0.50 -2.94 0.00 0.00 -0.65 0.00 0.00 35.03 31.94 1pla n LYS 75 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1pla n GLY 76 N 6.14 -0.77 3.10 2.58 0.00 -0.58 -4.93 105.19 110.72 1pla n GLY 76 Ca 0.38 -0.81 -0.30 0.00 0.00 0.00 0.00 46.02 45.30 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 -3.00 1.67 0.15 2.61 -4.23 -1.26 -0.19 115.64 111.40 1pla s THR 77 Ca 0.00 -0.75 0.06 0.00 -1.18 0.00 0.00 61.69 59.82 1pla s THR 77 Cb 0.00 -1.51 -0.04 0.00 1.34 0.00 0.00 72.50 72.29 1pla s THR 77 CO 0.00 0.48 0.03 -0.31 -0.54 0.00 0.00 174.62 174.27 1pla s TYR 78 N 0.89 2.94 -0.09 3.99 1.51 -0.92 -4.50 117.35 121.18 1pla s TYR 78 Ca -0.08 -0.09 0.03 0.00 -1.01 0.00 0.00 57.07 55.92 1pla s TYR 78 Cb -0.15 -1.44 -0.02 0.00 -0.11 0.00 0.00 41.96 40.24 1pla s TYR 78 CO -0.01 0.51 -0.17 0.15 -1.11 0.00 0.00 175.55 174.93 1pla s LYS 79 N -2.85 2.90 0.04 -0.62 1.02 -1.26 -2.29 119.74 116.68 1pla s LYS 79 Ca 0.28 -0.74 -0.05 0.00 0.02 0.00 0.00 55.97 55.47 1pla s LYS 79 Cb -0.10 -2.43 -0.01 0.00 -0.52 0.00 0.00 37.83 34.77 1pla s LYS 79 CO 0.20 0.39 0.09 -0.59 -0.92 0.00 0.00 175.35 174.51 1pla s PHE 80 N -0.13 0.21 0.09 3.18 -0.71 -0.36 -2.30 117.98 117.96 1pla s PHE 80 Ca -0.02 -0.53 -0.10 0.00 -1.04 0.00 0.00 56.93 55.24 1pla s PHE 80 Cb -0.14 -0.15 0.03 0.00 -1.21 0.00 0.00 43.02 41.56 1pla s PHE 80 CO 0.04 -0.36 0.47 2.48 -1.34 0.00 0.00 175.22 176.50 1pla n TYR 81 N 0.75 -0.94 -4.05 3.49 4.11 -0.87 0.24 117.16 119.89 1pla n TYR 81 Ca -0.19 -0.58 -0.35 0.00 -0.00 0.00 0.00 57.90 56.78 1pla n TYR 81 Cb 0.59 0.28 -0.14 0.00 -0.00 0.00 0.00 39.34 40.07 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 7.76 0.46 -0.24 0.00 4.22 -1.91 -0.70 114.58 124.18 1pla h GLU 83 Ca -0.38 -0.35 -0.18 0.00 0.08 0.00 0.00 59.36 58.53 1pla h GLU 83 Cb 1.17 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.48 1pla h GLU 83 CO 0.60 0.98 -0.57 -1.00 -2.18 0.00 0.00 179.01 176.84 1pla h PRO 84 N 0.33 0.75 -0.56 0.92 0.14 -1.95 -3.13 132.00 128.51 1pla h PRO 84 Ca -0.02 -0.48 -0.05 0.00 0.14 0.00 0.00 66.00 65.59 1pla h PRO 84 Cb 1.24 0.06 -0.03 0.00 0.14 0.00 0.00 31.00 32.41 1pla h PRO 84 CO 0.12 1.11 0.06 0.72 0.14 0.00 0.00 178.00 180.15 1pla n HIS 85 N -3.98 1.97 0.10 1.56 8.25 -1.23 -4.48 115.22 117.41 1pla n HIS 85 Ca -0.04 -0.87 0.07 0.00 -0.26 0.00 0.00 57.72 56.61 1pla n HIS 85 Cb 0.63 -0.52 0.35 0.00 1.12 0.00 0.00 29.99 31.57 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 0.24 1.01 0.68 -1.41 0.00 -0.27 0.00 120.51 120.77 1pla n ALA 86 Ca 0.30 0.12 0.11 0.00 0.00 0.00 0.00 53.44 53.97 1pla n ALA 86 Cb 1.19 -1.18 0.09 0.00 0.00 0.00 0.00 19.45 19.55 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 -1.38 -1.24 0.14 0.00 0.00 -1.26 -3.89 105.19 97.56 1pla n GLY 87 Ca -0.01 -0.37 0.11 0.00 0.00 0.00 0.00 46.02 45.74 1pla n GLY 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pla h ALA 88 N 2.65 0.62 0.00 4.61 0.00 -0.76 -3.47 119.26 122.91 1pla h ALA 88 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1pla h ALA 88 Cb 0.67 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1pla h ALA 88 CO 0.00 0.07 0.00 0.41 0.00 0.00 0.00 179.25 179.73 1pla n GLY 89 N 1.18 1.38 3.55 0.00 0.00 -1.16 -4.89 105.19 105.25 1pla n GLY 89 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 1pla n GLY 89 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1pla s MET 90 N -0.25 2.77 0.08 1.61 1.00 -1.22 -4.74 119.30 118.54 1pla s MET 90 Ca 0.00 0.26 0.05 0.00 0.00 0.00 0.00 55.69 56.00 1pla s MET 90 Cb 0.00 -4.47 -0.03 0.00 0.00 0.00 0.00 34.83 30.33 1pla s MET 90 CO 0.00 -2.67 -0.14 0.15 0.00 0.00 0.00 175.02 172.35 1pla s LYS 91 N 6.69 0.84 0.04 2.03 -0.14 -1.26 -2.62 119.74 125.32 1pla s LYS 91 Ca 0.60 -0.98 -0.01 0.00 -1.36 0.00 0.00 55.97 54.22 1pla s LYS 91 Cb -0.10 -0.85 -0.03 0.00 -1.68 0.00 0.00 37.83 35.16 1pla s LYS 91 CO 0.16 0.19 -0.02 0.20 -0.76 0.00 0.00 175.35 175.11 1pla s GLY 92 N -1.80 0.36 -0.12 -3.33 0.00 0.67 -4.39 107.32 98.71 1pla s GLY 92 Ca -0.01 -0.93 -0.27 0.00 0.00 0.00 0.00 44.72 43.51 1pla s GLY 92 CO 0.02 -1.03 0.65 1.85 0.00 0.00 0.00 173.10 174.59 1pla s GLU 93 N -2.91 0.93 -0.05 2.90 2.12 -1.01 -1.23 118.70 119.45 1pla s GLU 93 Ca -0.02 0.46 -0.01 0.00 0.36 0.00 0.00 54.97 55.75 1pla s GLU 93 Cb 0.01 0.44 0.03 0.00 0.26 0.00 0.00 34.13 34.87 1pla s GLU 93 CO -0.06 -0.23 0.03 0.54 -0.54 0.00 0.00 175.26 174.99 1pla s VAL 94 N -0.65 0.09 -0.65 3.70 0.11 -0.97 -2.42 120.40 119.60 1pla s VAL 94 Ca -0.07 0.27 -0.17 0.00 -2.93 0.00 0.00 61.98 59.08 1pla s VAL 94 Cb -0.02 -0.28 0.14 0.00 -1.53 0.00 0.00 36.38 34.69 1pla s VAL 94 CO 0.06 0.19 0.69 -0.89 -3.33 0.00 0.00 175.10 171.82 1pla s THR 95 N 1.85 5.11 0.47 5.04 2.01 -0.91 -2.17 115.64 127.04 1pla s THR 95 Ca 0.02 -1.53 -0.15 0.00 0.31 0.00 0.00 61.69 60.34 1pla s THR 95 Cb -0.12 -4.46 -0.08 0.00 0.01 0.00 0.00 72.50 67.85 1pla s THR 95 CO -0.03 -1.05 0.91 -0.69 -0.69 0.00 0.00 174.62 173.07 1pla s VAL 96 N 1.78 4.60 0.00 3.82 1.01 0.74 -1.84 120.40 130.51 1pla s VAL 96 Ca 0.12 1.05 0.00 0.00 0.00 0.00 0.00 61.98 63.15 1pla s VAL 96 Cb -0.21 -3.71 0.00 0.00 0.00 0.00 0.00 36.38 32.45 1pla s VAL 96 CO 0.01 -0.61 0.00 -0.46 0.00 0.00 0.00 175.10 174.04