#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dle n SER 2 N 0.00 1.39 -4.56 1.61 3.41 -1.26 -4.95 113.62 109.27 2dle n SER 2 Ca 0.00 0.02 -0.38 0.00 -0.26 0.00 0.00 58.87 58.24 2dle n SER 2 Cb 0.00 -0.07 -0.03 0.00 -0.26 0.00 0.00 64.21 63.85 2dle n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2dle s SER 3 N -4.93 5.16 0.00 4.04 0.01 -1.26 -4.52 113.70 112.20 2dle s SER 3 Ca -0.04 0.59 0.00 0.00 1.31 0.00 0.00 55.95 57.81 2dle s SER 3 Cb 0.01 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.72 2dle s SER 3 CO 0.05 -2.41 0.00 0.61 0.41 0.00 0.00 173.24 171.90 2dle n GLY 4 N 5.73 -1.06 3.81 3.44 0.00 -1.26 -5.18 105.19 110.67 2dle n GLY 4 Ca 0.24 0.37 -0.08 0.00 0.00 0.00 0.00 46.02 46.55 2dle n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dle s SER 5 N 1.69 -0.14 0.00 1.61 0.01 -1.26 -5.09 113.70 110.52 2dle s SER 5 Ca 0.00 -0.80 0.00 0.00 1.31 0.00 0.00 55.95 56.46 2dle s SER 5 Cb 0.00 0.74 0.00 0.00 0.21 0.00 0.00 66.02 66.97 2dle s SER 5 CO 0.00 -1.41 0.00 -1.54 0.41 0.00 0.00 173.24 170.70 2dle n SER 6 N -0.72 1.15 -4.76 2.44 3.41 -1.26 -5.05 113.62 108.83 2dle n SER 6 Ca -0.05 0.00 -0.39 0.00 -0.26 0.00 0.00 58.87 58.17 2dle n SER 6 Cb 0.60 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.50 2dle n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2dle s GLY 7 N -4.67 2.98 0.06 5.00 0.00 -1.26 -5.05 107.32 104.39 2dle s GLY 7 Ca 0.00 0.77 -0.16 0.00 0.00 0.00 0.00 44.72 45.33 2dle s GLY 7 CO 0.00 1.31 0.37 0.00 0.00 0.00 0.00 173.10 174.79 2dle s ALA 8 N -1.31 -0.88 -0.45 3.20 0.00 -1.26 -5.10 121.76 115.96 2dle s ALA 8 Ca 0.47 0.12 -0.27 0.00 0.00 0.00 0.00 51.96 52.29 2dle s ALA 8 Cb -0.27 0.41 -0.03 0.00 0.00 0.00 0.00 23.12 23.22 2dle s ALA 8 CO 0.35 -0.48 1.99 0.42 0.00 0.00 0.00 175.76 178.04 2dle s ILE 9 N -2.81 3.28 -0.04 0.00 1.01 -1.26 -4.87 121.20 116.52 2dle s ILE 9 Ca -0.03 0.23 0.02 0.00 0.00 0.00 0.00 60.65 60.88 2dle s ILE 9 Cb -0.00 -3.54 0.01 0.00 0.01 0.00 0.00 42.46 38.93 2dle s ILE 9 CO -0.05 -0.45 -0.10 -1.58 0.00 0.00 0.00 174.94 172.75 2dle s GLN 10 N 6.76 1.27 -0.22 2.79 0.74 -1.26 -2.59 119.66 127.15 2dle s GLN 10 Ca 0.81 -0.35 -0.18 0.00 0.05 0.00 0.00 55.36 55.69 2dle s GLN 10 Cb -0.19 -1.13 -0.03 0.00 1.10 0.00 0.00 33.01 32.76 2dle s GLN 10 CO 0.28 0.08 0.50 0.08 -0.55 0.00 0.00 175.29 175.68 2dle s VAL 11 N 0.40 5.11 0.18 1.34 1.01 -1.24 -3.45 120.40 123.75 2dle s VAL 11 Ca -0.08 0.90 0.00 0.00 0.00 0.00 0.00 61.98 62.81 2dle s VAL 11 Cb -0.12 -3.82 -0.04 0.00 0.00 0.00 0.00 36.38 32.39 2dle s VAL 11 CO 0.02 0.16 0.06 0.72 0.00 0.00 0.00 175.10 176.06 2dle s PHE 12 N 1.78 1.12 -0.80 5.22 -0.71 -0.38 -4.56 117.98 119.66 2dle s PHE 12 Ca 0.23 -1.19 -0.00 0.00 -1.04 0.00 0.00 56.93 54.92 2dle s PHE 12 Cb -0.15 -0.62 0.00 0.00 -1.21 0.00 0.00 43.02 41.03 2dle s PHE 12 CO 0.09 -0.42 0.01 -3.47 -1.34 0.00 0.00 175.22 170.09 2dle n ASP 13 N -0.23 -3.22 -4.66 1.98 -0.08 -1.26 0.22 116.55 109.31 2dle n ASP 13 Ca -0.04 -0.01 -0.43 0.00 -1.51 0.00 0.00 54.79 52.81 2dle n ASP 13 Cb 0.64 -2.48 -0.02 0.00 2.34 0.00 0.00 41.12 41.60 2dle n ASP 13 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 2dle s VAL 14 N -2.48 4.03 0.07 5.18 1.01 -1.26 -4.23 120.40 122.73 2dle s VAL 14 Ca 0.00 1.24 -0.10 0.00 0.00 0.00 0.00 61.98 63.12 2dle s VAL 14 Cb -0.00 -3.83 0.00 0.00 0.00 0.00 0.00 36.38 32.55 2dle s VAL 14 CO 0.01 -0.14 0.22 -0.89 0.00 0.00 0.00 175.10 174.29 2dle s THR 15 N 3.81 0.12 -0.72 3.92 2.01 0.20 -4.93 115.64 120.06 2dle s THR 15 Ca 0.61 -0.98 -0.16 0.00 0.31 0.00 0.00 61.69 61.47 2dle s THR 15 Cb -0.25 -1.13 0.16 0.00 0.01 0.00 0.00 72.50 71.29 2dle s THR 15 CO 0.20 -0.54 0.73 0.00 -0.69 0.00 0.00 174.62 174.32 2dle s ALA 16 N -3.25 3.76 0.54 7.40 0.00 -1.26 -1.03 121.76 127.91 2dle s ALA 16 Ca 0.00 -2.84 0.32 0.00 0.00 0.00 0.00 51.96 49.44 2dle s ALA 16 Cb 0.02 -3.52 1.48 0.00 0.00 0.00 0.00 23.12 21.11 2dle s ALA 16 CO -0.08 -2.31 1.89 -0.39 0.00 0.00 0.00 175.76 174.88 2dle h VAL 17 N 5.42 0.54 -2.44 0.00 -1.51 -1.87 -3.41 116.25 112.98 2dle h VAL 17 Ca -0.07 0.00 -0.09 0.00 -1.23 0.00 0.00 66.70 65.31 2dle h VAL 17 Cb 1.06 0.55 -0.23 0.00 -2.13 0.00 0.00 31.29 30.55 2dle h VAL 17 CO 0.94 0.00 -0.09 0.21 -1.23 0.00 0.00 177.57 177.39 2dle s ASN 18 N -5.61 -0.57 -0.25 4.19 3.84 -1.24 -5.02 114.94 110.29 2dle s ASN 18 Ca -0.05 1.08 -0.01 0.00 0.21 0.00 0.00 52.86 54.09 2dle s ASN 18 Cb 0.21 1.09 0.08 0.00 -0.55 0.00 0.00 41.25 42.08 2dle s ASN 18 CO 0.76 -0.19 0.05 -0.63 -2.79 0.00 0.00 177.10 174.30 2dle s ILE 19 N 0.36 0.81 0.30 -5.21 1.01 -1.26 -0.92 121.20 116.29 2dle s ILE 19 Ca -0.01 -1.00 0.04 0.00 0.00 0.00 0.00 60.65 59.69 2dle s ILE 19 Cb -0.04 -1.40 0.05 0.00 0.01 0.00 0.00 42.46 41.08 2dle s ILE 19 CO -0.00 -0.39 0.41 -0.24 0.00 0.00 0.00 174.94 174.72 2dle n SER 20 N 4.91 1.00 0.10 3.58 2.88 0.32 -4.66 113.62 121.75 2dle n SER 20 Ca -0.07 -1.74 -0.23 0.00 -1.33 0.00 0.00 58.87 55.51 2dle n SER 20 Cb 0.45 -0.23 -0.15 0.00 -0.75 0.00 0.00 64.21 63.53 2dle n SER 20 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2dle h ALA 21 N 0.19 -0.11 0.00 -1.46 0.00 -1.91 -3.37 119.26 112.60 2dle h ALA 21 Ca -0.14 -0.78 -0.01 0.00 0.00 0.00 0.00 54.91 53.97 2dle h ALA 21 Cb 0.62 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 2dle h ALA 21 CO 0.19 0.57 -0.42 0.25 0.00 0.00 0.00 179.25 179.85 2dle n THR 22 N -3.88 1.93 -3.65 0.00 -2.24 -1.25 -3.21 114.28 101.99 2dle n THR 22 Ca -0.15 -2.79 -0.04 0.00 -2.27 0.00 0.00 64.05 58.80 2dle n THR 22 Cb 0.98 -0.14 -0.07 0.00 -2.10 0.00 0.00 70.33 69.01 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 -3.02 -0.19 -0.11 3.42 1.04 -1.25 -1.76 113.70 111.83 2dle s SER 23 Ca 0.35 0.36 -0.07 0.00 0.48 0.00 0.00 55.95 57.07 2dle s SER 23 Cb 0.34 0.50 0.04 0.00 0.10 0.00 0.00 66.02 67.00 2dle s SER 23 CO -0.05 -0.06 0.27 -1.48 0.98 0.00 0.00 173.24 172.90 2dle s LEU 24 N 0.29 0.52 -0.18 2.42 0.05 -1.10 0.12 118.68 120.79 2dle s LEU 24 Ca 0.03 0.57 -0.13 0.00 0.05 0.00 0.00 54.13 54.65 2dle s LEU 24 Cb -0.05 0.87 -0.05 0.00 -2.05 0.00 0.00 46.19 44.91 2dle s LEU 24 CO -0.12 -0.15 0.28 -0.89 -0.55 0.00 0.00 176.35 174.92 2dle s THR 25 N 0.94 5.31 0.03 5.48 2.01 -0.09 -0.44 115.64 128.88 2dle s THR 25 Ca -0.07 0.50 0.03 0.00 0.31 0.00 0.00 61.69 62.46 2dle s THR 25 Cb -0.08 -3.62 -0.04 0.00 0.01 0.00 0.00 72.50 68.78 2dle s THR 25 CO -0.06 0.37 -0.01 -0.22 -0.69 0.00 0.00 174.62 174.00 2dle s LEU 26 N 0.64 3.43 0.01 4.42 2.96 -0.59 -2.84 118.68 126.71 2dle s LEU 26 Ca 0.15 -0.09 -0.02 0.00 -0.22 0.00 0.00 54.13 53.95 2dle s LEU 26 Cb -0.13 -2.04 -0.01 0.00 0.50 0.00 0.00 46.19 44.51 2dle s LEU 26 CO 0.04 0.24 0.02 0.27 -1.32 0.00 0.00 176.35 175.60 2dle s ILE 27 N -1.15 0.08 0.08 6.68 -4.36 -0.20 -2.11 121.20 120.22 2dle s ILE 27 Ca 0.21 -0.63 -0.16 0.00 -0.26 0.00 0.00 60.65 59.81 2dle s ILE 27 Cb -0.11 -0.24 0.03 0.00 1.25 0.00 0.00 42.46 43.39 2dle s ILE 27 CO 0.12 -0.34 0.39 -1.66 0.24 0.00 0.00 174.94 173.69 2dle s TRP 28 N -1.05 -0.20 -0.14 1.37 -2.14 -1.04 -0.63 118.94 115.10 2dle s TRP 28 Ca -0.11 0.01 -0.02 0.00 2.66 0.00 0.00 56.10 58.64 2dle s TRP 28 Cb -0.07 0.21 -0.02 0.00 -3.10 0.00 0.00 33.47 30.49 2dle s TRP 28 CO -0.00 -0.62 -0.09 0.21 -2.66 0.00 0.00 176.95 173.78 2dle s LYS 29 N -3.14 3.49 0.16 3.25 2.20 0.13 -4.83 119.74 121.01 2dle s LYS 29 Ca -0.01 -0.62 0.01 0.00 -0.36 0.00 0.00 55.97 54.98 2dle s LYS 29 Cb 0.01 -2.75 -0.04 0.00 -1.51 0.00 0.00 37.83 33.54 2dle s LYS 29 CO -0.07 0.21 0.33 0.08 -0.36 0.00 0.00 175.35 175.54 2dle s VAL 30 N 0.40 5.27 -0.23 4.02 1.01 -1.26 -1.25 120.40 128.35 2dle s VAL 30 Ca -0.08 -0.48 0.01 0.00 0.00 0.00 0.00 61.98 61.43 2dle s VAL 30 Cb -0.15 -3.72 0.25 0.00 0.00 0.00 0.00 36.38 32.75 2dle s VAL 30 CO 0.04 -0.10 1.65 -1.54 0.00 0.00 0.00 175.10 175.15 2dle n SER 31 N -0.50 4.57 -3.64 3.32 3.41 -1.22 -4.77 113.62 114.78 2dle n SER 31 Ca -0.06 -2.82 -0.05 0.00 -0.26 0.00 0.00 58.87 55.69 2dle n SER 31 Cb 0.54 -0.82 -0.07 0.00 -0.26 0.00 0.00 64.21 63.60 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 0.15 -0.75 0.00 4.04 1.01 -1.26 -4.95 116.67 114.91 2dle s ASP 32 Ca 0.26 1.20 0.00 0.00 0.71 0.00 0.00 52.55 54.72 2dle s ASP 32 Cb 0.21 1.31 0.00 0.00 1.01 0.00 0.00 42.92 45.45 2dle s ASP 32 CO 0.03 -0.19 0.00 0.59 0.21 0.00 0.00 175.17 175.81 2dle n ASN 33 N 4.04 2.78 -0.04 0.27 3.02 -1.26 -4.53 115.26 119.54 2dle n ASN 33 Ca -0.19 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.22 2dle n ASN 33 Cb 0.58 0.25 -0.08 0.00 -0.61 0.00 0.00 39.78 39.92 2dle n ASN 33 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 2dle h GLU 34 N 0.00 0.23 -0.85 3.52 4.11 -2.01 -3.24 114.58 116.35 2dle h GLU 34 Ca 0.00 -0.13 -0.51 0.00 0.07 0.00 0.00 59.36 58.79 2dle h GLU 34 Cb 0.57 0.01 -0.27 0.00 0.50 0.00 0.00 28.75 29.55 2dle h GLU 34 CO 0.00 0.68 0.45 0.43 0.07 0.00 0.00 179.01 180.64 2dle n SER 35 N -4.64 4.84 -2.41 3.06 7.64 -1.26 -4.58 113.62 116.27 2dle n SER 35 Ca -0.07 -3.72 -0.28 0.00 1.01 0.00 0.00 58.87 55.81 2dle n SER 35 Cb 0.34 -0.80 0.02 0.00 -1.01 0.00 0.00 64.21 62.76 2dle n SER 35 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2dle n SER 36 N -1.03 5.34 -0.00 6.43 2.88 -1.22 -4.81 113.62 121.19 2dle n SER 36 Ca 0.54 -3.75 -0.00 0.00 -1.33 0.00 0.00 58.87 54.33 2dle n SER 36 Cb 1.17 -0.54 -0.00 0.00 -0.75 0.00 0.00 64.21 64.08 2dle n SER 36 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2dle h SER 37 N 2.49 0.00 -0.11 -3.46 0.02 -1.83 -3.37 113.55 107.29 2dle h SER 37 Ca 0.37 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 61.25 2dle h SER 37 Cb 0.96 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.46 2dle h SER 37 CO 0.95 0.03 0.10 -3.20 -1.14 0.00 0.00 176.83 173.57 2dle n ASN 38 N -2.24 5.39 -4.77 3.07 5.15 -1.26 -4.89 115.26 115.71 2dle n ASN 38 Ca -0.00 -2.53 -0.39 0.00 -0.60 0.00 0.00 54.58 51.05 2dle n ASN 38 Cb 0.01 -1.06 -0.06 0.00 -0.53 0.00 0.00 39.78 38.14 2dle n ASN 38 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 2dle s TYR 39 N -0.43 3.84 0.37 1.20 1.51 -1.26 -4.70 117.35 117.89 2dle s TYR 39 Ca 0.07 1.54 0.08 0.00 -1.01 0.00 0.00 57.07 57.75 2dle s TYR 39 Cb 0.06 -2.75 -0.06 0.00 -0.11 0.00 0.00 41.96 39.09 2dle s TYR 39 CO 0.00 0.44 0.02 0.95 -1.11 0.00 0.00 175.55 175.85 2dle s THR 40 N -0.78 2.34 -0.08 -0.71 -4.23 -0.75 -4.51 115.64 106.92 2dle s THR 40 Ca 0.36 -1.98 -0.03 0.00 -1.18 0.00 0.00 61.69 58.86 2dle s THR 40 Cb -0.22 -2.85 0.05 0.00 1.34 0.00 0.00 72.50 70.82 2dle s THR 40 CO 0.24 -0.12 0.15 -0.31 -0.54 0.00 0.00 174.62 174.05 2dle s TYR 41 N -2.60 -0.16 -0.51 3.99 2.02 -0.21 -2.38 117.35 117.50 2dle s TYR 41 Ca 0.35 0.58 -0.14 0.00 -0.37 0.00 0.00 57.07 57.49 2dle s TYR 41 Cb 0.04 -0.27 0.12 0.00 -0.40 0.00 0.00 41.96 41.45 2dle s TYR 41 CO 0.19 -0.26 0.44 0.15 -1.57 0.00 0.00 175.55 174.50 2dle s LYS 42 N 2.21 2.82 -0.49 -0.62 1.02 -1.15 -2.41 119.74 121.11 2dle s LYS 42 Ca 0.02 -1.69 -0.22 0.00 0.02 0.00 0.00 55.97 54.11 2dle s LYS 42 Cb -0.12 -4.16 0.04 0.00 -0.52 0.00 0.00 37.83 33.07 2dle s LYS 42 CO -0.06 -1.25 0.75 0.42 -0.92 0.00 0.00 175.35 174.29 2dle s ILE 43 N 1.52 4.69 -0.30 2.17 1.09 -1.19 -3.23 121.20 125.96 2dle s ILE 43 Ca 0.04 0.04 -0.09 0.00 -1.10 0.00 0.00 60.65 59.54 2dle s ILE 43 Cb -0.28 -4.35 -0.01 0.00 -1.06 0.00 0.00 42.46 36.76 2dle s ILE 43 CO 0.02 -0.82 0.13 -2.28 -0.10 0.00 0.00 174.94 171.89 2dle s HIS 44 N 3.16 3.16 0.15 3.97 5.65 -0.89 0.14 115.29 130.63 2dle s HIS 44 Ca 0.24 -0.53 -0.17 0.00 0.25 0.00 0.00 55.06 54.85 2dle s HIS 44 Cb -0.15 -2.33 -0.07 0.00 -1.18 0.00 0.00 32.58 28.85 2dle s HIS 44 CO 0.18 -0.43 0.60 0.08 -0.65 0.00 0.00 174.74 174.52 2dle s VAL 45 N 1.61 4.75 -0.37 0.89 1.01 -0.09 -2.37 120.40 125.84 2dle s VAL 45 Ca 0.05 1.04 0.02 0.00 0.00 0.00 0.00 61.98 63.09 2dle s VAL 45 Cb -0.17 -3.81 0.11 0.00 0.00 0.00 0.00 36.38 32.52 2dle s VAL 45 CO 0.06 0.31 0.14 0.00 0.00 0.00 0.00 175.10 175.61 2dle s ALA 46 N -1.39 2.23 0.17 5.51 0.00 -0.76 -1.46 121.76 126.06 2dle s ALA 46 Ca 0.37 -2.31 0.00 0.00 0.00 0.00 0.00 51.96 50.02 2dle s ALA 46 Cb -0.17 -1.84 0.00 0.00 0.00 0.00 0.00 23.12 21.11 2dle s ALA 46 CO 0.20 -1.82 0.00 0.41 0.00 0.00 0.00 175.76 174.55 2dle n GLY 47 N 4.16 1.50 0.06 0.00 0.00 -0.88 -2.29 105.19 107.74 2dle n GLY 47 Ca 0.03 -1.65 -0.06 0.00 0.00 0.00 0.00 46.02 44.34 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 1.92 0.03 1.61 -0.58 -1.26 -4.66 120.64 117.70 2dle n GLU 48 Ca 0.00 0.01 -0.19 0.00 -0.42 0.00 0.00 57.16 56.56 2dle n GLU 48 Cb 0.00 -1.28 -0.14 0.00 -0.57 0.00 0.00 31.44 29.45 2dle n GLU 48 CO 0.00 0.00 0.00 1.79 -0.48 0.00 0.00 177.13 178.44 2dle h THR 49 N 0.00 0.85 -2.07 2.62 1.35 -1.99 -3.50 112.91 110.16 2dle h THR 49 Ca -0.30 -2.53 0.16 0.00 -0.55 0.00 0.00 66.41 63.19 2dle h THR 49 Cb 1.64 2.62 -0.03 0.00 -1.73 0.00 0.00 68.15 70.65 2dle h THR 49 CO 0.01 0.82 0.49 -0.67 -0.25 0.00 0.00 175.52 175.92 2dle n ASP 50 N -3.45 -1.03 -4.55 5.36 2.03 -1.26 -5.18 116.55 108.46 2dle n ASP 50 Ca -0.25 -1.44 -0.26 0.00 0.52 0.00 0.00 54.79 53.37 2dle n ASP 50 Cb 1.06 1.65 -0.10 0.00 -0.72 0.00 0.00 41.12 43.00 2dle n ASP 50 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 2dle s SER 51 N -2.77 3.77 0.13 1.67 1.04 -1.26 -2.08 113.70 114.20 2dle s SER 51 Ca 0.18 -1.17 0.03 0.00 0.48 0.00 0.00 55.95 55.47 2dle s SER 51 Cb -0.01 -0.36 -0.04 0.00 0.10 0.00 0.00 66.02 65.70 2dle s SER 51 CO 0.02 -0.19 -0.08 -0.94 0.98 0.00 0.00 173.24 173.03 2dle s SER 52 N -3.61 1.49 -0.07 7.02 1.04 -0.54 -4.95 113.70 114.08 2dle s SER 52 Ca 0.33 -1.02 0.03 0.00 0.48 0.00 0.00 55.95 55.77 2dle s SER 52 Cb 0.02 0.04 0.00 0.00 0.10 0.00 0.00 66.02 66.18 2dle s SER 52 CO 0.17 -0.40 -0.18 0.54 0.98 0.00 0.00 173.24 174.35 2dle s ASN 53 N -3.12 2.35 0.39 7.02 4.22 -1.26 -0.91 114.94 123.63 2dle s ASN 53 Ca 0.15 -0.41 0.08 0.00 -2.14 0.00 0.00 52.86 50.54 2dle s ASN 53 Cb 0.04 -0.97 -0.06 0.00 1.28 0.00 0.00 41.25 41.54 2dle s ASN 53 CO -0.01 0.11 0.09 -0.22 -2.04 0.00 0.00 177.10 175.03 2dle s LEU 54 N 0.39 3.03 -0.20 3.54 2.96 0.12 -4.97 118.68 123.55 2dle s LEU 54 Ca -0.13 -1.10 -0.10 0.00 -0.22 0.00 0.00 54.13 52.57 2dle s LEU 54 Cb -0.16 -1.31 0.07 0.00 0.50 0.00 0.00 46.19 45.29 2dle s LEU 54 CO 0.05 -0.42 0.47 0.21 -1.32 0.00 0.00 176.35 175.34 2dle s ASN 55 N -3.81 -0.60 0.23 3.68 2.47 -1.26 -3.14 114.94 112.51 2dle s ASN 55 Ca 0.38 1.04 -0.17 0.00 0.42 0.00 0.00 52.86 54.52 2dle s ASN 55 Cb 0.04 0.96 0.02 0.00 -1.45 0.00 0.00 41.25 40.81 2dle s ASN 55 CO 0.21 -0.21 0.56 0.68 -3.72 0.00 0.00 177.10 174.62 2dle s VAL 56 N 1.55 0.01 -1.54 -5.21 -7.23 -1.01 -5.01 120.40 101.96 2dle s VAL 56 Ca -0.09 -0.96 0.13 0.00 -1.81 0.00 0.00 61.98 59.25 2dle s VAL 56 Cb -0.08 -1.80 0.08 0.00 0.56 0.00 0.00 36.38 35.13 2dle s VAL 56 CO -0.14 -0.06 0.87 -1.54 -0.31 0.00 0.00 175.10 173.91 2dle n SER 57 N -0.38 1.92 -4.73 4.85 3.41 -1.26 -1.05 113.62 116.38 2dle n SER 57 Ca -0.07 -1.46 -0.24 0.00 -0.26 0.00 0.00 58.87 56.85 2dle n SER 57 Cb 0.62 0.13 -0.06 0.00 -0.26 0.00 0.00 64.21 64.64 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 -1.26 2.61 0.00 4.33 1.03 -1.26 -4.73 118.70 119.43 2dle s GLU 58 Ca 0.14 -1.16 0.10 0.00 0.03 0.00 0.00 54.97 54.08 2dle s GLU 58 Cb 0.11 -2.40 0.57 0.00 -0.80 0.00 0.00 34.13 31.61 2dle s GLU 58 CO 0.21 0.41 1.01 -0.35 -1.33 0.00 0.00 175.26 175.21 2dle n PRO 59 N -0.77 0.48 -4.24 -4.83 -0.04 -1.26 -4.70 135.00 119.64 2dle n PRO 59 Ca -0.08 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.20 2dle n PRO 59 Cb 0.57 -1.31 -0.11 0.00 -0.04 0.00 0.00 33.50 32.61 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 1.02 -0.29 0.54 1.70 -1.26 -2.50 118.95 116.16 2dle s ARG 60 Ca 0.14 -1.23 -0.16 0.00 -0.47 0.00 0.00 55.73 54.01 2dle s ARG 60 Cb 0.07 -0.93 0.12 0.00 -0.57 0.00 0.00 34.95 33.64 2dle s ARG 60 CO 0.11 0.18 0.88 0.00 -1.08 0.00 0.00 175.30 175.39 2dle s ALA 61 N -2.06 -2.13 0.11 7.88 0.00 -0.90 -4.90 121.76 119.77 2dle s ALA 61 Ca 0.08 2.26 -0.04 0.00 0.00 0.00 0.00 51.96 54.26 2dle s ALA 61 Cb -0.05 -1.60 -0.05 0.00 0.00 0.00 0.00 23.12 21.41 2dle s ALA 61 CO 0.03 -0.35 0.34 0.08 0.00 0.00 0.00 175.76 175.86 2dle s VAL 62 N 1.39 5.21 -0.37 0.00 1.01 -1.26 -1.55 120.40 124.82 2dle s VAL 62 Ca -0.09 0.00 0.01 0.00 0.00 0.00 0.00 61.98 61.91 2dle s VAL 62 Cb -0.04 -3.62 0.11 0.00 0.00 0.00 0.00 36.38 32.82 2dle s VAL 62 CO -0.16 0.10 0.12 -0.63 0.00 0.00 0.00 175.10 174.52 2dle s ILE 63 N -1.59 2.67 0.34 2.22 -1.09 0.41 -4.93 121.20 119.24 2dle s ILE 63 Ca 0.38 -2.28 -0.06 0.00 -2.23 0.00 0.00 60.65 56.47 2dle s ILE 63 Cb -0.12 -2.91 0.08 0.00 -1.58 0.00 0.00 42.46 37.93 2dle s ILE 63 CO 0.24 -0.64 0.30 -0.81 -1.23 0.00 0.00 174.94 172.80 2dle n PRO 64 N 4.33 -1.61 -3.84 2.79 -0.04 -1.26 -2.72 135.00 132.65 2dle n PRO 64 Ca 0.02 -0.48 -0.31 0.00 -0.04 0.00 0.00 63.50 62.69 2dle n PRO 64 Cb 0.41 -0.45 0.01 0.00 -0.04 0.00 0.00 33.50 33.43 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 0.46 -0.76 3.79 0.55 0.00 -0.72 -4.71 105.19 103.79 2dle n GLY 65 Ca 0.04 0.33 -0.23 0.00 0.00 0.00 0.00 46.02 46.16 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 -6.05 3.71 0.09 0.99 1.43 -1.17 -4.96 118.68 112.72 2dle s LEU 66 Ca 0.25 -0.30 0.01 0.00 -1.03 0.00 0.00 54.13 53.06 2dle s LEU 66 Cb -0.14 -2.25 -0.04 0.00 0.03 0.00 0.00 46.19 43.79 2dle s LEU 66 CO 0.73 -0.02 0.22 -0.13 0.23 0.00 0.00 176.35 177.39 2dle s ARG 67 N -3.73 3.42 0.28 1.70 0.52 -1.20 -3.83 118.95 116.11 2dle s ARG 67 Ca 0.32 -0.49 -0.13 0.00 -0.52 0.00 0.00 55.73 54.91 2dle s ARG 67 Cb -0.08 -3.01 -0.08 0.00 0.52 0.00 0.00 34.95 32.30 2dle s ARG 67 CO 0.24 0.58 0.65 -1.54 0.02 0.00 0.00 175.30 175.26 2dle s SER 68 N -2.70 6.72 -1.36 0.23 1.04 -1.25 -4.23 113.70 112.15 2dle s SER 68 Ca 0.35 1.13 -0.08 0.00 0.48 0.00 0.00 55.95 57.83 2dle s SER 68 Cb -0.12 -2.31 0.00 0.00 0.10 0.00 0.00 66.02 63.69 2dle s SER 68 CO 0.28 -0.14 0.45 -1.20 0.98 0.00 0.00 173.24 173.61 2dle n SER 69 N -0.24 -1.42 -3.77 7.02 7.64 -0.80 -4.84 113.62 117.21 2dle n SER 69 Ca 0.02 -1.08 -0.15 0.00 1.01 0.00 0.00 58.87 58.67 2dle n SER 69 Cb 0.53 -2.74 -0.16 0.00 -1.01 0.00 0.00 64.21 60.82 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 -3.89 -0.06 0.17 0.44 2.01 -1.26 -4.98 115.64 108.07 2dle s THR 70 Ca 0.14 0.21 -0.30 0.00 0.31 0.00 0.00 61.69 62.05 2dle s THR 70 Cb -0.06 -0.08 -0.08 0.00 0.01 0.00 0.00 72.50 72.29 2dle s THR 70 CO 0.91 0.09 1.18 0.12 -0.69 0.00 0.00 174.62 176.23 2dle s PHE 71 N 1.05 3.45 -0.02 4.92 5.36 -1.26 -3.86 117.98 127.62 2dle s PHE 71 Ca -0.09 1.43 0.01 0.00 -0.96 0.00 0.00 56.93 57.33 2dle s PHE 71 Cb -0.13 -3.41 0.01 0.00 -0.34 0.00 0.00 43.02 39.16 2dle s PHE 71 CO -0.03 -1.13 -0.04 0.71 -1.46 0.00 0.00 175.22 173.27 2dle s TYR 72 N 0.04 0.48 -0.43 10.12 2.02 -1.22 -4.66 117.35 123.69 2dle s TYR 72 Ca 0.53 -0.09 -0.08 0.00 -0.37 0.00 0.00 57.07 57.06 2dle s TYR 72 Cb -0.32 -0.40 0.10 0.00 -0.40 0.00 0.00 41.96 40.94 2dle s TYR 72 CO 0.36 -0.08 0.28 1.21 -1.57 0.00 0.00 175.55 175.74 2dle s ASN 73 N 0.38 5.59 0.25 2.29 3.04 -0.97 -3.34 114.94 122.17 2dle s ASN 73 Ca -0.04 -1.72 -0.10 0.00 0.04 0.00 0.00 52.86 51.04 2dle s ASN 73 Cb -0.08 -1.97 -0.07 0.00 -1.54 0.00 0.00 41.25 37.59 2dle s ASN 73 CO -0.00 -0.59 0.58 -0.63 -3.04 0.00 0.00 177.10 173.42 2dle s ILE 74 N 1.36 4.89 -0.04 -5.21 1.01 -1.25 -1.83 121.20 120.13 2dle s ILE 74 Ca 0.04 0.54 -0.02 0.00 0.00 0.00 0.00 60.65 61.22 2dle s ILE 74 Cb -0.24 -3.62 0.03 0.00 0.01 0.00 0.00 42.46 38.64 2dle s ILE 74 CO 0.00 -0.10 0.05 -0.89 0.00 0.00 0.00 174.94 174.00 2dle s THR 75 N -1.86 -0.02 -0.41 2.92 2.01 -1.00 -3.34 115.64 113.94 2dle s THR 75 Ca 0.48 0.35 -0.06 0.00 0.31 0.00 0.00 61.69 62.77 2dle s THR 75 Cb -0.11 -0.21 0.09 0.00 0.01 0.00 0.00 72.50 72.29 2dle s THR 75 CO 0.21 0.18 0.23 -0.69 -0.69 0.00 0.00 174.62 173.86 2dle s VAL 76 N 1.97 3.78 -0.33 3.82 1.01 -0.50 -2.09 120.40 128.06 2dle s VAL 76 Ca 0.03 -1.69 -0.09 0.00 0.00 0.00 0.00 61.98 60.23 2dle s VAL 76 Cb -0.12 -3.42 0.01 0.00 0.00 0.00 0.00 36.38 32.85 2dle s VAL 76 CO -0.03 -0.58 0.16 0.00 0.00 0.00 0.00 175.10 174.65 2dle s PRO 78 N 1.55 4.44 -0.20 0.00 0.04 -1.26 -2.96 135.00 136.62 2dle s PRO 78 Ca 0.03 2.05 -0.05 0.00 0.04 0.00 0.00 61.00 63.07 2dle s PRO 78 Cb -0.18 -3.09 0.07 0.00 0.04 0.00 0.00 34.50 31.35 2dle s PRO 78 CO 0.05 -0.05 0.13 0.08 0.04 0.00 0.00 177.00 177.25 2dle s VAL 79 N -1.17 -0.14 0.10 -0.36 1.01 -1.00 -2.45 120.40 116.39 2dle s VAL 79 Ca 0.48 -0.25 -0.01 0.00 0.00 0.00 0.00 61.98 62.20 2dle s VAL 79 Cb -0.36 -0.66 -0.24 0.00 0.00 0.00 0.00 36.38 35.11 2dle s VAL 79 CO 0.48 -0.34 1.22 0.25 0.00 0.00 0.00 175.10 176.71 2dle h LEU 80 N 8.39 0.32 0.00 3.92 5.85 -1.84 -2.01 115.31 129.95 2dle h LEU 80 Ca -0.16 -0.32 0.00 0.00 0.84 0.00 0.00 57.88 58.24 2dle h LEU 80 Cb 1.13 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.06 2dle h LEU 80 CO 0.31 1.22 0.00 0.61 -0.34 0.00 0.00 178.44 180.24 2dle n GLY 81 N 1.35 -2.11 0.42 3.75 0.00 -1.26 -4.73 105.19 102.61 2dle n GLY 81 Ca -0.06 0.69 0.06 0.00 0.00 0.00 0.00 46.02 46.71 2dle n GLY 81 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2dle n ASP 82 N 0.00 1.57 -4.10 1.61 5.68 -1.26 -5.04 116.55 115.01 2dle n ASP 82 Ca 0.00 -2.92 -0.16 0.00 -0.50 0.00 0.00 54.79 51.20 2dle n ASP 82 Cb 0.00 -0.39 -0.12 0.00 -1.14 0.00 0.00 41.12 39.47 2dle n ASP 82 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 2dle s ILE 83 N -2.05 0.80 -0.20 2.12 1.01 -1.26 -5.14 121.20 116.48 2dle s ILE 83 Ca 0.27 -1.02 0.01 0.00 0.00 0.00 0.00 60.65 59.90 2dle s ILE 83 Cb 0.25 -0.79 0.04 0.00 0.01 0.00 0.00 42.46 41.97 2dle s ILE 83 CO -0.02 -0.20 -0.14 -1.61 0.00 0.00 0.00 174.94 172.98 2dle s GLU 84 N -1.36 2.38 0.00 2.79 2.02 -1.26 -3.85 118.70 119.41 2dle s GLU 84 Ca -0.04 -0.91 0.00 0.00 0.02 0.00 0.00 54.97 54.04 2dle s GLU 84 Cb -0.09 -2.52 0.00 0.00 0.10 0.00 0.00 34.13 31.62 2dle s GLU 84 CO 0.01 -0.37 0.00 0.41 0.02 0.00 0.00 175.26 175.33 2dle n GLY 85 N 4.62 -0.83 3.69 -1.39 0.00 -1.03 -5.00 105.19 105.26 2dle n GLY 85 Ca -0.17 -1.70 -0.42 0.00 0.00 0.00 0.00 46.02 43.73 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 -0.65 4.47 -0.08 2.61 2.01 -1.07 -4.68 115.64 118.25 2dle s THR 86 Ca 0.00 1.77 -0.30 0.00 0.31 0.00 0.00 61.69 63.47 2dle s THR 86 Cb 0.00 -4.14 -0.04 0.00 0.01 0.00 0.00 72.50 68.33 2dle s THR 86 CO 0.00 0.00 1.51 -2.16 -0.69 0.00 0.00 174.62 173.28 2dle s PRO 87 N 2.13 4.21 -0.37 4.92 0.04 -1.26 -3.60 135.00 141.07 2dle s PRO 87 Ca 0.53 2.01 -0.27 0.00 0.04 0.00 0.00 61.00 63.31 2dle s PRO 87 Cb -0.22 -3.86 0.02 0.00 0.04 0.00 0.00 34.50 30.47 2dle s PRO 87 CO 0.20 -0.77 1.01 0.20 0.04 0.00 0.00 177.00 177.68 2dle s GLY 88 N 2.75 1.52 0.05 0.56 0.00 0.36 -4.77 107.32 107.80 2dle s GLY 88 Ca 0.67 -0.33 -0.04 0.00 0.00 0.00 0.00 44.72 45.02 2dle s GLY 88 CO 0.25 2.16 0.26 -1.36 0.00 0.00 0.00 173.10 174.40 2dle s PHE 89 N 3.68 3.54 -0.25 1.90 0.08 -1.26 -1.41 117.98 124.26 2dle s PHE 89 Ca 0.42 0.43 -0.06 0.00 0.12 0.00 0.00 56.93 57.85 2dle s PHE 89 Cb -0.11 -1.89 0.12 0.00 -0.57 0.00 0.00 43.02 40.57 2dle s PHE 89 CO 0.20 0.58 0.49 -1.17 -0.10 0.00 0.00 175.22 175.21 2dle s LEU 90 N -2.18 -0.86 -0.07 -0.37 2.96 -1.21 -4.93 118.68 112.01 2dle s LEU 90 Ca 0.32 0.94 -0.30 0.00 -0.22 0.00 0.00 54.13 54.87 2dle s LEU 90 Cb -0.13 1.63 -0.03 0.00 0.50 0.00 0.00 46.19 48.17 2dle s LEU 90 CO 0.22 -0.25 1.17 -1.58 -1.32 0.00 0.00 176.35 174.58 2dle s GLN 91 N 2.70 4.36 0.14 1.98 0.74 -1.26 -3.88 119.66 124.43 2dle s GLN 91 Ca 0.04 1.62 0.11 0.00 0.05 0.00 0.00 55.36 57.17 2dle s GLN 91 Cb -0.13 -3.56 -0.04 0.00 1.10 0.00 0.00 33.01 30.37 2dle s GLN 91 CO -0.16 -0.44 -0.26 0.14 -0.55 0.00 0.00 175.29 174.03 2dle s VAL 92 N 2.24 2.22 -0.31 1.34 -7.23 -1.21 -5.05 120.40 112.41 2dle s VAL 92 Ca 0.54 -1.80 -0.00 0.00 -1.81 0.00 0.00 61.98 58.91 2dle s VAL 92 Cb -0.23 -1.99 0.10 0.00 0.56 0.00 0.00 36.38 34.82 2dle s VAL 92 CO 0.21 0.03 0.09 -2.28 -0.31 0.00 0.00 175.10 172.83 2dle s HIS 93 N -1.21 1.92 0.45 2.82 2.46 -1.26 -3.44 115.29 117.01 2dle s HIS 93 Ca 0.15 -1.84 -0.25 0.00 0.47 0.00 0.00 55.06 53.59 2dle s HIS 93 Cb -0.09 -1.81 -0.08 0.00 -0.13 0.00 0.00 32.58 30.46 2dle s HIS 93 CO 0.07 -0.87 1.37 0.95 -2.47 0.00 0.00 174.74 173.78 2dle s THR 94 N 1.55 2.29 0.66 0.89 -4.23 -1.25 -4.94 115.64 110.60 2dle s THR 94 Ca 0.09 0.25 -0.15 0.00 -1.18 0.00 0.00 61.69 60.70 2dle s THR 94 Cb -0.17 -3.14 0.00 0.00 1.34 0.00 0.00 72.50 70.52 2dle s THR 94 CO -0.22 0.03 1.11 -2.16 -0.54 0.00 0.00 174.62 172.84 2dle s PRO 95 N -2.44 2.78 0.07 3.99 0.04 -1.26 -1.91 135.00 136.28 2dle s PRO 95 Ca 0.61 1.38 -0.31 0.00 0.04 0.00 0.00 61.00 62.72 2dle s PRO 95 Cb -0.41 -1.95 -0.07 0.00 0.04 0.00 0.00 34.50 32.11 2dle s PRO 95 CO 0.52 -1.27 1.39 -1.25 0.04 0.00 0.00 177.00 176.44 2dle s PRO 96 N -4.13 4.31 0.23 0.56 0.04 -1.26 -2.30 135.00 132.45 2dle s PRO 96 Ca 0.67 2.03 -0.30 0.00 0.04 0.00 0.00 61.00 63.44 2dle s PRO 96 Cb -0.20 -3.37 -0.10 0.00 0.04 0.00 0.00 34.50 30.87 2dle s PRO 96 CO 0.42 -0.48 1.44 0.54 0.04 0.00 0.00 177.00 178.96 2dle s VAL 97 N 1.58 2.72 -0.14 -0.36 0.11 -1.26 -4.94 120.40 118.10 2dle s VAL 97 Ca 0.64 0.59 -0.29 0.00 -2.93 0.00 0.00 61.98 59.99 2dle s VAL 97 Cb -0.35 -3.38 -0.04 0.00 -1.53 0.00 0.00 36.38 31.09 2dle s VAL 97 CO 0.29 0.09 1.56 -2.16 -3.33 0.00 0.00 175.10 171.55 2dle s PRO 98 N -0.10 4.03 0.25 1.54 0.04 -1.26 -4.95 135.00 134.56 2dle s PRO 98 Ca 0.61 1.87 -0.30 0.00 0.04 0.00 0.00 61.00 63.21 2dle s PRO 98 Cb -0.41 -3.96 -0.14 0.00 0.04 0.00 0.00 34.50 30.02 2dle s PRO 98 CO 0.41 -1.00 1.18 0.45 0.04 0.00 0.00 177.00 178.07 2dle n SER 99 N 7.57 1.84 0.00 6.66 2.88 -1.26 -4.72 113.62 126.58 2dle n SER 99 Ca 0.17 1.16 0.00 0.00 -1.33 0.00 0.00 58.87 58.88 2dle n SER 99 Cb 0.44 -1.33 0.00 0.00 -0.75 0.00 0.00 64.21 62.57 2dle n SER 99 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dle n GLY 100 N 1.60 0.50 3.77 0.46 0.00 -1.26 -5.01 105.19 105.25 2dle n GLY 100 Ca 0.11 -1.84 -0.32 0.00 0.00 0.00 0.00 46.02 43.97 2dle n GLY 100 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dle s PRO 101 N -2.22 2.60 -0.09 1.61 0.04 -1.26 -5.07 135.00 130.60 2dle s PRO 101 Ca 0.00 1.31 -0.22 0.00 0.04 0.00 0.00 61.00 62.13 2dle s PRO 101 Cb 0.00 -1.93 0.05 0.00 0.04 0.00 0.00 34.50 32.66 2dle s PRO 101 CO 0.00 -1.40 0.53 0.45 0.04 0.00 0.00 177.00 176.62 2dle s SER 102 N -2.88 -0.49 0.24 6.66 0.15 -1.26 -5.14 113.70 110.98 2dle s SER 102 Ca 0.65 0.67 -0.22 0.00 0.70 0.00 0.00 55.95 57.75 2dle s SER 102 Cb -0.19 0.67 0.03 0.00 -1.71 0.00 0.00 66.02 64.83 2dle s SER 102 CO 0.47 -0.42 0.72 -0.94 1.20 0.00 0.00 173.24 174.27 2dle s SER 103 N -0.72 -0.31 0.00 5.45 1.04 -1.26 -5.25 113.70 112.65 2dle s SER 103 Ca -0.08 -0.47 0.00 0.00 0.48 0.00 0.00 55.95 55.88 2dle s SER 103 Cb -0.03 0.68 0.00 0.00 0.10 0.00 0.00 66.02 66.77 2dle s SER 103 CO 0.05 -1.23 0.00 0.61 0.98 0.00 0.00 173.24 173.65