#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 3.49 -0.24 0.00 2.02 -1.26 -2.36 118.70 120.35 1pla s GLU 2 Ca 0.00 -0.58 -0.06 0.00 0.02 0.00 0.00 54.97 54.35 1pla s GLU 2 Cb 0.00 -3.27 -0.02 0.00 0.10 0.00 0.00 34.13 30.93 1pla s GLU 2 CO 0.00 -0.24 0.03 0.08 0.02 0.00 0.00 175.26 175.15 1pla s VAL 3 N 1.57 3.98 -0.32 2.63 1.01 -0.81 -4.43 120.40 124.02 1pla s VAL 3 Ca 0.06 -0.29 -0.17 0.00 0.00 0.00 0.00 61.98 61.58 1pla s VAL 3 Cb -0.15 -2.84 -0.02 0.00 0.00 0.00 0.00 36.38 33.37 1pla s VAL 3 CO 0.02 0.37 0.44 -0.54 0.00 0.00 0.00 175.10 175.39 1pla s LYS 4 N 1.57 3.72 -0.36 2.72 1.02 0.13 0.11 119.74 128.65 1pla s LYS 4 Ca 0.06 -0.15 -0.29 0.00 0.02 0.00 0.00 55.97 55.61 1pla s LYS 4 Cb -0.15 -3.76 0.01 0.00 -0.52 0.00 0.00 37.83 33.41 1pla s LYS 4 CO 0.01 -0.51 1.25 -0.51 -0.92 0.00 0.00 175.35 174.68 1pla s LEU 5 N 2.21 3.79 0.00 3.17 1.43 0.76 -2.67 118.68 127.37 1pla s LEU 5 Ca 0.16 0.96 0.00 0.00 -1.03 0.00 0.00 54.13 54.22 1pla s LEU 5 Cb -0.16 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.52 1pla s LEU 5 CO 0.12 -1.15 0.00 0.61 0.23 0.00 0.00 176.35 176.16 1pla n GLY 6 N 4.49 1.97 3.44 -3.19 0.00 -1.08 -2.24 105.19 108.58 1pla n GLY 6 Ca 0.14 -1.42 -0.27 0.00 0.00 0.00 0.00 46.02 44.47 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 -0.61 0.13 1.61 3.41 0.67 -4.47 113.62 114.37 1pla n SER 7 Ca 0.00 -1.33 -0.09 0.00 -0.26 0.00 0.00 58.87 57.19 1pla n SER 7 Cb 0.00 -0.93 -0.05 0.00 -0.26 0.00 0.00 64.21 62.97 1pla n SER 7 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1pla h ASP 8 N -1.93 -0.35 -0.32 4.04 5.19 -1.94 -3.33 116.42 117.77 1pla h ASP 8 Ca -0.39 -0.11 0.07 0.00 -0.62 0.00 0.00 57.03 55.99 1pla h ASP 8 Cb 1.11 0.09 -0.08 0.00 0.18 0.00 0.00 39.33 40.63 1pla h ASP 8 CO 0.27 0.12 -0.27 -2.24 -3.12 0.00 0.00 179.24 174.00 1pla h ASP 9 N -1.04 -0.88 0.00 6.45 2.03 -1.99 -3.44 116.42 117.54 1pla h ASP 9 Ca -0.04 0.16 0.00 0.00 -0.73 0.00 0.00 57.03 56.42 1pla h ASP 9 Cb 0.44 0.42 0.00 0.00 -0.83 0.00 0.00 39.33 39.36 1pla h ASP 9 CO 0.07 -0.29 0.00 0.61 -1.03 0.00 0.00 179.24 178.60 1pla n GLY 10 N -1.40 -0.09 3.78 7.15 0.00 -1.25 -5.15 105.19 108.22 1pla n GLY 10 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1pla n GLY 10 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pla s GLY 11 N 0.00 1.65 -0.45 -0.02 0.00 -1.26 -4.78 107.32 102.46 1pla s GLY 11 Ca 0.00 0.03 0.01 0.00 0.00 0.00 0.00 44.72 44.76 1pla s GLY 11 CO 0.00 0.42 0.21 1.08 0.00 0.00 0.00 173.10 174.80 1pla s LEU 12 N -5.85 4.88 0.05 0.66 1.43 -1.26 -0.24 118.68 118.36 1pla s LEU 12 Ca 0.61 -2.43 -0.15 0.00 -1.03 0.00 0.00 54.13 51.12 1pla s LEU 12 Cb -0.16 -1.73 0.02 0.00 0.03 0.00 0.00 46.19 44.36 1pla s LEU 12 CO 0.55 -0.39 0.34 0.68 0.23 0.00 0.00 176.35 177.76 1pla s VAL 13 N 0.54 0.08 -0.44 -1.59 -7.23 -1.26 -4.38 120.40 106.11 1pla s VAL 13 Ca 0.13 -0.62 -0.29 0.00 -1.81 0.00 0.00 61.98 59.39 1pla s VAL 13 Cb -0.22 -0.96 0.02 0.00 0.56 0.00 0.00 36.38 35.78 1pla s VAL 13 CO -0.04 -0.34 1.23 -0.36 -0.31 0.00 0.00 175.10 175.27 1pla s PHE 14 N -2.62 2.70 -0.31 2.82 0.40 -1.26 -2.63 117.98 117.08 1pla s PHE 14 Ca -0.04 0.73 -0.03 0.00 -0.60 0.00 0.00 56.93 56.98 1pla s PHE 14 Cb -0.01 -4.35 0.05 0.00 0.51 0.00 0.00 43.02 39.22 1pla s PHE 14 CO -0.04 -1.49 0.03 -1.12 0.70 0.00 0.00 175.22 173.30 1pla s SER 15 N 2.89 4.99 1.06 1.36 0.01 -1.09 -0.18 113.70 122.75 1pla s SER 15 Ca 0.52 -1.23 -0.13 0.00 1.31 0.00 0.00 55.95 56.42 1pla s SER 15 Cb -0.10 -1.75 0.22 0.00 0.21 0.00 0.00 66.02 64.61 1pla s SER 15 CO 0.31 -0.27 1.07 -2.16 0.41 0.00 0.00 173.24 172.60 1pla s PRO 16 N 1.29 -0.09 0.00 12.44 0.05 -1.26 0.18 135.00 147.61 1pla s PRO 16 Ca -0.04 0.54 0.00 0.00 0.05 0.00 0.00 61.00 61.55 1pla s PRO 16 Cb -0.20 -1.67 0.00 0.00 0.05 0.00 0.00 34.50 32.68 1pla s PRO 16 CO -0.00 -3.09 0.00 0.43 0.05 0.00 0.00 177.00 174.39 1pla n SER 17 N -4.43 0.00 -4.54 6.66 7.64 0.75 -4.88 113.62 114.82 1pla n SER 17 Ca 0.05 0.14 -0.34 0.00 1.01 0.00 0.00 58.87 59.73 1pla n SER 17 Cb 0.57 -0.47 -0.11 0.00 -1.01 0.00 0.00 64.21 63.19 1pla n SER 17 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1pla s SER 18 N -3.53 5.04 -0.15 6.43 0.15 -1.26 -1.97 113.70 118.41 1pla s SER 18 Ca 0.00 -0.07 -0.24 0.00 0.70 0.00 0.00 55.95 56.34 1pla s SER 18 Cb 0.00 -1.84 0.06 0.00 -1.71 0.00 0.00 66.02 62.53 1pla s SER 18 CO 0.00 0.17 0.60 0.72 1.20 0.00 0.00 173.24 175.93 1pla s PHE 19 N 0.40 -0.62 0.48 3.44 -0.71 -1.02 -4.99 117.98 114.96 1pla s PHE 19 Ca -0.02 1.35 -0.10 0.00 -1.04 0.00 0.00 56.93 57.12 1pla s PHE 19 Cb -0.14 0.27 -0.05 0.00 -1.21 0.00 0.00 43.02 41.89 1pla s PHE 19 CO 0.02 -0.42 0.85 0.99 -1.34 0.00 0.00 175.22 175.32 1pla s THR 20 N -0.31 4.77 0.22 -4.49 2.01 -1.26 -1.68 115.64 114.89 1pla s THR 20 Ca -0.05 0.65 -0.12 0.00 0.31 0.00 0.00 61.69 62.48 1pla s THR 20 Cb -0.03 -3.79 -0.00 0.00 0.01 0.00 0.00 72.50 68.69 1pla s THR 20 CO 0.04 -0.75 0.42 0.68 -0.69 0.00 0.00 174.62 174.33 1pla s VAL 21 N -2.65 0.02 0.23 3.82 -7.23 -0.12 -4.83 120.40 109.63 1pla s VAL 21 Ca 0.52 -1.36 -0.12 0.00 -1.81 0.00 0.00 61.98 59.21 1pla s VAL 21 Cb -0.10 -2.06 -0.08 0.00 0.56 0.00 0.00 36.38 34.70 1pla s VAL 21 CO 0.39 -0.08 0.60 0.00 -0.31 0.00 0.00 175.10 175.70 1pla s ALA 22 N -4.00 3.51 -0.79 1.32 0.00 -1.26 -1.61 121.76 118.93 1pla s ALA 22 Ca 0.21 -0.15 -0.24 0.00 0.00 0.00 0.00 51.96 51.77 1pla s ALA 22 Cb 0.01 -2.54 -0.18 0.00 0.00 0.00 0.00 23.12 20.40 1pla s ALA 22 CO 0.06 0.45 1.89 0.00 0.00 0.00 0.00 175.76 178.16 1pla n ALA 23 N 0.06 2.28 0.00 0.00 0.00 -0.98 -1.94 120.51 119.92 1pla n ALA 23 Ca -0.00 -3.06 0.00 0.00 0.00 0.00 0.00 53.44 50.38 1pla n ALA 23 Cb 0.52 -3.59 0.00 0.00 0.00 0.00 0.00 19.45 16.38 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 5.07 -0.07 3.93 0.00 0.00 -1.24 -4.90 105.19 107.98 1pla n GLY 24 Ca 0.47 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.22 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 3.50 -0.18 1.61 2.56 -0.82 -5.07 118.70 120.30 1pla s GLU 25 Ca 0.00 -0.40 -0.15 0.00 0.00 0.00 0.00 54.97 54.42 1pla s GLU 25 Cb 0.00 -2.89 -0.04 0.00 2.00 0.00 0.00 34.13 33.20 1pla s GLU 25 CO 0.00 0.45 0.35 0.15 -0.56 0.00 0.00 175.26 175.65 1pla s LYS 26 N -3.19 4.22 -0.43 4.30 1.02 -1.26 -4.37 119.74 120.02 1pla s LYS 26 Ca 0.37 0.15 -0.09 0.00 0.02 0.00 0.00 55.97 56.43 1pla s LYS 26 Cb -0.11 -3.49 0.09 0.00 -0.52 0.00 0.00 37.83 33.80 1pla s LYS 26 CO 0.28 0.09 0.28 0.42 -0.92 0.00 0.00 175.35 175.50 1pla s ILE 27 N 0.91 4.15 -0.34 2.17 1.01 0.62 -2.76 121.20 126.96 1pla s ILE 27 Ca 0.18 -1.55 -0.12 0.00 0.00 0.00 0.00 60.65 59.16 1pla s ILE 27 Cb -0.14 -3.61 -0.01 0.00 0.01 0.00 0.00 42.46 38.71 1pla s ILE 27 CO 0.06 -0.59 0.22 0.42 0.00 0.00 0.00 174.94 175.06 1pla s THR 28 N 1.39 5.13 -0.46 2.92 -4.23 -1.00 -1.16 115.64 118.22 1pla s THR 28 Ca 0.04 -0.29 -0.25 0.00 -1.18 0.00 0.00 61.69 60.01 1pla s THR 28 Cb -0.24 -3.64 0.03 0.00 1.34 0.00 0.00 72.50 69.99 1pla s THR 28 CO 0.01 -0.01 0.91 -0.36 -0.54 0.00 0.00 174.62 174.63 1pla s PHE 29 N 1.69 2.92 -0.11 3.99 0.08 -0.48 -1.92 117.98 124.15 1pla s PHE 29 Ca 0.06 0.34 -0.04 0.00 0.12 0.00 0.00 56.93 57.41 1pla s PHE 29 Cb -0.17 -3.95 -0.03 0.00 -0.57 0.00 0.00 43.02 38.29 1pla s PHE 29 CO 0.10 -1.10 0.03 0.21 -0.10 0.00 0.00 175.22 174.35 1pla s LYS 30 N 3.72 3.25 -0.37 0.44 2.20 0.12 -2.11 119.74 126.99 1pla s LYS 30 Ca 0.36 -0.37 -0.29 0.00 -0.36 0.00 0.00 55.97 55.31 1pla s LYS 30 Cb -0.10 -2.92 0.02 0.00 -1.51 0.00 0.00 37.83 33.31 1pla s LYS 30 CO 0.26 0.61 1.12 -0.80 -0.36 0.00 0.00 175.35 176.18 1pla s ASN 31 N -0.62 6.81 -0.17 1.43 0.02 -1.01 -0.17 114.94 121.23 1pla s ASN 31 Ca 0.11 0.87 0.15 0.00 -1.02 0.00 0.00 52.86 52.96 1pla s ASN 31 Cb -0.12 -2.55 -0.24 0.00 0.02 0.00 0.00 41.25 38.37 1pla s ASN 31 CO 0.02 -1.03 0.18 -3.20 0.02 0.00 0.00 177.10 173.09 1pla n ASN 32 N 7.27 0.39 0.00 -1.22 5.15 -0.95 -3.50 115.26 122.41 1pla n ASN 32 Ca 0.12 0.08 0.00 0.00 -0.60 0.00 0.00 54.58 54.18 1pla n ASN 32 Cb 0.48 0.62 0.00 0.00 -0.53 0.00 0.00 39.78 40.35 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 -2.76 0.00 0.00 5.20 0.00 -1.14 -5.00 120.51 116.82 1pla n ALA 33 Ca -0.31 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.13 1pla n ALA 33 Cb 1.12 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.57 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 -0.95 3.40 0.00 0.00 -1.26 -4.39 105.19 101.98 1pla n GLY 34 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1pla n GLY 34 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1pla n PHE 35 N 0.00 -1.29 -2.62 1.61 -1.74 -1.26 -4.58 117.46 107.58 1pla n PHE 35 Ca 0.00 0.20 -0.39 0.00 -0.56 0.00 0.00 57.45 56.70 1pla n PHE 35 Cb 0.00 -1.73 -0.05 0.00 1.52 0.00 0.00 39.48 39.22 1pla n PHE 35 CO 0.00 0.00 0.00 -1.25 -0.56 0.00 0.00 176.76 174.95 1pla s PRO 36 N -3.68 4.65 0.55 3.97 0.04 -1.26 -5.09 135.00 134.18 1pla s PRO 36 Ca 0.58 1.60 0.07 0.00 0.04 0.00 0.00 61.00 63.29 1pla s PRO 36 Cb -0.19 -3.09 0.05 0.00 0.04 0.00 0.00 34.50 31.31 1pla s PRO 36 CO 0.66 0.28 0.50 -1.01 0.04 0.00 0.00 177.00 177.48 1pla s HIS 37 N -1.28 1.61 -0.24 0.56 3.76 -0.94 -4.92 115.29 113.84 1pla s HIS 37 Ca 0.46 -0.80 -0.22 0.00 -0.15 0.00 0.00 55.06 54.34 1pla s HIS 37 Cb -0.27 -2.00 0.06 0.00 1.11 0.00 0.00 32.58 31.48 1pla s HIS 37 CO 0.34 -0.64 0.65 1.21 -0.85 0.00 0.00 174.74 175.46 1pla s ASN 38 N -4.37 -0.68 -0.18 1.40 2.47 -1.26 -2.80 114.94 109.52 1pla s ASN 38 Ca 0.42 1.31 -0.00 0.00 0.42 0.00 0.00 52.86 55.01 1pla s ASN 38 Cb -0.03 1.33 0.04 0.00 -1.45 0.00 0.00 41.25 41.14 1pla s ASN 38 CO 0.26 -0.23 -0.06 -0.63 -3.72 0.00 0.00 177.10 172.72 1pla s ILE 39 N 0.39 1.22 -0.04 -5.21 1.09 -1.26 -3.94 121.20 113.45 1pla s ILE 39 Ca -0.00 -0.73 0.03 0.00 -1.10 0.00 0.00 60.65 58.84 1pla s ILE 39 Cb -0.05 -1.39 0.00 0.00 -1.06 0.00 0.00 42.46 39.97 1pla s ILE 39 CO 0.00 0.12 -0.12 -0.69 -0.10 0.00 0.00 174.94 174.16 1pla s VAL 40 N 1.58 1.00 -0.09 2.92 1.01 -0.83 0.83 120.40 126.82 1pla s VAL 40 Ca -0.00 -0.46 -0.23 0.00 0.00 0.00 0.00 61.98 61.29 1pla s VAL 40 Cb -0.16 -0.89 -0.03 0.00 0.00 0.00 0.00 36.38 35.30 1pla s VAL 40 CO -0.08 0.31 0.68 -0.36 0.00 0.00 0.00 175.10 175.65 1pla s PHE 41 N 0.26 3.55 -0.73 5.22 0.40 -1.26 -2.28 117.98 123.14 1pla s PHE 41 Ca -0.05 1.20 -0.26 0.00 -0.60 0.00 0.00 56.93 57.22 1pla s PHE 41 Cb -0.11 -2.79 -0.07 0.00 0.51 0.00 0.00 43.02 40.56 1pla s PHE 41 CO 0.01 0.06 2.12 0.34 0.70 0.00 0.00 175.22 178.45 1pla s ASP 42 N 0.83 4.74 0.00 1.36 2.15 0.83 -4.75 116.67 121.84 1pla s ASP 42 Ca 0.36 0.06 0.00 0.00 0.43 0.00 0.00 52.55 53.40 1pla s ASP 42 Cb -0.17 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 39.91 1pla s ASP 42 CO 0.17 -2.96 0.18 -1.84 -0.17 0.00 0.00 175.17 170.55 1pla n GLU 43 N 8.96 0.00 -0.01 4.34 0.28 -1.26 -2.33 120.64 130.62 1pla n GLU 43 Ca 0.36 0.00 -0.00 0.00 -0.16 0.00 0.00 57.16 57.36 1pla n GLU 43 Cb 0.49 -1.23 -0.00 0.00 1.43 0.00 0.00 31.44 32.12 1pla n GLU 43 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 1pla h ASP 44 N 0.00 0.00 -0.75 -1.84 3.32 -1.93 -3.39 116.42 111.82 1pla h ASP 44 Ca 0.00 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.78 1pla h ASP 44 Cb 0.00 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 39.39 1pla h ASP 44 CO 0.00 0.10 0.34 -0.62 -1.72 0.00 0.00 179.24 177.34 1pla n GLU 45 N -2.56 3.28 -3.11 3.56 -0.58 -0.99 -4.95 120.64 115.31 1pla n GLU 45 Ca -0.00 -2.86 -0.30 0.00 -0.42 0.00 0.00 57.16 53.58 1pla n GLU 45 Cb 0.01 -2.15 -0.03 0.00 -0.57 0.00 0.00 31.44 28.70 1pla n GLU 45 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1pla s VAL 46 N -2.87 4.90 0.41 2.62 0.11 -1.12 -4.49 120.40 119.96 1pla s VAL 46 Ca 0.52 0.36 -0.24 0.00 -2.93 0.00 0.00 61.98 59.69 1pla s VAL 46 Cb 0.42 -3.72 -0.11 0.00 -1.53 0.00 0.00 36.38 31.43 1pla s VAL 46 CO 0.12 -0.40 0.91 -2.65 -3.33 0.00 0.00 175.10 169.75 1pla n PRO 47 N -1.06 1.15 -1.67 1.54 -0.01 -1.26 -4.81 135.00 128.88 1pla n PRO 47 Ca 0.00 0.41 -0.42 0.00 -0.01 0.00 0.00 63.50 63.49 1pla n PRO 47 Cb 0.54 -1.91 -0.00 0.00 -0.01 0.00 0.00 33.50 32.12 1pla n PRO 47 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 1pla n ALA 48 N -0.55 5.55 0.00 3.55 0.00 -1.26 -3.33 120.51 124.46 1pla n ALA 48 Ca 0.10 -3.82 0.00 0.00 0.00 0.00 0.00 53.44 49.72 1pla n ALA 48 Cb 0.39 -3.53 0.00 0.00 0.00 0.00 0.00 19.45 16.30 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 4.09 -0.04 3.52 0.00 0.00 -1.26 -5.04 105.19 106.46 1pla n GLY 49 Ca 0.53 -0.01 -0.43 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 4.43 0.27 1.61 1.01 -1.21 -4.98 120.40 121.54 1pla s VAL 50 Ca 0.00 -1.86 -0.27 0.00 0.00 0.00 0.00 61.98 59.85 1pla s VAL 50 Cb 0.00 -5.03 -0.15 0.00 0.00 0.00 0.00 36.38 31.20 1pla s VAL 50 CO 0.00 -1.82 0.71 0.59 0.00 0.00 0.00 175.10 174.58 1pla n ASN 51 N 7.43 -0.23 0.18 3.32 4.13 -1.26 -4.77 115.26 124.04 1pla n ASN 51 Ca 0.39 1.11 0.04 0.00 1.68 0.00 0.00 54.58 57.81 1pla n ASN 51 Cb 0.46 -1.10 0.27 0.00 -1.54 0.00 0.00 39.78 37.88 1pla n ASN 51 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1pla h ALA 52 N 1.35 0.93 0.00 5.41 0.00 -1.93 -2.86 119.26 122.17 1pla h ALA 52 Ca -0.34 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.18 1pla h ALA 52 Cb 1.40 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1pla h ALA 52 CO 0.57 0.53 0.00 0.39 0.00 0.00 0.00 179.25 180.74 1pla n GLU 53 N -3.50 0.18 -0.10 0.00 4.71 -1.26 0.27 120.64 120.94 1pla n GLU 53 Ca -0.00 0.12 -0.20 0.00 -0.01 0.00 0.00 57.16 57.07 1pla n GLU 53 Cb 0.56 -1.50 -0.12 0.00 -1.01 0.00 0.00 31.44 29.36 1pla n GLU 53 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 1pla n LYS 54 N -1.16 0.67 0.00 3.49 4.76 -1.08 -4.49 118.16 120.35 1pla n LYS 54 Ca 0.05 0.19 0.11 0.00 -2.87 0.00 0.00 58.31 55.79 1pla n LYS 54 Cb 0.05 -1.57 -0.11 0.00 -1.84 0.00 0.00 35.03 31.56 1pla n LYS 54 CO 0.00 0.00 0.00 0.44 -1.37 0.00 0.00 177.40 176.47 1pla n ILE 55 N -3.41 0.02 -1.38 -0.18 -5.35 -0.99 -4.96 119.36 103.11 1pla n ILE 55 Ca -0.43 -0.20 -0.29 0.00 -0.27 0.00 0.00 62.75 61.56 1pla n ILE 55 Cb 0.99 0.55 0.18 0.00 -1.74 0.00 0.00 39.64 39.62 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 -3.64 2.54 -0.46 7.28 0.01 0.14 -4.80 113.70 114.78 1pla s SER 56 Ca 0.02 0.83 0.04 0.00 1.31 0.00 0.00 55.95 58.15 1pla s SER 56 Cb 0.15 -1.27 0.17 0.00 0.21 0.00 0.00 66.02 65.28 1pla s SER 56 CO 0.87 -3.14 0.36 -1.10 0.41 0.00 0.00 173.24 170.64 1pla s GLN 57 N -5.32 1.15 0.65 12.44 -0.21 0.24 -4.95 119.66 123.66 1pla s GLN 57 Ca 0.67 -2.30 0.42 0.00 0.02 0.00 0.00 55.36 54.17 1pla s GLN 57 Cb -0.13 -1.75 2.26 0.00 1.00 0.00 0.00 33.01 34.39 1pla s GLN 57 CO 0.55 -1.37 2.33 -1.35 -2.12 0.00 0.00 175.29 173.33 1pla h PRO 58 N 5.63 0.00 -5.05 2.91 0.11 -1.96 -3.39 132.00 130.25 1pla h PRO 58 Ca 0.24 0.00 -0.68 0.00 0.11 0.00 0.00 66.00 65.67 1pla h PRO 58 Cb 0.89 0.00 -0.18 0.00 0.11 0.00 0.00 31.00 31.82 1pla h PRO 58 CO 0.43 0.00 -0.04 -2.00 -0.21 0.00 0.00 178.00 176.18 1pla s GLU 59 N -4.18 3.16 1.09 1.05 2.56 -1.26 -5.05 118.70 116.07 1pla s GLU 59 Ca -0.04 -0.68 -0.16 0.00 0.00 0.00 0.00 54.97 54.08 1pla s GLU 59 Cb 0.13 -4.00 0.19 0.00 2.00 0.00 0.00 34.13 32.45 1pla s GLU 59 CO 0.44 -1.01 0.34 0.66 -0.56 0.00 0.00 175.26 175.14 1pla n TYR 60 N 5.96 -2.38 -3.82 5.30 4.02 -1.26 -4.96 117.16 120.02 1pla n TYR 60 Ca -0.05 -0.09 -0.12 0.00 -0.01 0.00 0.00 57.90 57.62 1pla n TYR 60 Cb 0.47 -1.41 -0.13 0.00 -0.02 0.00 0.00 39.34 38.25 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 -1.15 1.43 -0.29 7.72 0.05 -1.12 -5.03 118.68 120.28 1pla s LEU 61 Ca 0.44 0.27 0.18 0.00 0.05 0.00 0.00 54.13 55.06 1pla s LEU 61 Cb -0.08 0.45 0.48 0.00 -2.05 0.00 0.00 46.19 44.99 1pla s LEU 61 CO 0.42 -0.05 1.09 -0.46 -0.55 0.00 0.00 176.35 176.79 1pla n ASN 62 N 3.11 2.37 -4.83 1.48 6.94 -1.26 -2.21 115.26 120.85 1pla n ASN 62 Ca -0.14 -2.60 -0.22 0.00 -0.02 0.00 0.00 54.58 51.60 1pla n ASN 62 Cb 0.58 -0.46 -0.04 0.00 -2.36 0.00 0.00 39.78 37.50 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 1.42 -0.32 4.83 0.00 -1.26 -4.99 107.32 103.40 1pla s GLY 63 Ca 0.33 -1.38 -0.05 0.00 0.00 0.00 0.00 44.72 43.61 1pla s GLY 63 CO -0.02 -1.42 0.07 0.00 0.00 0.00 0.00 173.10 171.73 1pla s ALA 64 N -2.09 2.99 0.00 3.20 0.00 -1.26 -4.43 121.76 120.17 1pla s ALA 64 Ca 0.33 -1.69 0.00 0.00 0.00 0.00 0.00 51.96 50.59 1pla s ALA 64 Cb -0.08 -2.16 0.00 0.00 0.00 0.00 0.00 23.12 20.88 1pla s ALA 64 CO 0.25 -1.24 0.00 0.41 0.00 0.00 0.00 175.76 175.18 1pla n GLY 65 N 4.78 1.75 3.77 0.00 0.00 -1.23 -5.05 105.19 109.21 1pla n GLY 65 Ca -0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.82 2.23 0.26 1.61 0.41 -1.26 -4.65 118.70 116.48 1pla s GLU 66 Ca 0.00 1.16 -0.06 0.00 -0.41 0.00 0.00 54.97 55.65 1pla s GLU 66 Cb 0.00 -1.89 -0.01 0.00 -1.78 0.00 0.00 34.13 30.44 1pla s GLU 66 CO 0.00 -1.66 0.37 0.95 -0.49 0.00 0.00 175.26 174.43 1pla s THR 67 N -2.91 0.00 -0.05 3.63 -4.23 -1.26 -2.40 115.64 108.42 1pla s THR 67 Ca 0.61 -1.64 0.01 0.00 -1.18 0.00 0.00 61.69 59.49 1pla s THR 67 Cb -0.17 -2.40 0.02 0.00 1.34 0.00 0.00 72.50 71.29 1pla s THR 67 CO 0.56 0.00 -0.05 -0.47 -0.54 0.00 0.00 174.62 174.12 1pla s TYR 68 N -3.81 0.84 0.21 3.99 5.04 -0.90 -4.93 117.35 117.80 1pla s TYR 68 Ca 0.30 -0.25 -0.09 0.00 -2.44 0.00 0.00 57.07 54.58 1pla s TYR 68 Cb 0.02 -0.72 -0.07 0.00 0.35 0.00 0.00 41.96 41.53 1pla s TYR 68 CO 0.13 -0.21 0.52 -1.21 -1.34 0.00 0.00 175.55 173.45 1pla s GLU 69 N 0.90 3.78 -0.15 4.97 2.02 -1.26 -1.38 118.70 127.58 1pla s GLU 69 Ca -0.11 0.23 -0.09 0.00 0.02 0.00 0.00 54.97 55.02 1pla s GLU 69 Cb -0.14 -2.69 0.05 0.00 0.10 0.00 0.00 34.13 31.45 1pla s GLU 69 CO 0.00 0.34 0.37 0.08 0.02 0.00 0.00 175.26 176.08 1pla s VAL 70 N -1.78 -0.02 -0.26 2.63 1.01 -0.31 -4.96 120.40 116.71 1pla s VAL 70 Ca 0.46 0.09 0.01 0.00 0.00 0.00 0.00 61.98 62.53 1pla s VAL 70 Cb -0.11 -0.55 0.07 0.00 0.00 0.00 0.00 36.38 35.79 1pla s VAL 70 CO 0.21 0.04 0.00 -0.89 0.00 0.00 0.00 175.10 174.46 1pla s THR 71 N 1.17 1.40 0.38 3.92 2.01 -1.26 -0.28 115.64 122.97 1pla s THR 71 Ca -0.08 -1.35 -0.04 0.00 0.31 0.00 0.00 61.69 60.53 1pla s THR 71 Cb -0.08 -1.82 -0.04 0.00 0.01 0.00 0.00 72.50 70.57 1pla s THR 71 CO -0.10 -0.30 0.65 -0.76 -0.69 0.00 0.00 174.62 173.42 1pla s LEU 72 N 1.42 3.89 -0.35 4.42 1.43 -1.26 -5.03 118.68 123.19 1pla s LEU 72 Ca 0.00 0.76 0.14 0.00 -1.03 0.00 0.00 54.13 54.00 1pla s LEU 72 Cb -0.18 -3.64 0.43 0.00 0.03 0.00 0.00 46.19 42.83 1pla s LEU 72 CO -0.10 -0.36 1.20 0.35 0.23 0.00 0.00 176.35 177.66 1pla n THR 73 N -1.61 0.48 -3.41 5.49 -2.24 -1.26 -3.69 114.28 108.04 1pla n THR 73 Ca -0.01 -2.17 -0.18 0.00 -2.27 0.00 0.00 64.05 59.42 1pla n THR 73 Cb 0.55 0.89 -0.10 0.00 -2.10 0.00 0.00 70.33 69.57 1pla n THR 73 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1pla s GLU 74 N -1.41 0.31 -0.45 -0.78 2.56 -1.26 -5.03 118.70 112.64 1pla s GLU 74 Ca 0.23 -0.14 -0.45 0.00 0.00 0.00 0.00 54.97 54.61 1pla s GLU 74 Cb 0.42 -0.72 -0.19 0.00 2.00 0.00 0.00 34.13 35.65 1pla s GLU 74 CO -0.04 -1.00 1.70 0.36 -0.56 0.00 0.00 175.26 175.72 1pla n LYS 75 N 5.31 0.25 0.00 4.30 2.85 -1.26 -4.64 118.16 124.96 1pla n LYS 75 Ca -0.03 0.09 0.00 0.00 -1.05 0.00 0.00 58.31 57.32 1pla n LYS 75 Cb 0.46 -1.64 0.00 0.00 -0.65 0.00 0.00 35.03 33.21 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 4.46 -0.59 2.91 2.58 0.00 -0.91 -4.94 105.19 108.70 1pla n GLY 76 Ca 0.33 -0.55 -0.13 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.14 2.61 2.01 -1.26 -1.93 115.64 112.90 1pla s THR 77 Ca 0.00 0.13 0.01 0.00 0.31 0.00 0.00 61.69 62.14 1pla s THR 77 Cb 0.00 -0.19 -0.00 0.00 0.01 0.00 0.00 72.50 72.32 1pla s THR 77 CO 0.00 0.05 -0.17 -0.31 -0.69 0.00 0.00 174.62 173.51 1pla s TYR 78 N 0.83 2.74 -0.39 4.92 1.51 -0.95 -4.46 117.35 121.54 1pla s TYR 78 Ca -0.06 -0.97 -0.14 0.00 -1.01 0.00 0.00 57.07 54.89 1pla s TYR 78 Cb -0.09 -1.84 0.02 0.00 -0.11 0.00 0.00 41.96 39.94 1pla s TYR 78 CO -0.04 -0.41 0.27 0.15 -1.11 0.00 0.00 175.55 174.41 1pla s LYS 79 N 0.61 3.00 0.34 -0.62 3.01 -1.26 -2.64 119.74 122.18 1pla s LYS 79 Ca -0.09 -0.99 0.06 0.00 -1.01 0.00 0.00 55.97 53.94 1pla s LYS 79 Cb -0.16 -3.89 -0.07 0.00 -1.01 0.00 0.00 37.83 32.70 1pla s LYS 79 CO 0.03 -0.70 -0.01 -0.59 0.51 0.00 0.00 175.35 174.59 1pla s PHE 80 N 1.65 2.20 0.04 3.18 -0.71 0.14 -0.12 117.98 124.37 1pla s PHE 80 Ca 0.04 -0.74 -0.09 0.00 -1.04 0.00 0.00 56.93 55.10 1pla s PHE 80 Cb -0.19 -1.41 0.03 0.00 -1.21 0.00 0.00 43.02 40.24 1pla s PHE 80 CO 0.09 0.30 0.44 2.48 -1.34 0.00 0.00 175.22 177.19 1pla n TYR 81 N -0.77 -0.66 -4.30 3.49 4.11 -0.97 0.11 117.16 118.18 1pla n TYR 81 Ca -0.04 -0.43 -0.34 0.00 -0.00 0.00 0.00 57.90 57.09 1pla n TYR 81 Cb 0.65 0.20 -0.12 0.00 -0.00 0.00 0.00 39.34 40.08 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 6.76 0.43 0.20 0.00 5.08 -1.91 -2.17 114.58 122.97 1pla h GLU 83 Ca -0.33 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 57.79 1pla h GLU 83 Cb 1.19 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1pla h GLU 83 CO 0.64 0.80 -0.09 -1.00 -1.00 0.00 0.00 179.01 178.36 1pla h PRO 84 N 0.08 -0.26 -0.64 2.33 0.14 -1.95 -2.96 132.00 128.75 1pla h PRO 84 Ca 0.03 0.02 0.00 0.00 0.14 0.00 0.00 66.00 66.18 1pla h PRO 84 Cb 0.73 0.06 0.00 0.00 0.14 0.00 0.00 31.00 31.93 1pla h PRO 84 CO 0.05 0.10 0.00 0.72 0.14 0.00 0.00 178.00 179.00 1pla n HIS 85 N -5.04 0.21 0.29 1.56 8.25 -1.25 -3.95 115.22 115.28 1pla n HIS 85 Ca -0.09 -0.08 0.19 0.00 -0.26 0.00 0.00 57.72 57.48 1pla n HIS 85 Cb 0.24 -0.10 0.98 0.00 1.12 0.00 0.00 29.99 32.24 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 2.58 1.00 0.00 -1.41 0.00 -1.21 -0.03 119.26 120.19 1pla h ALA 86 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1pla h ALA 86 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1pla h ALA 86 CO 0.04 0.00 0.00 0.78 0.00 0.00 0.00 179.25 180.07 1pla h GLY 87 N 0.27 0.00 -0.15 0.00 0.00 -1.82 -2.89 103.07 98.48 1pla h GLY 87 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1pla h GLY 87 CO 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 176.54 176.24 1pla n ALA 88 N -2.07 3.18 -0.42 3.60 0.00 -0.03 -4.91 120.51 119.86 1pla n ALA 88 Ca 0.03 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 52.99 1pla n ALA 88 Cb 0.44 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.85 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 1.36 0.79 3.54 0.00 0.00 -1.09 -4.97 105.19 104.81 1pla n GLY 89 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 1pla n GLY 89 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1pla n MET 90 N -2.40 0.99 -4.32 1.61 0.00 -1.18 -4.90 117.12 106.91 1pla n MET 90 Ca 0.00 0.09 -0.19 0.00 0.00 0.00 0.00 57.70 57.60 1pla n MET 90 Cb 0.00 -3.02 -0.11 0.00 0.00 0.00 0.00 33.22 30.10 1pla n MET 90 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 175.97 174.38 1pla s LYS 91 N 7.95 1.25 -0.02 2.12 -2.85 -1.26 -2.68 119.74 124.26 1pla s LYS 91 Ca 1.06 -1.47 -0.00 0.00 -1.00 0.00 0.00 55.97 54.56 1pla s LYS 91 Cb -0.44 -1.14 0.02 0.00 -2.06 0.00 0.00 37.83 34.21 1pla s LYS 91 CO 0.33 0.21 0.03 0.20 0.10 0.00 0.00 175.35 176.22 1pla s GLY 92 N -2.95 0.05 0.02 0.59 0.00 0.31 -4.15 107.32 101.20 1pla s GLY 92 Ca 0.18 0.22 0.00 0.00 0.00 0.00 0.00 44.72 45.12 1pla s GLY 92 CO 0.06 0.45 -0.04 -1.83 0.00 0.00 0.00 173.10 171.74 1pla s GLU 93 N 0.67 0.32 -0.04 2.90 1.03 -0.83 0.28 118.70 123.03 1pla s GLU 93 Ca -0.06 -0.57 -0.02 0.00 0.03 0.00 0.00 54.97 54.36 1pla s GLU 93 Cb -0.08 0.02 0.03 0.00 -0.80 0.00 0.00 34.13 33.30 1pla s GLU 93 CO -0.02 -0.02 0.08 0.54 -1.33 0.00 0.00 175.26 174.51 1pla s VAL 94 N -1.27 -0.04 -0.38 1.83 0.11 -1.08 -2.43 120.40 117.13 1pla s VAL 94 Ca -0.13 0.15 -0.06 0.00 -2.93 0.00 0.00 61.98 59.01 1pla s VAL 94 Cb -0.09 -0.15 0.08 0.00 -1.53 0.00 0.00 36.38 34.69 1pla s VAL 94 CO -0.01 0.06 0.18 -0.89 -3.33 0.00 0.00 175.10 171.11 1pla s THR 95 N 0.86 3.68 0.38 5.04 2.01 -0.68 -2.23 115.64 124.71 1pla s THR 95 Ca -0.07 -1.55 -0.14 0.00 0.31 0.00 0.00 61.69 60.24 1pla s THR 95 Cb -0.09 -3.28 -0.08 0.00 0.01 0.00 0.00 72.50 69.05 1pla s THR 95 CO -0.03 -0.45 0.79 -0.69 -0.69 0.00 0.00 174.62 173.55 1pla s VAL 96 N 1.31 4.68 0.00 3.82 1.01 -0.81 -0.95 120.40 129.46 1pla s VAL 96 Ca 0.02 0.90 0.00 0.00 0.00 0.00 0.00 61.98 62.90 1pla s VAL 96 Cb -0.22 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.49 1pla s VAL 96 CO -0.00 -0.38 0.48 0.59 0.00 0.00 0.00 175.10 175.78