#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 -0.13 -1.39 1.61 1.04 -1.26 -5.00 113.70 108.58 2dle s SER 2 Ca 0.00 -0.09 -0.09 0.00 0.48 0.00 0.00 55.95 56.25 2dle s SER 2 Cb 0.00 0.21 0.03 0.00 0.10 0.00 0.00 66.02 66.36 2dle s SER 2 CO 0.00 -0.37 1.09 -1.20 0.98 0.00 0.00 173.24 173.74 2dle n SER 3 N -0.30 -5.19 -3.08 7.02 7.64 -1.26 -4.95 113.62 113.50 2dle n SER 3 Ca -0.05 -0.63 -0.18 0.00 1.01 0.00 0.00 58.87 59.03 2dle n SER 3 Cb 0.61 -4.68 -0.04 0.00 -1.01 0.00 0.00 64.21 59.08 2dle n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dle n GLY 4 N -1.81 1.40 2.43 0.23 0.00 -1.26 -4.98 105.19 101.20 2dle n GLY 4 Ca -0.03 -0.75 -0.36 0.00 0.00 0.00 0.00 46.02 44.88 2dle n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dle n SER 5 N 2.19 7.64 -4.75 1.61 3.41 -1.26 -5.01 113.62 117.45 2dle n SER 5 Ca 0.21 -3.80 -0.39 0.00 -0.26 0.00 0.00 58.87 54.63 2dle n SER 5 Cb 0.54 -0.98 0.04 0.00 -0.26 0.00 0.00 64.21 63.54 2dle n SER 5 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2dle s SER 6 N -1.74 5.42 0.00 4.04 1.04 -1.26 -4.79 113.70 116.41 2dle s SER 6 Ca 0.63 2.82 0.00 0.00 0.48 0.00 0.00 55.95 59.87 2dle s SER 6 Cb 0.50 -2.64 0.00 0.00 0.10 0.00 0.00 66.02 63.97 2dle s SER 6 CO -0.08 -1.48 0.00 0.61 0.98 0.00 0.00 173.24 173.27 2dle n GLY 7 N 0.69 0.74 3.68 7.32 0.00 -1.26 -5.17 105.19 111.19 2dle n GLY 7 Ca 0.09 -0.49 -0.23 0.00 0.00 0.00 0.00 46.02 45.39 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 3.28 -0.38 4.61 0.00 -1.26 -5.04 121.76 122.97 2dle s ALA 8 Ca 0.00 -1.67 -0.41 0.00 0.00 0.00 0.00 51.96 49.87 2dle s ALA 8 Cb 0.00 -0.81 -0.16 0.00 0.00 0.00 0.00 23.12 22.14 2dle s ALA 8 CO 0.00 0.21 1.86 -0.89 0.00 0.00 0.00 175.76 176.94 2dle n ILE 9 N -0.98 0.17 -4.19 0.00 5.41 -1.26 -4.89 119.36 113.61 2dle n ILE 9 Ca -0.06 -0.07 -0.17 0.00 1.00 0.00 0.00 62.75 63.45 2dle n ILE 9 Cb 0.59 -1.02 -0.15 0.00 -0.71 0.00 0.00 39.64 38.36 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 4.32 0.53 -0.22 0.38 0.74 -1.26 -2.46 119.66 121.69 2dle s GLN 10 Ca 1.06 -0.19 -0.14 0.00 0.05 0.00 0.00 55.36 56.13 2dle s GLN 10 Cb -1.20 -0.53 -0.04 0.00 1.10 0.00 0.00 33.01 32.34 2dle s GLN 10 CO 0.67 0.09 0.33 0.08 -0.55 0.00 0.00 175.29 175.91 2dle s VAL 11 N 0.04 5.24 0.15 1.34 1.01 -1.23 -3.42 120.40 123.52 2dle s VAL 11 Ca -0.00 0.54 0.00 0.00 0.00 0.00 0.00 61.98 62.53 2dle s VAL 11 Cb -0.04 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 2dle s VAL 11 CO -0.00 0.26 0.02 0.72 0.00 0.00 0.00 175.10 176.11 2dle s PHE 12 N 1.35 1.01 -0.87 5.22 -0.71 -0.53 -4.51 117.98 118.94 2dle s PHE 12 Ca 0.15 -1.12 0.00 0.00 -1.04 0.00 0.00 56.93 54.92 2dle s PHE 12 Cb -0.15 -0.58 0.00 0.00 -1.21 0.00 0.00 43.02 41.09 2dle s PHE 12 CO 0.07 -0.36 0.00 -3.47 -1.34 0.00 0.00 175.22 170.12 2dle n ASP 13 N -0.15 -3.46 -4.62 1.98 2.03 -1.26 0.16 116.55 111.23 2dle n ASP 13 Ca -0.07 0.04 -0.43 0.00 0.52 0.00 0.00 54.79 54.86 2dle n ASP 13 Cb 0.63 -2.53 -0.03 0.00 -0.72 0.00 0.00 41.12 38.48 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 -2.45 3.45 0.07 5.18 1.01 -1.26 -4.29 120.40 122.11 2dle s VAL 14 Ca 0.00 0.49 -0.02 0.00 0.00 0.00 0.00 61.98 62.45 2dle s VAL 14 Cb 0.00 -3.51 -0.03 0.00 0.00 0.00 0.00 36.38 32.84 2dle s VAL 14 CO 0.00 -0.26 0.02 -0.89 0.00 0.00 0.00 175.10 173.98 2dle s THR 15 N 6.18 0.19 -0.43 3.92 2.01 0.37 -4.90 115.64 122.98 2dle s THR 15 Ca 0.80 -1.71 -0.16 0.00 0.31 0.00 0.00 61.69 60.94 2dle s THR 15 Cb -0.27 -1.56 0.04 0.00 0.01 0.00 0.00 72.50 70.71 2dle s THR 15 CO 0.33 -0.86 0.38 0.00 -0.69 0.00 0.00 174.62 173.77 2dle s ALA 16 N -3.93 3.48 0.44 7.40 0.00 -1.26 -0.97 121.76 126.92 2dle s ALA 16 Ca 0.09 -1.77 0.14 0.00 0.00 0.00 0.00 51.96 50.42 2dle s ALA 16 Cb 0.07 -3.00 0.97 0.00 0.00 0.00 0.00 23.12 21.16 2dle s ALA 16 CO -0.09 -1.59 1.97 -0.39 0.00 0.00 0.00 175.76 175.67 2dle h VAL 17 N 5.70 1.15 -2.40 0.00 -1.51 -1.81 -3.43 116.25 113.95 2dle h VAL 17 Ca -0.27 -0.70 -0.06 0.00 -1.23 0.00 0.00 66.70 64.44 2dle h VAL 17 Cb 1.11 1.37 -0.24 0.00 -2.13 0.00 0.00 31.29 31.40 2dle h VAL 17 CO 0.80 0.20 -0.19 0.21 -1.23 0.00 0.00 177.57 177.36 2dle s ASN 18 N -6.99 -0.67 -0.15 4.19 2.47 -1.23 -5.02 114.94 107.54 2dle s ASN 18 Ca -0.04 1.13 0.01 0.00 0.42 0.00 0.00 52.86 54.39 2dle s ASN 18 Cb 0.16 1.05 0.02 0.00 -1.45 0.00 0.00 41.25 41.03 2dle s ASN 18 CO 0.70 -0.21 -0.18 -0.63 -3.72 0.00 0.00 177.10 173.06 2dle s ILE 19 N 1.58 1.82 0.30 -5.21 1.01 -1.26 -0.46 121.20 118.98 2dle s ILE 19 Ca -0.09 -0.81 0.01 0.00 0.00 0.00 0.00 60.65 59.75 2dle s ILE 19 Cb -0.07 -1.65 0.01 0.00 0.01 0.00 0.00 42.46 40.75 2dle s ILE 19 CO -0.15 0.50 0.07 -1.20 0.00 0.00 0.00 174.94 174.16 2dle n SER 20 N 4.42 2.55 0.12 3.58 7.64 0.37 -4.81 113.62 127.50 2dle n SER 20 Ca -0.19 -2.22 -0.20 0.00 1.01 0.00 0.00 58.87 57.27 2dle n SER 20 Cb 0.51 0.13 -0.15 0.00 -1.01 0.00 0.00 64.21 63.69 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 1.01 0.01 0.00 -0.43 0.00 -1.89 -3.37 119.26 114.59 2dle h ALA 21 Ca -0.23 -0.92 -0.02 0.00 0.00 0.00 0.00 54.91 53.75 2dle h ALA 21 Cb 0.73 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.61 2dle h ALA 21 CO 0.37 0.88 -0.36 0.25 0.00 0.00 0.00 179.25 180.40 2dle n THR 22 N -3.60 1.60 -3.61 0.00 -2.24 -1.26 -3.16 114.28 102.01 2dle n THR 22 Ca -0.14 -2.26 -0.06 0.00 -2.27 0.00 0.00 64.05 59.32 2dle n THR 22 Cb 1.06 -0.03 -0.05 0.00 -2.10 0.00 0.00 70.33 69.22 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 -2.72 -0.19 -0.28 3.42 1.04 -1.25 -1.88 113.70 111.84 2dle s SER 23 Ca 0.31 0.22 -0.18 0.00 0.48 0.00 0.00 55.95 56.78 2dle s SER 23 Cb 0.30 0.17 0.09 0.00 0.10 0.00 0.00 66.02 66.68 2dle s SER 23 CO -0.03 -0.17 0.75 -1.48 0.98 0.00 0.00 173.24 173.28 2dle s LEU 24 N -1.00 -0.83 -0.22 2.42 0.05 -1.19 0.14 118.68 118.05 2dle s LEU 24 Ca 0.04 1.38 -0.14 0.00 0.05 0.00 0.00 54.13 55.46 2dle s LEU 24 Cb -0.01 2.28 -0.04 0.00 -2.05 0.00 0.00 46.19 46.37 2dle s LEU 24 CO -0.04 -0.22 0.30 -0.89 -0.55 0.00 0.00 176.35 174.95 2dle s THR 25 N 1.35 5.26 0.09 5.48 2.01 0.39 -0.83 115.64 129.39 2dle s THR 25 Ca -0.08 0.48 0.01 0.00 0.31 0.00 0.00 61.69 62.42 2dle s THR 25 Cb -0.05 -3.64 -0.04 0.00 0.01 0.00 0.00 72.50 68.79 2dle s THR 25 CO -0.16 0.28 0.20 -0.22 -0.69 0.00 0.00 174.62 174.03 2dle s LEU 26 N 1.28 4.21 -0.01 4.42 2.96 0.01 -2.38 118.68 129.18 2dle s LEU 26 Ca 0.14 0.17 -0.11 0.00 -0.22 0.00 0.00 54.13 54.11 2dle s LEU 26 Cb -0.14 -2.82 0.01 0.00 0.50 0.00 0.00 46.19 43.74 2dle s LEU 26 CO 0.07 0.14 0.22 0.27 -1.32 0.00 0.00 176.35 175.72 2dle s ILE 27 N -1.56 0.07 0.10 6.68 -4.36 -0.14 -2.26 121.20 119.73 2dle s ILE 27 Ca 0.34 -0.58 -0.15 0.00 -0.26 0.00 0.00 60.65 60.00 2dle s ILE 27 Cb -0.12 -0.51 0.03 0.00 1.25 0.00 0.00 42.46 43.10 2dle s ILE 27 CO 0.27 -0.32 0.35 -1.66 0.24 0.00 0.00 174.94 173.82 2dle s TRP 28 N -1.33 -0.14 -0.14 1.37 -2.14 -1.09 -0.47 118.94 115.00 2dle s TRP 28 Ca -0.14 -0.15 -0.03 0.00 2.66 0.00 0.00 56.10 58.44 2dle s TRP 28 Cb -0.06 0.18 -0.03 0.00 -3.10 0.00 0.00 33.47 30.45 2dle s TRP 28 CO 0.03 -0.64 -0.03 0.21 -2.66 0.00 0.00 176.95 173.86 2dle s LYS 29 N -3.52 3.49 0.08 3.25 2.20 0.12 -4.89 119.74 120.46 2dle s LYS 29 Ca 0.01 -0.49 -0.04 0.00 -0.36 0.00 0.00 55.97 55.09 2dle s LYS 29 Cb 0.02 -2.88 -0.05 0.00 -1.51 0.00 0.00 37.83 33.41 2dle s LYS 29 CO -0.10 0.36 0.29 0.08 -0.36 0.00 0.00 175.35 175.63 2dle s VAL 30 N 0.04 5.28 -0.90 4.02 1.01 -1.26 -1.46 120.40 127.12 2dle s VAL 30 Ca 0.01 -0.07 -0.25 0.00 0.00 0.00 0.00 61.98 61.67 2dle s VAL 30 Cb -0.13 -3.61 0.04 0.00 0.00 0.00 0.00 36.38 32.67 2dle s VAL 30 CO 0.02 0.16 1.43 -0.55 0.00 0.00 0.00 175.10 176.16 2dle s SER 31 N -2.26 6.28 -1.27 3.32 0.15 -1.22 -4.31 113.70 114.38 2dle s SER 31 Ca 0.35 -1.01 -0.05 0.00 0.70 0.00 0.00 55.95 55.94 2dle s SER 31 Cb -0.13 -2.56 0.05 0.00 -1.71 0.00 0.00 66.02 61.67 2dle s SER 31 CO 0.23 -1.71 0.12 0.47 1.20 0.00 0.00 173.24 173.56 2dle n ASP 32 N 9.42 0.17 -3.26 5.45 9.92 -1.26 -4.45 116.55 132.54 2dle n ASP 32 Ca 0.22 -0.99 -0.30 0.00 -0.53 0.00 0.00 54.79 53.20 2dle n ASP 32 Cb 0.50 -1.24 -0.11 0.00 -0.64 0.00 0.00 41.12 39.63 2dle n ASP 32 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 2dle n ASN 33 N -2.06 0.19 -4.69 -2.24 0.23 -1.26 -4.78 115.26 100.65 2dle n ASN 33 Ca -0.16 0.12 -0.42 0.00 -0.53 0.00 0.00 54.58 53.59 2dle n ASN 33 Cb 0.49 -0.66 -0.03 0.00 -2.08 0.00 0.00 39.78 37.50 2dle n ASN 33 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 2dle s GLU 34 N 6.50 4.29 -1.19 -3.83 0.41 -1.26 -2.82 118.70 120.80 2dle s GLU 34 Ca 0.99 1.99 -0.08 0.00 -0.41 0.00 0.00 54.97 57.46 2dle s GLU 34 Cb -0.91 -3.52 0.01 0.00 -1.78 0.00 0.00 34.13 27.93 2dle s GLU 34 CO 0.36 -0.55 1.00 0.43 -0.49 0.00 0.00 175.26 176.00 2dle n SER 35 N 5.12 -5.79 -4.01 -0.19 7.64 -1.26 -4.82 113.62 110.30 2dle n SER 35 Ca 0.13 -0.45 -0.33 0.00 1.01 0.00 0.00 58.87 59.23 2dle n SER 35 Cb 0.43 -4.42 -0.10 0.00 -1.01 0.00 0.00 64.21 59.12 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 -2.38 1.72 -0.03 6.43 3.41 -1.13 -4.21 113.62 117.43 2dle n SER 36 Ca 0.00 -2.56 -0.06 0.00 -0.26 0.00 0.00 58.87 55.99 2dle n SER 36 Cb 0.56 -1.17 -0.02 0.00 -0.26 0.00 0.00 64.21 63.31 2dle n SER 36 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2dle n SER 37 N 12.80 1.22 -1.57 4.04 7.64 -1.26 -4.76 113.62 131.73 2dle n SER 37 Ca 0.45 0.05 -0.14 0.00 1.01 0.00 0.00 58.87 60.24 2dle n SER 37 Cb 0.44 -0.17 0.13 0.00 -1.01 0.00 0.00 64.21 63.60 2dle n SER 37 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2dle n ASN 38 N -3.14 3.93 -4.70 6.43 4.13 -1.26 -5.02 115.26 115.64 2dle n ASN 38 Ca -0.12 -3.79 -0.42 0.00 1.68 0.00 0.00 54.58 51.92 2dle n ASN 38 Cb 0.60 -0.59 -0.03 0.00 -1.54 0.00 0.00 39.78 38.22 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 -3.45 3.13 0.33 3.10 1.51 -1.26 -3.59 117.35 117.11 2dle s TYR 39 Ca 0.49 1.08 0.10 0.00 -1.01 0.00 0.00 57.07 57.73 2dle s TYR 39 Cb 0.42 -3.52 -0.06 0.00 -0.11 0.00 0.00 41.96 38.69 2dle s TYR 39 CO 0.00 -1.77 -0.11 0.99 -1.11 0.00 0.00 175.55 173.56 2dle s THR 40 N 1.96 2.20 -0.05 -0.71 2.01 0.66 -4.40 115.64 117.31 2dle s THR 40 Ca 0.60 -2.22 -0.01 0.00 0.31 0.00 0.00 61.69 60.36 2dle s THR 40 Cb -0.29 -2.57 0.03 0.00 0.01 0.00 0.00 72.50 69.68 2dle s THR 40 CO 0.26 -0.24 0.04 -0.31 -0.69 0.00 0.00 174.62 173.67 2dle s TYR 41 N -2.64 0.26 -0.60 4.92 2.02 0.15 -0.19 117.35 121.26 2dle s TYR 41 Ca 0.32 0.10 -0.18 0.00 -0.37 0.00 0.00 57.07 56.94 2dle s TYR 41 Cb 0.02 -0.54 0.12 0.00 -0.40 0.00 0.00 41.96 41.15 2dle s TYR 41 CO 0.16 -0.21 0.67 0.15 -1.57 0.00 0.00 175.55 174.74 2dle s LYS 42 N 1.91 3.08 -0.08 -0.62 1.02 -0.74 -1.42 119.74 122.90 2dle s LYS 42 Ca 0.02 -1.50 -0.24 0.00 0.02 0.00 0.00 55.97 54.27 2dle s LYS 42 Cb -0.12 -4.31 -0.03 0.00 -0.52 0.00 0.00 37.83 32.85 2dle s LYS 42 CO -0.03 -1.48 0.73 0.42 -0.92 0.00 0.00 175.35 174.06 2dle s ILE 43 N 2.26 5.02 -0.28 2.17 1.09 0.25 -3.12 121.20 128.60 2dle s ILE 43 Ca 0.10 1.49 0.02 0.00 -1.10 0.00 0.00 60.65 61.16 2dle s ILE 43 Cb -0.24 -4.06 0.07 0.00 -1.06 0.00 0.00 42.46 37.17 2dle s ILE 43 CO 0.04 0.22 -0.02 -2.28 -0.10 0.00 0.00 174.94 172.80 2dle s HIS 44 N 0.97 2.87 -0.14 3.97 2.46 -1.16 -1.20 115.29 123.07 2dle s HIS 44 Ca 0.38 -2.21 -0.18 0.00 0.47 0.00 0.00 55.06 53.52 2dle s HIS 44 Cb -0.18 -2.02 -0.04 0.00 -0.13 0.00 0.00 32.58 30.22 2dle s HIS 44 CO 0.18 -0.86 0.49 0.08 -2.47 0.00 0.00 174.74 172.17 2dle s VAL 45 N 1.22 5.16 -0.29 0.89 1.01 0.12 -3.05 120.40 125.46 2dle s VAL 45 Ca -0.01 0.96 0.02 0.00 0.00 0.00 0.00 61.98 62.96 2dle s VAL 45 Cb -0.19 -3.83 0.08 0.00 0.00 0.00 0.00 36.38 32.44 2dle s VAL 45 CO -0.08 0.28 -0.00 0.00 0.00 0.00 0.00 175.10 175.29 2dle s ALA 46 N 0.95 2.34 0.00 5.51 0.00 -1.14 -0.58 121.76 128.84 2dle s ALA 46 Ca 0.26 -1.90 0.00 0.00 0.00 0.00 0.00 51.96 50.32 2dle s ALA 46 Cb -0.15 -1.68 0.00 0.00 0.00 0.00 0.00 23.12 21.29 2dle s ALA 46 CO 0.10 -1.44 0.00 0.41 0.00 0.00 0.00 175.76 174.83 2dle n GLY 47 N 4.50 4.05 3.66 0.00 0.00 0.68 -3.00 105.19 115.07 2dle n GLY 47 Ca -0.05 -1.93 -0.43 0.00 0.00 0.00 0.00 46.02 43.62 2dle n GLY 47 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2dle s GLU 48 N 2.60 4.24 -1.60 1.61 0.41 -1.26 -3.91 118.70 120.78 2dle s GLU 48 Ca 0.00 1.25 -0.19 0.00 -0.41 0.00 0.00 54.97 55.61 2dle s GLU 48 Cb 0.00 -3.64 0.19 0.00 -1.78 0.00 0.00 34.13 28.90 2dle s GLU 48 CO 0.00 -0.60 0.56 0.25 -0.49 0.00 0.00 175.26 174.98 2dle n THR 49 N 5.30 -0.24 -3.63 3.63 -2.24 -1.26 -4.85 114.28 110.99 2dle n THR 49 Ca 0.10 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.83 2dle n THR 49 Cb 0.46 -0.73 -0.06 0.00 -2.10 0.00 0.00 70.33 67.90 2dle n THR 49 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2dle s ASP 50 N -3.08 -0.19 0.12 3.42 1.01 -1.25 -5.19 116.67 111.51 2dle s ASP 50 Ca 0.70 0.29 -0.13 0.00 0.71 0.00 0.00 52.55 54.12 2dle s ASP 50 Cb -0.40 0.27 0.02 0.00 1.01 0.00 0.00 42.92 43.81 2dle s ASP 50 CO 0.86 -0.12 0.32 -0.55 0.21 0.00 0.00 175.17 175.89 2dle s SER 51 N -0.50 -0.08 0.17 0.27 0.15 -1.26 -0.23 113.70 112.21 2dle s SER 51 Ca 0.05 -0.51 -0.04 0.00 0.70 0.00 0.00 55.95 56.15 2dle s SER 51 Cb -0.03 0.43 -0.03 0.00 -1.71 0.00 0.00 66.02 64.68 2dle s SER 51 CO -0.08 -0.83 0.18 -0.94 1.20 0.00 0.00 173.24 172.78 2dle s SER 52 N -2.85 0.15 -0.06 5.45 1.04 0.25 -4.99 113.70 112.70 2dle s SER 52 Ca 0.06 -1.13 -0.10 0.00 0.48 0.00 0.00 55.95 55.26 2dle s SER 52 Cb 0.03 0.39 0.02 0.00 0.10 0.00 0.00 66.02 66.56 2dle s SER 52 CO -0.10 -0.85 0.24 0.20 0.98 0.00 0.00 173.24 173.72 2dle s ASN 53 N -3.05 -0.19 -0.16 7.02 0.01 -1.26 0.11 114.94 117.41 2dle s ASN 53 Ca 0.26 0.28 -0.12 0.00 -0.71 0.00 0.00 52.86 52.57 2dle s ASN 53 Cb 0.05 0.42 0.05 0.00 0.41 0.00 0.00 41.25 42.18 2dle s ASN 53 CO 0.05 -0.22 0.41 -1.48 -1.51 0.00 0.00 177.10 174.35 2dle s LEU 54 N -0.47 0.17 -0.24 0.60 2.34 -0.34 -5.00 118.68 115.74 2dle s LEU 54 Ca -0.06 0.86 -0.06 0.00 0.06 0.00 0.00 54.13 54.93 2dle s LEU 54 Cb -0.04 1.38 -0.02 0.00 -0.56 0.00 0.00 46.19 46.95 2dle s LEU 54 CO 0.01 -0.17 0.03 0.54 -1.06 0.00 0.00 176.35 175.70 2dle s ASN 55 N 0.80 4.80 0.10 1.48 4.22 -1.26 -0.58 114.94 124.49 2dle s ASN 55 Ca -0.05 -0.29 0.09 0.00 -2.14 0.00 0.00 52.86 50.47 2dle s ASN 55 Cb -0.06 -1.85 -0.04 0.00 1.28 0.00 0.00 41.25 40.59 2dle s ASN 55 CO -0.06 -0.03 -0.24 0.68 -2.04 0.00 0.00 177.10 175.41 2dle s VAL 56 N 1.56 1.99 -0.37 3.54 -7.23 -0.51 -4.92 120.40 114.46 2dle s VAL 56 Ca 0.06 -1.58 0.09 0.00 -1.81 0.00 0.00 61.98 58.74 2dle s VAL 56 Cb -0.15 -1.76 0.65 0.00 0.56 0.00 0.00 36.38 35.68 2dle s VAL 56 CO 0.01 0.08 1.63 -1.20 -0.31 0.00 0.00 175.10 175.31 2dle n SER 57 N 1.18 4.52 -4.21 4.85 7.64 -1.26 0.33 113.62 126.67 2dle n SER 57 Ca -0.18 -2.98 -0.14 0.00 1.01 0.00 0.00 58.87 56.57 2dle n SER 57 Cb 0.53 -0.70 -0.10 0.00 -1.01 0.00 0.00 64.21 62.92 2dle n SER 57 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 2dle s GLU 58 N -2.58 0.95 0.00 1.43 -1.05 -1.26 -4.80 118.70 111.39 2dle s GLU 58 Ca 0.47 -1.30 0.10 0.00 -0.15 0.00 0.00 54.97 54.08 2dle s GLU 58 Cb 0.37 -0.59 0.58 0.00 -0.44 0.00 0.00 34.13 34.05 2dle s GLU 58 CO 0.12 0.08 1.02 -0.35 0.95 0.00 0.00 175.26 177.08 2dle n PRO 59 N 0.20 0.49 -4.26 -4.83 -0.04 -1.26 -4.70 135.00 120.59 2dle n PRO 59 Ca -0.13 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.14 2dle n PRO 59 Cb 0.59 -1.31 -0.11 0.00 -0.04 0.00 0.00 33.50 32.63 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 1.08 -0.29 0.54 1.70 -1.26 -2.68 118.95 116.04 2dle s ARG 60 Ca 0.15 -1.30 -0.15 0.00 -0.47 0.00 0.00 55.73 53.96 2dle s ARG 60 Cb 0.07 -0.98 0.13 0.00 -0.57 0.00 0.00 34.95 33.60 2dle s ARG 60 CO 0.11 0.19 0.86 0.00 -1.08 0.00 0.00 175.30 175.38 2dle s ALA 61 N -2.22 -2.21 -0.10 7.88 0.00 -0.96 -4.91 121.76 119.25 2dle s ALA 61 Ca 0.11 2.26 -0.06 0.00 0.00 0.00 0.00 51.96 54.27 2dle s ALA 61 Cb -0.04 -1.70 -0.04 0.00 0.00 0.00 0.00 23.12 21.34 2dle s ALA 61 CO 0.04 -0.53 0.15 0.08 0.00 0.00 0.00 175.76 175.50 2dle s VAL 62 N 1.79 5.49 -0.47 0.00 1.01 -1.26 -0.81 120.40 126.16 2dle s VAL 62 Ca -0.08 0.15 -0.08 0.00 0.00 0.00 0.00 61.98 61.97 2dle s VAL 62 Cb -0.05 -3.43 0.12 0.00 0.00 0.00 0.00 36.38 33.02 2dle s VAL 62 CO -0.17 0.56 0.33 -0.63 0.00 0.00 0.00 175.10 175.20 2dle s ILE 63 N -1.09 4.08 1.15 2.22 -1.09 -0.01 -4.93 121.20 121.53 2dle s ILE 63 Ca 0.17 -1.87 -0.17 0.00 -2.23 0.00 0.00 60.65 56.55 2dle s ILE 63 Cb -0.12 -3.70 0.26 0.00 -1.58 0.00 0.00 42.46 37.32 2dle s ILE 63 CO 0.07 -0.77 1.11 -2.16 -1.23 0.00 0.00 174.94 171.95 2dle s PRO 64 N 1.27 -0.83 -0.95 2.79 0.04 -1.26 -3.14 135.00 132.92 2dle s PRO 64 Ca 0.07 0.07 -0.17 0.00 0.04 0.00 0.00 61.00 61.00 2dle s PRO 64 Cb -0.25 -1.63 0.02 0.00 0.04 0.00 0.00 34.50 32.68 2dle s PRO 64 CO -0.01 -3.48 0.59 0.41 0.04 0.00 0.00 177.00 174.55 2dle n GLY 65 N -1.00 -0.98 4.00 0.56 0.00 -0.79 -4.79 105.19 102.19 2dle n GLY 65 Ca 0.11 0.43 -0.18 0.00 0.00 0.00 0.00 46.02 46.38 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 -6.09 3.68 0.06 0.99 1.43 -1.11 -4.95 118.68 112.68 2dle s LEU 66 Ca 0.24 -0.33 0.02 0.00 -1.03 0.00 0.00 54.13 53.03 2dle s LEU 66 Cb -0.13 -2.71 -0.04 0.00 0.03 0.00 0.00 46.19 43.34 2dle s LEU 66 CO 0.86 -0.74 0.10 -0.60 0.23 0.00 0.00 176.35 176.21 2dle s ARG 67 N -4.36 3.03 -0.05 1.70 3.52 -1.19 -4.16 118.95 117.44 2dle s ARG 67 Ca 0.53 -0.60 -0.14 0.00 -0.13 0.00 0.00 55.73 55.39 2dle s ARG 67 Cb -0.10 -2.82 -0.05 0.00 -1.56 0.00 0.00 34.95 30.42 2dle s ARG 67 CO 0.33 0.59 0.37 -1.54 -0.81 0.00 0.00 175.30 174.25 2dle s SER 68 N -2.27 6.70 -1.26 -2.12 1.04 -1.23 -4.31 113.70 110.25 2dle s SER 68 Ca 0.29 0.84 -0.01 0.00 0.48 0.00 0.00 55.95 57.55 2dle s SER 68 Cb -0.12 -2.23 -0.00 0.00 0.10 0.00 0.00 66.02 63.77 2dle s SER 68 CO 0.21 0.27 0.79 -0.24 0.98 0.00 0.00 173.24 175.26 2dle n SER 69 N 2.28 -1.76 -3.89 7.02 2.88 -1.14 -4.84 113.62 114.18 2dle n SER 69 Ca -0.14 -0.77 -0.11 0.00 -1.33 0.00 0.00 58.87 56.53 2dle n SER 69 Cb 0.52 -4.39 -0.13 0.00 -0.75 0.00 0.00 64.21 59.46 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 -3.57 0.02 0.36 2.46 2.01 -1.26 -5.00 115.64 110.67 2dle s THR 70 Ca 0.03 -0.20 -0.26 0.00 0.31 0.00 0.00 61.69 61.58 2dle s THR 70 Cb -0.01 -0.09 -0.09 0.00 0.01 0.00 0.00 72.50 72.32 2dle s THR 70 CO 0.79 -0.11 1.05 0.12 -0.69 0.00 0.00 174.62 175.78 2dle s PHE 71 N -0.31 3.40 0.03 4.92 5.36 -1.26 -3.60 117.98 126.52 2dle s PHE 71 Ca -0.04 1.68 -0.04 0.00 -0.96 0.00 0.00 56.93 57.57 2dle s PHE 71 Cb -0.02 -3.14 -0.02 0.00 -0.34 0.00 0.00 43.02 39.50 2dle s PHE 71 CO -0.00 -0.49 0.06 0.71 -1.46 0.00 0.00 175.22 174.03 2dle s TYR 72 N -1.53 0.24 -0.28 10.12 2.02 -1.19 -4.59 117.35 122.13 2dle s TYR 72 Ca 0.53 -0.54 -0.01 0.00 -0.37 0.00 0.00 57.07 56.68 2dle s TYR 72 Cb -0.24 -0.17 0.09 0.00 -0.40 0.00 0.00 41.96 41.24 2dle s TYR 72 CO 0.30 -0.32 0.07 -0.80 -1.57 0.00 0.00 175.55 173.24 2dle s ASN 73 N -2.00 3.82 -0.14 2.29 -0.87 -1.16 -3.64 114.94 113.22 2dle s ASN 73 Ca -0.07 -1.45 -0.11 0.00 -1.57 0.00 0.00 52.86 49.66 2dle s ASN 73 Cb -0.03 -0.84 -0.05 0.00 -0.02 0.00 0.00 41.25 40.32 2dle s ASN 73 CO -0.04 -0.38 0.22 -0.63 -2.57 0.00 0.00 177.10 173.70 2dle s ILE 74 N 1.64 5.35 -0.26 0.60 1.01 -1.25 -2.89 121.20 125.40 2dle s ILE 74 Ca 0.07 0.40 0.01 0.00 0.00 0.00 0.00 60.65 61.12 2dle s ILE 74 Cb -0.17 -3.54 0.07 0.00 0.01 0.00 0.00 42.46 38.83 2dle s ILE 74 CO -0.21 0.49 -0.01 -0.89 0.00 0.00 0.00 174.94 174.32 2dle s THR 75 N -0.14 1.50 -0.39 2.92 2.01 -1.17 -3.12 115.64 117.25 2dle s THR 75 Ca 0.15 -1.40 -0.18 0.00 0.31 0.00 0.00 61.69 60.57 2dle s THR 75 Cb -0.13 -1.88 0.01 0.00 0.01 0.00 0.00 72.50 70.51 2dle s THR 75 CO 0.03 -0.28 0.49 -0.69 -0.69 0.00 0.00 174.62 173.48 2dle s VAL 76 N 1.37 5.03 -0.24 3.82 1.01 -0.81 -2.97 120.40 127.61 2dle s VAL 76 Ca -0.00 0.04 -0.04 0.00 0.00 0.00 0.00 61.98 61.98 2dle s VAL 76 Cb -0.19 -4.01 0.01 0.00 0.00 0.00 0.00 36.38 32.19 2dle s VAL 76 CO -0.10 -0.33 -0.03 0.00 0.00 0.00 0.00 175.10 174.65 2dle s PRO 78 N 1.44 4.43 -0.18 0.00 0.04 -1.26 -1.79 135.00 137.67 2dle s PRO 78 Ca 0.04 2.05 -0.05 0.00 0.04 0.00 0.00 61.00 63.08 2dle s PRO 78 Cb -0.15 -3.16 0.07 0.00 0.04 0.00 0.00 34.50 31.29 2dle s PRO 78 CO -0.03 -0.15 0.10 0.08 0.04 0.00 0.00 177.00 177.05 2dle s VAL 79 N -0.49 -0.11 -0.26 -0.36 1.01 0.73 -1.39 120.40 119.53 2dle s VAL 79 Ca 0.52 -0.20 -0.05 0.00 0.00 0.00 0.00 61.98 62.25 2dle s VAL 79 Cb -0.37 -0.61 -0.08 0.00 0.00 0.00 0.00 36.38 35.33 2dle s VAL 79 CO 0.43 -0.31 3.13 -0.11 0.00 0.00 0.00 175.10 178.24 2dle n LEU 80 N 5.28 5.95 0.00 3.92 0.00 -0.64 -0.25 117.00 131.27 2dle n LEU 80 Ca -0.07 -3.69 0.00 0.00 0.00 0.00 0.00 56.01 52.25 2dle n LEU 80 Cb 0.48 -1.31 0.00 0.00 0.00 0.00 0.00 43.42 42.59 2dle n LEU 80 CO 0.09 1.72 0.00 0.61 0.00 0.00 0.00 177.39 179.81 2dle n GLY 81 N 1.55 1.63 0.13 -3.96 0.00 -1.24 -4.09 105.19 99.22 2dle n GLY 81 Ca 0.46 -0.56 0.04 0.00 0.00 0.00 0.00 46.02 45.97 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 3.90 0.88 -4.84 1.61 5.68 -1.26 -5.00 116.55 117.52 2dle n ASP 82 Ca 0.00 -0.94 -0.28 0.00 -0.50 0.00 0.00 54.79 53.07 2dle n ASP 82 Cb 0.00 0.68 -0.05 0.00 -1.14 0.00 0.00 41.12 40.61 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 -1.53 4.78 0.15 2.12 1.01 -1.26 -5.13 121.20 121.35 2dle s ILE 83 Ca 0.06 -0.83 0.05 0.00 0.00 0.00 0.00 60.65 59.93 2dle s ILE 83 Cb 0.07 -3.40 -0.04 0.00 0.01 0.00 0.00 42.46 39.10 2dle s ILE 83 CO 0.29 -0.01 -0.12 -1.61 0.00 0.00 0.00 174.94 173.49 2dle s GLU 84 N -2.88 1.10 0.00 2.79 2.02 -1.26 -1.62 118.70 118.85 2dle s GLU 84 Ca 0.32 -1.41 0.00 0.00 0.02 0.00 0.00 54.97 53.89 2dle s GLU 84 Cb -0.11 -0.80 0.00 0.00 0.10 0.00 0.00 34.13 33.32 2dle s GLU 84 CO 0.25 0.12 0.00 0.41 0.02 0.00 0.00 175.26 176.06 2dle n GLY 85 N -0.02 6.80 3.66 -1.39 0.00 -0.49 -4.89 105.19 108.87 2dle n GLY 85 Ca -0.11 -1.81 -0.41 0.00 0.00 0.00 0.00 46.02 43.68 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 0.55 4.88 0.07 2.61 2.01 -1.03 -4.71 115.64 120.02 2dle s THR 86 Ca 0.00 1.56 -0.31 0.00 0.31 0.00 0.00 61.69 63.26 2dle s THR 86 Cb 0.00 -4.11 -0.07 0.00 0.01 0.00 0.00 72.50 68.33 2dle s THR 86 CO 0.00 0.00 1.40 -2.16 -0.69 0.00 0.00 174.62 173.17 2dle s PRO 87 N 2.35 4.31 -0.24 4.92 0.04 -1.26 -3.47 135.00 141.64 2dle s PRO 87 Ca 0.36 2.03 -0.20 0.00 0.04 0.00 0.00 61.00 63.23 2dle s PRO 87 Cb -0.16 -3.39 -0.02 0.00 0.04 0.00 0.00 34.50 30.96 2dle s PRO 87 CO 0.10 -0.49 0.60 0.20 0.04 0.00 0.00 177.00 177.45 2dle s GLY 88 N 1.46 1.87 0.01 0.56 0.00 0.91 -4.85 107.32 107.29 2dle s GLY 88 Ca 0.64 -0.43 -0.07 0.00 0.00 0.00 0.00 44.72 44.86 2dle s GLY 88 CO 0.29 1.36 0.27 -1.36 0.00 0.00 0.00 173.10 173.66 2dle s PHE 89 N 2.31 3.58 -0.22 1.90 0.40 -1.26 -1.93 117.98 122.76 2dle s PHE 89 Ca 0.26 0.58 -0.05 0.00 -0.60 0.00 0.00 56.93 57.11 2dle s PHE 89 Cb -0.16 -2.00 0.11 0.00 0.51 0.00 0.00 43.02 41.49 2dle s PHE 89 CO 0.09 0.61 0.42 -1.17 0.70 0.00 0.00 175.22 175.87 2dle s LEU 90 N -1.76 -0.69 0.04 -0.37 2.96 -1.18 -4.94 118.68 112.75 2dle s LEU 90 Ca 0.28 0.75 -0.30 0.00 -0.22 0.00 0.00 54.13 54.63 2dle s LEU 90 Cb -0.13 1.34 -0.05 0.00 0.50 0.00 0.00 46.19 47.85 2dle s LEU 90 CO 0.16 -0.26 1.11 -1.10 -1.32 0.00 0.00 176.35 174.95 2dle s GLN 91 N 2.61 4.49 0.03 1.98 -0.21 -1.26 -3.93 119.66 123.37 2dle s GLN 91 Ca 0.04 1.63 0.05 0.00 0.02 0.00 0.00 55.36 57.11 2dle s GLN 91 Cb -0.13 -3.39 -0.02 0.00 1.00 0.00 0.00 33.01 30.47 2dle s GLN 91 CO -0.14 -0.16 -0.15 0.14 -2.12 0.00 0.00 175.29 172.85 2dle s VAL 92 N 0.98 1.21 -0.35 1.09 -7.23 -1.24 -5.07 120.40 109.80 2dle s VAL 92 Ca 0.56 -0.96 0.02 0.00 -1.81 0.00 0.00 61.98 59.78 2dle s VAL 92 Cb -0.26 -1.07 0.11 0.00 0.56 0.00 0.00 36.38 35.71 2dle s VAL 92 CO 0.29 0.10 0.10 -1.00 -0.31 0.00 0.00 175.10 174.28 2dle s HIS 93 N -0.75 2.63 0.40 2.82 3.76 -1.26 -3.19 115.29 119.70 2dle s HIS 93 Ca 0.03 -2.39 -0.24 0.00 -0.15 0.00 0.00 55.06 52.31 2dle s HIS 93 Cb -0.08 -2.28 -0.12 0.00 1.11 0.00 0.00 32.58 31.22 2dle s HIS 93 CO 0.01 -0.89 0.86 0.25 -0.85 0.00 0.00 174.74 174.12 2dle n THR 94 N 4.39 2.21 -2.16 1.30 -2.24 -1.24 -4.93 114.28 111.62 2dle n THR 94 Ca 0.02 -0.50 -0.35 0.00 -2.27 0.00 0.00 64.05 60.95 2dle n THR 94 Cb 0.41 -0.92 0.01 0.00 -2.10 0.00 0.00 70.33 67.73 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 -1.82 3.24 -0.14 -0.78 0.04 -1.26 -2.94 135.00 131.35 2dle s PRO 95 Ca 0.63 1.56 -0.29 0.00 0.04 0.00 0.00 61.00 62.94 2dle s PRO 95 Cb -0.60 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 31.91 2dle s PRO 95 CO 0.57 -0.93 1.55 -1.25 0.04 0.00 0.00 177.00 176.99 2dle s PRO 96 N -3.45 4.05 0.08 0.56 0.04 -1.26 -2.90 135.00 132.12 2dle s PRO 96 Ca 0.72 1.88 -0.30 0.00 0.04 0.00 0.00 61.00 63.33 2dle s PRO 96 Cb -0.23 -3.96 -0.09 0.00 0.04 0.00 0.00 34.50 30.26 2dle s PRO 96 CO 0.30 -0.98 1.88 0.54 0.04 0.00 0.00 177.00 178.78 2dle s VAL 97 N 4.35 2.80 -2.00 -0.36 0.11 -1.26 -4.84 120.40 119.19 2dle s VAL 97 Ca 0.68 0.07 0.11 0.00 -2.93 0.00 0.00 61.98 59.91 2dle s VAL 97 Cb -0.28 -3.04 0.32 0.00 -1.53 0.00 0.00 36.38 31.85 2dle s VAL 97 CO 0.26 -0.00 1.10 -0.81 -3.33 0.00 0.00 175.10 172.32 2dle n PRO 98 N 6.58 0.49 -3.86 1.54 -0.04 -1.26 -4.83 135.00 133.61 2dle n PRO 98 Ca 0.19 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.36 2dle n PRO 98 Cb 0.40 -1.36 0.03 0.00 -0.04 0.00 0.00 33.50 32.53 2dle n PRO 98 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2dle n SER 99 N -0.86 -4.66 0.00 3.54 3.41 -1.26 -4.58 113.62 109.22 2dle n SER 99 Ca 0.08 -0.76 0.00 0.00 -0.26 0.00 0.00 58.87 57.94 2dle n SER 99 Cb 0.04 -4.02 0.00 0.00 -0.26 0.00 0.00 64.21 59.97 2dle n SER 99 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dle n GLY 100 N -1.72 -0.15 3.60 5.00 0.00 -1.26 -4.64 105.19 106.02 2dle n GLY 100 Ca 0.01 -1.02 -0.43 0.00 0.00 0.00 0.00 46.02 44.58 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 0.00 3.35 0.29 1.61 0.04 -1.26 -4.95 135.00 134.08 2dle s PRO 101 Ca 0.00 1.26 -0.10 0.00 0.04 0.00 0.00 61.00 62.20 2dle s PRO 101 Cb 0.00 -4.17 0.00 0.00 0.04 0.00 0.00 34.50 30.38 2dle s PRO 101 CO 0.00 -1.84 0.50 -1.12 0.04 0.00 0.00 177.00 174.58 2dle s SER 102 N 5.68 0.24 -0.06 6.66 0.01 -1.26 -5.08 113.70 119.90 2dle s SER 102 Ca 0.74 -1.14 -0.26 0.00 1.31 0.00 0.00 55.95 56.60 2dle s SER 102 Cb -0.20 0.63 -0.23 0.00 0.21 0.00 0.00 66.02 66.44 2dle s SER 102 CO 0.33 -1.24 1.06 0.77 0.41 0.00 0.00 173.24 174.57 2dle h SER 103 N 2.19 0.08 0.00 2.44 4.64 -1.94 -3.53 113.55 117.44 2dle h SER 103 Ca -0.28 -0.72 0.00 0.00 -0.47 0.00 0.00 61.79 60.33 2dle h SER 103 Cb 1.25 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 2dle h SER 103 CO 0.37 0.78 0.00 0.61 -0.87 0.00 0.00 176.83 177.73