#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dle s SER 2 N 0.00 -0.57 0.25 1.61 1.04 -1.26 -5.14 113.70 109.63 2dle s SER 2 Ca 0.00 0.71 -0.31 0.00 0.48 0.00 0.00 55.95 56.84 2dle s SER 2 Cb 0.00 0.65 -0.11 0.00 0.10 0.00 0.00 66.02 66.65 2dle s SER 2 CO 0.00 -0.50 1.62 -0.44 0.98 0.00 0.00 173.24 174.90 2dle s SER 3 N -0.91 6.41 0.00 7.02 0.01 -1.26 -4.86 113.70 120.11 2dle s SER 3 Ca -0.09 2.88 0.00 0.00 1.31 0.00 0.00 55.95 60.05 2dle s SER 3 Cb -0.02 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.59 2dle s SER 3 CO 0.07 -0.91 0.00 0.61 0.41 0.00 0.00 173.24 173.42 2dle n GLY 4 N 2.82 1.26 0.07 3.44 0.00 -1.26 -5.07 105.19 106.44 2dle n GLY 4 Ca 0.11 0.11 -0.12 0.00 0.00 0.00 0.00 46.02 46.11 2dle n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2dle h SER 5 N 0.00 -0.00 -2.59 1.61 0.87 -2.08 -3.44 113.55 107.92 2dle h SER 5 Ca 0.00 -0.87 -0.55 0.00 -1.23 0.00 0.00 61.79 59.14 2dle h SER 5 Cb 0.00 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 2dle h SER 5 CO 0.00 0.92 1.15 -0.55 -0.53 0.00 0.00 176.83 177.82 2dle s SER 6 N -6.12 6.46 0.00 6.23 0.15 -1.26 -4.64 113.70 114.51 2dle s SER 6 Ca -0.17 2.06 0.00 0.00 0.70 0.00 0.00 55.95 58.55 2dle s SER 6 Cb -0.03 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.75 2dle s SER 6 CO 0.61 -1.12 0.00 0.61 1.20 0.00 0.00 173.24 174.53 2dle n GLY 7 N 4.47 -0.38 3.69 9.45 0.00 -1.26 -5.19 105.19 115.96 2dle n GLY 7 Ca 0.19 0.08 -0.02 0.00 0.00 0.00 0.00 46.02 46.27 2dle n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dle s ALA 8 N 0.00 -1.90 -0.46 4.61 0.00 -1.26 -5.12 121.76 117.63 2dle s ALA 8 Ca 0.00 0.41 -0.26 0.00 0.00 0.00 0.00 51.96 52.11 2dle s ALA 8 Cb 0.00 0.51 0.03 0.00 0.00 0.00 0.00 23.12 23.65 2dle s ALA 8 CO 0.00 -1.02 0.97 0.42 0.00 0.00 0.00 175.76 176.13 2dle s ILE 9 N -2.93 4.41 -0.00 0.00 1.01 -1.26 -4.87 121.20 117.56 2dle s ILE 9 Ca 0.13 0.87 0.05 0.00 0.00 0.00 0.00 60.65 61.70 2dle s ILE 9 Cb 0.01 -4.47 -0.02 0.00 0.01 0.00 0.00 42.46 37.99 2dle s ILE 9 CO -0.01 -0.87 -0.17 -1.58 0.00 0.00 0.00 174.94 172.31 2dle s GLN 10 N 3.91 1.34 -0.23 2.79 0.74 -1.26 -2.53 119.66 124.42 2dle s GLN 10 Ca 0.40 -0.66 -0.14 0.00 0.05 0.00 0.00 55.36 55.01 2dle s GLN 10 Cb -0.09 -1.32 -0.04 0.00 1.10 0.00 0.00 33.01 32.65 2dle s GLN 10 CO 0.27 0.36 0.31 0.08 -0.55 0.00 0.00 175.29 175.76 2dle s VAL 11 N -0.49 5.25 0.14 1.34 1.01 -1.23 -3.33 120.40 123.09 2dle s VAL 11 Ca 0.06 0.49 -0.02 0.00 0.00 0.00 0.00 61.98 62.52 2dle s VAL 11 Cb -0.07 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 2dle s VAL 11 CO -0.00 0.26 0.08 0.72 0.00 0.00 0.00 175.10 176.16 2dle s PHE 12 N 1.42 0.82 -0.69 5.22 -0.71 -0.79 -4.60 117.98 118.64 2dle s PHE 12 Ca 0.14 -1.19 0.00 0.00 -1.04 0.00 0.00 56.93 54.84 2dle s PHE 12 Cb -0.15 -0.44 0.00 0.00 -1.21 0.00 0.00 43.02 41.23 2dle s PHE 12 CO 0.07 -0.55 0.00 -3.47 -1.34 0.00 0.00 175.22 169.94 2dle n ASP 13 N -0.11 -3.05 -4.65 1.98 2.03 -1.26 0.08 116.55 111.57 2dle n ASP 13 Ca -0.05 0.03 -0.43 0.00 0.52 0.00 0.00 54.79 54.86 2dle n ASP 13 Cb 0.64 -2.13 -0.02 0.00 -0.72 0.00 0.00 41.12 38.88 2dle n ASP 13 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2dle s VAL 14 N -2.37 3.87 -0.02 5.18 1.01 -1.26 -4.28 120.40 122.53 2dle s VAL 14 Ca 0.00 1.02 -0.08 0.00 0.00 0.00 0.00 61.98 62.92 2dle s VAL 14 Cb 0.00 -3.76 0.01 0.00 0.00 0.00 0.00 36.38 32.63 2dle s VAL 14 CO 0.00 -0.20 0.19 -0.89 0.00 0.00 0.00 175.10 174.20 2dle s THR 15 N 4.29 0.06 -0.88 3.92 2.01 -0.65 -4.96 115.64 119.43 2dle s THR 15 Ca 0.66 -0.46 -0.25 0.00 0.31 0.00 0.00 61.69 61.95 2dle s THR 15 Cb -0.26 -0.42 0.03 0.00 0.01 0.00 0.00 72.50 71.86 2dle s THR 15 CO 0.25 -0.25 1.45 0.00 -0.69 0.00 0.00 174.62 175.37 2dle s ALA 16 N -0.95 2.61 0.54 7.40 0.00 -1.26 -2.61 121.76 127.50 2dle s ALA 16 Ca -0.10 -1.77 0.25 0.00 0.00 0.00 0.00 51.96 50.33 2dle s ALA 16 Cb -0.05 -4.42 1.41 0.00 0.00 0.00 0.00 23.12 20.06 2dle s ALA 16 CO 0.02 -3.60 2.02 -0.24 0.00 0.00 0.00 175.76 173.96 2dle h VAL 17 N 6.54 0.73 -1.89 0.00 3.04 -1.82 -3.42 116.25 119.43 2dle h VAL 17 Ca -0.02 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.67 2dle h VAL 17 Cb 1.03 0.78 -0.22 0.00 -2.01 0.00 0.00 31.29 30.87 2dle h VAL 17 CO 1.34 0.00 0.21 0.20 -1.01 0.00 0.00 177.57 178.31 2dle s ASN 18 N -6.25 -0.69 -0.19 3.17 0.02 -1.13 -4.99 114.94 104.89 2dle s ASN 18 Ca -0.05 1.30 -0.01 0.00 -1.02 0.00 0.00 52.86 53.07 2dle s ASN 18 Cb 0.19 1.31 0.05 0.00 0.02 0.00 0.00 41.25 42.82 2dle s ASN 18 CO 0.70 -0.22 -0.01 -0.63 0.02 0.00 0.00 177.10 176.95 2dle s ILE 19 N 0.50 0.90 0.30 0.60 1.01 -1.26 -0.57 121.20 122.67 2dle s ILE 19 Ca -0.01 -0.67 0.03 0.00 0.00 0.00 0.00 60.65 60.00 2dle s ILE 19 Cb -0.05 -1.23 0.03 0.00 0.01 0.00 0.00 42.46 41.22 2dle s ILE 19 CO -0.03 -0.06 0.26 -1.20 0.00 0.00 0.00 174.94 173.90 2dle n SER 20 N 4.93 1.80 0.09 3.58 7.64 0.28 -4.68 113.62 127.25 2dle n SER 20 Ca -0.10 -1.98 -0.10 0.00 1.01 0.00 0.00 58.87 57.70 2dle n SER 20 Cb 0.47 -0.06 -0.06 0.00 -1.01 0.00 0.00 64.21 63.55 2dle n SER 20 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2dle h ALA 21 N 0.64 -0.30 -0.56 -0.43 0.00 -1.94 -3.36 119.26 113.31 2dle h ALA 21 Ca -0.18 -0.19 -0.33 0.00 0.00 0.00 0.00 54.91 54.22 2dle h ALA 21 Cb 0.68 0.12 -0.19 0.00 0.00 0.00 0.00 17.79 18.39 2dle h ALA 21 CO 0.28 -0.35 0.03 0.25 0.00 0.00 0.00 179.25 179.46 2dle n THR 22 N -4.98 2.76 -3.60 0.00 -2.24 -1.26 -3.75 114.28 101.22 2dle n THR 22 Ca -0.07 -2.85 -0.05 0.00 -2.27 0.00 0.00 64.05 58.81 2dle n THR 22 Cb 0.24 -0.53 -0.03 0.00 -2.10 0.00 0.00 70.33 67.91 2dle n THR 22 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2dle s SER 23 N -2.43 -0.16 -0.29 3.42 1.04 -1.26 -2.13 113.70 111.88 2dle s SER 23 Ca 0.49 0.07 -0.14 0.00 0.48 0.00 0.00 55.95 56.86 2dle s SER 23 Cb 0.43 0.16 0.13 0.00 0.10 0.00 0.00 66.02 66.84 2dle s SER 23 CO 0.01 -0.23 0.81 -1.48 0.98 0.00 0.00 173.24 173.34 2dle s LEU 24 N -1.78 -0.83 -0.00 2.42 0.05 -1.18 0.10 118.68 117.45 2dle s LEU 24 Ca 0.07 1.20 -0.17 0.00 0.05 0.00 0.00 54.13 55.28 2dle s LEU 24 Cb -0.01 2.04 -0.06 0.00 -2.05 0.00 0.00 46.19 46.11 2dle s LEU 24 CO -0.05 -0.18 0.47 -0.89 -0.55 0.00 0.00 176.35 175.16 2dle s THR 25 N 2.22 4.97 0.25 5.48 2.01 0.26 -1.28 115.64 129.56 2dle s THR 25 Ca -0.06 0.98 0.11 0.00 0.31 0.00 0.00 61.69 63.03 2dle s THR 25 Cb -0.07 -3.79 -0.05 0.00 0.01 0.00 0.00 72.50 68.60 2dle s THR 25 CO -0.18 0.52 -0.13 -0.22 -0.69 0.00 0.00 174.62 173.92 2dle s LEU 26 N -0.71 2.81 -0.19 4.42 2.96 -0.97 -2.61 118.68 124.38 2dle s LEU 26 Ca 0.26 -0.82 -0.17 0.00 -0.22 0.00 0.00 54.13 53.17 2dle s LEU 26 Cb -0.17 -1.38 0.05 0.00 0.50 0.00 0.00 46.19 45.19 2dle s LEU 26 CO 0.14 0.05 0.51 0.27 -1.32 0.00 0.00 176.35 176.00 2dle s ILE 27 N -2.23 -0.00 0.08 6.68 -4.36 -1.07 -3.12 121.20 117.18 2dle s ILE 27 Ca 0.28 0.01 -0.06 0.00 -0.26 0.00 0.00 60.65 60.62 2dle s ILE 27 Cb -0.06 -0.72 -0.02 0.00 1.25 0.00 0.00 42.46 42.91 2dle s ILE 27 CO 0.16 0.00 0.12 -1.66 0.24 0.00 0.00 174.94 173.80 2dle s TRP 28 N 0.44 0.31 -0.19 1.37 -2.14 -1.01 -1.63 118.94 116.10 2dle s TRP 28 Ca -0.01 -0.78 -0.03 0.00 2.66 0.00 0.00 56.10 57.94 2dle s TRP 28 Cb -0.04 -0.18 -0.01 0.00 -3.10 0.00 0.00 33.47 30.14 2dle s TRP 28 CO -0.02 -0.50 -0.07 0.21 -2.66 0.00 0.00 176.95 173.91 2dle s LYS 29 N -3.90 3.43 0.16 3.25 2.20 0.11 -4.85 119.74 120.14 2dle s LYS 29 Ca 0.07 -0.62 -0.05 0.00 -0.36 0.00 0.00 55.97 55.01 2dle s LYS 29 Cb 0.06 -2.89 -0.06 0.00 -1.51 0.00 0.00 37.83 33.43 2dle s LYS 29 CO -0.09 -0.02 0.40 0.08 -0.36 0.00 0.00 175.35 175.35 2dle s VAL 30 N 1.00 5.14 -0.17 4.02 1.01 -1.26 -1.89 120.40 128.24 2dle s VAL 30 Ca -0.00 0.07 0.01 0.00 0.00 0.00 0.00 61.98 62.06 2dle s VAL 30 Cb -0.15 -3.63 0.23 0.00 0.00 0.00 0.00 36.38 32.83 2dle s VAL 30 CO -0.00 0.02 1.44 -1.54 0.00 0.00 0.00 175.10 175.01 2dle n SER 31 N 0.03 3.73 -3.61 3.32 3.41 -1.21 -4.72 113.62 114.56 2dle n SER 31 Ca -0.02 -2.63 -0.09 0.00 -0.26 0.00 0.00 58.87 55.88 2dle n SER 31 Cb 0.52 -0.69 -0.09 0.00 -0.26 0.00 0.00 64.21 63.68 2dle n SER 31 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2dle s ASP 32 N 0.25 -0.15 0.00 4.04 1.11 -1.26 -4.93 116.67 115.73 2dle s ASP 32 Ca 0.21 0.86 0.00 0.00 0.18 0.00 0.00 52.55 53.80 2dle s ASP 32 Cb 0.17 1.28 0.00 0.00 1.07 0.00 0.00 42.92 45.44 2dle s ASP 32 CO 0.03 -0.24 0.00 -0.46 1.18 0.00 0.00 175.17 175.68 2dle n ASN 33 N 5.38 3.01 0.27 0.27 0.23 -1.26 -4.44 115.26 118.73 2dle n ASN 33 Ca -0.08 -0.13 -0.11 0.00 -0.53 0.00 0.00 54.58 53.74 2dle n ASN 33 Cb 0.50 0.86 -0.05 0.00 -2.08 0.00 0.00 39.78 39.00 2dle n ASN 33 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 2dle h GLU 34 N 0.00 -0.68 -0.89 -3.83 5.08 -2.00 -3.27 114.58 108.99 2dle h GLU 34 Ca 0.00 0.05 -0.53 0.00 -1.00 0.00 0.00 59.36 57.87 2dle h GLU 34 Cb 0.00 0.15 -0.28 0.00 0.50 0.00 0.00 28.75 29.12 2dle h GLU 34 CO 0.00 -0.45 0.53 0.43 -1.00 0.00 0.00 179.01 178.51 2dle n SER 35 N -4.20 5.09 -1.84 1.42 7.64 -1.26 -4.73 113.62 115.74 2dle n SER 35 Ca -0.09 -3.71 -0.09 0.00 1.01 0.00 0.00 58.87 55.99 2dle n SER 35 Cb 0.28 -0.83 -0.07 0.00 -1.01 0.00 0.00 64.21 62.58 2dle n SER 35 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2dle n SER 36 N -1.03 5.51 -0.03 6.43 3.41 -1.24 -4.22 113.62 122.45 2dle n SER 36 Ca 0.56 -2.57 -0.03 0.00 -0.26 0.00 0.00 58.87 56.56 2dle n SER 36 Cb 1.17 -1.26 -0.01 0.00 -0.26 0.00 0.00 64.21 63.85 2dle n SER 36 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2dle n SER 37 N 1.76 0.72 -1.63 4.04 2.88 -1.26 -4.55 113.62 115.58 2dle n SER 37 Ca 0.26 0.14 -0.08 0.00 -1.33 0.00 0.00 58.87 57.85 2dle n SER 37 Cb 0.69 -0.59 0.02 0.00 -0.75 0.00 0.00 64.21 63.58 2dle n SER 37 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2dle n ASN 38 N -3.23 5.41 -4.72 -3.46 4.13 -1.26 -4.89 115.26 107.24 2dle n ASN 38 Ca -0.05 -2.68 -0.39 0.00 1.68 0.00 0.00 54.58 53.14 2dle n ASN 38 Cb 0.19 -1.00 -0.05 0.00 -1.54 0.00 0.00 39.78 37.38 2dle n ASN 38 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 2dle s TYR 39 N -0.92 3.55 0.31 3.10 1.51 -1.26 -4.41 117.35 119.23 2dle s TYR 39 Ca 0.16 1.06 0.09 0.00 -1.01 0.00 0.00 57.07 57.37 2dle s TYR 39 Cb 0.12 -2.66 -0.04 0.00 -0.11 0.00 0.00 41.96 39.27 2dle s TYR 39 CO 0.00 0.16 0.07 0.99 -1.11 0.00 0.00 175.55 175.66 2dle s THR 40 N 0.61 3.12 -0.17 -0.71 2.01 0.15 -4.22 115.64 116.44 2dle s THR 40 Ca 0.31 -1.81 -0.04 0.00 0.31 0.00 0.00 61.69 60.46 2dle s THR 40 Cb -0.16 -2.91 0.08 0.00 0.01 0.00 0.00 72.50 69.52 2dle s THR 40 CO 0.14 -0.25 0.28 -0.31 -0.69 0.00 0.00 174.62 173.79 2dle s TYR 41 N -2.40 -0.46 -0.45 4.92 2.02 0.19 -0.11 117.35 121.04 2dle s TYR 41 Ca 0.35 0.81 -0.16 0.00 -0.37 0.00 0.00 57.07 57.69 2dle s TYR 41 Cb -0.03 -0.09 0.05 0.00 -0.40 0.00 0.00 41.96 41.49 2dle s TYR 41 CO 0.21 -0.47 0.42 0.15 -1.57 0.00 0.00 175.55 174.29 2dle s LYS 42 N 2.43 3.03 -0.44 -0.62 1.02 -0.78 -1.98 119.74 122.38 2dle s LYS 42 Ca 0.04 -1.08 -0.23 0.00 0.02 0.00 0.00 55.97 54.72 2dle s LYS 42 Cb -0.13 -4.06 0.02 0.00 -0.52 0.00 0.00 37.83 33.14 2dle s LYS 42 CO -0.11 -0.96 0.77 0.42 -0.92 0.00 0.00 175.35 174.55 2dle s ILE 43 N 1.92 4.67 -0.47 2.17 1.09 -1.01 -2.57 121.20 126.99 2dle s ILE 43 Ca 0.08 0.42 -0.21 0.00 -1.10 0.00 0.00 60.65 59.84 2dle s ILE 43 Cb -0.21 -4.30 0.03 0.00 -1.06 0.00 0.00 42.46 36.92 2dle s ILE 43 CO 0.10 -0.69 0.71 -2.28 -0.10 0.00 0.00 174.94 172.67 2dle s HIS 44 N 3.23 3.01 -0.14 3.97 2.46 -0.71 -2.68 115.29 124.43 2dle s HIS 44 Ca 0.29 -0.13 -0.17 0.00 0.47 0.00 0.00 55.06 55.52 2dle s HIS 44 Cb -0.12 -3.55 -0.04 0.00 -0.13 0.00 0.00 32.58 28.73 2dle s HIS 44 CO 0.22 -1.00 0.42 0.08 -2.47 0.00 0.00 174.74 171.99 2dle s VAL 45 N 3.02 5.22 -0.24 0.89 1.01 -0.68 -2.51 120.40 127.10 2dle s VAL 45 Ca 0.23 0.83 0.01 0.00 0.00 0.00 0.00 61.98 63.05 2dle s VAL 45 Cb -0.15 -3.76 0.06 0.00 0.00 0.00 0.00 36.38 32.53 2dle s VAL 45 CO 0.18 0.34 -0.05 0.00 0.00 0.00 0.00 175.10 175.56 2dle s ALA 46 N 0.64 2.09 0.00 5.51 0.00 -1.03 -0.10 121.76 128.87 2dle s ALA 46 Ca 0.23 -1.48 0.00 0.00 0.00 0.00 0.00 51.96 50.71 2dle s ALA 46 Cb -0.14 -1.48 0.00 0.00 0.00 0.00 0.00 23.12 21.49 2dle s ALA 46 CO 0.08 -1.23 0.00 0.41 0.00 0.00 0.00 175.76 175.03 2dle n GLY 47 N 4.62 0.40 0.21 0.00 0.00 -0.93 -2.36 105.19 107.14 2dle n GLY 47 Ca -0.11 -0.04 -0.18 0.00 0.00 0.00 0.00 46.02 45.69 2dle n GLY 47 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2dle n GLU 48 N 0.00 0.47 0.00 1.61 -0.58 -1.26 -4.68 120.64 116.20 2dle n GLU 48 Ca 0.00 0.15 0.00 0.00 -0.42 0.00 0.00 57.16 56.89 2dle n GLU 48 Cb 0.00 -1.32 0.00 0.00 -0.57 0.00 0.00 31.44 29.55 2dle n GLU 48 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 2dle n THR 49 N -3.47 0.00 -2.74 2.62 -2.24 -1.26 -5.09 114.28 102.10 2dle n THR 49 Ca -0.38 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.19 2dle n THR 49 Cb 0.83 -0.40 0.06 0.00 -2.10 0.00 0.00 70.33 68.72 2dle n THR 49 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2dle s ASP 50 N -3.16 5.05 0.14 3.42 1.11 -1.26 -5.13 116.67 116.84 2dle s ASP 50 Ca 0.00 -0.30 -0.07 0.00 0.18 0.00 0.00 52.55 52.36 2dle s ASP 50 Cb 0.00 -0.42 -0.01 0.00 1.07 0.00 0.00 42.92 43.56 2dle s ASP 50 CO 0.00 -1.32 0.22 -0.94 1.18 0.00 0.00 175.17 174.31 2dle s SER 51 N -4.54 0.11 0.22 0.27 1.04 -1.26 -2.18 113.70 107.36 2dle s SER 51 Ca 0.60 -0.90 -0.02 0.00 0.48 0.00 0.00 55.95 56.11 2dle s SER 51 Cb -0.08 0.39 -0.03 0.00 0.10 0.00 0.00 66.02 66.40 2dle s SER 51 CO 0.39 -0.83 0.21 -0.55 0.98 0.00 0.00 173.24 173.44 2dle s SER 52 N -2.97 0.27 -0.01 7.02 0.15 0.86 -5.00 113.70 114.03 2dle s SER 52 Ca 0.16 -1.36 -0.13 0.00 0.70 0.00 0.00 55.95 55.32 2dle s SER 52 Cb 0.04 0.44 0.02 0.00 -1.71 0.00 0.00 66.02 64.81 2dle s SER 52 CO -0.02 -0.92 0.28 0.21 1.20 0.00 0.00 173.24 173.99 2dle s ASN 53 N -3.16 -0.15 0.07 5.45 3.84 -1.26 -1.69 114.94 118.05 2dle s ASN 53 Ca 0.36 0.01 -0.08 0.00 0.21 0.00 0.00 52.86 53.37 2dle s ASN 53 Cb 0.05 0.30 -0.01 0.00 -0.55 0.00 0.00 41.25 41.04 2dle s ASN 53 CO 0.13 -0.45 0.16 -1.48 -2.79 0.00 0.00 177.10 172.67 2dle s LEU 54 N -1.40 1.58 -0.07 3.21 2.34 -1.09 -5.00 118.68 118.24 2dle s LEU 54 Ca -0.13 -0.63 0.02 0.00 0.06 0.00 0.00 54.13 53.45 2dle s LEU 54 Cb -0.05 0.88 0.01 0.00 -0.56 0.00 0.00 46.19 46.47 2dle s LEU 54 CO 0.03 -0.66 -0.13 0.21 -1.06 0.00 0.00 176.35 174.74 2dle s ASN 55 N -2.67 1.93 0.04 1.48 2.47 -1.26 -2.41 114.94 114.53 2dle s ASN 55 Ca 0.03 -0.33 -0.03 0.00 0.42 0.00 0.00 52.86 52.95 2dle s ASN 55 Cb 0.04 -0.89 -0.02 0.00 -1.45 0.00 0.00 41.25 38.93 2dle s ASN 55 CO -0.09 0.04 0.03 0.68 -3.72 0.00 0.00 177.10 174.03 2dle s VAL 56 N 0.70 0.17 -0.28 -5.21 -7.23 -0.84 -4.98 120.40 102.74 2dle s VAL 56 Ca -0.14 -1.37 0.11 0.00 -1.81 0.00 0.00 61.98 58.77 2dle s VAL 56 Cb -0.16 -1.08 0.57 0.00 0.56 0.00 0.00 36.38 36.28 2dle s VAL 56 CO 0.03 -0.76 1.56 -1.54 -0.31 0.00 0.00 175.10 174.09 2dle n SER 57 N 0.57 3.49 -4.11 4.85 3.41 -1.26 0.53 113.62 121.09 2dle n SER 57 Ca -0.17 -3.42 -0.10 0.00 -0.26 0.00 0.00 58.87 54.92 2dle n SER 57 Cb 0.59 -0.65 -0.10 0.00 -0.26 0.00 0.00 64.21 63.79 2dle n SER 57 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 2dle s GLU 58 N -3.07 0.68 0.00 4.33 -1.05 -1.26 -4.73 118.70 113.59 2dle s GLU 58 Ca 0.47 -1.14 0.10 0.00 -0.15 0.00 0.00 54.97 54.24 2dle s GLU 58 Cb 0.40 -0.08 0.57 0.00 -0.44 0.00 0.00 34.13 34.58 2dle s GLU 58 CO 0.06 -0.03 1.01 -0.35 0.95 0.00 0.00 175.26 176.90 2dle n PRO 59 N 0.40 0.49 -4.25 -4.83 -0.04 -1.26 -4.69 135.00 120.81 2dle n PRO 59 Ca -0.15 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.10 2dle n PRO 59 Cb 0.59 -1.31 -0.12 0.00 -0.04 0.00 0.00 33.50 32.63 2dle n PRO 59 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 2dle s ARG 60 N -2.00 1.04 -0.29 0.54 1.70 -1.26 -2.41 118.95 116.27 2dle s ARG 60 Ca 0.14 -1.16 -0.14 0.00 -0.47 0.00 0.00 55.73 54.10 2dle s ARG 60 Cb 0.07 -1.12 0.13 0.00 -0.57 0.00 0.00 34.95 33.46 2dle s ARG 60 CO 0.11 0.24 0.85 0.00 -1.08 0.00 0.00 175.30 175.42 2dle s ALA 61 N -1.55 -2.26 -0.09 7.88 0.00 -1.18 -4.91 121.76 119.65 2dle s ALA 61 Ca 0.06 2.24 -0.09 0.00 0.00 0.00 0.00 51.96 54.17 2dle s ALA 61 Cb -0.08 -1.76 -0.04 0.00 0.00 0.00 0.00 23.12 21.23 2dle s ALA 61 CO 0.04 -0.65 0.21 0.54 0.00 0.00 0.00 175.76 175.90 2dle s VAL 62 N 2.06 5.38 -0.53 0.00 0.11 -1.26 -2.30 120.40 123.86 2dle s VAL 62 Ca -0.07 0.38 -0.13 0.00 -2.93 0.00 0.00 61.98 59.23 2dle s VAL 62 Cb -0.06 -3.49 0.13 0.00 -1.53 0.00 0.00 36.38 31.43 2dle s VAL 62 CO -0.18 0.61 0.45 -0.63 -3.33 0.00 0.00 175.10 172.02 2dle s ILE 63 N -1.01 4.84 1.18 7.04 -1.09 -0.40 -4.93 121.20 126.82 2dle s ILE 63 Ca 0.17 -1.67 -0.18 0.00 -2.23 0.00 0.00 60.65 56.74 2dle s ILE 63 Cb -0.13 -4.12 0.28 0.00 -1.58 0.00 0.00 42.46 36.90 2dle s ILE 63 CO 0.06 -0.84 1.11 -2.16 -1.23 0.00 0.00 174.94 171.88 2dle s PRO 64 N 1.43 -1.03 -0.72 2.79 0.04 -1.26 -3.12 135.00 133.12 2dle s PRO 64 Ca 0.05 0.00 -0.11 0.00 0.04 0.00 0.00 61.00 60.98 2dle s PRO 64 Cb -0.28 -1.61 0.02 0.00 0.04 0.00 0.00 34.50 32.67 2dle s PRO 64 CO 0.01 -3.60 0.46 0.41 0.04 0.00 0.00 177.00 174.32 2dle n GLY 65 N -0.97 -0.80 3.96 0.56 0.00 -0.91 -4.79 105.19 102.25 2dle n GLY 65 Ca 0.12 0.35 -0.19 0.00 0.00 0.00 0.00 46.02 46.30 2dle n GLY 65 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dle s LEU 66 N -5.30 3.74 -0.11 0.99 1.43 -1.15 -4.96 118.68 113.31 2dle s LEU 66 Ca 0.16 -0.38 -0.06 0.00 -1.03 0.00 0.00 54.13 52.82 2dle s LEU 66 Cb -0.09 -2.55 -0.04 0.00 0.03 0.00 0.00 46.19 43.55 2dle s LEU 66 CO 0.67 -0.54 0.10 -0.60 0.23 0.00 0.00 176.35 176.21 2dle s ARG 67 N -4.19 3.34 0.23 1.70 3.52 -1.25 -4.24 118.95 118.06 2dle s ARG 67 Ca 0.48 -0.21 -0.11 0.00 -0.13 0.00 0.00 55.73 55.76 2dle s ARG 67 Cb -0.08 -3.09 -0.07 0.00 -1.56 0.00 0.00 34.95 30.14 2dle s ARG 67 CO 0.30 0.75 0.58 -1.54 -0.81 0.00 0.00 175.30 174.59 2dle s SER 68 N -0.96 6.69 -1.32 -2.12 1.04 -1.25 -4.24 113.70 111.55 2dle s SER 68 Ca 0.14 1.01 -0.02 0.00 0.48 0.00 0.00 55.95 57.57 2dle s SER 68 Cb -0.12 -2.26 0.01 0.00 0.10 0.00 0.00 66.02 63.75 2dle s SER 68 CO 0.03 -0.07 0.79 -1.20 0.98 0.00 0.00 173.24 173.78 2dle n SER 69 N -0.02 -1.87 -3.79 7.02 7.64 -1.17 -4.92 113.62 116.50 2dle n SER 69 Ca 0.00 -0.78 -0.13 0.00 1.01 0.00 0.00 58.87 58.98 2dle n SER 69 Cb 0.52 -4.22 -0.11 0.00 -1.01 0.00 0.00 64.21 59.40 2dle n SER 69 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2dle s THR 70 N -3.57 0.01 0.45 0.44 2.01 -1.26 -5.03 115.64 108.69 2dle s THR 70 Ca 0.10 -0.12 -0.22 0.00 0.31 0.00 0.00 61.69 61.75 2dle s THR 70 Cb -0.05 -0.42 -0.08 0.00 0.01 0.00 0.00 72.50 71.96 2dle s THR 70 CO 0.80 -0.07 1.06 0.12 -0.69 0.00 0.00 174.62 175.84 2dle s PHE 71 N -0.18 3.09 0.02 4.92 5.36 -1.26 -3.79 117.98 126.13 2dle s PHE 71 Ca -0.03 1.60 -0.05 0.00 -0.96 0.00 0.00 56.93 57.49 2dle s PHE 71 Cb -0.03 -3.13 -0.01 0.00 -0.34 0.00 0.00 43.02 39.51 2dle s PHE 71 CO 0.01 -0.83 0.09 0.71 -1.46 0.00 0.00 175.22 173.74 2dle s TYR 72 N -1.79 0.14 -0.27 10.12 2.02 -1.21 -4.54 117.35 121.81 2dle s TYR 72 Ca 0.63 -0.34 0.00 0.00 -0.37 0.00 0.00 57.07 56.99 2dle s TYR 72 Cb -0.20 -0.11 0.08 0.00 -0.40 0.00 0.00 41.96 41.33 2dle s TYR 72 CO 0.25 -0.30 0.04 -0.80 -1.57 0.00 0.00 175.55 173.17 2dle s ASN 73 N -1.67 3.92 -0.00 2.29 0.01 -0.99 -3.47 114.94 115.03 2dle s ASN 73 Ca -0.12 -1.45 -0.11 0.00 -0.71 0.00 0.00 52.86 50.47 2dle s ASN 73 Cb -0.06 -1.03 -0.05 0.00 0.41 0.00 0.00 41.25 40.52 2dle s ASN 73 CO -0.01 -0.34 0.34 -0.63 -1.51 0.00 0.00 177.10 174.95 2dle s ILE 74 N 1.48 5.17 -0.19 0.60 1.01 -1.25 -2.45 121.20 125.58 2dle s ILE 74 Ca 0.04 0.55 -0.03 0.00 0.00 0.00 0.00 60.65 61.21 2dle s ILE 74 Cb -0.18 -3.62 0.06 0.00 0.01 0.00 0.00 42.46 38.73 2dle s ILE 74 CO -0.14 0.50 0.04 -0.89 0.00 0.00 0.00 174.94 174.44 2dle s THR 75 N -1.17 0.50 -0.45 2.92 2.01 -1.05 -3.01 115.64 115.39 2dle s THR 75 Ca 0.25 -0.51 -0.20 0.00 0.31 0.00 0.00 61.69 61.54 2dle s THR 75 Cb -0.15 -0.99 0.03 0.00 0.01 0.00 0.00 72.50 71.40 2dle s THR 75 CO 0.13 -0.19 0.63 -0.69 -0.69 0.00 0.00 174.62 173.81 2dle s VAL 76 N 1.87 4.84 -0.34 3.82 1.01 -0.56 -1.73 120.40 129.31 2dle s VAL 76 Ca -0.01 -0.00 -0.06 0.00 0.00 0.00 0.00 61.98 61.91 2dle s VAL 76 Cb -0.17 -4.21 0.05 0.00 0.00 0.00 0.00 36.38 32.05 2dle s VAL 76 CO -0.08 -0.62 0.11 0.00 0.00 0.00 0.00 175.10 174.51 2dle s PRO 78 N 1.38 4.39 -0.16 0.00 0.04 -1.26 -1.87 135.00 137.51 2dle s PRO 78 Ca -0.01 2.04 -0.05 0.00 0.04 0.00 0.00 61.00 63.02 2dle s PRO 78 Cb -0.20 -3.20 0.06 0.00 0.04 0.00 0.00 34.50 31.20 2dle s PRO 78 CO 0.02 -0.26 0.10 0.08 0.04 0.00 0.00 177.00 176.99 2dle s VAL 79 N 0.18 -0.12 0.10 -0.36 1.01 0.84 -2.42 120.40 119.63 2dle s VAL 79 Ca 0.57 -0.11 -0.01 0.00 0.00 0.00 0.00 61.98 62.43 2dle s VAL 79 Cb -0.36 -0.55 -0.24 0.00 0.00 0.00 0.00 36.38 35.22 2dle s VAL 79 CO 0.37 -0.24 1.21 0.25 0.00 0.00 0.00 175.10 176.70 2dle h LEU 80 N 8.41 0.31 0.00 3.92 6.46 -1.77 0.44 115.31 133.08 2dle h LEU 80 Ca -0.15 -0.31 0.00 0.00 -0.12 0.00 0.00 57.88 57.30 2dle h LEU 80 Cb 1.15 -0.10 0.00 0.00 -0.73 0.00 0.00 40.66 40.98 2dle h LEU 80 CO 0.28 1.22 0.00 0.61 -0.62 0.00 0.00 178.44 179.93 2dle n GLY 81 N 1.37 -1.32 0.15 3.75 0.00 -1.26 -4.65 105.19 103.23 2dle n GLY 81 Ca -0.06 0.50 0.03 0.00 0.00 0.00 0.00 46.02 46.49 2dle n GLY 81 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2dle n ASP 82 N 0.00 1.25 -4.17 1.61 8.00 -1.26 -5.05 116.55 116.93 2dle n ASP 82 Ca 0.00 -2.17 -0.24 0.00 0.71 0.00 0.00 54.79 53.09 2dle n ASP 82 Cb 0.00 -0.19 -0.15 0.00 -0.02 0.00 0.00 41.12 40.76 2dle n ASP 82 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2dle s ILE 83 N -1.18 1.35 -0.17 0.53 1.01 -1.26 -5.13 121.20 116.34 2dle s ILE 83 Ca 0.10 -0.85 -0.00 0.00 0.00 0.00 0.00 60.65 59.90 2dle s ILE 83 Cb 0.09 -1.15 0.00 0.00 0.01 0.00 0.00 42.46 41.42 2dle s ILE 83 CO 0.01 0.28 -0.14 -1.61 0.00 0.00 0.00 174.94 173.49 2dle s GLU 84 N -0.65 3.21 0.00 2.79 2.02 -1.26 -3.73 118.70 121.08 2dle s GLU 84 Ca 0.06 -0.74 0.00 0.00 0.02 0.00 0.00 54.97 54.31 2dle s GLU 84 Cb -0.07 -2.69 0.00 0.00 0.10 0.00 0.00 34.13 31.47 2dle s GLU 84 CO 0.00 -0.06 0.00 0.41 0.02 0.00 0.00 175.26 175.63 2dle n GLY 85 N 4.28 0.55 3.67 -1.39 0.00 -1.02 -5.00 105.19 106.30 2dle n GLY 85 Ca -0.19 -1.88 -0.42 0.00 0.00 0.00 0.00 46.02 43.54 2dle n GLY 85 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dle s THR 86 N 0.54 4.87 -0.02 2.61 2.01 -1.05 -4.75 115.64 119.84 2dle s THR 86 Ca 0.00 1.70 -0.30 0.00 0.31 0.00 0.00 61.69 63.40 2dle s THR 86 Cb 0.00 -4.17 -0.05 0.00 0.01 0.00 0.00 72.50 68.29 2dle s THR 86 CO 0.00 0.03 1.47 -2.16 -0.69 0.00 0.00 174.62 173.27 2dle s PRO 87 N 2.09 4.24 -0.35 4.92 0.04 -1.26 -3.48 135.00 141.22 2dle s PRO 87 Ca 0.40 2.02 -0.23 0.00 0.04 0.00 0.00 61.00 63.23 2dle s PRO 87 Cb -0.17 -3.69 0.01 0.00 0.04 0.00 0.00 34.50 30.69 2dle s PRO 87 CO 0.13 -0.67 0.79 0.20 0.04 0.00 0.00 177.00 177.49 2dle s GLY 88 N 2.27 1.67 0.01 0.56 0.00 0.21 -4.82 107.32 107.22 2dle s GLY 88 Ca 0.66 -0.58 -0.07 0.00 0.00 0.00 0.00 44.72 44.74 2dle s GLY 88 CO 0.26 1.76 0.27 -1.36 0.00 0.00 0.00 173.10 174.03 2dle s PHE 89 N 3.06 3.58 -0.24 1.90 0.40 -1.26 -1.50 117.98 123.92 2dle s PHE 89 Ca 0.32 0.58 -0.09 0.00 -0.60 0.00 0.00 56.93 57.14 2dle s PHE 89 Cb -0.13 -1.99 0.10 0.00 0.51 0.00 0.00 43.02 41.50 2dle s PHE 89 CO 0.16 0.61 0.51 -1.17 0.70 0.00 0.00 175.22 176.03 2dle s LEU 90 N -1.77 -0.79 0.14 -0.37 2.96 -1.16 -4.98 118.68 112.70 2dle s LEU 90 Ca 0.28 1.22 -0.30 0.00 -0.22 0.00 0.00 54.13 55.11 2dle s LEU 90 Cb -0.13 1.74 -0.07 0.00 0.50 0.00 0.00 46.19 48.24 2dle s LEU 90 CO 0.16 -0.23 1.07 -1.10 -1.32 0.00 0.00 176.35 174.94 2dle s GLN 91 N 2.54 4.60 0.10 1.98 -0.21 -1.26 -3.74 119.66 123.66 2dle s GLN 91 Ca -0.04 1.64 0.04 0.00 0.02 0.00 0.00 55.36 57.02 2dle s GLN 91 Cb -0.11 -3.32 -0.04 0.00 1.00 0.00 0.00 33.01 30.54 2dle s GLN 91 CO -0.15 0.06 -0.11 0.14 -2.12 0.00 0.00 175.29 173.10 2dle s VAL 92 N 0.06 1.01 -0.19 1.09 -7.23 -1.23 -5.00 120.40 108.92 2dle s VAL 92 Ca 0.50 -1.60 -0.04 0.00 -1.81 0.00 0.00 61.98 59.03 2dle s VAL 92 Cb -0.27 -1.34 0.06 0.00 0.56 0.00 0.00 36.38 35.39 2dle s VAL 92 CO 0.32 -0.50 0.05 -2.28 -0.31 0.00 0.00 175.10 172.39 2dle s HIS 93 N -2.25 0.75 0.38 2.82 2.46 -1.26 -3.34 115.29 114.85 2dle s HIS 93 Ca 0.05 -0.68 -0.27 0.00 0.47 0.00 0.00 55.06 54.63 2dle s HIS 93 Cb -0.04 -0.92 -0.09 0.00 -0.13 0.00 0.00 32.58 31.40 2dle s HIS 93 CO 0.01 -0.58 1.33 0.95 -2.47 0.00 0.00 174.74 173.98 2dle s THR 94 N 1.95 2.56 0.50 0.89 -4.23 -1.25 -4.98 115.64 111.08 2dle s THR 94 Ca 0.00 0.53 -0.21 0.00 -1.18 0.00 0.00 61.69 60.82 2dle s THR 94 Cb -0.17 -3.32 -0.07 0.00 1.34 0.00 0.00 72.50 70.29 2dle s THR 94 CO -0.09 0.10 1.15 -2.16 -0.54 0.00 0.00 174.62 173.08 2dle s PRO 95 N -2.12 3.57 -0.09 3.99 0.04 -1.26 -3.07 135.00 136.06 2dle s PRO 95 Ca 0.54 1.70 -0.30 0.00 0.04 0.00 0.00 61.00 62.99 2dle s PRO 95 Cb -0.40 -2.22 -0.04 0.00 0.04 0.00 0.00 34.50 31.88 2dle s PRO 95 CO 0.52 -0.69 1.52 -1.25 0.04 0.00 0.00 177.00 177.14 2dle s PRO 96 N -2.97 4.20 0.20 0.56 0.04 -1.26 -3.62 135.00 132.16 2dle s PRO 96 Ca 0.68 2.01 -0.32 0.00 0.04 0.00 0.00 61.00 63.41 2dle s PRO 96 Cb -0.26 -3.91 -0.15 0.00 0.04 0.00 0.00 34.50 30.22 2dle s PRO 96 CO 0.31 -0.80 1.14 0.28 0.04 0.00 0.00 177.00 177.98 2dle n VAL 97 N 5.44 1.13 -2.22 -0.36 0.31 -1.26 -4.89 118.33 116.48 2dle n VAL 97 Ca 0.16 -0.28 -0.42 0.00 -0.01 0.00 0.00 64.34 63.79 2dle n VAL 97 Cb 0.43 -0.91 -0.03 0.00 -0.91 0.00 0.00 33.84 32.42 2dle n VAL 97 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2dle s PRO 98 N -0.62 4.37 -0.00 5.55 0.04 -1.26 -5.03 135.00 138.04 2dle s PRO 98 Ca 0.70 2.04 -0.00 0.00 0.04 0.00 0.00 61.00 63.78 2dle s PRO 98 Cb -0.81 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 30.52 2dle s PRO 98 CO 0.54 -0.31 0.00 -1.12 0.04 0.00 0.00 177.00 176.15 2dle s SER 99 N 0.62 0.01 0.00 6.66 0.01 -1.26 -5.13 113.70 114.61 2dle s SER 99 Ca 0.59 0.01 0.00 0.00 1.31 0.00 0.00 55.95 57.86 2dle s SER 99 Cb -0.36 -0.01 0.00 0.00 0.21 0.00 0.00 66.02 65.86 2dle s SER 99 CO 0.35 -0.02 0.00 0.61 0.41 0.00 0.00 173.24 174.59 2dle n GLY 100 N 3.22 4.13 2.70 3.44 0.00 -1.26 -5.13 105.19 112.28 2dle n GLY 100 Ca -0.14 -1.39 -0.23 0.00 0.00 0.00 0.00 46.02 44.26 2dle n GLY 100 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dle n PRO 101 N -1.29 -2.66 -3.61 1.61 -0.04 -1.26 -5.10 135.00 122.65 2dle n PRO 101 Ca 0.00 -1.35 -0.02 0.00 -0.04 0.00 0.00 63.50 62.09 2dle n PRO 101 Cb 0.00 -1.26 -0.01 0.00 -0.04 0.00 0.00 33.50 32.19 2dle n PRO 101 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2dle s SER 102 N -3.78 -0.13 -1.27 3.54 1.04 -1.26 -5.00 113.70 106.85 2dle s SER 102 Ca 0.55 -0.09 -0.06 0.00 0.48 0.00 0.00 55.95 56.82 2dle s SER 102 Cb -0.05 0.20 0.01 0.00 0.10 0.00 0.00 66.02 66.28 2dle s SER 102 CO 0.42 -0.36 1.10 -1.20 0.98 0.00 0.00 173.24 174.18 2dle n SER 103 N -0.30 -5.03 0.00 7.02 7.64 -1.26 -5.35 113.62 116.33 2dle n SER 103 Ca -0.05 -0.55 0.00 0.00 1.01 0.00 0.00 58.87 59.29 2dle n SER 103 Cb 0.61 -4.92 0.00 0.00 -1.01 0.00 0.00 64.21 58.89 2dle n SER 103 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64