#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 3.80 -0.13 0.00 2.02 -1.26 -2.04 118.70 121.09 1pla s GLU 2 Ca 0.00 -0.42 0.02 0.00 0.02 0.00 0.00 54.97 54.59 1pla s GLU 2 Cb 0.00 -3.30 -0.00 0.00 0.10 0.00 0.00 34.13 30.92 1pla s GLU 2 CO 0.00 -0.00 -0.18 0.08 0.02 0.00 0.00 175.26 175.17 1pla s VAL 3 N 1.13 2.51 -0.29 2.63 1.01 -0.87 -4.47 120.40 122.06 1pla s VAL 3 Ca 0.05 -0.85 -0.09 0.00 0.00 0.00 0.00 61.98 61.09 1pla s VAL 3 Cb -0.14 -2.02 -0.02 0.00 0.00 0.00 0.00 36.38 34.19 1pla s VAL 3 CO 0.03 0.54 0.14 -0.54 0.00 0.00 0.00 175.10 175.27 1pla s LYS 4 N 0.49 3.57 -0.48 2.72 1.02 0.11 -0.02 119.74 127.16 1pla s LYS 4 Ca -0.12 -0.55 -0.29 0.00 0.02 0.00 0.00 55.97 55.02 1pla s LYS 4 Cb -0.17 -3.52 0.02 0.00 -0.52 0.00 0.00 37.83 33.65 1pla s LYS 4 CO 0.05 -0.30 1.25 -0.51 -0.92 0.00 0.00 175.35 174.93 1pla s LEU 5 N 1.65 3.58 0.00 3.17 1.43 0.60 -2.70 118.68 126.40 1pla s LEU 5 Ca 0.06 0.51 0.00 0.00 -1.03 0.00 0.00 54.13 53.67 1pla s LEU 5 Cb -0.16 -3.46 0.00 0.00 0.03 0.00 0.00 46.19 42.60 1pla s LEU 5 CO 0.07 -1.38 0.00 0.61 0.23 0.00 0.00 176.35 175.88 1pla n GLY 6 N 4.99 2.13 3.88 -3.19 0.00 -1.08 -2.66 105.19 109.26 1pla n GLY 6 Ca 0.13 -1.16 -0.30 0.00 0.00 0.00 0.00 46.02 44.69 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 0.08 1.61 1.04 0.11 -4.48 113.70 117.15 1pla s SER 7 Ca 0.00 1.05 0.09 0.00 0.48 0.00 0.00 55.95 57.58 1pla s SER 7 Cb 0.00 -1.77 -0.20 0.00 0.10 0.00 0.00 66.02 64.15 1pla s SER 7 CO 0.00 -1.56 1.11 0.44 0.98 0.00 0.00 173.24 174.21 1pla h ASP 8 N -0.81 0.00 0.14 7.02 3.32 -1.96 -3.23 116.42 120.90 1pla h ASP 8 Ca -0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.60 1pla h ASP 8 Cb 1.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.83 1pla h ASP 8 CO 0.64 0.96 0.00 -0.90 -1.72 0.00 0.00 179.24 178.22 1pla n ASP 9 N -3.25 0.00 -0.33 6.45 5.75 -1.26 -4.79 116.55 119.12 1pla n ASP 9 Ca -0.05 0.10 0.00 0.00 -0.01 0.00 0.00 54.79 54.83 1pla n ASP 9 Cb 0.96 -0.25 0.00 0.00 -1.03 0.00 0.00 41.12 40.80 1pla n ASP 9 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1pla n GLY 10 N -0.52 0.88 3.34 6.12 0.00 -1.22 -5.13 105.19 108.66 1pla n GLY 10 Ca 0.05 -0.70 -0.13 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.19 -0.32 -0.53 -0.02 0.00 -1.25 -5.00 107.32 98.01 1pla s GLY 11 Ca 0.00 0.43 -0.15 0.00 0.00 0.00 0.00 44.72 45.00 1pla s GLY 11 CO 0.00 0.16 0.48 1.08 0.00 0.00 0.00 173.10 174.81 1pla s LEU 12 N -1.91 6.11 0.07 0.66 1.43 -1.26 0.08 118.68 123.87 1pla s LEU 12 Ca -0.06 -1.82 -0.13 0.00 -1.03 0.00 0.00 54.13 51.09 1pla s LEU 12 Cb -0.01 -2.18 0.02 0.00 0.03 0.00 0.00 46.19 44.05 1pla s LEU 12 CO -0.01 -0.83 0.30 0.68 0.23 0.00 0.00 176.35 176.72 1pla s VAL 13 N 1.55 0.10 -0.41 -1.59 -7.23 -1.26 -4.30 120.40 107.26 1pla s VAL 13 Ca 0.04 -0.78 -0.29 0.00 -1.81 0.00 0.00 61.98 59.13 1pla s VAL 13 Cb -0.29 -1.10 0.02 0.00 0.56 0.00 0.00 36.38 35.57 1pla s VAL 13 CO 0.02 -0.43 1.20 -0.36 -0.31 0.00 0.00 175.10 175.22 1pla s PHE 14 N -3.19 2.78 -0.30 2.82 0.08 -1.26 -2.62 117.98 116.29 1pla s PHE 14 Ca -0.00 0.82 -0.01 0.00 0.12 0.00 0.00 56.93 57.86 1pla s PHE 14 Cb 0.01 -4.19 0.06 0.00 -0.57 0.00 0.00 43.02 38.33 1pla s PHE 14 CO -0.07 -1.38 -0.01 -1.12 -0.10 0.00 0.00 175.22 172.54 1pla s SER 15 N 2.63 4.81 1.30 1.36 0.01 -1.10 -0.97 113.70 121.75 1pla s SER 15 Ca 0.51 -1.40 -0.21 0.00 1.31 0.00 0.00 55.95 56.17 1pla s SER 15 Cb -0.11 -1.68 0.32 0.00 0.21 0.00 0.00 66.02 64.77 1pla s SER 15 CO 0.28 -0.27 1.03 -2.16 0.41 0.00 0.00 173.24 172.52 1pla s PRO 16 N 1.19 -1.98 -0.22 12.44 0.05 -1.26 0.09 135.00 145.31 1pla s PRO 16 Ca -0.04 0.06 -0.18 0.00 0.05 0.00 0.00 61.00 60.89 1pla s PRO 16 Cb -0.20 -1.50 -0.14 0.00 0.05 0.00 0.00 34.50 32.71 1pla s PRO 16 CO -0.02 -4.24 -0.04 -1.13 0.05 0.00 0.00 177.00 171.62 1pla n SER 17 N -5.16 1.89 -3.89 6.66 3.41 -0.14 -4.88 113.62 111.51 1pla n SER 17 Ca 0.12 0.41 -0.11 0.00 -0.26 0.00 0.00 58.87 59.03 1pla n SER 17 Cb 0.59 -0.90 -0.13 0.00 -0.26 0.00 0.00 64.21 63.51 1pla n SER 17 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1pla s SER 18 N -6.89 0.04 -0.09 4.04 1.04 -1.26 -2.53 113.70 108.05 1pla s SER 18 Ca -0.31 -0.09 -0.30 0.00 0.48 0.00 0.00 55.95 55.73 1pla s SER 18 Cb 0.08 0.02 0.09 0.00 0.10 0.00 0.00 66.02 66.31 1pla s SER 18 CO 0.51 -0.06 0.78 0.72 0.98 0.00 0.00 173.24 176.17 1pla s PHE 19 N -0.28 -0.58 0.40 5.02 -0.71 -1.03 -5.00 117.98 115.81 1pla s PHE 19 Ca -0.03 1.02 -0.03 0.00 -1.04 0.00 0.00 56.93 56.85 1pla s PHE 19 Cb -0.02 0.42 -0.04 0.00 -1.21 0.00 0.00 43.02 42.17 1pla s PHE 19 CO -0.00 -0.52 0.65 0.95 -1.34 0.00 0.00 175.22 174.96 1pla s THR 20 N -1.08 5.01 0.27 -4.49 -4.23 -1.26 -1.97 115.64 107.89 1pla s THR 20 Ca -0.08 -0.10 -0.09 0.00 -1.18 0.00 0.00 61.69 60.23 1pla s THR 20 Cb -0.00 -3.85 -0.01 0.00 1.34 0.00 0.00 72.50 69.98 1pla s THR 20 CO 0.07 -0.65 0.45 0.68 -0.54 0.00 0.00 174.62 174.62 1pla s VAL 21 N -2.47 0.00 0.23 2.29 -7.23 -0.20 -4.85 120.40 108.17 1pla s VAL 21 Ca 0.44 -1.50 -0.14 0.00 -1.81 0.00 0.00 61.98 58.97 1pla s VAL 21 Cb -0.10 -2.35 -0.08 0.00 0.56 0.00 0.00 36.38 34.41 1pla s VAL 21 CO 0.39 0.00 0.62 0.00 -0.31 0.00 0.00 175.10 175.79 1pla s ALA 22 N -3.78 3.49 -0.75 1.32 0.00 -1.26 -0.11 121.76 120.68 1pla s ALA 22 Ca 0.26 -0.10 -0.27 0.00 0.00 0.00 0.00 51.96 51.84 1pla s ALA 22 Cb 0.00 -2.59 -0.26 0.00 0.00 0.00 0.00 23.12 20.27 1pla s ALA 22 CO 0.12 0.43 1.92 0.00 0.00 0.00 0.00 175.76 178.23 1pla n ALA 23 N 0.20 0.78 0.00 0.00 0.00 -1.26 -1.45 120.51 118.77 1pla n ALA 23 Ca -0.01 -2.54 0.00 0.00 0.00 0.00 0.00 53.44 50.90 1pla n ALA 23 Cb 0.52 -3.51 0.00 0.00 0.00 0.00 0.00 19.45 16.47 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 5.64 0.00 3.88 0.00 0.00 -1.23 -4.89 105.19 108.60 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 3.63 -0.09 1.61 2.56 -0.53 -5.06 118.70 120.82 1pla s GLU 25 Ca 0.00 -0.02 -0.23 0.00 0.00 0.00 0.00 54.97 54.72 1pla s GLU 25 Cb 0.00 -3.01 -0.03 0.00 2.00 0.00 0.00 34.13 33.08 1pla s GLU 25 CO 0.00 0.59 0.69 0.15 -0.56 0.00 0.00 175.26 176.12 1pla s LYS 26 N -2.00 4.39 -0.09 4.30 1.02 -1.26 -4.52 119.74 121.58 1pla s LYS 26 Ca 0.32 0.83 0.04 0.00 0.02 0.00 0.00 55.97 57.17 1pla s LYS 26 Cb -0.13 -3.47 -0.01 0.00 -0.52 0.00 0.00 37.83 33.70 1pla s LYS 26 CO 0.19 0.00 -0.22 0.42 -0.92 0.00 0.00 175.35 174.82 1pla s ILE 27 N 1.03 2.30 -0.15 2.17 1.01 -0.91 -0.84 121.20 125.81 1pla s ILE 27 Ca 0.36 -0.95 -0.00 0.00 0.00 0.00 0.00 60.65 60.05 1pla s ILE 27 Cb -0.17 -1.89 0.04 0.00 0.01 0.00 0.00 42.46 40.45 1pla s ILE 27 CO 0.16 0.56 -0.07 0.42 0.00 0.00 0.00 174.94 176.01 1pla s THR 28 N 0.15 1.14 -0.47 2.92 -4.23 -0.87 -1.24 115.64 113.04 1pla s THR 28 Ca -0.12 -0.54 -0.26 0.00 -1.18 0.00 0.00 61.69 59.60 1pla s THR 28 Cb -0.16 -1.24 0.03 0.00 1.34 0.00 0.00 72.50 72.46 1pla s THR 28 CO 0.06 0.22 0.94 -0.36 -0.54 0.00 0.00 174.62 174.95 1pla s PHE 29 N 1.64 2.90 -0.11 3.99 0.08 -0.51 -2.05 117.98 123.92 1pla s PHE 29 Ca 0.02 0.38 -0.03 0.00 0.12 0.00 0.00 56.93 57.42 1pla s PHE 29 Cb -0.14 -4.01 -0.03 0.00 -0.57 0.00 0.00 43.02 38.26 1pla s PHE 29 CO -0.08 -1.13 0.02 0.21 -0.10 0.00 0.00 175.22 174.13 1pla s LYS 30 N 3.82 3.19 -0.54 0.44 2.20 0.97 -2.01 119.74 127.81 1pla s LYS 30 Ca 0.37 -0.38 -0.26 0.00 -0.36 0.00 0.00 55.97 55.34 1pla s LYS 30 Cb -0.10 -2.89 0.03 0.00 -1.51 0.00 0.00 37.83 33.37 1pla s LYS 30 CO 0.26 0.63 1.05 -0.80 -0.36 0.00 0.00 175.35 176.13 1pla s ASN 31 N -0.66 6.43 -0.05 1.43 -0.87 -1.08 -0.29 114.94 119.85 1pla s ASN 31 Ca 0.11 -0.04 0.11 0.00 -1.57 0.00 0.00 52.86 51.47 1pla s ASN 31 Cb -0.12 -2.49 -0.23 0.00 -0.02 0.00 0.00 41.25 38.39 1pla s ASN 31 CO 0.02 -1.30 0.64 -3.20 -2.57 0.00 0.00 177.10 170.70 1pla n ASN 32 N 7.82 0.97 0.00 -1.22 5.15 -1.09 -3.57 115.26 123.32 1pla n ASN 32 Ca 0.06 0.40 0.00 0.00 -0.60 0.00 0.00 54.58 54.44 1pla n ASN 32 Cb 0.48 -0.13 0.00 0.00 -0.53 0.00 0.00 39.78 39.61 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 -2.59 0.00 0.00 5.20 0.00 -1.16 -4.98 120.51 116.98 1pla n ALA 33 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1pla n ALA 33 Cb 1.05 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.50 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 -0.80 3.25 0.00 0.00 -1.26 -4.40 105.19 101.98 1pla n GLY 34 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.54 -2.66 1.61 -1.74 -1.26 -4.62 117.46 106.25 1pla n PHE 35 Ca 0.00 0.17 -0.37 0.00 -0.56 0.00 0.00 57.45 56.69 1pla n PHE 35 Cb 0.00 -1.63 -0.05 0.00 1.52 0.00 0.00 39.48 39.32 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 -3.04 4.47 0.49 3.97 0.04 -1.26 -5.06 135.00 134.61 1pla s PRO 36 Ca 0.51 1.46 0.05 0.00 0.04 0.00 0.00 61.00 63.06 1pla s PRO 36 Cb -0.17 -2.80 -0.00 0.00 0.04 0.00 0.00 34.50 31.57 1pla s PRO 36 CO 0.72 0.14 0.26 -1.01 0.04 0.00 0.00 177.00 177.15 1pla s HIS 37 N -1.54 2.02 -0.03 0.56 3.76 -0.80 -4.92 115.29 114.32 1pla s HIS 37 Ca 0.51 -0.77 -0.18 0.00 -0.15 0.00 0.00 55.06 54.48 1pla s HIS 37 Cb -0.22 -1.88 0.03 0.00 1.11 0.00 0.00 32.58 31.62 1pla s HIS 37 CO 0.28 -0.13 0.39 1.21 -0.85 0.00 0.00 174.74 175.64 1pla s ASN 38 N -4.08 -0.30 -0.26 1.40 3.04 -1.26 -3.11 114.94 110.36 1pla s ASN 38 Ca 0.31 0.28 -0.02 0.00 0.04 0.00 0.00 52.86 53.46 1pla s ASN 38 Cb 0.00 0.41 0.09 0.00 -1.54 0.00 0.00 41.25 40.21 1pla s ASN 38 CO 0.18 -0.45 0.08 -0.63 -3.04 0.00 0.00 177.10 173.25 1pla s ILE 39 N -1.15 0.52 0.05 -5.21 1.09 -1.26 -3.82 121.20 111.42 1pla s ILE 39 Ca -0.12 -0.95 0.09 0.00 -1.10 0.00 0.00 60.65 58.57 1pla s ILE 39 Cb -0.04 -1.28 -0.03 0.00 -1.06 0.00 0.00 42.46 40.05 1pla s ILE 39 CO 0.05 -0.53 -0.24 -0.69 -0.10 0.00 0.00 174.94 173.42 1pla s VAL 40 N 1.82 2.30 -0.35 2.92 1.01 -0.86 0.23 120.40 127.48 1pla s VAL 40 Ca 0.06 -1.35 -0.13 0.00 0.00 0.00 0.00 61.98 60.56 1pla s VAL 40 Cb -0.17 -1.92 -0.01 0.00 0.00 0.00 0.00 36.38 34.28 1pla s VAL 40 CO -0.22 0.35 0.25 -0.36 0.00 0.00 0.00 175.10 175.13 1pla s PHE 41 N -0.84 3.23 -0.84 5.22 0.40 -1.26 -2.12 117.98 121.77 1pla s PHE 41 Ca 0.12 -0.25 -0.22 0.00 -0.60 0.00 0.00 56.93 55.98 1pla s PHE 41 Cb -0.10 -2.50 -0.18 0.00 0.51 0.00 0.00 43.02 40.74 1pla s PHE 41 CO 0.03 -0.39 2.28 -3.47 0.70 0.00 0.00 175.22 174.37 1pla n ASP 42 N 5.13 1.01 0.11 1.36 2.03 -0.64 -4.67 116.55 120.87 1pla n ASP 42 Ca -0.12 -1.44 0.03 0.00 0.52 0.00 0.00 54.79 53.77 1pla n ASP 42 Cb 0.49 -1.43 0.13 0.00 -0.72 0.00 0.00 41.12 39.60 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 7.97 0.04 -0.22 -0.67 0.28 -1.26 0.89 120.64 127.67 1pla n GLU 43 Ca 0.48 0.40 0.04 0.00 -0.16 0.00 0.00 57.16 57.93 1pla n GLU 43 Cb 0.38 -2.06 0.14 0.00 1.43 0.00 0.00 31.44 31.34 1pla n GLU 43 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1pla n ASP 44 N -1.66 2.00 -0.27 -1.84 9.92 -1.26 -3.81 116.55 119.63 1pla n ASP 44 Ca -0.00 -2.12 0.00 0.00 -0.53 0.00 0.00 54.79 52.14 1pla n ASP 44 Cb 0.45 -0.32 0.00 0.00 -0.64 0.00 0.00 41.12 40.61 1pla n ASP 44 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1pla n GLU 45 N 0.34 0.00 -4.04 -1.24 1.02 0.26 -5.11 120.64 111.85 1pla n GLU 45 Ca 0.10 -0.32 -0.26 0.00 -0.02 0.00 0.00 57.16 56.66 1pla n GLU 45 Cb 0.37 -0.21 -0.05 0.00 -0.02 0.00 0.00 31.44 31.53 1pla n GLU 45 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1pla s VAL 46 N 0.00 4.73 0.59 2.62 0.11 -1.20 -4.20 120.40 123.04 1pla s VAL 46 Ca 0.00 -0.97 -0.18 0.00 -2.93 0.00 0.00 61.98 57.90 1pla s VAL 46 Cb 0.00 -3.42 -0.06 0.00 -1.53 0.00 0.00 36.38 31.37 1pla s VAL 46 CO 0.00 -0.10 0.80 -2.65 -3.33 0.00 0.00 175.10 169.82 1pla n PRO 47 N -0.40 0.74 -0.67 1.54 -0.01 -1.26 -4.81 135.00 130.14 1pla n PRO 47 Ca -0.08 0.29 -0.06 0.00 -0.01 0.00 0.00 63.50 63.64 1pla n PRO 47 Cb 0.54 -1.99 0.00 0.00 -0.01 0.00 0.00 33.50 32.04 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 -1.73 4.52 0.00 3.55 0.00 -1.26 -3.47 120.51 122.13 1pla n ALA 48 Ca 0.13 -0.66 0.00 0.00 0.00 0.00 0.00 53.44 52.91 1pla n ALA 48 Cb 0.47 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.71 1pla n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pla n GLY 49 N 1.20 0.05 3.42 0.00 0.00 -1.26 -4.99 105.19 103.60 1pla n GLY 49 Ca 0.12 -0.03 -0.45 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.01 4.95 0.43 1.61 1.01 -1.23 -5.01 120.40 121.16 1pla s VAL 50 Ca 0.00 -1.75 -0.21 0.00 0.00 0.00 0.00 61.98 60.02 1pla s VAL 50 Cb 0.00 -4.68 -0.13 0.00 0.00 0.00 0.00 36.38 31.57 1pla s VAL 50 CO 0.00 -1.36 0.41 0.59 0.00 0.00 0.00 175.10 174.74 1pla n ASN 51 N 5.89 -1.48 -0.02 3.32 3.02 -1.26 -4.72 115.26 120.01 1pla n ASN 51 Ca 0.19 0.86 -0.08 0.00 -0.03 0.00 0.00 54.58 55.52 1pla n ASN 51 Cb 0.48 -1.05 -0.14 0.00 -0.61 0.00 0.00 39.78 38.46 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 -1.00 1.54 0.05 5.41 0.00 -1.26 -3.85 120.51 121.40 1pla n ALA 52 Ca 0.11 -0.78 0.01 0.00 0.00 0.00 0.00 53.44 52.78 1pla n ALA 52 Cb 0.41 -0.82 0.03 0.00 0.00 0.00 0.00 19.45 19.07 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 -3.01 0.02 -0.12 0.00 0.28 -1.26 -0.54 120.64 116.00 1pla n GLU 53 Ca -0.17 0.26 -0.17 0.00 -0.16 0.00 0.00 57.16 56.92 1pla n GLU 53 Cb 1.04 -1.50 -0.13 0.00 1.43 0.00 0.00 31.44 32.28 1pla n GLU 53 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1pla n LYS 54 N -1.27 0.66 -0.01 3.44 5.02 -1.25 -4.55 118.16 120.19 1pla n LYS 54 Ca 0.01 0.13 -0.07 0.00 -2.02 0.00 0.00 58.31 56.36 1pla n LYS 54 Cb 0.01 -1.53 -0.13 0.00 -0.02 0.00 0.00 35.03 33.36 1pla n LYS 54 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 1pla n ILE 55 N -3.19 1.53 -0.50 -0.18 -5.35 -0.73 -4.94 119.36 106.01 1pla n ILE 55 Ca -0.43 -0.78 -0.29 0.00 -0.27 0.00 0.00 62.75 60.98 1pla n ILE 55 Cb 1.02 -0.97 0.23 0.00 -1.74 0.00 0.00 39.64 38.18 1pla n ILE 55 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 1pla n SER 56 N -3.01 -2.55 -3.31 7.28 7.64 0.29 -4.91 113.62 115.06 1pla n SER 56 Ca -0.16 -0.31 -0.25 0.00 1.01 0.00 0.00 58.87 59.15 1pla n SER 56 Cb 1.02 -1.06 -0.08 0.00 -1.01 0.00 0.00 64.21 63.08 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 -3.84 1.11 0.00 1.43 6.02 0.14 -4.92 117.38 117.31 1pla n GLN 57 Ca 0.04 -3.61 0.00 0.00 -0.01 0.00 0.00 57.00 53.42 1pla n GLN 57 Cb 0.56 -1.57 0.00 0.00 1.02 0.00 0.00 30.24 30.25 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 1.51 0.00 -3.42 -1.09 -0.02 -1.26 -4.25 135.00 126.48 1pla n PRO 58 Ca 0.24 0.33 -0.44 0.00 -2.02 0.00 0.00 63.50 61.61 1pla n PRO 58 Cb 0.49 -1.51 -0.08 0.00 -0.02 0.00 0.00 33.50 32.37 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 -2.65 2.96 1.10 -0.52 2.12 -1.26 -5.06 118.70 115.39 1pla s GLU 59 Ca 0.00 -1.27 -0.18 0.00 0.36 0.00 0.00 54.97 53.89 1pla s GLU 59 Cb 0.00 -4.08 0.10 0.00 0.26 0.00 0.00 34.13 30.41 1pla s GLU 59 CO 0.00 -0.95 0.09 0.66 -0.54 0.00 0.00 175.26 174.52 1pla n TYR 60 N 5.18 -1.42 -3.77 5.30 4.01 -1.26 -4.95 117.16 120.25 1pla n TYR 60 Ca -0.12 0.14 -0.13 0.00 -0.16 0.00 0.00 57.90 57.63 1pla n TYR 60 Cb 0.45 -1.60 -0.11 0.00 -0.31 0.00 0.00 39.34 37.77 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 -1.41 0.89 0.00 7.72 0.05 -1.18 -5.03 118.68 119.73 1pla s LEU 61 Ca 0.56 0.50 0.00 0.00 0.05 0.00 0.00 54.13 55.24 1pla s LEU 61 Cb -0.13 1.04 0.00 0.00 -2.05 0.00 0.00 46.19 45.04 1pla s LEU 61 CO 0.66 -0.16 0.46 -0.46 -0.55 0.00 0.00 176.35 176.30 1pla n ASN 62 N 2.64 0.19 -4.70 1.48 6.94 -1.26 -1.91 115.26 118.64 1pla n ASN 62 Ca -0.14 -1.09 -0.42 0.00 -0.02 0.00 0.00 54.58 52.91 1pla n ASN 62 Cb 0.58 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 37.97 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 -0.09 1.63 -0.11 4.83 0.00 -1.26 -4.88 107.32 107.45 1pla s GLY 63 Ca 0.00 1.23 -0.30 0.00 0.00 0.00 0.00 44.72 45.66 1pla s GLY 63 CO 0.00 2.70 1.41 0.00 0.00 0.00 0.00 173.10 177.21 1pla s ALA 64 N 1.89 3.63 0.00 3.20 0.00 -1.26 -2.27 121.76 126.95 1pla s ALA 64 Ca 0.71 0.67 0.00 0.00 0.00 0.00 0.00 51.96 53.34 1pla s ALA 64 Cb -0.40 -3.65 0.00 0.00 0.00 0.00 0.00 23.12 19.06 1pla s ALA 64 CO 0.31 -1.20 0.00 0.41 0.00 0.00 0.00 175.76 175.28 1pla n GLY 65 N 3.78 2.57 3.73 0.00 0.00 -1.23 -5.01 105.19 109.02 1pla n GLY 65 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.31 2.41 0.24 1.61 8.01 -0.96 -4.57 118.70 125.13 1pla s GLU 66 Ca 0.00 1.87 -0.02 0.00 0.01 0.00 0.00 54.97 56.83 1pla s GLU 66 Cb 0.00 -1.85 -0.03 0.00 -4.31 0.00 0.00 34.13 27.94 1pla s GLU 66 CO 0.00 -1.65 0.25 0.95 0.01 0.00 0.00 175.26 174.81 1pla s THR 67 N -1.72 0.00 -0.04 3.63 -4.23 -1.26 -2.62 115.64 109.39 1pla s THR 67 Ca 0.78 -1.85 0.01 0.00 -1.18 0.00 0.00 61.69 59.44 1pla s THR 67 Cb -0.32 -2.46 0.02 0.00 1.34 0.00 0.00 72.50 71.09 1pla s THR 67 CO 0.41 0.00 -0.02 -0.47 -0.54 0.00 0.00 174.62 174.00 1pla s TYR 68 N -3.94 0.58 0.18 3.99 6.14 -0.85 -4.95 117.35 118.50 1pla s TYR 68 Ca 0.35 -0.13 0.02 0.00 0.64 0.00 0.00 57.07 57.96 1pla s TYR 68 Cb 0.04 -0.59 -0.04 0.00 0.42 0.00 0.00 41.96 41.80 1pla s TYR 68 CO 0.14 -0.19 0.32 -1.21 0.64 0.00 0.00 175.55 175.26 1pla s GLU 69 N 1.09 3.46 -0.17 4.97 8.01 -1.26 -1.43 118.70 133.37 1pla s GLU 69 Ca -0.09 -0.57 -0.22 0.00 0.01 0.00 0.00 54.97 54.11 1pla s GLU 69 Cb -0.14 -2.92 0.06 0.00 -4.31 0.00 0.00 34.13 26.82 1pla s GLU 69 CO -0.01 0.47 0.58 0.54 0.01 0.00 0.00 175.26 176.85 1pla s VAL 70 N -1.82 0.01 -0.36 2.63 0.11 -0.37 -5.00 120.40 115.60 1pla s VAL 70 Ca 0.35 -0.05 0.00 0.00 -2.93 0.00 0.00 61.98 59.36 1pla s VAL 70 Cb -0.11 -0.83 0.11 0.00 -1.53 0.00 0.00 36.38 34.02 1pla s VAL 70 CO 0.29 -0.03 0.15 -0.89 -3.33 0.00 0.00 175.10 171.29 1pla s THR 71 N -0.14 1.09 0.65 5.04 2.01 -1.26 -2.14 115.64 120.88 1pla s THR 71 Ca -0.03 -1.85 -0.11 0.00 0.31 0.00 0.00 61.69 60.01 1pla s THR 71 Cb -0.03 -1.80 -0.02 0.00 0.01 0.00 0.00 72.50 70.66 1pla s THR 71 CO 0.03 -0.76 1.05 -0.76 -0.69 0.00 0.00 174.62 173.49 1pla s LEU 72 N 1.13 3.12 -0.33 4.42 1.43 -1.26 -4.96 118.68 122.23 1pla s LEU 72 Ca 0.13 1.35 0.15 0.00 -1.03 0.00 0.00 54.13 54.74 1pla s LEU 72 Cb -0.20 -4.32 0.44 0.00 0.03 0.00 0.00 46.19 42.14 1pla s LEU 72 CO -0.14 -1.05 1.24 0.41 0.23 0.00 0.00 176.35 177.04 1pla n THR 73 N -2.86 0.53 -3.50 5.49 -1.04 -1.26 -3.48 114.28 108.17 1pla n THR 73 Ca 0.06 -2.09 -0.21 0.00 -2.04 0.00 0.00 64.05 59.77 1pla n THR 73 Cb 0.55 0.98 -0.13 0.00 -1.82 0.00 0.00 70.33 69.91 1pla n THR 73 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1pla s GLU 74 N -1.55 0.20 -0.45 -2.82 0.41 -1.26 -4.98 118.70 108.24 1pla s GLU 74 Ca 0.21 -0.07 -0.41 0.00 -0.41 0.00 0.00 54.97 54.30 1pla s GLU 74 Cb 0.41 -1.17 -0.17 0.00 -1.78 0.00 0.00 34.13 31.43 1pla s GLU 74 CO -0.05 -0.82 2.16 1.63 -0.49 0.00 0.00 175.26 177.69 1pla n LYS 75 N 5.30 0.34 0.00 1.61 4.01 -1.26 -4.64 118.16 123.52 1pla n LYS 75 Ca -0.05 0.09 0.00 0.00 -0.51 0.00 0.00 58.31 57.84 1pla n LYS 75 Cb 0.47 -1.81 0.00 0.00 -0.51 0.00 0.00 35.03 33.18 1pla n LYS 75 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1pla n GLY 76 N 7.19 -0.80 2.94 0.72 0.00 -0.78 -4.95 105.19 109.51 1pla n GLY 76 Ca 0.51 -0.28 -0.13 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.04 -0.11 2.61 -4.23 -1.26 -1.61 115.64 107.00 1pla s THR 77 Ca 0.00 0.15 0.04 0.00 -1.18 0.00 0.00 61.69 60.70 1pla s THR 77 Cb 0.00 -0.23 -0.00 0.00 1.34 0.00 0.00 72.50 73.61 1pla s THR 77 CO 0.00 0.06 -0.23 -0.31 -0.54 0.00 0.00 174.62 173.60 1pla s TYR 78 N 1.00 2.59 -0.26 3.99 1.51 -0.99 -4.45 117.35 120.73 1pla s TYR 78 Ca -0.08 -1.05 -0.10 0.00 -1.01 0.00 0.00 57.07 54.84 1pla s TYR 78 Cb -0.10 -1.73 -0.05 0.00 -0.11 0.00 0.00 41.96 39.98 1pla s TYR 78 CO -0.05 -0.42 0.16 0.15 -1.11 0.00 0.00 175.55 174.28 1pla s LYS 79 N 0.38 3.92 0.24 -0.62 3.01 -1.26 -2.43 119.74 122.97 1pla s LYS 79 Ca -0.18 -0.34 0.03 0.00 -1.01 0.00 0.00 55.97 54.47 1pla s LYS 79 Cb -0.18 -3.56 -0.05 0.00 -1.01 0.00 0.00 37.83 33.03 1pla s LYS 79 CO 0.08 -0.12 0.01 -0.59 0.51 0.00 0.00 175.35 175.24 1pla s PHE 80 N 1.56 1.57 0.10 3.18 -0.71 0.57 -1.63 117.98 122.62 1pla s PHE 80 Ca 0.07 -0.96 -0.16 0.00 -1.04 0.00 0.00 56.93 54.84 1pla s PHE 80 Cb -0.15 -0.92 0.06 0.00 -1.21 0.00 0.00 43.02 40.79 1pla s PHE 80 CO 0.08 -0.08 0.75 2.48 -1.34 0.00 0.00 175.22 177.11 1pla n TYR 81 N -0.43 -0.95 -3.91 3.49 4.11 -0.90 0.17 117.16 118.75 1pla n TYR 81 Ca -0.04 -0.80 -0.35 0.00 -0.00 0.00 0.00 57.90 56.71 1pla n TYR 81 Cb 0.64 0.39 -0.09 0.00 -0.00 0.00 0.00 39.34 40.28 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 6.55 0.35 0.21 0.00 4.22 -1.91 -2.81 114.58 121.20 1pla h GLU 83 Ca -0.40 -0.44 -0.01 0.00 0.08 0.00 0.00 59.36 58.59 1pla h GLU 83 Cb 1.16 0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.56 1pla h GLU 83 CO 0.72 1.14 -0.10 -1.35 -2.18 0.00 0.00 179.01 177.23 1pla h PRO 84 N -0.23 -0.28 -0.57 0.92 0.11 -1.95 -2.68 132.00 127.32 1pla h PRO 84 Ca -0.09 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.04 1pla h PRO 84 Cb 1.40 0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.57 1pla h PRO 84 CO 0.12 0.01 0.00 0.72 -0.21 0.00 0.00 178.00 178.65 1pla n HIS 85 N -5.09 0.16 0.06 0.65 8.25 -1.26 -4.06 115.22 113.92 1pla n HIS 85 Ca -0.09 -0.06 0.01 0.00 -0.26 0.00 0.00 57.72 57.31 1pla n HIS 85 Cb 0.22 -0.08 0.03 0.00 1.12 0.00 0.00 29.99 31.28 1pla n HIS 85 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1pla n ALA 86 N -0.09 1.49 0.60 -1.41 0.00 -1.01 -0.47 120.51 119.62 1pla n ALA 86 Ca 0.03 -0.01 0.11 0.00 0.00 0.00 0.00 53.44 53.57 1pla n ALA 86 Cb 0.22 -1.02 -0.00 0.00 0.00 0.00 0.00 19.45 18.65 1pla n ALA 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pla n GLY 87 N -0.98 -1.17 0.11 0.00 0.00 -1.26 -4.42 105.19 97.48 1pla n GLY 87 Ca 0.01 -0.44 -0.21 0.00 0.00 0.00 0.00 46.02 45.38 1pla n GLY 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pla n ALA 88 N -1.80 0.85 0.00 4.61 0.00 0.38 -5.01 120.51 119.54 1pla n ALA 88 Ca 0.02 -0.66 0.00 0.00 0.00 0.00 0.00 53.44 52.80 1pla n ALA 88 Cb 0.43 -0.27 0.00 0.00 0.00 0.00 0.00 19.45 19.61 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 1.41 0.00 3.55 0.00 0.00 -1.20 -5.09 105.19 103.86 1pla n GLY 89 Ca -0.34 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.30 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 0.00 2.83 0.20 1.61 1.00 -1.25 -4.81 119.30 118.88 1pla s MET 90 Ca 0.00 0.15 0.11 0.00 0.00 0.00 0.00 55.69 55.95 1pla s MET 90 Cb 0.00 -4.49 -0.04 0.00 0.00 0.00 0.00 34.83 30.30 1pla s MET 90 CO 0.00 -2.63 -0.23 -1.59 0.00 0.00 0.00 175.02 170.57 1pla s LYS 91 N 6.56 1.57 0.00 2.03 -2.85 -1.26 -2.22 119.74 123.57 1pla s LYS 91 Ca 0.58 -1.55 -0.02 0.00 -1.00 0.00 0.00 55.97 53.98 1pla s LYS 91 Cb -0.10 -1.85 -0.01 0.00 -2.06 0.00 0.00 37.83 33.82 1pla s LYS 91 CO 0.14 0.39 0.03 0.20 0.10 0.00 0.00 175.35 176.22 1pla s GLY 92 N -2.79 0.09 -0.11 0.59 0.00 0.46 -4.36 107.32 101.20 1pla s GLY 92 Ca 0.22 -0.20 -0.17 0.00 0.00 0.00 0.00 44.72 44.58 1pla s GLY 92 CO 0.11 -0.26 0.43 -0.54 0.00 0.00 0.00 173.10 172.84 1pla s GLU 93 N -0.80 0.61 -0.05 2.90 2.02 -1.05 -0.31 118.70 122.01 1pla s GLU 93 Ca -0.09 0.35 -0.00 0.00 0.02 0.00 0.00 54.97 55.25 1pla s GLU 93 Cb -0.05 0.29 0.03 0.00 0.10 0.00 0.00 34.13 34.49 1pla s GLU 93 CO -0.00 -0.12 0.01 0.54 0.02 0.00 0.00 175.26 175.70 1pla s VAL 94 N -0.35 0.22 -0.54 2.63 0.11 -1.02 -2.45 120.40 119.01 1pla s VAL 94 Ca -0.05 0.14 -0.13 0.00 -2.93 0.00 0.00 61.98 59.00 1pla s VAL 94 Cb -0.03 -0.36 0.13 0.00 -1.53 0.00 0.00 36.38 34.59 1pla s VAL 94 CO 0.03 0.19 0.46 -0.89 -3.33 0.00 0.00 175.10 171.56 1pla s THR 95 N 1.49 4.87 0.39 5.04 2.01 -0.83 -2.34 115.64 126.26 1pla s THR 95 Ca -0.03 -1.69 -0.23 0.00 0.31 0.00 0.00 61.69 60.05 1pla s THR 95 Cb -0.13 -4.14 -0.10 0.00 0.01 0.00 0.00 72.50 68.14 1pla s THR 95 CO -0.03 -0.85 0.95 -0.69 -0.69 0.00 0.00 174.62 173.32 1pla s VAL 96 N 1.39 4.28 -1.64 3.82 1.01 -0.63 -1.04 120.40 127.60 1pla s VAL 96 Ca 0.05 1.59 0.13 0.00 0.00 0.00 0.00 61.98 63.76 1pla s VAL 96 Cb -0.27 -3.75 0.10 0.00 0.00 0.00 0.00 36.38 32.47 1pla s VAL 96 CO 0.01 -0.14 0.92 0.59 0.00 0.00 0.00 175.10 176.47