#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gtw s ILE 1 N 0.00 2.06 -0.01 1.12 1.01 -1.26 -5.02 121.20 119.10 2gtw s ILE 1 Ca 0.00 0.04 0.03 0.00 0.00 0.00 0.00 60.65 60.72 2gtw s ILE 1 Cb 0.00 -3.03 -0.01 0.00 0.01 0.00 0.00 42.46 39.43 2gtw s ILE 1 CO 0.00 0.00 -0.10 -1.10 0.00 0.00 0.00 174.94 173.75 2gtw s GLN 2 N 0.53 0.80 -0.02 2.79 -0.21 -1.26 -4.50 119.66 117.80 2gtw s GLN 2 Ca 0.70 -0.35 0.02 0.00 0.02 0.00 0.00 55.36 55.75 2gtw s GLN 2 Cb -0.49 -0.78 0.00 0.00 1.00 0.00 0.00 33.01 32.75 2gtw s GLN 2 CO 0.38 0.21 -0.08 1.03 -2.12 0.00 0.00 175.29 174.71 2gtw s ARG 3 N -0.23 0.87 0.18 2.91 0.52 0.32 -4.91 118.95 118.60 2gtw s ARG 3 Ca 0.04 -0.28 -0.30 0.00 -0.52 0.00 0.00 55.73 54.67 2gtw s ARG 3 Cb -0.04 -0.82 -0.07 0.00 0.52 0.00 0.00 34.95 34.53 2gtw s ARG 3 CO -0.00 0.11 0.95 0.99 0.02 0.00 0.00 175.30 177.37 2gtw s THR 4 N 0.16 4.27 0.34 0.02 2.01 -1.26 -1.58 115.64 119.60 2gtw s THR 4 Ca -0.02 2.07 -0.29 0.00 0.31 0.00 0.00 61.69 63.76 2gtw s THR 4 Cb -0.08 -4.32 -0.11 0.00 0.01 0.00 0.00 72.50 68.01 2gtw s THR 4 CO 0.00 0.41 1.39 -2.16 -0.69 0.00 0.00 174.62 173.57 2gtw s PRO 5 N -0.60 4.25 -0.30 4.92 0.04 -1.26 -4.31 135.00 137.73 2gtw s PRO 5 Ca 0.44 2.37 -0.12 0.00 0.04 0.00 0.00 61.00 63.73 2gtw s PRO 5 Cb -0.25 -3.04 -0.04 0.00 0.04 0.00 0.00 34.50 31.22 2gtw s PRO 5 CO 0.31 -0.35 0.21 0.15 0.04 0.00 0.00 177.00 177.36 2gtw s LYS 6 N -1.73 3.80 -0.18 4.56 3.01 0.13 -4.91 119.74 124.43 2gtw s LYS 6 Ca 0.52 -0.42 -0.05 0.00 -1.01 0.00 0.00 55.97 55.01 2gtw s LYS 6 Cb -0.43 -3.71 -0.03 0.00 -1.01 0.00 0.00 37.83 32.66 2gtw s LYS 6 CO 0.56 -0.27 -0.01 0.42 0.51 0.00 0.00 175.35 176.56 2gtw s ILE 7 N 1.75 4.03 -0.04 2.17 1.01 -1.26 -1.72 121.20 127.15 2gtw s ILE 7 Ca 0.07 -0.30 0.04 0.00 0.00 0.00 0.00 60.65 60.46 2gtw s ILE 7 Cb -0.16 -2.79 -0.00 0.00 0.01 0.00 0.00 42.46 39.51 2gtw s ILE 7 CO 0.11 0.46 -0.16 -1.10 0.00 0.00 0.00 174.94 174.25 2gtw s GLN 8 N 0.61 1.61 -0.13 2.79 -0.21 -0.11 -5.00 119.66 119.23 2gtw s GLN 8 Ca -0.01 -0.57 0.02 0.00 0.02 0.00 0.00 55.36 54.82 2gtw s GLN 8 Cb -0.14 -1.43 0.01 0.00 1.00 0.00 0.00 33.01 32.45 2gtw s GLN 8 CO 0.02 0.24 -0.19 0.08 -2.12 0.00 0.00 175.29 173.33 2gtw s VAL 9 N 0.00 1.79 0.12 1.09 1.01 -1.26 -0.94 120.40 122.21 2gtw s VAL 9 Ca -0.02 -0.81 -0.25 0.00 0.00 0.00 0.00 61.98 60.89 2gtw s VAL 9 Cb -0.10 -1.60 0.07 0.00 0.00 0.00 0.00 36.38 34.75 2gtw s VAL 9 CO 0.02 0.50 0.80 -0.72 0.00 0.00 0.00 175.10 175.69 2gtw s TYR 10 N 0.93 -0.32 0.16 5.22 1.13 -0.61 -4.60 117.35 119.27 2gtw s TYR 10 Ca -0.06 0.07 0.00 0.00 -1.41 0.00 0.00 57.07 55.67 2gtw s TYR 10 Cb -0.15 0.60 -0.04 0.00 -1.10 0.00 0.00 41.96 41.27 2gtw s TYR 10 CO -0.02 -0.81 0.33 -1.54 -2.51 0.00 0.00 175.55 171.00 2gtw s SER 11 N -2.74 6.37 0.15 -0.18 1.04 -1.26 -0.34 113.70 116.75 2gtw s SER 11 Ca 0.07 0.31 -0.14 0.00 0.48 0.00 0.00 55.95 56.66 2gtw s SER 11 Cb -0.02 -1.97 0.04 0.00 0.10 0.00 0.00 66.02 64.17 2gtw s SER 11 CO -0.05 0.02 1.73 -0.09 0.98 0.00 0.00 173.24 175.83 2gtw h ARG 12 N 2.21 0.72 -6.36 4.02 2.43 -1.44 -3.45 114.38 112.51 2gtw h ARG 12 Ca -0.48 -0.11 -0.61 0.00 -0.81 0.00 0.00 59.98 57.97 2gtw h ARG 12 Cb 1.19 -0.13 -0.14 0.00 -0.42 0.00 0.00 29.97 30.47 2gtw h ARG 12 CO 0.69 0.61 -0.74 -1.01 -1.51 0.00 0.00 179.97 178.01 2gtw s HIS 13 N -5.68 2.46 0.14 2.20 3.76 -1.26 -5.04 115.29 111.87 2gtw s HIS 13 Ca -0.13 -0.29 -0.35 0.00 -0.15 0.00 0.00 55.06 54.15 2gtw s HIS 13 Cb 0.11 -1.14 -0.15 0.00 1.11 0.00 0.00 32.58 32.52 2gtw s HIS 13 CO 0.76 0.60 1.49 -2.30 -0.85 0.00 0.00 174.74 174.44 2gtw n PRO 14 N -0.31 1.82 -2.51 8.40 -0.02 -1.26 -4.88 135.00 136.23 2gtw n PRO 14 Ca -0.08 0.66 -0.41 0.00 -2.02 0.00 0.00 63.50 61.64 2gtw n PRO 14 Cb 0.58 -2.38 -0.04 0.00 -0.02 0.00 0.00 33.50 31.64 2gtw n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2gtw s ALA 15 N 0.71 3.37 -0.05 3.55 0.00 -1.26 -5.04 121.76 123.05 2gtw s ALA 15 Ca 0.80 0.82 -0.00 0.00 0.00 0.00 0.00 51.96 53.57 2gtw s ALA 15 Cb -0.76 -3.35 0.03 0.00 0.00 0.00 0.00 23.12 19.03 2gtw s ALA 15 CO 0.41 -0.20 0.00 -2.00 0.00 0.00 0.00 175.76 173.98 2gtw s GLU 16 N -0.46 0.42 0.09 0.00 2.12 -1.26 -5.11 118.70 114.51 2gtw s GLU 16 Ca 0.49 0.10 -0.33 0.00 0.36 0.00 0.00 54.97 55.59 2gtw s GLU 16 Cb -0.30 -0.69 -0.12 0.00 0.26 0.00 0.00 34.13 33.28 2gtw s GLU 16 CO 0.35 -0.21 1.74 0.09 -0.54 0.00 0.00 175.26 176.70 2gtw n ASN 17 N 4.61 3.53 0.00 -1.70 3.02 -1.26 -2.00 115.26 121.46 2gtw n ASN 17 Ca -0.17 1.03 0.00 0.00 -0.03 0.00 0.00 54.58 55.41 2gtw n ASN 17 Cb 0.50 -1.46 0.00 0.00 -0.61 0.00 0.00 39.78 38.21 2gtw n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2gtw n GLY 18 N 3.94 0.71 3.46 7.41 0.00 -0.31 -5.00 105.19 115.39 2gtw n GLY 18 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 2gtw n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2gtw s LYS 19 N -0.73 3.63 0.60 1.61 2.20 -0.85 -4.99 119.74 121.21 2gtw s LYS 19 Ca 0.00 -0.52 -0.20 0.00 -0.36 0.00 0.00 55.97 54.90 2gtw s LYS 19 Cb 0.00 -3.07 -0.03 0.00 -1.51 0.00 0.00 37.83 33.22 2gtw s LYS 19 CO 0.00 0.04 1.33 0.45 -0.36 0.00 0.00 175.35 176.81 2gtw n SER 20 N 4.16 2.37 -2.00 1.43 2.88 -1.26 -4.28 113.62 116.92 2gtw n SER 20 Ca -0.17 0.90 -0.04 0.00 -1.33 0.00 0.00 58.87 58.23 2gtw n SER 20 Cb 0.52 -1.57 0.01 0.00 -0.75 0.00 0.00 64.21 62.42 2gtw n SER 20 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2gtw n ASN 21 N -1.49 -1.14 -4.18 -3.46 2.85 0.31 -4.99 115.26 103.16 2gtw n ASN 21 Ca 0.13 -1.76 -0.25 0.00 -0.11 0.00 0.00 54.58 52.60 2gtw n ASN 21 Cb 0.46 1.90 -0.15 0.00 1.24 0.00 0.00 39.78 43.23 2gtw n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 2gtw s PHE 22 N -5.08 1.61 -0.21 1.20 0.40 -1.26 -1.23 117.98 113.42 2gtw s PHE 22 Ca 0.09 -0.31 -0.08 0.00 -0.60 0.00 0.00 56.93 56.03 2gtw s PHE 22 Cb -0.02 -1.03 -0.04 0.00 0.51 0.00 0.00 43.02 42.43 2gtw s PHE 22 CO 0.05 -0.02 0.08 -1.17 0.70 0.00 0.00 175.22 174.87 2gtw s LEU 23 N -0.46 3.82 -0.05 -0.37 2.96 0.17 -0.98 118.68 123.77 2gtw s LEU 23 Ca 0.07 0.04 0.04 0.00 -0.22 0.00 0.00 54.13 54.06 2gtw s LEU 23 Cb -0.07 -1.99 -0.03 0.00 0.50 0.00 0.00 46.19 44.61 2gtw s LEU 23 CO -0.01 0.12 -0.15 0.20 -1.32 0.00 0.00 176.35 175.19 2gtw s ASN 24 N 0.72 3.99 -0.21 3.68 0.01 0.54 -1.65 114.94 122.02 2gtw s ASN 24 Ca 0.04 -0.21 0.01 0.00 -0.71 0.00 0.00 52.86 52.00 2gtw s ASN 24 Cb -0.13 -0.83 0.04 0.00 0.41 0.00 0.00 41.25 40.74 2gtw s ASN 24 CO 0.02 0.34 -0.11 0.00 -1.51 0.00 0.00 177.10 175.84 2gtw s TYR 26 N 1.32 3.13 -0.10 0.00 5.04 -0.11 -0.68 117.35 125.95 2gtw s TYR 26 Ca -0.02 -0.19 0.03 0.00 -2.44 0.00 0.00 57.07 54.45 2gtw s TYR 26 Cb -0.17 -2.10 -0.01 0.00 0.35 0.00 0.00 41.96 40.04 2gtw s TYR 26 CO -0.08 -0.06 -0.20 0.14 -1.34 0.00 0.00 175.55 174.00 2gtw s VAL 27 N 0.77 2.43 0.15 3.14 -7.23 -0.44 -0.94 120.40 118.28 2gtw s VAL 27 Ca 0.02 -0.90 -0.06 0.00 -1.81 0.00 0.00 61.98 59.23 2gtw s VAL 27 Cb -0.14 -1.95 -0.02 0.00 0.56 0.00 0.00 36.38 34.83 2gtw s VAL 27 CO 0.02 0.55 0.19 -0.94 -0.31 0.00 0.00 175.10 174.61 2gtw s SER 28 N 0.21 0.15 -0.50 4.85 1.04 -0.70 -1.22 113.70 117.54 2gtw s SER 28 Ca -0.13 -0.99 0.00 0.00 0.48 0.00 0.00 55.95 55.31 2gtw s SER 28 Cb -0.16 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.33 2gtw s SER 28 CO 0.07 -0.82 0.00 0.61 0.98 0.00 0.00 173.24 174.08 2gtw n GLY 29 N -0.16 0.74 3.85 7.32 0.00 -0.20 -0.69 105.19 116.05 2gtw n GLY 29 Ca -0.07 -0.72 -0.25 0.00 0.00 0.00 0.00 46.02 44.98 2gtw n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2gtw s PHE 30 N -2.14 3.24 -0.24 1.61 -0.71 -1.16 -4.22 117.98 114.36 2gtw s PHE 30 Ca 0.00 0.00 -0.19 0.00 -1.04 0.00 0.00 56.93 55.70 2gtw s PHE 30 Cb 0.00 -1.54 0.06 0.00 -1.21 0.00 0.00 43.02 40.34 2gtw s PHE 30 CO 0.00 0.51 0.62 -1.58 -1.34 0.00 0.00 175.22 173.44 2gtw s HIS 31 N -1.81 -0.76 0.57 3.49 2.46 -0.62 -0.96 115.29 117.66 2gtw s HIS 31 Ca 0.32 1.75 -0.10 0.00 0.47 0.00 0.00 55.06 57.50 2gtw s HIS 31 Cb -0.10 0.33 0.14 0.00 -0.13 0.00 0.00 32.58 32.81 2gtw s HIS 31 CO 0.25 -0.38 0.67 -0.35 -2.47 0.00 0.00 174.74 172.46 2gtw n PRO 32 N 3.22 -1.23 0.18 2.88 -0.04 -1.26 -0.52 135.00 138.23 2gtw n PRO 32 Ca -0.16 -1.04 0.12 0.00 -0.04 0.00 0.00 63.50 62.38 2gtw n PRO 32 Cb 0.56 -0.79 0.20 0.00 -0.04 0.00 0.00 33.50 33.44 2gtw n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2gtw h SER 33 N -1.30 0.00 -2.70 3.54 4.64 -2.00 -3.45 113.55 112.28 2gtw h SER 33 Ca -0.23 -0.01 -0.55 0.00 -0.47 0.00 0.00 61.79 60.54 2gtw h SER 33 Cb 0.65 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.73 2gtw h SER 33 CO 0.16 0.00 1.01 -1.81 -0.87 0.00 0.00 176.83 175.32 2gtw s ASP 34 N -5.73 6.72 -0.12 4.97 -0.00 -1.26 -4.97 116.67 116.28 2gtw s ASP 34 Ca 0.07 2.20 -0.18 0.00 -0.00 0.00 0.00 52.55 54.64 2gtw s ASP 34 Cb 0.07 -2.54 0.04 0.00 -0.00 0.00 0.00 42.92 40.49 2gtw s ASP 34 CO 0.67 -0.87 0.46 -0.51 -0.00 0.00 0.00 175.17 174.92 2gtw s ILE 35 N 3.49 0.01 -0.16 0.77 2.07 -1.26 -4.64 121.20 121.49 2gtw s ILE 35 Ca 0.70 -0.11 -0.02 0.00 -1.41 0.00 0.00 60.65 59.81 2gtw s ILE 35 Cb -0.33 -0.69 -0.02 0.00 0.13 0.00 0.00 42.46 41.55 2gtw s ILE 35 CO 0.28 -0.06 -0.09 -1.61 -1.91 0.00 0.00 174.94 171.55 2gtw s GLU 36 N -0.31 3.44 -0.07 3.50 2.02 -0.38 -4.99 118.70 121.91 2gtw s GLU 36 Ca -0.05 -0.63 -0.00 0.00 0.02 0.00 0.00 54.97 54.31 2gtw s GLU 36 Cb -0.03 -2.80 0.02 0.00 0.10 0.00 0.00 34.13 31.43 2gtw s GLU 36 CO 0.03 0.10 -0.04 0.08 0.02 0.00 0.00 175.26 175.45 2gtw s VAL 37 N 0.68 0.61 0.01 2.63 1.01 -1.26 -1.14 120.40 122.94 2gtw s VAL 37 Ca -0.05 -0.09 0.06 0.00 0.00 0.00 0.00 61.98 61.90 2gtw s VAL 37 Cb -0.15 -0.68 -0.02 0.00 0.00 0.00 0.00 36.38 35.53 2gtw s VAL 37 CO 0.02 0.28 -0.17 -1.81 0.00 0.00 0.00 175.10 173.42 2gtw s ASP 38 N 1.46 2.01 -0.03 3.32 1.11 -0.06 -4.98 116.67 119.50 2gtw s ASP 38 Ca -0.02 -0.38 -0.14 0.00 0.18 0.00 0.00 52.55 52.18 2gtw s ASP 38 Cb -0.13 -0.19 -0.05 0.00 1.07 0.00 0.00 42.92 43.61 2gtw s ASP 38 CO -0.03 0.16 0.38 -0.76 1.18 0.00 0.00 175.17 176.10 2gtw s LEU 39 N -0.72 4.43 0.04 1.23 1.43 -1.26 -0.68 118.68 123.14 2gtw s LEU 39 Ca 0.06 0.87 0.07 0.00 -1.03 0.00 0.00 54.13 54.10 2gtw s LEU 39 Cb -0.07 -2.53 -0.03 0.00 0.03 0.00 0.00 46.19 43.59 2gtw s LEU 39 CO 0.00 0.29 -0.20 -0.76 0.23 0.00 0.00 176.35 175.91 2gtw s LEU 40 N -0.82 2.50 -0.14 1.79 1.43 0.46 -0.90 118.68 123.00 2gtw s LEU 40 Ca 0.23 -0.46 0.00 0.00 -1.03 0.00 0.00 54.13 52.87 2gtw s LEU 40 Cb -0.16 -1.46 0.02 0.00 0.03 0.00 0.00 46.19 44.62 2gtw s LEU 40 CO 0.12 0.26 -0.12 -0.75 0.23 0.00 0.00 176.35 176.09 2gtw s LYS 41 N -1.35 2.05 -1.64 1.70 2.20 0.44 -1.64 119.74 121.51 2gtw s LYS 41 Ca 0.14 -0.46 -0.17 0.00 -0.36 0.00 0.00 55.97 55.12 2gtw s LYS 41 Cb -0.10 -1.94 0.13 0.00 -1.51 0.00 0.00 37.83 34.41 2gtw s LYS 41 CO 0.04 -0.25 0.87 0.09 -0.36 0.00 0.00 175.35 175.75 2gtw n ASN 42 N 4.82 -3.97 0.00 1.43 3.02 0.10 -1.04 115.26 119.63 2gtw n ASN 42 Ca -0.16 -0.91 0.00 0.00 -0.03 0.00 0.00 54.58 53.48 2gtw n ASN 42 Cb 0.50 -3.21 0.00 0.00 -0.61 0.00 0.00 39.78 36.46 2gtw n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2gtw n GLY 43 N -1.51 0.54 3.70 7.41 0.00 -1.26 -5.04 105.19 109.03 2gtw n GLY 43 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 2gtw n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2gtw s GLU 44 N -0.44 2.84 0.19 1.61 2.02 -0.21 -5.03 118.70 119.69 2gtw s GLU 44 Ca 0.00 -0.59 -0.31 0.00 0.02 0.00 0.00 54.97 54.09 2gtw s GLU 44 Cb 0.00 -2.71 -0.10 0.00 0.10 0.00 0.00 34.13 31.43 2gtw s GLU 44 CO 0.00 0.63 1.50 0.50 0.02 0.00 0.00 175.26 177.91 2gtw s ARG 45 N -1.59 4.24 -0.04 1.61 3.52 -1.26 -0.42 118.95 125.01 2gtw s ARG 45 Ca 0.20 2.32 -0.25 0.00 -0.13 0.00 0.00 55.73 57.87 2gtw s ARG 45 Cb -0.12 -3.14 -0.04 0.00 -1.56 0.00 0.00 34.95 30.09 2gtw s ARG 45 CO 0.11 -0.52 0.75 0.42 -0.81 0.00 0.00 175.30 175.24 2gtw s ILE 46 N 0.69 4.97 0.08 4.11 1.01 -0.08 -4.86 121.20 127.12 2gtw s ILE 46 Ca 0.65 1.56 0.07 0.00 0.00 0.00 0.00 60.65 62.93 2gtw s ILE 46 Cb -0.42 -4.09 -0.22 0.00 0.01 0.00 0.00 42.46 37.73 2gtw s ILE 46 CO 0.36 0.26 1.12 -0.33 0.00 0.00 0.00 174.94 176.35 2gtw h GLU 47 N 6.56 0.03 -2.21 2.79 5.08 -1.94 -3.40 114.58 121.49 2gtw h GLU 47 Ca -0.42 -0.06 -0.42 0.00 -1.00 0.00 0.00 59.36 57.47 2gtw h GLU 47 Cb 1.20 0.02 -0.10 0.00 0.50 0.00 0.00 28.75 30.38 2gtw h GLU 47 CO 0.74 0.92 0.79 1.17 -1.00 0.00 0.00 179.01 181.63 2gtw n LYS 48 N -3.31 2.67 -4.29 2.33 4.81 -1.26 -4.93 118.16 114.18 2gtw n LYS 48 Ca -0.05 -1.89 -0.34 0.00 -0.87 0.00 0.00 58.31 55.16 2gtw n LYS 48 Cb 0.97 -2.23 -0.13 0.00 0.02 0.00 0.00 35.03 33.66 2gtw n LYS 48 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2gtw s VAL 49 N -0.14 3.52 0.30 3.15 1.01 -1.26 -4.66 120.40 122.32 2gtw s VAL 49 Ca 0.63 -0.47 0.06 0.00 0.00 0.00 0.00 61.98 62.21 2gtw s VAL 49 Cb 0.31 -2.55 -0.02 0.00 0.00 0.00 0.00 36.38 34.11 2gtw s VAL 49 CO -0.09 0.47 0.37 -1.61 0.00 0.00 0.00 175.10 174.24 2gtw s GLU 50 N 0.81 3.10 0.09 2.72 2.02 -0.38 -4.92 118.70 122.13 2gtw s GLU 50 Ca -0.02 -1.01 -0.07 0.00 0.02 0.00 0.00 54.97 53.89 2gtw s GLU 50 Cb -0.15 -2.74 -0.01 0.00 0.10 0.00 0.00 34.13 31.33 2gtw s GLU 50 CO 0.02 0.20 0.16 -3.38 0.02 0.00 0.00 175.26 172.27 2gtw s HIS 51 N -2.15 0.26 0.81 1.61 -3.43 -1.26 -1.29 115.29 109.84 2gtw s HIS 51 Ca 0.40 -0.71 -0.12 0.00 -0.80 0.00 0.00 55.06 53.84 2gtw s HIS 51 Cb -0.08 -0.13 0.08 0.00 -1.43 0.00 0.00 32.58 31.01 2gtw s HIS 51 CO 0.29 -0.53 1.12 -1.54 -2.00 0.00 0.00 174.74 172.07 2gtw s SER 52 N -2.89 4.40 0.23 7.38 1.04 -0.18 -5.00 113.70 118.68 2gtw s SER 52 Ca 0.07 1.12 -0.30 0.00 0.48 0.00 0.00 55.95 57.33 2gtw s SER 52 Cb 0.05 -1.80 -0.09 0.00 0.10 0.00 0.00 66.02 64.29 2gtw s SER 52 CO -0.09 -2.00 0.97 -1.81 0.98 0.00 0.00 173.24 171.29 2gtw s ASP 53 N -4.10 7.56 0.14 7.02 -0.00 -1.26 -4.76 116.67 121.27 2gtw s ASP 53 Ca 0.61 1.99 -0.31 0.00 -0.00 0.00 0.00 52.55 54.84 2gtw s ASP 53 Cb -0.13 -2.61 -0.11 0.00 -0.00 0.00 0.00 42.92 40.07 2gtw s ASP 53 CO 0.53 0.08 1.82 -0.11 -0.00 0.00 0.00 175.17 177.49 2gtw n LEU 54 N 1.60 4.04 -4.29 1.23 7.94 -1.26 -4.93 117.00 121.32 2gtw n LEU 54 Ca -0.01 1.00 -0.19 0.00 -1.11 0.00 0.00 56.01 55.69 2gtw n LEU 54 Cb 0.47 -1.55 -0.08 0.00 0.53 0.00 0.00 43.42 42.78 2gtw n LEU 54 CO 0.51 0.18 -0.13 -0.55 -1.11 0.00 0.00 177.39 176.29 2gtw s SER 55 N 2.51 1.60 0.11 1.96 0.15 -1.22 -5.04 113.70 113.78 2gtw s SER 55 Ca 0.81 -1.71 -0.08 0.00 0.70 0.00 0.00 55.95 55.67 2gtw s SER 55 Cb -0.48 0.53 -0.01 0.00 -1.71 0.00 0.00 66.02 64.35 2gtw s SER 55 CO 0.37 -1.03 0.21 0.72 1.20 0.00 0.00 173.24 174.71 2gtw s PHE 56 N -3.51 0.26 0.69 3.44 -0.12 -1.26 -1.50 117.98 115.98 2gtw s PHE 56 Ca 0.39 -0.67 -0.00 0.00 -0.05 0.00 0.00 56.93 56.59 2gtw s PHE 56 Cb 0.03 -0.08 0.14 0.00 -0.63 0.00 0.00 43.02 42.48 2gtw s PHE 56 CO 0.25 -0.59 0.94 0.43 -0.05 0.00 0.00 175.22 176.20 2gtw n SER 57 N -0.11 1.24 0.30 1.98 7.64 0.09 -4.94 113.62 119.84 2gtw n SER 57 Ca -0.12 -2.06 0.17 0.00 1.01 0.00 0.00 58.87 57.87 2gtw n SER 57 Cb 0.63 -0.61 0.98 0.00 -1.01 0.00 0.00 64.21 64.19 2gtw n SER 57 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2gtw h LYS 58 N 0.00 0.00 -0.51 1.43 1.57 -2.03 -0.74 116.57 116.29 2gtw h LYS 58 Ca -0.31 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.47 2gtw h LYS 58 Cb 1.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.45 2gtw h LYS 58 CO 0.33 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 178.81 2gtw n ASP 59 N -3.66 2.73 0.00 0.86 5.75 -1.26 -4.92 116.55 116.04 2gtw n ASP 59 Ca -0.03 -2.09 0.00 0.00 -0.01 0.00 0.00 54.79 52.66 2gtw n ASP 59 Cb 0.10 -0.36 0.00 0.00 -1.03 0.00 0.00 41.12 39.83 2gtw n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 2gtw n TRP 60 N 0.80 0.00 -2.60 2.11 7.02 -0.28 -5.02 117.44 119.45 2gtw n TRP 60 Ca 0.16 0.00 -0.36 0.00 -1.02 0.00 0.00 57.50 56.28 2gtw n TRP 60 Cb 0.46 0.00 -0.05 0.00 -2.42 0.00 0.00 31.31 29.31 2gtw n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 2gtw s SER 61 N -3.83 6.86 0.56 -0.99 1.04 -1.26 -4.65 113.70 111.43 2gtw s SER 61 Ca 0.00 1.97 -0.09 0.00 0.48 0.00 0.00 55.95 58.31 2gtw s SER 61 Cb 0.00 -2.58 -0.04 0.00 0.10 0.00 0.00 66.02 63.50 2gtw s SER 61 CO 0.00 -0.42 0.93 -0.36 0.98 0.00 0.00 173.24 174.37 2gtw s PHE 62 N -1.70 3.59 -0.01 5.02 0.08 -0.14 -0.73 117.98 124.10 2gtw s PHE 62 Ca 0.57 1.13 -0.07 0.00 0.12 0.00 0.00 56.93 58.68 2gtw s PHE 62 Cb -0.20 -2.57 0.00 0.00 -0.57 0.00 0.00 43.02 39.68 2gtw s PHE 62 CO 0.26 -0.50 0.14 1.52 -0.10 0.00 0.00 175.22 176.53 2gtw s TYR 63 N -2.96 0.01 -0.10 0.36 -0.85 -0.56 -1.03 117.35 112.22 2gtw s TYR 63 Ca 0.52 -0.05 -0.11 0.00 -0.52 0.00 0.00 57.07 56.92 2gtw s TYR 63 Cb -0.11 -0.03 0.03 0.00 0.38 0.00 0.00 41.96 42.23 2gtw s TYR 63 CO 0.48 -0.25 0.30 -0.51 -1.52 0.00 0.00 175.55 174.05 2gtw s LEU 64 N -1.14 0.87 -0.16 -3.49 1.43 -0.36 -3.39 118.68 112.44 2gtw s LEU 64 Ca -0.12 0.52 -0.03 0.00 -1.03 0.00 0.00 54.13 53.47 2gtw s LEU 64 Cb -0.07 1.06 -0.02 0.00 0.03 0.00 0.00 46.19 47.19 2gtw s LEU 64 CO 0.01 -0.16 -0.06 -0.22 0.23 0.00 0.00 176.35 176.16 2gtw s LEU 65 N -0.07 3.08 -0.10 1.79 2.96 -1.26 -1.32 118.68 123.76 2gtw s LEU 65 Ca -0.02 -0.21 -0.01 0.00 -0.22 0.00 0.00 54.13 53.66 2gtw s LEU 65 Cb -0.03 -1.74 -0.03 0.00 0.50 0.00 0.00 46.19 44.89 2gtw s LEU 65 CO 0.01 0.14 -0.04 -0.31 -1.32 0.00 0.00 176.35 174.82 2gtw s TYR 66 N 0.54 3.01 0.04 5.38 2.02 0.15 -1.02 117.35 127.47 2gtw s TYR 66 Ca -0.04 -0.03 -0.17 0.00 -0.37 0.00 0.00 57.07 56.46 2gtw s TYR 66 Cb -0.15 -1.80 0.03 0.00 -0.40 0.00 0.00 41.96 39.65 2gtw s TYR 66 CO 0.03 0.26 0.37 1.52 -1.57 0.00 0.00 175.55 176.16 2gtw s TYR 67 N -0.50 -0.22 -0.03 2.71 -0.85 -0.42 -0.14 117.35 117.90 2gtw s TYR 67 Ca 0.08 0.17 -0.24 0.00 -0.52 0.00 0.00 57.07 56.56 2gtw s TYR 67 Cb -0.12 0.17 0.05 0.00 0.38 0.00 0.00 41.96 42.44 2gtw s TYR 67 CO 0.02 -0.53 0.51 -0.08 -1.52 0.00 0.00 175.55 173.95 2gtw s THR 68 N -2.36 0.03 0.33 -3.49 -1.32 -0.66 -1.24 115.64 106.92 2gtw s THR 68 Ca -0.06 -0.22 -0.27 0.00 -1.21 0.00 0.00 61.69 59.93 2gtw s THR 68 Cb -0.01 -0.84 -0.09 0.00 -1.51 0.00 0.00 72.50 70.05 2gtw s THR 68 CO -0.02 -0.12 1.04 -0.70 -2.21 0.00 0.00 174.62 172.61 2gtw s GLU 69 N -1.32 4.47 0.15 7.08 2.12 -1.26 -0.65 118.70 129.28 2gtw s GLU 69 Ca -0.12 1.59 -0.17 0.00 0.36 0.00 0.00 54.97 56.64 2gtw s GLU 69 Cb -0.02 -2.89 0.03 0.00 0.26 0.00 0.00 34.13 31.51 2gtw s GLU 69 CO 0.07 0.12 0.45 -0.59 -0.54 0.00 0.00 175.26 174.76 2gtw s PHE 70 N -1.42 -0.16 -0.25 5.30 -0.71 -0.36 -4.85 117.98 115.52 2gtw s PHE 70 Ca 0.50 -0.16 0.02 0.00 -1.04 0.00 0.00 56.93 56.26 2gtw s PHE 70 Cb -0.26 0.31 0.06 0.00 -1.21 0.00 0.00 43.02 41.92 2gtw s PHE 70 CO 0.32 -0.78 -0.09 0.99 -1.34 0.00 0.00 175.22 174.33 2gtw s THR 71 N -3.83 1.90 0.55 -4.49 2.01 -1.26 -0.53 115.64 109.98 2gtw s THR 71 Ca 0.06 -1.47 -0.20 0.00 0.31 0.00 0.00 61.69 60.39 2gtw s THR 71 Cb 0.01 -2.08 -0.05 0.00 0.01 0.00 0.00 72.50 70.39 2gtw s THR 71 CO -0.08 -0.06 1.20 -2.84 -0.69 0.00 0.00 174.62 172.14 2gtw s PRO 72 N 1.22 3.23 0.36 4.92 0.02 -1.26 -4.78 135.00 138.71 2gtw s PRO 72 Ca -0.08 1.83 0.05 0.00 0.02 0.00 0.00 61.00 62.82 2gtw s PRO 72 Cb -0.20 -2.08 -0.03 0.00 0.02 0.00 0.00 34.50 32.21 2gtw s PRO 72 CO -0.06 -1.00 0.18 0.95 -0.33 0.00 0.00 177.00 176.75 2gtw s THR 73 N -1.58 0.35 0.09 0.99 -4.23 -1.26 -1.17 115.64 108.84 2gtw s THR 73 Ca 0.73 -2.00 -0.18 0.00 -1.18 0.00 0.00 61.69 59.06 2gtw s THR 73 Cb -0.30 -2.43 -0.07 0.00 1.34 0.00 0.00 72.50 71.04 2gtw s THR 73 CO 0.34 0.00 1.57 -0.08 -0.54 0.00 0.00 174.62 175.91 2gtw h GLU 74 N 2.00 0.44 0.00 3.99 4.57 -1.98 -3.34 114.58 120.26 2gtw h GLU 74 Ca -0.32 -0.12 -0.15 0.00 -1.18 0.00 0.00 59.36 57.59 2gtw h GLU 74 Cb 1.26 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.77 2gtw h GLU 74 CO 0.49 0.56 -1.16 1.57 -1.18 0.00 0.00 179.01 179.30 2gtw h LYS 75 N 0.26 0.00 -6.45 1.92 2.10 -2.02 -3.46 116.57 108.91 2gtw h LYS 75 Ca 0.08 0.00 -0.53 0.00 -2.00 0.00 0.00 60.65 58.20 2gtw h LYS 75 Cb 0.34 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.65 2gtw h LYS 75 CO 0.01 0.36 0.36 -0.51 -2.00 0.00 0.00 179.45 177.67 2gtw s ASP 76 N -5.98 7.40 -0.18 7.07 1.01 -1.26 -5.02 116.67 119.71 2gtw s ASP 76 Ca -0.01 1.69 -0.07 0.00 0.71 0.00 0.00 52.55 54.87 2gtw s ASP 76 Cb 0.08 -2.57 -0.04 0.00 1.01 0.00 0.00 42.92 41.40 2gtw s ASP 76 CO 0.79 -0.20 0.06 -1.61 0.21 0.00 0.00 175.17 174.42 2gtw s GLU 77 N 0.71 3.94 0.12 8.23 2.02 -1.26 -4.75 118.70 127.71 2gtw s GLU 77 Ca 0.50 -0.36 0.08 0.00 0.02 0.00 0.00 54.97 55.22 2gtw s GLU 77 Cb -0.22 -3.20 -0.04 0.00 0.10 0.00 0.00 34.13 30.77 2gtw s GLU 77 CO 0.28 0.25 -0.15 0.71 0.02 0.00 0.00 175.26 176.37 2gtw s TYR 78 N 0.43 2.60 0.29 1.61 2.02 -1.26 0.00 117.35 123.04 2gtw s TYR 78 Ca 0.03 -0.23 -0.17 0.00 -0.37 0.00 0.00 57.07 56.33 2gtw s TYR 78 Cb -0.13 -1.37 0.02 0.00 -0.40 0.00 0.00 41.96 40.08 2gtw s TYR 78 CO 0.01 0.40 0.64 0.00 -1.57 0.00 0.00 175.55 175.03 2gtw s ALA 79 N -1.19 -0.73 -0.04 3.71 0.00 -0.65 -1.17 121.76 121.70 2gtw s ALA 79 Ca 0.19 -0.63 0.03 0.00 0.00 0.00 0.00 51.96 51.55 2gtw s ALA 79 Cb -0.11 0.91 0.01 0.00 0.00 0.00 0.00 23.12 23.93 2gtw s ALA 79 CO 0.11 -0.96 -0.11 0.00 0.00 0.00 0.00 175.76 174.81 2gtw s ARG 81 N 0.32 3.36 -0.06 0.00 3.52 0.14 -0.96 118.95 125.26 2gtw s ARG 81 Ca -0.06 -0.65 0.04 0.00 -0.13 0.00 0.00 55.73 54.93 2gtw s ARG 81 Cb -0.11 -2.90 0.00 0.00 -1.56 0.00 0.00 34.95 30.38 2gtw s ARG 81 CO 0.01 -0.11 -0.17 0.08 -0.81 0.00 0.00 175.30 174.31 2gtw s VAL 82 N 1.21 1.46 0.09 7.11 1.01 0.09 -0.88 120.40 130.50 2gtw s VAL 82 Ca 0.02 -0.70 0.08 0.00 0.00 0.00 0.00 61.98 61.39 2gtw s VAL 82 Cb -0.14 -1.28 -0.03 0.00 0.00 0.00 0.00 36.38 34.92 2gtw s VAL 82 CO -0.02 0.42 -0.22 0.21 0.00 0.00 0.00 175.10 175.49 2gtw s ASN 83 N 0.31 2.62 -0.00 3.32 2.47 -0.29 -0.95 114.94 122.42 2gtw s ASN 83 Ca -0.11 -0.65 -0.28 0.00 0.42 0.00 0.00 52.86 52.24 2gtw s ASN 83 Cb -0.14 -0.17 0.10 0.00 -1.45 0.00 0.00 41.25 39.59 2gtw s ASN 83 CO 0.04 0.10 0.87 -2.28 -3.72 0.00 0.00 177.10 172.11 2gtw s HIS 84 N -1.05 -0.37 0.53 0.43 5.65 -1.26 -1.25 115.29 117.98 2gtw s HIS 84 Ca 0.08 0.27 0.21 0.00 0.25 0.00 0.00 55.06 55.86 2gtw s HIS 84 Cb -0.10 0.53 1.37 0.00 -1.18 0.00 0.00 32.58 33.20 2gtw s HIS 84 CO 0.04 -0.56 2.10 -0.24 -0.65 0.00 0.00 174.74 175.43 2gtw h VAL 85 N 2.06 0.85 0.00 0.89 3.04 -1.95 -1.77 116.25 119.37 2gtw h VAL 85 Ca -0.23 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.46 2gtw h VAL 85 Cb 1.24 0.90 0.00 0.00 -2.01 0.00 0.00 31.29 31.42 2gtw h VAL 85 CO 0.32 0.00 0.00 0.35 -1.01 0.00 0.00 177.57 177.23 2gtw n THR 86 N -4.40 0.29 -4.07 3.17 -2.24 -1.26 -4.72 114.28 101.06 2gtw n THR 86 Ca 0.01 0.06 -0.35 0.00 -2.27 0.00 0.00 64.05 61.50 2gtw n THR 86 Cb 0.27 -0.64 -0.11 0.00 -2.10 0.00 0.00 70.33 67.75 2gtw n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2gtw s LEU 87 N -3.08 3.54 0.36 3.22 1.43 -0.67 -5.00 118.68 118.48 2gtw s LEU 87 Ca 0.12 -0.06 0.19 0.00 -1.03 0.00 0.00 54.13 53.35 2gtw s LEU 87 Cb 0.16 -1.90 0.54 0.00 0.03 0.00 0.00 46.19 45.03 2gtw s LEU 87 CO 0.46 0.12 1.66 0.77 0.23 0.00 0.00 176.35 179.59 2gtw h SER 88 N 7.10 0.00 -5.20 2.29 4.64 -1.85 -3.43 113.55 117.10 2gtw h SER 88 Ca -0.35 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.85 2gtw h SER 88 Cb 1.18 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.11 2gtw h SER 88 CO 0.65 0.38 -0.63 0.00 -0.87 0.00 0.00 176.83 176.36 2gtw s GLN 89 N -3.41 0.62 0.25 4.77 0.00 -1.26 -5.13 119.66 115.50 2gtw s GLN 89 Ca 0.01 -1.11 -0.30 0.00 -0.00 0.00 0.00 55.36 53.97 2gtw s GLN 89 Cb 0.10 0.22 -0.14 0.00 0.00 0.00 0.00 33.01 33.19 2gtw s GLN 89 CO 0.69 -0.13 1.08 -2.30 0.00 0.00 0.00 175.29 174.63 2gtw n PRO 90 N 0.22 1.35 -4.16 9.60 -0.02 -1.26 -4.94 135.00 135.79 2gtw n PRO 90 Ca -0.15 0.48 -0.34 0.00 -2.02 0.00 0.00 63.50 61.46 2gtw n PRO 90 Cb 0.61 -1.90 -0.10 0.00 -0.02 0.00 0.00 33.50 32.08 2gtw n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2gtw s LYS 91 N -1.13 3.73 -0.20 -0.52 2.20 -0.13 -4.91 119.74 118.78 2gtw s LYS 91 Ca 0.63 -0.39 -0.04 0.00 -0.36 0.00 0.00 55.97 55.81 2gtw s LYS 91 Cb -0.74 -3.07 -0.02 0.00 -1.51 0.00 0.00 37.83 32.49 2gtw s LYS 91 CO 0.57 0.35 -0.02 0.42 -0.36 0.00 0.00 175.35 176.31 2gtw s ILE 92 N 0.12 3.68 -0.19 5.43 1.01 -1.26 -0.73 121.20 129.26 2gtw s ILE 92 Ca 0.03 -0.40 -0.03 0.00 0.00 0.00 0.00 60.65 60.25 2gtw s ILE 92 Cb -0.13 -2.66 -0.01 0.00 0.01 0.00 0.00 42.46 39.67 2gtw s ILE 92 CO 0.01 0.43 -0.06 -0.69 0.00 0.00 0.00 174.94 174.63 2gtw s VAL 93 N 1.16 3.41 0.22 2.92 1.01 -0.14 -4.95 120.40 124.02 2gtw s VAL 93 Ca 0.02 -0.50 -0.24 0.00 0.00 0.00 0.00 61.98 61.26 2gtw s VAL 93 Cb -0.15 -2.51 -0.09 0.00 0.00 0.00 0.00 36.38 33.64 2gtw s VAL 93 CO 0.00 0.46 0.80 -0.54 0.00 0.00 0.00 175.10 175.82 2gtw s LYS 94 N 0.98 4.47 -0.01 2.72 1.02 -1.26 -0.64 119.74 127.02 2gtw s LYS 94 Ca -0.00 1.11 -0.30 0.00 0.02 0.00 0.00 55.97 56.79 2gtw s LYS 94 Cb -0.15 -3.03 -0.05 0.00 -0.52 0.00 0.00 37.83 34.08 2gtw s LYS 94 CO 0.00 0.45 1.38 -0.46 -0.92 0.00 0.00 175.35 175.80 2gtw s TRP 95 N -1.38 2.85 -0.27 3.18 -0.00 -0.31 -4.87 118.94 118.14 2gtw s TRP 95 Ca 0.42 0.84 0.03 0.00 -0.00 0.00 0.00 56.10 57.39 2gtw s TRP 95 Cb -0.20 -3.64 0.06 0.00 -0.00 0.00 0.00 33.47 29.69 2gtw s TRP 95 CO 0.24 -2.35 -0.08 0.34 -0.00 0.00 0.00 176.95 175.10 2gtw s ASP 96 N 1.90 4.41 0.00 5.86 -1.08 -1.26 -4.76 116.67 121.73 2gtw s ASP 96 Ca 0.63 -1.46 0.29 0.00 -0.52 0.00 0.00 52.55 51.49 2gtw s ASP 96 Cb -0.30 -1.51 1.56 0.00 -1.46 0.00 0.00 42.92 41.21 2gtw s ASP 96 CO 0.26 -0.22 2.04 -2.11 0.52 0.00 0.00 175.17 175.66 2gtw n ARG 97 N 4.44 0.58 -0.80 4.34 1.85 -1.26 -3.76 116.66 122.05 2gtw n ARG 97 Ca -0.12 0.01 -0.03 0.00 -1.00 0.00 0.00 57.85 56.71 2gtw n ARG 97 Cb 0.42 -1.50 0.24 0.00 -1.05 0.00 0.00 32.46 30.57 2gtw n ARG 97 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2gtw n ASP 98 N -1.19 3.62 -0.00 2.89 10.43 -1.26 -4.94 116.55 126.10 2gtw n ASP 98 Ca 0.16 -3.40 0.16 0.00 2.57 0.00 0.00 54.79 54.28 2gtw n ASP 98 Cb 0.19 -0.66 0.95 0.00 1.84 0.00 0.00 41.12 43.44 2gtw n ASP 98 CO 0.00 0.00 0.00 0.23 -1.07 0.00 0.00 177.20 176.36