#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 4.27 -0.15 0.00 2.02 -1.26 -1.74 118.70 121.84 1pla s GLU 2 Ca 0.00 0.39 0.01 0.00 0.02 0.00 0.00 54.97 55.39 1pla s GLU 2 Cb 0.00 -3.40 0.02 0.00 0.10 0.00 0.00 34.13 30.84 1pla s GLU 2 CO 0.00 0.25 -0.18 0.08 0.02 0.00 0.00 175.26 175.43 1pla s VAL 3 N 0.35 1.81 -0.28 2.63 1.01 -0.37 -4.28 120.40 121.27 1pla s VAL 3 Ca 0.24 -0.80 -0.17 0.00 0.00 0.00 0.00 61.98 61.25 1pla s VAL 3 Cb -0.15 -1.65 -0.02 0.00 0.00 0.00 0.00 36.38 34.55 1pla s VAL 3 CO 0.10 0.50 0.48 -0.54 0.00 0.00 0.00 175.10 175.63 1pla s LYS 4 N 1.22 3.95 -0.75 2.72 3.01 0.13 0.73 119.74 130.75 1pla s LYS 4 Ca 0.01 0.13 -0.26 0.00 -1.01 0.00 0.00 55.97 54.84 1pla s LYS 4 Cb -0.14 -3.69 0.02 0.00 -1.01 0.00 0.00 37.83 33.02 1pla s LYS 4 CO -0.09 -0.40 1.38 -0.51 0.51 0.00 0.00 175.35 176.25 1pla s LEU 5 N 2.26 3.21 0.00 3.17 1.43 0.94 -2.62 118.68 127.07 1pla s LEU 5 Ca 0.19 -0.45 0.00 0.00 -1.03 0.00 0.00 54.13 52.83 1pla s LEU 5 Cb -0.16 -2.56 0.00 0.00 0.03 0.00 0.00 46.19 43.51 1pla s LEU 5 CO 0.10 -1.89 0.00 0.61 0.23 0.00 0.00 176.35 175.40 1pla n GLY 6 N 5.60 3.23 3.91 -3.19 0.00 -1.02 -2.39 105.19 111.32 1pla n GLY 6 Ca 0.09 -1.37 -0.28 0.00 0.00 0.00 0.00 46.02 44.46 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 5.08 0.61 1.61 1.04 -0.94 -4.53 113.70 116.57 1pla s SER 7 Ca 0.00 0.74 0.39 0.00 0.48 0.00 0.00 55.95 57.56 1pla s SER 7 Cb 0.00 -1.47 1.86 0.00 0.10 0.00 0.00 66.02 66.51 1pla s SER 7 CO 0.00 -1.48 2.17 0.44 0.98 0.00 0.00 173.24 175.35 1pla h ASP 8 N -0.61 0.00 0.00 7.02 5.19 -1.97 -3.39 116.42 122.66 1pla h ASP 8 Ca -0.45 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.96 1pla h ASP 8 Cb 1.29 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.80 1pla h ASP 8 CO 0.62 0.00 0.00 -0.90 -3.12 0.00 0.00 179.24 175.85 1pla n ASP 9 N -3.09 0.00 0.09 6.45 5.68 -1.26 -4.97 116.55 119.45 1pla n ASP 9 Ca -0.01 -0.35 -0.09 0.00 -0.50 0.00 0.00 54.79 53.84 1pla n ASP 9 Cb 0.20 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.14 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 0.17 0.00 6.12 0.00 -1.97 -3.50 103.07 103.89 1pla h GLY 10 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.99 1pla h GLY 10 CO 0.00 0.30 0.00 0.61 0.00 0.00 0.00 176.54 177.45 1pla n GLY 11 N 1.04 0.51 3.09 4.60 0.00 -1.26 -5.00 105.19 108.17 1pla n GLY 11 Ca -0.03 -1.11 -0.33 0.00 0.00 0.00 0.00 46.02 44.55 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 4.43 0.07 0.99 1.43 -1.26 -2.21 118.68 122.13 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 -1.68 0.02 0.00 0.03 0.00 0.00 46.19 44.56 1pla s LEU 12 CO 0.00 -0.36 0.31 0.68 0.23 0.00 0.00 176.35 177.21 1pla s VAL 13 N 1.08 0.09 -0.44 -1.59 -7.23 -1.26 -4.29 120.40 106.77 1pla s VAL 13 Ca 0.03 -0.74 -0.29 0.00 -1.81 0.00 0.00 61.98 59.16 1pla s VAL 13 Cb -0.20 -1.07 0.02 0.00 0.56 0.00 0.00 36.38 35.69 1pla s VAL 13 CO -0.05 -0.41 1.23 -0.36 -0.31 0.00 0.00 175.10 175.20 1pla s PHE 14 N -3.09 2.71 -0.29 2.82 0.40 -1.26 -2.43 117.98 116.84 1pla s PHE 14 Ca -0.01 0.75 -0.02 0.00 -0.60 0.00 0.00 56.93 57.04 1pla s PHE 14 Cb 0.01 -4.32 0.04 0.00 0.51 0.00 0.00 43.02 39.26 1pla s PHE 14 CO -0.07 -1.47 -0.01 -1.12 0.70 0.00 0.00 175.22 173.25 1pla s SER 15 N 2.86 4.78 1.20 1.36 0.01 -1.08 -0.79 113.70 122.03 1pla s SER 15 Ca 0.52 -1.13 -0.17 0.00 1.31 0.00 0.00 55.95 56.49 1pla s SER 15 Cb -0.10 -1.72 0.28 0.00 0.21 0.00 0.00 66.02 64.70 1pla s SER 15 CO 0.30 -0.22 1.04 -2.84 0.41 0.00 0.00 173.24 171.93 1pla s PRO 16 N 1.29 -1.21 -0.07 12.44 0.02 -1.26 0.21 135.00 146.43 1pla s PRO 16 Ca -0.03 0.32 -0.06 0.00 0.02 0.00 0.00 61.00 61.24 1pla s PRO 16 Cb -0.19 -1.56 -0.02 0.00 0.02 0.00 0.00 34.50 32.75 1pla s PRO 16 CO -0.02 -3.79 -0.13 0.43 -0.33 0.00 0.00 177.00 173.17 1pla n SER 17 N -4.88 0.79 -4.45 2.53 7.64 0.02 -4.88 113.62 110.39 1pla n SER 17 Ca 0.08 0.21 -0.33 0.00 1.01 0.00 0.00 58.87 59.84 1pla n SER 17 Cb 0.58 -0.61 -0.13 0.00 -1.01 0.00 0.00 64.21 63.03 1pla n SER 17 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1pla s SER 18 N -4.69 3.98 -0.19 6.43 0.01 -1.26 -2.38 113.70 115.60 1pla s SER 18 Ca -0.10 -0.24 -0.29 0.00 1.31 0.00 0.00 55.95 56.63 1pla s SER 18 Cb 0.01 -1.00 0.12 0.00 0.21 0.00 0.00 66.02 65.36 1pla s SER 18 CO 0.15 0.30 0.99 0.72 0.41 0.00 0.00 173.24 175.82 1pla s PHE 19 N -0.48 -0.41 0.59 2.43 -0.71 -1.01 -5.00 117.98 113.39 1pla s PHE 19 Ca 0.06 0.79 -0.08 0.00 -1.04 0.00 0.00 56.93 56.66 1pla s PHE 19 Cb -0.12 0.43 -0.02 0.00 -1.21 0.00 0.00 43.02 42.10 1pla s PHE 19 CO 0.02 -0.32 0.94 0.95 -1.34 0.00 0.00 175.22 175.47 1pla s THR 20 N -0.76 4.39 -0.03 -4.49 -4.23 -1.26 -2.26 115.64 107.00 1pla s THR 20 Ca -0.01 0.46 -0.14 0.00 -1.18 0.00 0.00 61.69 60.82 1pla s THR 20 Cb -0.02 -3.73 0.02 0.00 1.34 0.00 0.00 72.50 70.11 1pla s THR 20 CO -0.00 -0.86 0.31 0.68 -0.54 0.00 0.00 174.62 174.21 1pla s VAL 21 N -3.04 0.05 0.28 2.29 -7.23 -0.57 -4.84 120.40 107.34 1pla s VAL 21 Ca 0.53 -0.42 -0.29 0.00 -1.81 0.00 0.00 61.98 59.99 1pla s VAL 21 Cb -0.11 -0.59 -0.09 0.00 0.56 0.00 0.00 36.38 36.15 1pla s VAL 21 CO 0.49 -0.23 1.04 0.00 -0.31 0.00 0.00 175.10 176.09 1pla s ALA 22 N -1.14 3.35 -0.86 1.32 0.00 -1.26 -1.33 121.76 121.84 1pla s ALA 22 Ca -0.12 0.77 -0.26 0.00 0.00 0.00 0.00 51.96 52.35 1pla s ALA 22 Cb -0.05 -3.28 -0.25 0.00 0.00 0.00 0.00 23.12 19.55 1pla s ALA 22 CO 0.04 -0.03 1.97 0.00 0.00 0.00 0.00 175.76 177.73 1pla n ALA 23 N 1.15 0.29 0.00 0.00 0.00 -0.80 -1.13 120.51 120.01 1pla n ALA 23 Ca -0.01 -2.22 0.00 0.00 0.00 0.00 0.00 53.44 51.21 1pla n ALA 23 Cb 0.46 -3.23 0.00 0.00 0.00 0.00 0.00 19.45 16.68 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 5.86 0.00 3.85 0.00 0.00 -1.26 -5.02 105.19 108.63 1pla n GLY 24 Ca 0.39 0.00 -0.30 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 3.18 -0.30 1.61 2.56 -0.28 -5.08 118.70 120.38 1pla s GLU 25 Ca 0.00 -0.57 -0.16 0.00 0.00 0.00 0.00 54.97 54.24 1pla s GLU 25 Cb 0.00 -2.89 -0.02 0.00 2.00 0.00 0.00 34.13 33.22 1pla s GLU 25 CO 0.00 0.58 0.42 0.15 -0.56 0.00 0.00 175.26 175.85 1pla s LYS 26 N -2.50 3.82 -0.66 4.30 1.02 -1.26 -4.47 119.74 119.99 1pla s LYS 26 Ca 0.32 -0.08 -0.19 0.00 0.02 0.00 0.00 55.97 56.04 1pla s LYS 26 Cb -0.12 -3.73 0.11 0.00 -0.52 0.00 0.00 37.83 33.57 1pla s LYS 26 CO 0.25 -0.43 0.80 0.42 -0.92 0.00 0.00 175.35 175.48 1pla s ILE 27 N 2.16 4.76 -0.31 2.17 1.01 -0.19 -3.67 121.20 127.14 1pla s ILE 27 Ca 0.16 -1.02 -0.17 0.00 0.00 0.00 0.00 60.65 59.61 1pla s ILE 27 Cb -0.16 -4.56 -0.02 0.00 0.01 0.00 0.00 42.46 37.73 1pla s ILE 27 CO 0.11 -1.23 0.46 0.42 0.00 0.00 0.00 174.94 174.70 1pla s THR 28 N 2.80 5.09 0.22 2.92 -4.23 -0.71 -1.72 115.64 120.01 1pla s THR 28 Ca 0.16 0.48 -0.22 0.00 -1.18 0.00 0.00 61.69 60.94 1pla s THR 28 Cb -0.20 -3.85 -0.08 0.00 1.34 0.00 0.00 72.50 69.71 1pla s THR 28 CO 0.04 -0.04 0.76 -0.36 -0.54 0.00 0.00 174.62 174.49 1pla s PHE 29 N 2.25 3.70 -0.05 3.99 0.08 0.29 -1.24 117.98 126.99 1pla s PHE 29 Ca 0.17 1.48 -0.00 0.00 0.12 0.00 0.00 56.93 58.71 1pla s PHE 29 Cb -0.16 -2.69 0.03 0.00 -0.57 0.00 0.00 43.02 39.63 1pla s PHE 29 CO 0.11 0.35 -0.02 0.21 -0.10 0.00 0.00 175.22 175.78 1pla s LYS 30 N -1.82 0.67 -0.33 0.44 2.20 0.22 -2.22 119.74 118.89 1pla s LYS 30 Ca 0.42 0.01 -0.29 0.00 -0.36 0.00 0.00 55.97 55.75 1pla s LYS 30 Cb -0.18 -0.85 0.02 0.00 -1.51 0.00 0.00 37.83 35.31 1pla s LYS 30 CO 0.22 -0.18 1.11 1.21 -0.36 0.00 0.00 175.35 177.35 1pla s ASN 31 N 1.38 6.88 0.00 1.43 3.84 -0.66 -0.04 114.94 127.77 1pla s ASN 31 Ca -0.04 1.04 0.00 0.00 0.21 0.00 0.00 52.86 54.06 1pla s ASN 31 Cb -0.13 -2.54 0.00 0.00 -0.55 0.00 0.00 41.25 38.02 1pla s ASN 31 CO -0.02 -0.93 0.00 -0.46 -2.79 0.00 0.00 177.10 172.89 1pla n ASN 32 N 7.04 4.93 -3.36 -4.21 6.94 -1.20 -2.56 115.26 122.84 1pla n ASN 32 Ca 0.12 0.00 0.03 0.00 -0.02 0.00 0.00 54.58 54.71 1pla n ASN 32 Cb 0.47 0.88 -0.05 0.00 -2.36 0.00 0.00 39.78 38.72 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 -1.97 -3.00 0.00 -2.53 0.00 -1.01 -4.99 121.76 108.26 1pla s ALA 33 Ca 0.00 1.89 0.00 0.00 0.00 0.00 0.00 51.96 53.85 1pla s ALA 33 Cb 0.00 -2.15 0.00 0.00 0.00 0.00 0.00 23.12 20.97 1pla s ALA 33 CO 0.00 -0.75 0.00 0.41 0.00 0.00 0.00 175.76 175.42 1pla n GLY 34 N 4.12 0.66 3.92 0.00 0.00 -1.26 -3.93 105.19 108.70 1pla n GLY 34 Ca -0.10 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.66 1pla n GLY 34 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1pla s PHE 35 N -0.96 3.24 0.26 1.61 0.08 -1.26 -4.32 117.98 116.63 1pla s PHE 35 Ca 0.00 0.56 -0.30 0.00 0.12 0.00 0.00 56.93 57.32 1pla s PHE 35 Cb 0.00 -2.67 -0.09 0.00 -0.57 0.00 0.00 43.02 39.69 1pla s PHE 35 CO 0.00 -0.75 1.02 -1.25 -0.10 0.00 0.00 175.22 174.14 1pla s PRO 36 N -4.92 4.74 0.28 0.24 0.04 -1.26 -5.04 135.00 129.09 1pla s PRO 36 Ca 0.53 1.64 0.08 0.00 0.04 0.00 0.00 61.00 63.29 1pla s PRO 36 Cb -0.10 -3.22 -0.04 0.00 0.04 0.00 0.00 34.50 31.18 1pla s PRO 36 CO 0.44 0.36 0.16 -1.01 0.04 0.00 0.00 177.00 176.99 1pla s HIS 37 N -1.18 2.94 0.17 0.56 3.76 -1.06 -4.88 115.29 115.60 1pla s HIS 37 Ca 0.43 -0.19 -0.15 0.00 -0.15 0.00 0.00 55.06 54.99 1pla s HIS 37 Cb -0.29 -1.44 0.02 0.00 1.11 0.00 0.00 32.58 31.99 1pla s HIS 37 CO 0.36 0.47 0.44 0.54 -0.85 0.00 0.00 174.74 175.71 1pla s ASN 38 N -3.83 -0.20 -0.07 1.40 4.22 -1.26 -2.55 114.94 112.66 1pla s ASN 38 Ca 0.34 -0.50 -0.00 0.00 -2.14 0.00 0.00 52.86 50.57 1pla s ASN 38 Cb -0.07 0.52 0.02 0.00 1.28 0.00 0.00 41.25 43.00 1pla s ASN 38 CO 0.24 -0.96 -0.04 -0.63 -2.04 0.00 0.00 177.10 173.68 1pla s ILE 39 N -3.87 0.58 0.00 0.54 1.09 -1.26 -4.32 121.20 113.97 1pla s ILE 39 Ca 0.08 -0.07 0.01 0.00 -1.10 0.00 0.00 60.65 59.57 1pla s ILE 39 Cb 0.01 -0.65 -0.01 0.00 -1.06 0.00 0.00 42.46 40.75 1pla s ILE 39 CO -0.05 0.27 -0.04 -0.69 -0.10 0.00 0.00 174.94 174.33 1pla s VAL 40 N 1.44 0.27 -0.16 2.92 1.01 -0.98 -0.50 120.40 124.41 1pla s VAL 40 Ca -0.02 -0.25 -0.13 0.00 0.00 0.00 0.00 61.98 61.57 1pla s VAL 40 Cb -0.13 -0.26 -0.05 0.00 0.00 0.00 0.00 36.38 35.94 1pla s VAL 40 CO -0.03 0.01 0.28 -0.36 0.00 0.00 0.00 175.10 175.00 1pla s PHE 41 N -0.25 3.47 -0.22 5.22 0.40 -1.26 -1.77 117.98 123.57 1pla s PHE 41 Ca -0.01 0.59 -0.29 0.00 -0.60 0.00 0.00 56.93 56.63 1pla s PHE 41 Cb -0.02 -2.32 -0.01 0.00 0.51 0.00 0.00 43.02 41.18 1pla s PHE 41 CO -0.00 0.27 1.37 0.34 0.70 0.00 0.00 175.22 177.90 1pla s ASP 42 N 0.36 6.72 0.00 1.36 -1.08 -0.69 -4.86 116.67 118.49 1pla s ASP 42 Ca 0.16 1.53 0.15 0.00 -0.52 0.00 0.00 52.55 53.87 1pla s ASP 42 Cb -0.13 -2.54 0.89 0.00 -1.46 0.00 0.00 42.92 39.68 1pla s ASP 42 CO 0.04 -0.98 1.30 1.21 0.52 0.00 0.00 175.17 177.26 1pla n GLU 43 N 7.10 0.48 0.00 4.34 2.13 -1.26 -2.05 120.64 131.38 1pla n GLU 43 Ca 0.15 0.00 0.11 0.00 0.66 0.00 0.00 57.16 58.08 1pla n GLU 43 Cb 0.45 -1.48 -0.02 0.00 0.27 0.00 0.00 31.44 30.66 1pla n GLU 43 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1pla n ASP 44 N -0.98 1.82 0.00 4.31 8.00 -1.26 -4.25 116.55 124.19 1pla n ASP 44 Ca 0.11 -1.41 0.00 0.00 0.71 0.00 0.00 54.79 54.21 1pla n ASP 44 Cb 0.05 0.57 0.00 0.00 -0.02 0.00 0.00 41.12 41.72 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 -0.31 0.75 -3.68 -1.24 -0.58 -0.87 -5.02 120.64 109.69 1pla n GLU 45 Ca 0.08 -0.32 -0.35 0.00 -0.42 0.00 0.00 57.16 56.16 1pla n GLU 45 Cb 0.44 -0.80 -0.05 0.00 -0.57 0.00 0.00 31.44 30.46 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 -0.20 5.21 1.05 2.62 1.01 -1.11 -4.48 120.40 124.50 1pla s VAL 46 Ca 0.00 0.29 -0.12 0.00 0.00 0.00 0.00 61.98 62.16 1pla s VAL 46 Cb 0.00 -3.60 0.22 0.00 0.00 0.00 0.00 36.38 33.00 1pla s VAL 46 CO 0.00 0.33 1.08 -2.16 0.00 0.00 0.00 175.10 174.34 1pla s PRO 47 N -1.84 -0.05 -0.15 2.72 0.04 -1.26 -4.84 135.00 129.62 1pla s PRO 47 Ca 0.30 1.14 -0.00 0.00 0.04 0.00 0.00 61.00 62.48 1pla s PRO 47 Cb -0.14 -1.63 0.11 0.00 0.04 0.00 0.00 34.50 32.89 1pla s PRO 47 CO 0.17 -3.23 1.92 0.00 0.04 0.00 0.00 177.00 175.91 1pla n ALA 48 N -4.61 4.42 0.09 8.56 0.00 -1.26 -3.92 120.51 123.80 1pla n ALA 48 Ca 0.07 -0.82 0.00 0.00 0.00 0.00 0.00 53.44 52.69 1pla n ALA 48 Cb 0.53 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.80 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 0.83 -0.18 3.51 0.00 0.00 -1.26 -4.99 105.19 103.09 1pla n GLY 49 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1pla n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pla s VAL 50 N -2.00 4.13 0.72 1.61 0.11 -1.25 -5.00 120.40 118.72 1pla s VAL 50 Ca 0.00 0.15 -0.16 0.00 -2.93 0.00 0.00 61.98 59.03 1pla s VAL 50 Cb 0.00 -4.72 -0.06 0.00 -1.53 0.00 0.00 36.38 30.07 1pla s VAL 50 CO 0.00 -1.48 0.35 0.59 -3.33 0.00 0.00 175.10 171.22 1pla n ASN 51 N 8.22 -1.88 0.00 3.54 3.02 -1.26 -4.69 115.26 122.21 1pla n ASN 51 Ca 0.01 0.57 0.10 0.00 -0.03 0.00 0.00 54.58 55.23 1pla n ASN 51 Cb 0.47 -1.14 -0.06 0.00 -0.61 0.00 0.00 39.78 38.45 1pla n ASN 51 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pla n ALA 52 N -2.30 4.53 0.96 5.41 0.00 -1.26 -4.03 120.51 123.82 1pla n ALA 52 Ca 0.09 -0.56 0.12 0.00 0.00 0.00 0.00 53.44 53.10 1pla n ALA 52 Cb 0.50 -0.83 0.31 0.00 0.00 0.00 0.00 19.45 19.43 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 -1.51 0.03 -0.29 0.00 1.02 -1.26 -2.15 120.64 116.48 1pla n GLU 53 Ca 0.04 0.01 0.05 0.00 -0.02 0.00 0.00 57.16 57.24 1pla n GLU 53 Cb 0.33 -1.52 0.18 0.00 -0.02 0.00 0.00 31.44 30.42 1pla n GLU 53 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1pla n LYS 54 N -1.56 2.27 0.00 3.49 3.00 -1.26 -4.17 118.16 119.93 1pla n LYS 54 Ca 0.06 -1.48 0.00 0.00 -0.00 0.00 0.00 58.31 56.88 1pla n LYS 54 Cb 0.35 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 33.88 1pla n LYS 54 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.40 177.84 1pla n ILE 55 N 0.54 0.00 -0.66 3.15 -5.35 -1.23 -5.09 119.36 110.71 1pla n ILE 55 Ca 0.14 0.00 -0.25 0.00 -0.27 0.00 0.00 62.75 62.36 1pla n ILE 55 Cb 0.46 0.00 0.13 0.00 -1.74 0.00 0.00 39.64 38.49 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 -0.45 -2.73 -3.48 7.28 7.64 -0.91 -4.98 113.62 115.99 1pla n SER 56 Ca 0.00 -0.22 -0.27 0.00 1.01 0.00 0.00 58.87 59.39 1pla n SER 56 Cb 0.00 -0.78 -0.10 0.00 -1.01 0.00 0.00 64.21 62.32 1pla n SER 56 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1pla n GLN 57 N -1.02 0.61 0.00 1.43 6.02 0.34 -4.93 117.38 119.84 1pla n GLN 57 Ca 0.02 -3.48 0.00 0.00 -0.01 0.00 0.00 57.00 53.54 1pla n GLN 57 Cb 0.49 -1.77 0.02 0.00 1.02 0.00 0.00 30.24 30.00 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 2.50 0.01 -3.60 -1.09 -0.02 -1.26 -4.33 135.00 127.20 1pla n PRO 58 Ca 0.27 0.38 -0.36 0.00 -2.02 0.00 0.00 63.50 61.77 1pla n PRO 58 Cb 0.46 -1.50 -0.08 0.00 -0.02 0.00 0.00 33.50 32.36 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 -2.79 4.17 0.71 -0.52 2.02 -1.26 -5.08 118.70 115.95 1pla s GLU 59 Ca 0.01 -0.08 -0.04 0.00 0.02 0.00 0.00 54.97 54.87 1pla s GLU 59 Cb 0.01 -3.48 0.09 0.00 0.10 0.00 0.00 34.13 30.85 1pla s GLU 59 CO 0.01 0.15 0.99 0.71 0.02 0.00 0.00 175.26 177.15 1pla s TYR 60 N 0.78 2.29 -0.22 1.61 1.51 -1.26 -4.82 117.35 117.24 1pla s TYR 60 Ca 0.12 0.09 -0.04 0.00 -1.01 0.00 0.00 57.07 56.23 1pla s TYR 60 Cb -0.13 -3.15 0.07 0.00 -0.11 0.00 0.00 41.96 38.65 1pla s TYR 60 CO 0.03 -1.55 0.09 -0.48 -1.11 0.00 0.00 175.55 172.53 1pla s LEU 61 N -5.19 0.77 0.00 -1.29 2.34 -1.06 -4.97 118.68 109.29 1pla s LEU 61 Ca 0.63 -0.93 0.22 0.00 0.06 0.00 0.00 54.13 54.11 1pla s LEU 61 Cb -0.08 -0.41 0.33 0.00 -0.56 0.00 0.00 46.19 45.47 1pla s LEU 61 CO 0.44 -0.37 1.31 -0.46 -1.06 0.00 0.00 176.35 176.21 1pla n ASN 62 N 5.18 3.20 -0.22 1.48 0.23 -1.26 -2.57 115.26 121.30 1pla n ASN 62 Ca -0.07 -1.95 0.00 0.00 -0.53 0.00 0.00 54.58 52.04 1pla n ASN 62 Cb 0.46 -0.17 0.00 0.00 -2.08 0.00 0.00 39.78 37.99 1pla n ASN 62 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1pla n GLY 63 N 1.34 -2.33 3.13 4.83 0.00 -1.26 -4.86 105.19 106.04 1pla n GLY 63 Ca 0.17 -0.98 0.03 0.00 0.00 0.00 0.00 46.02 45.23 1pla n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pla s ALA 64 N -2.58 -2.31 0.00 4.61 0.00 -1.26 -4.89 121.76 115.32 1pla s ALA 64 Ca 0.00 0.97 0.00 0.00 0.00 0.00 0.00 51.96 52.93 1pla s ALA 64 Cb 0.00 -2.51 0.00 0.00 0.00 0.00 0.00 23.12 20.61 1pla s ALA 64 CO 0.00 -1.84 0.00 0.41 0.00 0.00 0.00 175.76 174.33 1pla n GLY 65 N 5.38 0.58 3.71 0.00 0.00 -1.06 -5.06 105.19 108.73 1pla n GLY 65 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.78 1.54 0.05 1.61 0.41 -1.26 -4.54 118.70 115.72 1pla s GLU 66 Ca 0.00 1.51 -0.10 0.00 -0.41 0.00 0.00 54.97 55.97 1pla s GLU 66 Cb 0.00 -1.79 0.01 0.00 -1.78 0.00 0.00 34.13 30.57 1pla s GLU 66 CO 0.00 -2.24 0.21 0.95 -0.49 0.00 0.00 175.26 173.70 1pla s THR 67 N -2.57 0.11 0.05 3.63 -4.23 -1.26 -1.65 115.64 109.73 1pla s THR 67 Ca 0.67 -0.89 0.01 0.00 -1.18 0.00 0.00 61.69 60.30 1pla s THR 67 Cb -0.23 -0.97 -0.03 0.00 1.34 0.00 0.00 72.50 72.61 1pla s THR 67 CO 0.55 -0.49 -0.06 -0.47 -0.54 0.00 0.00 174.62 173.60 1pla s TYR 68 N -2.73 0.65 0.09 3.99 6.14 -0.94 -4.95 117.35 119.60 1pla s TYR 68 Ca -0.04 -0.67 0.07 0.00 0.64 0.00 0.00 57.07 57.08 1pla s TYR 68 Cb -0.00 -0.40 -0.04 0.00 0.42 0.00 0.00 41.96 41.94 1pla s TYR 68 CO -0.05 -0.15 -0.11 -1.21 0.64 0.00 0.00 175.55 174.67 1pla s GLU 69 N -2.36 2.11 -0.09 4.97 2.02 -1.26 -0.55 118.70 123.54 1pla s GLU 69 Ca -0.04 -1.02 -0.04 0.00 0.02 0.00 0.00 54.97 53.90 1pla s GLU 69 Cb -0.04 -2.29 0.05 0.00 0.10 0.00 0.00 34.13 31.95 1pla s GLU 69 CO -0.02 0.51 0.19 0.08 0.02 0.00 0.00 175.26 176.04 1pla s VAL 70 N -1.17 -0.15 -0.35 2.63 1.01 -0.70 -4.95 120.40 116.72 1pla s VAL 70 Ca 0.20 0.23 0.03 0.00 0.00 0.00 0.00 61.98 62.45 1pla s VAL 70 Cb -0.11 -0.31 0.10 0.00 0.00 0.00 0.00 36.38 36.06 1pla s VAL 70 CO 0.12 0.10 0.07 -0.89 0.00 0.00 0.00 175.10 174.49 1pla s THR 71 N 1.66 2.39 0.65 3.92 2.01 -1.26 -1.02 115.64 123.99 1pla s THR 71 Ca -0.05 -2.31 -0.11 0.00 0.31 0.00 0.00 61.69 59.53 1pla s THR 71 Cb -0.11 -2.75 -0.02 0.00 0.01 0.00 0.00 72.50 69.62 1pla s THR 71 CO -0.07 -0.60 1.05 -0.76 -0.69 0.00 0.00 174.62 173.55 1pla s LEU 72 N 0.93 3.12 -0.35 4.42 1.43 -1.26 -5.02 118.68 121.95 1pla s LEU 72 Ca 0.10 1.36 0.14 0.00 -1.03 0.00 0.00 54.13 54.70 1pla s LEU 72 Cb -0.19 -4.32 0.43 0.00 0.03 0.00 0.00 46.19 42.14 1pla s LEU 72 CO -0.08 -1.06 1.18 0.35 0.23 0.00 0.00 176.35 176.98 1pla n THR 73 N -2.86 0.51 -3.38 5.49 -2.24 -1.26 -4.17 114.28 106.37 1pla n THR 73 Ca 0.06 -2.22 -0.16 0.00 -2.27 0.00 0.00 64.05 59.46 1pla n THR 73 Cb 0.55 0.88 -0.09 0.00 -2.10 0.00 0.00 70.33 69.57 1pla n THR 73 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1pla s GLU 74 N -1.50 0.40 -0.55 -0.78 0.41 -1.26 -5.08 118.70 110.33 1pla s GLU 74 Ca 0.24 -0.23 -0.39 0.00 -0.41 0.00 0.00 54.97 54.18 1pla s GLU 74 Cb 0.42 -0.61 -0.17 0.00 -1.78 0.00 0.00 34.13 31.99 1pla s GLU 74 CO -0.03 -1.06 2.26 0.36 -0.49 0.00 0.00 175.26 176.30 1pla n LYS 75 N 5.13 0.32 0.00 1.61 2.85 -1.26 -4.57 118.16 122.24 1pla n LYS 75 Ca 0.01 0.08 0.00 0.00 -1.05 0.00 0.00 58.31 57.34 1pla n LYS 75 Cb 0.47 -1.83 0.00 0.00 -0.65 0.00 0.00 35.03 33.02 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 7.01 -0.94 3.02 2.58 0.00 -0.78 -4.94 105.19 111.14 1pla n GLY 76 Ca 0.53 -0.07 -0.13 0.00 0.00 0.00 0.00 46.02 46.35 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 -4.00 -0.02 -0.02 2.61 -4.23 -1.26 -1.81 115.64 106.90 1pla s THR 77 Ca 0.00 0.06 0.04 0.00 -1.18 0.00 0.00 61.69 60.61 1pla s THR 77 Cb 0.00 -0.25 -0.01 0.00 1.34 0.00 0.00 72.50 73.58 1pla s THR 77 CO 0.00 0.02 -0.14 -0.31 -0.54 0.00 0.00 174.62 173.65 1pla s TYR 78 N 0.46 1.34 -0.31 3.99 1.51 -0.97 -4.47 117.35 118.90 1pla s TYR 78 Ca -0.03 -0.31 -0.01 0.00 -1.01 0.00 0.00 57.07 55.70 1pla s TYR 78 Cb -0.04 -0.89 0.06 0.00 -0.11 0.00 0.00 41.96 40.97 1pla s TYR 78 CO -0.02 -0.08 0.01 0.15 -1.11 0.00 0.00 175.55 174.49 1pla s LYS 79 N -0.10 2.33 0.43 -0.62 3.01 -1.26 -1.76 119.74 121.77 1pla s LYS 79 Ca 0.01 -1.35 0.07 0.00 -1.01 0.00 0.00 55.97 53.69 1pla s LYS 79 Cb -0.08 -3.19 -0.03 0.00 -1.01 0.00 0.00 37.83 33.53 1pla s LYS 79 CO 0.00 -0.67 0.31 -0.59 0.51 0.00 0.00 175.35 174.91 1pla s PHE 80 N 1.21 2.55 0.12 3.18 -0.71 0.13 -1.70 117.98 122.76 1pla s PHE 80 Ca -0.04 -0.57 -0.24 0.00 -1.04 0.00 0.00 56.93 55.05 1pla s PHE 80 Cb -0.20 -2.06 0.08 0.00 -1.21 0.00 0.00 43.02 39.63 1pla s PHE 80 CO -0.02 -0.04 1.12 1.52 -1.34 0.00 0.00 175.22 176.46 1pla s TYR 81 N -2.55 0.07 -0.20 3.49 1.13 -0.73 0.21 117.35 118.76 1pla s TYR 81 Ca 0.44 -0.38 -0.05 0.00 -1.41 0.00 0.00 57.07 55.67 1pla s TYR 81 Cb -0.00 0.66 -0.02 0.00 -1.10 0.00 0.00 41.96 41.49 1pla s TYR 81 CO 0.25 -0.71 -0.01 0.00 -2.51 0.00 0.00 175.55 172.57 1pla h GLU 83 N 7.51 0.94 0.06 0.00 5.08 -1.89 -1.80 114.58 124.47 1pla h GLU 83 Ca -0.36 -0.42 -0.00 0.00 -1.00 0.00 0.00 59.36 57.58 1pla h GLU 83 Cb 1.18 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1pla h GLU 83 CO 0.61 1.08 -0.03 -1.00 -1.00 0.00 0.00 179.01 178.67 1pla h PRO 84 N 0.80 -0.07 -0.04 2.33 0.14 -1.95 -3.19 132.00 130.02 1pla h PRO 84 Ca 0.10 0.00 0.00 0.00 0.14 0.00 0.00 66.00 66.24 1pla h PRO 84 Cb 0.83 0.02 0.00 0.00 0.14 0.00 0.00 31.00 31.98 1pla h PRO 84 CO 0.07 0.51 0.00 0.72 0.14 0.00 0.00 178.00 179.44 1pla n HIS 85 N -4.82 0.06 0.29 1.56 8.25 -1.25 -3.70 115.22 115.62 1pla n HIS 85 Ca -0.08 -0.03 0.16 0.00 -0.26 0.00 0.00 57.72 57.50 1pla n HIS 85 Cb 0.31 0.00 0.74 0.00 1.12 0.00 0.00 29.99 32.16 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 3.24 1.00 0.00 -1.41 0.00 -1.31 -1.75 119.26 119.04 1pla h ALA 86 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1pla h ALA 86 Cb 0.07 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1pla h ALA 86 CO 0.00 0.00 -0.08 0.78 0.00 0.00 0.00 179.25 179.95 1pla h GLY 87 N 1.07 0.00 0.43 0.00 0.00 -1.80 -2.91 103.07 99.86 1pla h GLY 87 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 46.96 1pla h GLY 87 CO 0.00 0.00 -2.14 0.00 0.00 0.00 0.00 176.54 174.40 1pla n ALA 88 N -2.21 1.06 0.00 3.60 0.00 -0.66 -4.98 120.51 117.32 1pla n ALA 88 Ca -0.02 -0.75 0.00 0.00 0.00 0.00 0.00 53.44 52.68 1pla n ALA 88 Cb 0.22 -0.51 0.00 0.00 0.00 0.00 0.00 19.45 19.16 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 2.07 0.44 3.58 0.00 0.00 -1.10 -5.09 105.19 105.09 1pla n GLY 89 Ca -0.36 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.25 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 0.00 3.04 0.24 1.61 0.00 -1.19 -4.92 119.30 118.08 1pla s MET 90 Ca 0.00 1.18 0.01 0.00 0.00 0.00 0.00 55.69 56.88 1pla s MET 90 Cb 0.00 -4.28 -0.05 0.00 0.00 0.00 0.00 34.83 30.50 1pla s MET 90 CO 0.00 -2.22 0.09 -1.59 0.00 0.00 0.00 175.02 171.30 1pla s LYS 91 N 6.25 1.36 -0.01 4.11 -2.85 -1.26 -2.69 119.74 124.65 1pla s LYS 91 Ca 0.77 -1.73 -0.16 0.00 -1.00 0.00 0.00 55.97 53.85 1pla s LYS 91 Cb -0.19 -0.20 0.03 0.00 -2.06 0.00 0.00 37.83 35.41 1pla s LYS 91 CO 0.29 -0.29 0.34 0.20 0.10 0.00 0.00 175.35 175.99 1pla s GLY 92 N -3.28 -0.19 -0.09 0.59 0.00 0.55 -4.18 107.32 100.71 1pla s GLY 92 Ca 0.37 0.40 -0.14 0.00 0.00 0.00 0.00 44.72 45.35 1pla s GLY 92 CO 0.13 0.18 0.35 1.85 0.00 0.00 0.00 173.10 175.61 1pla s GLU 93 N -1.36 0.52 -0.04 2.90 2.12 -1.00 0.17 118.70 122.01 1pla s GLU 93 Ca -0.13 0.27 -0.01 0.00 0.36 0.00 0.00 54.97 55.45 1pla s GLU 93 Cb -0.05 0.24 0.03 0.00 0.26 0.00 0.00 34.13 34.62 1pla s GLU 93 CO 0.05 -0.10 0.07 0.54 -0.54 0.00 0.00 175.26 175.28 1pla s VAL 94 N -0.34 -0.09 -0.46 3.70 0.11 -0.72 -2.41 120.40 120.18 1pla s VAL 94 Ca -0.05 0.28 -0.12 0.00 -2.93 0.00 0.00 61.98 59.16 1pla s VAL 94 Cb -0.03 -0.15 0.09 0.00 -1.53 0.00 0.00 36.38 34.76 1pla s VAL 94 CO 0.02 0.12 0.36 -0.89 -3.33 0.00 0.00 175.10 171.37 1pla s THR 95 N 1.51 4.71 0.30 5.04 2.01 -0.96 -2.30 115.64 125.96 1pla s THR 95 Ca -0.04 -1.37 -0.27 0.00 0.31 0.00 0.00 61.69 60.32 1pla s THR 95 Cb -0.12 -3.92 -0.10 0.00 0.01 0.00 0.00 72.50 68.37 1pla s THR 95 CO -0.04 -0.63 0.95 -0.69 -0.69 0.00 0.00 174.62 173.52 1pla s VAL 96 N 1.51 4.12 0.00 3.82 1.01 -0.75 -1.51 120.40 128.60 1pla s VAL 96 Ca 0.04 1.86 0.00 0.00 0.00 0.00 0.00 61.98 63.88 1pla s VAL 96 Cb -0.25 -4.08 0.00 0.00 0.00 0.00 0.00 36.38 32.05 1pla s VAL 96 CO 0.03 0.24 0.17 -3.20 0.00 0.00 0.00 175.10 172.34