#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ewu n PRO 2 N 0.00 0.96 -4.15 0.00 -0.02 -1.26 -5.00 135.00 125.53 2ewu n PRO 2 Ca 0.00 0.39 -0.29 0.00 -2.02 0.00 0.00 63.50 61.57 2ewu n PRO 2 Cb 0.00 -2.45 -0.08 0.00 -0.02 0.00 0.00 33.50 30.95 2ewu n PRO 2 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2ewu s LYS 3 N -3.34 2.48 0.32 -0.52 1.02 -1.26 -5.07 119.74 113.37 2ewu s LYS 3 Ca 0.81 -0.90 -0.29 0.00 0.02 0.00 0.00 55.97 55.60 2ewu s LYS 3 Cb -0.38 -2.48 -0.11 0.00 -0.52 0.00 0.00 37.83 34.34 2ewu s LYS 3 CO 0.43 0.52 1.52 0.00 -0.92 0.00 0.00 175.35 176.90 2ewu s ALA 4 N -1.37 3.66 0.90 5.17 0.00 -1.26 -5.00 121.76 123.85 2ewu s ALA 4 Ca 0.26 1.53 -0.14 0.00 0.00 0.00 0.00 51.96 53.60 2ewu s ALA 4 Cb -0.11 -3.61 0.14 0.00 0.00 0.00 0.00 23.12 19.54 2ewu s ALA 4 CO 0.18 -0.96 1.24 -1.25 0.00 0.00 0.00 175.76 174.97 2ewu s PRO 5 N -1.13 1.22 0.76 0.00 0.04 -1.26 -5.03 135.00 129.60 2ewu s PRO 5 Ca 0.58 -0.12 -0.15 0.00 0.04 0.00 0.00 61.00 61.35 2ewu s PRO 5 Cb -0.46 -1.89 0.05 0.00 0.04 0.00 0.00 34.50 32.24 2ewu s PRO 5 CO 0.53 -2.07 1.20 0.00 0.04 0.00 0.00 177.00 176.71 2ewu n ALA 6 N -3.59 0.28 -0.90 8.56 0.00 -1.26 -4.70 120.51 118.90 2ewu n ALA 6 Ca 0.11 -0.22 -0.29 0.00 0.00 0.00 0.00 53.44 53.04 2ewu n ALA 6 Cb 0.60 -2.26 0.18 0.00 0.00 0.00 0.00 19.45 17.98 2ewu n ALA 6 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2ewu s ASP 7 N -1.86 2.53 0.00 0.00 1.01 -1.26 -4.17 116.67 112.92 2ewu s ASP 7 Ca 0.76 1.61 0.00 0.00 0.71 0.00 0.00 52.55 55.63 2ewu s ASP 7 Cb -0.32 -2.27 0.00 0.00 1.01 0.00 0.00 42.92 41.34 2ewu s ASP 7 CO 0.48 -3.25 0.00 0.61 0.21 0.00 0.00 175.17 173.22 2ewu n GLY 8 N -0.27 0.58 3.70 0.21 0.00 -1.23 -5.02 105.19 103.16 2ewu n GLY 8 Ca 0.07 -0.55 -0.42 0.00 0.00 0.00 0.00 46.02 45.11 2ewu n GLY 8 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2ewu s LEU 9 N 0.00 4.35 -0.17 0.99 0.20 -1.01 -4.83 118.68 118.21 2ewu s LEU 9 Ca 0.00 2.24 -0.13 0.00 0.69 0.00 0.00 54.13 56.93 2ewu s LEU 9 Cb 0.00 -3.57 -0.05 0.00 -0.43 0.00 0.00 46.19 42.14 2ewu s LEU 9 CO 0.00 -0.69 0.24 -0.75 -0.29 0.00 0.00 176.35 174.86 2ewu s LYS 10 N 1.74 4.22 -0.30 1.98 2.20 -1.26 -0.69 119.74 127.63 2ewu s LYS 10 Ca 0.65 -0.00 -0.19 0.00 -0.36 0.00 0.00 55.97 56.07 2ewu s LYS 10 Cb -0.35 -3.42 -0.02 0.00 -1.51 0.00 0.00 37.83 32.54 2ewu s LYS 10 CO 0.29 0.27 0.54 -1.64 -0.36 0.00 0.00 175.35 174.45 2ewu s MET 11 N 0.40 3.88 -0.17 4.03 -1.94 0.63 -4.94 119.30 121.19 2ewu s MET 11 Ca 0.14 0.16 0.22 0.00 -1.71 0.00 0.00 55.69 54.50 2ewu s MET 11 Cb -0.12 -3.72 0.48 0.00 2.01 0.00 0.00 34.83 33.47 2ewu s MET 11 CO 0.02 -0.50 1.14 -0.40 -0.01 0.00 0.00 175.02 175.27 2ewu n ASP 12 N 5.70 1.61 0.09 3.03 5.68 -1.26 -1.12 116.55 130.27 2ewu n ASP 12 Ca -0.04 -2.21 0.12 0.00 -0.50 0.00 0.00 54.79 52.17 2ewu n ASP 12 Cb 0.49 -0.41 0.45 0.00 -1.14 0.00 0.00 41.12 40.51 2ewu n ASP 12 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2ewu n LYS 13 N -0.26 0.18 -4.54 0.11 4.76 -1.26 -4.88 118.16 112.27 2ewu n LYS 13 Ca 0.10 0.27 -0.26 0.00 -2.87 0.00 0.00 58.31 55.55 2ewu n LYS 13 Cb 0.92 -1.77 -0.09 0.00 -1.84 0.00 0.00 35.03 32.26 2ewu n LYS 13 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2ewu s THR 14 N -3.16 0.98 -2.02 -0.18 -4.23 -1.26 -5.03 115.64 100.74 2ewu s THR 14 Ca 0.08 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 58.67 2ewu s THR 14 Cb 0.12 -2.51 0.20 0.00 1.34 0.00 0.00 72.50 71.65 2ewu s THR 14 CO 0.48 0.00 1.24 0.29 -0.54 0.00 0.00 174.62 176.09 2ewu n LYS 15 N -0.90 1.19 -3.17 3.99 5.02 -1.26 -3.88 118.16 119.16 2ewu n LYS 15 Ca -0.07 -0.30 -0.26 0.00 -2.02 0.00 0.00 58.31 55.67 2ewu n LYS 15 Cb 0.66 -1.14 -0.06 0.00 -0.02 0.00 0.00 35.03 34.47 2ewu n LYS 15 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2ewu n GLN 16 N -0.32 2.43 -1.73 1.97 1.13 -1.26 -5.10 117.38 114.49 2ewu n GLN 16 Ca 0.06 -4.43 -0.34 0.00 -1.94 0.00 0.00 57.00 50.35 2ewu n GLN 16 Cb 0.09 -2.07 0.05 0.00 0.11 0.00 0.00 30.24 28.43 2ewu n GLN 16 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 2ewu s PRO 17 N -2.74 2.68 -0.01 -1.09 0.04 -1.25 -5.00 135.00 127.63 2ewu s PRO 17 Ca 0.43 1.53 0.01 0.00 0.04 0.00 0.00 61.00 63.02 2ewu s PRO 17 Cb 0.23 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.85 2ewu s PRO 17 CO -0.08 -1.37 -0.04 0.08 0.04 0.00 0.00 177.00 175.62 2ewu s VAL 18 N -2.15 0.35 -0.02 -0.36 1.01 -0.28 -4.90 120.40 114.04 2ewu s VAL 18 Ca 0.70 -0.16 -0.19 0.00 0.00 0.00 0.00 61.98 62.33 2ewu s VAL 18 Cb -0.24 -0.31 -0.05 0.00 0.00 0.00 0.00 36.38 35.78 2ewu s VAL 18 CO 0.41 0.11 0.53 -0.69 0.00 0.00 0.00 175.10 175.45 2ewu s VAL 19 N 0.04 4.98 -0.12 2.92 1.01 -1.26 -0.27 120.40 127.70 2ewu s VAL 19 Ca 0.00 1.09 0.02 0.00 0.00 0.00 0.00 61.98 63.10 2ewu s VAL 19 Cb -0.03 -3.86 -0.00 0.00 0.00 0.00 0.00 36.38 32.49 2ewu s VAL 19 CO -0.00 0.44 -0.19 -2.28 0.00 0.00 0.00 175.10 173.06 2ewu s HIS 20 N -0.23 2.68 -0.21 5.22 2.46 0.13 -4.96 115.29 120.37 2ewu s HIS 20 Ca 0.28 -0.99 -0.04 0.00 0.47 0.00 0.00 55.06 54.78 2ewu s HIS 20 Cb -0.17 -1.79 -0.01 0.00 -0.13 0.00 0.00 32.58 30.48 2ewu s HIS 20 CO 0.15 -0.41 -0.05 -0.80 -2.47 0.00 0.00 174.74 171.16 2ewu s ASN 21 N 0.50 4.27 0.30 9.88 0.01 -1.26 -2.39 114.94 126.25 2ewu s ASN 21 Ca -0.13 -0.39 0.04 0.00 -0.71 0.00 0.00 52.86 51.67 2ewu s ASN 21 Cb -0.17 -1.73 0.49 0.00 0.41 0.00 0.00 41.25 40.26 2ewu s ASN 21 CO 0.05 -0.00 1.77 0.45 -1.51 0.00 0.00 177.10 177.86 2ewu h HIS 22 N 7.99 0.49 -0.14 2.20 3.86 -1.84 -3.12 115.15 124.60 2ewu h HIS 22 Ca -0.40 -0.09 -0.05 0.00 -1.16 0.00 0.00 60.37 58.67 2ewu h HIS 22 Cb 1.16 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 29.49 2ewu h HIS 22 CO 0.58 0.62 -0.14 0.66 0.86 0.00 0.00 177.93 180.51 2ewu h SER 23 N 0.41 0.21 0.70 2.45 4.64 -1.94 0.31 113.55 120.34 2ewu h SER 23 Ca 0.07 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 2ewu h SER 23 Cb 0.57 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 2ewu h SER 23 CO 0.04 0.38 0.00 0.35 -0.87 0.00 0.00 176.83 176.73 2ewu n THR 24 N -4.27 0.18 -0.57 2.95 -2.24 -1.18 -2.89 114.28 106.26 2ewu n THR 24 Ca -0.01 0.05 0.07 0.00 -2.27 0.00 0.00 64.05 61.89 2ewu n THR 24 Cb 0.27 -0.60 0.22 0.00 -2.10 0.00 0.00 70.33 68.12 2ewu n THR 24 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2ewu n HIS 25 N -1.40 0.79 0.31 4.78 8.25 0.07 -4.74 115.22 123.29 2ewu n HIS 25 Ca 0.09 -0.67 0.16 0.00 -0.26 0.00 0.00 57.72 57.05 2ewu n HIS 25 Cb 0.26 -0.18 0.74 0.00 1.12 0.00 0.00 29.99 31.93 2ewu n HIS 25 CO 0.00 0.00 0.00 1.57 0.64 0.00 0.00 176.34 178.55 2ewu h LYS 26 N 2.18 0.00 0.00 -0.41 2.10 -1.35 -1.23 116.57 117.86 2ewu h LYS 26 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2ewu h LYS 26 Cb 1.12 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.45 2ewu h LYS 26 CO 0.12 0.00 -0.05 0.00 -2.00 0.00 0.00 179.45 177.53 2ewu n ALA 27 N -1.97 2.43 -2.56 0.07 0.00 -1.26 -4.76 120.51 112.45 2ewu n ALA 27 Ca -0.00 -0.11 -0.39 0.00 0.00 0.00 0.00 53.44 52.94 2ewu n ALA 27 Cb 0.20 -1.44 -0.05 0.00 0.00 0.00 0.00 19.45 18.16 2ewu n ALA 27 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2ewu s VAL 28 N -3.01 4.98 0.45 0.00 1.01 -0.47 -5.05 120.40 118.30 2ewu s VAL 28 Ca 0.13 1.24 -0.24 0.00 0.00 0.00 0.00 61.98 63.11 2ewu s VAL 28 Cb 0.18 -3.93 -0.08 0.00 0.00 0.00 0.00 36.38 32.55 2ewu s VAL 28 CO 0.55 0.38 1.27 -1.59 0.00 0.00 0.00 175.10 175.71 2ewu s LYS 29 N 0.10 3.74 0.28 2.72 -2.85 -1.26 -4.88 119.74 117.59 2ewu s LYS 29 Ca 0.31 2.05 0.01 0.00 -1.00 0.00 0.00 55.97 57.35 2ewu s LYS 29 Cb -0.18 -2.55 0.58 0.00 -2.06 0.00 0.00 37.83 33.62 2ewu s LYS 29 CO 0.16 -0.65 1.80 0.00 0.10 0.00 0.00 175.35 176.77 2ewu n GLY 31 N -1.33 -1.03 0.18 0.00 0.00 -1.26 -1.06 105.19 100.68 2ewu n GLY 31 Ca 0.19 -0.15 0.04 0.00 0.00 0.00 0.00 46.02 46.10 2ewu n GLY 31 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2ewu h ASP 32 N 0.00 0.00 0.00 1.61 5.19 -1.56 -3.24 116.42 118.42 2ewu h ASP 32 Ca 0.00 0.00 -0.30 0.00 -0.62 0.00 0.00 57.03 56.11 2ewu h ASP 32 Cb 0.14 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 39.61 2ewu h ASP 32 CO 0.00 0.42 -1.97 0.00 -3.12 0.00 0.00 179.24 174.57 2ewu n HIS 34 N -4.10 3.49 -1.71 0.00 8.25 -0.23 -4.97 115.22 115.94 2ewu n HIS 34 Ca -0.38 -2.92 -0.30 0.00 -0.26 0.00 0.00 57.72 53.86 2ewu n HIS 34 Cb 0.74 -2.36 0.07 0.00 1.12 0.00 0.00 29.99 29.55 2ewu n HIS 34 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2ewu s HIS 35 N 2.35 3.04 0.37 4.41 -0.00 -1.22 -3.38 115.29 120.86 2ewu s HIS 35 Ca 0.45 1.08 -0.28 0.00 -0.00 0.00 0.00 55.06 56.31 2ewu s HIS 35 Cb 0.11 -3.13 -0.11 0.00 -0.00 0.00 0.00 32.58 29.46 2ewu s HIS 35 CO -0.05 -1.53 1.45 -2.14 -0.00 0.00 0.00 174.74 172.48 2ewu s PRO 36 N -5.27 4.13 -0.04 -0.38 0.02 -1.26 -1.41 135.00 130.79 2ewu s PRO 36 Ca 0.60 2.50 0.01 0.00 0.02 0.00 0.00 61.00 64.12 2ewu s PRO 36 Cb -0.13 -2.97 0.02 0.00 0.02 0.00 0.00 34.50 31.45 2ewu s PRO 36 CO 0.53 -0.49 -0.02 0.08 -0.33 0.00 0.00 177.00 176.77 2ewu s VAL 37 N -1.13 0.39 -1.32 3.83 1.01 0.06 -4.79 120.40 118.46 2ewu s VAL 37 Ca 0.52 -0.02 -0.07 0.00 0.00 0.00 0.00 61.98 62.42 2ewu s VAL 37 Cb -0.45 -0.46 0.05 0.00 0.00 0.00 0.00 36.38 35.52 2ewu s VAL 37 CO 0.61 0.20 0.46 0.59 0.00 0.00 0.00 175.10 176.96 2ewu n ASN 38 N 4.23 -4.31 0.00 3.32 3.02 -1.26 -1.83 115.26 118.43 2ewu n ASN 38 Ca -0.23 -0.29 0.00 0.00 -0.03 0.00 0.00 54.58 54.03 2ewu n ASN 38 Cb 0.51 -3.55 0.00 0.00 -0.61 0.00 0.00 39.78 36.12 2ewu n ASN 38 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ewu n GLY 39 N -1.21 0.83 3.00 7.41 0.00 -1.26 -5.03 105.19 108.93 2ewu n GLY 39 Ca -0.06 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.73 2ewu n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ewu s LYS 40 N -0.27 1.56 0.17 1.61 1.02 -0.76 -5.00 119.74 118.06 2ewu s LYS 40 Ca 0.00 -0.37 -0.34 0.00 0.02 0.00 0.00 55.97 55.29 2ewu s LYS 40 Cb 0.00 -1.31 -0.14 0.00 -0.52 0.00 0.00 37.83 35.85 2ewu s LYS 40 CO 0.00 0.01 1.46 0.39 -0.92 0.00 0.00 175.35 176.30 2ewu n GLU 41 N 3.83 1.87 -3.83 1.68 1.02 -1.26 -0.76 120.64 123.19 2ewu n GLU 41 Ca -0.23 0.67 -0.36 0.00 -0.02 0.00 0.00 57.16 57.22 2ewu n GLU 41 Cb 0.52 -2.37 -0.13 0.00 -0.02 0.00 0.00 31.44 29.43 2ewu n GLU 41 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2ewu s ASP 42 N 0.62 4.75 -0.07 1.62 -1.08 -0.50 -4.86 116.67 117.15 2ewu s ASP 42 Ca 0.77 -0.44 0.19 0.00 -0.52 0.00 0.00 52.55 52.55 2ewu s ASP 42 Cb -0.73 -1.82 0.65 0.00 -1.46 0.00 0.00 42.92 39.55 2ewu s ASP 42 CO 0.43 -0.07 1.56 -1.22 0.52 0.00 0.00 175.17 176.39 2ewu n TYR 43 N 4.85 1.22 -1.10 -5.34 4.01 -1.26 -4.10 117.16 115.44 2ewu n TYR 43 Ca -0.17 -0.58 -0.31 0.00 -0.16 0.00 0.00 57.90 56.69 2ewu n TYR 43 Cb 0.50 -0.16 0.13 0.00 -0.31 0.00 0.00 39.34 39.50 2ewu n TYR 43 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 2ewu s GLN 44 N -1.57 1.58 0.42 -0.72 -0.21 -1.26 -4.96 119.66 112.93 2ewu s GLN 44 Ca 0.48 1.13 -0.25 0.00 0.02 0.00 0.00 55.36 56.73 2ewu s GLN 44 Cb 0.29 -1.82 -0.10 0.00 1.00 0.00 0.00 33.01 32.38 2ewu s GLN 44 CO 0.26 -2.10 1.22 1.63 -2.12 0.00 0.00 175.29 174.18 2ewu n LYS 45 N -3.83 1.82 0.15 2.91 5.02 -1.26 -4.86 118.16 118.11 2ewu n LYS 45 Ca 0.09 0.65 0.05 0.00 -2.02 0.00 0.00 58.31 57.08 2ewu n LYS 45 Cb 0.53 -2.31 0.51 0.00 -0.02 0.00 0.00 35.03 33.74 2ewu n LYS 45 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2ewu n ALA 47 N -2.51 3.26 -1.53 0.00 0.00 -1.26 -0.91 120.51 117.57 2ewu n ALA 47 Ca -0.01 -1.39 -0.41 0.00 0.00 0.00 0.00 53.44 51.63 2ewu n ALA 47 Cb 0.13 -1.06 0.01 0.00 0.00 0.00 0.00 19.45 18.53 2ewu n ALA 47 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2ewu n THR 48 N 0.72 2.22 -1.65 0.00 -1.04 -0.70 -4.33 114.28 109.51 2ewu n THR 48 Ca 0.22 -0.50 -0.46 0.00 -2.04 0.00 0.00 64.05 61.26 2ewu n THR 48 Cb 0.86 -0.83 -0.03 0.00 -1.82 0.00 0.00 70.33 68.51 2ewu n THR 48 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2ewu n ALA 49 N -0.84 0.62 0.00 2.41 0.00 -1.26 -0.51 120.51 120.93 2ewu n ALA 49 Ca 0.11 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.98 2ewu n ALA 49 Cb 0.40 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.63 2ewu n ALA 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ewu n GLY 50 N 2.35 2.34 0.00 0.00 0.00 -1.26 -4.98 105.19 103.64 2ewu n GLY 50 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 2ewu n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ewu n HIS 52 N 0.00 2.63 0.29 0.00 8.25 -0.09 -4.23 115.22 122.07 2ewu n HIS 52 Ca 0.00 -2.70 0.12 0.00 -0.26 0.00 0.00 57.72 54.88 2ewu n HIS 52 Cb 0.00 -1.61 0.22 0.00 1.12 0.00 0.00 29.99 29.73 2ewu n HIS 52 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 2ewu n ASP 53 N 1.83 3.49 -4.53 0.41 5.75 -0.87 -4.08 116.55 118.55 2ewu n ASP 53 Ca 0.45 -1.99 -0.43 0.00 -0.01 0.00 0.00 54.79 52.81 2ewu n ASP 53 Cb 0.30 -0.26 -0.06 0.00 -1.03 0.00 0.00 41.12 40.07 2ewu n ASP 53 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 2ewu s ASN 54 N -1.47 6.37 -0.09 -1.12 3.84 0.03 -4.91 114.94 117.59 2ewu s ASN 54 Ca 0.39 -0.21 0.09 0.00 0.21 0.00 0.00 52.86 53.34 2ewu s ASN 54 Cb 0.23 -2.35 0.41 0.00 -0.55 0.00 0.00 41.25 38.99 2ewu s ASN 54 CO 0.32 -0.82 1.20 0.23 -2.79 0.00 0.00 177.10 175.24 2ewu n MET 55 N 6.42 2.73 -2.82 0.43 2.81 -1.26 -1.75 117.12 123.69 2ewu n MET 55 Ca -0.00 -1.60 -0.43 0.00 -1.81 0.00 0.00 57.70 53.87 2ewu n MET 55 Cb 0.48 -1.73 -0.04 0.00 -0.71 0.00 0.00 33.22 31.22 2ewu n MET 55 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2ewu s ASP 56 N -0.59 6.68 0.00 7.83 -1.08 -1.26 -4.93 116.67 123.32 2ewu s ASP 56 Ca 0.28 0.58 0.16 0.00 -0.52 0.00 0.00 52.55 53.05 2ewu s ASP 56 Cb 0.20 -2.46 0.75 0.00 -1.46 0.00 0.00 42.92 39.95 2ewu s ASP 56 CO 0.11 -0.84 1.48 2.29 0.52 0.00 0.00 175.17 178.73 2ewu n LYS 57 N 6.72 0.13 0.02 4.34 2.85 -1.26 -1.44 118.16 129.51 2ewu n LYS 57 Ca 0.07 0.18 0.12 0.00 -1.05 0.00 0.00 58.31 57.62 2ewu n LYS 57 Cb 0.48 -1.50 0.18 0.00 -0.65 0.00 0.00 35.03 33.54 2ewu n LYS 57 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 2ewu n LYS 58 N -1.38 0.11 -2.24 -1.58 5.02 -1.26 -4.65 118.16 112.19 2ewu n LYS 58 Ca 0.06 0.02 -0.41 0.00 -2.02 0.00 0.00 58.31 55.96 2ewu n LYS 58 Cb 0.15 -1.56 -0.03 0.00 -0.02 0.00 0.00 35.03 33.58 2ewu n LYS 58 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2ewu s ASP 59 N -3.43 6.94 -0.02 4.39 2.15 -0.52 -4.92 116.67 121.25 2ewu s ASP 59 Ca 0.09 2.54 0.05 0.00 0.43 0.00 0.00 52.55 55.66 2ewu s ASP 59 Cb 0.16 -2.64 0.13 0.00 -0.30 0.00 0.00 42.92 40.26 2ewu s ASP 59 CO 0.73 -0.41 1.09 0.29 -0.17 0.00 0.00 175.17 176.71 2ewu n LYS 60 N 1.00 2.80 -1.66 4.34 4.76 -1.26 -4.29 118.16 123.86 2ewu n LYS 60 Ca -0.00 -1.80 -0.30 0.00 -2.87 0.00 0.00 58.31 53.35 2ewu n LYS 60 Cb 0.43 -1.15 0.19 0.00 -1.84 0.00 0.00 35.03 32.65 2ewu n LYS 60 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 2ewu s SER 61 N -1.22 2.69 0.00 4.39 1.04 -1.26 -4.89 113.70 114.45 2ewu s SER 61 Ca 0.11 0.49 0.12 0.00 0.48 0.00 0.00 55.95 57.15 2ewu s SER 61 Cb 0.07 -0.68 0.61 0.00 0.10 0.00 0.00 66.02 66.12 2ewu s SER 61 CO 0.05 -3.01 1.33 0.00 0.98 0.00 0.00 173.24 172.58 2ewu n ALA 62 N -3.99 1.71 0.81 5.32 0.00 -1.26 -1.50 120.51 121.59 2ewu n ALA 62 Ca 0.13 -0.06 0.11 0.00 0.00 0.00 0.00 53.44 53.63 2ewu n ALA 62 Cb 0.60 -1.20 0.04 0.00 0.00 0.00 0.00 19.45 18.88 2ewu n ALA 62 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2ewu n LYS 63 N -1.32 0.13 -2.28 0.00 5.02 -1.26 -4.41 118.16 114.03 2ewu n LYS 63 Ca 0.05 -0.01 -0.43 0.00 -2.02 0.00 0.00 58.31 55.91 2ewu n LYS 63 Cb 0.11 -1.54 -0.02 0.00 -0.02 0.00 0.00 35.03 33.56 2ewu n LYS 63 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2ewu s GLY 64 N -3.29 1.33 0.01 0.72 0.00 -0.56 -0.79 107.32 104.74 2ewu s GLY 64 Ca 0.07 0.31 -0.25 0.00 0.00 0.00 0.00 44.72 44.84 2ewu s GLY 64 CO 0.80 2.77 1.37 -1.82 0.00 0.00 0.00 173.10 176.21 2ewu h TYR 65 N 9.84 -0.05 -0.29 1.90 5.03 -1.49 -2.18 116.97 129.74 2ewu h TYR 65 Ca -0.30 -0.00 0.05 0.00 2.58 0.00 0.00 58.73 61.07 2ewu h TYR 65 Cb 1.12 0.02 -0.05 0.00 1.55 0.00 0.00 36.73 39.37 2ewu h TYR 65 CO 0.89 0.31 -0.03 -0.92 -1.32 0.00 0.00 178.16 177.09 2ewu h TYR 66 N -0.41 -0.07 -0.78 -3.82 5.03 -1.86 -2.28 116.97 112.77 2ewu h TYR 66 Ca -0.01 0.02 0.11 0.00 2.58 0.00 0.00 58.73 61.44 2ewu h TYR 66 Cb 0.38 0.08 -0.08 0.00 1.55 0.00 0.00 36.73 38.66 2ewu h TYR 66 CO 0.05 -0.08 0.40 1.25 -1.32 0.00 0.00 178.16 178.46 2ewu h HIS 67 N 0.05 0.72 0.00 -3.82 2.76 -1.72 -1.51 115.15 111.62 2ewu h HIS 67 Ca 0.14 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.32 2ewu h HIS 67 Cb 0.20 -0.20 -0.00 0.00 1.55 0.00 0.00 27.41 28.95 2ewu h HIS 67 CO -0.24 0.23 -0.09 0.00 -1.30 0.00 0.00 177.93 176.53 2ewu h ALA 68 N 1.48 1.15 0.00 5.26 0.00 -0.80 -2.14 119.26 124.21 2ewu h ALA 68 Ca 0.40 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 2ewu h ALA 68 Cb 0.48 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 2ewu h ALA 68 CO -0.30 0.11 -1.82 -1.33 0.00 0.00 0.00 179.25 175.90 2ewu n MET 69 N -3.41 0.65 0.00 0.00 2.81 -0.70 -4.28 117.12 112.19 2ewu n MET 69 Ca -0.01 -0.13 0.00 0.00 -1.81 0.00 0.00 57.70 55.75 2ewu n MET 69 Cb 0.25 -1.58 0.00 0.00 -0.71 0.00 0.00 33.22 31.17 2ewu n MET 69 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 2ewu n HIS 70 N -2.36 0.00 -3.39 2.03 -0.00 -0.65 -2.07 115.22 108.77 2ewu n HIS 70 Ca -0.04 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.42 2ewu n HIS 70 Cb 0.59 0.00 -0.02 0.00 -0.00 0.00 0.00 29.99 30.56 2ewu n HIS 70 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 2ewu s ASP 71 N -2.19 6.34 0.50 0.41 1.01 -0.82 -4.40 116.67 117.52 2ewu s ASP 71 Ca 0.00 0.52 -0.01 0.00 0.71 0.00 0.00 52.55 53.77 2ewu s ASP 71 Cb 0.00 -2.06 0.01 0.00 1.01 0.00 0.00 42.92 41.87 2ewu s ASP 71 CO 0.00 -0.24 0.74 -0.54 0.21 0.00 0.00 175.17 175.34 2ewu s LYS 72 N -4.01 2.93 -0.43 8.23 1.02 -1.26 -4.28 119.74 121.93 2ewu s LYS 72 Ca 0.41 -0.43 0.00 0.00 0.02 0.00 0.00 55.97 55.97 2ewu s LYS 72 Cb -0.10 -2.48 0.00 0.00 -0.52 0.00 0.00 37.83 34.73 2ewu s LYS 72 CO 0.34 -0.46 0.00 0.41 -0.92 0.00 0.00 175.35 174.72 2ewu n GLY 73 N -2.25 0.69 3.92 -3.33 0.00 -1.26 -5.01 105.19 97.96 2ewu n GLY 73 Ca 0.03 -0.66 -0.27 0.00 0.00 0.00 0.00 46.02 45.12 2ewu n GLY 73 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ewu s THR 74 N -2.10 5.04 0.36 2.61 -4.23 -1.26 -5.00 115.64 111.07 2ewu s THR 74 Ca 0.00 -0.11 0.06 0.00 -1.18 0.00 0.00 61.69 60.46 2ewu s THR 74 Cb 0.00 -3.79 0.17 0.00 1.34 0.00 0.00 72.50 70.23 2ewu s THR 74 CO 0.00 -0.45 1.91 0.50 -0.54 0.00 0.00 174.62 176.04 2ewu h LYS 75 N 1.25 0.45 -6.40 3.99 3.64 -1.98 -3.38 116.57 114.14 2ewu h LYS 75 Ca -0.48 -0.09 -0.69 0.00 -1.27 0.00 0.00 60.65 58.12 2ewu h LYS 75 Cb 1.20 -0.07 -0.24 0.00 -0.41 0.00 0.00 32.23 32.71 2ewu h LYS 75 CO 0.64 0.48 -0.79 -0.06 -2.27 0.00 0.00 179.45 177.45 2ewu s PHE 76 N -4.98 2.64 0.29 1.91 0.08 -1.26 -5.10 117.98 111.57 2ewu s PHE 76 Ca -0.07 -0.20 -0.30 0.00 0.12 0.00 0.00 56.93 56.48 2ewu s PHE 76 Cb 0.16 -1.59 -0.11 0.00 -0.57 0.00 0.00 43.02 40.91 2ewu s PHE 76 CO 0.75 0.18 1.50 0.15 -0.10 0.00 0.00 175.22 177.70 2ewu s LYS 77 N -0.86 4.19 0.76 0.44 1.02 -1.26 -5.00 119.74 119.03 2ewu s LYS 77 Ca 0.12 2.44 -0.09 0.00 0.02 0.00 0.00 55.97 58.46 2ewu s LYS 77 Cb -0.11 -3.05 0.08 0.00 -0.52 0.00 0.00 37.83 34.23 2ewu s LYS 77 CO 0.01 -0.50 1.10 -1.54 -0.92 0.00 0.00 175.35 173.50 2ewu s SER 78 N 0.29 4.60 0.15 2.83 1.04 -1.26 -4.77 113.70 116.57 2ewu s SER 78 Ca 0.59 0.59 -0.24 0.00 0.48 0.00 0.00 55.95 57.37 2ewu s SER 78 Cb -0.45 -1.14 0.02 0.00 0.10 0.00 0.00 66.02 64.56 2ewu s SER 78 CO 0.48 -1.79 1.60 0.00 0.98 0.00 0.00 173.24 174.52 2ewu h VAL 80 N -0.31 1.27 -0.24 0.00 2.07 -1.67 -1.77 116.25 115.61 2ewu h VAL 80 Ca 0.14 -1.62 0.01 0.00 0.82 0.00 0.00 66.70 66.05 2ewu h VAL 80 Cb 0.54 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.76 2ewu h VAL 80 CO -0.46 0.54 0.13 1.23 0.02 0.00 0.00 177.57 179.02 2ewu h GLY 81 N 0.77 0.33 0.94 2.17 0.00 -1.66 1.00 103.07 106.61 2ewu h GLY 81 Ca 0.05 -0.10 -0.03 0.00 0.00 0.00 0.00 47.33 47.24 2ewu h GLY 81 CO 0.10 0.09 0.13 0.00 0.00 0.00 0.00 176.54 176.86 2ewu h HIS 83 N 0.51 0.45 -0.65 0.00 3.86 -0.92 -1.14 115.15 117.27 2ewu h HIS 83 Ca 0.13 0.01 -0.04 0.00 -1.16 0.00 0.00 60.37 59.31 2ewu h HIS 83 Cb 0.25 -0.15 -0.03 0.00 1.06 0.00 0.00 27.41 28.54 2ewu h HIS 83 CO 0.01 0.28 0.24 -0.07 0.86 0.00 0.00 177.93 179.25 2ewu h LEU 84 N 0.49 0.92 -0.58 2.43 3.38 -0.64 -0.27 115.31 121.03 2ewu h LEU 84 Ca 0.15 -0.18 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 2ewu h LEU 84 Cb -0.00 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 2ewu h LEU 84 CO -0.03 0.85 0.07 -0.33 0.09 0.00 0.00 178.44 179.09 2ewu h GLU 85 N 0.92 0.97 -0.58 1.13 5.08 -1.29 -2.17 114.58 118.65 2ewu h GLU 85 Ca 0.21 -0.27 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2ewu h GLU 85 Cb 0.24 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 2ewu h GLU 85 CO -0.01 0.93 0.35 1.15 -1.00 0.00 0.00 179.01 180.43 2ewu h THR 86 N 0.87 1.17 -0.12 1.13 2.02 -0.75 -2.98 112.91 114.25 2ewu h THR 86 Ca 0.17 -0.38 -0.10 0.00 0.77 0.00 0.00 66.41 66.87 2ewu h THR 86 Cb 0.45 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 2ewu h THR 86 CO 0.02 0.17 -0.38 0.00 0.37 0.00 0.00 175.52 175.70 2ewu h ALA 87 N 1.18 1.14 -0.84 6.16 0.00 -0.95 -3.48 119.26 122.46 2ewu h ALA 87 Ca 0.21 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2ewu h ALA 87 Cb -0.02 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2ewu h ALA 87 CO -0.04 0.57 0.00 0.41 0.00 0.00 0.00 179.25 180.19 2ewu n GLY 88 N -0.24 3.50 0.73 0.00 0.00 -0.83 -1.53 105.19 106.81 2ewu n GLY 88 Ca -0.01 -0.06 0.11 0.00 0.00 0.00 0.00 46.02 46.06 2ewu n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ewu n ALA 89 N 11.30 2.49 -2.64 4.61 0.00 -1.26 -4.85 120.51 130.16 2ewu n ALA 89 Ca 0.00 -0.65 -0.42 0.00 0.00 0.00 0.00 53.44 52.36 2ewu n ALA 89 Cb 0.00 -1.02 -0.03 0.00 0.00 0.00 0.00 19.45 18.39 2ewu n ALA 89 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2ewu s ASP 90 N -1.55 6.34 0.39 0.00 3.68 -0.58 -4.90 116.67 120.04 2ewu s ASP 90 Ca 0.34 -0.28 0.08 0.00 2.13 0.00 0.00 52.55 54.82 2ewu s ASP 90 Cb 0.19 -2.49 0.78 0.00 -1.45 0.00 0.00 42.92 39.95 2ewu s ASP 90 CO 0.28 -1.40 1.94 0.00 0.13 0.00 0.00 175.17 176.11 2ewu h ALA 91 N 9.50 1.53 -0.26 3.66 0.00 -1.88 0.85 119.26 132.66 2ewu h ALA 91 Ca -0.26 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 2ewu h ALA 91 Cb 1.06 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 2ewu h ALA 91 CO 1.15 0.34 0.03 0.00 0.00 0.00 0.00 179.25 180.77 2ewu h ALA 92 N 1.65 0.35 -0.03 0.00 0.00 -1.96 -0.84 119.26 118.42 2ewu h ALA 92 Ca 0.07 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 2ewu h ALA 92 Cb 0.28 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2ewu h ALA 92 CO 0.01 0.04 -0.39 0.87 0.00 0.00 0.00 179.25 179.78 2ewu h LYS 93 N 0.24 0.06 -0.58 0.00 1.79 -1.77 -1.37 116.57 114.95 2ewu h LYS 93 Ca 0.08 -0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.51 2ewu h LYS 93 Cb 0.35 -0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.97 2ewu h LYS 93 CO 0.01 0.44 0.31 0.87 -1.08 0.00 0.00 179.45 180.00 2ewu h LYS 94 N 0.05 0.82 -0.10 3.15 1.57 -0.42 0.52 116.57 122.16 2ewu h LYS 94 Ca 0.00 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 2ewu h LYS 94 Cb 0.71 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.86 2ewu h LYS 94 CO 0.05 0.63 0.03 -0.22 -0.57 0.00 0.00 179.45 179.38 2ewu h LYS 95 N 0.79 0.15 -0.75 3.15 1.63 -0.79 0.15 116.57 120.89 2ewu h LYS 95 Ca 0.20 -0.03 -0.03 0.00 -0.85 0.00 0.00 60.65 59.94 2ewu h LYS 95 Cb 0.06 -0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 31.63 2ewu h LYS 95 CO -0.03 0.29 0.35 0.93 -3.45 0.00 0.00 179.45 177.53 2ewu h GLU 96 N -0.02 1.09 0.00 1.90 5.08 -1.10 -1.87 114.58 119.67 2ewu h GLU 96 Ca 0.03 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 2ewu h GLU 96 Cb 0.20 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.26 2ewu h GLU 96 CO -0.00 0.86 -1.83 1.28 -1.00 0.00 0.00 179.01 178.33 2ewu n LEU 97 N -4.37 0.05 0.00 1.33 4.77 0.16 -0.35 117.00 118.58 2ewu n LEU 97 Ca 0.06 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 2ewu n LEU 97 Cb 0.15 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 2ewu n LEU 97 CO 0.39 0.01 0.10 0.35 -1.33 0.00 0.00 177.39 176.91 2ewu n THR 98 N -2.13 0.00 -2.13 -5.08 -2.24 0.49 -4.86 114.28 98.34 2ewu n THR 98 Ca -0.03 -0.24 -0.38 0.00 -2.27 0.00 0.00 64.05 61.13 2ewu n THR 98 Cb 0.49 1.42 -0.00 0.00 -2.10 0.00 0.00 70.33 70.14 2ewu n THR 98 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2ewu s GLY 99 N -0.09 2.87 0.46 3.38 0.00 -0.70 -4.91 107.32 108.32 2ewu s GLY 99 Ca 0.00 1.10 0.25 0.00 0.00 0.00 0.00 44.72 46.07 2ewu s GLY 99 CO 0.00 1.63 1.69 0.00 0.00 0.00 0.00 173.10 176.41 2ewu s LYS 101 N -3.30 0.75 -1.65 0.00 -2.85 -1.26 -4.75 119.74 106.68 2ewu s LYS 101 Ca 0.06 -1.21 0.00 0.00 -1.00 0.00 0.00 55.97 53.81 2ewu s LYS 101 Cb 0.06 0.25 0.00 0.00 -2.06 0.00 0.00 37.83 36.08 2ewu s LYS 101 CO 0.64 -0.19 0.00 0.41 0.10 0.00 0.00 175.35 176.32 2ewu n GLY 102 N 0.02 0.95 3.63 0.59 0.00 -0.45 -4.95 105.19 104.96 2ewu n GLY 102 Ca -0.12 -0.21 -0.27 0.00 0.00 0.00 0.00 46.02 45.43 2ewu n GLY 102 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ewu n SER 103 N -0.89 2.85 0.14 1.61 3.41 -0.11 -4.75 113.62 115.88 2ewu n SER 103 Ca -0.18 -2.90 0.13 0.00 -0.26 0.00 0.00 58.87 55.66 2ewu n SER 103 Cb 0.59 0.05 0.47 0.00 -0.26 0.00 0.00 64.21 65.06 2ewu n SER 103 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2ewu h LYS 104 N 0.00 0.00 0.03 4.33 1.57 -0.94 -3.23 116.57 118.32 2ewu h LYS 104 Ca -0.35 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.14 2ewu h LYS 104 Cb 1.23 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.50 2ewu h LYS 104 CO 0.56 0.00 -1.56 0.00 -0.57 0.00 0.00 179.45 177.88 2ewu s HIS 106 N -2.42 1.87 -2.00 0.00 3.76 -1.22 -4.65 115.29 110.62 2ewu s HIS 106 Ca -0.28 -0.73 0.18 0.00 -0.15 0.00 0.00 55.06 54.07 2ewu s HIS 106 Cb 0.07 -1.31 1.09 0.00 1.11 0.00 0.00 32.58 33.54 2ewu s HIS 106 CO 0.62 -0.34 1.49 -1.13 -0.85 0.00 0.00 174.74 174.53