#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 1.29 -0.15 0.00 8.01 -1.26 -2.53 118.70 124.05 1pla s GLU 2 Ca 0.00 -0.18 -0.00 0.00 0.01 0.00 0.00 54.97 54.80 1pla s GLU 2 Cb 0.00 -1.36 -0.01 0.00 -4.31 0.00 0.00 34.13 28.45 1pla s GLU 2 CO 0.00 -0.22 -0.14 0.08 0.01 0.00 0.00 175.26 174.99 1pla s VAL 3 N 1.56 2.86 -0.32 2.63 1.01 -0.58 -4.51 120.40 123.05 1pla s VAL 3 Ca 0.01 -0.71 -0.11 0.00 0.00 0.00 0.00 61.98 61.17 1pla s VAL 3 Cb -0.13 -2.22 -0.02 0.00 0.00 0.00 0.00 36.38 34.02 1pla s VAL 3 CO -0.05 0.51 0.20 -0.54 0.00 0.00 0.00 175.10 175.21 1pla s LYS 4 N 0.71 3.50 -0.36 2.72 1.02 0.12 0.08 119.74 127.53 1pla s LYS 4 Ca -0.06 -0.63 -0.29 0.00 0.02 0.00 0.00 55.97 55.01 1pla s LYS 4 Cb -0.15 -3.69 0.02 0.00 -0.52 0.00 0.00 37.83 33.49 1pla s LYS 4 CO 0.02 -0.40 1.12 -0.51 -0.92 0.00 0.00 175.35 174.66 1pla s LEU 5 N 1.69 3.85 0.00 3.17 1.43 0.86 -2.64 118.68 127.03 1pla s LEU 5 Ca 0.06 0.92 0.00 0.00 -1.03 0.00 0.00 54.13 54.07 1pla s LEU 5 Cb -0.17 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.50 1pla s LEU 5 CO 0.09 -1.00 0.00 0.61 0.23 0.00 0.00 176.35 176.28 1pla n GLY 6 N 4.17 0.12 3.69 -3.19 0.00 -1.09 -1.75 105.19 107.14 1pla n GLY 6 Ca 0.12 -0.91 -0.30 0.00 0.00 0.00 0.00 46.02 44.94 1pla n GLY 6 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pla s SER 7 N 0.00 3.26 0.04 1.61 1.04 -0.14 -4.23 113.70 115.28 1pla s SER 7 Ca 0.00 1.63 0.21 0.00 0.48 0.00 0.00 55.95 58.28 1pla s SER 7 Cb 0.00 -2.29 0.89 0.00 0.10 0.00 0.00 66.02 64.73 1pla s SER 7 CO 0.00 -2.80 1.68 0.47 0.98 0.00 0.00 173.24 173.57 1pla n ASP 8 N -4.00 0.12 0.00 7.02 9.92 -1.26 -4.37 116.55 123.98 1pla n ASP 8 Ca 0.07 0.52 0.00 0.00 -0.53 0.00 0.00 54.79 54.86 1pla n ASP 8 Cb 0.54 -0.55 0.00 0.00 -0.64 0.00 0.00 41.12 40.47 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 -1.63 0.00 0.21 -2.24 5.68 -1.26 -4.94 116.55 112.37 1pla n ASP 9 Ca 0.05 -0.01 0.09 0.00 -0.50 0.00 0.00 54.79 54.41 1pla n ASP 9 Cb 0.26 0.00 0.33 0.00 -1.14 0.00 0.00 41.12 40.57 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 0.00 0.00 6.12 0.00 -1.96 -3.49 103.07 103.74 1pla h GLY 10 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1pla h GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1pla n GLY 11 N 0.52 0.06 3.30 4.60 0.00 -1.26 -4.93 105.19 107.46 1pla n GLY 11 Ca 0.01 -1.89 -0.43 0.00 0.00 0.00 0.00 46.02 43.71 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 5.67 0.08 0.99 1.43 -1.26 -0.97 118.68 124.63 1pla s LEU 12 Ca 0.00 -1.63 -0.13 0.00 -1.03 0.00 0.00 54.13 51.34 1pla s LEU 12 Cb 0.00 -2.10 0.02 0.00 0.03 0.00 0.00 46.19 44.14 1pla s LEU 12 CO 0.00 -0.69 0.31 0.68 0.23 0.00 0.00 176.35 176.88 1pla s VAL 13 N 1.51 0.09 -0.42 -1.59 -7.23 -1.26 -4.44 120.40 107.07 1pla s VAL 13 Ca 0.04 -0.78 -0.29 0.00 -1.81 0.00 0.00 61.98 59.14 1pla s VAL 13 Cb -0.26 -1.13 0.02 0.00 0.56 0.00 0.00 36.38 35.57 1pla s VAL 13 CO 0.03 -0.43 1.18 -0.36 -0.31 0.00 0.00 175.10 175.21 1pla s PHE 14 N -3.36 2.81 -0.32 2.82 0.08 -1.26 -2.69 117.98 116.06 1pla s PHE 14 Ca 0.01 0.83 -0.02 0.00 0.12 0.00 0.00 56.93 57.86 1pla s PHE 14 Cb 0.02 -4.21 0.06 0.00 -0.57 0.00 0.00 43.02 38.33 1pla s PHE 14 CO -0.08 -1.32 0.05 -1.12 -0.10 0.00 0.00 175.22 172.64 1pla s SER 15 N 2.55 4.97 1.22 1.36 0.01 -1.08 -0.65 113.70 122.08 1pla s SER 15 Ca 0.50 -1.45 -0.19 0.00 1.31 0.00 0.00 55.95 56.13 1pla s SER 15 Cb -0.10 -1.74 0.29 0.00 0.21 0.00 0.00 66.02 64.68 1pla s SER 15 CO 0.27 -0.32 1.07 -2.16 0.41 0.00 0.00 173.24 172.51 1pla s PRO 16 N 1.22 -1.38 -0.16 12.44 0.04 -1.26 0.11 135.00 146.01 1pla s PRO 16 Ca -0.02 0.09 -0.12 0.00 0.04 0.00 0.00 61.00 60.99 1pla s PRO 16 Cb -0.20 -1.56 -0.05 0.00 0.04 0.00 0.00 34.50 32.72 1pla s PRO 16 CO -0.02 -3.85 -0.18 0.45 0.04 0.00 0.00 177.00 173.44 1pla n SER 17 N -4.88 1.84 -4.21 6.66 2.88 0.17 -4.89 113.62 111.20 1pla n SER 17 Ca 0.11 0.55 -0.27 0.00 -1.33 0.00 0.00 58.87 57.93 1pla n SER 17 Cb 0.59 -0.85 -0.16 0.00 -0.75 0.00 0.00 64.21 63.04 1pla n SER 17 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1pla s SER 18 N -5.93 2.44 -0.27 -3.46 0.15 -1.26 -2.53 113.70 102.84 1pla s SER 18 Ca -0.20 -0.38 -0.21 0.00 0.70 0.00 0.00 55.95 55.86 1pla s SER 18 Cb 0.03 -0.40 0.07 0.00 -1.71 0.00 0.00 66.02 64.02 1pla s SER 18 CO 0.30 0.23 0.70 0.72 1.20 0.00 0.00 173.24 176.40 1pla s PHE 19 N -0.34 -0.89 0.33 3.44 -0.71 -0.87 -5.00 117.98 113.94 1pla s PHE 19 Ca 0.04 1.99 -0.14 0.00 -1.04 0.00 0.00 56.93 57.78 1pla s PHE 19 Cb -0.09 0.41 -0.09 0.00 -1.21 0.00 0.00 43.02 42.04 1pla s PHE 19 CO 0.00 -0.43 0.74 0.95 -1.34 0.00 0.00 175.22 175.13 1pla s THR 20 N 0.87 4.70 0.32 -4.49 -4.23 -1.26 -2.36 115.64 109.19 1pla s THR 20 Ca -0.04 0.89 0.01 0.00 -1.18 0.00 0.00 61.69 61.37 1pla s THR 20 Cb -0.05 -3.63 -0.01 0.00 1.34 0.00 0.00 72.50 70.15 1pla s THR 20 CO -0.07 -0.23 0.37 0.68 -0.54 0.00 0.00 174.62 174.82 1pla s VAL 21 N -2.04 0.00 0.02 2.29 -7.23 -0.35 -4.85 120.40 108.25 1pla s VAL 21 Ca 0.54 -1.79 -0.05 0.00 -1.81 0.00 0.00 61.98 58.87 1pla s VAL 21 Cb -0.10 -2.56 -0.05 0.00 0.56 0.00 0.00 36.38 34.23 1pla s VAL 21 CO 0.19 0.00 0.26 0.00 -0.31 0.00 0.00 175.10 175.24 1pla s ALA 22 N -3.34 3.88 -0.83 1.32 0.00 -1.26 -1.04 121.76 120.50 1pla s ALA 22 Ca 0.35 -0.63 -0.26 0.00 0.00 0.00 0.00 51.96 51.42 1pla s ALA 22 Cb 0.01 -2.01 -0.15 0.00 0.00 0.00 0.00 23.12 20.97 1pla s ALA 22 CO 0.22 0.69 2.37 0.00 0.00 0.00 0.00 175.76 179.04 1pla s ALA 23 N -1.35 0.67 0.00 0.00 0.00 -1.26 -1.34 121.76 118.47 1pla s ALA 23 Ca 0.29 -0.89 0.00 0.00 0.00 0.00 0.00 51.96 51.36 1pla s ALA 23 Cb -0.13 -4.59 0.00 0.00 0.00 0.00 0.00 23.12 18.40 1pla s ALA 23 CO 0.18 -6.04 0.00 0.41 0.00 0.00 0.00 175.76 170.32 1pla n GLY 24 N 6.74 0.06 3.83 0.00 0.00 -1.12 -4.88 105.19 109.82 1pla n GLY 24 Ca 0.46 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.11 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 3.83 -0.24 1.61 2.56 -0.45 -5.05 118.70 120.97 1pla s GLU 25 Ca 0.00 0.15 -0.25 0.00 0.00 0.00 0.00 54.97 54.88 1pla s GLU 25 Cb 0.00 -3.26 -0.00 0.00 2.00 0.00 0.00 34.13 32.87 1pla s GLU 25 CO 0.00 0.62 0.83 0.15 -0.56 0.00 0.00 175.26 176.30 1pla s LYS 26 N -0.70 4.19 -0.33 4.30 1.02 -1.26 -4.35 119.74 122.61 1pla s LYS 26 Ca 0.19 0.95 -0.07 0.00 0.02 0.00 0.00 55.97 57.06 1pla s LYS 26 Cb -0.14 -3.64 0.03 0.00 -0.52 0.00 0.00 37.83 33.56 1pla s LYS 26 CO 0.08 -0.51 0.10 0.42 -0.92 0.00 0.00 175.35 174.52 1pla s ILE 27 N 2.83 3.83 -0.28 2.17 1.01 0.29 0.15 121.20 131.19 1pla s ILE 27 Ca 0.35 -1.05 -0.08 0.00 0.00 0.00 0.00 60.65 59.87 1pla s ILE 27 Cb -0.15 -3.13 -0.01 0.00 0.01 0.00 0.00 42.46 39.18 1pla s ILE 27 CO 0.07 -0.13 0.10 0.42 0.00 0.00 0.00 174.94 175.40 1pla s THR 28 N 1.42 4.30 -0.60 2.92 -4.23 -1.05 -0.79 115.64 117.61 1pla s THR 28 Ca -0.01 -0.42 -0.24 0.00 -1.18 0.00 0.00 61.69 59.84 1pla s THR 28 Cb -0.19 -3.14 0.05 0.00 1.34 0.00 0.00 72.50 70.56 1pla s THR 28 CO 0.03 0.17 0.99 -0.36 -0.54 0.00 0.00 174.62 174.91 1pla s PHE 29 N 1.58 2.70 -0.15 3.99 0.08 -0.58 -1.53 117.98 124.06 1pla s PHE 29 Ca 0.05 -0.15 -0.07 0.00 0.12 0.00 0.00 56.93 56.88 1pla s PHE 29 Cb -0.16 -4.21 -0.04 0.00 -0.57 0.00 0.00 43.02 38.03 1pla s PHE 29 CO 0.04 -1.52 0.10 0.21 -0.10 0.00 0.00 175.22 173.95 1pla s LYS 30 N 4.21 3.70 -0.05 0.44 2.20 0.11 -2.36 119.74 127.99 1pla s LYS 30 Ca 0.29 -0.24 -0.30 0.00 -0.36 0.00 0.00 55.97 55.37 1pla s LYS 30 Cb -0.13 -3.20 -0.03 0.00 -1.51 0.00 0.00 37.83 32.96 1pla s LYS 30 CO 0.17 0.53 1.14 -0.80 -0.36 0.00 0.00 175.35 176.03 1pla s ASN 31 N -0.34 7.13 -0.14 1.43 0.01 -0.91 -0.10 114.94 122.00 1pla s ASN 31 Ca 0.10 1.76 0.09 0.00 -0.71 0.00 0.00 52.86 54.11 1pla s ASN 31 Cb -0.12 -2.56 -0.15 0.00 0.41 0.00 0.00 41.25 38.83 1pla s ASN 31 CO 0.01 -0.51 -0.01 -3.20 -1.51 0.00 0.00 177.10 171.89 1pla n ASN 32 N 4.90 1.95 0.00 -1.22 5.15 -0.71 -3.57 115.26 121.75 1pla n ASN 32 Ca 0.10 -0.02 0.00 0.00 -0.60 0.00 0.00 54.58 54.05 1pla n ASN 32 Cb 0.47 0.54 0.00 0.00 -0.53 0.00 0.00 39.78 40.26 1pla n ASN 32 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1pla n ALA 33 N -2.63 0.00 -2.51 5.20 0.00 -1.24 -4.97 120.51 114.36 1pla n ALA 33 Ca -0.24 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 52.97 1pla n ALA 33 Cb 0.91 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.36 1pla n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pla n GLY 34 N 0.00 4.92 3.93 0.00 0.00 -1.25 -5.02 105.19 107.77 1pla n GLY 34 Ca 0.00 -2.40 -0.25 0.00 0.00 0.00 0.00 46.02 43.36 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 -3.44 3.44 0.30 1.61 -0.71 -1.26 -4.13 117.98 113.79 1pla s PHE 35 Ca 0.43 0.51 -0.28 0.00 -1.04 0.00 0.00 56.93 56.55 1pla s PHE 35 Cb 0.41 -2.19 -0.09 0.00 -1.21 0.00 0.00 43.02 39.94 1pla s PHE 35 CO -0.13 -0.19 0.99 -1.25 -1.34 0.00 0.00 175.22 173.30 1pla s PRO 36 N -4.57 4.62 0.29 1.99 0.04 -1.26 -5.05 135.00 131.07 1pla s PRO 36 Ca 0.45 1.50 0.08 0.00 0.04 0.00 0.00 61.00 63.07 1pla s PRO 36 Cb -0.10 -2.98 -0.03 0.00 0.04 0.00 0.00 34.50 31.42 1pla s PRO 36 CO 0.40 0.28 0.21 -1.01 0.04 0.00 0.00 177.00 176.91 1pla s HIS 37 N -1.40 2.95 -0.07 0.56 3.76 -1.05 -4.90 115.29 115.15 1pla s HIS 37 Ca 0.47 -0.22 -0.05 0.00 -0.15 0.00 0.00 55.06 55.11 1pla s HIS 37 Cb -0.24 -1.55 0.02 0.00 1.11 0.00 0.00 32.58 31.92 1pla s HIS 37 CO 0.30 0.39 0.17 1.21 -0.85 0.00 0.00 174.74 175.96 1pla s ASN 38 N -3.88 -0.17 -0.15 1.40 3.04 -1.26 -3.40 114.94 110.51 1pla s ASN 38 Ca 0.36 0.34 -0.00 0.00 0.04 0.00 0.00 52.86 53.61 1pla s ASN 38 Cb -0.06 0.32 0.03 0.00 -1.54 0.00 0.00 41.25 40.00 1pla s ASN 38 CO 0.25 -0.08 -0.09 -0.63 -3.04 0.00 0.00 177.10 173.51 1pla s ILE 39 N 0.34 1.29 0.02 -5.21 1.09 -1.26 -3.99 121.20 113.47 1pla s ILE 39 Ca -0.02 -0.61 0.05 0.00 -1.10 0.00 0.00 60.65 58.97 1pla s ILE 39 Cb -0.03 -1.34 -0.02 0.00 -1.06 0.00 0.00 42.46 40.01 1pla s ILE 39 CO -0.01 0.27 -0.15 -0.69 -0.10 0.00 0.00 174.94 174.26 1pla s VAL 40 N 1.58 1.22 -0.30 2.92 1.01 -0.95 -1.63 120.40 124.24 1pla s VAL 40 Ca 0.02 -0.85 -0.16 0.00 0.00 0.00 0.00 61.98 60.99 1pla s VAL 40 Cb -0.14 -1.05 -0.02 0.00 0.00 0.00 0.00 36.38 35.16 1pla s VAL 40 CO -0.09 0.19 0.42 -0.36 0.00 0.00 0.00 175.10 175.27 1pla s PHE 41 N -0.60 3.22 -0.62 5.22 0.40 -1.26 -2.16 117.98 122.18 1pla s PHE 41 Ca 0.04 0.29 -0.27 0.00 -0.60 0.00 0.00 56.93 56.39 1pla s PHE 41 Cb -0.07 -2.70 -0.11 0.00 0.51 0.00 0.00 43.02 40.65 1pla s PHE 41 CO 0.00 -0.36 2.48 -3.47 0.70 0.00 0.00 175.22 174.57 1pla n ASP 42 N 5.47 1.80 0.00 1.36 2.03 0.35 -4.72 116.55 122.85 1pla n ASP 42 Ca -0.07 -0.42 0.02 0.00 0.52 0.00 0.00 54.79 54.83 1pla n ASP 42 Cb 0.50 -1.43 0.09 0.00 -0.72 0.00 0.00 41.12 39.55 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 8.84 0.20 0.00 -0.67 0.28 -1.26 -1.12 120.64 126.90 1pla n GLU 43 Ca 0.44 0.00 0.10 0.00 -0.16 0.00 0.00 57.16 57.55 1pla n GLU 43 Cb 0.43 -1.24 -0.08 0.00 1.43 0.00 0.00 31.44 31.98 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 -0.74 1.25 -0.24 -1.84 8.00 -1.26 -4.35 116.55 117.37 1pla n ASP 44 Ca 0.02 -1.12 0.02 0.00 0.71 0.00 0.00 54.79 54.42 1pla n ASP 44 Cb 0.01 0.85 0.02 0.00 -0.02 0.00 0.00 41.12 41.99 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 -1.12 0.52 -3.66 -1.24 1.02 -0.28 -5.07 120.64 110.80 1pla n GLU 45 Ca 0.05 -1.19 -0.33 0.00 -0.02 0.00 0.00 57.16 55.68 1pla n GLU 45 Cb 0.37 -0.72 -0.05 0.00 -0.02 0.00 0.00 31.44 31.01 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 -0.59 5.17 0.35 2.62 1.01 -1.11 -4.19 120.40 123.65 1pla s VAL 46 Ca 0.05 0.21 -0.25 0.00 0.00 0.00 0.00 61.98 61.99 1pla s VAL 46 Cb 0.05 -3.62 -0.13 0.00 0.00 0.00 0.00 36.38 32.68 1pla s VAL 46 CO 0.01 0.20 0.78 -2.65 0.00 0.00 0.00 175.10 173.43 1pla n PRO 47 N 0.61 0.89 -1.43 2.72 -0.02 -1.26 -4.75 135.00 131.76 1pla n PRO 47 Ca -0.06 0.32 -0.42 0.00 -2.02 0.00 0.00 63.50 61.31 1pla n PRO 47 Cb 0.52 -1.65 -0.03 0.00 -0.02 0.00 0.00 33.50 32.32 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 -0.33 4.08 0.00 3.55 0.00 -1.26 -2.85 120.51 123.69 1pla n ALA 48 Ca 0.11 -3.53 0.00 0.00 0.00 0.00 0.00 53.44 50.03 1pla n ALA 48 Cb 0.35 -3.60 0.00 0.00 0.00 0.00 0.00 19.45 16.20 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 4.44 0.48 3.52 0.00 0.00 -1.26 -5.09 105.19 107.28 1pla n GLY 49 Ca 0.50 -0.04 -0.43 0.00 0.00 0.00 0.00 46.02 46.06 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 4.35 0.50 1.61 1.01 -1.13 -5.00 120.40 121.74 1pla s VAL 50 Ca 0.00 0.22 -0.20 0.00 0.00 0.00 0.00 61.98 61.99 1pla s VAL 50 Cb 0.00 -4.57 -0.10 0.00 0.00 0.00 0.00 36.38 31.70 1pla s VAL 50 CO 0.00 -1.18 0.57 -3.20 0.00 0.00 0.00 175.10 171.29 1pla n ASN 51 N 7.57 -0.78 -0.39 3.32 2.85 -1.26 -4.72 115.26 121.85 1pla n ASN 51 Ca 0.01 0.83 0.11 0.00 -0.11 0.00 0.00 54.58 55.42 1pla n ASN 51 Cb 0.47 -1.16 -0.01 0.00 1.24 0.00 0.00 39.78 40.32 1pla n ASN 51 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1pla n ALA 52 N -1.25 3.77 -0.02 5.20 0.00 -1.26 -4.26 120.51 122.69 1pla n ALA 52 Ca 0.11 -0.62 -0.09 0.00 0.00 0.00 0.00 53.44 52.84 1pla n ALA 52 Cb 0.44 -0.81 -0.14 0.00 0.00 0.00 0.00 19.45 18.94 1pla n ALA 52 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1pla n GLU 53 N -0.33 0.64 0.17 0.00 -0.00 -1.26 -2.36 120.64 117.49 1pla n GLU 53 Ca 0.08 0.30 0.01 0.00 -0.00 0.00 0.00 57.16 57.56 1pla n GLU 53 Cb 0.44 -1.79 0.29 0.00 -0.00 0.00 0.00 31.44 30.38 1pla n GLU 53 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.13 178.00 1pla h LYS 54 N 0.00 0.00 0.06 3.44 1.57 -1.97 -3.23 116.57 116.44 1pla h LYS 54 Ca -0.29 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.13 1pla h LYS 54 Cb 2.01 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 34.28 1pla h LYS 54 CO 0.08 0.46 -2.14 0.44 -0.57 0.00 0.00 179.45 177.72 1pla n ILE 55 N -3.98 1.63 -0.95 1.86 -5.35 -1.26 -4.95 119.36 106.37 1pla n ILE 55 Ca -0.02 -0.67 -0.31 0.00 -0.27 0.00 0.00 62.75 61.48 1pla n ILE 55 Cb 0.48 -1.41 0.13 0.00 -1.74 0.00 0.00 39.64 37.11 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 -6.59 3.58 -0.41 7.28 0.01 -0.99 -4.99 113.70 111.58 1pla s SER 56 Ca -0.22 2.07 0.06 0.00 1.31 0.00 0.00 55.95 59.16 1pla s SER 56 Cb 0.07 -2.55 0.20 0.00 0.21 0.00 0.00 66.02 63.96 1pla s SER 56 CO 0.73 -2.66 0.42 0.00 0.41 0.00 0.00 173.24 172.14 1pla n GLN 57 N -3.88 0.44 0.30 12.44 0.00 -0.64 -4.89 117.38 121.15 1pla n GLN 57 Ca 0.11 -3.22 0.19 0.00 0.00 0.00 0.00 57.00 54.08 1pla n GLN 57 Cb 0.52 -1.48 1.01 0.00 0.00 0.00 0.00 30.24 30.29 1pla n GLN 57 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.06 175.71 1pla h PRO 58 N 4.92 0.00 -5.47 2.61 0.11 -1.94 -3.38 132.00 128.85 1pla h PRO 58 Ca 0.18 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 66.03 1pla h PRO 58 Cb 0.89 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.01 1pla h PRO 58 CO 0.42 0.00 0.97 0.39 -0.21 0.00 0.00 178.00 179.56 1pla n GLU 59 N -3.27 0.80 -0.95 1.05 4.71 -1.26 -4.88 120.64 116.84 1pla n GLU 59 Ca -0.02 -0.36 -0.36 0.00 -0.01 0.00 0.00 57.16 56.41 1pla n GLU 59 Cb 0.20 -3.48 0.06 0.00 -1.01 0.00 0.00 31.44 27.22 1pla n GLU 59 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 1pla n TYR 60 N 16.88 -3.45 -3.42 -0.32 4.01 -1.26 -4.99 117.16 124.60 1pla n TYR 60 Ca 0.42 0.19 -0.11 0.00 -0.16 0.00 0.00 57.90 58.24 1pla n TYR 60 Cb 0.48 -1.48 -0.09 0.00 -0.31 0.00 0.00 39.34 37.94 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 5.98 -0.53 -0.23 7.72 2.34 -1.22 -5.00 118.68 127.74 1pla s LEU 61 Ca 0.43 0.26 0.14 0.00 0.06 0.00 0.00 54.13 55.01 1pla s LEU 61 Cb -0.11 1.00 0.65 0.00 -0.56 0.00 0.00 46.19 47.16 1pla s LEU 61 CO 0.75 -0.29 1.59 -0.46 -1.06 0.00 0.00 176.35 176.88 1pla n ASN 62 N 5.36 4.44 -4.76 1.48 0.23 -1.26 -2.53 115.26 118.22 1pla n ASN 62 Ca -0.05 -3.11 -0.40 0.00 -0.53 0.00 0.00 54.58 50.50 1pla n ASN 62 Cb 0.50 -0.63 -0.06 0.00 -2.08 0.00 0.00 39.78 37.51 1pla n ASN 62 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 1pla s GLY 63 N -1.52 2.90 -0.37 4.83 0.00 -1.26 -4.89 107.32 107.01 1pla s GLY 63 Ca 0.48 0.37 -0.27 0.00 0.00 0.00 0.00 44.72 45.30 1pla s GLY 63 CO 0.11 1.02 1.00 0.00 0.00 0.00 0.00 173.10 175.23 1pla s ALA 64 N -0.67 3.40 0.00 3.20 0.00 -1.26 -3.19 121.76 123.24 1pla s ALA 64 Ca 0.38 -0.33 0.00 0.00 0.00 0.00 0.00 51.96 52.01 1pla s ALA 64 Cb -0.22 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.27 1pla s ALA 64 CO 0.26 -1.65 0.00 0.41 0.00 0.00 0.00 175.76 174.78 1pla n GLY 65 N 4.28 1.71 3.71 0.00 0.00 -1.23 -5.04 105.19 108.61 1pla n GLY 65 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 1pla n GLY 65 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1pla n GLU 66 N -2.00 1.03 -4.08 1.61 -0.58 -1.19 -4.43 120.64 111.00 1pla n GLU 66 Ca 0.00 0.41 -0.10 0.00 -0.42 0.00 0.00 57.16 57.04 1pla n GLU 66 Cb 0.00 -2.48 -0.08 0.00 -0.57 0.00 0.00 31.44 28.32 1pla n GLU 66 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 1pla s THR 67 N -1.44 0.02 -0.04 2.62 -4.23 -1.26 -2.15 115.64 109.16 1pla s THR 67 Ca 0.81 -1.67 0.01 0.00 -1.18 0.00 0.00 61.69 59.66 1pla s THR 67 Cb -0.38 -2.24 0.02 0.00 1.34 0.00 0.00 72.50 71.25 1pla s THR 67 CO 0.42 -0.09 -0.03 -0.47 -0.54 0.00 0.00 174.62 173.90 1pla s TYR 68 N -4.07 0.63 0.30 3.99 6.14 -1.00 -4.94 117.35 118.41 1pla s TYR 68 Ca 0.28 -0.15 -0.08 0.00 0.64 0.00 0.00 57.07 57.76 1pla s TYR 68 Cb 0.04 -0.59 -0.06 0.00 0.42 0.00 0.00 41.96 41.76 1pla s TYR 68 CO 0.08 -0.17 0.61 -1.21 0.64 0.00 0.00 175.55 175.50 1pla s GLU 69 N 0.92 3.75 -0.17 4.97 2.02 -1.26 -1.53 118.70 127.39 1pla s GLU 69 Ca -0.11 0.24 -0.10 0.00 0.02 0.00 0.00 54.97 55.02 1pla s GLU 69 Cb -0.14 -2.57 0.06 0.00 0.10 0.00 0.00 34.13 31.57 1pla s GLU 69 CO -0.00 0.19 0.42 0.08 0.02 0.00 0.00 175.26 175.96 1pla s VAL 70 N -2.06 -0.02 -0.39 2.63 1.01 0.03 -4.97 120.40 116.63 1pla s VAL 70 Ca 0.47 0.08 0.01 0.00 0.00 0.00 0.00 61.98 62.55 1pla s VAL 70 Cb -0.11 -0.62 0.12 0.00 0.00 0.00 0.00 36.38 35.77 1pla s VAL 70 CO 0.26 0.03 0.18 -0.89 0.00 0.00 0.00 175.10 174.69 1pla s THR 71 N 1.32 1.28 0.59 3.92 2.01 -1.26 -0.55 115.64 122.95 1pla s THR 71 Ca -0.09 -2.15 -0.13 0.00 0.31 0.00 0.00 61.69 59.63 1pla s THR 71 Cb -0.08 -1.92 -0.05 0.00 0.01 0.00 0.00 72.50 70.46 1pla s THR 71 CO -0.12 -0.80 1.02 -0.76 -0.69 0.00 0.00 174.62 173.27 1pla s LEU 72 N 0.82 3.36 -0.34 4.42 1.43 -1.26 -4.90 118.68 122.21 1pla s LEU 72 Ca 0.15 1.50 0.15 0.00 -1.03 0.00 0.00 54.13 54.90 1pla s LEU 72 Cb -0.22 -4.49 0.44 0.00 0.03 0.00 0.00 46.19 41.95 1pla s LEU 72 CO -0.08 -0.83 1.22 1.07 0.23 0.00 0.00 176.35 177.95 1pla n THR 73 N -2.37 0.55 -3.44 5.49 5.66 -1.26 -2.78 114.28 116.13 1pla n THR 73 Ca 0.06 -2.16 -0.21 0.00 -3.05 0.00 0.00 64.05 58.70 1pla n THR 73 Cb 0.54 0.96 -0.11 0.00 -1.55 0.00 0.00 70.33 70.17 1pla n THR 73 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 175.07 171.32 1pla s GLU 74 N -1.62 0.28 -0.49 1.09 2.12 -1.26 -4.96 118.70 113.87 1pla s GLU 74 Ca 0.22 -0.27 -0.44 0.00 0.36 0.00 0.00 54.97 54.85 1pla s GLU 74 Cb 0.41 -0.81 -0.19 0.00 0.26 0.00 0.00 34.13 33.80 1pla s GLU 74 CO -0.05 -1.03 1.95 0.36 -0.54 0.00 0.00 175.26 175.96 1pla n LYS 75 N 5.29 0.00 0.00 4.30 0.00 -1.26 -4.66 118.16 121.83 1pla n LYS 75 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.28 1pla n LYS 75 Cb 0.45 -1.46 0.00 0.00 -0.00 0.00 0.00 35.03 34.02 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 6.45 -0.76 2.88 2.58 0.00 -0.62 -4.94 105.19 110.79 1pla n GLY 76 Ca 0.48 -0.35 -0.14 0.00 0.00 0.00 0.00 46.02 46.01 1pla n GLY 76 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pla s THR 77 N -4.00 -0.04 -0.13 2.61 2.01 -1.26 -1.53 115.64 113.30 1pla s THR 77 Ca 0.00 0.15 0.03 0.00 0.31 0.00 0.00 61.69 62.18 1pla s THR 77 Cb 0.00 -0.16 0.01 0.00 0.01 0.00 0.00 72.50 72.36 1pla s THR 77 CO 0.00 0.06 -0.21 -0.31 -0.69 0.00 0.00 174.62 173.47 1pla s TYR 78 N 0.88 2.54 -0.35 4.92 1.51 -1.01 -4.26 117.35 121.57 1pla s TYR 78 Ca -0.07 -1.23 -0.13 0.00 -1.01 0.00 0.00 57.07 54.63 1pla s TYR 78 Cb -0.09 -1.74 -0.01 0.00 -0.11 0.00 0.00 41.96 40.01 1pla s TYR 78 CO -0.04 -0.56 0.25 0.15 -1.11 0.00 0.00 175.55 174.24 1pla s LYS 79 N 0.75 3.36 0.35 -0.62 3.01 -1.26 -2.52 119.74 122.81 1pla s LYS 79 Ca -0.09 -0.74 0.05 0.00 -1.01 0.00 0.00 55.97 54.18 1pla s LYS 79 Cb -0.16 -3.83 -0.07 0.00 -1.01 0.00 0.00 37.83 32.77 1pla s LYS 79 CO 0.00 -0.51 0.03 -0.59 0.51 0.00 0.00 175.35 174.79 1pla s PHE 80 N 1.70 2.17 0.12 3.18 -0.71 0.30 -0.50 117.98 124.24 1pla s PHE 80 Ca 0.06 -0.84 -0.23 0.00 -1.04 0.00 0.00 56.93 54.87 1pla s PHE 80 Cb -0.18 -1.46 0.08 0.00 -1.21 0.00 0.00 43.02 40.26 1pla s PHE 80 CO 0.10 0.18 1.10 2.48 -1.34 0.00 0.00 175.22 177.74 1pla n TYR 81 N -0.78 -1.03 -3.71 3.49 4.11 -0.92 0.15 117.16 118.47 1pla n TYR 81 Ca -0.03 -1.08 -0.38 0.00 -0.00 0.00 0.00 57.90 56.41 1pla n TYR 81 Cb 0.67 0.52 -0.12 0.00 -0.00 0.00 0.00 39.34 40.40 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 8.29 1.02 -0.10 0.00 4.81 -1.88 -1.06 114.58 125.66 1pla h GLU 83 Ca -0.32 -0.36 -0.03 0.00 -0.13 0.00 0.00 59.36 58.52 1pla h GLU 83 Cb 1.14 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.44 1pla h GLU 83 CO 0.61 1.05 -0.07 -1.00 -0.73 0.00 0.00 179.01 178.87 1pla h PRO 84 N 0.90 0.23 -0.41 0.92 0.14 -1.94 -3.04 132.00 128.80 1pla h PRO 84 Ca 0.15 -0.11 0.00 0.00 0.14 0.00 0.00 66.00 66.18 1pla h PRO 84 Cb 0.63 -0.00 0.00 0.00 0.14 0.00 0.00 31.00 31.77 1pla h PRO 84 CO 0.04 0.61 0.00 0.72 0.14 0.00 0.00 178.00 179.51 1pla n HIS 85 N -4.69 0.49 0.28 1.56 8.25 -1.23 -4.09 115.22 115.78 1pla n HIS 85 Ca -0.07 -0.22 0.17 0.00 -0.26 0.00 0.00 57.72 57.35 1pla n HIS 85 Cb 0.29 -0.06 0.93 0.00 1.12 0.00 0.00 29.99 32.28 1pla n HIS 85 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1pla h ALA 86 N 3.38 1.53 0.00 -1.41 0.00 -1.07 0.30 119.26 121.99 1pla h ALA 86 Ca 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1pla h ALA 86 Cb 0.54 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 1pla h ALA 86 CO 0.04 -0.11 -0.02 0.78 0.00 0.00 0.00 179.25 179.94 1pla h GLY 87 N 0.00 0.00 0.66 0.00 0.00 -1.82 -2.13 103.07 99.79 1pla h GLY 87 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.03 1pla h GLY 87 CO -0.00 0.00 -1.94 0.00 0.00 0.00 0.00 176.54 174.60 1pla n ALA 88 N -2.18 1.41 0.00 3.60 0.00 0.08 -4.98 120.51 118.44 1pla n ALA 88 Ca -0.02 -0.89 0.00 0.00 0.00 0.00 0.00 53.44 52.53 1pla n ALA 88 Cb 0.14 -0.64 0.00 0.00 0.00 0.00 0.00 19.45 18.95 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 1.69 1.98 3.58 0.00 0.00 -0.80 -5.06 105.19 106.57 1pla n GLY 89 Ca -0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.14 3.39 0.29 1.61 1.00 -1.23 -4.87 119.30 119.35 1pla s MET 90 Ca 0.00 0.37 0.05 0.00 0.00 0.00 0.00 55.69 56.11 1pla s MET 90 Cb 0.00 -4.08 -0.06 0.00 0.00 0.00 0.00 34.83 30.69 1pla s MET 90 CO 0.00 -1.83 -0.00 0.15 0.00 0.00 0.00 175.02 173.34 1pla s LYS 91 N 5.27 1.55 -0.02 2.03 1.02 -1.26 -1.87 119.74 126.45 1pla s LYS 91 Ca 0.48 -1.81 -0.12 0.00 0.02 0.00 0.00 55.97 54.54 1pla s LYS 91 Cb -0.09 -0.95 0.02 0.00 -0.52 0.00 0.00 37.83 36.29 1pla s LYS 91 CO 0.25 -0.07 0.25 0.20 -0.92 0.00 0.00 175.35 175.06 1pla s GLY 92 N -3.43 -0.10 -0.16 -3.33 0.00 0.40 -4.33 107.32 96.37 1pla s GLY 92 Ca 0.32 0.26 -0.18 0.00 0.00 0.00 0.00 44.72 45.12 1pla s GLY 92 CO 0.13 0.08 0.48 -0.54 0.00 0.00 0.00 173.10 173.25 1pla s GLU 93 N -1.12 0.61 -0.05 2.90 2.02 -1.05 -0.54 118.70 121.48 1pla s GLU 93 Ca -0.12 0.57 -0.00 0.00 0.02 0.00 0.00 54.97 55.43 1pla s GLU 93 Cb -0.05 0.30 0.03 0.00 0.10 0.00 0.00 34.13 34.50 1pla s GLU 93 CO 0.03 -0.10 0.00 0.54 0.02 0.00 0.00 175.26 175.75 1pla s VAL 94 N 0.01 0.25 -0.54 2.63 0.11 -1.05 -2.06 120.40 119.75 1pla s VAL 94 Ca -0.02 0.12 -0.12 0.00 -2.93 0.00 0.00 61.98 59.02 1pla s VAL 94 Cb -0.03 -0.38 0.14 0.00 -1.53 0.00 0.00 36.38 34.57 1pla s VAL 94 CO 0.02 0.20 0.46 -0.89 -3.33 0.00 0.00 175.10 171.55 1pla s THR 95 N 1.47 4.77 0.40 5.04 2.01 -1.00 -2.41 115.64 125.92 1pla s THR 95 Ca -0.03 -1.77 -0.22 0.00 0.31 0.00 0.00 61.69 59.98 1pla s THR 95 Cb -0.13 -4.08 -0.11 0.00 0.01 0.00 0.00 72.50 68.19 1pla s THR 95 CO -0.03 -0.85 0.95 -0.69 -0.69 0.00 0.00 174.62 173.31 1pla s VAL 96 N 1.30 4.34 0.00 3.82 1.01 -0.58 -1.21 120.40 129.08 1pla s VAL 96 Ca 0.06 1.59 0.00 0.00 0.00 0.00 0.00 61.98 63.63 1pla s VAL 96 Cb -0.26 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.39 1pla s VAL 96 CO 0.00 -0.18 0.00 0.59 0.00 0.00 0.00 175.10 175.51