#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 -0.07 0.48 1.61 1.04 -1.26 -5.19 113.70 110.32 2dle s SER 2 Ca 0.00 -0.97 0.03 0.00 0.48 0.00 0.00 55.95 55.50 2dle s SER 2 Cb 0.00 0.57 -0.03 0.00 0.10 0.00 0.00 66.02 66.66 2dle s SER 2 CO 0.00 -1.11 0.06 -0.94 0.98 0.00 0.00 173.24 172.23 2dle s SER 3 N -3.03 4.15 0.00 7.02 1.04 -1.26 -5.10 113.70 116.52 2dle s SER 3 Ca 0.24 -1.50 0.00 0.00 0.48 0.00 0.00 55.95 55.17 2dle s SER 3 Cb 0.00 0.22 0.00 0.00 0.10 0.00 0.00 66.02 66.34 2dle s SER 3 CO 0.09 -0.76 0.00 0.61 0.98 0.00 0.00 173.24 174.16 2dle n GLY 4 N -1.25 -0.46 1.03 7.32 0.00 -1.26 -5.06 105.19 105.52 2dle n GLY 4 Ca -0.13 0.61 0.00 0.00 0.00 0.00 0.00 46.02 46.50 2dle n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dle n SER 5 N 0.00 0.33 -3.57 1.61 7.64 -1.26 -5.13 113.62 113.24 2dle n SER 5 Ca 0.00 0.04 -0.08 0.00 1.01 0.00 0.00 58.87 59.85 2dle n SER 5 Cb 0.00 -0.10 -0.04 0.00 -1.01 0.00 0.00 64.21 63.07 2dle n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dle s SER 6 N -5.29 -0.29 -0.45 6.43 0.01 -1.26 -5.10 113.70 107.74 2dle s SER 6 Ca 0.00 0.19 0.07 0.00 1.31 0.00 0.00 55.95 57.51 2dle s SER 6 Cb 0.00 0.26 0.32 0.00 0.21 0.00 0.00 66.02 66.82 2dle s SER 6 CO 0.00 -0.36 1.10 0.61 0.41 0.00 0.00 173.24 175.01 2dle n GLY 7 N 0.31 0.82 2.77 3.44 0.00 -1.26 -5.12 105.19 106.15 2dle n GLY 7 Ca -0.07 -0.10 -0.16 0.00 0.00 0.00 0.00 46.02 45.70 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 0.09 0.06 -0.45 4.61 0.00 -1.26 -5.10 121.76 119.72 2dle s ALA 8 Ca 0.23 0.34 -0.44 0.00 0.00 0.00 0.00 51.96 52.09 2dle s ALA 8 Cb 0.30 -0.35 -0.18 0.00 0.00 0.00 0.00 23.12 22.89 2dle s ALA 8 CO -0.05 -0.19 1.79 -0.89 0.00 0.00 0.00 175.76 176.42 2dle n ILE 9 N 4.40 0.07 -3.87 0.00 5.41 -1.26 -4.83 119.36 119.29 2dle n ILE 9 Ca -0.23 -0.03 -0.25 0.00 1.00 0.00 0.00 62.75 63.24 2dle n ILE 9 Cb 0.50 -0.71 -0.17 0.00 -0.71 0.00 0.00 39.64 38.55 2dle n ILE 9 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 176.55 174.97 2dle s GLN 10 N 4.01 1.21 -0.20 0.38 0.74 -1.26 -1.81 119.66 122.73 2dle s GLN 10 Ca 1.08 -0.13 -0.24 0.00 0.05 0.00 0.00 55.36 56.12 2dle s GLN 10 Cb -1.38 -1.37 -0.01 0.00 1.10 0.00 0.00 33.01 31.35 2dle s GLN 10 CO 0.73 -0.28 0.79 0.08 -0.55 0.00 0.00 175.29 176.07 2dle s VAL 11 N 1.79 4.89 0.20 1.34 1.01 -1.22 -3.46 120.40 124.95 2dle s VAL 11 Ca 0.05 1.52 0.01 0.00 0.00 0.00 0.00 61.98 63.56 2dle s VAL 11 Cb -0.12 -4.09 -0.05 0.00 0.00 0.00 0.00 36.38 32.12 2dle s VAL 11 CO -0.07 0.00 0.05 0.72 0.00 0.00 0.00 175.10 175.81 2dle s PHE 12 N 2.39 1.29 -0.57 5.22 -0.71 -0.13 -4.49 117.98 120.97 2dle s PHE 12 Ca 0.35 -1.13 0.00 0.00 -1.04 0.00 0.00 56.93 55.11 2dle s PHE 12 Cb -0.16 -0.74 0.00 0.00 -1.21 0.00 0.00 43.02 40.92 2dle s PHE 12 CO 0.10 -0.33 0.00 -3.47 -1.34 0.00 0.00 175.22 170.18 2dle n ASP 13 N -0.31 -2.64 -4.66 1.98 2.03 -1.26 0.28 116.55 111.97 2dle n ASP 13 Ca -0.03 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.86 2dle n ASP 13 Cb 0.65 -1.90 -0.02 0.00 -0.72 0.00 0.00 41.12 39.12 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 -2.32 3.95 0.09 5.18 1.01 -1.26 -3.98 120.40 123.07 2dle s VAL 14 Ca 0.00 1.14 -0.11 0.00 0.00 0.00 0.00 61.98 63.01 2dle s VAL 14 Cb 0.00 -3.78 0.01 0.00 0.00 0.00 0.00 36.38 32.61 2dle s VAL 14 CO 0.00 -0.14 0.26 -0.89 0.00 0.00 0.00 175.10 174.32 2dle s THR 15 N 3.93 0.12 -0.40 3.92 2.01 -0.15 -4.94 115.64 120.13 2dle s THR 15 Ca 0.63 -0.97 -0.16 0.00 0.31 0.00 0.00 61.69 61.51 2dle s THR 15 Cb -0.26 -1.25 0.01 0.00 0.01 0.00 0.00 72.50 71.01 2dle s THR 15 CO 0.22 -0.53 0.37 0.00 -0.69 0.00 0.00 174.62 173.99 2dle s ALA 16 N -3.73 3.46 0.27 7.40 0.00 -1.26 -1.34 121.76 126.56 2dle s ALA 16 Ca 0.03 -1.52 0.03 0.00 0.00 0.00 0.00 51.96 50.51 2dle s ALA 16 Cb 0.03 -2.94 0.38 0.00 0.00 0.00 0.00 23.12 20.60 2dle s ALA 16 CO -0.11 -1.42 1.68 -0.39 0.00 0.00 0.00 175.76 175.52 2dle h VAL 17 N 5.65 1.29 -2.62 0.00 -1.51 -1.87 -3.44 116.25 113.75 2dle h VAL 17 Ca -0.27 -1.46 -0.11 0.00 -1.23 0.00 0.00 66.70 63.62 2dle h VAL 17 Cb 1.12 1.56 -0.26 0.00 -2.13 0.00 0.00 31.29 31.58 2dle h VAL 17 CO 0.75 0.45 -0.27 0.21 -1.23 0.00 0.00 177.57 177.47 2dle s ASN 18 N -6.85 -0.53 -0.26 4.19 3.84 -1.24 -5.02 114.94 109.06 2dle s ASN 18 Ca -0.06 0.92 0.01 0.00 0.21 0.00 0.00 52.86 53.94 2dle s ASN 18 Cb 0.13 0.81 0.07 0.00 -0.55 0.00 0.00 41.25 41.71 2dle s ASN 18 CO 0.79 -0.19 -0.02 -0.63 -2.79 0.00 0.00 177.10 174.26 2dle s ILE 19 N 1.26 1.56 0.38 -5.21 1.01 -1.26 -0.21 121.20 118.73 2dle s ILE 19 Ca -0.08 -1.42 0.04 0.00 0.00 0.00 0.00 60.65 59.19 2dle s ILE 19 Cb -0.08 -1.92 0.07 0.00 0.01 0.00 0.00 42.46 40.55 2dle s ILE 19 CO -0.11 -0.25 0.53 -1.20 0.00 0.00 0.00 174.94 173.90 2dle n SER 20 N 4.63 1.16 -0.03 3.58 7.64 0.37 -4.74 113.62 126.23 2dle n SER 20 Ca -0.08 -1.88 -0.13 0.00 1.01 0.00 0.00 58.87 57.79 2dle n SER 20 Cb 0.43 -0.30 -0.11 0.00 -1.01 0.00 0.00 64.21 63.23 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 0.03 -0.03 -0.37 -0.43 0.00 -1.93 -3.35 119.26 113.18 2dle h ALA 21 Ca -0.18 -0.34 -0.20 0.00 0.00 0.00 0.00 54.91 54.20 2dle h ALA 21 Cb 0.76 0.01 -0.12 0.00 0.00 0.00 0.00 17.79 18.45 2dle h ALA 21 CO 0.23 -0.16 -0.09 0.25 0.00 0.00 0.00 179.25 179.48 2dle n THR 22 N -4.77 2.58 -3.60 0.00 -2.24 -1.26 -3.58 114.28 101.41 2dle n THR 22 Ca -0.09 -2.81 -0.05 0.00 -2.27 0.00 0.00 64.05 58.84 2dle n THR 22 Cb 0.34 -0.35 -0.03 0.00 -2.10 0.00 0.00 70.33 68.19 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 -2.56 -0.15 -0.28 3.42 1.04 -1.26 -2.44 113.70 111.47 2dle s SER 23 Ca 0.45 0.07 -0.18 0.00 0.48 0.00 0.00 55.95 56.78 2dle s SER 23 Cb 0.41 0.14 0.11 0.00 0.10 0.00 0.00 66.02 66.78 2dle s SER 23 CO -0.00 -0.20 0.84 -1.48 0.98 0.00 0.00 173.24 173.37 2dle s LEU 24 N -1.71 -0.71 -0.21 2.42 0.05 -1.17 0.14 118.68 117.48 2dle s LEU 24 Ca 0.07 1.17 -0.15 0.00 0.05 0.00 0.00 54.13 55.28 2dle s LEU 24 Cb -0.01 2.10 -0.04 0.00 -2.05 0.00 0.00 46.19 46.19 2dle s LEU 24 CO -0.05 -0.19 0.36 -0.89 -0.55 0.00 0.00 176.35 175.03 2dle s THR 25 N 1.27 5.23 -0.02 5.48 2.01 0.71 -0.76 115.64 129.56 2dle s THR 25 Ca -0.07 0.62 -0.00 0.00 0.31 0.00 0.00 61.69 62.54 2dle s THR 25 Cb -0.04 -3.69 -0.04 0.00 0.01 0.00 0.00 72.50 68.74 2dle s THR 25 CO -0.15 0.27 0.06 -0.22 -0.69 0.00 0.00 174.62 173.90 2dle s LEU 26 N 1.24 3.83 0.04 4.42 2.96 -0.72 -2.76 118.68 127.69 2dle s LEU 26 Ca 0.17 0.13 -0.00 0.00 -0.22 0.00 0.00 54.13 54.21 2dle s LEU 26 Cb -0.14 -2.18 -0.03 0.00 0.50 0.00 0.00 46.19 44.33 2dle s LEU 26 CO 0.07 0.29 -0.03 0.27 -1.32 0.00 0.00 176.35 175.63 2dle s ILE 27 N -1.14 0.22 0.04 6.68 -4.36 -0.45 -1.79 121.20 120.39 2dle s ILE 27 Ca 0.21 -1.53 -0.27 0.00 -0.26 0.00 0.00 60.65 58.80 2dle s ILE 27 Cb -0.12 -1.13 0.07 0.00 1.25 0.00 0.00 42.46 42.53 2dle s ILE 27 CO 0.12 -0.83 0.67 -1.66 0.24 0.00 0.00 174.94 173.48 2dle s TRP 28 N -3.11 -0.58 -0.16 1.37 -2.14 -0.94 -0.97 118.94 112.40 2dle s TRP 28 Ca 0.00 0.72 -0.04 0.00 2.66 0.00 0.00 56.10 59.44 2dle s TRP 28 Cb 0.02 0.48 -0.03 0.00 -3.10 0.00 0.00 33.47 30.85 2dle s TRP 28 CO -0.07 -0.70 -0.03 0.21 -2.66 0.00 0.00 176.95 173.70 2dle s LYS 29 N -2.38 3.66 -0.01 3.25 2.20 0.14 -4.83 119.74 121.77 2dle s LYS 29 Ca -0.05 -0.52 -0.06 0.00 -0.36 0.00 0.00 55.97 54.98 2dle s LYS 29 Cb -0.01 -2.94 -0.05 0.00 -1.51 0.00 0.00 37.83 33.33 2dle s LYS 29 CO -0.01 0.20 0.24 0.08 -0.36 0.00 0.00 175.35 175.50 2dle s VAL 30 N 0.46 5.34 -0.87 4.02 1.01 -1.26 -0.96 120.40 128.15 2dle s VAL 30 Ca -0.03 0.13 -0.19 0.00 0.00 0.00 0.00 61.98 61.88 2dle s VAL 30 Cb -0.14 -3.55 -0.22 0.00 0.00 0.00 0.00 36.38 32.47 2dle s VAL 30 CO 0.03 0.39 2.32 -1.20 0.00 0.00 0.00 175.10 176.64 2dle n SER 31 N 1.19 0.45 -3.10 3.32 7.64 -1.22 -4.80 113.62 117.09 2dle n SER 31 Ca -0.12 -0.98 -0.33 0.00 1.01 0.00 0.00 58.87 58.45 2dle n SER 31 Cb 0.53 -1.17 -0.02 0.00 -1.01 0.00 0.00 64.21 62.54 2dle n SER 31 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2dle n ASP 32 N 12.89 -1.04 -3.64 6.43 2.03 -1.26 -4.94 116.55 127.03 2dle n ASP 32 Ca 0.56 0.77 -0.00 0.00 0.52 0.00 0.00 54.79 56.64 2dle n ASP 32 Cb 0.30 -0.67 0.00 0.00 -0.72 0.00 0.00 41.12 40.04 2dle n ASP 32 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 2dle s ASN 33 N -0.71 -0.05 0.22 1.67 3.04 -1.26 -5.03 114.94 112.83 2dle s ASN 33 Ca 0.45 -0.31 0.23 0.00 0.04 0.00 0.00 52.86 53.27 2dle s ASN 33 Cb -0.63 0.28 0.16 0.00 -1.54 0.00 0.00 41.25 39.53 2dle s ASN 33 CO 0.40 -0.55 1.23 1.05 -3.04 0.00 0.00 177.10 176.19 2dle h GLU 34 N 2.00 0.00 -0.06 0.43 4.11 -2.04 -3.32 114.58 115.70 2dle h GLU 34 Ca -0.27 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 59.01 2dle h GLU 34 Cb 1.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 2dle h GLU 34 CO 0.30 0.00 -0.62 0.77 0.07 0.00 0.00 179.01 179.53 2dle h SER 35 N 0.00 0.24 -0.35 3.06 0.02 -1.97 -3.43 113.55 111.12 2dle h SER 35 Ca 0.00 -0.14 -0.45 0.00 -0.84 0.00 0.00 61.79 60.36 2dle h SER 35 Cb 0.93 -0.07 -0.07 0.00 0.14 0.00 0.00 62.40 63.33 2dle h SER 35 CO 0.00 0.80 1.69 -1.54 -1.14 0.00 0.00 176.83 176.64 2dle n SER 36 N -3.86 0.55 0.00 3.07 3.41 -1.25 -4.54 113.62 111.00 2dle n SER 36 Ca -0.02 -0.14 0.00 0.00 -0.26 0.00 0.00 58.87 58.45 2dle n SER 36 Cb 0.62 -1.04 0.00 0.00 -0.26 0.00 0.00 64.21 63.53 2dle n SER 36 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2dle n SER 37 N 11.36 0.00 -1.71 4.04 7.64 -1.26 -4.91 113.62 128.78 2dle n SER 37 Ca 0.59 0.00 -0.16 0.00 1.01 0.00 0.00 58.87 60.31 2dle n SER 37 Cb 0.17 0.00 0.16 0.00 -1.01 0.00 0.00 64.21 63.53 2dle n SER 37 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2dle n ASN 38 N -2.32 3.78 -4.68 6.43 2.85 -1.26 -5.03 115.26 115.04 2dle n ASN 38 Ca 0.00 -3.74 -0.45 0.00 -0.11 0.00 0.00 54.58 50.28 2dle n ASN 38 Cb 0.00 -0.71 -0.03 0.00 1.24 0.00 0.00 39.78 40.27 2dle n ASN 38 CO 0.00 0.00 0.00 -1.22 -2.11 0.00 0.00 177.26 173.93 2dle n TYR 39 N -1.06 2.26 -3.88 1.20 4.02 -1.26 -4.74 117.16 113.70 2dle n TYR 39 Ca 0.46 0.35 -0.22 0.00 -0.01 0.00 0.00 57.90 58.47 2dle n TYR 39 Cb 1.16 -2.51 -0.05 0.00 -0.02 0.00 0.00 39.34 37.92 2dle n TYR 39 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 2dle s THR 40 N 0.38 2.80 -0.16 -0.72 2.01 0.23 -4.60 115.64 115.58 2dle s THR 40 Ca 0.73 -1.52 -0.07 0.00 0.31 0.00 0.00 61.69 61.13 2dle s THR 40 Cb -0.65 -3.02 0.07 0.00 0.01 0.00 0.00 72.50 68.90 2dle s THR 40 CO 0.44 -0.07 0.36 -0.31 -0.69 0.00 0.00 174.62 174.35 2dle s TYR 41 N -2.47 -0.57 -0.25 4.92 2.02 0.30 -1.78 117.35 119.52 2dle s TYR 41 Ca 0.43 1.20 -0.01 0.00 -0.37 0.00 0.00 57.07 58.32 2dle s TYR 41 Cb -0.02 0.19 0.03 0.00 -0.40 0.00 0.00 41.96 41.76 2dle s TYR 41 CO 0.25 -0.36 -0.07 0.15 -1.57 0.00 0.00 175.55 173.95 2dle s LYS 42 N 1.83 2.73 -0.24 -0.62 1.02 -1.06 -0.22 119.74 123.18 2dle s LYS 42 Ca -0.06 -1.05 -0.15 0.00 0.02 0.00 0.00 55.97 54.74 2dle s LYS 42 Cb -0.10 -2.96 -0.04 0.00 -0.52 0.00 0.00 37.83 34.20 2dle s LYS 42 CO -0.11 -0.43 0.35 0.42 -0.92 0.00 0.00 175.35 174.66 2dle s ILE 43 N 1.29 5.21 -0.38 2.17 1.09 -0.84 -2.16 121.20 127.58 2dle s ILE 43 Ca -0.01 0.56 -0.08 0.00 -1.10 0.00 0.00 60.65 60.02 2dle s ILE 43 Cb -0.17 -3.68 0.05 0.00 -1.06 0.00 0.00 42.46 37.60 2dle s ILE 43 CO -0.05 0.22 0.18 -2.28 -0.10 0.00 0.00 174.94 172.91 2dle s HIS 44 N 1.64 3.30 -0.22 3.97 2.46 -1.06 -0.43 115.29 124.95 2dle s HIS 44 Ca 0.15 -1.44 -0.20 0.00 0.47 0.00 0.00 55.06 54.05 2dle s HIS 44 Cb -0.15 -2.59 -0.02 0.00 -0.13 0.00 0.00 32.58 29.68 2dle s HIS 44 CO 0.08 -0.77 0.60 0.08 -2.47 0.00 0.00 174.74 172.26 2dle s VAL 45 N 1.42 5.03 -0.29 0.89 1.01 -0.91 -3.10 120.40 124.45 2dle s VAL 45 Ca 0.01 1.09 -0.00 0.00 0.00 0.00 0.00 61.98 63.08 2dle s VAL 45 Cb -0.21 -3.91 0.05 0.00 0.00 0.00 0.00 36.38 32.31 2dle s VAL 45 CO 0.03 0.09 -0.04 0.00 0.00 0.00 0.00 175.10 175.18 2dle s ALA 46 N 2.11 2.74 0.15 5.51 0.00 -1.06 0.07 121.76 131.28 2dle s ALA 46 Ca 0.26 -1.75 0.00 0.00 0.00 0.00 0.00 51.96 50.47 2dle s ALA 46 Cb -0.16 -1.82 0.00 0.00 0.00 0.00 0.00 23.12 21.14 2dle s ALA 46 CO 0.09 -1.23 0.00 0.41 0.00 0.00 0.00 175.76 175.03 2dle n GLY 47 N 4.57 1.58 0.00 0.00 0.00 0.78 -2.67 105.19 109.45 2dle n GLY 47 Ca -0.14 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.19 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 0.00 -1.84 1.61 -0.58 -1.26 -4.53 120.64 114.04 2dle n GLU 48 Ca 0.00 0.33 -0.23 0.00 -0.42 0.00 0.00 57.16 56.85 2dle n GLU 48 Cb 0.00 -0.98 0.04 0.00 -0.57 0.00 0.00 31.44 29.94 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 -1.50 2.61 -3.58 2.62 -2.24 -1.26 -5.02 114.28 105.92 2dle n THR 49 Ca 0.00 -4.00 -0.05 0.00 -2.27 0.00 0.00 64.05 57.72 2dle n THR 49 Cb 0.00 -1.07 -0.03 0.00 -2.10 0.00 0.00 70.33 67.14 2dle n THR 49 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2dle s ASP 50 N -3.39 -0.19 0.06 3.42 2.15 -1.26 -5.19 116.67 112.28 2dle s ASP 50 Ca 0.51 0.05 -0.07 0.00 0.43 0.00 0.00 52.55 53.47 2dle s ASP 50 Cb 0.42 0.19 -0.01 0.00 -0.30 0.00 0.00 42.92 43.22 2dle s ASP 50 CO 0.03 -0.29 0.15 -0.44 -0.17 0.00 0.00 175.17 174.45 2dle s SER 51 N -2.00 0.15 0.37 -0.34 0.01 -1.26 -0.16 113.70 110.47 2dle s SER 51 Ca 0.07 -0.58 0.06 0.00 1.31 0.00 0.00 55.95 56.81 2dle s SER 51 Cb -0.01 0.29 -0.07 0.00 0.21 0.00 0.00 66.02 66.43 2dle s SER 51 CO -0.05 -0.62 0.01 -0.94 0.41 0.00 0.00 173.24 172.06 2dle s SER 52 N -2.49 3.31 0.01 2.44 1.04 0.11 -4.98 113.70 113.14 2dle s SER 52 Ca 0.00 -1.35 0.05 0.00 0.48 0.00 0.00 55.95 55.13 2dle s SER 52 Cb 0.02 -0.28 -0.02 0.00 0.10 0.00 0.00 66.02 65.85 2dle s SER 52 CO -0.07 -0.48 -0.16 0.21 0.98 0.00 0.00 173.24 173.72 2dle s ASN 53 N -3.61 1.85 0.04 7.02 2.47 -1.26 -2.15 114.94 119.29 2dle s ASN 53 Ca 0.35 -0.36 0.03 0.00 0.42 0.00 0.00 52.86 53.31 2dle s ASN 53 Cb 0.09 -0.17 -0.02 0.00 -1.45 0.00 0.00 41.25 39.69 2dle s ASN 53 CO 0.17 0.14 -0.10 -0.76 -3.72 0.00 0.00 177.10 172.82 2dle s LEU 54 N -0.68 2.21 -0.24 3.21 1.02 0.43 -4.98 118.68 119.65 2dle s LEU 54 Ca 0.05 -0.49 -0.03 0.00 0.02 0.00 0.00 54.13 53.68 2dle s LEU 54 Cb -0.07 -0.36 0.10 0.00 0.02 0.00 0.00 46.19 45.88 2dle s LEU 54 CO 0.00 -0.09 0.20 0.54 0.02 0.00 0.00 176.35 177.03 2dle s ASN 55 N -1.34 2.07 0.12 2.29 2.20 -1.26 -1.99 114.94 117.03 2dle s ASN 55 Ca -0.04 -0.66 0.03 0.00 -0.94 0.00 0.00 52.86 51.24 2dle s ASN 55 Cb -0.09 0.17 -0.04 0.00 -2.00 0.00 0.00 41.25 39.29 2dle s ASN 55 CO 0.01 -0.37 -0.07 0.68 -2.94 0.00 0.00 177.10 174.41 2dle s VAL 56 N 2.26 0.83 -1.79 3.54 -7.23 0.69 -4.99 120.40 113.72 2dle s VAL 56 Ca 0.07 -1.98 0.18 0.00 -1.81 0.00 0.00 61.98 58.45 2dle s VAL 56 Cb -0.15 -1.76 0.37 0.00 0.56 0.00 0.00 36.38 35.40 2dle s VAL 56 CO -0.23 -0.81 1.29 -1.20 -0.31 0.00 0.00 175.10 173.84 2dle n SER 57 N -0.10 3.15 -4.72 4.85 7.64 -1.26 0.11 113.62 123.29 2dle n SER 57 Ca -0.11 -1.91 -0.27 0.00 1.01 0.00 0.00 58.87 57.59 2dle n SER 57 Cb 0.61 -0.24 -0.07 0.00 -1.01 0.00 0.00 64.21 63.50 2dle n SER 57 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 2dle s GLU 58 N -1.19 2.61 0.00 1.43 1.03 -1.26 -4.70 118.70 116.62 2dle s GLU 58 Ca 0.32 -0.99 0.09 0.00 0.03 0.00 0.00 54.97 54.42 2dle s GLU 58 Cb 0.18 -2.49 0.55 0.00 -0.80 0.00 0.00 34.13 31.58 2dle s GLU 58 CO 0.25 0.47 0.99 -0.35 -1.33 0.00 0.00 175.26 175.30 2dle n PRO 59 N -0.14 0.49 -4.15 -4.83 -0.04 -1.26 -4.69 135.00 120.37 2dle n PRO 59 Ca -0.09 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.21 2dle n PRO 59 Cb 0.55 -1.30 -0.11 0.00 -0.04 0.00 0.00 33.50 32.60 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 0.78 -0.29 0.54 1.70 -1.26 -2.21 118.95 116.20 2dle s ARG 60 Ca 0.14 -1.01 -0.14 0.00 -0.47 0.00 0.00 55.73 54.25 2dle s ARG 60 Cb 0.06 -0.60 0.14 0.00 -0.57 0.00 0.00 34.95 33.99 2dle s ARG 60 CO 0.11 0.11 0.87 0.00 -1.08 0.00 0.00 175.30 175.31 2dle s ALA 61 N -1.81 -2.33 0.35 7.88 0.00 -0.74 -4.93 121.76 120.18 2dle s ALA 61 Ca -0.00 2.21 -0.07 0.00 0.00 0.00 0.00 51.96 54.10 2dle s ALA 61 Cb -0.07 -1.81 -0.06 0.00 0.00 0.00 0.00 23.12 21.19 2dle s ALA 61 CO 0.01 -0.69 0.66 0.08 0.00 0.00 0.00 175.76 175.82 2dle s VAL 62 N 2.10 4.91 -0.34 0.00 1.01 -1.26 -1.76 120.40 125.06 2dle s VAL 62 Ca -0.06 0.32 0.03 0.00 0.00 0.00 0.00 61.98 62.27 2dle s VAL 62 Cb -0.06 -3.74 0.10 0.00 0.00 0.00 0.00 36.38 32.68 2dle s VAL 62 CO -0.17 -0.44 0.06 -0.63 0.00 0.00 0.00 175.10 173.92 2dle s ILE 63 N -2.24 2.07 1.19 2.22 -1.09 0.06 -4.95 121.20 118.46 2dle s ILE 63 Ca 0.47 -2.23 -0.20 0.00 -2.23 0.00 0.00 60.65 56.46 2dle s ILE 63 Cb -0.10 -2.53 0.30 0.00 -1.58 0.00 0.00 42.46 38.54 2dle s ILE 63 CO 0.31 -0.62 1.06 -0.81 -1.23 0.00 0.00 174.94 173.65 2dle n PRO 64 N 4.31 -3.09 -3.71 2.79 -0.04 -1.26 -3.07 135.00 130.92 2dle n PRO 64 Ca 0.03 -1.69 -0.26 0.00 -0.04 0.00 0.00 63.50 61.54 2dle n PRO 64 Cb 0.42 -1.59 0.01 0.00 -0.04 0.00 0.00 33.50 32.30 2dle n PRO 64 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2dle n GLY 65 N -4.54 -0.80 3.84 0.55 0.00 -1.02 -4.79 105.19 98.43 2dle n GLY 65 Ca 0.15 0.35 -0.31 0.00 0.00 0.00 0.00 46.02 46.20 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 -5.44 4.07 -0.31 0.99 1.43 -1.19 -4.97 118.68 113.25 2dle s LEU 66 Ca 0.17 0.15 -0.18 0.00 -1.03 0.00 0.00 54.13 53.25 2dle s LEU 66 Cb -0.10 -2.61 -0.02 0.00 0.03 0.00 0.00 46.19 43.49 2dle s LEU 66 CO 0.69 0.20 0.49 -0.60 0.23 0.00 0.00 176.35 177.36 2dle s ARG 67 N -2.25 3.83 0.81 1.70 3.52 -1.26 -4.14 118.95 121.17 2dle s ARG 67 Ca 0.30 0.03 -0.11 0.00 -0.13 0.00 0.00 55.73 55.82 2dle s ARG 67 Cb -0.12 -3.73 0.08 0.00 -1.56 0.00 0.00 34.95 29.61 2dle s ARG 67 CO 0.22 -0.49 1.09 -1.12 -0.81 0.00 0.00 175.30 174.19 2dle s SER 68 N 1.67 4.17 -1.47 -2.12 0.01 -1.23 -3.72 113.70 111.01 2dle s SER 68 Ca 0.19 1.68 -0.04 0.00 1.31 0.00 0.00 55.95 59.10 2dle s SER 68 Cb -0.16 -2.38 0.03 0.00 0.21 0.00 0.00 66.02 63.72 2dle s SER 68 CO 0.11 -2.23 0.48 -1.54 0.41 0.00 0.00 173.24 170.48 2dle n SER 69 N -3.63 -0.92 -3.74 2.44 3.41 -1.18 -4.93 113.62 105.06 2dle n SER 69 Ca 0.08 -1.01 -0.12 0.00 -0.26 0.00 0.00 58.87 57.56 2dle n SER 69 Cb 0.54 -2.96 -0.11 0.00 -0.26 0.00 0.00 64.21 61.42 2dle n SER 69 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2dle s THR 70 N -3.84 -0.01 0.38 6.66 2.01 -1.24 -5.03 115.64 114.56 2dle s THR 70 Ca 0.16 0.04 -0.26 0.00 0.31 0.00 0.00 61.69 61.94 2dle s THR 70 Cb -0.08 -0.51 -0.09 0.00 0.01 0.00 0.00 72.50 71.83 2dle s THR 70 CO 0.90 0.02 1.16 0.12 -0.69 0.00 0.00 174.62 176.13 2dle s PHE 71 N 0.60 3.15 0.05 4.92 5.36 -1.26 -3.98 117.98 126.81 2dle s PHE 71 Ca -0.03 1.57 0.01 0.00 -0.96 0.00 0.00 56.93 57.52 2dle s PHE 71 Cb -0.05 -3.39 -0.03 0.00 -0.34 0.00 0.00 43.02 39.22 2dle s PHE 71 CO -0.04 -1.21 -0.06 0.71 -1.46 0.00 0.00 175.22 173.16 2dle s TYR 72 N -1.37 0.63 -0.29 10.12 2.02 -1.18 -4.62 117.35 122.66 2dle s TYR 72 Ca 0.55 -0.63 -0.01 0.00 -0.37 0.00 0.00 57.07 56.60 2dle s TYR 72 Cb -0.31 -0.39 0.09 0.00 -0.40 0.00 0.00 41.96 40.95 2dle s TYR 72 CO 0.39 -0.14 0.07 -0.80 -1.57 0.00 0.00 175.55 173.50 2dle s ASN 73 N -1.96 3.87 0.21 2.29 0.01 -1.09 -3.57 114.94 114.71 2dle s ASN 73 Ca -0.05 -1.49 -0.03 0.00 -0.71 0.00 0.00 52.86 50.58 2dle s ASN 73 Cb -0.05 -0.90 -0.05 0.00 0.41 0.00 0.00 41.25 40.66 2dle s ASN 73 CO -0.02 -0.38 0.44 -0.63 -1.51 0.00 0.00 177.10 175.01 2dle s ILE 74 N 1.59 5.13 -0.22 0.60 1.01 -1.25 -2.57 121.20 125.49 2dle s ILE 74 Ca 0.06 -0.11 -0.03 0.00 0.00 0.00 0.00 60.65 60.57 2dle s ILE 74 Cb -0.17 -3.70 0.11 0.00 0.01 0.00 0.00 42.46 38.70 2dle s ILE 74 CO -0.20 -0.16 0.27 -0.89 0.00 0.00 0.00 174.94 173.96 2dle s THR 75 N -1.88 -0.40 -0.61 2.92 2.01 -1.18 -3.36 115.64 113.15 2dle s THR 75 Ca 0.41 -0.15 -0.20 0.00 0.31 0.00 0.00 61.69 62.06 2dle s THR 75 Cb -0.11 -0.74 0.09 0.00 0.01 0.00 0.00 72.50 71.74 2dle s THR 75 CO 0.28 -0.22 0.79 -0.69 -0.69 0.00 0.00 174.62 174.09 2dle s VAL 76 N 2.38 4.65 -0.37 3.82 1.01 -0.36 -2.56 120.40 128.98 2dle s VAL 76 Ca 0.09 -0.73 -0.18 0.00 0.00 0.00 0.00 61.98 61.15 2dle s VAL 76 Cb -0.15 -4.54 0.00 0.00 0.00 0.00 0.00 36.38 31.69 2dle s VAL 76 CO -0.15 -1.21 0.50 0.00 0.00 0.00 0.00 175.10 174.24 2dle s PRO 78 N 2.38 4.42 -0.21 0.00 0.04 -1.26 -2.55 135.00 137.82 2dle s PRO 78 Ca 0.18 2.05 -0.04 0.00 0.04 0.00 0.00 61.00 63.23 2dle s PRO 78 Cb -0.16 -3.17 0.09 0.00 0.04 0.00 0.00 34.50 31.30 2dle s PRO 78 CO 0.14 -0.17 0.17 0.08 0.04 0.00 0.00 177.00 177.26 2dle s VAL 79 N -0.36 -0.22 0.14 -0.36 1.01 -0.74 -2.43 120.40 117.45 2dle s VAL 79 Ca 0.53 -0.24 0.03 0.00 0.00 0.00 0.00 61.98 62.30 2dle s VAL 79 Cb -0.36 -0.70 -0.19 0.00 0.00 0.00 0.00 36.38 35.12 2dle s VAL 79 CO 0.42 -0.32 1.31 0.25 0.00 0.00 0.00 175.10 176.76 2dle h LEU 80 N 8.36 0.19 0.00 3.92 5.85 -1.84 0.66 115.31 132.44 2dle h LEU 80 Ca -0.16 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.38 2dle h LEU 80 Cb 1.13 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.10 2dle h LEU 80 CO 0.31 1.05 0.00 0.61 -0.34 0.00 0.00 178.44 180.07 2dle n GLY 81 N 1.13 -1.71 0.11 3.75 0.00 -1.26 -4.58 105.19 102.63 2dle n GLY 81 Ca -0.03 0.59 0.02 0.00 0.00 0.00 0.00 46.02 46.60 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 1.08 -4.24 1.61 8.00 -1.26 -5.05 116.55 116.68 2dle n ASP 82 Ca 0.00 -1.92 -0.26 0.00 0.71 0.00 0.00 54.79 53.32 2dle n ASP 82 Cb 0.00 -0.13 -0.14 0.00 -0.02 0.00 0.00 41.12 40.83 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 -0.88 1.65 -0.35 0.53 1.01 -1.26 -5.11 121.20 116.78 2dle s ILE 83 Ca 0.06 -1.12 -0.00 0.00 0.00 0.00 0.00 60.65 59.59 2dle s ILE 83 Cb 0.06 -1.42 0.09 0.00 0.01 0.00 0.00 42.46 41.19 2dle s ILE 83 CO 0.01 0.27 0.08 -1.61 0.00 0.00 0.00 174.94 173.68 2dle s GLU 84 N -1.01 1.99 0.00 2.79 2.02 -1.26 -3.71 118.70 119.52 2dle s GLU 84 Ca 0.07 -1.65 0.00 0.00 0.02 0.00 0.00 54.97 53.41 2dle s GLU 84 Cb -0.09 -3.32 0.00 0.00 0.10 0.00 0.00 34.13 30.83 2dle s GLU 84 CO 0.01 -0.88 0.00 0.41 0.02 0.00 0.00 175.26 174.82 2dle n GLY 85 N 4.49 -1.85 3.67 -1.39 0.00 -1.02 -4.97 105.19 104.13 2dle n GLY 85 Ca -0.04 -1.43 -0.41 0.00 0.00 0.00 0.00 46.02 44.14 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 0.00 4.91 0.22 2.61 2.01 -0.75 -4.72 115.64 119.92 2dle s THR 86 Ca 0.00 1.57 -0.30 0.00 0.31 0.00 0.00 61.69 63.27 2dle s THR 86 Cb 0.00 -4.11 -0.09 0.00 0.01 0.00 0.00 72.50 68.31 2dle s THR 86 CO 0.00 0.06 1.29 -2.16 -0.69 0.00 0.00 174.62 173.12 2dle s PRO 87 N 1.99 4.40 -0.33 4.92 0.04 -1.26 -3.45 135.00 141.31 2dle s PRO 87 Ca 0.37 2.05 -0.17 0.00 0.04 0.00 0.00 61.00 63.29 2dle s PRO 87 Cb -0.17 -3.18 -0.01 0.00 0.04 0.00 0.00 34.50 31.18 2dle s PRO 87 CO 0.13 -0.21 0.49 0.20 0.04 0.00 0.00 177.00 177.64 2dle s GLY 88 N 0.18 1.84 0.08 0.56 0.00 0.01 -4.85 107.32 105.13 2dle s GLY 88 Ca 0.55 -0.97 -0.04 0.00 0.00 0.00 0.00 44.72 44.26 2dle s GLY 88 CO 0.40 1.21 0.29 -1.36 0.00 0.00 0.00 173.10 173.64 2dle s PHE 89 N 2.32 3.52 -0.30 1.90 0.40 -1.26 -1.22 117.98 123.34 2dle s PHE 89 Ca 0.18 0.47 -0.08 0.00 -0.60 0.00 0.00 56.93 56.90 2dle s PHE 89 Cb -0.16 -1.93 0.14 0.00 0.51 0.00 0.00 43.02 41.59 2dle s PHE 89 CO 0.12 0.53 0.63 -1.17 0.70 0.00 0.00 175.22 176.03 2dle s LEU 90 N -2.34 -1.18 0.10 -0.37 2.96 -1.21 -4.94 118.68 111.69 2dle s LEU 90 Ca 0.35 1.37 -0.30 0.00 -0.22 0.00 0.00 54.13 55.33 2dle s LEU 90 Cb -0.13 2.22 -0.06 0.00 0.50 0.00 0.00 46.19 48.73 2dle s LEU 90 CO 0.23 -0.23 1.10 -1.10 -1.32 0.00 0.00 176.35 175.03 2dle s GLN 91 N 2.87 4.54 0.04 1.98 -0.21 -1.26 -3.86 119.66 123.77 2dle s GLN 91 Ca 0.01 1.65 0.04 0.00 0.02 0.00 0.00 55.36 57.09 2dle s GLN 91 Cb -0.13 -3.35 -0.02 0.00 1.00 0.00 0.00 33.01 30.51 2dle s GLN 91 CO -0.19 -0.05 -0.13 0.14 -2.12 0.00 0.00 175.29 172.94 2dle s VAL 92 N 0.47 1.03 -0.22 1.09 -7.23 -1.23 -5.06 120.40 109.25 2dle s VAL 92 Ca 0.53 -0.98 -0.00 0.00 -1.81 0.00 0.00 61.98 59.72 2dle s VAL 92 Cb -0.27 -0.95 0.06 0.00 0.56 0.00 0.00 36.38 35.78 2dle s VAL 92 CO 0.31 -0.03 -0.02 -1.00 -0.31 0.00 0.00 175.10 174.05 2dle s HIS 93 N -0.87 1.94 0.44 2.82 3.76 -1.26 -3.11 115.29 119.00 2dle s HIS 93 Ca 0.01 -1.47 -0.25 0.00 -0.15 0.00 0.00 55.06 53.20 2dle s HIS 93 Cb -0.08 -1.41 -0.08 0.00 1.11 0.00 0.00 32.58 32.12 2dle s HIS 93 CO 0.01 -0.72 1.31 0.95 -0.85 0.00 0.00 174.74 175.43 2dle s THR 94 N 1.55 2.55 0.72 1.30 -4.23 -1.26 -4.99 115.64 111.28 2dle s THR 94 Ca -0.04 0.47 -0.13 0.00 -1.18 0.00 0.00 61.69 60.82 2dle s THR 94 Cb -0.18 -3.27 0.03 0.00 1.34 0.00 0.00 72.50 70.42 2dle s THR 94 CO -0.07 0.05 1.10 -2.16 -0.54 0.00 0.00 174.62 173.00 2dle s PRO 95 N -2.41 2.52 -0.12 3.99 0.04 -1.26 -3.12 135.00 134.64 2dle s PRO 95 Ca 0.60 1.28 -0.29 0.00 0.04 0.00 0.00 61.00 62.63 2dle s PRO 95 Cb -0.38 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.20 2dle s PRO 95 CO 0.48 -1.45 1.54 -1.25 0.04 0.00 0.00 177.00 176.36 2dle s PRO 96 N -4.50 4.11 0.05 0.56 0.04 -1.26 -3.22 135.00 130.77 2dle s PRO 96 Ca 0.64 1.93 -0.25 0.00 0.04 0.00 0.00 61.00 63.36 2dle s PRO 96 Cb -0.19 -3.94 -0.13 0.00 0.04 0.00 0.00 34.50 30.28 2dle s PRO 96 CO 0.49 -0.91 0.60 0.28 0.04 0.00 0.00 177.00 177.50 2dle n VAL 97 N 5.66 0.49 0.97 -0.36 0.31 -1.26 -4.72 118.33 119.42 2dle n VAL 97 Ca 0.17 -0.12 0.03 0.00 -0.01 0.00 0.00 64.34 64.41 2dle n VAL 97 Cb 0.44 0.00 0.20 0.00 -0.91 0.00 0.00 33.84 33.57 2dle n VAL 97 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2dle n PRO 98 N 0.91 0.49 -4.47 5.55 -0.04 -1.26 -4.72 135.00 131.45 2dle n PRO 98 Ca 0.13 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.34 2dle n PRO 98 Cb 0.10 -1.22 -0.10 0.00 -0.04 0.00 0.00 33.50 32.24 2dle n PRO 98 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dle s SER 99 N -1.73 3.78 0.00 3.54 0.15 -1.26 -5.13 113.70 113.06 2dle s SER 99 Ca 0.10 -1.08 0.00 0.00 0.70 0.00 0.00 55.95 55.68 2dle s SER 99 Cb 0.05 -0.38 0.00 0.00 -1.71 0.00 0.00 66.02 63.97 2dle s SER 99 CO 0.08 -0.10 0.00 0.61 1.20 0.00 0.00 173.24 175.03 2dle n GLY 100 N -0.75 4.28 1.26 9.45 0.00 -1.26 -5.15 105.19 113.01 2dle n GLY 100 Ca -0.05 -1.19 -0.11 0.00 0.00 0.00 0.00 46.02 44.67 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 -1.76 -1.79 -2.84 1.61 -0.04 -1.26 -5.01 135.00 123.91 2dle n PRO 101 Ca 0.00 -0.63 -0.36 0.00 -0.04 0.00 0.00 63.50 62.47 2dle n PRO 101 Cb 0.00 -0.59 -0.07 0.00 -0.04 0.00 0.00 33.50 32.80 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 -2.57 7.19 -0.16 3.54 1.04 -1.26 -5.00 113.70 116.48 2dle s SER 102 Ca 0.26 1.74 -0.21 0.00 0.48 0.00 0.00 55.95 58.22 2dle s SER 102 Cb -0.03 -2.55 -0.23 0.00 0.10 0.00 0.00 66.02 63.32 2dle s SER 102 CO 0.20 -0.14 0.43 0.28 0.98 0.00 0.00 173.24 174.99 2dle h SER 103 N 2.84 0.13 0.00 7.02 0.02 -2.06 -3.57 113.55 117.93 2dle h SER 103 Ca -0.47 -0.72 0.00 0.00 -0.84 0.00 0.00 61.79 59.75 2dle h SER 103 Cb 1.19 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.69 2dle h SER 103 CO 0.64 1.45 0.00 0.61 -1.14 0.00 0.00 176.83 178.39