#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 5.94 0.12 1.61 0.01 -1.26 -5.07 113.70 115.05 2dle s SER 2 Ca 0.00 0.08 -0.31 0.00 1.31 0.00 0.00 55.95 57.03 2dle s SER 2 Cb 0.00 -1.70 -0.07 0.00 0.21 0.00 0.00 66.02 64.46 2dle s SER 2 CO 0.00 0.12 1.30 -0.44 0.41 0.00 0.00 173.24 174.63 2dle s SER 3 N -2.81 6.94 0.00 2.44 0.01 -1.26 -4.88 113.70 114.14 2dle s SER 3 Ca 0.32 2.25 0.00 0.00 1.31 0.00 0.00 55.95 59.83 2dle s SER 3 Cb -0.12 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.52 2dle s SER 3 CO 0.25 -0.55 0.00 0.61 0.41 0.00 0.00 173.24 173.97 2dle n GLY 4 N 3.05 -0.29 3.30 3.44 0.00 -1.26 -5.13 105.19 108.30 2dle n GLY 4 Ca 0.09 0.05 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 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 0.03 -1.05 0.20 1.61 0.01 -1.26 -4.86 113.70 108.39 2dle s SER 5 Ca 0.00 0.91 -0.22 0.00 1.31 0.00 0.00 55.95 57.95 2dle s SER 5 Cb 0.00 -1.30 0.13 0.00 0.21 0.00 0.00 66.02 65.06 2dle s SER 5 CO 0.00 -5.36 1.55 0.28 0.41 0.00 0.00 173.24 170.11 2dle h SER 6 N -3.42 -1.67 0.00 2.44 0.02 -2.00 -3.43 113.55 105.49 2dle h SER 6 Ca -0.45 0.31 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 2dle h SER 6 Cb 1.34 0.82 0.00 0.00 0.14 0.00 0.00 62.40 64.70 2dle h SER 6 CO 0.29 -0.27 0.00 0.61 -1.14 0.00 0.00 176.83 176.32 2dle n GLY 7 N -1.40 1.40 2.80 -3.77 0.00 -1.26 -5.15 105.19 97.81 2dle n GLY 7 Ca 0.07 0.49 -0.34 0.00 0.00 0.00 0.00 46.02 46.25 2dle n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dle n ALA 8 N 0.00 -4.91 -2.59 4.61 0.00 -1.26 -4.76 120.51 111.59 2dle n ALA 8 Ca 0.00 -0.54 -0.41 0.00 0.00 0.00 0.00 53.44 52.49 2dle n ALA 8 Cb 0.00 -1.09 -0.03 0.00 0.00 0.00 0.00 19.45 18.33 2dle n ALA 8 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2dle s ILE 9 N -1.84 3.81 0.10 0.00 1.01 -1.26 -4.91 121.20 118.11 2dle s ILE 9 Ca 0.39 0.24 0.08 0.00 0.00 0.00 0.00 60.65 61.37 2dle s ILE 9 Cb -0.21 -4.90 -0.03 0.00 0.01 0.00 0.00 42.46 37.33 2dle s ILE 9 CO 0.74 -1.81 -0.21 -1.58 0.00 0.00 0.00 174.94 172.08 2dle s GLN 10 N 5.47 1.16 -0.22 2.79 0.74 -1.26 -2.40 119.66 125.95 2dle s GLN 10 Ca 0.34 -1.15 -0.08 0.00 0.05 0.00 0.00 55.36 54.52 2dle s GLN 10 Cb -0.09 -1.43 -0.04 0.00 1.10 0.00 0.00 33.01 32.56 2dle s GLN 10 CO 0.13 0.34 0.09 0.08 -0.55 0.00 0.00 175.29 175.38 2dle s VAL 11 N -1.12 4.77 0.30 1.34 1.01 -1.23 -3.30 120.40 122.18 2dle s VAL 11 Ca 0.07 -0.03 0.03 0.00 0.00 0.00 0.00 61.98 62.05 2dle s VAL 11 Cb -0.10 -3.20 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 2dle s VAL 11 CO 0.04 0.39 0.16 0.72 0.00 0.00 0.00 175.10 176.41 2dle s PHE 12 N 0.98 1.59 -1.25 5.22 -0.71 -0.66 -4.58 117.98 118.57 2dle s PHE 12 Ca 0.05 -1.38 -0.04 0.00 -1.04 0.00 0.00 56.93 54.52 2dle s PHE 12 Cb -0.14 -0.85 0.00 0.00 -1.21 0.00 0.00 43.02 40.83 2dle s PHE 12 CO 0.03 -0.53 0.56 -3.47 -1.34 0.00 0.00 175.22 170.47 2dle n ASP 13 N -0.93 -5.33 -4.65 1.98 2.03 -1.26 0.07 116.55 108.45 2dle n ASP 13 Ca 0.01 -0.26 -0.43 0.00 0.52 0.00 0.00 54.79 54.63 2dle n ASP 13 Cb 0.65 -4.15 -0.02 0.00 -0.72 0.00 0.00 41.12 36.88 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 -3.09 4.59 0.15 5.18 1.01 -1.26 -3.99 120.40 123.00 2dle s VAL 14 Ca 0.28 1.90 -0.13 0.00 0.00 0.00 0.00 61.98 64.03 2dle s VAL 14 Cb -0.12 -4.31 0.01 0.00 0.00 0.00 0.00 36.38 31.97 2dle s VAL 14 CO 0.34 -0.25 0.35 -0.89 0.00 0.00 0.00 175.10 174.65 2dle s THR 15 N 3.36 0.07 -0.43 3.92 2.01 0.47 -4.95 115.64 120.10 2dle s THR 15 Ca 0.46 -0.99 -0.15 0.00 0.31 0.00 0.00 61.69 61.32 2dle s THR 15 Cb -0.15 -1.50 0.04 0.00 0.01 0.00 0.00 72.50 70.89 2dle s THR 15 CO 0.09 -0.33 0.33 0.00 -0.69 0.00 0.00 174.62 174.02 2dle s ALA 16 N -3.88 3.50 0.48 7.40 0.00 -1.26 -0.59 121.76 127.41 2dle s ALA 16 Ca 0.09 -1.84 0.30 0.00 0.00 0.00 0.00 51.96 50.51 2dle s ALA 16 Cb 0.02 -2.94 1.66 0.00 0.00 0.00 0.00 23.12 21.86 2dle s ALA 16 CO -0.06 -1.54 2.16 -0.39 0.00 0.00 0.00 175.76 175.92 2dle h VAL 17 N 5.67 0.48 -1.68 0.00 -1.51 -1.91 -3.43 116.25 113.88 2dle h VAL 17 Ca -0.27 -0.31 0.07 0.00 -1.23 0.00 0.00 66.70 64.95 2dle h VAL 17 Cb 1.12 1.21 -0.25 0.00 -2.13 0.00 0.00 31.29 31.23 2dle h VAL 17 CO 0.78 0.06 0.31 0.21 -1.23 0.00 0.00 177.57 177.70 2dle s ASN 18 N -6.04 -0.60 -0.27 4.19 2.47 -1.26 -5.05 114.94 108.38 2dle s ASN 18 Ca -0.04 1.01 0.02 0.00 0.42 0.00 0.00 52.86 54.28 2dle s ASN 18 Cb 0.14 1.18 0.07 0.00 -1.45 0.00 0.00 41.25 41.18 2dle s ASN 18 CO 0.55 -0.16 -0.04 -0.63 -3.72 0.00 0.00 177.10 173.09 2dle s ILE 19 N 1.05 1.91 0.50 -5.21 1.01 -1.26 -0.40 121.20 118.80 2dle s ILE 19 Ca -0.05 -1.64 -0.03 0.00 0.00 0.00 0.00 60.65 58.92 2dle s ILE 19 Cb -0.04 -2.18 0.10 0.00 0.01 0.00 0.00 42.46 40.35 2dle s ILE 19 CO -0.13 -0.22 0.69 -1.20 0.00 0.00 0.00 174.94 174.08 2dle n SER 20 N 4.49 0.64 0.05 3.58 7.64 0.16 -4.62 113.62 125.56 2dle n SER 20 Ca -0.09 -1.60 -0.21 0.00 1.01 0.00 0.00 58.87 57.98 2dle n SER 20 Cb 0.43 -0.47 -0.15 0.00 -1.01 0.00 0.00 64.21 63.01 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 -0.91 -0.05 -0.32 -0.43 0.00 -1.93 -3.35 119.26 112.27 2dle h ALA 21 Ca -0.23 -0.78 -0.01 0.00 0.00 0.00 0.00 54.91 53.89 2dle h ALA 21 Cb 0.76 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 2dle h ALA 21 CO 0.21 0.49 0.00 0.25 0.00 0.00 0.00 179.25 180.21 2dle n THR 22 N -4.05 2.38 -3.61 0.00 -2.24 -1.26 -3.71 114.28 101.80 2dle n THR 22 Ca -0.16 -1.85 -0.05 0.00 -2.27 0.00 0.00 64.05 59.73 2dle n THR 22 Cb 0.87 -0.27 -0.02 0.00 -2.10 0.00 0.00 70.33 68.82 2dle n THR 22 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2dle s SER 23 N -1.79 -0.22 -0.28 3.42 0.15 -1.26 -1.68 113.70 112.05 2dle s SER 23 Ca 0.44 -0.14 -0.14 0.00 0.70 0.00 0.00 55.95 56.81 2dle s SER 23 Cb 0.36 0.33 0.09 0.00 -1.71 0.00 0.00 66.02 65.09 2dle s SER 23 CO 0.10 -0.58 0.66 -1.48 1.20 0.00 0.00 173.24 173.14 2dle s LEU 24 N -2.64 -0.92 -0.00 3.45 0.05 -1.19 0.35 118.68 117.78 2dle s LEU 24 Ca 0.09 1.48 -0.17 0.00 0.05 0.00 0.00 54.13 55.59 2dle s LEU 24 Cb -0.00 2.29 -0.06 0.00 -2.05 0.00 0.00 46.19 46.38 2dle s LEU 24 CO -0.04 -0.23 0.46 -0.89 -0.55 0.00 0.00 176.35 175.10 2dle s THR 25 N 1.85 4.98 0.03 5.48 2.01 0.46 -1.88 115.64 128.58 2dle s THR 25 Ca -0.09 0.96 0.09 0.00 0.31 0.00 0.00 61.69 62.95 2dle s THR 25 Cb -0.06 -3.78 -0.03 0.00 0.01 0.00 0.00 72.50 68.64 2dle s THR 25 CO -0.19 0.53 -0.26 -0.22 -0.69 0.00 0.00 174.62 173.79 2dle s LEU 26 N -0.77 2.15 0.01 4.42 2.96 -1.05 -3.48 118.68 122.92 2dle s LEU 26 Ca 0.25 -0.56 0.00 0.00 -0.22 0.00 0.00 54.13 53.61 2dle s LEU 26 Cb -0.17 -1.26 -0.01 0.00 0.50 0.00 0.00 46.19 45.25 2dle s LEU 26 CO 0.14 0.26 -0.02 0.27 -1.32 0.00 0.00 176.35 175.68 2dle s ILE 27 N -0.77 0.08 0.06 6.68 -4.36 0.24 -2.22 121.20 120.92 2dle s ILE 27 Ca 0.11 -0.63 -0.17 0.00 -0.26 0.00 0.00 60.65 59.71 2dle s ILE 27 Cb -0.10 -0.19 0.03 0.00 1.25 0.00 0.00 42.46 43.46 2dle s ILE 27 CO 0.01 -0.34 0.38 -1.66 0.24 0.00 0.00 174.94 173.58 2dle s TRP 28 N -1.00 -0.21 -0.15 1.37 -2.14 -0.69 -0.39 118.94 115.73 2dle s TRP 28 Ca -0.11 0.08 -0.02 0.00 2.66 0.00 0.00 56.10 58.71 2dle s TRP 28 Cb -0.07 0.20 -0.02 0.00 -3.10 0.00 0.00 33.47 30.48 2dle s TRP 28 CO -0.01 -0.59 -0.08 0.21 -2.66 0.00 0.00 176.95 173.82 2dle s LYS 29 N -2.84 3.53 0.08 3.25 2.20 0.11 -4.79 119.74 121.28 2dle s LYS 29 Ca -0.03 -0.60 -0.08 0.00 -0.36 0.00 0.00 55.97 54.90 2dle s LYS 29 Cb 0.00 -2.79 -0.06 0.00 -1.51 0.00 0.00 37.83 33.47 2dle s LYS 29 CO -0.05 0.20 0.37 0.08 -0.36 0.00 0.00 175.35 175.59 2dle s VAL 30 N 0.42 5.15 -0.63 4.02 1.01 -1.26 -1.66 120.40 127.45 2dle s VAL 30 Ca -0.07 0.29 -0.27 0.00 0.00 0.00 0.00 61.98 61.93 2dle s VAL 30 Cb -0.15 -3.62 -0.00 0.00 0.00 0.00 0.00 36.38 32.60 2dle s VAL 30 CO 0.04 0.23 1.66 -0.55 0.00 0.00 0.00 175.10 176.48 2dle s SER 31 N -1.93 5.61 -0.75 3.32 0.15 -1.21 -4.85 113.70 114.05 2dle s SER 31 Ca 0.34 0.16 -0.16 0.00 0.70 0.00 0.00 55.95 56.99 2dle s SER 31 Cb -0.13 -2.54 -0.20 0.00 -1.71 0.00 0.00 66.02 61.44 2dle s SER 31 CO 0.19 -2.15 1.85 -0.67 1.20 0.00 0.00 173.24 173.67 2dle n ASP 32 N 11.46 -0.35 -4.95 5.45 -0.08 -1.26 -4.85 116.55 121.97 2dle n ASP 32 Ca 0.15 -0.10 -0.23 0.00 -1.51 0.00 0.00 54.79 53.10 2dle n ASP 32 Cb 0.51 -0.56 -0.00 0.00 2.34 0.00 0.00 41.12 43.40 2dle n ASP 32 CO 0.00 0.00 0.00 0.21 0.12 0.00 0.00 177.20 177.53 2dle s ASN 33 N 3.87 6.13 0.44 1.67 3.84 -1.26 -4.95 114.94 124.68 2dle s ASN 33 Ca 1.01 0.31 0.34 0.00 0.21 0.00 0.00 52.86 54.72 2dle s ASN 33 Cb -0.81 -1.79 1.49 0.00 -0.55 0.00 0.00 41.25 39.58 2dle s ASN 33 CO 0.39 -0.42 1.53 1.21 -2.79 0.00 0.00 177.10 177.03 2dle n GLU 34 N -1.84 -0.03 -3.37 0.43 2.13 -1.26 -3.80 120.64 112.90 2dle n GLU 34 Ca -0.03 1.21 -0.11 0.00 0.66 0.00 0.00 57.16 58.90 2dle n GLU 34 Cb 0.57 -2.43 -0.09 0.00 0.27 0.00 0.00 31.44 29.76 2dle n GLU 34 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 2dle s SER 35 N -4.23 0.50 -0.48 4.31 0.01 -1.26 -5.02 113.70 107.53 2dle s SER 35 Ca -0.07 0.06 0.03 0.00 1.31 0.00 0.00 55.95 57.28 2dle s SER 35 Cb 0.30 0.97 0.46 0.00 0.21 0.00 0.00 66.02 67.96 2dle s SER 35 CO 0.81 -0.31 1.63 -1.20 0.41 0.00 0.00 173.24 174.58 2dle n SER 36 N 5.35 6.21 -4.92 2.44 7.64 -1.25 -5.01 113.62 124.09 2dle n SER 36 Ca -0.04 -3.77 -0.29 0.00 1.01 0.00 0.00 58.87 55.78 2dle n SER 36 Cb 0.50 -0.67 -0.04 0.00 -1.01 0.00 0.00 64.21 62.99 2dle n SER 36 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dle s SER 37 N -2.66 6.41 -1.77 6.43 1.04 -1.26 -4.24 113.70 117.65 2dle s SER 37 Ca 0.58 0.40 0.00 0.00 0.48 0.00 0.00 55.95 57.41 2dle s SER 37 Cb 0.46 -2.01 0.00 0.00 0.10 0.00 0.00 66.02 64.57 2dle s SER 37 CO 0.01 0.05 0.00 0.59 0.98 0.00 0.00 173.24 174.88 2dle n ASN 38 N -0.18 -5.21 -4.70 7.02 3.02 -1.26 -4.92 115.26 109.04 2dle n ASN 38 Ca -0.04 0.22 -0.42 0.00 -0.03 0.00 0.00 54.58 54.30 2dle n ASN 38 Cb 0.52 -4.48 -0.03 0.00 -0.61 0.00 0.00 39.78 35.19 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 -2.79 3.29 0.40 3.10 1.51 -1.26 -4.69 117.35 116.91 2dle s TYR 39 Ca 0.00 1.26 0.08 0.00 -1.01 0.00 0.00 57.07 57.40 2dle s TYR 39 Cb 0.00 -3.41 -0.02 0.00 -0.11 0.00 0.00 41.96 38.42 2dle s TYR 39 CO 0.00 -1.25 0.35 0.95 -1.11 0.00 0.00 175.55 174.50 2dle s THR 40 N 1.78 2.86 -0.14 -0.71 -4.23 -0.86 -4.44 115.64 109.89 2dle s THR 40 Ca 0.57 -1.36 -0.04 0.00 -1.18 0.00 0.00 61.69 59.68 2dle s THR 40 Cb -0.26 -3.04 0.07 0.00 1.34 0.00 0.00 72.50 70.61 2dle s THR 40 CO 0.25 -0.04 0.19 -0.31 -0.54 0.00 0.00 174.62 174.16 2dle s TYR 41 N -2.44 -0.21 -0.59 3.99 2.02 -0.19 -2.51 117.35 117.42 2dle s TYR 41 Ca 0.46 0.45 -0.19 0.00 -0.37 0.00 0.00 57.07 57.42 2dle s TYR 41 Cb -0.04 -0.30 0.10 0.00 -0.40 0.00 0.00 41.96 41.32 2dle s TYR 41 CO 0.27 -0.42 0.71 0.15 -1.57 0.00 0.00 175.55 174.70 2dle s LYS 42 N 2.31 3.06 -0.26 -0.62 1.02 -0.96 -2.40 119.74 121.89 2dle s LYS 42 Ca 0.04 -1.24 -0.24 0.00 0.02 0.00 0.00 55.97 54.55 2dle s LYS 42 Cb -0.14 -4.25 -0.00 0.00 -0.52 0.00 0.00 37.83 32.93 2dle s LYS 42 CO -0.09 -1.52 0.83 0.42 -0.92 0.00 0.00 175.35 174.07 2dle s ILE 43 N 2.77 4.82 -0.44 2.17 1.09 -0.40 -3.22 121.20 127.98 2dle s ILE 43 Ca 0.13 1.50 -0.06 0.00 -1.10 0.00 0.00 60.65 61.11 2dle s ILE 43 Cb -0.23 -4.13 0.12 0.00 -1.06 0.00 0.00 42.46 37.15 2dle s ILE 43 CO 0.07 -0.12 0.28 -2.28 -0.10 0.00 0.00 174.94 172.79 2dle s HIS 44 N 2.89 3.51 0.13 3.97 2.46 -0.95 -2.10 115.29 125.20 2dle s HIS 44 Ca 0.35 -2.15 -0.24 0.00 0.47 0.00 0.00 55.06 53.49 2dle s HIS 44 Cb -0.15 -3.37 -0.07 0.00 -0.13 0.00 0.00 32.58 28.86 2dle s HIS 44 CO 0.09 -0.98 0.72 0.08 -2.47 0.00 0.00 174.74 172.17 2dle s VAL 45 N 1.23 4.49 -0.23 0.89 1.01 0.61 -3.17 120.40 125.23 2dle s VAL 45 Ca 0.07 1.57 -0.02 0.00 0.00 0.00 0.00 61.98 63.60 2dle s VAL 45 Cb -0.24 -4.07 0.07 0.00 0.00 0.00 0.00 36.38 32.13 2dle s VAL 45 CO -0.03 0.52 0.03 0.00 0.00 0.00 0.00 175.10 175.63 2dle s ALA 46 N -1.06 1.34 0.48 5.51 0.00 -1.11 -1.10 121.76 125.83 2dle s ALA 46 Ca 0.34 -1.09 -0.00 0.00 0.00 0.00 0.00 51.96 51.21 2dle s ALA 46 Cb -0.22 -1.35 0.04 0.00 0.00 0.00 0.00 23.12 21.59 2dle s ALA 46 CO 0.24 -1.31 0.25 0.41 0.00 0.00 0.00 175.76 175.35 2dle n GLY 47 N 4.92 0.68 0.36 0.00 0.00 0.78 -2.60 105.19 109.33 2dle n GLY 47 Ca -0.08 -1.96 -0.04 0.00 0.00 0.00 0.00 46.02 43.94 2dle n GLY 47 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2dle n GLU 48 N -1.46 -0.27 0.00 1.61 0.00 -1.26 -4.15 120.64 115.11 2dle n GLU 48 Ca 0.04 1.41 0.00 0.00 0.00 0.00 0.00 57.16 58.61 2dle n GLU 48 Cb 0.14 -2.09 0.00 0.00 0.00 0.00 0.00 31.44 29.50 2dle n GLU 48 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 2dle n THR 49 N -5.29 0.00 -2.10 6.31 -2.24 -1.26 -5.10 114.28 104.60 2dle n THR 49 Ca 0.07 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.57 2dle n THR 49 Cb 0.33 -0.25 0.16 0.00 -2.10 0.00 0.00 70.33 68.47 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 -3.23 3.45 0.21 3.42 1.47 -1.26 -5.12 116.67 115.61 2dle s ASP 50 Ca 0.00 0.12 -0.16 0.00 1.18 0.00 0.00 52.55 53.69 2dle s ASP 50 Cb 0.00 -0.25 0.02 0.00 -0.34 0.00 0.00 42.92 42.34 2dle s ASP 50 CO 0.00 -2.50 0.50 -0.94 0.68 0.00 0.00 175.17 172.91 2dle s SER 51 N -4.85 -0.19 0.17 2.11 1.04 -1.26 -0.16 113.70 110.57 2dle s SER 51 Ca 0.72 -0.62 -0.03 0.00 0.48 0.00 0.00 55.95 56.49 2dle s SER 51 Cb -0.04 0.57 -0.03 0.00 0.10 0.00 0.00 66.02 66.62 2dle s SER 51 CO 0.51 -1.07 0.16 -0.44 0.98 0.00 0.00 173.24 173.38 2dle s SER 52 N -2.92 0.16 -0.02 7.02 0.01 -0.25 -4.96 113.70 112.75 2dle s SER 52 Ca 0.13 -1.19 -0.17 0.00 1.31 0.00 0.00 55.95 56.03 2dle s SER 52 Cb -0.01 0.38 0.03 0.00 0.21 0.00 0.00 66.02 66.63 2dle s SER 52 CO 0.00 -0.84 0.36 0.54 0.41 0.00 0.00 173.24 173.71 2dle s ASN 53 N -3.07 -0.26 -0.09 2.44 2.20 -1.26 -0.28 114.94 114.62 2dle s ASN 53 Ca 0.28 0.18 -0.25 0.00 -0.94 0.00 0.00 52.86 52.14 2dle s ASN 53 Cb 0.06 0.35 0.06 0.00 -2.00 0.00 0.00 41.25 39.72 2dle s ASN 53 CO 0.06 -0.46 0.59 -1.48 -2.94 0.00 0.00 177.10 172.87 2dle s LEU 54 N -1.27 -0.28 -0.15 3.54 2.34 -0.89 -5.01 118.68 116.96 2dle s LEU 54 Ca -0.13 0.74 0.01 0.00 0.06 0.00 0.00 54.13 54.81 2dle s LEU 54 Cb -0.04 2.18 -0.00 0.00 -0.56 0.00 0.00 46.19 47.76 2dle s LEU 54 CO 0.05 -0.47 -0.16 0.54 -1.06 0.00 0.00 176.35 175.25 2dle s ASN 55 N -0.80 3.63 0.01 1.48 2.20 -1.26 -1.27 114.94 118.92 2dle s ASN 55 Ca -0.08 -0.47 0.01 0.00 -0.94 0.00 0.00 52.86 51.37 2dle s ASN 55 Cb -0.02 -1.55 -0.01 0.00 -2.00 0.00 0.00 41.25 37.67 2dle s ASN 55 CO 0.06 0.10 -0.03 0.68 -2.94 0.00 0.00 177.10 174.97 2dle s VAL 56 N 0.74 0.17 -0.37 3.54 -7.23 -1.01 -4.97 120.40 111.27 2dle s VAL 56 Ca -0.07 -0.36 0.02 0.00 -1.81 0.00 0.00 61.98 59.76 2dle s VAL 56 Cb -0.16 -0.20 0.47 0.00 0.56 0.00 0.00 36.38 37.06 2dle s VAL 56 CO 0.01 -0.13 1.76 -1.20 -0.31 0.00 0.00 175.10 175.23 2dle n SER 57 N 2.55 4.28 -4.14 4.85 7.64 -1.26 -1.02 113.62 126.51 2dle n SER 57 Ca -0.16 -3.26 -0.13 0.00 1.01 0.00 0.00 58.87 56.33 2dle n SER 57 Cb 0.58 -0.81 -0.11 0.00 -1.01 0.00 0.00 64.21 62.86 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 -2.57 0.75 0.00 1.43 1.03 -1.26 -4.85 118.70 113.23 2dle s GLU 58 Ca 0.44 -1.11 0.09 0.00 0.03 0.00 0.00 54.97 54.42 2dle s GLU 58 Cb 0.37 -0.34 0.53 0.00 -0.80 0.00 0.00 34.13 33.88 2dle s GLU 58 CO 0.06 0.03 0.97 -0.35 -1.33 0.00 0.00 175.26 174.65 2dle n PRO 59 N 0.58 0.49 -4.07 -4.83 -0.04 -1.26 -4.69 135.00 121.18 2dle n PRO 59 Ca -0.16 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.17 2dle n PRO 59 Cb 0.58 -1.28 -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 0.57 -0.29 0.54 1.70 -1.26 -1.70 118.95 116.50 2dle s ARG 60 Ca 0.13 -0.84 -0.14 0.00 -0.47 0.00 0.00 55.73 54.41 2dle s ARG 60 Cb 0.06 -0.25 0.13 0.00 -0.57 0.00 0.00 34.95 34.32 2dle s ARG 60 CO 0.10 0.03 0.82 0.00 -1.08 0.00 0.00 175.30 175.18 2dle s ALA 61 N -1.75 -2.26 0.35 7.88 0.00 -0.94 -4.93 121.76 120.11 2dle s ALA 61 Ca -0.07 2.25 -0.03 0.00 0.00 0.00 0.00 51.96 54.11 2dle s ALA 61 Cb -0.07 -1.79 -0.04 0.00 0.00 0.00 0.00 23.12 21.22 2dle s ALA 61 CO -0.01 -0.73 0.61 0.08 0.00 0.00 0.00 175.76 175.71 2dle s VAL 62 N 2.24 5.02 -0.34 0.00 1.01 -1.26 -2.54 120.40 124.53 2dle s VAL 62 Ca -0.06 -0.08 0.01 0.00 0.00 0.00 0.00 61.98 61.84 2dle s VAL 62 Cb -0.07 -3.81 0.10 0.00 0.00 0.00 0.00 36.38 32.60 2dle s VAL 62 CO -0.18 -0.52 0.10 -0.63 0.00 0.00 0.00 175.10 173.87 2dle s ILE 63 N -2.31 1.37 1.22 2.22 -1.09 -0.79 -4.96 121.20 116.86 2dle s ILE 63 Ca 0.43 -1.83 -0.20 0.00 -2.23 0.00 0.00 60.65 56.83 2dle s ILE 63 Cb -0.10 -2.02 0.30 0.00 -1.58 0.00 0.00 42.46 39.05 2dle s ILE 63 CO 0.35 -0.68 1.11 -2.16 -1.23 0.00 0.00 174.94 172.34 2dle s PRO 64 N 1.25 -1.38 -1.22 2.79 0.04 -1.26 -3.15 135.00 132.07 2dle s PRO 64 Ca 0.11 -0.12 -0.20 0.00 0.04 0.00 0.00 61.00 60.83 2dle s PRO 64 Cb -0.19 -1.58 0.01 0.00 0.04 0.00 0.00 34.50 32.78 2dle s PRO 64 CO -0.17 -3.80 0.68 0.41 0.04 0.00 0.00 177.00 174.15 2dle n GLY 65 N -0.94 -0.79 3.80 0.56 0.00 -0.68 -4.83 105.19 102.31 2dle n GLY 65 Ca 0.14 0.37 -0.26 0.00 0.00 0.00 0.00 46.02 46.26 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 -6.82 3.81 -0.00 0.99 1.43 -0.80 -4.96 118.68 112.32 2dle s LEU 66 Ca 0.38 -0.13 -0.04 0.00 -1.03 0.00 0.00 54.13 53.32 2dle s LEU 66 Cb -0.16 -2.42 -0.04 0.00 0.03 0.00 0.00 46.19 43.60 2dle s LEU 66 CO 0.90 0.07 0.21 -0.13 0.23 0.00 0.00 176.35 177.63 2dle s ARG 67 N -3.09 3.48 0.22 1.70 0.52 -1.25 -4.03 118.95 116.50 2dle s ARG 67 Ca 0.31 -0.24 -0.17 0.00 -0.52 0.00 0.00 55.73 55.11 2dle s ARG 67 Cb -0.10 -3.09 -0.08 0.00 0.52 0.00 0.00 34.95 32.20 2dle s ARG 67 CO 0.23 0.67 0.67 -1.54 0.02 0.00 0.00 175.30 175.35 2dle s SER 68 N -1.86 6.91 -1.19 0.23 1.04 -1.24 -4.21 113.70 113.38 2dle s SER 68 Ca 0.27 1.27 -0.02 0.00 0.48 0.00 0.00 55.95 57.95 2dle s SER 68 Cb -0.13 -2.36 -0.01 0.00 0.10 0.00 0.00 66.02 63.62 2dle s SER 68 CO 0.18 -0.01 0.93 -1.20 0.98 0.00 0.00 173.24 174.11 2dle n SER 69 N 0.45 -2.84 -3.79 7.02 7.64 -1.16 -4.94 113.62 116.00 2dle n SER 69 Ca -0.02 -0.68 -0.13 0.00 1.01 0.00 0.00 58.87 59.05 2dle n SER 69 Cb 0.52 -4.91 -0.13 0.00 -1.01 0.00 0.00 64.21 58.69 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 -3.42 -0.01 0.42 0.44 2.01 -1.26 -5.02 115.64 108.80 2dle s THR 70 Ca 0.10 0.05 -0.23 0.00 0.31 0.00 0.00 61.69 61.91 2dle s THR 70 Cb -0.02 -0.29 -0.08 0.00 0.01 0.00 0.00 72.50 72.12 2dle s THR 70 CO 0.75 0.02 1.08 0.12 -0.69 0.00 0.00 174.62 175.90 2dle s PHE 71 N 0.43 3.12 0.01 4.92 5.36 -1.26 -3.80 117.98 126.76 2dle s PHE 71 Ca -0.03 1.60 -0.06 0.00 -0.96 0.00 0.00 56.93 57.49 2dle s PHE 71 Cb -0.04 -3.20 -0.00 0.00 -0.34 0.00 0.00 43.02 39.44 2dle s PHE 71 CO -0.02 -0.92 0.11 0.71 -1.46 0.00 0.00 175.22 173.64 2dle s TYR 72 N -1.65 0.09 -0.29 10.12 2.02 -1.19 -4.18 117.35 122.26 2dle s TYR 72 Ca 0.60 -0.22 0.01 0.00 -0.37 0.00 0.00 57.07 57.09 2dle s TYR 72 Cb -0.24 -0.08 0.09 0.00 -0.40 0.00 0.00 41.96 41.34 2dle s TYR 72 CO 0.29 -0.27 0.05 -0.80 -1.57 0.00 0.00 175.55 173.25 2dle s ASN 73 N -1.42 4.10 0.17 2.29 0.01 -1.07 -3.31 114.94 115.71 2dle s ASN 73 Ca -0.15 -1.62 -0.07 0.00 -0.71 0.00 0.00 52.86 50.31 2dle s ASN 73 Cb -0.08 -1.10 -0.06 0.00 0.41 0.00 0.00 41.25 40.42 2dle s ASN 73 CO 0.01 -0.36 0.44 -0.63 -1.51 0.00 0.00 177.10 175.04 2dle s ILE 74 N 1.41 5.08 -0.16 0.60 1.01 -1.24 -2.75 121.20 125.16 2dle s ILE 74 Ca 0.06 0.21 -0.04 0.00 0.00 0.00 0.00 60.65 60.88 2dle s ILE 74 Cb -0.18 -3.62 0.07 0.00 0.01 0.00 0.00 42.46 38.74 2dle s ILE 74 CO -0.16 0.01 0.19 -0.89 0.00 0.00 0.00 174.94 174.10 2dle s THR 75 N -1.70 -0.29 -0.44 2.92 2.01 -1.19 -2.92 115.64 114.04 2dle s THR 75 Ca 0.43 0.03 -0.13 0.00 0.31 0.00 0.00 61.69 62.33 2dle s THR 75 Cb -0.12 -0.55 0.06 0.00 0.01 0.00 0.00 72.50 71.91 2dle s THR 75 CO 0.23 -0.10 0.32 -0.69 -0.69 0.00 0.00 174.62 173.69 2dle s VAL 76 N 2.30 4.85 -0.26 3.82 1.01 -0.39 -2.24 120.40 129.48 2dle s VAL 76 Ca 0.05 -1.10 -0.05 0.00 0.00 0.00 0.00 61.98 60.89 2dle s VAL 76 Cb -0.15 -3.87 0.01 0.00 0.00 0.00 0.00 36.38 32.37 2dle s VAL 76 CO -0.10 -0.48 0.01 0.00 0.00 0.00 0.00 175.10 174.53 2dle s PRO 78 N 1.45 3.31 -0.19 0.00 0.04 -1.26 -2.26 135.00 136.09 2dle s PRO 78 Ca 0.03 1.59 -0.07 0.00 0.04 0.00 0.00 61.00 62.59 2dle s PRO 78 Cb -0.16 -2.00 0.08 0.00 0.04 0.00 0.00 34.50 32.46 2dle s PRO 78 CO -0.01 -0.88 0.41 0.08 0.04 0.00 0.00 177.00 176.65 2dle s VAL 79 N -1.82 -0.51 -0.74 -0.36 1.01 -1.05 -2.78 120.40 114.15 2dle s VAL 79 Ca 0.72 0.16 -0.01 0.00 0.00 0.00 0.00 61.98 62.85 2dle s VAL 79 Cb -0.24 -0.65 0.39 0.00 0.00 0.00 0.00 36.38 35.88 2dle s VAL 79 CO 0.28 0.07 1.92 -0.11 0.00 0.00 0.00 175.10 177.25 2dle n LEU 80 N 5.15 7.24 0.00 3.92 7.94 -1.25 -2.04 117.00 137.97 2dle n LEU 80 Ca -0.11 -4.72 0.00 0.00 -1.11 0.00 0.00 56.01 50.07 2dle n LEU 80 Cb 0.51 -0.96 0.00 0.00 0.53 0.00 0.00 43.42 43.49 2dle n LEU 80 CO 0.02 1.74 0.00 0.61 -1.11 0.00 0.00 177.39 178.64 2dle n GLY 81 N -0.65 2.00 1.15 -3.96 0.00 -1.26 -4.38 105.19 98.09 2dle n GLY 81 Ca 0.55 -0.54 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 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 4.09 2.93 -4.21 1.61 8.00 -1.26 -5.03 116.55 122.68 2dle n ASP 82 Ca 0.00 -3.83 -0.18 0.00 0.71 0.00 0.00 54.79 51.49 2dle n ASP 82 Cb 0.00 -0.46 -0.11 0.00 -0.02 0.00 0.00 41.12 40.53 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 -3.74 1.21 -0.24 0.53 1.01 -1.26 -5.13 121.20 113.57 2dle s ILE 83 Ca 0.43 -1.54 -0.02 0.00 0.00 0.00 0.00 60.65 59.51 2dle s ILE 83 Cb 0.39 -1.33 0.08 0.00 0.01 0.00 0.00 42.46 41.60 2dle s ILE 83 CO -0.03 -0.35 0.06 -1.61 0.00 0.00 0.00 174.94 173.02 2dle s GLU 84 N -2.30 0.63 0.00 2.79 2.02 -1.26 -3.75 118.70 116.83 2dle s GLU 84 Ca 0.04 -0.64 0.00 0.00 0.02 0.00 0.00 54.97 54.39 2dle s GLU 84 Cb -0.07 -1.97 0.00 0.00 0.10 0.00 0.00 34.13 32.19 2dle s GLU 84 CO 0.02 -0.79 0.00 0.41 0.02 0.00 0.00 175.26 174.92 2dle n GLY 85 N 5.01 0.73 3.64 -1.39 0.00 -1.12 -5.03 105.19 107.04 2dle n GLY 85 Ca -0.07 -1.54 -0.37 0.00 0.00 0.00 0.00 46.02 44.04 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 0.17 5.30 0.04 2.61 2.01 -1.01 -4.85 115.64 119.93 2dle s THR 86 Ca 0.00 0.29 -0.31 0.00 0.31 0.00 0.00 61.69 61.99 2dle s THR 86 Cb 0.00 -3.56 -0.06 0.00 0.01 0.00 0.00 72.50 68.88 2dle s THR 86 CO 0.00 0.29 1.41 -2.16 -0.69 0.00 0.00 174.62 173.47 2dle s PRO 87 N 1.38 4.29 -0.28 4.92 0.04 -1.26 -3.52 135.00 140.58 2dle s PRO 87 Ca 0.10 2.03 -0.21 0.00 0.04 0.00 0.00 61.00 62.95 2dle s PRO 87 Cb -0.15 -3.47 -0.01 0.00 0.04 0.00 0.00 34.50 30.91 2dle s PRO 87 CO 0.07 -0.54 0.67 0.20 0.04 0.00 0.00 177.00 177.45 2dle s GLY 88 N 1.67 1.78 0.01 0.56 0.00 0.62 -4.83 107.32 107.13 2dle s GLY 88 Ca 0.65 -0.47 -0.07 0.00 0.00 0.00 0.00 44.72 44.83 2dle s GLY 88 CO 0.28 1.53 0.27 -1.36 0.00 0.00 0.00 173.10 173.83 2dle s PHE 89 N 2.64 3.58 -0.29 1.90 0.40 -1.26 -1.26 117.98 123.69 2dle s PHE 89 Ca 0.28 0.59 -0.03 0.00 -0.60 0.00 0.00 56.93 57.16 2dle s PHE 89 Cb -0.15 -2.00 0.17 0.00 0.51 0.00 0.00 43.02 41.55 2dle s PHE 89 CO 0.10 0.61 0.57 -1.17 0.70 0.00 0.00 175.22 176.03 2dle s LEU 90 N -1.75 -1.22 0.32 -0.37 2.96 -1.15 -4.96 118.68 112.51 2dle s LEU 90 Ca 0.28 0.92 -0.27 0.00 -0.22 0.00 0.00 54.13 54.83 2dle s LEU 90 Cb -0.13 2.02 -0.09 0.00 0.50 0.00 0.00 46.19 48.48 2dle s LEU 90 CO 0.16 -0.26 1.04 -1.10 -1.32 0.00 0.00 176.35 174.87 2dle s GLN 91 N 2.81 4.51 0.02 1.98 1.11 -1.26 -3.64 119.66 125.19 2dle s GLN 91 Ca 0.14 1.61 0.01 0.00 0.01 0.00 0.00 55.36 57.13 2dle s GLN 91 Cb -0.14 -2.95 -0.01 0.00 -1.01 0.00 0.00 33.01 28.89 2dle s GLN 91 CO -0.20 0.15 -0.04 0.14 0.01 0.00 0.00 175.29 175.36 2dle s VAL 92 N -1.37 0.25 -0.33 1.09 -7.23 -1.21 -5.04 120.40 106.56 2dle s VAL 92 Ca 0.49 -0.60 0.03 0.00 -1.81 0.00 0.00 61.98 60.09 2dle s VAL 92 Cb -0.26 -0.31 0.10 0.00 0.56 0.00 0.00 36.38 36.47 2dle s VAL 92 CO 0.33 -0.23 0.05 -2.28 -0.31 0.00 0.00 175.10 172.67 2dle s HIS 93 N -0.82 3.25 0.31 2.82 2.46 -1.26 -3.14 115.29 118.90 2dle s HIS 93 Ca -0.07 -2.66 -0.28 0.00 0.47 0.00 0.00 55.06 52.52 2dle s HIS 93 Cb -0.06 -2.57 -0.13 0.00 -0.13 0.00 0.00 32.58 29.69 2dle s HIS 93 CO -0.00 -0.92 1.16 0.25 -2.47 0.00 0.00 174.74 172.75 2dle n THR 94 N 4.40 1.92 -2.26 0.89 -2.24 -1.25 -4.93 114.28 110.81 2dle n THR 94 Ca 0.01 -0.48 -0.37 0.00 -2.27 0.00 0.00 64.05 60.95 2dle n THR 94 Cb 0.42 -1.28 -0.01 0.00 -2.10 0.00 0.00 70.33 67.37 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 -1.61 3.68 0.13 -0.78 0.04 -1.26 -3.01 135.00 132.20 2dle s PRO 95 Ca 0.58 1.74 -0.31 0.00 0.04 0.00 0.00 61.00 63.05 2dle s PRO 95 Cb -0.64 -2.33 -0.08 0.00 0.04 0.00 0.00 34.50 31.49 2dle s PRO 95 CO 0.60 -0.61 1.35 -1.25 0.04 0.00 0.00 177.00 177.13 2dle s PRO 96 N -2.81 4.35 -0.14 0.56 0.04 -1.26 -3.84 135.00 131.91 2dle s PRO 96 Ca 0.65 2.03 -0.37 0.00 0.04 0.00 0.00 61.00 63.36 2dle s PRO 96 Cb -0.28 -3.25 -0.14 0.00 0.04 0.00 0.00 34.50 30.88 2dle s PRO 96 CO 0.33 -0.37 1.77 0.28 0.04 0.00 0.00 177.00 179.05 2dle n VAL 97 N 3.61 0.39 0.97 -0.36 0.31 -1.26 -4.80 118.33 117.19 2dle n VAL 97 Ca 0.10 -0.07 0.05 0.00 -0.01 0.00 0.00 64.34 64.40 2dle n VAL 97 Cb 0.43 -1.52 0.27 0.00 -0.91 0.00 0.00 33.84 32.12 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 5.62 0.48 -1.55 5.55 -0.04 -1.26 -4.86 135.00 138.95 2dle n PRO 98 Ca 0.24 0.00 -0.51 0.00 -0.04 0.00 0.00 63.50 63.18 2dle n PRO 98 Cb 0.22 -1.30 -0.05 0.00 -0.04 0.00 0.00 33.50 32.33 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 -0.80 0.87 -3.02 3.54 3.41 -1.26 -4.96 113.62 111.40 2dle n SER 99 Ca 0.07 1.14 -0.16 0.00 -0.26 0.00 0.00 58.87 59.66 2dle n SER 99 Cb 0.03 -1.12 -0.05 0.00 -0.26 0.00 0.00 64.21 62.81 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 2.00 2.52 0.00 5.00 0.00 -1.26 -5.02 105.19 108.43 2dle n GLY 100 Ca 0.17 -1.74 0.07 0.00 0.00 0.00 0.00 46.02 44.53 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 -0.58 0.15 -1.90 1.61 -0.04 -1.26 -4.61 135.00 128.37 2dle n PRO 101 Ca 0.04 0.18 -0.23 0.00 -0.04 0.00 0.00 63.50 63.45 2dle n PRO 101 Cb 0.57 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.47 2dle n PRO 101 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2dle s SER 102 N -2.70 4.74 -0.20 3.54 1.04 -1.26 -4.92 113.70 113.94 2dle s SER 102 Ca 0.12 -0.50 -0.06 0.00 0.48 0.00 0.00 55.95 55.99 2dle s SER 102 Cb 0.10 -2.56 -0.03 0.00 0.10 0.00 0.00 66.02 63.63 2dle s SER 102 CO 0.23 -3.13 0.02 -0.55 0.98 0.00 0.00 173.24 170.79 2dle s SER 103 N 8.82 5.03 0.00 7.02 0.15 -1.26 -5.18 113.70 128.29 2dle s SER 103 Ca 0.77 -0.14 0.00 0.00 0.70 0.00 0.00 55.95 57.28 2dle s SER 103 Cb -0.08 -1.86 0.00 0.00 -1.71 0.00 0.00 66.02 62.36 2dle s SER 103 CO 0.03 0.08 0.00 0.61 1.20 0.00 0.00 173.24 175.16