#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 -0.52 0.48 1.61 0.01 -1.26 -5.17 113.70 108.86 2dle s SER 2 Ca 0.00 0.97 0.08 0.00 1.31 0.00 0.00 55.95 58.31 2dle s SER 2 Cb 0.00 0.94 0.03 0.00 0.21 0.00 0.00 66.02 67.20 2dle s SER 2 CO 0.00 -0.20 0.58 -0.44 0.41 0.00 0.00 173.24 173.59 2dle s SER 3 N 1.65 5.24 -0.33 2.44 0.01 -1.26 -5.08 113.70 116.37 2dle s SER 3 Ca -0.08 -0.71 -0.19 0.00 1.31 0.00 0.00 55.95 56.28 2dle s SER 3 Cb -0.09 -0.22 -0.01 0.00 0.21 0.00 0.00 66.02 65.92 2dle s SER 3 CO -0.13 -0.96 0.54 -0.83 0.41 0.00 0.00 173.24 172.27 2dle s GLY 4 N -4.40 1.81 -0.30 3.44 0.00 -1.26 -5.00 107.32 101.61 2dle s GLY 4 Ca 0.53 -0.90 -0.16 0.00 0.00 0.00 0.00 44.72 44.20 2dle s GLY 4 CO 0.33 1.31 1.05 -1.35 0.00 0.00 0.00 173.10 174.44 2dle s SER 5 N 1.73 -0.45 -1.09 1.64 1.04 -1.26 -5.08 113.70 110.22 2dle s SER 5 Ca 0.20 0.64 -0.23 0.00 0.48 0.00 0.00 55.95 57.04 2dle s SER 5 Cb -0.15 1.48 -0.06 0.00 0.10 0.00 0.00 66.02 67.39 2dle s SER 5 CO 0.13 -0.09 1.91 -0.44 0.98 0.00 0.00 173.24 175.73 2dle s SER 6 N 2.23 5.22 -0.52 7.02 0.01 -1.26 -4.39 113.70 122.01 2dle s SER 6 Ca -0.03 -1.37 -0.16 0.00 1.31 0.00 0.00 55.95 55.70 2dle s SER 6 Cb -0.05 -2.58 0.02 0.00 0.21 0.00 0.00 66.02 63.63 2dle s SER 6 CO -0.17 -2.81 0.52 0.61 0.41 0.00 0.00 173.24 171.80 2dle n GLY 7 N 6.18 -0.45 3.11 3.44 0.00 -1.26 -4.97 105.19 111.24 2dle n GLY 7 Ca 0.43 0.73 -0.08 0.00 0.00 0.00 0.00 46.02 47.10 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 -1.98 0.31 -0.15 4.61 0.00 -1.26 -5.10 121.76 118.18 2dle s ALA 8 Ca 0.16 -1.02 -0.29 0.00 0.00 0.00 0.00 51.96 50.81 2dle s ALA 8 Cb -0.02 0.31 -0.06 0.00 0.00 0.00 0.00 23.12 23.35 2dle s ALA 8 CO 0.72 -0.38 2.07 0.42 0.00 0.00 0.00 175.76 178.59 2dle s ILE 9 N -3.71 3.10 -0.06 0.00 1.01 -1.26 -4.96 121.20 115.31 2dle s ILE 9 Ca 0.05 0.11 0.01 0.00 0.00 0.00 0.00 60.65 60.81 2dle s ILE 9 Cb 0.06 -3.11 0.02 0.00 0.01 0.00 0.00 42.46 39.44 2dle s ILE 9 CO -0.09 -0.05 -0.06 -1.58 0.00 0.00 0.00 174.94 173.16 2dle s GLN 10 N 5.59 1.04 -0.09 2.79 0.74 -1.26 -2.38 119.66 126.10 2dle s GLN 10 Ca 0.93 -0.15 -0.23 0.00 0.05 0.00 0.00 55.36 55.96 2dle s GLN 10 Cb -0.35 -1.05 -0.03 0.00 1.10 0.00 0.00 33.01 32.68 2dle s GLN 10 CO 0.36 -0.11 0.68 0.08 -0.55 0.00 0.00 175.29 175.75 2dle s VAL 11 N 1.10 5.05 0.23 1.34 1.01 -1.21 -3.48 120.40 124.44 2dle s VAL 11 Ca -0.08 1.39 -0.04 0.00 0.00 0.00 0.00 61.98 63.25 2dle s VAL 11 Cb -0.14 -4.02 -0.03 0.00 0.00 0.00 0.00 36.38 32.20 2dle s VAL 11 CO -0.01 0.23 0.26 0.72 0.00 0.00 0.00 175.10 176.30 2dle s PHE 12 N 0.97 0.99 -0.89 5.22 -0.71 -0.66 -4.54 117.98 118.36 2dle s PHE 12 Ca 0.36 -1.22 -0.05 0.00 -1.04 0.00 0.00 56.93 54.98 2dle s PHE 12 Cb -0.17 -0.34 0.01 0.00 -1.21 0.00 0.00 43.02 41.30 2dle s PHE 12 CO 0.16 -0.79 0.64 -3.47 -1.34 0.00 0.00 175.22 170.43 2dle n ASP 13 N -0.47 -4.66 -4.66 1.98 -0.08 -1.26 0.21 116.55 107.61 2dle n ASP 13 Ca 0.01 -0.29 -0.43 0.00 -1.51 0.00 0.00 54.79 52.57 2dle n ASP 13 Cb 0.64 -3.33 -0.02 0.00 2.34 0.00 0.00 41.12 40.75 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 -3.12 4.47 0.10 5.18 1.01 -1.26 -3.82 120.40 122.95 2dle s VAL 14 Ca 0.32 1.76 -0.14 0.00 0.00 0.00 0.00 61.98 63.92 2dle s VAL 14 Cb -0.14 -4.18 0.02 0.00 0.00 0.00 0.00 36.38 32.08 2dle s VAL 14 CO 0.39 -0.20 0.33 -0.89 0.00 0.00 0.00 175.10 174.73 2dle s THR 15 N 3.43 0.09 -0.40 3.92 2.01 -0.17 -4.95 115.64 119.58 2dle s THR 15 Ca 0.49 -0.74 -0.16 0.00 0.31 0.00 0.00 61.69 61.60 2dle s THR 15 Cb -0.18 -1.16 0.01 0.00 0.01 0.00 0.00 72.50 71.19 2dle s THR 15 CO 0.11 -0.41 0.35 0.00 -0.69 0.00 0.00 174.62 173.98 2dle s ALA 16 N -3.51 3.47 0.05 7.40 0.00 -1.26 -1.02 121.76 126.88 2dle s ALA 16 Ca 0.02 -1.54 0.32 0.00 0.00 0.00 0.00 51.96 50.76 2dle s ALA 16 Cb 0.02 -2.91 1.47 0.00 0.00 0.00 0.00 23.12 21.69 2dle s ALA 16 CO -0.10 -1.40 1.97 -0.39 0.00 0.00 0.00 175.76 175.85 2dle h VAL 17 N 5.64 0.00 -1.69 0.00 -1.51 -1.86 -3.43 116.25 113.39 2dle h VAL 17 Ca -0.28 -0.30 0.08 0.00 -1.23 0.00 0.00 66.70 64.97 2dle h VAL 17 Cb 1.12 1.19 -0.25 0.00 -2.13 0.00 0.00 31.29 31.22 2dle h VAL 17 CO 0.74 0.00 0.27 0.21 -1.23 0.00 0.00 177.57 177.56 2dle s ASN 18 N -5.09 -0.64 -0.31 4.19 2.47 -1.25 -5.01 114.94 109.30 2dle s ASN 18 Ca 0.00 1.05 0.01 0.00 0.42 0.00 0.00 52.86 54.34 2dle s ASN 18 Cb 0.10 1.25 0.09 0.00 -1.45 0.00 0.00 41.25 41.23 2dle s ASN 18 CO 0.45 -0.17 0.06 -0.63 -3.72 0.00 0.00 177.10 173.09 2dle s ILE 19 N 1.33 1.46 0.36 -5.21 1.01 -1.26 -0.05 121.20 118.84 2dle s ILE 19 Ca -0.08 -1.68 0.01 0.00 0.00 0.00 0.00 60.65 58.89 2dle s ILE 19 Cb -0.04 -2.03 0.07 0.00 0.01 0.00 0.00 42.46 40.47 2dle s ILE 19 CO -0.15 -0.55 0.49 -1.20 0.00 0.00 0.00 174.94 173.53 2dle n SER 20 N 4.62 0.76 -0.02 3.58 7.64 0.36 -4.70 113.62 125.86 2dle n SER 20 Ca -0.02 -1.62 -0.16 0.00 1.01 0.00 0.00 58.87 58.09 2dle n SER 20 Cb 0.42 -0.31 -0.12 0.00 -1.01 0.00 0.00 64.21 63.20 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 -0.37 0.01 -0.31 -0.43 0.00 -1.92 -3.35 119.26 112.89 2dle h ALA 21 Ca -0.16 -0.50 -0.16 0.00 0.00 0.00 0.00 54.91 54.09 2dle h ALA 21 Cb 0.62 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.34 2dle h ALA 21 CO 0.18 0.11 -0.13 0.25 0.00 0.00 0.00 179.25 179.67 2dle n THR 22 N -4.47 2.52 -3.62 0.00 -2.24 -1.26 -3.46 114.28 101.75 2dle n THR 22 Ca -0.10 -2.80 -0.05 0.00 -2.27 0.00 0.00 64.05 58.83 2dle n THR 22 Cb 0.54 -0.31 -0.05 0.00 -2.10 0.00 0.00 70.33 68.41 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 -2.61 -0.16 -0.24 3.42 1.04 -1.25 -1.50 113.70 112.40 2dle s SER 23 Ca 0.44 0.18 -0.12 0.00 0.48 0.00 0.00 55.95 56.92 2dle s SER 23 Cb 0.40 0.13 0.08 0.00 0.10 0.00 0.00 66.02 66.73 2dle s SER 23 CO -0.01 -0.15 0.57 -1.48 0.98 0.00 0.00 173.24 173.15 2dle s LEU 24 N -1.04 -0.63 -0.17 2.42 0.05 -1.17 0.14 118.68 118.28 2dle s LEU 24 Ca 0.05 1.26 -0.15 0.00 0.05 0.00 0.00 54.13 55.33 2dle s LEU 24 Cb -0.01 1.93 -0.04 0.00 -2.05 0.00 0.00 46.19 46.02 2dle s LEU 24 CO -0.04 -0.22 0.37 -0.89 -0.55 0.00 0.00 176.35 175.02 2dle s THR 25 N 1.71 5.24 0.00 5.48 2.01 0.93 -1.40 115.64 129.62 2dle s THR 25 Ca -0.09 0.69 0.02 0.00 0.31 0.00 0.00 61.69 62.62 2dle s THR 25 Cb -0.07 -3.71 -0.04 0.00 0.01 0.00 0.00 72.50 68.70 2dle s THR 25 CO -0.17 0.32 -0.02 -0.22 -0.69 0.00 0.00 174.62 173.84 2dle s LEU 26 N 0.82 3.39 0.04 4.42 2.96 0.82 -2.71 118.68 128.42 2dle s LEU 26 Ca 0.19 -0.06 -0.03 0.00 -0.22 0.00 0.00 54.13 54.01 2dle s LEU 26 Cb -0.14 -1.95 -0.02 0.00 0.50 0.00 0.00 46.19 44.58 2dle s LEU 26 CO 0.07 0.28 0.04 0.27 -1.32 0.00 0.00 176.35 175.69 2dle s ILE 27 N -1.07 0.15 0.06 6.68 -4.36 -0.19 -1.60 121.20 120.88 2dle s ILE 27 Ca 0.19 -1.27 -0.25 0.00 -0.26 0.00 0.00 60.65 59.06 2dle s ILE 27 Cb -0.11 -0.99 0.06 0.00 1.25 0.00 0.00 42.46 42.66 2dle s ILE 27 CO 0.10 -0.70 0.59 -1.66 0.24 0.00 0.00 174.94 173.50 2dle s TRP 28 N -2.87 -0.52 -0.19 1.37 -2.14 -1.02 -1.00 118.94 112.57 2dle s TRP 28 Ca -0.03 0.59 -0.06 0.00 2.66 0.00 0.00 56.10 59.26 2dle s TRP 28 Cb 0.00 0.43 -0.03 0.00 -3.10 0.00 0.00 33.47 30.77 2dle s TRP 28 CO -0.06 -0.70 0.03 0.21 -2.66 0.00 0.00 176.95 173.77 2dle s LYS 29 N -2.55 3.78 0.03 3.25 2.20 0.13 -4.86 119.74 121.72 2dle s LYS 29 Ca -0.05 -0.44 -0.09 0.00 -0.36 0.00 0.00 55.97 55.03 2dle s LYS 29 Cb -0.01 -3.15 -0.05 0.00 -1.51 0.00 0.00 37.83 33.11 2dle s LYS 29 CO -0.02 0.12 0.34 0.08 -0.36 0.00 0.00 175.35 175.51 2dle s VAL 30 N 0.75 5.19 -0.83 4.02 1.01 -1.26 -1.65 120.40 127.62 2dle s VAL 30 Ca 0.02 0.37 -0.16 0.00 0.00 0.00 0.00 61.98 62.20 2dle s VAL 30 Cb -0.14 -3.61 -0.22 0.00 0.00 0.00 0.00 36.38 32.41 2dle s VAL 30 CO 0.02 0.36 2.14 -0.24 0.00 0.00 0.00 175.10 177.39 2dle n SER 31 N 1.13 -0.04 -3.80 3.32 2.88 -1.23 -2.92 113.62 112.97 2dle n SER 31 Ca -0.10 -1.16 -0.23 0.00 -1.33 0.00 0.00 58.87 56.05 2dle n SER 31 Cb 0.53 -1.07 -0.07 0.00 -0.75 0.00 0.00 64.21 62.84 2dle n SER 31 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2dle n ASP 32 N 11.71 0.58 -4.52 -3.46 8.00 -1.26 -4.55 116.55 123.04 2dle n ASP 32 Ca 0.51 -0.92 -0.25 0.00 0.71 0.00 0.00 54.79 54.85 2dle n ASP 32 Cb 0.31 -1.14 -0.14 0.00 -0.02 0.00 0.00 41.12 40.13 2dle n ASP 32 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 2dle n ASN 33 N -1.96 0.32 -0.09 -2.24 6.94 -1.15 -4.70 115.26 112.39 2dle n ASN 33 Ca -0.22 -0.70 -0.22 0.00 -0.02 0.00 0.00 54.58 53.42 2dle n ASN 33 Cb 0.49 -1.08 -0.12 0.00 -2.36 0.00 0.00 39.78 36.71 2dle n ASN 33 CO 0.00 0.00 0.00 1.21 -1.03 0.00 0.00 177.26 177.44 2dle n GLU 34 N 7.49 0.60 -1.10 -3.83 4.07 -1.26 -4.28 120.64 122.33 2dle n GLU 34 Ca 0.57 0.51 -0.20 0.00 -0.06 0.00 0.00 57.16 57.98 2dle n GLU 34 Cb 0.26 -1.73 0.01 0.00 -0.06 0.00 0.00 31.44 29.92 2dle n GLU 34 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 2dle n SER 35 N -4.26 6.51 -1.95 4.31 7.64 -1.26 -4.71 113.62 119.90 2dle n SER 35 Ca -0.33 -3.13 -0.08 0.00 1.01 0.00 0.00 58.87 56.34 2dle n SER 35 Cb 0.75 -1.11 -0.11 0.00 -1.01 0.00 0.00 64.21 62.73 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 0.49 4.50 -0.03 6.43 3.41 -1.26 -4.33 113.62 122.82 2dle n SER 36 Ca 0.37 -2.30 -0.14 0.00 -0.26 0.00 0.00 58.87 56.54 2dle n SER 36 Cb 0.58 -1.15 -0.10 0.00 -0.26 0.00 0.00 64.21 63.27 2dle n SER 36 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2dle h SER 37 N 2.93 0.22 -0.48 4.04 0.02 -1.96 -3.35 113.55 114.97 2dle h SER 37 Ca 0.12 -0.66 -0.35 0.00 -0.84 0.00 0.00 61.79 60.06 2dle h SER 37 Cb 1.19 -0.06 -0.32 0.00 0.14 0.00 0.00 62.40 63.34 2dle h SER 37 CO 0.20 0.84 -0.80 0.59 -1.14 0.00 0.00 176.83 176.53 2dle n ASN 38 N -4.58 3.42 -4.71 3.07 3.02 -1.26 -5.05 115.26 109.17 2dle n ASN 38 Ca -0.09 -3.43 -0.42 0.00 -0.03 0.00 0.00 54.58 50.61 2dle n ASN 38 Cb 0.43 -0.40 -0.03 0.00 -0.61 0.00 0.00 39.78 39.16 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 -3.32 3.57 0.39 3.10 1.51 -1.26 -4.22 117.35 117.12 2dle s TYR 39 Ca 0.43 1.58 0.08 0.00 -1.01 0.00 0.00 57.07 58.15 2dle s TYR 39 Cb 0.39 -3.21 -0.07 0.00 -0.11 0.00 0.00 41.96 38.96 2dle s TYR 39 CO -0.01 -0.37 0.02 0.99 -1.11 0.00 0.00 175.55 175.07 2dle s THR 40 N 1.25 2.15 -0.13 -0.71 2.01 -0.86 -4.57 115.64 114.78 2dle s THR 40 Ca 0.53 -1.98 -0.04 0.00 0.31 0.00 0.00 61.69 60.51 2dle s THR 40 Cb -0.22 -2.92 0.06 0.00 0.01 0.00 0.00 72.50 69.43 2dle s THR 40 CO 0.26 -0.05 0.19 -0.31 -0.69 0.00 0.00 174.62 174.02 2dle s TYR 41 N -2.66 -0.24 -0.59 4.92 2.02 0.68 -2.09 117.35 119.40 2dle s TYR 41 Ca 0.36 0.55 -0.16 0.00 -0.37 0.00 0.00 57.07 57.45 2dle s TYR 41 Cb 0.07 -0.26 0.14 0.00 -0.40 0.00 0.00 41.96 41.51 2dle s TYR 41 CO 0.19 -0.38 0.58 0.15 -1.57 0.00 0.00 175.55 174.51 2dle s LYS 42 N 2.32 3.08 -0.64 -0.62 1.02 -1.03 -2.35 119.74 121.52 2dle s LYS 42 Ca 0.04 -1.73 -0.22 0.00 0.02 0.00 0.00 55.97 54.07 2dle s LYS 42 Cb -0.13 -4.32 0.07 0.00 -0.52 0.00 0.00 37.83 32.93 2dle s LYS 42 CO -0.08 -1.37 0.94 0.42 -0.92 0.00 0.00 175.35 174.34 2dle s ILE 43 N 1.64 4.37 -0.42 2.17 1.09 -1.04 -3.25 121.20 125.75 2dle s ILE 43 Ca 0.07 -0.33 -0.23 0.00 -1.10 0.00 0.00 60.65 59.05 2dle s ILE 43 Cb -0.26 -4.65 0.02 0.00 -1.06 0.00 0.00 42.46 36.51 2dle s ILE 43 CO 0.02 -1.39 0.81 -2.28 -0.10 0.00 0.00 174.94 171.99 2dle s HIS 44 N 3.95 3.02 -0.20 3.97 2.46 -0.95 0.34 115.29 127.87 2dle s HIS 44 Ca 0.22 0.33 -0.20 0.00 0.47 0.00 0.00 55.06 55.88 2dle s HIS 44 Cb -0.17 -3.62 -0.03 0.00 -0.13 0.00 0.00 32.58 28.63 2dle s HIS 44 CO 0.11 -0.92 0.60 0.08 -2.47 0.00 0.00 174.74 172.14 2dle s VAL 45 N 3.30 5.04 -0.14 0.89 1.01 0.80 -2.88 120.40 128.42 2dle s VAL 45 Ca 0.32 1.11 0.01 0.00 0.00 0.00 0.00 61.98 63.42 2dle s VAL 45 Cb -0.12 -3.91 0.02 0.00 0.00 0.00 0.00 36.38 32.36 2dle s VAL 45 CO 0.21 0.12 -0.16 0.00 0.00 0.00 0.00 175.10 175.27 2dle s ALA 46 N 1.90 1.93 0.00 5.51 0.00 -0.85 -0.41 121.76 129.84 2dle s ALA 46 Ca 0.27 -0.93 0.00 0.00 0.00 0.00 0.00 51.96 51.31 2dle s ALA 46 Cb -0.16 -1.00 0.00 0.00 0.00 0.00 0.00 23.12 21.96 2dle s ALA 46 CO 0.10 -0.24 0.00 0.41 0.00 0.00 0.00 175.76 176.03 2dle n GLY 47 N 4.50 0.63 0.00 0.00 0.00 -0.55 -0.30 105.19 109.46 2dle n GLY 47 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2dle n GLY 47 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2dle n GLU 48 N 0.00 1.46 -1.05 1.61 0.28 -1.26 -4.81 120.64 116.87 2dle n GLU 48 Ca 0.00 0.00 0.05 0.00 -0.16 0.00 0.00 57.16 57.05 2dle n GLU 48 Cb 0.00 -0.98 0.09 0.00 1.43 0.00 0.00 31.44 31.98 2dle n GLU 48 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 2dle n THR 49 N -2.26 0.82 -3.59 3.84 -2.24 -1.26 -5.08 114.28 104.52 2dle n THR 49 Ca 0.00 -1.72 -0.05 0.00 -2.27 0.00 0.00 64.05 60.01 2dle n THR 49 Cb 0.48 0.49 -0.02 0.00 -2.10 0.00 0.00 70.33 69.18 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 -2.37 -0.16 0.01 3.42 2.15 -1.26 -5.19 116.67 113.27 2dle s ASP 50 Ca 0.32 0.02 -0.20 0.00 0.43 0.00 0.00 52.55 53.13 2dle s ASP 50 Cb 0.35 0.17 0.04 0.00 -0.30 0.00 0.00 42.92 43.17 2dle s ASP 50 CO -0.11 -0.26 0.44 -0.94 -0.17 0.00 0.00 175.17 174.12 2dle s SER 51 N -2.10 -0.33 0.26 -0.34 1.04 -1.26 -1.48 113.70 109.49 2dle s SER 51 Ca 0.08 0.16 -0.09 0.00 0.48 0.00 0.00 55.95 56.59 2dle s SER 51 Cb -0.01 0.42 -0.01 0.00 0.10 0.00 0.00 66.02 66.52 2dle s SER 51 CO -0.05 -0.59 0.44 -0.44 0.98 0.00 0.00 173.24 173.58 2dle s SER 52 N -1.66 0.13 -0.00 7.02 0.01 0.45 -5.01 113.70 114.64 2dle s SER 52 Ca -0.09 -1.10 0.04 0.00 1.31 0.00 0.00 55.95 56.11 2dle s SER 52 Cb -0.02 0.58 -0.01 0.00 0.21 0.00 0.00 66.02 66.78 2dle s SER 52 CO 0.02 -1.15 -0.13 0.20 0.41 0.00 0.00 173.24 172.60 2dle s ASN 53 N -3.08 1.50 0.21 2.44 -0.87 -1.26 -0.14 114.94 113.74 2dle s ASN 53 Ca 0.26 -0.26 0.08 0.00 -1.57 0.00 0.00 52.86 51.36 2dle s ASN 53 Cb 0.00 -0.15 -0.04 0.00 -0.02 0.00 0.00 41.25 41.04 2dle s ASN 53 CO 0.12 0.13 0.06 -0.22 -2.57 0.00 0.00 177.10 174.62 2dle s LEU 54 N -0.43 3.45 -0.18 0.60 2.96 0.15 -4.95 118.68 120.28 2dle s LEU 54 Ca 0.04 -0.39 -0.05 0.00 -0.22 0.00 0.00 54.13 53.51 2dle s LEU 54 Cb -0.05 -2.04 0.06 0.00 0.50 0.00 0.00 46.19 44.66 2dle s LEU 54 CO -0.00 0.04 0.09 0.54 -1.32 0.00 0.00 176.35 175.69 2dle s ASN 55 N -3.33 2.50 0.05 3.68 4.22 -1.26 -2.51 114.94 118.30 2dle s ASN 55 Ca 0.30 -0.69 -0.03 0.00 -2.14 0.00 0.00 52.86 50.30 2dle s ASN 55 Cb -0.08 -0.30 -0.03 0.00 1.28 0.00 0.00 41.25 42.12 2dle s ASN 55 CO 0.21 -0.35 0.03 0.68 -2.04 0.00 0.00 177.10 175.62 2dle s VAL 56 N 2.10 0.19 -0.44 3.54 -7.23 -0.99 -5.02 120.40 112.55 2dle s VAL 56 Ca 0.02 -1.52 0.16 0.00 -1.81 0.00 0.00 61.98 58.82 2dle s VAL 56 Cb -0.16 -1.30 0.58 0.00 0.56 0.00 0.00 36.38 36.06 2dle s VAL 56 CO -0.11 -0.84 1.49 -1.54 -0.31 0.00 0.00 175.10 173.79 2dle n SER 57 N 0.29 4.24 -4.34 4.85 3.41 -1.26 -0.23 113.62 120.57 2dle n SER 57 Ca -0.16 -2.77 -0.22 0.00 -0.26 0.00 0.00 58.87 55.46 2dle n SER 57 Cb 0.60 -0.53 -0.11 0.00 -0.26 0.00 0.00 64.21 63.91 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 -2.41 1.31 0.00 4.33 -1.05 -1.26 -4.80 118.70 114.82 2dle s GLU 58 Ca 0.43 -1.43 0.08 0.00 -0.15 0.00 0.00 54.97 53.90 2dle s GLU 58 Cb 0.32 -1.39 0.45 0.00 -0.44 0.00 0.00 34.13 33.08 2dle s GLU 58 CO 0.14 0.28 0.90 -0.35 0.95 0.00 0.00 175.26 177.18 2dle n PRO 59 N 0.26 0.49 -4.33 -4.83 -0.04 -1.26 -4.71 135.00 120.59 2dle n PRO 59 Ca -0.13 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.15 2dle n PRO 59 Cb 0.57 -1.24 -0.10 0.00 -0.04 0.00 0.00 33.50 32.69 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 1.27 -0.29 0.54 1.70 -1.26 -2.43 118.95 116.48 2dle s ARG 60 Ca 0.11 -1.52 -0.16 0.00 -0.47 0.00 0.00 55.73 53.70 2dle s ARG 60 Cb 0.05 -1.10 0.13 0.00 -0.57 0.00 0.00 34.95 33.46 2dle s ARG 60 CO 0.09 0.19 0.89 0.00 -1.08 0.00 0.00 175.30 175.39 2dle s ALA 61 N -2.76 -2.17 -0.12 7.88 0.00 -0.63 -4.92 121.76 119.04 2dle s ALA 61 Ca 0.20 2.27 -0.02 0.00 0.00 0.00 0.00 51.96 54.40 2dle s ALA 61 Cb -0.02 -1.63 -0.03 0.00 0.00 0.00 0.00 23.12 21.44 2dle s ALA 61 CO 0.06 -0.36 -0.04 0.08 0.00 0.00 0.00 175.76 175.50 2dle s VAL 62 N 1.44 3.92 -0.49 0.00 1.01 -1.26 -0.13 120.40 124.89 2dle s VAL 62 Ca -0.09 -0.37 -0.09 0.00 0.00 0.00 0.00 61.98 61.43 2dle s VAL 62 Cb -0.04 -2.67 0.13 0.00 0.00 0.00 0.00 36.38 33.80 2dle s VAL 62 CO -0.16 0.55 0.37 -0.63 0.00 0.00 0.00 175.10 175.22 2dle s ILE 63 N -0.22 4.23 1.15 2.22 -1.09 -0.49 -4.93 121.20 122.07 2dle s ILE 63 Ca 0.04 -1.87 -0.19 0.00 -2.23 0.00 0.00 60.65 56.40 2dle s ILE 63 Cb -0.13 -3.78 0.29 0.00 -1.58 0.00 0.00 42.46 37.25 2dle s ILE 63 CO 0.02 -0.79 1.02 -0.81 -1.23 0.00 0.00 174.94 173.15 2dle n PRO 64 N 4.81 -3.01 -3.97 2.79 -0.04 -1.26 -3.05 135.00 131.27 2dle n PRO 64 Ca -0.06 -1.63 -0.35 0.00 -0.04 0.00 0.00 63.50 61.41 2dle n PRO 64 Cb 0.41 -1.53 0.01 0.00 -0.04 0.00 0.00 33.50 32.35 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 -4.28 -0.66 3.91 0.55 0.00 -0.56 -4.76 105.19 99.38 2dle n GLY 65 Ca 0.14 0.27 -0.32 0.00 0.00 0.00 0.00 46.02 46.11 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 -6.72 4.33 -0.38 0.99 1.43 -1.14 -4.96 118.68 112.22 2dle s LEU 66 Ca 0.35 0.42 -0.19 0.00 -1.03 0.00 0.00 54.13 53.68 2dle s LEU 66 Cb -0.20 -3.03 0.01 0.00 0.03 0.00 0.00 46.19 43.00 2dle s LEU 66 CO 0.74 0.14 0.54 -0.60 0.23 0.00 0.00 176.35 177.40 2dle s ARG 67 N -2.45 3.45 0.92 1.70 3.00 -1.26 -4.05 118.95 120.26 2dle s ARG 67 Ca 0.36 -0.31 -0.11 0.00 -1.00 0.00 0.00 55.73 54.67 2dle s ARG 67 Cb -0.13 -3.87 0.15 0.00 0.00 0.00 0.00 34.95 31.10 2dle s ARG 67 CO 0.25 -0.78 1.10 -1.12 0.00 0.00 0.00 175.30 174.76 2dle s SER 68 N 1.83 3.05 -1.29 -2.12 0.01 -1.22 -3.76 113.70 110.20 2dle s SER 68 Ca 0.19 1.83 -0.03 0.00 1.31 0.00 0.00 55.95 59.25 2dle s SER 68 Cb -0.15 -2.42 -0.00 0.00 0.21 0.00 0.00 66.02 63.65 2dle s SER 68 CO 0.15 -2.96 0.67 -1.54 0.41 0.00 0.00 173.24 169.97 2dle n SER 69 N -4.12 -1.77 -3.69 2.44 3.41 -1.22 -4.96 113.62 103.72 2dle n SER 69 Ca 0.09 -0.87 -0.13 0.00 -0.26 0.00 0.00 58.87 57.70 2dle n SER 69 Cb 0.53 -3.86 -0.09 0.00 -0.26 0.00 0.00 64.21 60.53 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 -3.68 -0.00 0.47 6.66 2.01 -1.25 -5.04 115.64 114.81 2dle s THR 70 Ca 0.08 0.01 -0.21 0.00 0.31 0.00 0.00 61.69 61.88 2dle s THR 70 Cb -0.02 -0.76 -0.08 0.00 0.01 0.00 0.00 72.50 71.64 2dle s THR 70 CO 0.83 0.00 1.05 0.12 -0.69 0.00 0.00 174.62 175.93 2dle s PHE 71 N 0.51 3.02 -0.01 4.92 5.36 -1.26 -3.94 117.98 126.58 2dle s PHE 71 Ca -0.02 1.59 -0.05 0.00 -0.96 0.00 0.00 56.93 57.48 2dle s PHE 71 Cb -0.04 -3.11 0.00 0.00 -0.34 0.00 0.00 43.02 39.53 2dle s PHE 71 CO -0.02 -0.88 0.11 0.71 -1.46 0.00 0.00 175.22 173.68 2dle s TYR 72 N -1.89 0.04 -0.30 10.12 2.02 -1.19 -4.51 117.35 121.65 2dle s TYR 72 Ca 0.66 -0.09 0.01 0.00 -0.37 0.00 0.00 57.07 57.28 2dle s TYR 72 Cb -0.18 -0.05 0.09 0.00 -0.40 0.00 0.00 41.96 41.41 2dle s TYR 72 CO 0.22 -0.22 0.04 -0.80 -1.57 0.00 0.00 175.55 173.22 2dle s ASN 73 N -1.07 4.22 0.14 2.29 0.02 0.59 -3.42 114.94 117.70 2dle s ASN 73 Ca -0.12 -1.68 -0.06 0.00 -1.02 0.00 0.00 52.86 49.99 2dle s ASN 73 Cb -0.07 -1.21 -0.06 0.00 0.02 0.00 0.00 41.25 39.94 2dle s ASN 73 CO 0.01 -0.35 0.40 -0.63 0.02 0.00 0.00 177.10 176.55 2dle s ILE 74 N 1.31 5.13 -0.16 0.60 1.01 -1.25 -2.00 121.20 125.84 2dle s ILE 74 Ca 0.06 0.14 -0.04 0.00 0.00 0.00 0.00 60.65 60.81 2dle s ILE 74 Cb -0.18 -3.62 0.07 0.00 0.01 0.00 0.00 42.46 38.73 2dle s ILE 74 CO -0.14 0.06 0.16 -0.89 0.00 0.00 0.00 174.94 174.13 2dle s THR 75 N -1.64 -0.22 -0.36 2.92 2.01 -1.14 -3.33 115.64 113.87 2dle s THR 75 Ca 0.41 -0.00 -0.14 0.00 0.31 0.00 0.00 61.69 62.26 2dle s THR 75 Cb -0.12 -0.53 -0.00 0.00 0.01 0.00 0.00 72.50 71.85 2dle s THR 75 CO 0.23 -0.13 0.29 -0.69 -0.69 0.00 0.00 174.62 173.63 2dle s VAL 76 N 2.25 5.25 -0.21 3.82 1.01 -0.63 -2.24 120.40 129.65 2dle s VAL 76 Ca 0.04 -0.29 0.01 0.00 0.00 0.00 0.00 61.98 61.74 2dle s VAL 76 Cb -0.15 -3.81 0.03 0.00 0.00 0.00 0.00 36.38 32.45 2dle s VAL 76 CO -0.09 -0.13 -0.15 0.00 0.00 0.00 0.00 175.10 174.73 2dle s PRO 78 N 1.25 4.33 -0.22 0.00 0.04 -1.26 -2.45 135.00 136.69 2dle s PRO 78 Ca 0.01 2.00 -0.05 0.00 0.04 0.00 0.00 61.00 63.00 2dle s PRO 78 Cb -0.15 -2.98 0.08 0.00 0.04 0.00 0.00 34.50 31.48 2dle s PRO 78 CO -0.09 -0.13 0.11 0.08 0.04 0.00 0.00 177.00 177.01 2dle s VAL 79 N -1.22 -0.07 -0.69 -0.36 1.01 -0.89 -2.53 120.40 115.64 2dle s VAL 79 Ca 0.50 -0.43 -0.03 0.00 0.00 0.00 0.00 61.98 62.03 2dle s VAL 79 Cb -0.35 -0.75 0.19 0.00 0.00 0.00 0.00 36.38 35.46 2dle s VAL 79 CO 0.46 -0.47 2.42 -0.11 0.00 0.00 0.00 175.10 177.40 2dle n LEU 80 N 5.26 7.02 0.00 3.92 7.94 -1.15 -2.03 117.00 137.97 2dle n LEU 80 Ca -0.07 -4.48 0.00 0.00 -1.11 0.00 0.00 56.01 50.35 2dle n LEU 80 Cb 0.46 -1.18 0.00 0.00 0.53 0.00 0.00 43.42 43.23 2dle n LEU 80 CO 0.07 1.78 0.00 0.61 -1.11 0.00 0.00 177.39 178.75 2dle n GLY 81 N 0.35 2.05 0.77 -3.96 0.00 -1.26 -4.17 105.19 98.96 2dle n GLY 81 Ca 0.52 -0.42 0.06 0.00 0.00 0.00 0.00 46.02 46.18 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 4.16 1.48 -4.13 1.61 8.00 -1.26 -5.03 116.55 121.38 2dle n ASP 82 Ca 0.00 -3.13 -0.26 0.00 0.71 0.00 0.00 54.79 52.10 2dle n ASP 82 Cb 0.00 -0.43 -0.16 0.00 -0.02 0.00 0.00 41.12 40.51 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 -2.06 1.45 -0.27 0.53 1.01 -1.26 -5.12 121.20 115.48 2dle s ILE 83 Ca 0.33 -0.72 0.00 0.00 0.00 0.00 0.00 60.65 60.27 2dle s ILE 83 Cb 0.34 -1.26 0.05 0.00 0.01 0.00 0.00 42.46 41.60 2dle s ILE 83 CO -0.08 0.42 -0.06 -1.61 0.00 0.00 0.00 174.94 173.61 2dle s GLU 84 N 0.13 2.43 0.13 2.79 2.02 -1.26 -2.91 118.70 122.03 2dle s GLU 84 Ca -0.06 -1.25 -0.01 0.00 0.02 0.00 0.00 54.97 53.67 2dle s GLU 84 Cb -0.13 -3.02 0.03 0.00 0.10 0.00 0.00 34.13 31.11 2dle s GLU 84 CO 0.03 -0.56 0.18 0.41 0.02 0.00 0.00 175.26 175.34 2dle n GLY 85 N 4.55 -0.12 3.69 -1.39 0.00 -1.05 -5.00 105.19 105.87 2dle n GLY 85 Ca -0.14 -1.84 -0.42 0.00 0.00 0.00 0.00 46.02 43.62 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 -0.81 4.73 0.15 2.61 2.01 -1.00 -4.70 115.64 118.63 2dle s THR 86 Ca 0.11 2.00 -0.31 0.00 0.31 0.00 0.00 61.69 63.81 2dle s THR 86 Cb -0.00 -4.29 -0.08 0.00 0.01 0.00 0.00 72.50 68.14 2dle s THR 86 CO 0.08 -0.00 1.34 -2.16 -0.69 0.00 0.00 174.62 173.18 2dle s PRO 87 N 2.07 4.36 -0.30 4.92 0.04 -1.26 -3.32 135.00 141.52 2dle s PRO 87 Ca 0.49 2.04 -0.16 0.00 0.04 0.00 0.00 61.00 63.41 2dle s PRO 87 Cb -0.19 -3.23 -0.02 0.00 0.04 0.00 0.00 34.50 31.10 2dle s PRO 87 CO 0.18 -0.33 0.40 0.20 0.04 0.00 0.00 177.00 177.48 2dle s GLY 88 N 0.73 1.87 0.15 0.56 0.00 0.73 -4.86 107.32 106.50 2dle s GLY 88 Ca 0.60 -0.95 -0.02 0.00 0.00 0.00 0.00 44.72 44.36 2dle s GLY 88 CO 0.34 1.04 0.34 -1.36 0.00 0.00 0.00 173.10 173.45 2dle s PHE 89 N 2.12 3.49 -0.30 1.90 0.40 -1.26 -1.60 117.98 122.72 2dle s PHE 89 Ca 0.15 0.37 -0.10 0.00 -0.60 0.00 0.00 56.93 56.75 2dle s PHE 89 Cb -0.16 -1.87 0.15 0.00 0.51 0.00 0.00 43.02 41.65 2dle s PHE 89 CO 0.11 0.46 0.72 -1.17 0.70 0.00 0.00 175.22 176.03 2dle s LEU 90 N -2.91 -1.06 0.02 -0.37 2.96 -1.21 -4.92 118.68 111.20 2dle s LEU 90 Ca 0.38 1.30 -0.30 0.00 -0.22 0.00 0.00 54.13 55.29 2dle s LEU 90 Cb -0.12 2.14 -0.04 0.00 0.50 0.00 0.00 46.19 48.67 2dle s LEU 90 CO 0.27 -0.20 1.13 -1.10 -1.32 0.00 0.00 176.35 175.13 2dle s GLN 91 N 2.81 4.46 0.01 1.98 -0.21 -1.26 -3.87 119.66 123.58 2dle s GLN 91 Ca -0.02 1.64 0.06 0.00 0.02 0.00 0.00 55.36 57.06 2dle s GLN 91 Cb -0.11 -3.41 -0.02 0.00 1.00 0.00 0.00 33.01 30.47 2dle s GLN 91 CO -0.19 -0.22 -0.17 0.14 -2.12 0.00 0.00 175.29 172.73 2dle s VAL 92 N 1.22 1.36 -0.22 1.09 -7.23 -1.22 -5.07 120.40 110.33 2dle s VAL 92 Ca 0.56 -0.87 0.00 0.00 -1.81 0.00 0.00 61.98 59.86 2dle s VAL 92 Cb -0.26 -1.16 0.06 0.00 0.56 0.00 0.00 36.38 35.58 2dle s VAL 92 CO 0.28 0.28 -0.04 -2.28 -0.31 0.00 0.00 175.10 173.02 2dle s HIS 93 N -0.55 2.10 0.40 2.82 2.46 -1.26 -3.15 115.29 118.11 2dle s HIS 93 Ca 0.06 -1.52 -0.26 0.00 0.47 0.00 0.00 55.06 53.80 2dle s HIS 93 Cb -0.07 -1.46 -0.09 0.00 -0.13 0.00 0.00 32.58 30.83 2dle s HIS 93 CO 0.00 -0.73 1.32 0.95 -2.47 0.00 0.00 174.74 173.81 2dle s THR 94 N 1.50 2.58 0.56 0.89 -4.23 -1.25 -4.99 115.64 110.70 2dle s THR 94 Ca -0.04 0.52 -0.19 0.00 -1.18 0.00 0.00 61.69 60.81 2dle s THR 94 Cb -0.18 -3.31 -0.05 0.00 1.34 0.00 0.00 72.50 70.30 2dle s THR 94 CO -0.07 0.08 1.12 -2.16 -0.54 0.00 0.00 174.62 173.06 2dle s PRO 95 N -2.22 3.26 -0.10 3.99 0.04 -1.26 -3.39 135.00 135.32 2dle s PRO 95 Ca 0.56 1.57 -0.29 0.00 0.04 0.00 0.00 61.00 62.88 2dle s PRO 95 Cb -0.39 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.12 2dle s PRO 95 CO 0.50 -0.92 1.52 -1.25 0.04 0.00 0.00 177.00 176.90 2dle s PRO 96 N -3.44 4.18 0.02 0.56 0.04 -1.26 -3.73 135.00 131.37 2dle s PRO 96 Ca 0.72 1.99 -0.35 0.00 0.04 0.00 0.00 61.00 63.40 2dle s PRO 96 Cb -0.23 -3.92 -0.14 0.00 0.04 0.00 0.00 34.50 30.26 2dle s PRO 96 CO 0.30 -0.82 1.68 0.28 0.04 0.00 0.00 177.00 178.48 2dle n VAL 97 N 5.49 0.25 0.98 -0.36 0.31 -1.26 -4.82 118.33 118.92 2dle n VAL 97 Ca 0.16 -0.04 0.06 0.00 -0.01 0.00 0.00 64.34 64.51 2dle n VAL 97 Cb 0.44 -1.56 0.34 0.00 -0.91 0.00 0.00 33.84 32.15 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 4.72 0.49 -0.04 5.55 -0.04 -1.26 -3.32 135.00 141.10 2dle n PRO 98 Ca 0.20 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.56 2dle n PRO 98 Cb 0.27 -1.37 -0.03 0.00 -0.04 0.00 0.00 33.50 32.33 2dle n PRO 98 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dle n SER 99 N -0.87 1.07 0.00 3.54 2.88 -1.26 -5.15 113.62 113.83 2dle n SER 99 Ca 0.09 0.17 0.00 0.00 -1.33 0.00 0.00 58.87 57.80 2dle n SER 99 Cb 0.04 -0.41 0.00 0.00 -0.75 0.00 0.00 64.21 63.09 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 2.38 0.60 0.00 0.46 0.00 -1.21 -4.71 105.19 102.71 2dle n GLY 100 Ca -0.17 -2.13 0.07 0.00 0.00 0.00 0.00 46.02 43.79 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 0.00 0.06 0.04 1.61 -0.04 -1.26 -3.24 135.00 132.17 2dle n PRO 101 Ca 0.00 0.23 -0.11 0.00 -0.04 0.00 0.00 63.50 63.58 2dle n PRO 101 Cb 0.00 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 31.88 2dle n PRO 101 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2dle h SER 102 N 0.00 -0.16 -4.13 3.54 0.02 -2.02 -3.47 113.55 107.34 2dle h SER 102 Ca 0.00 -0.39 -0.32 0.00 -0.84 0.00 0.00 61.79 60.24 2dle h SER 102 Cb 0.22 0.04 -0.15 0.00 0.14 0.00 0.00 62.40 62.65 2dle h SER 102 CO 0.00 0.42 -0.69 -0.55 -1.14 0.00 0.00 176.83 174.87 2dle s SER 103 N -5.53 1.61 0.00 3.07 0.15 -1.20 -5.19 113.70 106.61 2dle s SER 103 Ca -0.13 -1.10 0.18 0.00 0.70 0.00 0.00 55.95 55.60 2dle s SER 103 Cb 0.00 0.03 0.14 0.00 -1.71 0.00 0.00 66.02 64.49 2dle s SER 103 CO 0.48 -0.44 1.06 0.61 1.20 0.00 0.00 173.24 176.15