#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 3.82 -0.22 0.00 8.01 -1.26 -2.42 118.70 126.63 1pla s GLU 2 Ca 0.00 -0.38 -0.03 0.00 0.01 0.00 0.00 54.97 54.57 1pla s GLU 2 Cb 0.00 -3.11 0.00 0.00 -4.31 0.00 0.00 34.13 26.71 1pla s GLU 2 CO 0.00 0.31 -0.07 0.08 0.01 0.00 0.00 175.26 175.59 1pla s VAL 3 N 0.23 3.03 -0.36 2.63 1.01 -0.94 -4.41 120.40 121.59 1pla s VAL 3 Ca 0.02 -0.69 -0.19 0.00 0.00 0.00 0.00 61.98 61.12 1pla s VAL 3 Cb -0.13 -2.40 0.00 0.00 0.00 0.00 0.00 36.38 33.86 1pla s VAL 3 CO 0.01 0.39 0.56 -0.54 0.00 0.00 0.00 175.10 175.52 1pla s LYS 4 N 1.41 3.59 -0.58 2.72 1.02 0.17 -0.83 119.74 127.23 1pla s LYS 4 Ca 0.04 -0.14 -0.28 0.00 0.02 0.00 0.00 55.97 55.61 1pla s LYS 4 Cb -0.15 -3.83 0.03 0.00 -0.52 0.00 0.00 37.83 33.37 1pla s LYS 4 CO -0.05 -0.71 1.21 -0.51 -0.92 0.00 0.00 175.35 174.37 1pla s LEU 5 N 2.52 3.43 0.00 3.17 1.02 -0.64 -2.66 118.68 125.53 1pla s LEU 5 Ca 0.20 0.10 0.00 0.00 0.02 0.00 0.00 54.13 54.46 1pla s LEU 5 Cb -0.15 -3.14 0.00 0.00 0.02 0.00 0.00 46.19 42.92 1pla s LEU 5 CO 0.14 -1.51 0.00 0.61 0.02 0.00 0.00 176.35 175.61 1pla n GLY 6 N 5.09 0.02 3.54 -3.19 0.00 -1.10 -2.66 105.19 106.88 1pla n GLY 6 Ca 0.09 -0.73 -0.35 0.00 0.00 0.00 0.00 46.02 45.02 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 -0.54 0.01 1.61 3.41 -0.24 -3.90 113.62 113.97 1pla n SER 7 Ca 0.00 0.55 0.05 0.00 -0.26 0.00 0.00 58.87 59.22 1pla n SER 7 Cb 0.00 -1.32 0.45 0.00 -0.26 0.00 0.00 64.21 63.08 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 -0.70 0.42 0.00 4.04 5.19 -1.94 -3.34 116.42 120.10 1pla h ASP 8 Ca -0.46 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 55.95 1pla h ASP 8 Cb 1.32 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 40.73 1pla h ASP 8 CO 0.43 0.30 0.00 -0.90 -3.12 0.00 0.00 179.24 175.95 1pla n ASP 9 N -4.48 0.00 0.09 6.45 5.75 -1.26 -4.86 116.55 118.24 1pla n ASP 9 Ca 0.03 -0.98 -0.17 0.00 -0.01 0.00 0.00 54.79 53.66 1pla n ASP 9 Cb 0.10 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 40.08 1pla n ASP 9 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1pla h GLY 10 N 0.00 0.47 0.00 6.12 0.00 -1.94 -3.50 103.07 104.23 1pla h GLY 10 Ca 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 47.33 46.31 1pla h GLY 10 CO 0.00 0.90 0.00 0.61 0.00 0.00 0.00 176.54 178.05 1pla n GLY 11 N 1.33 0.18 3.33 4.60 0.00 -1.25 -4.94 105.19 108.42 1pla n GLY 11 Ca -0.10 -1.73 -0.46 0.00 0.00 0.00 0.00 46.02 43.73 1pla n GLY 11 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pla s LEU 12 N 0.00 6.40 0.05 0.99 1.43 -1.26 -1.08 118.68 125.21 1pla s LEU 12 Ca 0.00 -2.22 -0.13 0.00 -1.03 0.00 0.00 54.13 50.75 1pla s LEU 12 Cb 0.00 -2.22 0.02 0.00 0.03 0.00 0.00 46.19 44.02 1pla s LEU 12 CO 0.00 -0.74 0.29 0.68 0.23 0.00 0.00 176.35 176.81 1pla s VAL 13 N 0.98 0.09 -0.54 -1.59 -7.23 -1.26 -4.56 120.40 106.29 1pla s VAL 13 Ca 0.11 -0.72 -0.28 0.00 -1.81 0.00 0.00 61.98 59.28 1pla s VAL 13 Cb -0.19 -0.96 0.02 0.00 0.56 0.00 0.00 36.38 35.81 1pla s VAL 13 CO -0.03 -0.40 1.28 -0.36 -0.31 0.00 0.00 175.10 175.28 1pla s PHE 14 N -2.66 2.52 -0.28 2.82 0.08 -1.26 -2.73 117.98 116.46 1pla s PHE 14 Ca -0.04 0.51 -0.03 0.00 0.12 0.00 0.00 56.93 57.48 1pla s PHE 14 Cb -0.01 -4.45 0.03 0.00 -0.57 0.00 0.00 43.02 38.03 1pla s PHE 14 CO -0.04 -1.70 0.01 -1.12 -0.10 0.00 0.00 175.22 172.27 1pla s SER 15 N 3.43 4.79 1.22 1.36 0.01 -1.09 -1.01 113.70 122.41 1pla s SER 15 Ca 0.49 -0.98 -0.18 0.00 1.31 0.00 0.00 55.95 56.59 1pla s SER 15 Cb -0.09 -1.75 0.29 0.00 0.21 0.00 0.00 66.02 64.68 1pla s SER 15 CO 0.27 -0.20 1.05 -2.16 0.41 0.00 0.00 173.24 172.61 1pla s PRO 16 N 1.36 -1.35 -0.13 12.44 0.05 -1.26 0.42 135.00 146.52 1pla s PRO 16 Ca -0.01 0.19 -0.10 0.00 0.05 0.00 0.00 61.00 61.13 1pla s PRO 16 Cb -0.18 -1.56 -0.03 0.00 0.05 0.00 0.00 34.50 32.78 1pla s PRO 16 CO -0.01 -3.85 -0.20 0.43 0.05 0.00 0.00 177.00 173.42 1pla n SER 17 N -4.91 1.63 -4.33 6.66 7.64 -0.18 -4.89 113.62 115.24 1pla n SER 17 Ca 0.10 0.51 -0.31 0.00 1.01 0.00 0.00 58.87 60.19 1pla n SER 17 Cb 0.59 -0.80 -0.15 0.00 -1.01 0.00 0.00 64.21 62.84 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 -5.53 3.13 -0.28 6.43 0.15 -1.26 -2.37 113.70 113.96 1pla s SER 18 Ca -0.16 -0.54 -0.22 0.00 0.70 0.00 0.00 55.95 55.72 1pla s SER 18 Cb 0.02 -0.32 0.12 0.00 -1.71 0.00 0.00 66.02 64.14 1pla s SER 18 CO 0.24 0.28 1.00 0.72 1.20 0.00 0.00 173.24 176.68 1pla s PHE 19 N -0.73 -0.53 0.55 3.44 -0.71 -0.97 -5.00 117.98 114.04 1pla s PHE 19 Ca 0.11 1.22 -0.07 0.00 -1.04 0.00 0.00 56.93 57.14 1pla s PHE 19 Cb -0.10 0.37 -0.03 0.00 -1.21 0.00 0.00 43.02 42.05 1pla s PHE 19 CO 0.01 -0.26 0.89 0.95 -1.34 0.00 0.00 175.22 175.47 1pla s THR 20 N 0.57 4.52 0.13 -4.49 -4.23 -1.26 -2.42 115.64 108.46 1pla s THR 20 Ca -0.00 0.36 -0.10 0.00 -1.18 0.00 0.00 61.69 60.77 1pla s THR 20 Cb -0.05 -3.76 0.00 0.00 1.34 0.00 0.00 72.50 70.03 1pla s THR 20 CO -0.09 -0.84 0.27 0.68 -0.54 0.00 0.00 174.62 174.10 1pla s VAL 21 N -2.95 0.10 0.27 2.29 -7.23 0.14 -4.82 120.40 108.19 1pla s VAL 21 Ca 0.51 -1.17 -0.23 0.00 -1.81 0.00 0.00 61.98 59.28 1pla s VAL 21 Cb -0.11 -1.54 -0.09 0.00 0.56 0.00 0.00 36.38 35.21 1pla s VAL 21 CO 0.48 -0.44 0.84 0.00 -0.31 0.00 0.00 175.10 175.67 1pla s ALA 22 N -3.90 3.31 -0.85 1.32 0.00 -1.26 -0.30 121.76 120.08 1pla s ALA 22 Ca 0.10 0.35 -0.26 0.00 0.00 0.00 0.00 51.96 52.14 1pla s ALA 22 Cb 0.04 -3.01 -0.23 0.00 0.00 0.00 0.00 23.12 19.92 1pla s ALA 22 CO -0.06 0.25 1.95 0.00 0.00 0.00 0.00 175.76 177.89 1pla n ALA 23 N 0.64 1.00 0.00 0.00 0.00 -0.27 -1.43 120.51 120.45 1pla n ALA 23 Ca -0.00 -2.62 0.00 0.00 0.00 0.00 0.00 53.44 50.82 1pla n ALA 23 Cb 0.51 -3.49 0.00 0.00 0.00 0.00 0.00 19.45 16.46 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 5.66 -0.03 3.86 0.00 0.00 -1.24 -4.92 105.19 108.52 1pla n GLY 24 Ca 0.44 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.12 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 3.32 -0.03 1.61 -6.30 -0.51 -5.08 118.70 111.70 1pla s GLU 25 Ca 0.00 -0.34 -0.21 0.00 -2.50 0.00 0.00 54.97 51.92 1pla s GLU 25 Cb 0.00 -3.04 -0.05 0.00 0.00 0.00 0.00 34.13 31.05 1pla s GLU 25 CO 0.00 0.69 0.61 0.15 0.02 0.00 0.00 175.26 176.73 1pla s LYS 26 N -1.67 4.35 -0.21 4.30 1.02 -1.26 -4.47 119.74 121.80 1pla s LYS 26 Ca 0.23 0.75 -0.00 0.00 0.02 0.00 0.00 55.97 56.97 1pla s LYS 26 Cb -0.12 -3.37 0.02 0.00 -0.52 0.00 0.00 37.83 33.83 1pla s LYS 26 CO 0.14 0.28 -0.13 0.42 -0.92 0.00 0.00 175.35 175.14 1pla s ILE 27 N 0.10 2.50 -0.29 2.17 1.01 0.47 -3.23 121.20 123.93 1pla s ILE 27 Ca 0.32 -0.93 -0.06 0.00 0.00 0.00 0.00 60.65 59.99 1pla s ILE 27 Cb -0.18 -2.16 0.01 0.00 0.01 0.00 0.00 42.46 40.15 1pla s ILE 27 CO 0.17 0.40 0.05 0.42 0.00 0.00 0.00 174.94 175.97 1pla s THR 28 N 1.32 3.71 -0.29 2.92 -4.23 -1.01 -0.24 115.64 117.82 1pla s THR 28 Ca 0.03 -0.78 -0.25 0.00 -1.18 0.00 0.00 61.69 59.50 1pla s THR 28 Cb -0.15 -2.91 0.00 0.00 1.34 0.00 0.00 72.50 70.78 1pla s THR 28 CO -0.09 0.10 0.87 -0.36 -0.54 0.00 0.00 174.62 174.60 1pla s PHE 29 N 1.46 3.23 -0.12 3.99 0.08 0.87 -2.20 117.98 125.28 1pla s PHE 29 Ca 0.02 1.02 0.03 0.00 0.12 0.00 0.00 56.93 58.12 1pla s PHE 29 Cb -0.17 -3.27 0.00 0.00 -0.57 0.00 0.00 43.02 39.01 1pla s PHE 29 CO 0.01 -0.55 -0.22 -1.59 -0.10 0.00 0.00 175.22 172.76 1pla s LYS 30 N 3.08 3.05 -0.03 0.44 -2.85 -0.01 -0.89 119.74 122.53 1pla s LYS 30 Ca 0.36 -0.86 -0.26 0.00 -1.00 0.00 0.00 55.97 54.22 1pla s LYS 30 Cb -0.14 -2.38 -0.04 0.00 -2.06 0.00 0.00 37.83 33.21 1pla s LYS 30 CO 0.11 0.09 0.80 1.21 0.10 0.00 0.00 175.35 177.66 1pla s ASN 31 N 0.56 7.14 0.00 0.03 3.84 -0.75 -1.62 114.94 124.14 1pla s ASN 31 Ca -0.13 1.37 0.00 0.00 0.21 0.00 0.00 52.86 54.31 1pla s ASN 31 Cb -0.17 -2.47 0.00 0.00 -0.55 0.00 0.00 41.25 38.06 1pla s ASN 31 CO 0.04 -0.14 0.03 -0.46 -2.79 0.00 0.00 177.10 173.78 1pla n ASN 32 N 3.67 0.06 -3.62 -4.21 6.94 -1.15 -3.18 115.26 113.76 1pla n ASN 32 Ca 0.01 -0.31 -0.07 0.00 -0.02 0.00 0.00 54.58 54.18 1pla n ASN 32 Cb 0.51 0.23 -0.06 0.00 -2.36 0.00 0.00 39.78 38.10 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 -0.23 -2.03 -0.44 -2.53 0.00 -1.09 -4.99 121.76 110.45 1pla s ALA 33 Ca 0.00 1.75 -0.01 0.00 0.00 0.00 0.00 51.96 53.70 1pla s ALA 33 Cb 0.00 -1.29 -0.01 0.00 0.00 0.00 0.00 23.12 21.82 1pla s ALA 33 CO 0.00 -0.23 0.38 0.41 0.00 0.00 0.00 175.76 176.32 1pla n GLY 34 N 1.39 0.11 3.96 0.00 0.00 -1.26 -3.91 105.19 105.49 1pla n GLY 34 Ca -0.10 -0.11 -0.22 0.00 0.00 0.00 0.00 46.02 45.59 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 -3.15 3.05 0.39 1.61 0.08 -1.26 -4.45 117.98 114.25 1pla s PHE 35 Ca 0.08 0.15 -0.24 0.00 0.12 0.00 0.00 56.93 57.04 1pla s PHE 35 Cb -0.01 -2.55 -0.09 0.00 -0.57 0.00 0.00 43.02 39.79 1pla s PHE 35 CO 0.29 -0.64 1.01 -1.25 -0.10 0.00 0.00 175.22 174.53 1pla s PRO 36 N -4.69 4.26 0.42 0.24 0.04 -1.26 -5.05 135.00 128.96 1pla s PRO 36 Ca 0.53 1.40 0.06 0.00 0.04 0.00 0.00 61.00 63.03 1pla s PRO 36 Cb -0.10 -2.53 0.06 0.00 0.04 0.00 0.00 34.50 31.96 1pla s PRO 36 CO 0.39 -0.04 0.46 0.72 0.04 0.00 0.00 177.00 178.57 1pla n HIS 37 N -0.04 -1.68 -3.64 0.56 8.25 -1.00 -4.88 115.22 112.79 1pla n HIS 37 Ca 0.05 -1.65 -0.08 0.00 -0.26 0.00 0.00 57.72 55.77 1pla n HIS 37 Cb 0.50 -0.37 -0.07 0.00 1.12 0.00 0.00 29.99 31.17 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 -3.55 -0.65 -0.16 0.41 3.04 -1.26 -3.16 114.94 109.61 1pla s ASN 38 Ca 0.35 1.14 0.00 0.00 0.04 0.00 0.00 52.86 54.39 1pla s ASN 38 Cb -0.03 1.21 0.02 0.00 -1.54 0.00 0.00 41.25 40.92 1pla s ASN 38 CO 0.22 -0.19 -0.14 -0.63 -3.04 0.00 0.00 177.10 173.32 1pla s ILE 39 N 0.86 1.63 -0.01 -5.21 1.09 -1.26 -3.91 121.20 114.39 1pla s ILE 39 Ca -0.04 -0.71 -0.03 0.00 -1.10 0.00 0.00 60.65 58.78 1pla s ILE 39 Cb -0.05 -1.54 -0.00 0.00 -1.06 0.00 0.00 42.46 39.81 1pla s ILE 39 CO -0.10 0.44 0.06 -0.69 -0.10 0.00 0.00 174.94 174.55 1pla s VAL 40 N 1.46 0.05 -0.26 2.92 1.01 -1.03 -2.14 120.40 122.41 1pla s VAL 40 Ca 0.04 -0.44 -0.13 0.00 0.00 0.00 0.00 61.98 61.45 1pla s VAL 40 Cb -0.13 -0.24 -0.04 0.00 0.00 0.00 0.00 36.38 35.96 1pla s VAL 40 CO -0.11 -0.24 0.29 -0.36 0.00 0.00 0.00 175.10 174.68 1pla s PHE 41 N -0.77 3.27 -0.03 5.22 0.40 -1.26 -2.19 117.98 122.62 1pla s PHE 41 Ca -0.08 0.33 -0.30 0.00 -0.60 0.00 0.00 56.93 56.28 1pla s PHE 41 Cb -0.05 -2.46 -0.08 0.00 0.51 0.00 0.00 43.02 40.94 1pla s PHE 41 CO 0.00 -0.13 2.05 -0.40 0.70 0.00 0.00 175.22 177.44 1pla n ASP 42 N 4.96 3.93 -1.71 1.36 5.75 -0.78 -4.80 116.55 125.24 1pla n ASP 42 Ca -0.11 0.71 -0.02 0.00 -0.01 0.00 0.00 54.79 55.36 1pla n ASP 42 Cb 0.51 -1.54 -0.02 0.00 -1.03 0.00 0.00 41.12 39.05 1pla n ASP 42 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1pla n GLU 43 N 7.88 0.88 0.00 0.11 4.71 -1.26 -2.66 120.64 130.30 1pla n GLU 43 Ca 0.23 -0.13 0.00 0.00 -0.01 0.00 0.00 57.16 57.25 1pla n GLU 43 Cb 0.42 -1.26 0.00 0.00 -1.01 0.00 0.00 31.44 29.59 1pla n GLU 43 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1pla n ASP 44 N 1.80 0.15 -0.46 1.62 8.00 -1.26 -4.83 116.55 121.56 1pla n ASP 44 Ca 0.06 -0.71 0.00 0.00 0.71 0.00 0.00 54.79 54.85 1pla n ASP 44 Cb 0.43 0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.60 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 -0.07 0.00 -3.72 -1.24 1.02 -1.09 -5.10 120.64 110.44 1pla n GLU 45 Ca 0.00 -0.61 -0.34 0.00 -0.02 0.00 0.00 57.16 56.19 1pla n GLU 45 Cb 0.13 -0.32 -0.05 0.00 -0.02 0.00 0.00 31.44 31.19 1pla n GLU 45 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1pla s VAL 46 N 0.00 5.24 0.57 2.62 1.01 -1.24 -4.23 120.40 124.37 1pla s VAL 46 Ca 0.00 0.16 -0.20 0.00 0.00 0.00 0.00 61.98 61.94 1pla s VAL 46 Cb 0.00 -3.60 -0.05 0.00 0.00 0.00 0.00 36.38 32.74 1pla s VAL 46 CO 0.00 0.28 1.17 -0.81 0.00 0.00 0.00 175.10 175.74 1pla n PRO 47 N 0.84 1.28 -0.90 2.72 -0.04 -1.26 -4.94 135.00 132.70 1pla n PRO 47 Ca -0.09 0.48 -0.32 0.00 -0.04 0.00 0.00 63.50 63.54 1pla n PRO 47 Cb 0.52 -2.37 0.14 0.00 -0.04 0.00 0.00 33.50 31.76 1pla n PRO 47 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pla s ALA 48 N -1.38 1.68 0.00 0.55 0.00 -1.26 -2.78 121.76 118.57 1pla s ALA 48 Ca 0.74 0.64 0.00 0.00 0.00 0.00 0.00 51.96 53.34 1pla s ALA 48 Cb -0.42 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.25 1pla s ALA 48 CO 0.48 -2.49 0.00 0.41 0.00 0.00 0.00 175.76 174.15 1pla n GLY 49 N 0.15 1.48 3.30 0.00 0.00 -1.26 -4.80 105.19 104.05 1pla n GLY 49 Ca 0.12 -0.01 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 1pla n GLY 49 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1pla n VAL 50 N 0.00 1.79 -1.46 1.61 0.31 -1.12 -4.91 118.33 114.55 1pla n VAL 50 Ca 0.00 -1.68 -0.44 0.00 -0.01 0.00 0.00 64.34 62.20 1pla n VAL 50 Cb 0.00 -2.25 -0.01 0.00 -0.91 0.00 0.00 33.84 30.67 1pla n VAL 50 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1pla n ASN 51 N 10.19 -0.54 0.08 4.52 3.02 -1.26 -4.71 115.26 126.56 1pla n ASN 51 Ca 0.48 1.05 -0.05 0.00 -0.03 0.00 0.00 54.58 56.02 1pla n ASN 51 Cb 0.43 -1.09 -0.07 0.00 -0.61 0.00 0.00 39.78 38.43 1pla n ASN 51 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pla h ALA 52 N 1.16 0.45 0.00 5.41 0.00 -1.91 -3.10 119.26 121.28 1pla h ALA 52 Ca -0.36 -0.82 0.00 0.00 0.00 0.00 0.00 54.91 53.74 1pla h ALA 52 Cb 1.40 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1pla h ALA 52 CO 0.55 1.12 0.00 0.39 0.00 0.00 0.00 179.25 181.31 1pla n GLU 53 N -3.37 0.70 -0.09 0.00 1.02 -1.26 -1.42 120.64 116.22 1pla n GLU 53 Ca 0.00 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 56.99 1pla n GLU 53 Cb 0.88 -1.32 -0.14 0.00 -0.02 0.00 0.00 31.44 30.84 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 -0.82 0.68 -0.08 3.49 3.00 -1.17 -4.54 118.16 118.71 1pla n LYS 54 Ca 0.11 0.13 -0.07 0.00 -0.00 0.00 0.00 58.31 58.49 1pla n LYS 54 Cb 0.05 -1.58 -0.16 0.00 0.00 0.00 0.00 35.03 33.34 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 -3.11 1.17 -1.49 3.15 -5.35 -1.13 -4.97 119.36 107.63 1pla n ILE 55 Ca -0.36 -0.80 -0.34 0.00 -0.27 0.00 0.00 62.75 60.98 1pla n ILE 55 Cb 1.06 -0.40 0.08 0.00 -1.74 0.00 0.00 39.64 38.65 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 -5.34 4.42 -0.46 7.28 0.01 -0.51 -4.97 113.70 114.12 1pla s SER 56 Ca -0.10 2.23 0.05 0.00 1.31 0.00 0.00 55.95 59.44 1pla s SER 56 Cb 0.07 -2.57 0.20 0.00 0.21 0.00 0.00 66.02 63.92 1pla s SER 56 CO 0.84 -2.11 0.43 0.00 0.41 0.00 0.00 173.24 172.82 1pla n GLN 57 N -2.72 0.70 0.00 12.44 0.00 -0.91 -4.93 117.38 121.96 1pla n GLN 57 Ca 0.12 -3.47 0.00 0.00 0.00 0.00 0.00 57.00 53.65 1pla n GLN 57 Cb 0.51 -1.68 0.00 0.00 0.00 0.00 0.00 30.24 29.07 1pla n GLN 57 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.06 174.76 1pla n PRO 58 N 2.22 0.00 -2.21 2.61 -0.02 -1.26 -4.33 135.00 132.02 1pla n PRO 58 Ca 0.26 0.14 -0.32 0.00 -2.02 0.00 0.00 63.50 61.56 1pla n PRO 58 Cb 0.47 -1.52 -0.04 0.00 -0.02 0.00 0.00 33.50 32.39 1pla n PRO 58 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1pla s GLU 59 N -2.20 2.87 1.02 -0.52 2.12 -1.26 -4.95 118.70 115.77 1pla s GLU 59 Ca 0.00 -0.41 -0.21 0.00 0.36 0.00 0.00 54.97 54.70 1pla s GLU 59 Cb 0.00 -5.03 -0.10 0.00 0.26 0.00 0.00 34.13 29.26 1pla s GLU 59 CO 0.00 -2.94 -0.82 0.66 -0.54 0.00 0.00 175.26 171.62 1pla n TYR 60 N 12.28 -2.55 -3.56 5.30 4.01 -1.26 -4.95 117.16 126.42 1pla n TYR 60 Ca 0.34 0.31 -0.22 0.00 -0.16 0.00 0.00 57.90 58.17 1pla n TYR 60 Cb 0.49 -1.48 -0.15 0.00 -0.31 0.00 0.00 39.34 37.89 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 5.28 0.12 0.00 7.72 2.34 -1.19 -4.98 118.68 127.98 1pla s LEU 61 Ca 0.43 -0.40 0.18 0.00 0.06 0.00 0.00 54.13 54.41 1pla s LEU 61 Cb -0.06 0.06 -0.08 0.00 -0.56 0.00 0.00 46.19 45.55 1pla s LEU 61 CO 0.71 -0.33 0.87 -0.46 -1.06 0.00 0.00 176.35 176.08 1pla n ASN 62 N 5.30 1.42 -4.78 1.48 0.23 -1.26 -2.37 115.26 115.27 1pla n ASN 62 Ca -0.06 -1.21 -0.34 0.00 -0.53 0.00 0.00 54.58 52.44 1pla n ASN 62 Cb 0.49 0.68 0.01 0.00 -2.08 0.00 0.00 39.78 38.89 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 -2.35 2.41 -0.53 4.83 0.00 -1.26 -4.84 107.32 105.58 1pla s GLY 63 Ca 0.12 0.66 -0.19 0.00 0.00 0.00 0.00 44.72 45.31 1pla s GLY 63 CO 0.58 1.00 0.63 0.00 0.00 0.00 0.00 173.10 175.31 1pla s ALA 64 N -2.05 3.41 0.00 3.20 0.00 -1.26 -3.87 121.76 121.18 1pla s ALA 64 Ca 0.69 -1.91 0.00 0.00 0.00 0.00 0.00 51.96 50.74 1pla s ALA 64 Cb -0.21 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.53 1pla s ALA 64 CO 0.31 -2.08 0.00 0.41 0.00 0.00 0.00 175.76 174.40 1pla n GLY 65 N 5.21 1.20 3.74 0.00 0.00 -1.19 -5.07 105.19 109.07 1pla n GLY 65 Ca -0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.14 2.94 0.16 1.61 0.41 -1.25 -4.63 118.70 117.80 1pla s GLU 66 Ca 0.00 2.11 -0.09 0.00 -0.41 0.00 0.00 54.97 56.59 1pla s GLU 66 Cb 0.00 -2.08 -0.01 0.00 -1.78 0.00 0.00 34.13 30.26 1pla s GLU 66 CO 0.00 -1.31 0.27 0.95 -0.49 0.00 0.00 175.26 174.68 1pla s THR 67 N -1.38 0.07 0.04 3.63 -4.23 -1.26 -1.81 115.64 110.70 1pla s THR 67 Ca 0.76 -1.41 0.02 0.00 -1.18 0.00 0.00 61.69 59.87 1pla s THR 67 Cb -0.38 -1.85 -0.02 0.00 1.34 0.00 0.00 72.50 71.59 1pla s THR 67 CO 0.43 -0.31 -0.06 -0.47 -0.54 0.00 0.00 174.62 173.67 1pla s TYR 68 N -3.97 0.58 0.11 3.99 6.14 -0.07 -4.95 117.35 119.17 1pla s TYR 68 Ca 0.17 -0.54 0.05 0.00 0.64 0.00 0.00 57.07 57.39 1pla s TYR 68 Cb 0.03 -0.35 -0.04 0.00 0.42 0.00 0.00 41.96 42.02 1pla s TYR 68 CO 0.00 -0.12 0.03 -1.21 0.64 0.00 0.00 175.55 174.89 1pla s GLU 69 N -1.73 2.63 -0.15 4.97 8.01 -1.26 -0.09 118.70 131.08 1pla s GLU 69 Ca -0.10 -0.86 -0.11 0.00 0.01 0.00 0.00 54.97 53.91 1pla s GLU 69 Cb -0.09 -2.56 0.04 0.00 -4.31 0.00 0.00 34.13 27.22 1pla s GLU 69 CO -0.00 0.52 0.37 0.08 0.01 0.00 0.00 175.26 176.24 1pla s VAL 70 N -1.45 -0.01 -0.37 2.63 1.01 0.67 -4.97 120.40 117.90 1pla s VAL 70 Ca 0.27 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.30 1pla s VAL 70 Cb -0.11 -0.53 0.13 0.00 0.00 0.00 0.00 36.38 35.86 1pla s VAL 70 CO 0.20 0.02 0.20 -0.89 0.00 0.00 0.00 175.10 174.62 1pla s THR 71 N 0.69 0.60 0.60 3.92 2.01 -1.26 -0.39 115.64 121.81 1pla s THR 71 Ca -0.04 -1.84 -0.12 0.00 0.31 0.00 0.00 61.69 60.00 1pla s THR 71 Cb -0.05 -1.44 -0.05 0.00 0.01 0.00 0.00 72.50 70.97 1pla s THR 71 CO -0.05 -0.90 1.02 -0.76 -0.69 0.00 0.00 174.62 173.25 1pla s LEU 72 N 1.02 3.32 -0.31 4.42 1.43 -1.26 -4.98 118.68 122.31 1pla s LEU 72 Ca 0.16 1.46 0.17 0.00 -1.03 0.00 0.00 54.13 54.89 1pla s LEU 72 Cb -0.22 -4.48 0.45 0.00 0.03 0.00 0.00 46.19 41.97 1pla s LEU 72 CO -0.06 -0.82 1.31 0.35 0.23 0.00 0.00 176.35 177.35 1pla n THR 73 N -2.49 0.58 -3.58 5.49 -2.24 -1.26 -3.71 114.28 107.07 1pla n THR 73 Ca 0.06 -1.97 -0.27 0.00 -2.27 0.00 0.00 64.05 59.60 1pla n THR 73 Cb 0.54 1.09 -0.16 0.00 -2.10 0.00 0.00 70.33 69.69 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 -1.66 0.11 -0.50 -0.78 2.02 -1.26 -4.98 118.70 111.65 1pla s GLU 74 Ca 0.19 -0.26 -0.45 0.00 0.02 0.00 0.00 54.97 54.47 1pla s GLU 74 Cb 0.40 -1.56 -0.19 0.00 0.10 0.00 0.00 34.13 32.88 1pla s GLU 74 CO -0.08 -0.81 2.01 1.17 0.02 0.00 0.00 175.26 177.58 1pla n LYS 75 N 5.27 0.02 0.00 1.61 4.81 -1.26 -4.65 118.16 123.96 1pla n LYS 75 Ca -0.07 0.01 0.00 0.00 -0.87 0.00 0.00 58.31 57.38 1pla n LYS 75 Cb 0.46 -1.52 0.00 0.00 0.02 0.00 0.00 35.03 34.00 1pla n LYS 75 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1pla n GLY 76 N 6.66 -0.65 2.91 3.14 0.00 -0.97 -4.96 105.19 111.32 1pla n GLY 76 Ca 0.49 -0.53 -0.14 0.00 0.00 0.00 0.00 46.02 45.85 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 0.19 -0.08 2.61 -4.23 -1.26 -1.85 115.64 107.02 1pla s THR 77 Ca 0.00 -0.09 0.02 0.00 -1.18 0.00 0.00 61.69 60.44 1pla s THR 77 Cb 0.00 -0.18 0.01 0.00 1.34 0.00 0.00 72.50 73.68 1pla s THR 77 CO 0.00 0.06 -0.15 -0.31 -0.54 0.00 0.00 174.62 173.68 1pla s TYR 78 N 0.00 1.77 -0.22 3.99 1.51 -0.96 -4.22 117.35 119.22 1pla s TYR 78 Ca 0.00 -0.72 -0.07 0.00 -1.01 0.00 0.00 57.07 55.27 1pla s TYR 78 Cb -0.02 -1.26 -0.03 0.00 -0.11 0.00 0.00 41.96 40.53 1pla s TYR 78 CO -0.00 -0.35 0.07 0.15 -1.11 0.00 0.00 175.55 174.31 1pla s LYS 79 N 0.70 3.78 0.28 -0.62 3.01 -1.26 -2.39 119.74 123.24 1pla s LYS 79 Ca -0.13 -0.43 0.02 0.00 -1.01 0.00 0.00 55.97 54.42 1pla s LYS 79 Cb -0.16 -3.28 -0.05 0.00 -1.01 0.00 0.00 37.83 33.33 1pla s LYS 79 CO 0.03 -0.01 0.12 -0.59 0.51 0.00 0.00 175.35 175.41 1pla s PHE 80 N 1.13 1.57 0.00 3.18 -0.71 -0.52 -1.87 117.98 120.76 1pla s PHE 80 Ca 0.04 -1.25 0.00 0.00 -1.04 0.00 0.00 56.93 54.68 1pla s PHE 80 Cb -0.14 -0.90 0.00 0.00 -1.21 0.00 0.00 43.02 40.77 1pla s PHE 80 CO 0.03 -0.40 0.00 2.48 -1.34 0.00 0.00 175.22 176.00 1pla n TYR 81 N -0.52 -0.39 -4.97 3.49 4.11 -0.93 0.14 117.16 118.09 1pla n TYR 81 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 57.90 57.58 1pla n TYR 81 Cb 0.66 0.00 -0.15 0.00 -0.00 0.00 0.00 39.34 39.84 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 6.70 0.31 -0.21 0.00 5.08 -1.91 -2.47 114.58 122.08 1pla h GLU 83 Ca -0.23 -0.22 -0.04 0.00 -1.00 0.00 0.00 59.36 57.88 1pla h GLU 83 Cb 1.22 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.50 1pla h GLU 83 CO 0.52 0.83 -0.02 -1.00 -1.00 0.00 0.00 179.01 178.34 1pla h PRO 84 N -0.17 0.39 -0.80 2.33 0.14 -1.93 -2.87 132.00 129.09 1pla h PRO 84 Ca -0.00 -0.14 -0.03 0.00 0.14 0.00 0.00 66.00 65.97 1pla h PRO 84 Cb 0.84 -0.03 -0.02 0.00 0.14 0.00 0.00 31.00 31.94 1pla h PRO 84 CO 0.05 0.61 0.04 0.72 0.14 0.00 0.00 178.00 179.55 1pla n HIS 85 N -4.65 1.16 0.32 1.56 8.25 -1.25 -4.14 115.22 116.46 1pla n HIS 85 Ca -0.04 -0.47 0.14 0.00 -0.26 0.00 0.00 57.72 57.09 1pla n HIS 85 Cb 0.26 -0.35 0.65 0.00 1.12 0.00 0.00 29.99 31.66 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 2.89 1.00 0.00 -1.41 0.00 -1.20 -1.87 119.26 118.67 1pla h ALA 86 Ca 0.04 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1pla h ALA 86 Cb 1.36 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 1pla h ALA 86 CO 0.30 0.00 -0.36 0.78 0.00 0.00 0.00 179.25 179.97 1pla h GLY 87 N 1.53 0.00 1.34 0.00 0.00 -1.82 -3.05 103.07 101.07 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 -0.52 0.00 0.00 0.00 0.00 176.54 176.02 1pla h ALA 88 N 1.64 0.67 -0.01 3.60 0.00 -1.67 -3.47 119.26 120.03 1pla h ALA 88 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1pla h ALA 88 Cb 1.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1pla h ALA 88 CO 0.05 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.71 1pla n GLY 89 N 1.31 1.73 3.57 0.00 0.00 -1.15 -5.04 105.19 105.61 1pla n GLY 89 Ca 0.03 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.02 3.38 0.26 1.61 0.00 -1.13 -4.92 119.30 117.49 1pla s MET 90 Ca 0.00 0.10 0.04 0.00 0.00 0.00 0.00 55.69 55.83 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 -1.87 0.00 -1.59 0.00 0.00 0.00 175.02 171.56 1pla s LYS 91 N 5.29 1.45 0.04 4.11 -2.85 -1.26 -2.49 119.74 124.03 1pla s LYS 91 Ca 0.41 -1.75 -0.09 0.00 -1.00 0.00 0.00 55.97 53.54 1pla s LYS 91 Cb -0.08 -0.78 0.00 0.00 -2.06 0.00 0.00 37.83 34.91 1pla s LYS 91 CO 0.22 -0.09 0.19 0.20 0.10 0.00 0.00 175.35 175.96 1pla s GLY 92 N -3.38 0.05 -0.15 0.59 0.00 0.38 -4.38 107.32 100.43 1pla s GLY 92 Ca 0.31 -0.33 -0.21 0.00 0.00 0.00 0.00 44.72 44.49 1pla s GLY 92 CO 0.11 -0.50 0.54 -0.54 0.00 0.00 0.00 173.10 172.71 1pla s GLU 93 N -2.66 0.72 -0.03 2.90 2.02 -1.00 -1.44 118.70 119.21 1pla s GLU 93 Ca -0.04 0.52 -0.00 0.00 0.02 0.00 0.00 54.97 55.46 1pla s GLU 93 Cb -0.01 0.35 0.03 0.00 0.10 0.00 0.00 34.13 34.60 1pla s GLU 93 CO -0.04 -0.14 0.02 0.54 0.02 0.00 0.00 175.26 175.66 1pla s VAL 94 N -0.24 0.03 -0.39 2.63 0.11 -1.01 -2.30 120.40 119.23 1pla s VAL 94 Ca -0.04 0.19 -0.09 0.00 -2.93 0.00 0.00 61.98 59.11 1pla s VAL 94 Cb -0.03 -0.16 0.06 0.00 -1.53 0.00 0.00 36.38 34.71 1pla s VAL 94 CO 0.03 0.12 0.22 -0.89 -3.33 0.00 0.00 175.10 171.25 1pla s THR 95 N 1.19 4.20 0.16 5.04 2.01 -1.02 -2.27 115.64 124.96 1pla s THR 95 Ca -0.07 -1.25 -0.27 0.00 0.31 0.00 0.00 61.69 60.40 1pla s THR 95 Cb -0.13 -3.49 -0.07 0.00 0.01 0.00 0.00 72.50 68.81 1pla s THR 95 CO -0.03 -0.39 0.86 -0.69 -0.69 0.00 0.00 174.62 173.68 1pla s VAL 96 N 1.44 4.36 0.00 3.82 1.01 -0.77 -0.69 120.40 129.58 1pla s VAL 96 Ca 0.02 1.87 0.00 0.00 0.00 0.00 0.00 61.98 63.87 1pla s VAL 96 Cb -0.22 -4.22 0.00 0.00 0.00 0.00 0.00 36.38 31.94 1pla s VAL 96 CO 0.03 0.45 0.03 0.59 0.00 0.00 0.00 175.10 176.20