#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 6.50 0.77 1.61 0.15 -1.26 -5.03 113.70 116.45 2dle s SER 2 Ca 0.00 1.06 -0.17 0.00 0.70 0.00 0.00 55.95 57.54 2dle s SER 2 Cb 0.00 -2.29 -0.10 0.00 -1.71 0.00 0.00 66.02 61.92 2dle s SER 2 CO 0.00 -0.37 -0.08 -1.54 1.20 0.00 0.00 173.24 172.46 2dle n SER 3 N -1.25 -3.46 0.00 5.45 3.41 -1.26 -4.97 113.62 111.53 2dle n SER 3 Ca 0.02 0.45 0.00 0.00 -0.26 0.00 0.00 58.87 59.08 2dle n SER 3 Cb 0.54 -0.97 0.00 0.00 -0.26 0.00 0.00 64.21 63.51 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 2.44 -2.40 3.52 5.00 0.00 -1.26 -4.92 105.19 107.57 2dle n GLY 4 Ca 0.05 -0.15 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.88 4.75 0.01 1.61 0.01 -1.26 -5.11 113.70 111.84 2dle s SER 5 Ca 0.00 -0.09 -0.17 0.00 1.31 0.00 0.00 55.95 57.00 2dle s SER 5 Cb 0.00 -1.61 -0.06 0.00 0.21 0.00 0.00 66.02 64.56 2dle s SER 5 CO 0.00 0.23 0.47 -0.94 0.41 0.00 0.00 173.24 173.41 2dle s SER 6 N -0.01 6.88 0.01 2.44 1.04 -1.26 -4.82 113.70 117.98 2dle s SER 6 Ca 0.00 1.05 0.00 0.00 0.48 0.00 0.00 55.95 57.48 2dle s SER 6 Cb -0.13 -2.29 0.00 0.00 0.10 0.00 0.00 66.02 63.69 2dle s SER 6 CO 0.03 0.27 0.00 0.61 0.98 0.00 0.00 173.24 175.12 2dle n GLY 7 N 1.97 -3.53 3.36 7.32 0.00 -1.26 -5.01 105.19 108.04 2dle n GLY 7 Ca -0.12 -0.47 -0.36 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.12 3.00 -0.20 4.61 0.00 -1.26 -5.01 121.76 122.77 2dle s ALA 8 Ca 0.00 -1.23 -0.38 0.00 0.00 0.00 0.00 51.96 50.34 2dle s ALA 8 Cb 0.00 -1.95 -0.18 0.00 0.00 0.00 0.00 23.12 21.00 2dle s ALA 8 CO 0.00 -0.58 1.16 -0.89 0.00 0.00 0.00 175.76 175.45 2dle n ILE 9 N 4.86 0.00 -3.82 0.00 5.41 -1.26 -4.86 119.36 119.68 2dle n ILE 9 Ca -0.17 0.00 -0.12 0.00 1.00 0.00 0.00 62.75 63.46 2dle n ILE 9 Cb 0.50 -0.20 -0.12 0.00 -0.71 0.00 0.00 39.64 39.12 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 1.18 0.28 -0.21 0.38 0.74 -1.26 -2.25 119.66 118.51 2dle s GLN 10 Ca 0.87 0.11 -0.10 0.00 0.05 0.00 0.00 55.36 56.28 2dle s GLN 10 Cb -1.22 0.13 -0.05 0.00 1.10 0.00 0.00 33.01 32.97 2dle s GLN 10 CO 0.61 -0.05 0.15 0.08 -0.55 0.00 0.00 175.29 175.53 2dle s VAL 11 N -0.23 5.39 0.19 1.34 1.01 -1.22 -3.36 120.40 123.51 2dle s VAL 11 Ca -0.03 0.21 -0.00 0.00 0.00 0.00 0.00 61.98 62.16 2dle s VAL 11 Cb -0.03 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.82 2dle s VAL 11 CO 0.01 0.40 0.09 0.72 0.00 0.00 0.00 175.10 176.32 2dle s PHE 12 N 0.61 1.16 -0.81 5.22 -0.71 -0.51 -4.60 117.98 118.34 2dle s PHE 12 Ca 0.08 -1.26 0.00 0.00 -1.04 0.00 0.00 56.93 54.71 2dle s PHE 12 Cb -0.12 -0.62 0.00 0.00 -1.21 0.00 0.00 43.02 41.07 2dle s PHE 12 CO 0.01 -0.50 0.00 -3.47 -1.34 0.00 0.00 175.22 169.92 2dle n ASP 13 N -0.26 -3.35 -4.60 1.98 2.03 -1.26 0.20 116.55 111.29 2dle n ASP 13 Ca -0.01 0.05 -0.43 0.00 0.52 0.00 0.00 54.79 54.91 2dle n ASP 13 Cb 0.65 -2.39 -0.02 0.00 -0.72 0.00 0.00 41.12 38.64 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 -2.42 3.65 0.02 5.18 1.01 -1.26 -4.27 120.40 122.31 2dle s VAL 14 Ca 0.00 0.66 -0.01 0.00 0.00 0.00 0.00 61.98 62.63 2dle s VAL 14 Cb 0.00 -3.88 -0.02 0.00 0.00 0.00 0.00 36.38 32.48 2dle s VAL 14 CO 0.00 -0.56 0.00 -0.89 0.00 0.00 0.00 175.10 173.65 2dle s THR 15 N 6.28 0.11 -0.89 3.92 2.01 -0.53 -4.94 115.64 121.60 2dle s THR 15 Ca 0.72 -0.89 -0.24 0.00 0.31 0.00 0.00 61.69 61.59 2dle s THR 15 Cb -0.19 -0.32 0.05 0.00 0.01 0.00 0.00 72.50 72.05 2dle s THR 15 CO 0.33 -0.49 1.34 0.00 -0.69 0.00 0.00 174.62 175.11 2dle s ALA 16 N -1.50 2.79 0.31 7.40 0.00 -1.26 -1.85 121.76 127.65 2dle s ALA 16 Ca -0.15 -1.92 0.03 0.00 0.00 0.00 0.00 51.96 49.92 2dle s ALA 16 Cb -0.09 -4.36 0.62 0.00 0.00 0.00 0.00 23.12 19.29 2dle s ALA 16 CO -0.01 -3.40 1.87 -0.24 0.00 0.00 0.00 175.76 173.98 2dle h VAL 17 N 6.40 0.95 -3.25 0.00 3.04 -1.83 -3.43 116.25 118.13 2dle h VAL 17 Ca -0.02 -0.31 -0.16 0.00 -1.01 0.00 0.00 66.70 65.20 2dle h VAL 17 Cb 1.03 -0.05 -0.25 0.00 -2.01 0.00 0.00 31.29 30.01 2dle h VAL 17 CO 1.34 0.17 -0.46 0.21 -1.01 0.00 0.00 177.57 177.82 2dle s ASN 18 N -5.83 -0.18 -0.03 3.17 2.47 -1.11 -4.98 114.94 108.45 2dle s ASN 18 Ca -0.11 0.30 -0.00 0.00 0.42 0.00 0.00 52.86 53.47 2dle s ASN 18 Cb 0.21 0.40 0.03 0.00 -1.45 0.00 0.00 41.25 40.44 2dle s ASN 18 CO 0.80 -0.15 0.03 -0.63 -3.72 0.00 0.00 177.10 173.42 2dle s ILE 19 N -0.24 0.01 0.29 -5.21 1.01 -1.26 0.10 121.20 115.91 2dle s ILE 19 Ca -0.03 0.21 0.01 0.00 0.00 0.00 0.00 60.65 60.84 2dle s ILE 19 Cb -0.03 -0.16 -0.01 0.00 0.01 0.00 0.00 42.46 42.28 2dle s ILE 19 CO 0.01 0.13 0.05 -0.24 0.00 0.00 0.00 174.94 174.88 2dle n SER 20 N 4.40 1.95 0.09 3.58 2.88 0.64 -4.84 113.62 122.32 2dle n SER 20 Ca -0.23 -2.42 -0.02 0.00 -1.33 0.00 0.00 58.87 54.87 2dle n SER 20 Cb 0.50 0.46 -0.05 0.00 -0.75 0.00 0.00 64.21 64.37 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 1.31 0.52 0.00 -1.46 0.00 -1.92 -3.36 119.26 114.36 2dle h ALA 21 Ca -0.24 -0.71 -0.02 0.00 0.00 0.00 0.00 54.91 53.95 2dle h ALA 21 Cb 0.80 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 2dle h ALA 21 CO 0.38 0.95 -0.40 0.25 0.00 0.00 0.00 179.25 180.44 2dle n THR 22 N -3.27 0.71 -3.64 0.00 -2.24 -1.26 -3.68 114.28 100.90 2dle n THR 22 Ca 0.00 -0.98 -0.05 0.00 -2.27 0.00 0.00 64.05 60.75 2dle n THR 22 Cb 0.84 0.28 -0.07 0.00 -2.10 0.00 0.00 70.33 69.28 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 -1.80 -0.20 -0.14 3.42 1.04 -1.25 -2.02 113.70 112.73 2dle s SER 23 Ca 0.15 0.37 -0.09 0.00 0.48 0.00 0.00 55.95 56.86 2dle s SER 23 Cb 0.14 0.37 0.05 0.00 0.10 0.00 0.00 66.02 66.68 2dle s SER 23 CO -0.01 -0.08 0.35 -1.48 0.98 0.00 0.00 173.24 173.01 2dle s LEU 24 N -0.02 0.24 0.02 2.42 0.05 -1.18 0.23 118.68 120.44 2dle s LEU 24 Ca 0.06 0.75 -0.06 0.00 0.05 0.00 0.00 54.13 54.93 2dle s LEU 24 Cb -0.05 1.16 -0.05 0.00 -2.05 0.00 0.00 46.19 45.21 2dle s LEU 24 CO -0.11 -0.17 0.27 -0.89 -0.55 0.00 0.00 176.35 174.90 2dle s THR 25 N 1.01 5.31 0.07 5.48 2.01 0.29 -1.09 115.64 128.72 2dle s THR 25 Ca -0.07 0.11 0.07 0.00 0.31 0.00 0.00 61.69 62.11 2dle s THR 25 Cb -0.07 -3.57 -0.03 0.00 0.01 0.00 0.00 72.50 68.84 2dle s THR 25 CO -0.08 0.33 -0.19 -0.22 -0.69 0.00 0.00 174.62 173.77 2dle s LEU 26 N -1.86 2.23 -0.02 4.42 2.96 -0.96 -2.63 118.68 122.82 2dle s LEU 26 Ca 0.29 -0.59 -0.01 0.00 -0.22 0.00 0.00 54.13 53.60 2dle s LEU 26 Cb -0.13 -0.84 0.01 0.00 0.50 0.00 0.00 46.19 45.73 2dle s LEU 26 CO 0.17 0.08 0.05 0.27 -1.32 0.00 0.00 176.35 175.61 2dle s ILE 27 N -0.99 -0.02 0.04 6.68 -4.36 -0.77 -2.68 121.20 119.09 2dle s ILE 27 Ca 0.05 0.07 -0.00 0.00 -0.26 0.00 0.00 60.65 60.51 2dle s ILE 27 Cb -0.09 -0.09 -0.03 0.00 1.25 0.00 0.00 42.46 43.50 2dle s ILE 27 CO 0.03 0.03 -0.04 -1.66 0.24 0.00 0.00 174.94 173.54 2dle s TRP 28 N 0.38 0.43 -0.19 1.37 -2.14 -1.08 -1.45 118.94 116.25 2dle s TRP 28 Ca -0.03 -0.74 -0.05 0.00 2.66 0.00 0.00 56.10 57.95 2dle s TRP 28 Cb -0.04 -0.30 -0.02 0.00 -3.10 0.00 0.00 33.47 30.00 2dle s TRP 28 CO -0.01 -0.24 -0.01 0.21 -2.66 0.00 0.00 176.95 174.23 2dle s LYS 29 N -2.46 3.62 0.19 3.25 2.20 0.13 -4.86 119.74 121.81 2dle s LYS 29 Ca -0.06 -0.53 -0.03 0.00 -0.36 0.00 0.00 55.97 54.99 2dle s LYS 29 Cb -0.03 -3.02 -0.05 0.00 -1.51 0.00 0.00 37.83 33.22 2dle s LYS 29 CO -0.04 0.07 0.41 0.08 -0.36 0.00 0.00 175.35 175.51 2dle s VAL 30 N 0.83 5.16 -0.62 4.02 1.01 -1.26 -1.42 120.40 128.11 2dle s VAL 30 Ca -0.00 -0.11 -0.25 0.00 0.00 0.00 0.00 61.98 61.62 2dle s VAL 30 Cb -0.14 -3.68 0.05 0.00 0.00 0.00 0.00 36.38 32.60 2dle s VAL 30 CO 0.02 -0.10 1.03 -0.55 0.00 0.00 0.00 175.10 175.51 2dle s SER 31 N -2.82 6.26 -0.85 3.32 0.15 -1.21 -4.92 113.70 113.64 2dle s SER 31 Ca 0.41 -0.53 -0.16 0.00 0.70 0.00 0.00 55.95 56.37 2dle s SER 31 Cb -0.11 -2.46 -0.24 0.00 -1.71 0.00 0.00 66.02 61.49 2dle s SER 31 CO 0.27 -1.43 2.03 0.47 1.20 0.00 0.00 173.24 175.78 2dle n ASP 32 N 7.97 -0.58 -4.86 5.45 8.00 -1.26 -4.84 116.55 126.42 2dle n ASP 32 Ca 0.01 -0.19 -0.24 0.00 0.71 0.00 0.00 54.79 55.08 2dle n ASP 32 Cb 0.47 -0.60 0.07 0.00 -0.02 0.00 0.00 41.12 41.04 2dle n ASP 32 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 2dle s ASN 33 N 3.41 4.83 0.50 -2.24 2.47 -1.26 -4.89 114.94 117.75 2dle s ASN 33 Ca 1.13 0.11 0.38 0.00 0.42 0.00 0.00 52.86 54.90 2dle s ASN 33 Cb -0.88 -0.77 1.30 0.00 -1.45 0.00 0.00 41.25 39.45 2dle s ASN 33 CO 0.45 -1.52 1.29 1.21 -3.72 0.00 0.00 177.10 174.81 2dle n GLU 34 N -2.71 0.00 -3.64 0.43 0.00 -1.26 -4.13 120.64 109.33 2dle n GLU 34 Ca 0.10 0.93 -0.05 0.00 0.00 0.00 0.00 57.16 58.13 2dle n GLU 34 Cb 0.60 -2.19 -0.07 0.00 0.00 0.00 0.00 31.44 29.78 2dle n GLU 34 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.13 176.01 2dle s SER 35 N -3.73 -0.88 -0.21 4.31 0.01 -1.26 -5.04 113.70 106.90 2dle s SER 35 Ca -0.04 1.39 0.13 0.00 1.31 0.00 0.00 55.95 58.74 2dle s SER 35 Cb 0.20 1.45 0.44 0.00 0.21 0.00 0.00 66.02 68.32 2dle s SER 35 CO 0.67 -0.22 1.32 -1.54 0.41 0.00 0.00 173.24 173.88 2dle n SER 36 N 4.33 2.45 -4.83 2.44 3.41 -1.26 -5.03 113.62 115.13 2dle n SER 36 Ca -0.19 -3.54 -0.35 0.00 -0.26 0.00 0.00 58.87 54.53 2dle n SER 36 Cb 0.58 -0.54 -0.06 0.00 -0.26 0.00 0.00 64.21 63.92 2dle n SER 36 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2dle s SER 37 N -2.72 6.92 -1.49 4.04 0.15 -1.26 -4.01 113.70 115.32 2dle s SER 37 Ca 0.39 1.23 -0.07 0.00 0.70 0.00 0.00 55.95 58.21 2dle s SER 37 Cb 0.36 -2.35 0.01 0.00 -1.71 0.00 0.00 66.02 62.33 2dle s SER 37 CO -0.00 0.05 0.78 0.59 1.20 0.00 0.00 173.24 175.86 2dle n ASN 38 N 0.69 -6.03 -4.71 5.45 4.13 -1.26 -4.92 115.26 108.62 2dle n ASN 38 Ca -0.03 -0.38 -0.39 0.00 1.68 0.00 0.00 54.58 55.45 2dle n ASN 38 Cb 0.52 -4.83 -0.05 0.00 -1.54 0.00 0.00 39.78 33.87 2dle n ASN 38 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 2dle s TYR 39 N -3.21 3.52 0.41 3.10 1.51 -1.26 -4.45 117.35 116.97 2dle s TYR 39 Ca 0.40 1.12 0.07 0.00 -1.01 0.00 0.00 57.07 57.66 2dle s TYR 39 Cb -0.18 -2.76 -0.04 0.00 -0.11 0.00 0.00 41.96 38.86 2dle s TYR 39 CO 0.50 0.05 0.23 0.95 -1.11 0.00 0.00 175.55 176.17 2dle s THR 40 N 1.01 2.47 -0.15 -0.71 -4.23 -0.07 -4.50 115.64 109.47 2dle s THR 40 Ca 0.34 -1.59 -0.04 0.00 -1.18 0.00 0.00 61.69 59.21 2dle s THR 40 Cb -0.17 -3.00 0.07 0.00 1.34 0.00 0.00 72.50 70.75 2dle s THR 40 CO 0.15 -0.02 0.22 -0.31 -0.54 0.00 0.00 174.62 174.12 2dle s TYR 41 N -2.55 -0.30 -0.46 3.99 2.02 0.26 -2.01 117.35 118.31 2dle s TYR 41 Ca 0.43 0.56 -0.16 0.00 -0.37 0.00 0.00 57.07 57.53 2dle s TYR 41 Cb 0.01 -0.23 0.05 0.00 -0.40 0.00 0.00 41.96 41.39 2dle s TYR 41 CO 0.24 -0.44 0.40 0.15 -1.57 0.00 0.00 175.55 174.33 2dle s LYS 42 N 2.35 3.00 -0.60 -0.62 1.02 -1.08 -1.74 119.74 122.06 2dle s LYS 42 Ca 0.04 -1.18 -0.21 0.00 0.02 0.00 0.00 55.97 54.64 2dle s LYS 42 Cb -0.14 -4.08 0.07 0.00 -0.52 0.00 0.00 37.83 33.17 2dle s LYS 42 CO -0.09 -0.96 0.82 0.42 -0.92 0.00 0.00 175.35 174.61 2dle s ILE 43 N 1.78 4.58 -0.49 2.17 1.09 -1.11 -2.70 121.20 126.51 2dle s ILE 43 Ca 0.06 -0.48 -0.25 0.00 -1.10 0.00 0.00 60.65 58.87 2dle s ILE 43 Cb -0.22 -4.53 0.03 0.00 -1.06 0.00 0.00 42.46 36.68 2dle s ILE 43 CO 0.08 -1.19 0.96 -2.28 -0.10 0.00 0.00 174.94 172.41 2dle s HIS 44 N 3.37 2.86 0.05 3.97 5.65 -0.74 -2.13 115.29 128.32 2dle s HIS 44 Ca 0.19 0.29 -0.20 0.00 0.25 0.00 0.00 55.06 55.59 2dle s HIS 44 Cb -0.19 -4.06 -0.06 0.00 -1.18 0.00 0.00 32.58 27.09 2dle s HIS 44 CO 0.11 -1.21 0.60 0.08 -0.65 0.00 0.00 174.74 173.66 2dle s VAL 45 N 3.93 4.77 -0.26 0.89 1.01 -0.09 -2.51 120.40 128.13 2dle s VAL 45 Ca 0.36 1.27 -0.02 0.00 0.00 0.00 0.00 61.98 63.59 2dle s VAL 45 Cb -0.10 -3.93 0.09 0.00 0.00 0.00 0.00 36.38 32.43 2dle s VAL 45 CO 0.25 0.50 0.08 0.00 0.00 0.00 0.00 175.10 175.94 2dle s ALA 46 N -0.79 1.13 0.00 5.51 0.00 -0.87 -2.17 121.76 124.57 2dle s ALA 46 Ca 0.30 -1.19 0.00 0.00 0.00 0.00 0.00 51.96 51.07 2dle s ALA 46 Cb -0.19 -1.41 0.00 0.00 0.00 0.00 0.00 23.12 21.52 2dle s ALA 46 CO 0.19 -1.49 0.00 0.41 0.00 0.00 0.00 175.76 174.87 2dle n GLY 47 N 5.01 1.06 0.11 0.00 0.00 -0.28 -1.96 105.19 109.13 2dle n GLY 47 Ca -0.05 -1.03 -0.20 0.00 0.00 0.00 0.00 46.02 44.74 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 0.55 -1.78 1.61 -0.58 -1.26 -4.70 120.64 114.48 2dle n GLU 48 Ca 0.00 0.38 -0.05 0.00 -0.42 0.00 0.00 57.16 57.07 2dle n GLU 48 Cb 0.00 -1.58 0.07 0.00 -0.57 0.00 0.00 31.44 29.36 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 -4.40 1.63 -3.61 2.62 -2.24 -1.26 -5.07 114.28 101.95 2dle n THR 49 Ca -0.33 -3.02 -0.03 0.00 -2.27 0.00 0.00 64.05 58.40 2dle n THR 49 Cb 0.66 0.12 -0.01 0.00 -2.10 0.00 0.00 70.33 69.00 2dle n THR 49 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 2dle s ASP 50 N -3.25 -0.17 0.16 3.42 -4.77 -1.26 -5.19 116.67 105.61 2dle s ASP 50 Ca 0.38 -0.12 -0.13 0.00 -3.30 0.00 0.00 52.55 49.39 2dle s ASP 50 Cb 0.37 0.27 0.01 0.00 -1.09 0.00 0.00 42.92 42.48 2dle s ASP 50 CO -0.05 -0.46 0.37 -0.94 0.70 0.00 0.00 175.17 174.79 2dle s SER 51 N -2.63 -0.09 0.03 2.11 1.04 -1.26 -1.13 113.70 111.77 2dle s SER 51 Ca 0.10 -0.62 -0.10 0.00 0.48 0.00 0.00 55.95 55.82 2dle s SER 51 Cb 0.01 0.48 0.01 0.00 0.10 0.00 0.00 66.02 66.61 2dle s SER 51 CO -0.04 -0.92 0.21 -0.94 0.98 0.00 0.00 173.24 172.53 2dle s SER 52 N -2.89 0.00 0.02 7.02 1.04 -0.92 -5.01 113.70 112.95 2dle s SER 52 Ca 0.10 -0.29 0.04 0.00 0.48 0.00 0.00 55.95 56.28 2dle s SER 52 Cb 0.02 0.28 -0.03 0.00 0.10 0.00 0.00 66.02 66.39 2dle s SER 52 CO -0.05 -0.53 -0.07 0.54 0.98 0.00 0.00 173.24 174.11 2dle s ASN 53 N -1.93 4.57 0.13 7.02 4.22 -1.26 -0.92 114.94 126.77 2dle s ASN 53 Ca -0.07 -0.18 0.07 0.00 -2.14 0.00 0.00 52.86 50.54 2dle s ASN 53 Cb -0.02 -1.04 -0.04 0.00 1.28 0.00 0.00 41.25 41.43 2dle s ASN 53 CO -0.02 0.27 -0.18 -0.76 -2.04 0.00 0.00 177.10 174.37 2dle s LEU 54 N -1.52 2.37 -0.25 3.54 1.02 -0.91 -4.97 118.68 117.96 2dle s LEU 54 Ca 0.18 -0.78 -0.02 0.00 0.02 0.00 0.00 54.13 53.53 2dle s LEU 54 Cb -0.11 -0.75 0.12 0.00 0.02 0.00 0.00 46.19 45.47 2dle s LEU 54 CO 0.08 -0.04 0.27 0.54 0.02 0.00 0.00 176.35 177.23 2dle s ASN 55 N -2.31 1.41 0.12 2.29 2.20 -1.26 -2.77 114.94 114.62 2dle s ASN 55 Ca 0.10 -0.43 0.04 0.00 -0.94 0.00 0.00 52.86 51.63 2dle s ASN 55 Cb -0.07 0.53 -0.04 0.00 -2.00 0.00 0.00 41.25 39.66 2dle s ASN 55 CO 0.05 -0.35 -0.10 0.68 -2.94 0.00 0.00 177.10 174.43 2dle s VAL 56 N 2.37 1.04 -2.68 3.54 -7.23 -0.71 -4.97 120.40 111.76 2dle s VAL 56 Ca 0.09 -1.85 0.23 0.00 -1.81 0.00 0.00 61.98 58.64 2dle s VAL 56 Cb -0.15 -1.61 0.13 0.00 0.56 0.00 0.00 36.38 35.31 2dle s VAL 56 CO -0.23 -0.65 1.20 -0.24 -0.31 0.00 0.00 175.10 174.87 2dle n SER 57 N 0.19 2.68 -4.78 4.85 2.88 -1.26 0.91 113.62 119.09 2dle n SER 57 Ca -0.13 -1.84 -0.26 0.00 -1.33 0.00 0.00 58.87 55.31 2dle n SER 57 Cb 0.59 0.15 -0.06 0.00 -0.75 0.00 0.00 64.21 64.15 2dle n SER 57 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 2dle s GLU 58 N -2.14 2.83 0.00 -1.46 1.03 -1.26 -4.67 118.70 113.03 2dle s GLU 58 Ca 0.25 -0.93 0.10 0.00 0.03 0.00 0.00 54.97 54.42 2dle s GLU 58 Cb 0.19 -2.59 0.57 0.00 -0.80 0.00 0.00 34.13 31.50 2dle s GLU 58 CO 0.38 0.47 1.01 -0.35 -1.33 0.00 0.00 175.26 175.45 2dle n PRO 59 N -0.41 0.49 -4.30 -4.83 -0.04 -1.26 -4.69 135.00 119.96 2dle n PRO 59 Ca -0.08 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.15 2dle n PRO 59 Cb 0.55 -1.31 -0.12 0.00 -0.04 0.00 0.00 33.50 32.59 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 1.16 -0.29 0.54 1.70 -1.26 -2.65 118.95 116.15 2dle s ARG 60 Ca 0.14 -1.26 -0.14 0.00 -0.47 0.00 0.00 55.73 54.00 2dle s ARG 60 Cb 0.07 -1.30 0.11 0.00 -0.57 0.00 0.00 34.95 33.26 2dle s ARG 60 CO 0.11 0.28 0.76 0.00 -1.08 0.00 0.00 175.30 175.38 2dle s ALA 61 N -1.61 -2.08 -0.06 7.88 0.00 -1.09 -4.92 121.76 119.89 2dle s ALA 61 Ca 0.10 2.33 -0.05 0.00 0.00 0.00 0.00 51.96 54.34 2dle s ALA 61 Cb -0.08 -1.63 -0.04 0.00 0.00 0.00 0.00 23.12 21.37 2dle s ALA 61 CO 0.05 -0.57 0.16 0.08 0.00 0.00 0.00 175.76 175.49 2dle s VAL 62 N 1.98 5.47 -0.46 0.00 1.01 -1.26 -2.27 120.40 124.87 2dle s VAL 62 Ca -0.08 0.00 -0.07 0.00 0.00 0.00 0.00 61.98 61.83 2dle s VAL 62 Cb -0.07 -3.48 0.12 0.00 0.00 0.00 0.00 36.38 32.95 2dle s VAL 62 CO -0.19 0.45 0.30 -0.63 0.00 0.00 0.00 175.10 175.04 2dle s ILE 63 N -1.20 3.87 1.14 2.22 -1.09 -0.25 -4.93 121.20 120.97 2dle s ILE 63 Ca 0.22 -1.93 -0.19 0.00 -2.23 0.00 0.00 60.65 56.52 2dle s ILE 63 Cb -0.12 -3.58 0.28 0.00 -1.58 0.00 0.00 42.46 37.46 2dle s ILE 63 CO 0.12 -0.75 1.02 -0.81 -1.23 0.00 0.00 174.94 173.29 2dle n PRO 64 N 4.74 -3.00 -3.71 2.79 -0.04 -1.26 -3.10 135.00 131.42 2dle n PRO 64 Ca -0.05 -1.63 -0.26 0.00 -0.04 0.00 0.00 63.50 61.52 2dle n PRO 64 Cb 0.41 -1.52 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 -4.26 -0.84 3.85 0.55 0.00 -0.86 -4.78 105.19 98.84 2dle n GLY 65 Ca 0.14 0.37 -0.25 0.00 0.00 0.00 0.00 46.02 46.29 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 -5.39 3.95 -0.01 0.99 1.43 -1.16 -4.97 118.68 113.51 2dle s LEU 66 Ca 0.16 -0.09 -0.07 0.00 -1.03 0.00 0.00 54.13 53.10 2dle s LEU 66 Cb -0.09 -2.52 -0.05 0.00 0.03 0.00 0.00 46.19 43.56 2dle s LEU 66 CO 0.71 0.03 0.25 -0.13 0.23 0.00 0.00 176.35 177.44 2dle s ARG 67 N -3.38 3.57 0.51 1.70 0.52 -1.25 -4.05 118.95 116.57 2dle s ARG 67 Ca 0.32 -0.07 -0.14 0.00 -0.52 0.00 0.00 55.73 55.33 2dle s ARG 67 Cb -0.10 -3.10 -0.07 0.00 0.52 0.00 0.00 34.95 32.20 2dle s ARG 67 CO 0.25 0.67 0.94 -1.54 0.02 0.00 0.00 175.30 175.64 2dle s SER 68 N -1.58 6.52 -1.39 0.23 1.04 -1.24 -4.10 113.70 113.18 2dle s SER 68 Ca 0.25 1.42 -0.16 0.00 0.48 0.00 0.00 55.95 57.95 2dle s SER 68 Cb -0.13 -2.45 0.02 0.00 0.10 0.00 0.00 66.02 63.56 2dle s SER 68 CO 0.14 -0.60 0.34 -0.24 0.98 0.00 0.00 173.24 173.87 2dle n SER 69 N -1.76 -1.48 -3.79 7.02 2.88 -1.23 -4.94 113.62 110.32 2dle n SER 69 Ca 0.05 -1.27 -0.13 0.00 -1.33 0.00 0.00 58.87 56.19 2dle n SER 69 Cb 0.54 -1.76 -0.14 0.00 -0.75 0.00 0.00 64.21 62.10 2dle n SER 69 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2dle s THR 70 N -3.97 -0.03 0.49 2.46 2.01 -1.26 -5.01 115.64 110.33 2dle s THR 70 Ca 0.23 0.11 -0.21 0.00 0.31 0.00 0.00 61.69 62.13 2dle s THR 70 Cb -0.12 -0.16 -0.07 0.00 0.01 0.00 0.00 72.50 72.15 2dle s THR 70 CO 0.98 0.05 1.11 0.12 -0.69 0.00 0.00 174.62 176.19 2dle s PHE 71 N 0.70 2.88 0.05 4.92 5.36 -1.26 -3.67 117.98 126.96 2dle s PHE 71 Ca -0.05 1.56 -0.05 0.00 -0.96 0.00 0.00 56.93 57.43 2dle s PHE 71 Cb -0.07 -3.25 -0.02 0.00 -0.34 0.00 0.00 43.02 39.34 2dle s PHE 71 CO -0.03 -1.28 0.07 0.71 -1.46 0.00 0.00 175.22 173.24 2dle s TYR 72 N -1.72 0.29 -0.27 10.12 2.02 -1.14 -4.51 117.35 122.14 2dle s TYR 72 Ca 0.67 -0.69 -0.02 0.00 -0.37 0.00 0.00 57.07 56.65 2dle s TYR 72 Cb -0.24 -0.20 0.09 0.00 -0.40 0.00 0.00 41.96 41.21 2dle s TYR 72 CO 0.28 -0.40 0.08 -0.80 -1.57 0.00 0.00 175.55 173.14 2dle s ASN 73 N -2.50 3.54 0.17 2.29 -0.87 -0.83 -3.61 114.94 113.13 2dle s ASN 73 Ca 0.00 -1.28 -0.04 0.00 -1.57 0.00 0.00 52.86 49.97 2dle s ASN 73 Cb 0.03 -0.67 -0.05 0.00 -0.02 0.00 0.00 41.25 40.54 2dle s ASN 73 CO -0.07 -0.38 0.39 -0.63 -2.57 0.00 0.00 177.10 173.84 2dle s ILE 74 N 1.80 5.16 -0.19 0.60 1.01 -1.25 -2.05 121.20 126.27 2dle s ILE 74 Ca 0.06 -0.05 -0.04 0.00 0.00 0.00 0.00 60.65 60.62 2dle s ILE 74 Cb -0.17 -3.65 0.08 0.00 0.01 0.00 0.00 42.46 38.73 2dle s ILE 74 CO -0.22 -0.03 0.16 -0.89 0.00 0.00 0.00 174.94 173.97 2dle s THR 75 N -1.73 -0.22 -0.48 2.92 2.01 -1.04 -3.63 115.64 113.46 2dle s THR 75 Ca 0.41 -0.16 -0.18 0.00 0.31 0.00 0.00 61.69 62.06 2dle s THR 75 Cb -0.12 -0.65 0.05 0.00 0.01 0.00 0.00 72.50 71.79 2dle s THR 75 CO 0.26 -0.26 0.57 -0.69 -0.69 0.00 0.00 174.62 173.81 2dle s VAL 76 N 2.24 4.95 -0.33 3.82 1.01 -0.86 -1.79 120.40 129.44 2dle s VAL 76 Ca 0.05 -0.49 -0.07 0.00 0.00 0.00 0.00 61.98 61.47 2dle s VAL 76 Cb -0.16 -4.23 0.03 0.00 0.00 0.00 0.00 36.38 32.03 2dle s VAL 76 CO -0.12 -0.70 0.10 0.00 0.00 0.00 0.00 175.10 174.39 2dle s PRO 78 N 1.43 4.42 -0.15 0.00 0.04 -1.26 -2.65 135.00 136.83 2dle s PRO 78 Ca -0.01 2.05 -0.04 0.00 0.04 0.00 0.00 61.00 63.04 2dle s PRO 78 Cb -0.19 -3.17 0.05 0.00 0.04 0.00 0.00 34.50 31.23 2dle s PRO 78 CO 0.03 -0.17 0.08 0.08 0.04 0.00 0.00 177.00 177.06 2dle s VAL 79 N -0.31 -0.09 0.05 -0.36 1.01 -0.85 -2.47 120.40 117.38 2dle s VAL 79 Ca 0.53 -0.05 -0.07 0.00 0.00 0.00 0.00 61.98 62.39 2dle s VAL 79 Cb -0.36 -0.49 -0.30 0.00 0.00 0.00 0.00 36.38 35.22 2dle s VAL 79 CO 0.41 -0.20 1.06 0.25 0.00 0.00 0.00 175.10 176.63 2dle h LEU 80 N 8.42 0.54 0.00 3.92 5.85 -1.78 -0.14 115.31 132.12 2dle h LEU 80 Ca -0.14 -0.59 0.00 0.00 0.84 0.00 0.00 57.88 57.98 2dle h LEU 80 Cb 1.14 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.00 2dle h LEU 80 CO 0.26 1.47 0.00 0.61 -0.34 0.00 0.00 178.44 180.44 2dle n GLY 81 N 1.60 -1.55 0.08 3.75 0.00 -1.26 -4.62 105.19 103.18 2dle n GLY 81 Ca -0.12 0.50 0.01 0.00 0.00 0.00 0.00 46.02 46.42 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 1.02 -4.33 1.61 9.92 -1.26 -5.06 116.55 118.44 2dle n ASP 82 Ca 0.00 -1.77 -0.25 0.00 -0.53 0.00 0.00 54.79 52.24 2dle n ASP 82 Cb 0.00 -0.08 -0.12 0.00 -0.64 0.00 0.00 41.12 40.27 2dle n ASP 82 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 2dle s ILE 83 N -0.74 1.94 -0.15 0.53 1.01 -1.26 -5.13 121.20 117.40 2dle s ILE 83 Ca 0.04 -1.70 0.00 0.00 0.00 0.00 0.00 60.65 58.99 2dle s ILE 83 Cb 0.04 -1.78 0.02 0.00 0.01 0.00 0.00 42.46 40.76 2dle s ILE 83 CO 0.00 -0.06 -0.14 -1.61 0.00 0.00 0.00 174.94 173.14 2dle s GLU 84 N -2.15 2.27 0.00 2.79 2.02 -1.26 -3.82 118.70 118.55 2dle s GLU 84 Ca 0.11 -0.59 0.00 0.00 0.02 0.00 0.00 54.97 54.52 2dle s GLU 84 Cb -0.09 -2.14 0.00 0.00 0.10 0.00 0.00 34.13 32.00 2dle s GLU 84 CO 0.06 -0.26 0.00 0.41 0.02 0.00 0.00 175.26 175.49 2dle n GLY 85 N 4.76 -0.20 3.66 -1.39 0.00 -1.03 -4.99 105.19 106.00 2dle n GLY 85 Ca -0.17 -1.75 -0.41 0.00 0.00 0.00 0.00 46.02 43.69 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 0.15 4.89 -0.07 2.61 2.01 -0.95 -4.75 115.64 119.53 2dle s THR 86 Ca 0.00 1.53 -0.30 0.00 0.31 0.00 0.00 61.69 63.23 2dle s THR 86 Cb 0.00 -4.10 -0.05 0.00 0.01 0.00 0.00 72.50 68.37 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 2.39 4.21 -0.33 4.92 0.04 -1.26 -3.40 135.00 141.57 2dle s PRO 87 Ca 0.35 2.02 -0.26 0.00 0.04 0.00 0.00 61.00 63.15 2dle s PRO 87 Cb -0.16 -3.84 0.01 0.00 0.04 0.00 0.00 34.50 30.55 2dle s PRO 87 CO 0.10 -0.76 0.93 0.20 0.04 0.00 0.00 177.00 177.51 2dle s GLY 88 N 2.68 1.61 0.06 0.56 0.00 -0.00 -4.81 107.32 107.42 2dle s GLY 88 Ca 0.67 -0.31 -0.04 0.00 0.00 0.00 0.00 44.72 45.04 2dle s GLY 88 CO 0.25 2.01 0.28 -1.36 0.00 0.00 0.00 173.10 174.28 2dle s PHE 89 N 3.35 3.53 -0.28 1.90 0.40 -1.26 -2.03 117.98 123.59 2dle s PHE 89 Ca 0.39 0.49 -0.09 0.00 -0.60 0.00 0.00 56.93 57.11 2dle s PHE 89 Cb -0.13 -1.94 0.13 0.00 0.51 0.00 0.00 43.02 41.59 2dle s PHE 89 CO 0.15 0.55 0.60 -1.17 0.70 0.00 0.00 175.22 176.06 2dle s LEU 90 N -2.21 -1.07 -0.01 -0.37 2.96 -1.24 -4.98 118.68 111.76 2dle s LEU 90 Ca 0.33 1.42 -0.30 0.00 -0.22 0.00 0.00 54.13 55.37 2dle s LEU 90 Cb -0.13 2.12 -0.04 0.00 0.50 0.00 0.00 46.19 48.65 2dle s LEU 90 CO 0.22 -0.23 1.14 -1.10 -1.32 0.00 0.00 176.35 175.06 2dle s GLN 91 N 2.84 4.43 0.10 1.98 -0.21 -1.26 -3.95 119.66 123.59 2dle s GLN 91 Ca -0.04 1.63 0.08 0.00 0.02 0.00 0.00 55.36 57.05 2dle s GLN 91 Cb -0.12 -3.47 -0.03 0.00 1.00 0.00 0.00 33.01 30.39 2dle s GLN 91 CO -0.18 -0.29 -0.20 0.14 -2.12 0.00 0.00 175.29 172.63 2dle s VAL 92 N 1.58 1.65 -0.23 1.09 -7.23 -1.24 -5.06 120.40 110.97 2dle s VAL 92 Ca 0.55 -1.51 -0.03 0.00 -1.81 0.00 0.00 61.98 59.19 2dle s VAL 92 Cb -0.25 -1.50 0.07 0.00 0.56 0.00 0.00 36.38 35.26 2dle s VAL 92 CO 0.25 -0.07 0.07 -2.28 -0.31 0.00 0.00 175.10 172.76 2dle s HIS 93 N -1.16 0.93 0.37 2.82 2.46 -1.26 -2.86 115.29 116.59 2dle s HIS 93 Ca 0.06 -0.96 -0.25 0.00 0.47 0.00 0.00 55.06 54.38 2dle s HIS 93 Cb -0.10 -1.09 -0.12 0.00 -0.13 0.00 0.00 32.58 31.14 2dle s HIS 93 CO 0.04 -0.68 0.89 0.25 -2.47 0.00 0.00 174.74 172.76 2dle n THR 94 N 5.07 2.15 -2.27 0.89 -2.24 -1.24 -4.92 114.28 111.73 2dle n THR 94 Ca -0.07 -0.50 -0.36 0.00 -2.27 0.00 0.00 64.05 60.85 2dle n THR 94 Cb 0.46 -0.93 -0.00 0.00 -2.10 0.00 0.00 70.33 67.75 2dle n THR 94 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2dle s PRO 95 N -1.75 3.57 -0.09 -0.78 0.04 -1.26 -3.48 135.00 131.24 2dle s PRO 95 Ca 0.62 1.69 -0.30 0.00 0.04 0.00 0.00 61.00 63.05 2dle s PRO 95 Cb -0.62 -2.21 -0.04 0.00 0.04 0.00 0.00 34.50 31.67 2dle s PRO 95 CO 0.58 -0.69 1.52 -1.25 0.04 0.00 0.00 177.00 177.20 2dle s PRO 96 N -2.99 4.20 0.08 0.56 0.04 -1.26 -3.92 135.00 131.71 2dle s PRO 96 Ca 0.68 2.01 -0.24 0.00 0.04 0.00 0.00 61.00 63.50 2dle s PRO 96 Cb -0.26 -3.91 -0.13 0.00 0.04 0.00 0.00 34.50 30.24 2dle s PRO 96 CO 0.31 -0.80 0.54 0.28 0.04 0.00 0.00 177.00 177.36 2dle n VAL 97 N 5.45 0.81 0.98 -0.36 0.31 -1.26 -4.73 118.33 119.52 2dle n VAL 97 Ca 0.16 -0.20 0.05 0.00 -0.01 0.00 0.00 64.34 64.34 2dle n VAL 97 Cb 0.43 0.00 0.31 0.00 -0.91 0.00 0.00 33.84 33.68 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 0.86 0.49 -1.67 5.55 -0.04 -1.26 -4.83 135.00 134.09 2dle n PRO 98 Ca 0.13 0.00 -0.45 0.00 -0.04 0.00 0.00 63.50 63.14 2dle n PRO 98 Cb 0.13 -1.33 -0.03 0.00 -0.04 0.00 0.00 33.50 32.22 2dle n PRO 98 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2dle n SER 99 N -0.83 2.93 0.00 3.54 7.64 -1.26 -4.93 113.62 120.70 2dle n SER 99 Ca 0.08 1.12 0.00 0.00 1.01 0.00 0.00 58.87 61.08 2dle n SER 99 Cb 0.04 -1.43 0.00 0.00 -1.01 0.00 0.00 64.21 61.80 2dle n SER 99 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dle n GLY 100 N 2.68 0.76 0.00 0.23 0.00 -1.26 -4.98 105.19 102.62 2dle n GLY 100 Ca 0.14 -0.93 0.07 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.34 0.16 -1.54 1.61 -0.04 -1.26 -4.71 135.00 128.88 2dle n PRO 101 Ca 0.00 0.17 -0.24 0.00 -0.04 0.00 0.00 63.50 63.39 2dle n PRO 101 Cb 0.00 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 31.87 2dle n PRO 101 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2dle n SER 102 N -1.34 1.39 -4.08 3.54 7.64 -1.26 -4.86 113.62 114.65 2dle n SER 102 Ca 0.06 -0.89 -0.36 0.00 1.01 0.00 0.00 58.87 58.70 2dle n SER 102 Cb 0.13 -1.42 -0.11 0.00 -1.01 0.00 0.00 64.21 61.81 2dle n SER 102 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dle s SER 103 N 9.74 5.13 0.00 6.43 0.15 -1.26 -5.15 113.70 128.73 2dle s SER 103 Ca 1.04 -2.67 0.00 0.00 0.70 0.00 0.00 55.95 55.02 2dle s SER 103 Cb -0.35 -1.82 0.00 0.00 -1.71 0.00 0.00 66.02 62.14 2dle s SER 103 CO 0.24 -0.39 0.00 0.61 1.20 0.00 0.00 173.24 174.90