#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 0.78 -0.24 0.00 8.01 -1.26 -2.46 118.70 123.52 1pla s GLU 2 Ca 0.00 -0.04 -0.09 0.00 0.01 0.00 0.00 54.97 54.85 1pla s GLU 2 Cb 0.00 -1.26 -0.04 0.00 -4.31 0.00 0.00 34.13 28.51 1pla s GLU 2 CO 0.00 -0.35 0.12 0.08 0.01 0.00 0.00 175.26 175.11 1pla s VAL 3 N 1.91 4.89 -0.31 2.63 1.01 -0.76 -4.58 120.40 125.19 1pla s VAL 3 Ca 0.04 0.02 -0.16 0.00 0.00 0.00 0.00 61.98 61.88 1pla s VAL 3 Cb -0.13 -3.28 -0.02 0.00 0.00 0.00 0.00 36.38 32.95 1pla s VAL 3 CO -0.06 0.35 0.41 -0.54 0.00 0.00 0.00 175.10 175.26 1pla s LYS 4 N 1.23 3.81 -0.46 2.72 -0.14 0.14 -0.16 119.74 126.87 1pla s LYS 4 Ca 0.06 -0.11 -0.24 0.00 -1.36 0.00 0.00 55.97 54.31 1pla s LYS 4 Cb -0.14 -3.73 0.03 0.00 -1.68 0.00 0.00 37.83 32.30 1pla s LYS 4 CO 0.05 -0.43 0.87 -0.51 -0.76 0.00 0.00 175.35 174.56 1pla s LEU 5 N 2.15 4.11 0.00 3.17 1.43 0.52 -2.46 118.68 127.60 1pla s LEU 5 Ca 0.15 0.00 0.00 0.00 -1.03 0.00 0.00 54.13 53.26 1pla s LEU 5 Cb -0.16 -3.09 0.00 0.00 0.03 0.00 0.00 46.19 42.97 1pla s LEU 5 CO 0.11 -1.00 0.00 0.61 0.23 0.00 0.00 176.35 176.30 1pla n GLY 6 N 4.96 0.07 3.26 -3.19 0.00 -1.11 -2.82 105.19 106.38 1pla n GLY 6 Ca 0.04 -0.76 -0.34 0.00 0.00 0.00 0.00 46.02 44.95 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 -3.51 -0.03 1.61 3.41 0.11 -3.80 113.62 111.41 1pla n SER 7 Ca 0.00 0.31 -0.13 0.00 -0.26 0.00 0.00 58.87 58.78 1pla n SER 7 Cb 0.00 -1.03 -0.11 0.00 -0.26 0.00 0.00 64.21 62.81 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 -1.21 -0.01 -0.89 4.04 3.32 -1.92 -3.27 116.42 116.48 1pla h ASP 8 Ca -0.44 -0.70 0.24 0.00 0.02 0.00 0.00 57.03 56.16 1pla h ASP 8 Cb 1.30 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.70 1pla h ASP 8 CO 0.31 0.70 0.17 -2.24 -1.72 0.00 0.00 179.24 176.46 1pla h ASP 9 N -0.73 -0.15 0.00 6.45 2.03 -2.01 -3.43 116.42 118.58 1pla h ASP 9 Ca -0.00 0.22 0.00 0.00 -0.73 0.00 0.00 57.03 56.52 1pla h ASP 9 Cb 0.71 0.33 0.00 0.00 -0.83 0.00 0.00 39.33 39.54 1pla h ASP 9 CO 0.00 -0.22 0.00 0.61 -1.03 0.00 0.00 179.24 178.60 1pla n GLY 10 N -1.41 -0.16 3.34 7.15 0.00 -1.23 -5.18 105.19 107.70 1pla n GLY 10 Ca 0.21 -0.11 -0.15 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.30 -0.69 -0.02 0.00 -1.25 -4.98 107.32 100.08 1pla s GLY 11 Ca 0.00 0.67 -0.15 0.00 0.00 0.00 0.00 44.72 45.24 1pla s GLY 11 CO 0.00 0.41 0.64 1.08 0.00 0.00 0.00 173.10 175.23 1pla s LEU 12 N -1.28 6.47 0.09 0.66 1.43 -1.26 0.09 118.68 124.88 1pla s LEU 12 Ca -0.13 -2.26 -0.13 0.00 -1.03 0.00 0.00 54.13 50.59 1pla s LEU 12 Cb -0.03 -2.21 0.02 0.00 0.03 0.00 0.00 46.19 43.99 1pla s LEU 12 CO 0.06 -0.71 0.30 0.68 0.23 0.00 0.00 176.35 176.91 1pla s VAL 13 N 0.87 0.10 -0.45 -1.59 -7.23 -1.26 -4.40 120.40 106.44 1pla s VAL 13 Ca 0.11 -0.80 -0.29 0.00 -1.81 0.00 0.00 61.98 59.19 1pla s VAL 13 Cb -0.20 -1.15 0.02 0.00 0.56 0.00 0.00 36.38 35.62 1pla s VAL 13 CO -0.03 -0.44 1.20 -0.36 -0.31 0.00 0.00 175.10 175.15 1pla s PHE 14 N -3.43 2.74 -0.30 2.82 0.08 -1.26 -2.74 117.98 115.89 1pla s PHE 14 Ca 0.01 0.73 -0.00 0.00 0.12 0.00 0.00 56.93 57.79 1pla s PHE 14 Cb 0.02 -4.37 0.06 0.00 -0.57 0.00 0.00 43.02 38.16 1pla s PHE 14 CO -0.09 -1.41 -0.01 -1.12 -0.10 0.00 0.00 175.22 172.49 1pla s SER 15 N 2.75 4.79 1.22 1.36 0.01 -1.03 -0.68 113.70 122.12 1pla s SER 15 Ca 0.51 -1.43 -0.18 0.00 1.31 0.00 0.00 55.95 56.16 1pla s SER 15 Cb -0.09 -1.67 0.29 0.00 0.21 0.00 0.00 66.02 64.76 1pla s SER 15 CO 0.31 -0.27 1.04 -2.16 0.41 0.00 0.00 173.24 172.57 1pla s PRO 16 N 1.18 -1.35 -0.08 12.44 0.05 -1.26 0.27 135.00 146.25 1pla s PRO 16 Ca -0.04 0.25 -0.07 0.00 0.05 0.00 0.00 61.00 61.19 1pla s PRO 16 Cb -0.20 -1.55 -0.02 0.00 0.05 0.00 0.00 34.50 32.77 1pla s PRO 16 CO -0.03 -3.86 -0.14 0.45 0.05 0.00 0.00 177.00 173.47 1pla n SER 17 N -4.93 0.95 -4.24 6.66 2.88 0.14 -4.88 113.62 110.21 1pla n SER 17 Ca 0.09 0.29 -0.32 0.00 -1.33 0.00 0.00 58.87 57.60 1pla n SER 17 Cb 0.58 -0.65 -0.16 0.00 -0.75 0.00 0.00 64.21 63.23 1pla n SER 17 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1pla s SER 18 N -4.82 3.31 -0.12 -3.46 1.04 -1.26 -2.53 113.70 105.86 1pla s SER 18 Ca -0.11 -0.52 -0.23 0.00 0.48 0.00 0.00 55.95 55.56 1pla s SER 18 Cb 0.02 -1.47 0.05 0.00 0.10 0.00 0.00 66.02 64.72 1pla s SER 18 CO 0.17 0.13 0.56 0.72 0.98 0.00 0.00 173.24 175.81 1pla s PHE 19 N 0.51 -0.55 0.45 5.02 -0.71 -1.03 -5.01 117.98 116.66 1pla s PHE 19 Ca -0.13 1.14 -0.06 0.00 -1.04 0.00 0.00 56.93 56.84 1pla s PHE 19 Cb -0.17 0.26 -0.04 0.00 -1.21 0.00 0.00 43.02 41.86 1pla s PHE 19 CO 0.05 -0.43 0.77 0.95 -1.34 0.00 0.00 175.22 175.21 1pla s THR 20 N -0.57 4.89 0.22 -4.49 -4.23 -1.26 -2.13 115.64 108.07 1pla s THR 20 Ca -0.07 0.26 -0.08 0.00 -1.18 0.00 0.00 61.69 60.62 1pla s THR 20 Cb -0.03 -3.83 -0.02 0.00 1.34 0.00 0.00 72.50 69.96 1pla s THR 20 CO 0.05 -0.75 0.34 0.68 -0.54 0.00 0.00 174.62 174.39 1pla s VAL 21 N -2.63 0.01 0.27 2.29 -7.23 -0.39 -4.84 120.40 107.89 1pla s VAL 21 Ca 0.48 -1.59 -0.17 0.00 -1.81 0.00 0.00 61.98 58.89 1pla s VAL 21 Cb -0.10 -2.23 -0.09 0.00 0.56 0.00 0.00 36.38 34.52 1pla s VAL 21 CO 0.41 -0.05 0.73 0.00 -0.31 0.00 0.00 175.10 175.88 1pla s ALA 22 N -4.05 3.37 -0.76 1.32 0.00 -1.26 -0.83 121.76 119.54 1pla s ALA 22 Ca 0.27 0.10 -0.24 0.00 0.00 0.00 0.00 51.96 52.08 1pla s ALA 22 Cb 0.02 -2.79 -0.18 0.00 0.00 0.00 0.00 23.12 20.17 1pla s ALA 22 CO 0.08 0.33 1.88 0.00 0.00 0.00 0.00 175.76 178.06 1pla n ALA 23 N 0.16 2.36 0.00 0.00 0.00 -1.24 -1.83 120.51 119.95 1pla n ALA 23 Ca 0.01 -3.08 0.00 0.00 0.00 0.00 0.00 53.44 50.37 1pla n ALA 23 Cb 0.52 -3.60 0.00 0.00 0.00 0.00 0.00 19.45 16.37 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 5.00 -0.12 3.94 0.00 0.00 -1.23 -4.88 105.19 107.90 1pla n GLY 24 Ca 0.48 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.23 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 3.47 -0.07 1.61 2.12 -0.76 -5.05 118.70 120.01 1pla s GLU 25 Ca 0.00 -0.50 -0.13 0.00 0.36 0.00 0.00 54.97 54.70 1pla s GLU 25 Cb 0.00 -2.92 -0.05 0.00 0.26 0.00 0.00 34.13 31.42 1pla s GLU 25 CO 0.00 0.47 0.32 0.15 -0.54 0.00 0.00 175.26 175.67 1pla s LYS 26 N -3.27 3.92 -0.34 4.30 1.02 -1.26 -4.32 119.74 119.79 1pla s LYS 26 Ca 0.36 0.21 -0.01 0.00 0.02 0.00 0.00 55.97 56.55 1pla s LYS 26 Cb -0.11 -3.28 0.08 0.00 -0.52 0.00 0.00 37.83 34.00 1pla s LYS 26 CO 0.29 0.57 0.07 0.42 -0.92 0.00 0.00 175.35 175.78 1pla s ILE 27 N -0.58 2.95 -0.35 2.17 1.01 0.11 -2.44 121.20 124.08 1pla s ILE 27 Ca 0.20 -1.78 -0.13 0.00 0.00 0.00 0.00 60.65 58.94 1pla s ILE 27 Cb -0.15 -2.89 -0.01 0.00 0.01 0.00 0.00 42.46 39.43 1pla s ILE 27 CO 0.09 -0.39 0.25 0.42 0.00 0.00 0.00 174.94 175.31 1pla s THR 28 N 1.15 5.28 -0.09 2.92 -4.23 -1.03 -1.22 115.64 118.42 1pla s THR 28 Ca 0.02 -0.27 -0.25 0.00 -1.18 0.00 0.00 61.69 60.01 1pla s THR 28 Cb -0.21 -3.74 -0.03 0.00 1.34 0.00 0.00 72.50 69.86 1pla s THR 28 CO -0.03 -0.05 0.78 -0.36 -0.54 0.00 0.00 174.62 174.41 1pla s PHE 29 N 1.72 3.53 -0.07 3.99 0.08 -0.86 -1.83 117.98 124.54 1pla s PHE 29 Ca 0.06 1.30 0.04 0.00 0.12 0.00 0.00 56.93 58.45 1pla s PHE 29 Cb -0.18 -2.91 0.00 0.00 -0.57 0.00 0.00 43.02 39.36 1pla s PHE 29 CO 0.10 -0.04 -0.18 0.21 -0.10 0.00 0.00 175.22 175.21 1pla s LYS 30 N 1.29 2.26 -0.14 0.44 2.20 0.77 -1.44 119.74 125.12 1pla s LYS 30 Ca 0.39 -0.66 -0.20 0.00 -0.36 0.00 0.00 55.97 55.15 1pla s LYS 30 Cb -0.18 -1.81 -0.03 0.00 -1.51 0.00 0.00 37.83 34.30 1pla s LYS 30 CO 0.17 0.15 0.57 0.54 -0.36 0.00 0.00 175.35 176.42 1pla s ASN 31 N 0.36 6.72 0.00 1.43 4.22 -0.95 -0.35 114.94 126.36 1pla s ASN 31 Ca -0.13 0.86 0.00 0.00 -2.14 0.00 0.00 52.86 51.45 1pla s ASN 31 Cb -0.16 -2.33 0.00 0.00 1.28 0.00 0.00 41.25 40.05 1pla s ASN 31 CO 0.05 -0.12 0.11 -0.46 -2.04 0.00 0.00 177.10 174.64 1pla n ASN 32 N 4.25 0.22 0.00 3.54 6.94 -1.13 -3.42 115.26 125.67 1pla n ASN 32 Ca -0.04 -0.56 0.00 0.00 -0.02 0.00 0.00 54.58 53.96 1pla n ASN 32 Cb 0.51 0.40 0.00 0.00 -2.36 0.00 0.00 39.78 38.32 1pla n ASN 32 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1pla n ALA 33 N -0.40 0.00 0.00 -2.53 0.00 -1.22 -4.94 120.51 111.42 1pla n ALA 33 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1pla n ALA 33 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.48 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 0.43 3.82 0.00 0.00 -1.26 -4.33 105.19 103.84 1pla n GLY 34 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1pla n GLY 34 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1pla s PHE 35 N -0.43 3.07 0.40 1.61 -0.71 -1.26 -4.42 117.98 116.24 1pla s PHE 35 Ca 0.00 1.27 -0.22 0.00 -1.04 0.00 0.00 56.93 56.93 1pla s PHE 35 Cb 0.00 -2.98 -0.11 0.00 -1.21 0.00 0.00 43.02 38.73 1pla s PHE 35 CO 0.00 -1.39 0.95 -1.25 -1.34 0.00 0.00 175.22 172.19 1pla s PRO 36 N -5.13 4.31 0.43 1.99 0.04 -1.26 -5.05 135.00 130.33 1pla s PRO 36 Ca 0.59 1.18 0.07 0.00 0.04 0.00 0.00 61.00 62.88 1pla s PRO 36 Cb -0.14 -2.34 -0.03 0.00 0.04 0.00 0.00 34.50 32.04 1pla s PRO 36 CO 0.54 0.04 0.28 -1.01 0.04 0.00 0.00 177.00 176.90 1pla s HIS 37 N -2.03 2.54 0.01 0.56 3.76 -0.95 -4.91 115.29 114.27 1pla s HIS 37 Ca 0.59 -0.58 -0.14 0.00 -0.15 0.00 0.00 55.06 54.78 1pla s HIS 37 Cb -0.12 -2.04 0.02 0.00 1.11 0.00 0.00 32.58 31.55 1pla s HIS 37 CO 0.16 -0.01 0.30 1.21 -0.85 0.00 0.00 174.74 175.55 1pla s ASN 38 N -4.04 -0.15 -0.15 1.40 2.47 -1.26 -3.13 114.94 110.08 1pla s ASN 38 Ca 0.43 -0.04 -0.02 0.00 0.42 0.00 0.00 52.86 53.66 1pla s ASN 38 Cb 0.00 0.32 0.04 0.00 -1.45 0.00 0.00 41.25 40.17 1pla s ASN 38 CO 0.24 -0.51 -0.01 -0.63 -3.72 0.00 0.00 177.10 172.48 1pla s ILE 39 N -1.80 0.71 0.01 -5.21 1.01 -1.26 -3.92 121.20 110.73 1pla s ILE 39 Ca -0.10 -0.41 0.04 0.00 0.00 0.00 0.00 60.65 60.17 1pla s ILE 39 Cb -0.04 -1.00 -0.01 0.00 0.01 0.00 0.00 42.46 41.42 1pla s ILE 39 CO 0.01 0.04 -0.12 -0.69 0.00 0.00 0.00 174.94 174.18 1pla s VAL 40 N 1.80 0.94 -0.28 2.92 1.01 -0.95 0.74 120.40 126.58 1pla s VAL 40 Ca 0.01 -0.65 -0.11 0.00 0.00 0.00 0.00 61.98 61.23 1pla s VAL 40 Cb -0.15 -0.81 -0.05 0.00 0.00 0.00 0.00 36.38 35.37 1pla s VAL 40 CO -0.07 0.16 0.19 -0.36 0.00 0.00 0.00 175.10 175.02 1pla s PHE 41 N -0.47 3.22 -0.18 5.22 0.40 -1.26 -2.16 117.98 122.75 1pla s PHE 41 Ca 0.03 0.12 -0.29 0.00 -0.60 0.00 0.00 56.93 56.19 1pla s PHE 41 Cb -0.06 -2.38 -0.04 0.00 0.51 0.00 0.00 43.02 41.06 1pla s PHE 41 CO 0.00 -0.16 1.82 0.34 0.70 0.00 0.00 175.22 177.93 1pla s ASP 42 N 1.74 6.15 0.00 1.36 -1.08 -0.80 -4.81 116.67 119.24 1pla s ASP 42 Ca 0.07 1.85 0.00 0.00 -0.52 0.00 0.00 52.55 53.95 1pla s ASP 42 Cb -0.16 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 38.77 1pla s ASP 42 CO 0.11 -1.41 0.31 -1.84 0.52 0.00 0.00 175.17 172.86 1pla n GLU 43 N 7.93 0.42 0.00 4.34 -0.00 -1.26 -2.17 120.64 129.90 1pla n GLU 43 Ca 0.22 0.00 0.10 0.00 -0.00 0.00 0.00 57.16 57.48 1pla n GLU 43 Cb 0.45 -1.11 0.03 0.00 -0.00 0.00 0.00 31.44 30.81 1pla n GLU 43 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1pla n ASP 44 N -0.10 2.28 -0.23 -1.84 9.92 -1.26 -4.43 116.55 120.89 1pla n ASP 44 Ca 0.00 -1.64 0.00 0.00 -0.53 0.00 0.00 54.79 52.62 1pla n ASP 44 Cb 0.05 0.28 0.00 0.00 -0.64 0.00 0.00 41.12 40.81 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 0.48 0.00 -3.73 -1.24 -0.58 -0.92 -5.09 120.64 109.56 1pla n GLU 45 Ca 0.10 -0.62 -0.34 0.00 -0.42 0.00 0.00 57.16 55.88 1pla n GLU 45 Cb 0.48 -0.42 -0.05 0.00 -0.57 0.00 0.00 31.44 30.87 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 0.00 5.25 0.74 2.62 1.01 -1.23 -4.28 120.40 124.52 1pla s VAL 46 Ca 0.00 0.18 -0.16 0.00 0.00 0.00 0.00 61.98 62.00 1pla s VAL 46 Cb 0.00 -3.59 -0.02 0.00 0.00 0.00 0.00 36.38 32.77 1pla s VAL 46 CO 0.00 0.31 0.66 -2.65 0.00 0.00 0.00 175.10 173.41 1pla n PRO 47 N 0.93 0.30 -0.77 2.72 -0.01 -1.26 -4.80 135.00 132.11 1pla n PRO 47 Ca -0.09 0.15 -0.07 0.00 -0.01 0.00 0.00 63.50 63.47 1pla n PRO 47 Cb 0.52 -1.95 -0.06 0.00 -0.01 0.00 0.00 33.50 32.00 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 -2.54 5.08 0.00 3.55 0.00 -1.26 -3.34 120.51 122.00 1pla n ALA 48 Ca 0.11 -0.98 0.00 0.00 0.00 0.00 0.00 53.44 52.57 1pla n ALA 48 Cb 0.50 -1.56 0.00 0.00 0.00 0.00 0.00 19.45 18.39 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 1.70 0.11 3.33 0.00 0.00 -1.26 -5.01 105.19 104.06 1pla n GLY 49 Ca 0.21 -0.06 -0.46 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.00 5.37 0.77 1.61 1.01 -1.21 -5.04 120.40 121.91 1pla s VAL 50 Ca 0.00 -1.99 -0.17 0.00 0.00 0.00 0.00 61.98 59.83 1pla s VAL 50 Cb 0.00 -4.45 -0.10 0.00 0.00 0.00 0.00 36.38 31.83 1pla s VAL 50 CO 0.00 -1.02 -0.10 0.59 0.00 0.00 0.00 175.10 174.58 1pla n ASN 51 N 4.73 -3.55 0.01 3.32 3.02 -1.26 -4.63 115.26 116.90 1pla n ASN 51 Ca 0.04 0.45 0.11 0.00 -0.03 0.00 0.00 54.58 55.15 1pla n ASN 51 Cb 0.44 -0.97 0.08 0.00 -0.61 0.00 0.00 39.78 38.73 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 3.79 1.04 5.41 0.00 -1.26 -3.90 120.51 123.29 1pla n ALA 52 Ca 0.05 -0.43 0.12 0.00 0.00 0.00 0.00 53.44 53.18 1pla n ALA 52 Cb 0.51 -0.98 0.29 0.00 0.00 0.00 0.00 19.45 19.27 1pla n ALA 52 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1pla n GLU 53 N -1.67 0.12 0.01 0.00 2.13 -1.26 -2.81 120.64 117.17 1pla n GLU 53 Ca 0.04 -0.07 -0.05 0.00 0.66 0.00 0.00 57.16 57.73 1pla n GLU 53 Cb 0.37 -1.50 -0.11 0.00 0.27 0.00 0.00 31.44 30.47 1pla n GLU 53 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 1pla h LYS 54 N 0.17 0.00 -0.01 5.31 1.79 -1.94 -3.36 116.57 118.53 1pla h LYS 54 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1pla h LYS 54 Cb 0.50 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.15 1pla h LYS 54 CO 0.00 0.52 -0.40 0.44 -1.08 0.00 0.00 179.45 178.93 1pla n ILE 55 N -3.06 0.00 -1.48 1.86 -5.35 -1.25 -5.00 119.36 105.08 1pla n ILE 55 Ca -0.11 -0.30 -0.29 0.00 -0.27 0.00 0.00 62.75 61.78 1pla n ILE 55 Cb 0.96 1.16 0.16 0.00 -1.74 0.00 0.00 39.64 40.18 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 -2.00 3.07 -0.65 7.28 0.01 -1.12 -4.88 113.70 115.41 1pla s SER 56 Ca 0.12 0.89 0.05 0.00 1.31 0.00 0.00 55.95 58.32 1pla s SER 56 Cb 0.13 -1.39 0.17 0.00 0.21 0.00 0.00 66.02 65.14 1pla s SER 56 CO 0.45 -2.81 0.47 -1.10 0.41 0.00 0.00 173.24 170.65 1pla s GLN 57 N -5.31 2.17 0.40 12.44 -0.21 0.23 -4.91 119.66 124.46 1pla s GLN 57 Ca 0.66 -3.12 0.27 0.00 0.02 0.00 0.00 55.36 53.19 1pla s GLN 57 Cb -0.14 -3.03 1.44 0.00 1.00 0.00 0.00 33.01 32.28 1pla s GLN 57 CO 0.54 -1.31 1.84 -1.35 -2.12 0.00 0.00 175.29 172.89 1pla h PRO 58 N 5.43 0.00 -4.89 2.91 0.11 -1.95 -3.40 132.00 130.21 1pla h PRO 58 Ca 0.17 0.00 -0.64 0.00 0.11 0.00 0.00 66.00 65.64 1pla h PRO 58 Cb 0.78 0.00 -0.18 0.00 0.11 0.00 0.00 31.00 31.72 1pla h PRO 58 CO 0.65 0.00 -0.53 -1.21 -0.21 0.00 0.00 178.00 176.70 1pla s GLU 59 N -3.66 3.90 1.15 1.05 2.02 -1.26 -5.08 118.70 116.82 1pla s GLU 59 Ca -0.02 -0.35 -0.17 0.00 0.02 0.00 0.00 54.97 54.45 1pla s GLU 59 Cb 0.08 -3.64 0.26 0.00 0.10 0.00 0.00 34.13 30.93 1pla s GLU 59 CO 0.28 -0.20 1.09 0.71 0.02 0.00 0.00 175.26 177.16 1pla s TYR 60 N 1.75 0.98 -0.09 1.61 1.51 -1.26 -4.91 117.35 116.93 1pla s TYR 60 Ca 0.07 0.68 -0.04 0.00 -1.01 0.00 0.00 57.07 56.77 1pla s TYR 60 Cb -0.16 -3.35 0.05 0.00 -0.11 0.00 0.00 41.96 38.39 1pla s TYR 60 CO 0.10 -3.64 0.18 -0.48 -1.11 0.00 0.00 175.55 170.61 1pla s LEU 61 N -6.85 0.11 -0.00 -1.29 0.05 -1.18 -5.02 118.68 104.50 1pla s LEU 61 Ca 0.69 0.39 0.04 0.00 0.05 0.00 0.00 54.13 55.30 1pla s LEU 61 Cb -0.13 0.42 -0.05 0.00 -2.05 0.00 0.00 46.19 44.37 1pla s LEU 61 CO 0.57 -0.21 0.14 -0.46 -0.55 0.00 0.00 176.35 175.83 1pla n ASN 62 N 4.96 1.97 -4.63 1.48 6.94 -1.26 -2.24 115.26 122.48 1pla n ASN 62 Ca -0.12 -0.32 -0.45 0.00 -0.02 0.00 0.00 54.58 53.67 1pla n ASN 62 Cb 0.51 1.09 -0.02 0.00 -2.36 0.00 0.00 39.78 38.99 1pla n ASN 62 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1pla n GLY 63 N 1.64 0.24 3.58 4.83 0.00 -1.26 -4.77 105.19 109.45 1pla n GLY 63 Ca 0.00 0.41 -0.42 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.63 2.78 0.00 4.61 0.00 -1.26 -2.12 121.76 125.15 1pla s ALA 64 Ca 0.63 -0.39 0.00 0.00 0.00 0.00 0.00 51.96 52.21 1pla s ALA 64 Cb -0.69 -4.08 0.00 0.00 0.00 0.00 0.00 23.12 18.35 1pla s ALA 64 CO 0.56 -2.89 0.00 0.41 0.00 0.00 0.00 175.76 173.84 1pla n GLY 65 N 5.31 0.94 3.73 0.00 0.00 -1.22 -5.07 105.19 108.88 1pla n GLY 65 Ca 0.16 -0.03 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.71 1.96 0.09 1.61 0.41 -0.90 -4.71 118.70 116.45 1pla s GLU 66 Ca 0.00 1.40 -0.09 0.00 -0.41 0.00 0.00 54.97 55.87 1pla s GLU 66 Cb 0.00 -1.85 0.00 0.00 -1.78 0.00 0.00 34.13 30.50 1pla s GLU 66 CO 0.00 -1.90 0.21 0.95 -0.49 0.00 0.00 175.26 174.03 1pla s THR 67 N -2.61 0.14 0.35 3.63 -4.23 -1.26 -2.24 115.64 109.42 1pla s THR 67 Ca 0.66 -1.13 0.05 0.00 -1.18 0.00 0.00 61.69 60.08 1pla s THR 67 Cb -0.21 -1.33 -0.03 0.00 1.34 0.00 0.00 72.50 72.28 1pla s THR 67 CO 0.53 -0.63 0.21 -0.47 -0.54 0.00 0.00 174.62 173.72 1pla s TYR 68 N -3.86 1.73 0.02 3.99 5.04 -0.52 -4.97 117.35 118.78 1pla s TYR 68 Ca 0.05 -1.49 -0.01 0.00 -2.44 0.00 0.00 57.07 53.18 1pla s TYR 68 Cb 0.05 -0.89 -0.02 0.00 0.35 0.00 0.00 41.96 41.45 1pla s TYR 68 CO -0.11 -0.61 -0.01 -1.21 -1.34 0.00 0.00 175.55 172.27 1pla s GLU 69 N -3.61 0.33 -0.15 4.97 2.02 -1.26 -2.02 118.70 118.97 1pla s GLU 69 Ca 0.34 -0.57 -0.09 0.00 0.02 0.00 0.00 54.97 54.66 1pla s GLU 69 Cb 0.03 0.12 0.05 0.00 0.10 0.00 0.00 34.13 34.43 1pla s GLU 69 CO 0.21 -0.06 0.36 0.08 0.02 0.00 0.00 175.26 175.88 1pla s VAL 70 N -1.41 -0.02 -0.26 2.63 1.01 -0.35 -4.97 120.40 117.01 1pla s VAL 70 Ca -0.15 0.08 0.00 0.00 0.00 0.00 0.00 61.98 61.91 1pla s VAL 70 Cb -0.09 -0.53 0.07 0.00 0.00 0.00 0.00 36.38 35.83 1pla s VAL 70 CO -0.01 0.03 0.01 -0.89 0.00 0.00 0.00 175.10 174.24 1pla s THR 71 N 1.05 1.38 0.39 3.92 2.01 -1.26 -0.71 115.64 122.42 1pla s THR 71 Ca -0.07 -1.36 -0.02 0.00 0.31 0.00 0.00 61.69 60.56 1pla s THR 71 Cb -0.07 -1.82 -0.04 0.00 0.01 0.00 0.00 72.50 70.59 1pla s THR 71 CO -0.08 -0.32 0.63 -0.76 -0.69 0.00 0.00 174.62 173.40 1pla s LEU 72 N 1.42 3.88 -0.34 4.42 1.43 -1.26 -5.03 118.68 123.20 1pla s LEU 72 Ca 0.01 0.63 0.15 0.00 -1.03 0.00 0.00 54.13 53.89 1pla s LEU 72 Cb -0.18 -3.52 0.44 0.00 0.03 0.00 0.00 46.19 42.95 1pla s LEU 72 CO -0.11 -0.39 1.23 0.35 0.23 0.00 0.00 176.35 177.66 1pla n THR 73 N -1.91 0.51 -3.47 5.49 -2.24 -1.26 -3.54 114.28 107.86 1pla n THR 73 Ca -0.03 -2.11 -0.22 0.00 -2.27 0.00 0.00 64.05 59.42 1pla n THR 73 Cb 0.56 0.95 -0.12 0.00 -2.10 0.00 0.00 70.33 69.62 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 -1.49 0.24 -0.53 -0.78 0.41 -1.26 -4.99 118.70 110.30 1pla s GLU 74 Ca 0.22 -0.25 -0.39 0.00 -0.41 0.00 0.00 54.97 54.14 1pla s GLU 74 Cb 0.41 -0.97 -0.17 0.00 -1.78 0.00 0.00 34.13 31.63 1pla s GLU 74 CO -0.05 -0.97 2.25 1.17 -0.49 0.00 0.00 175.26 177.18 1pla n LYS 75 N 5.29 0.35 0.00 1.61 4.81 -1.24 -4.59 118.16 124.38 1pla n LYS 75 Ca -0.04 0.08 0.00 0.00 -0.87 0.00 0.00 58.31 57.48 1pla n LYS 75 Cb 0.45 -1.85 0.00 0.00 0.02 0.00 0.00 35.03 33.65 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 7.01 -0.88 3.01 3.14 0.00 -0.69 -4.95 105.19 111.84 1pla n GLY 76 Ca 0.52 -0.15 -0.13 0.00 0.00 0.00 0.00 46.02 46.26 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 -0.03 0.24 2.61 -4.23 -1.26 -1.58 115.64 107.39 1pla s THR 77 Ca 0.00 0.11 0.12 0.00 -1.18 0.00 0.00 61.69 60.74 1pla s THR 77 Cb 0.00 -0.29 -0.05 0.00 1.34 0.00 0.00 72.50 73.50 1pla s THR 77 CO 0.00 0.05 -0.21 -0.31 -0.54 0.00 0.00 174.62 173.61 1pla s TYR 78 N 0.86 2.32 -0.12 3.99 1.51 -1.00 -4.35 117.35 120.57 1pla s TYR 78 Ca -0.06 -0.34 0.01 0.00 -1.01 0.00 0.00 57.07 55.67 1pla s TYR 78 Cb -0.08 -1.07 0.02 0.00 -0.11 0.00 0.00 41.96 40.72 1pla s TYR 78 CO -0.05 0.62 -0.15 0.15 -1.11 0.00 0.00 175.55 175.00 1pla s LYS 79 N -3.14 2.30 0.16 -0.62 -0.14 -1.26 -2.63 119.74 114.41 1pla s LYS 79 Ca 0.26 -0.58 0.02 0.00 -1.36 0.00 0.00 55.97 54.30 1pla s LYS 79 Cb -0.06 -1.99 -0.05 0.00 -1.68 0.00 0.00 37.83 34.05 1pla s LYS 79 CO 0.13 -0.11 -0.00 -0.59 -0.76 0.00 0.00 175.35 174.02 1pla s PHE 80 N 1.12 1.15 0.16 3.18 -0.71 0.49 -1.91 117.98 121.46 1pla s PHE 80 Ca -0.03 -1.02 -0.23 0.00 -1.04 0.00 0.00 56.93 54.61 1pla s PHE 80 Cb -0.14 -0.66 0.08 0.00 -1.21 0.00 0.00 43.02 41.09 1pla s PHE 80 CO -0.04 -0.22 1.07 1.52 -1.34 0.00 0.00 175.22 176.21 1pla s TYR 81 N -3.67 0.08 -0.31 3.49 1.13 -0.92 0.21 117.35 117.35 1pla s TYR 81 Ca 0.22 -0.44 -0.11 0.00 -1.41 0.00 0.00 57.07 55.33 1pla s TYR 81 Cb 0.06 0.69 -0.02 0.00 -1.10 0.00 0.00 41.96 41.58 1pla s TYR 81 CO 0.03 -0.84 0.18 0.00 -2.51 0.00 0.00 175.55 172.41 1pla h GLU 83 N 8.39 0.52 0.12 0.00 4.81 -1.90 -1.94 114.58 124.59 1pla h GLU 83 Ca -0.33 -0.36 -0.01 0.00 -0.13 0.00 0.00 59.36 58.53 1pla h GLU 83 Cb 1.16 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.60 1pla h GLU 83 CO 0.60 0.98 -0.06 -1.00 -0.73 0.00 0.00 179.01 178.80 1pla h PRO 84 N 0.39 -0.16 -0.42 0.92 0.14 -1.93 -3.04 132.00 127.89 1pla h PRO 84 Ca -0.01 0.01 0.00 0.00 0.14 0.00 0.00 66.00 66.14 1pla h PRO 84 Cb 1.17 0.04 0.00 0.00 0.14 0.00 0.00 31.00 32.35 1pla h PRO 84 CO 0.11 0.28 0.00 0.72 0.14 0.00 0.00 178.00 179.25 1pla n HIS 85 N -4.94 0.15 0.00 1.56 8.25 -1.25 -4.07 115.22 114.92 1pla n HIS 85 Ca -0.08 -0.06 0.00 0.00 -0.26 0.00 0.00 57.72 57.31 1pla n HIS 85 Cb 0.26 -0.06 0.00 0.00 1.12 0.00 0.00 29.99 31.31 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 -0.14 0.91 0.09 -1.41 0.00 -0.73 -0.05 120.51 119.18 1pla n ALA 86 Ca 0.03 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.44 1pla n ALA 86 Cb 0.18 -0.76 -0.05 0.00 0.00 0.00 0.00 19.45 18.81 1pla n ALA 86 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1pla h GLY 87 N 0.00 0.00 1.38 0.00 0.00 -1.85 -3.29 103.07 99.32 1pla h GLY 87 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.06 1pla h GLY 87 CO 0.00 0.00 -1.43 0.00 0.00 0.00 0.00 176.54 175.11 1pla h ALA 88 N 1.24 0.44 0.00 3.60 0.00 -0.82 -3.48 119.26 120.24 1pla h ALA 88 Ca -0.02 -1.15 0.00 0.00 0.00 0.00 0.00 54.91 53.74 1pla h ALA 88 Cb 1.60 0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.60 1pla h ALA 88 CO 0.10 1.30 0.00 0.41 0.00 0.00 0.00 179.25 181.05 1pla n GLY 89 N 1.55 1.83 3.59 0.00 0.00 -1.19 -5.06 105.19 105.91 1pla n GLY 89 Ca -0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.08 3.06 0.21 1.61 1.00 -1.25 -4.93 119.30 118.91 1pla s MET 90 Ca 0.00 1.50 0.09 0.00 0.00 0.00 0.00 55.69 57.28 1pla s MET 90 Cb 0.00 -4.31 -0.05 0.00 0.00 0.00 0.00 34.83 30.47 1pla s MET 90 CO 0.00 -2.19 -0.16 -1.59 0.00 0.00 0.00 175.02 171.08 1pla s LYS 91 N 6.30 1.39 -0.03 2.03 -2.85 -1.26 -2.36 119.74 122.96 1pla s LYS 91 Ca 0.86 -1.59 -0.07 0.00 -1.00 0.00 0.00 55.97 54.18 1pla s LYS 91 Cb -0.24 -1.29 0.01 0.00 -2.06 0.00 0.00 37.83 34.25 1pla s LYS 91 CO 0.32 0.23 0.16 0.20 0.10 0.00 0.00 175.35 176.35 1pla s GLY 92 N -3.22 -0.04 -0.09 0.59 0.00 0.55 -4.33 107.32 100.79 1pla s GLY 92 Ca 0.23 0.15 -0.15 0.00 0.00 0.00 0.00 44.72 44.94 1pla s GLY 92 CO 0.08 0.04 0.37 1.85 0.00 0.00 0.00 173.10 175.44 1pla s GLU 93 N -0.74 0.58 -0.05 2.90 2.12 -1.05 -0.38 118.70 122.08 1pla s GLU 93 Ca -0.08 0.22 -0.01 0.00 0.36 0.00 0.00 54.97 55.46 1pla s GLU 93 Cb -0.05 0.27 0.03 0.00 0.26 0.00 0.00 34.13 34.64 1pla s GLU 93 CO 0.01 -0.12 0.01 0.54 -0.54 0.00 0.00 175.26 175.15 1pla s VAL 94 N -0.51 0.24 -0.55 3.70 0.11 -1.08 -2.47 120.40 119.84 1pla s VAL 94 Ca -0.06 0.14 -0.15 0.00 -2.93 0.00 0.00 61.98 58.97 1pla s VAL 94 Cb -0.04 -0.37 0.13 0.00 -1.53 0.00 0.00 36.38 34.57 1pla s VAL 94 CO 0.03 0.20 0.50 -0.89 -3.33 0.00 0.00 175.10 171.61 1pla s THR 95 N 1.55 5.14 0.36 5.04 2.01 -0.91 -2.37 115.64 126.46 1pla s THR 95 Ca -0.02 -1.57 -0.24 0.00 0.31 0.00 0.00 61.69 60.16 1pla s THR 95 Cb -0.13 -4.30 -0.10 0.00 0.01 0.00 0.00 72.50 67.98 1pla s THR 95 CO -0.03 -0.87 0.95 -0.69 -0.69 0.00 0.00 174.62 173.29 1pla s VAL 96 N 1.51 4.25 -2.56 3.82 1.01 -0.61 -1.26 120.40 126.55 1pla s VAL 96 Ca 0.04 1.70 0.20 0.00 0.00 0.00 0.00 61.98 63.92 1pla s VAL 96 Cb -0.29 -3.87 0.16 0.00 0.00 0.00 0.00 36.38 32.39 1pla s VAL 96 CO 0.02 -0.01 1.15 0.59 0.00 0.00 0.00 175.10 176.85