#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 1.10 -0.17 1.61 0.15 -1.26 -5.03 113.70 110.10 2dle s SER 2 Ca 0.00 -0.17 -0.03 0.00 0.70 0.00 0.00 55.95 56.45 2dle s SER 2 Cb 0.00 -0.38 -0.05 0.00 -1.71 0.00 0.00 66.02 63.88 2dle s SER 2 CO 0.00 0.02 2.83 -1.54 1.20 0.00 0.00 173.24 175.75 2dle n SER 3 N 3.55 5.79 -3.60 5.45 3.41 -1.26 -4.65 113.62 122.31 2dle n SER 3 Ca -0.21 -2.75 -0.34 0.00 -0.26 0.00 0.00 58.87 55.31 2dle n SER 3 Cb 0.53 -1.26 -0.04 0.00 -0.26 0.00 0.00 64.21 63.19 2dle n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dle n GLY 4 N 1.53 5.14 3.70 5.00 0.00 -1.26 -5.04 105.19 114.27 2dle n GLY 4 Ca 0.34 -2.73 -0.23 0.00 0.00 0.00 0.00 46.02 43.40 2dle n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dle s SER 5 N -2.26 4.62 -0.28 1.61 0.15 -1.26 -5.14 113.70 111.14 2dle s SER 5 Ca 0.38 -0.75 -0.18 0.00 0.70 0.00 0.00 55.95 56.09 2dle s SER 5 Cb 0.13 -0.75 0.09 0.00 -1.71 0.00 0.00 66.02 63.78 2dle s SER 5 CO 0.01 -0.21 0.78 -0.94 1.20 0.00 0.00 173.24 174.08 2dle s SER 6 N -3.79 -0.78 0.00 5.45 1.04 -1.26 -5.05 113.70 109.31 2dle s SER 6 Ca 0.36 1.31 0.00 0.00 0.48 0.00 0.00 55.95 58.10 2dle s SER 6 Cb -0.03 1.33 0.00 0.00 0.10 0.00 0.00 66.02 67.41 2dle s SER 6 CO 0.22 -0.21 0.00 0.61 0.98 0.00 0.00 173.24 174.83 2dle n GLY 7 N 3.72 0.00 3.85 7.32 0.00 -1.26 -5.16 105.19 113.67 2dle n GLY 7 Ca -0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.47 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 3.84 -0.37 4.61 0.00 -1.26 -5.01 121.76 123.56 2dle s ALA 8 Ca 0.00 -0.64 -0.41 0.00 0.00 0.00 0.00 51.96 50.90 2dle s ALA 8 Cb 0.00 -2.01 -0.16 0.00 0.00 0.00 0.00 23.12 20.94 2dle s ALA 8 CO 0.00 0.53 1.88 -0.89 0.00 0.00 0.00 175.76 177.28 2dle n ILE 9 N 2.28 0.18 -3.92 0.00 5.41 -1.26 -4.89 119.36 117.15 2dle n ILE 9 Ca -0.19 -0.07 -0.18 0.00 1.00 0.00 0.00 62.75 63.30 2dle n ILE 9 Cb 0.54 -1.05 -0.16 0.00 -0.71 0.00 0.00 39.64 38.26 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 4.41 0.36 -0.16 0.38 0.74 -1.26 -2.17 119.66 121.96 2dle s GLN 10 Ca 1.06 0.08 -0.25 0.00 0.05 0.00 0.00 55.36 56.30 2dle s GLN 10 Cb -1.19 -0.57 -0.02 0.00 1.10 0.00 0.00 33.01 32.34 2dle s GLN 10 CO 0.66 -0.16 0.80 0.08 -0.55 0.00 0.00 175.29 176.12 2dle s VAL 11 N 1.17 4.91 0.16 1.34 1.01 -1.22 -3.51 120.40 124.26 2dle s VAL 11 Ca -0.08 1.58 0.00 0.00 0.00 0.00 0.00 61.98 63.49 2dle s VAL 11 Cb -0.13 -4.11 -0.04 0.00 0.00 0.00 0.00 36.38 32.09 2dle s VAL 11 CO -0.02 0.05 0.04 0.72 0.00 0.00 0.00 175.10 175.89 2dle s PHE 12 N 2.02 1.05 -0.73 5.22 -0.71 -0.38 -4.57 117.98 119.88 2dle s PHE 12 Ca 0.37 -1.15 0.00 0.00 -1.04 0.00 0.00 56.93 55.12 2dle s PHE 12 Cb -0.17 -0.60 0.00 0.00 -1.21 0.00 0.00 43.02 41.05 2dle s PHE 12 CO 0.13 -0.39 0.00 -3.47 -1.34 0.00 0.00 175.22 170.15 2dle n ASP 13 N -0.18 -3.11 -4.67 1.98 2.03 -1.26 -0.02 116.55 111.32 2dle n ASP 13 Ca -0.05 0.03 -0.42 0.00 0.52 0.00 0.00 54.79 54.86 2dle n ASP 13 Cb 0.64 -2.22 -0.03 0.00 -0.72 0.00 0.00 41.12 38.79 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 -2.39 3.76 -0.11 5.18 1.01 -1.26 -4.32 120.40 122.28 2dle s VAL 14 Ca 0.00 1.00 -0.17 0.00 0.00 0.00 0.00 61.98 62.81 2dle s VAL 14 Cb 0.00 -3.64 0.04 0.00 0.00 0.00 0.00 36.38 32.78 2dle s VAL 14 CO 0.00 -0.06 0.42 -0.89 0.00 0.00 0.00 175.10 174.57 2dle s THR 15 N 3.44 0.02 -0.84 3.92 2.01 -0.46 -4.99 115.64 118.74 2dle s THR 15 Ca 0.66 -0.14 -0.25 0.00 0.31 0.00 0.00 61.69 62.27 2dle s THR 15 Cb -0.30 -0.65 0.01 0.00 0.01 0.00 0.00 72.50 71.56 2dle s THR 15 CO 0.25 -0.08 1.61 0.00 -0.69 0.00 0.00 174.62 175.71 2dle s ALA 16 N -0.38 2.36 0.52 7.40 0.00 -1.26 -2.22 121.76 128.18 2dle s ALA 16 Ca -0.05 -1.53 0.26 0.00 0.00 0.00 0.00 51.96 50.64 2dle s ALA 16 Cb -0.03 -4.42 1.39 0.00 0.00 0.00 0.00 23.12 20.05 2dle s ALA 16 CO 0.03 -3.87 1.95 -0.24 0.00 0.00 0.00 175.76 173.63 2dle h VAL 17 N 6.73 0.68 -1.95 0.00 3.04 -1.74 -3.42 116.25 119.58 2dle h VAL 17 Ca -0.04 -0.01 -0.04 0.00 -1.01 0.00 0.00 66.70 65.60 2dle h VAL 17 Cb 1.05 0.63 -0.20 0.00 -2.01 0.00 0.00 31.29 30.76 2dle h VAL 17 CO 1.30 0.01 0.20 0.21 -1.01 0.00 0.00 177.57 178.27 2dle s ASN 18 N -6.00 -0.67 -0.03 3.17 2.47 -0.99 -4.98 114.94 107.92 2dle s ASN 18 Ca -0.05 1.03 -0.00 0.00 0.42 0.00 0.00 52.86 54.26 2dle s ASN 18 Cb 0.20 0.95 0.03 0.00 -1.45 0.00 0.00 41.25 40.99 2dle s ASN 18 CO 0.75 -0.41 0.02 -0.63 -3.72 0.00 0.00 177.10 173.11 2dle s ILE 19 N -0.42 0.04 0.27 -5.21 1.01 -1.26 0.13 121.20 115.75 2dle s ILE 19 Ca -0.05 0.20 0.01 0.00 0.00 0.00 0.00 60.65 60.80 2dle s ILE 19 Cb -0.02 -0.18 -0.00 0.00 0.01 0.00 0.00 42.46 42.27 2dle s ILE 19 CO 0.05 0.13 0.02 -0.24 0.00 0.00 0.00 174.94 174.89 2dle n SER 20 N 4.37 2.40 0.08 3.58 2.88 0.58 -4.83 113.62 122.67 2dle n SER 20 Ca -0.23 -2.23 -0.11 0.00 -1.33 0.00 0.00 58.87 54.98 2dle n SER 20 Cb 0.50 0.28 -0.05 0.00 -0.75 0.00 0.00 64.21 64.19 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 1.20 0.39 0.00 -1.46 0.00 -1.90 -3.35 119.26 114.13 2dle h ALA 21 Ca -0.22 -0.77 -0.05 0.00 0.00 0.00 0.00 54.91 53.87 2dle h ALA 21 Cb 0.70 -0.06 -0.10 0.00 0.00 0.00 0.00 17.79 18.33 2dle h ALA 21 CO 0.36 0.94 -0.52 0.25 0.00 0.00 0.00 179.25 180.28 2dle n THR 22 N -3.62 0.93 -3.65 0.00 -2.24 -1.26 -3.36 114.28 101.08 2dle n THR 22 Ca -0.05 -1.50 -0.01 0.00 -2.27 0.00 0.00 64.05 60.21 2dle n THR 22 Cb 0.87 0.30 -0.06 0.00 -2.10 0.00 0.00 70.33 69.33 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 -2.19 -0.31 -0.03 3.42 1.04 -1.25 -1.17 113.70 113.20 2dle s SER 23 Ca 0.25 0.51 -0.00 0.00 0.48 0.00 0.00 55.95 57.19 2dle s SER 23 Cb 0.25 1.01 0.03 0.00 0.10 0.00 0.00 66.02 67.41 2dle s SER 23 CO -0.05 -0.08 0.02 -1.48 0.98 0.00 0.00 173.24 172.62 2dle s LEU 24 N 1.01 0.96 -0.06 2.42 0.05 -1.17 0.21 118.68 122.11 2dle s LEU 24 Ca -0.06 -0.00 -0.15 0.00 0.05 0.00 0.00 54.13 53.97 2dle s LEU 24 Cb -0.03 -0.19 -0.05 0.00 -2.05 0.00 0.00 46.19 43.86 2dle s LEU 24 CO -0.12 -0.13 0.38 -0.89 -0.55 0.00 0.00 176.35 175.03 2dle s THR 25 N 1.27 5.14 0.22 5.48 2.01 0.35 -1.72 115.64 128.39 2dle s THR 25 Ca -0.06 0.77 0.11 0.00 0.31 0.00 0.00 61.69 62.82 2dle s THR 25 Cb -0.13 -3.69 -0.05 0.00 0.01 0.00 0.00 72.50 68.64 2dle s THR 25 CO -0.02 0.51 -0.21 -0.22 -0.69 0.00 0.00 174.62 173.98 2dle s LEU 26 N -0.51 2.55 -0.16 4.42 2.96 -1.17 -2.19 118.68 124.57 2dle s LEU 26 Ca 0.22 -0.90 -0.18 0.00 -0.22 0.00 0.00 54.13 53.06 2dle s LEU 26 Cb -0.15 -1.20 0.05 0.00 0.50 0.00 0.00 46.19 45.39 2dle s LEU 26 CO 0.11 0.09 0.49 0.27 -1.32 0.00 0.00 176.35 175.98 2dle s ILE 27 N -1.97 0.00 0.17 6.68 -4.36 -0.94 -3.10 121.20 117.67 2dle s ILE 27 Ca 0.24 -0.04 -0.06 0.00 -0.26 0.00 0.00 60.65 60.54 2dle s ILE 27 Cb -0.07 -0.70 -0.02 0.00 1.25 0.00 0.00 42.46 42.92 2dle s ILE 27 CO 0.12 -0.02 0.22 -1.66 0.24 0.00 0.00 174.94 173.84 2dle s TRP 28 N 0.05 0.63 -0.13 1.37 -2.14 -0.96 -1.36 118.94 116.40 2dle s TRP 28 Ca -0.02 -0.98 0.02 0.00 2.66 0.00 0.00 56.10 57.79 2dle s TRP 28 Cb -0.03 -0.22 0.00 0.00 -3.10 0.00 0.00 33.47 30.11 2dle s TRP 28 CO 0.01 -0.68 -0.20 0.21 -2.66 0.00 0.00 176.95 173.64 2dle s LYS 29 N -4.02 3.12 0.22 3.25 2.20 0.97 -4.85 119.74 120.63 2dle s LYS 29 Ca 0.22 -0.81 -0.03 0.00 -0.36 0.00 0.00 55.97 54.99 2dle s LYS 29 Cb 0.05 -2.47 -0.05 0.00 -1.51 0.00 0.00 37.83 33.85 2dle s LYS 29 CO 0.03 0.08 0.45 0.08 -0.36 0.00 0.00 175.35 175.62 2dle s VAL 30 N 0.62 5.13 -0.71 4.02 1.01 -1.26 -1.25 120.40 127.96 2dle s VAL 30 Ca -0.10 -0.14 -0.02 0.00 0.00 0.00 0.00 61.98 61.72 2dle s VAL 30 Cb -0.16 -3.71 0.31 0.00 0.00 0.00 0.00 36.38 32.82 2dle s VAL 30 CO 0.03 -0.18 2.17 -1.54 0.00 0.00 0.00 175.10 175.57 2dle n SER 31 N -0.61 7.32 -3.55 3.32 3.41 -1.23 -4.84 113.62 117.44 2dle n SER 31 Ca -0.03 -3.67 -0.01 0.00 -0.26 0.00 0.00 58.87 54.90 2dle n SER 31 Cb 0.53 -1.08 -0.05 0.00 -0.26 0.00 0.00 64.21 63.35 2dle n SER 31 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2dle s ASP 32 N -0.90 -0.61 0.00 4.04 -1.08 -1.26 -4.86 116.67 112.00 2dle s ASP 32 Ca 0.55 0.90 0.00 0.00 -0.52 0.00 0.00 52.55 53.48 2dle s ASP 32 Cb 0.43 1.48 0.00 0.00 -1.46 0.00 0.00 42.92 43.37 2dle s ASP 32 CO -0.28 -0.13 0.00 -0.46 0.52 0.00 0.00 175.17 174.82 2dle n ASN 33 N 4.36 3.79 -0.06 -0.34 0.23 -1.26 -4.48 115.26 117.50 2dle n ASN 33 Ca -0.14 0.00 -0.10 0.00 -0.53 0.00 0.00 54.58 53.81 2dle n ASN 33 Cb 0.55 0.60 -0.07 0.00 -2.08 0.00 0.00 39.78 38.78 2dle n ASN 33 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 2dle h GLU 34 N 0.00 -0.31 -0.94 -3.83 4.22 -2.02 -2.88 114.58 108.83 2dle h GLU 34 Ca 0.00 0.02 -0.60 0.00 0.08 0.00 0.00 59.36 58.86 2dle h GLU 34 Cb 0.31 0.07 -0.38 0.00 0.50 0.00 0.00 28.75 29.25 2dle h GLU 34 CO 0.00 -0.20 -0.27 0.43 -2.18 0.00 0.00 179.01 176.79 2dle n SER 35 N -4.49 5.79 -1.75 1.04 7.64 -1.26 -4.80 113.62 115.78 2dle n SER 35 Ca -0.03 -3.76 -0.09 0.00 1.01 0.00 0.00 58.87 56.00 2dle n SER 35 Cb 0.24 -0.56 -0.00 0.00 -1.01 0.00 0.00 64.21 62.88 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 -0.74 5.86 -0.01 6.43 3.41 -1.09 -4.29 113.62 123.19 2dle n SER 36 Ca 0.49 -2.72 -0.01 0.00 -0.26 0.00 0.00 58.87 56.37 2dle n SER 36 Cb 0.83 -1.13 -0.00 0.00 -0.26 0.00 0.00 64.21 63.64 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 1.08 0.24 -1.83 4.04 2.88 -1.26 -4.53 113.62 114.23 2dle n SER 37 Ca 0.18 0.13 -0.09 0.00 -1.33 0.00 0.00 58.87 57.76 2dle n SER 37 Cb 0.57 -0.54 -0.07 0.00 -0.75 0.00 0.00 64.21 63.42 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 -2.68 5.52 -4.70 -3.46 3.02 -1.26 -4.87 115.26 106.83 2dle n ASN 38 Ca -0.01 -2.57 -0.37 0.00 -0.03 0.00 0.00 54.58 51.59 2dle n ASN 38 Cb 0.05 -1.25 -0.08 0.00 -0.61 0.00 0.00 39.78 37.90 2dle n ASN 38 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2dle s TYR 39 N 0.07 3.41 0.46 3.10 1.51 -1.26 -4.53 117.35 120.11 2dle s TYR 39 Ca 0.36 0.52 0.07 0.00 -1.01 0.00 0.00 57.07 57.01 2dle s TYR 39 Cb 0.19 -2.38 -0.00 0.00 -0.11 0.00 0.00 41.96 39.66 2dle s TYR 39 CO -0.02 0.13 0.39 0.99 -1.11 0.00 0.00 175.55 175.93 2dle s THR 40 N 0.83 2.35 -0.18 -0.71 2.01 -0.39 -4.38 115.64 115.18 2dle s THR 40 Ca 0.15 -1.40 -0.05 0.00 0.31 0.00 0.00 61.69 60.70 2dle s THR 40 Cb -0.13 -2.75 0.09 0.00 0.01 0.00 0.00 72.50 69.72 2dle s THR 40 CO 0.05 0.00 0.34 -0.31 -0.69 0.00 0.00 174.62 174.01 2dle s TYR 41 N -2.57 -0.63 -0.51 4.92 2.02 0.11 -2.29 117.35 118.40 2dle s TYR 41 Ca 0.45 1.15 -0.17 0.00 -0.37 0.00 0.00 57.07 58.13 2dle s TYR 41 Cb -0.02 0.10 0.09 0.00 -0.40 0.00 0.00 41.96 41.73 2dle s TYR 41 CO 0.26 -0.47 0.50 0.15 -1.57 0.00 0.00 175.55 174.42 2dle s LYS 42 N 2.51 3.01 -0.57 -0.62 1.02 -0.88 -2.10 119.74 122.11 2dle s LYS 42 Ca 0.02 -1.39 -0.21 0.00 0.02 0.00 0.00 55.97 54.41 2dle s LYS 42 Cb -0.13 -4.19 0.07 0.00 -0.52 0.00 0.00 37.83 33.06 2dle s LYS 42 CO -0.11 -1.20 0.81 0.42 -0.92 0.00 0.00 175.35 174.34 2dle s ILE 43 N 1.89 4.60 -0.51 2.17 1.09 -1.14 -2.57 121.20 126.73 2dle s ILE 43 Ca 0.06 -0.36 -0.24 0.00 -1.10 0.00 0.00 60.65 59.01 2dle s ILE 43 Cb -0.25 -4.49 0.04 0.00 -1.06 0.00 0.00 42.46 36.69 2dle s ILE 43 CO 0.06 -1.11 0.91 -2.28 -0.10 0.00 0.00 174.94 172.42 2dle s HIS 44 N 3.34 2.86 -0.08 3.97 5.65 -0.95 0.08 115.29 130.16 2dle s HIS 44 Ca 0.20 0.12 -0.20 0.00 0.25 0.00 0.00 55.06 55.43 2dle s HIS 44 Cb -0.18 -3.98 -0.04 0.00 -1.18 0.00 0.00 32.58 27.20 2dle s HIS 44 CO 0.12 -1.22 0.56 0.08 -0.65 0.00 0.00 174.74 173.63 2dle s VAL 45 N 3.78 5.09 -0.23 0.89 1.01 0.41 -2.99 120.40 128.37 2dle s VAL 45 Ca 0.32 1.15 0.00 0.00 0.00 0.00 0.00 61.98 63.46 2dle s VAL 45 Cb -0.12 -3.90 0.06 0.00 0.00 0.00 0.00 36.38 32.42 2dle s VAL 45 CO 0.22 0.33 -0.05 0.00 0.00 0.00 0.00 175.10 175.59 2dle s ALA 46 N 0.48 1.88 0.00 5.51 0.00 -0.93 -0.99 121.76 127.71 2dle s ALA 46 Ca 0.30 -1.28 0.00 0.00 0.00 0.00 0.00 51.96 50.99 2dle s ALA 46 Cb -0.16 -1.39 0.00 0.00 0.00 0.00 0.00 23.12 21.56 2dle s ALA 46 CO 0.14 -1.15 0.00 0.41 0.00 0.00 0.00 175.76 175.16 2dle n GLY 47 N 4.71 0.78 0.26 0.00 0.00 -1.14 -1.55 105.19 108.26 2dle n GLY 47 Ca -0.12 -0.32 -0.05 0.00 0.00 0.00 0.00 46.02 45.53 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 0.14 0.02 1.61 -0.58 -1.26 -4.82 120.64 115.75 2dle n GLU 48 Ca 0.00 0.04 -0.08 0.00 -0.42 0.00 0.00 57.16 56.70 2dle n GLU 48 Cb 0.00 -1.00 -0.06 0.00 -0.57 0.00 0.00 31.44 29.81 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 -0.07 0.64 -4.19 2.62 1.35 -1.98 -3.49 112.91 107.79 2dle h THR 49 Ca -0.14 -1.24 -0.30 0.00 -0.55 0.00 0.00 66.41 64.18 2dle h THR 49 Cb 1.18 1.14 -0.08 0.00 -1.73 0.00 0.00 68.15 68.66 2dle h THR 49 CO -0.04 0.19 -0.20 -1.81 -0.25 0.00 0.00 175.52 173.41 2dle s ASP 50 N -5.56 1.05 0.30 5.36 1.01 -1.26 -5.19 116.67 112.39 2dle s ASP 50 Ca -0.09 -1.54 0.07 0.00 0.71 0.00 0.00 52.55 51.69 2dle s ASP 50 Cb -0.00 0.67 -0.06 0.00 1.01 0.00 0.00 42.92 44.54 2dle s ASP 50 CO 0.33 -1.31 -0.05 -0.94 0.21 0.00 0.00 175.17 173.42 2dle s SER 51 N -3.26 2.91 0.25 0.27 1.04 -1.26 -2.86 113.70 110.78 2dle s SER 51 Ca 0.31 -1.22 -0.13 0.00 0.48 0.00 0.00 55.95 55.39 2dle s SER 51 Cb -0.00 -0.20 -0.00 0.00 0.10 0.00 0.00 66.02 65.92 2dle s SER 51 CO 0.22 -0.36 0.49 -0.44 0.98 0.00 0.00 173.24 174.13 2dle s SER 52 N -3.49 -0.10 -0.00 7.02 0.01 -0.16 -5.02 113.70 111.95 2dle s SER 52 Ca 0.31 -0.89 0.05 0.00 1.31 0.00 0.00 55.95 56.73 2dle s SER 52 Cb 0.05 0.59 -0.01 0.00 0.21 0.00 0.00 66.02 66.85 2dle s SER 52 CO 0.13 -1.14 -0.16 0.54 0.41 0.00 0.00 173.24 173.02 2dle s ASN 53 N -3.01 1.91 0.44 2.44 4.22 -1.26 -0.44 114.94 119.24 2dle s ASN 53 Ca 0.21 -0.32 0.07 0.00 -2.14 0.00 0.00 52.86 50.68 2dle s ASN 53 Cb -0.01 -0.20 -0.02 0.00 1.28 0.00 0.00 41.25 42.30 2dle s ASN 53 CO 0.08 0.18 0.32 -0.22 -2.04 0.00 0.00 177.10 175.42 2dle s LEU 54 N -0.49 3.16 -0.18 3.54 2.96 0.11 -4.95 118.68 122.84 2dle s LEU 54 Ca 0.06 -0.96 -0.09 0.00 -0.22 0.00 0.00 54.13 52.91 2dle s LEU 54 Cb -0.06 -1.67 0.06 0.00 0.50 0.00 0.00 46.19 45.02 2dle s LEU 54 CO -0.00 -0.71 0.43 0.21 -1.32 0.00 0.00 176.35 174.96 2dle s ASN 55 N -4.08 -0.52 0.18 3.68 2.47 -1.26 -2.90 114.94 112.51 2dle s ASN 55 Ca 0.43 0.94 -0.18 0.00 0.42 0.00 0.00 52.86 54.47 2dle s ASN 55 Cb -0.01 0.84 0.03 0.00 -1.45 0.00 0.00 41.25 40.67 2dle s ASN 55 CO 0.25 -0.20 0.51 0.68 -3.72 0.00 0.00 177.10 174.62 2dle s VAL 56 N 1.50 0.03 -0.38 -5.21 -7.23 -0.89 -4.99 120.40 103.23 2dle s VAL 56 Ca -0.09 -0.66 0.15 0.00 -1.81 0.00 0.00 61.98 59.57 2dle s VAL 56 Cb -0.08 -1.44 0.49 0.00 0.56 0.00 0.00 36.38 35.90 2dle s VAL 56 CO -0.13 -0.14 1.39 -1.54 -0.31 0.00 0.00 175.10 174.37 2dle n SER 57 N -0.33 3.71 -4.29 4.85 3.41 -1.26 0.08 113.62 119.80 2dle n SER 57 Ca -0.12 -2.75 -0.18 0.00 -0.26 0.00 0.00 58.87 55.56 2dle n SER 57 Cb 0.63 -0.47 -0.10 0.00 -0.26 0.00 0.00 64.21 64.00 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 -2.36 1.16 0.00 4.33 -1.05 -1.26 -4.76 118.70 114.77 2dle s GLU 58 Ca 0.38 -1.42 0.09 0.00 -0.15 0.00 0.00 54.97 53.87 2dle s GLU 58 Cb 0.29 -0.95 0.54 0.00 -0.44 0.00 0.00 34.13 33.57 2dle s GLU 58 CO 0.11 0.16 0.98 -0.35 0.95 0.00 0.00 175.26 177.12 2dle n PRO 59 N 0.02 0.49 -4.24 -4.83 -0.04 -1.26 -4.70 135.00 120.44 2dle n PRO 59 Ca -0.11 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.17 2dle n PRO 59 Cb 0.59 -1.29 -0.11 0.00 -0.04 0.00 0.00 33.50 32.65 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 1.03 -0.30 0.54 1.04 -1.26 -2.28 118.95 115.72 2dle s ARG 60 Ca 0.14 -1.25 -0.13 0.00 -1.04 0.00 0.00 55.73 53.45 2dle s ARG 60 Cb 0.06 -0.91 0.16 0.00 -2.04 0.00 0.00 34.95 32.22 2dle s ARG 60 CO 0.10 0.17 0.86 0.00 -0.04 0.00 0.00 175.30 176.40 2dle s ALA 61 N -2.17 -2.51 -0.06 7.88 0.00 -1.18 -4.90 121.76 118.81 2dle s ALA 61 Ca 0.09 2.10 -0.15 0.00 0.00 0.00 0.00 51.96 54.01 2dle s ALA 61 Cb -0.05 -2.00 -0.05 0.00 0.00 0.00 0.00 23.12 21.02 2dle s ALA 61 CO 0.03 -0.99 0.38 0.08 0.00 0.00 0.00 175.76 175.26 2dle s VAL 62 N 2.64 5.14 -0.50 0.00 1.01 -1.26 -3.02 120.40 124.41 2dle s VAL 62 Ca -0.02 0.76 -0.11 0.00 0.00 0.00 0.00 61.98 62.61 2dle s VAL 62 Cb -0.09 -3.69 0.13 0.00 0.00 0.00 0.00 36.38 32.73 2dle s VAL 62 CO -0.18 0.51 0.39 -0.63 0.00 0.00 0.00 175.10 175.19 2dle s ILE 63 N -0.54 4.46 1.18 2.22 -1.09 -0.70 -4.93 121.20 121.81 2dle s ILE 63 Ca 0.22 -1.76 -0.20 0.00 -2.23 0.00 0.00 60.65 56.69 2dle s ILE 63 Cb -0.15 -3.92 0.29 0.00 -1.58 0.00 0.00 42.46 37.10 2dle s ILE 63 CO 0.11 -0.81 1.05 -0.81 -1.23 0.00 0.00 174.94 173.24 2dle n PRO 64 N 4.94 -3.07 -4.06 2.79 -0.04 -1.26 -3.03 135.00 131.28 2dle n PRO 64 Ca -0.09 -1.67 -0.43 0.00 -0.04 0.00 0.00 63.50 61.27 2dle n PRO 64 Cb 0.41 -1.57 0.02 0.00 -0.04 0.00 0.00 33.50 32.31 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 -4.46 -0.75 4.01 0.55 0.00 -0.32 -4.76 105.19 99.45 2dle n GLY 65 Ca 0.15 0.30 -0.19 0.00 0.00 0.00 0.00 46.02 46.28 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 -7.23 3.40 0.13 0.99 1.43 -1.02 -4.96 118.68 111.41 2dle s LEU 66 Ca 0.44 -0.42 0.06 0.00 -1.03 0.00 0.00 54.13 53.18 2dle s LEU 66 Cb -0.25 -2.43 -0.04 0.00 0.03 0.00 0.00 46.19 43.51 2dle s LEU 66 CO 0.88 -1.06 0.01 -0.13 0.23 0.00 0.00 176.35 176.28 2dle s ARG 67 N -4.57 2.52 0.05 1.70 0.52 -1.21 -4.22 118.95 113.72 2dle s ARG 67 Ca 0.58 -0.95 -0.05 0.00 -0.52 0.00 0.00 55.73 54.78 2dle s ARG 67 Cb -0.09 -2.47 -0.05 0.00 0.52 0.00 0.00 34.95 32.86 2dle s ARG 67 CO 0.36 0.50 0.29 -1.54 0.02 0.00 0.00 175.30 174.93 2dle s SER 68 N -2.64 6.48 -1.28 0.23 1.04 -1.24 -4.42 113.70 111.86 2dle s SER 68 Ca 0.27 0.54 -0.02 0.00 0.48 0.00 0.00 55.95 57.21 2dle s SER 68 Cb -0.11 -2.08 -0.00 0.00 0.10 0.00 0.00 66.02 63.93 2dle s SER 68 CO 0.19 0.20 0.71 -1.20 0.98 0.00 0.00 173.24 174.11 2dle n SER 69 N 0.78 -1.73 -3.80 7.02 7.64 -1.14 -4.94 113.62 117.45 2dle n SER 69 Ca -0.08 -0.84 -0.13 0.00 1.01 0.00 0.00 58.87 58.83 2dle n SER 69 Cb 0.52 -4.03 -0.13 0.00 -1.01 0.00 0.00 64.21 59.57 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 -3.65 -0.01 0.47 0.44 2.01 -1.26 -5.02 115.64 108.62 2dle s THR 70 Ca 0.06 0.04 -0.22 0.00 0.31 0.00 0.00 61.69 61.89 2dle s THR 70 Cb -0.02 -0.23 -0.08 0.00 0.01 0.00 0.00 72.50 72.18 2dle s THR 70 CO 0.81 0.02 1.08 0.12 -0.69 0.00 0.00 174.62 175.96 2dle s PHE 71 N 0.33 2.99 0.01 4.92 5.36 -1.26 -3.72 117.98 126.61 2dle s PHE 71 Ca -0.02 1.58 -0.06 0.00 -0.96 0.00 0.00 56.93 57.47 2dle s PHE 71 Cb -0.03 -3.18 -0.00 0.00 -0.34 0.00 0.00 43.02 39.47 2dle s PHE 71 CO -0.01 -1.02 0.10 0.71 -1.46 0.00 0.00 175.22 173.53 2dle s TYR 72 N -1.78 0.09 -0.30 10.12 2.02 -1.20 -4.56 117.35 121.73 2dle s TYR 72 Ca 0.65 -0.23 0.01 0.00 -0.37 0.00 0.00 57.07 57.14 2dle s TYR 72 Cb -0.21 -0.08 0.09 0.00 -0.40 0.00 0.00 41.96 41.36 2dle s TYR 72 CO 0.26 -0.27 0.04 -0.80 -1.57 0.00 0.00 175.55 173.21 2dle s ASN 73 N -1.41 4.26 -0.04 2.29 0.01 -0.59 -3.53 114.94 115.93 2dle s ASN 73 Ca -0.15 -1.71 -0.09 0.00 -0.71 0.00 0.00 52.86 50.20 2dle s ASN 73 Cb -0.08 -1.24 -0.05 0.00 0.41 0.00 0.00 41.25 40.29 2dle s ASN 73 CO 0.01 -0.35 0.25 -0.63 -1.51 0.00 0.00 177.10 174.87 2dle s ILE 74 N 1.28 5.31 -0.12 0.60 1.01 -1.25 -2.19 121.20 125.85 2dle s ILE 74 Ca 0.06 0.34 -0.04 0.00 0.00 0.00 0.00 60.65 61.01 2dle s ILE 74 Cb -0.18 -3.54 0.05 0.00 0.01 0.00 0.00 42.46 38.80 2dle s ILE 74 CO -0.14 0.51 0.07 -0.89 0.00 0.00 0.00 174.94 174.49 2dle s THR 75 N -1.15 -0.05 -0.40 2.92 2.01 -1.16 -2.93 115.64 114.87 2dle s THR 75 Ca 0.22 0.03 -0.20 0.00 0.31 0.00 0.00 61.69 62.06 2dle s THR 75 Cb -0.14 -0.45 0.01 0.00 0.01 0.00 0.00 72.50 71.94 2dle s THR 75 CO 0.11 -0.10 0.59 -0.69 -0.69 0.00 0.00 174.62 173.85 2dle s VAL 76 N 2.13 4.90 -0.34 3.82 1.01 -0.43 -2.25 120.40 129.25 2dle s VAL 76 Ca 0.03 0.20 -0.05 0.00 0.00 0.00 0.00 61.98 62.16 2dle s VAL 76 Cb -0.15 -4.12 0.05 0.00 0.00 0.00 0.00 36.38 32.17 2dle s VAL 76 CO -0.07 -0.45 0.09 0.00 0.00 0.00 0.00 175.10 174.68 2dle s PRO 78 N 1.35 4.38 -0.21 0.00 0.04 -1.26 -2.07 135.00 137.23 2dle s PRO 78 Ca -0.02 2.05 -0.05 0.00 0.04 0.00 0.00 61.00 63.02 2dle s PRO 78 Cb -0.20 -3.20 0.07 0.00 0.04 0.00 0.00 34.50 31.21 2dle s PRO 78 CO 0.01 -0.27 0.11 0.08 0.04 0.00 0.00 177.00 176.97 2dle s VAL 79 N 0.22 -0.09 -0.02 -0.36 1.01 -0.97 -2.42 120.40 117.76 2dle s VAL 79 Ca 0.57 -0.34 -0.09 0.00 0.00 0.00 0.00 61.98 62.13 2dle s VAL 79 Cb -0.36 -0.69 -0.30 0.00 0.00 0.00 0.00 36.38 35.02 2dle s VAL 79 CO 0.37 -0.41 0.76 0.25 0.00 0.00 0.00 175.10 176.07 2dle h LEU 80 N 8.41 0.57 0.00 3.92 7.12 -1.80 -1.01 115.31 132.52 2dle h LEU 80 Ca -0.16 -0.80 0.00 0.00 0.13 0.00 0.00 57.88 57.04 2dle h LEU 80 Cb 1.11 -0.18 0.00 0.00 -0.53 0.00 0.00 40.66 41.05 2dle h LEU 80 CO 0.33 1.67 0.00 0.61 -0.13 0.00 0.00 178.44 180.92 2dle n GLY 81 N 1.79 -1.81 0.23 3.75 0.00 -1.26 -4.74 105.19 103.15 2dle n GLY 81 Ca -0.21 0.52 0.04 0.00 0.00 0.00 0.00 46.02 46.36 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 -2.71 1.12 -4.23 1.61 8.00 -1.26 -5.05 116.55 114.03 2dle n ASP 82 Ca 0.00 -2.33 -0.26 0.00 0.71 0.00 0.00 54.79 52.92 2dle n ASP 82 Cb 0.00 -0.25 -0.15 0.00 -0.02 0.00 0.00 41.12 40.70 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 -1.23 1.60 -0.47 0.53 1.01 -1.26 -5.10 121.20 116.27 2dle s ILE 83 Ca 0.13 -1.05 0.04 0.00 0.00 0.00 0.00 60.65 59.76 2dle s ILE 83 Cb 0.11 -1.37 0.12 0.00 0.01 0.00 0.00 42.46 41.33 2dle s ILE 83 CO 0.01 0.29 0.22 -1.61 0.00 0.00 0.00 174.94 173.85 2dle s GLU 84 N -0.90 1.79 0.61 2.79 2.02 -1.26 -3.81 118.70 119.94 2dle s GLU 84 Ca 0.07 -2.40 -0.09 0.00 0.02 0.00 0.00 54.97 52.57 2dle s GLU 84 Cb -0.08 -3.18 0.14 0.00 0.10 0.00 0.00 34.13 31.11 2dle s GLU 84 CO 0.01 -1.08 0.32 0.41 0.02 0.00 0.00 175.26 174.93 2dle n GLY 85 N 3.39 -2.83 3.68 -1.39 0.00 -1.02 -4.86 105.19 102.17 2dle n GLY 85 Ca 0.05 -0.92 -0.42 0.00 0.00 0.00 0.00 46.02 44.72 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 -1.39 4.05 -0.08 2.61 2.01 -0.92 -4.63 115.64 117.29 2dle s THR 86 Ca 0.24 1.37 -0.30 0.00 0.31 0.00 0.00 61.69 63.32 2dle s THR 86 Cb -0.04 -3.88 -0.04 0.00 0.01 0.00 0.00 72.50 68.54 2dle s THR 86 CO 0.21 -0.04 1.51 -2.16 -0.69 0.00 0.00 174.62 173.45 2dle s PRO 87 N 2.70 4.21 -0.26 4.92 0.04 -1.26 -3.36 135.00 141.98 2dle s PRO 87 Ca 0.59 2.01 -0.26 0.00 0.04 0.00 0.00 61.00 63.38 2dle s PRO 87 Cb -0.27 -3.86 0.00 0.00 0.04 0.00 0.00 34.50 30.42 2dle s PRO 87 CO 0.22 -0.77 0.91 0.20 0.04 0.00 0.00 177.00 177.60 2dle s GLY 88 N 2.73 1.71 -0.04 0.56 0.00 -0.01 -4.81 107.32 107.45 2dle s GLY 88 Ca 0.67 -0.10 -0.03 0.00 0.00 0.00 0.00 44.72 45.25 2dle s GLY 88 CO 0.25 1.95 0.14 -1.36 0.00 0.00 0.00 173.10 174.09 2dle s PHE 89 N 3.06 3.50 -0.25 1.90 0.40 -1.26 -1.31 117.98 124.02 2dle s PHE 89 Ca 0.38 0.37 -0.06 0.00 -0.60 0.00 0.00 56.93 57.02 2dle s PHE 89 Cb -0.15 -1.84 0.12 0.00 0.51 0.00 0.00 43.02 41.66 2dle s PHE 89 CO 0.09 0.65 0.51 -1.17 0.70 0.00 0.00 175.22 175.99 2dle s LEU 90 N -1.60 -0.89 0.05 -0.37 2.96 -1.15 -5.00 118.68 112.67 2dle s LEU 90 Ca 0.22 1.04 -0.30 0.00 -0.22 0.00 0.00 54.13 54.87 2dle s LEU 90 Cb -0.12 1.71 -0.05 0.00 0.50 0.00 0.00 46.19 48.23 2dle s LEU 90 CO 0.13 -0.24 1.11 -1.10 -1.32 0.00 0.00 176.35 174.93 2dle s GLN 91 N 2.72 4.49 0.14 1.98 -0.21 -1.26 -3.83 119.66 123.70 2dle s GLN 91 Ca 0.02 1.64 0.07 0.00 0.02 0.00 0.00 55.36 57.11 2dle s GLN 91 Cb -0.13 -3.38 -0.04 0.00 1.00 0.00 0.00 33.01 30.46 2dle s GLN 91 CO -0.16 -0.15 -0.15 0.14 -2.12 0.00 0.00 175.29 172.85 2dle s VAL 92 N 0.91 1.51 -0.19 1.09 -7.23 -1.23 -5.05 120.40 110.20 2dle s VAL 92 Ca 0.55 -1.80 -0.03 0.00 -1.81 0.00 0.00 61.98 58.89 2dle s VAL 92 Cb -0.26 -1.66 0.06 0.00 0.56 0.00 0.00 36.38 35.08 2dle s VAL 92 CO 0.29 -0.39 0.04 -1.00 -0.31 0.00 0.00 175.10 173.74 2dle s HIS 93 N -2.15 0.88 0.39 2.82 3.76 -1.26 -3.26 115.29 116.47 2dle s HIS 93 Ca 0.12 -0.75 -0.28 0.00 -0.15 0.00 0.00 55.06 54.00 2dle s HIS 93 Cb -0.05 -0.97 -0.10 0.00 1.11 0.00 0.00 32.58 32.57 2dle s HIS 93 CO 0.04 -0.58 1.45 0.95 -0.85 0.00 0.00 174.74 175.75 2dle s THR 94 N 1.91 2.13 0.47 1.30 -4.23 -1.24 -4.97 115.64 111.01 2dle s THR 94 Ca -0.00 0.13 -0.22 0.00 -1.18 0.00 0.00 61.69 60.41 2dle s THR 94 Cb -0.17 -3.08 -0.07 0.00 1.34 0.00 0.00 72.50 70.52 2dle s THR 94 CO -0.08 0.03 1.16 -2.16 -0.54 0.00 0.00 174.62 173.03 2dle s PRO 95 N -2.13 3.69 -0.04 3.99 0.04 -1.26 -2.87 135.00 136.43 2dle s PRO 95 Ca 0.54 1.74 -0.30 0.00 0.04 0.00 0.00 61.00 63.02 2dle s PRO 95 Cb -0.45 -2.34 -0.05 0.00 0.04 0.00 0.00 34.50 31.70 2dle s PRO 95 CO 0.61 -0.60 1.48 -1.25 0.04 0.00 0.00 177.00 177.28 2dle s PRO 96 N -2.80 4.24 0.09 0.56 0.04 -1.26 -3.80 135.00 132.07 2dle s PRO 96 Ca 0.65 2.02 -0.34 0.00 0.04 0.00 0.00 61.00 63.36 2dle s PRO 96 Cb -0.28 -3.73 -0.14 0.00 0.04 0.00 0.00 34.50 30.39 2dle s PRO 96 CO 0.33 -0.69 1.60 0.28 0.04 0.00 0.00 177.00 178.56 2dle n VAL 97 N 5.03 0.11 -2.24 -0.36 0.31 -1.26 -4.92 118.33 115.00 2dle n VAL 97 Ca 0.15 -0.02 -0.41 0.00 -0.01 0.00 0.00 64.34 64.05 2dle n VAL 97 Cb 0.43 -1.49 -0.03 0.00 -0.91 0.00 0.00 33.84 31.84 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 1.48 4.44 0.55 5.55 0.04 -1.26 -5.03 135.00 140.76 2dle s PRO 98 Ca 0.83 2.05 -0.07 0.00 0.04 0.00 0.00 61.00 63.85 2dle s PRO 98 Cb -0.73 -3.15 -0.03 0.00 0.04 0.00 0.00 34.50 30.63 2dle s PRO 98 CO 0.42 -0.12 0.88 -1.54 0.04 0.00 0.00 177.00 176.69 2dle s SER 99 N -0.25 6.12 -0.03 6.66 1.04 -1.26 -5.08 113.70 120.89 2dle s SER 99 Ca 0.51 1.05 0.02 0.00 0.48 0.00 0.00 55.95 58.00 2dle s SER 99 Cb -0.37 -2.22 -0.03 0.00 0.10 0.00 0.00 66.02 63.50 2dle s SER 99 CO 0.44 -0.76 -0.06 -0.83 0.98 0.00 0.00 173.24 173.01 2dle s GLY 100 N -4.17 1.74 0.33 7.32 0.00 -1.26 -5.00 107.32 106.27 2dle s GLY 100 Ca 0.51 -0.95 0.26 0.00 0.00 0.00 0.00 44.72 44.54 2dle s GLY 100 CO 0.48 -0.77 1.77 -0.56 0.00 0.00 0.00 173.10 174.02 2dle h PRO 101 N 4.87 0.00 -5.01 2.90 0.13 -2.07 -3.44 132.00 129.37 2dle h PRO 101 Ca -0.49 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.18 2dle h PRO 101 Cb 1.17 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.21 2dle h PRO 101 CO 0.53 0.00 1.82 0.45 -0.23 0.00 0.00 178.00 180.57 2dle n SER 102 N -2.43 -0.10 -4.00 1.44 2.88 -1.26 -4.86 113.62 105.30 2dle n SER 102 Ca 0.02 -0.02 -0.18 0.00 -1.33 0.00 0.00 58.87 57.35 2dle n SER 102 Cb 0.24 -0.84 -0.15 0.00 -0.75 0.00 0.00 64.21 62.71 2dle n SER 102 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dle s SER 103 N 6.85 0.94 0.00 -3.46 0.01 -1.26 -5.28 113.70 111.50 2dle s SER 103 Ca 1.34 -0.14 0.00 0.00 1.31 0.00 0.00 55.95 58.46 2dle s SER 103 Cb -1.13 -0.13 0.00 0.00 0.21 0.00 0.00 66.02 64.97 2dle s SER 103 CO 0.50 0.09 0.00 0.61 0.41 0.00 0.00 173.24 174.85