#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dlg s SER 2 N 0.00 -0.42 0.11 1.61 1.04 -1.26 -5.06 113.70 109.72 2dlg s SER 2 Ca 0.00 1.05 -0.21 0.00 0.48 0.00 0.00 55.95 57.26 2dlg s SER 2 Cb 0.00 1.54 -0.05 0.00 0.10 0.00 0.00 66.02 67.61 2dlg s SER 2 CO 0.00 -0.24 1.10 -1.20 0.98 0.00 0.00 173.24 173.88 2dlg n SER 3 N 5.40 -0.73 0.00 7.02 7.64 -1.26 -4.87 113.62 126.83 2dlg n SER 3 Ca -0.09 1.26 0.00 0.00 1.01 0.00 0.00 58.87 61.06 2dlg n SER 3 Cb 0.49 -0.18 0.00 0.00 -1.01 0.00 0.00 64.21 63.51 2dlg n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dlg n GLY 4 N -1.17 0.73 3.78 0.23 0.00 -1.26 -4.91 105.19 102.59 2dlg n GLY 4 Ca 0.01 -1.24 -0.30 0.00 0.00 0.00 0.00 46.02 44.49 2dlg n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dlg s SER 5 N -4.00 5.58 0.22 1.61 0.15 -1.26 -5.01 113.70 110.98 2dlg s SER 5 Ca 0.00 0.01 -0.16 0.00 0.70 0.00 0.00 55.95 56.50 2dlg s SER 5 Cb 0.00 -1.51 0.23 0.00 -1.71 0.00 0.00 66.02 63.03 2dlg s SER 5 CO 0.00 0.17 1.45 -1.54 1.20 0.00 0.00 173.24 174.52 2dlg n SER 6 N 0.43 -0.59 0.00 5.45 3.41 -1.26 -4.49 113.62 116.57 2dlg n SER 6 Ca -0.08 1.63 0.00 0.00 -0.26 0.00 0.00 58.87 60.15 2dlg n SER 6 Cb 0.52 -0.38 0.00 0.00 -0.26 0.00 0.00 64.21 64.09 2dlg n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dlg n GLY 7 N -1.45 0.00 3.17 5.00 0.00 -1.26 -5.17 105.19 105.49 2dlg n GLY 7 Ca 0.10 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.98 2dlg n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dlg s ARG 8 N 0.00 0.84 0.00 1.61 0.52 -1.26 -5.16 118.95 115.50 2dlg s ARG 8 Ca 0.00 -1.17 0.03 0.00 -0.52 0.00 0.00 55.73 54.08 2dlg s ARG 8 Cb 0.00 -0.49 -0.03 0.00 0.52 0.00 0.00 34.95 34.95 2dlg s ARG 8 CO 0.00 0.07 -0.07 0.00 0.02 0.00 0.00 175.30 175.32 2dlg s ALA 9 N -2.55 3.01 -0.66 2.13 0.00 -1.26 -4.84 121.76 117.59 2dlg s ALA 9 Ca 0.06 -1.02 -0.26 0.00 0.00 0.00 0.00 51.96 50.73 2dlg s ALA 9 Cb -0.02 -1.12 -0.03 0.00 0.00 0.00 0.00 23.12 21.95 2dlg s ALA 9 CO -0.00 0.61 1.88 -1.25 0.00 0.00 0.00 175.76 176.99 2dlg s PRO 10 N -1.41 2.61 -0.44 0.00 0.04 -1.26 -4.95 135.00 129.59 2dlg s PRO 10 Ca 0.17 0.48 -0.14 0.00 0.04 0.00 0.00 61.00 61.55 2dlg s PRO 10 Cb -0.11 -4.49 0.06 0.00 0.04 0.00 0.00 34.50 30.00 2dlg s PRO 10 CO 0.07 -2.83 0.34 -1.12 0.04 0.00 0.00 177.00 173.50 2dlg s SER 11 N 8.11 6.02 -0.04 6.66 0.01 -1.26 -4.94 113.70 128.26 2dlg s SER 11 Ca 0.68 -1.26 -0.23 0.00 1.31 0.00 0.00 55.95 56.45 2dlg s SER 11 Cb -0.12 -2.13 -0.25 0.00 0.21 0.00 0.00 66.02 63.73 2dlg s SER 11 CO 0.17 -0.57 1.02 -0.37 0.41 0.00 0.00 173.24 173.90 2dlg h VAL 12 N 5.80 1.52 -2.75 3.43 -1.51 -1.93 -3.46 116.25 117.35 2dlg h VAL 12 Ca -0.27 -2.10 -0.62 0.00 -1.23 0.00 0.00 66.70 62.47 2dlg h VAL 12 Cb 1.11 2.81 -0.15 0.00 -2.13 0.00 0.00 31.29 32.93 2dlg h VAL 12 CO 0.81 0.59 -0.76 0.00 -1.23 0.00 0.00 177.57 176.99 2dlg s ALA 13 N -3.00 2.79 0.17 5.19 0.00 -1.26 -5.05 121.76 120.59 2dlg s ALA 13 Ca -0.15 -1.66 0.10 0.00 0.00 0.00 0.00 51.96 50.25 2dlg s ALA 13 Cb 0.02 -0.48 -0.04 0.00 0.00 0.00 0.00 23.12 22.62 2dlg s ALA 13 CO 0.78 0.38 -0.17 0.99 0.00 0.00 0.00 175.76 177.74 2dlg s THR 14 N -1.99 2.80 0.09 0.00 2.01 -1.26 -3.32 115.64 113.96 2dlg s THR 14 Ca 0.26 -1.77 -0.28 0.00 0.31 0.00 0.00 61.69 60.21 2dlg s THR 14 Cb -0.07 -2.35 -0.06 0.00 0.01 0.00 0.00 72.50 70.03 2dlg s THR 14 CO 0.14 -0.07 0.89 0.54 -0.69 0.00 0.00 174.62 175.43 2dlg s VAL 15 N -1.58 4.59 0.00 3.82 0.11 -1.25 -3.83 120.40 122.26 2dlg s VAL 15 Ca 0.22 1.91 0.00 0.00 -2.93 0.00 0.00 61.98 61.17 2dlg s VAL 15 Cb -0.09 -4.24 0.00 0.00 -1.53 0.00 0.00 36.38 30.52 2dlg s VAL 15 CO 0.12 0.34 0.00 0.61 -3.33 0.00 0.00 175.10 172.84 2dlg n GLY 16 N 2.30 1.45 3.78 6.54 0.00 -1.26 -4.53 105.19 113.47 2dlg n GLY 16 Ca 0.00 -0.13 -0.37 0.00 0.00 0.00 0.00 46.02 45.52 2dlg n GLY 16 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dlg s SER 17 N 0.01 6.52 -0.07 1.61 0.01 -1.25 -4.90 113.70 115.63 2dlg s SER 17 Ca 0.00 2.17 -0.29 0.00 1.31 0.00 0.00 55.95 59.14 2dlg s SER 17 Cb 0.00 -2.60 -0.07 0.00 0.21 0.00 0.00 66.02 63.57 2dlg s SER 17 CO 0.00 -0.67 1.95 -0.63 0.41 0.00 0.00 173.24 174.31 2dlg s ILE 18 N -1.59 3.16 -0.08 1.44 -1.09 -1.26 -4.51 121.20 117.27 2dlg s ILE 18 Ca 0.60 0.19 -0.20 0.00 -2.23 0.00 0.00 60.65 59.01 2dlg s ILE 18 Cb -0.25 -3.15 -0.04 0.00 -1.58 0.00 0.00 42.46 37.43 2dlg s ILE 18 CO 0.32 -0.05 0.55 0.00 -1.23 0.00 0.00 174.94 174.52 2dlg s ASP 20 N 0.44 3.49 -0.20 0.00 1.01 -1.26 -1.99 116.67 118.16 2dlg s ASP 20 Ca 0.29 -0.42 -0.09 0.00 0.71 0.00 0.00 52.55 53.05 2dlg s ASP 20 Cb -0.16 -1.13 -0.05 0.00 1.01 0.00 0.00 42.92 42.59 2dlg s ASP 20 CO 0.13 0.23 0.11 -0.22 0.21 0.00 0.00 175.17 175.63 2dlg s LEU 21 N -0.05 4.07 -0.59 1.23 2.96 -1.15 -4.93 118.68 120.21 2dlg s LEU 21 Ca -0.05 0.17 -0.20 0.00 -0.22 0.00 0.00 54.13 53.82 2dlg s LEU 21 Cb -0.14 -2.05 0.08 0.00 0.50 0.00 0.00 46.19 44.58 2dlg s LEU 21 CO 0.04 0.17 0.78 0.20 -1.32 0.00 0.00 176.35 176.22 2dlg s ASN 22 N 0.41 6.20 0.14 3.68 0.01 -1.26 -3.61 114.94 120.50 2dlg s ASN 22 Ca 0.06 -1.12 0.05 0.00 -0.71 0.00 0.00 52.86 51.14 2dlg s ASN 22 Cb -0.12 -2.34 -0.04 0.00 0.41 0.00 0.00 41.25 39.16 2dlg s ASN 22 CO -0.01 -1.17 -0.11 -0.76 -1.51 0.00 0.00 177.10 173.54 2dlg s LEU 23 N 3.16 2.49 -0.29 0.60 1.43 -1.21 -5.07 118.68 119.79 2dlg s LEU 23 Ca 0.17 -0.95 -0.01 0.00 -1.03 0.00 0.00 54.13 52.31 2dlg s LEU 23 Cb -0.20 -0.38 0.18 0.00 0.03 0.00 0.00 46.19 45.82 2dlg s LEU 23 CO 0.09 -0.28 0.55 -1.59 0.23 0.00 0.00 176.35 175.35 2dlg s LYS 24 N -3.40 0.52 -0.38 1.70 -2.85 -1.26 -2.08 119.74 111.98 2dlg s LYS 24 Ca 0.14 0.87 0.01 0.00 -1.00 0.00 0.00 55.97 55.98 2dlg s LYS 24 Cb 0.00 0.32 0.12 0.00 -2.06 0.00 0.00 37.83 36.22 2dlg s LYS 24 CO 0.01 -0.66 0.18 0.42 0.10 0.00 0.00 175.35 175.40 2dlg s ILE 25 N 2.79 1.14 -0.62 3.79 1.01 -1.07 -4.96 121.20 123.28 2dlg s ILE 25 Ca 0.18 -2.06 0.21 0.00 0.00 0.00 0.00 60.65 58.98 2dlg s ILE 25 Cb -0.15 -1.82 0.21 0.00 0.01 0.00 0.00 42.46 40.71 2dlg s ILE 25 CO -0.21 -0.81 1.64 -0.81 0.00 0.00 0.00 174.94 174.75 2dlg n PRO 26 N 4.08 0.14 0.00 2.79 -0.04 -1.26 -2.01 135.00 138.71 2dlg n PRO 26 Ca 0.05 0.38 0.12 0.00 -0.04 0.00 0.00 63.50 64.01 2dlg n PRO 26 Cb 0.38 -1.77 0.23 0.00 -0.04 0.00 0.00 33.50 32.29 2dlg n PRO 26 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2dlg n GLU 27 N -2.04 0.01 -4.41 0.54 2.13 -1.26 -4.90 120.64 110.72 2dlg n GLU 27 Ca 0.02 0.00 -0.26 0.00 0.66 0.00 0.00 57.16 57.59 2dlg n GLU 27 Cb 0.21 -1.51 -0.12 0.00 0.27 0.00 0.00 31.44 30.30 2dlg n GLU 27 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 2dlg s ILE 28 N -3.01 2.28 -0.07 6.31 1.01 -0.85 -5.14 121.20 121.73 2dlg s ILE 28 Ca 0.11 -2.04 -0.00 0.00 0.00 0.00 0.00 60.65 58.71 2dlg s ILE 28 Cb 0.17 -2.09 -0.03 0.00 0.01 0.00 0.00 42.46 40.52 2dlg s ILE 28 CO 0.71 -0.17 -0.04 0.20 0.00 0.00 0.00 174.94 175.65 2dlg s ASN 29 N -2.73 4.92 0.27 3.58 0.02 -1.26 -4.85 114.94 114.89 2dlg s ASN 29 Ca 0.21 0.05 0.20 0.00 -1.02 0.00 0.00 52.86 52.30 2dlg s ASN 29 Cb -0.07 -1.30 1.01 0.00 0.02 0.00 0.00 41.25 40.90 2dlg s ASN 29 CO 0.10 0.36 1.63 -1.20 0.02 0.00 0.00 177.10 178.01 2dlg n SER 30 N 2.13 0.54 0.01 -1.22 7.64 -1.26 -0.89 113.62 120.58 2dlg n SER 30 Ca -0.18 0.70 0.13 0.00 1.01 0.00 0.00 58.87 60.54 2dlg n SER 30 Cb 0.53 -0.79 0.48 0.00 -1.01 0.00 0.00 64.21 63.42 2dlg n SER 30 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2dlg n SER 31 N -2.18 0.24 -0.08 6.43 7.64 -1.26 -3.49 113.62 120.94 2dlg n SER 31 Ca -0.00 0.28 0.03 0.00 1.01 0.00 0.00 58.87 60.20 2dlg n SER 31 Cb 0.10 -0.29 0.05 0.00 -1.01 0.00 0.00 64.21 63.06 2dlg n SER 31 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2dlg n ASP 32 N -1.60 1.63 -4.95 6.43 8.00 -0.06 -5.06 116.55 120.93 2dlg n ASP 32 Ca 0.06 -2.22 -0.23 0.00 0.71 0.00 0.00 54.79 53.11 2dlg n ASP 32 Cb 0.35 -0.16 -0.02 0.00 -0.02 0.00 0.00 41.12 41.27 2dlg n ASP 32 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 2dlg s MET 33 N -1.37 3.46 -0.19 -1.24 -1.94 -0.99 -4.22 119.30 112.82 2dlg s MET 33 Ca 0.10 -0.57 -0.09 0.00 -1.71 0.00 0.00 55.69 53.43 2dlg s MET 33 Cb 0.09 -2.83 0.08 0.00 2.01 0.00 0.00 34.83 34.18 2dlg s MET 33 CO 0.01 0.36 0.44 -1.12 -0.01 0.00 0.00 175.02 174.70 2dlg s SER 34 N -3.79 -0.44 0.13 3.03 0.01 -1.22 -5.02 113.70 106.40 2dlg s SER 34 Ca 0.36 0.99 0.09 0.00 1.31 0.00 0.00 55.95 58.70 2dlg s SER 34 Cb -0.10 1.11 -0.04 0.00 0.21 0.00 0.00 66.02 67.20 2dlg s SER 34 CO 0.31 -0.21 -0.21 0.00 0.41 0.00 0.00 173.24 173.53 2dlg s ALA 35 N 2.00 1.99 -0.16 1.44 0.00 -1.26 -2.99 121.76 122.77 2dlg s ALA 35 Ca -0.06 -1.38 -0.15 0.00 0.00 0.00 0.00 51.96 50.37 2dlg s ALA 35 Cb -0.10 -0.24 0.04 0.00 0.00 0.00 0.00 23.12 22.82 2dlg s ALA 35 CO -0.13 0.34 0.44 -1.01 0.00 0.00 0.00 175.76 175.39 2dlg s HIS 36 N -1.50 -0.49 -0.50 0.00 3.76 -1.22 -1.67 115.29 113.67 2dlg s HIS 36 Ca 0.12 1.18 -0.16 0.00 -0.15 0.00 0.00 55.06 56.05 2dlg s HIS 36 Cb -0.08 0.17 0.10 0.00 1.11 0.00 0.00 32.58 33.87 2dlg s HIS 36 CO 0.06 -0.24 0.43 0.08 -0.85 0.00 0.00 174.74 174.22 2dlg s VAL 37 N 0.30 5.21 -0.05 -0.90 1.01 -0.44 -2.42 120.40 123.11 2dlg s VAL 37 Ca -0.01 -1.24 -0.25 0.00 0.00 0.00 0.00 61.98 60.48 2dlg s VAL 37 Cb -0.03 -4.20 -0.04 0.00 0.00 0.00 0.00 36.38 32.11 2dlg s VAL 37 CO -0.00 -0.69 0.78 -0.89 0.00 0.00 0.00 175.10 174.29 2dlg s THR 38 N 1.62 4.99 0.28 3.92 2.01 -0.04 -1.59 115.64 126.83 2dlg s THR 38 Ca 0.04 1.61 -0.05 0.00 0.31 0.00 0.00 61.69 63.60 2dlg s THR 38 Cb -0.26 -4.12 -0.05 0.00 0.01 0.00 0.00 72.50 68.08 2dlg s THR 38 CO 0.05 0.23 0.54 -0.44 -0.69 0.00 0.00 174.62 174.31 2dlg s SER 39 N 0.83 6.45 0.00 3.53 0.01 0.19 -1.03 113.70 123.68 2dlg s SER 39 Ca 0.41 0.70 0.15 0.00 1.31 0.00 0.00 55.95 58.52 2dlg s SER 39 Cb -0.19 -2.14 0.75 0.00 0.21 0.00 0.00 66.02 64.65 2dlg s SER 39 CO 0.21 -0.18 1.41 -0.81 0.41 0.00 0.00 173.24 174.27 2dlg n PRO 40 N -0.89 0.21 0.03 12.44 -0.04 -1.21 -1.98 135.00 143.57 2dlg n PRO 40 Ca -0.02 0.14 0.11 0.00 -0.04 0.00 0.00 63.50 63.70 2dlg n PRO 40 Cb 0.54 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.53 2dlg n PRO 40 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2dlg n SER 41 N -1.28 0.62 0.00 3.54 3.41 -1.26 -4.95 113.62 113.70 2dlg n SER 41 Ca 0.07 -0.20 0.00 0.00 -0.26 0.00 0.00 58.87 58.48 2dlg n SER 41 Cb 0.12 0.76 0.00 0.00 -0.26 0.00 0.00 64.21 64.83 2dlg n SER 41 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dlg n GLY 42 N 1.37 1.41 3.12 5.00 0.00 -0.84 -5.11 105.19 110.15 2dlg n GLY 42 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 2dlg n GLY 42 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2dlg s ARG 43 N -0.06 2.88 -0.05 1.61 3.52 -1.25 -4.93 118.95 120.67 2dlg s ARG 43 Ca 0.00 -0.79 0.06 0.00 -0.13 0.00 0.00 55.73 54.86 2dlg s ARG 43 Cb 0.00 -2.44 -0.02 0.00 -1.56 0.00 0.00 34.95 30.93 2dlg s ARG 43 CO 0.00 -0.14 -0.23 0.54 -0.81 0.00 0.00 175.30 174.66 2dlg s VAL 44 N 1.15 2.26 0.52 7.11 0.11 -1.26 0.54 120.40 130.82 2dlg s VAL 44 Ca 0.01 -1.00 0.04 0.00 -2.93 0.00 0.00 61.98 58.09 2dlg s VAL 44 Cb -0.14 -1.83 0.01 0.00 -1.53 0.00 0.00 36.38 32.89 2dlg s VAL 44 CO -0.09 0.57 0.19 0.42 -3.33 0.00 0.00 175.10 172.86 2dlg s THR 45 N -0.32 1.47 -0.18 5.04 -4.23 -0.62 -4.92 115.64 111.88 2dlg s THR 45 Ca 0.01 -1.76 -0.13 0.00 -1.18 0.00 0.00 61.69 58.64 2dlg s THR 45 Cb -0.13 -2.23 -0.05 0.00 1.34 0.00 0.00 72.50 71.44 2dlg s THR 45 CO 0.02 0.00 0.24 -0.70 -0.54 0.00 0.00 174.62 173.64 2dlg s GLU 46 N -4.05 4.22 0.20 3.99 2.12 -1.26 -1.33 118.70 122.59 2dlg s GLU 46 Ca 0.21 -0.02 -0.07 0.00 0.36 0.00 0.00 54.97 55.45 2dlg s GLU 46 Cb 0.00 -3.44 -0.06 0.00 0.26 0.00 0.00 34.13 30.89 2dlg s GLU 46 CO 0.12 0.22 0.47 0.00 -0.54 0.00 0.00 175.26 175.54 2dlg s ALA 47 N 0.56 3.67 0.14 6.30 0.00 -0.67 -4.86 121.76 126.90 2dlg s ALA 47 Ca 0.13 -0.44 -0.10 0.00 0.00 0.00 0.00 51.96 51.55 2dlg s ALA 47 Cb -0.13 -2.28 -0.06 0.00 0.00 0.00 0.00 23.12 20.65 2dlg s ALA 47 CO 0.02 0.54 0.47 -2.00 0.00 0.00 0.00 175.76 174.79 2dlg s GLU 48 N -2.86 3.79 -0.35 0.00 2.12 -1.24 -4.55 118.70 115.61 2dlg s GLU 48 Ca 0.44 0.22 -0.02 0.00 0.36 0.00 0.00 54.97 55.97 2dlg s GLU 48 Cb -0.11 -2.86 0.08 0.00 0.26 0.00 0.00 34.13 31.49 2dlg s GLU 48 CO 0.24 0.46 0.09 0.42 -0.54 0.00 0.00 175.26 175.93 2dlg s ILE 49 N -1.57 3.04 -0.12 -3.70 1.01 -1.26 -2.76 121.20 115.84 2dlg s ILE 49 Ca 0.39 -1.76 -0.14 0.00 0.00 0.00 0.00 60.65 59.14 2dlg s ILE 49 Cb -0.13 -2.94 -0.05 0.00 0.01 0.00 0.00 42.46 39.35 2dlg s ILE 49 CO 0.20 -0.40 0.33 -0.69 0.00 0.00 0.00 174.94 174.38 2dlg s VAL 50 N 1.17 5.25 -0.05 2.92 1.01 -0.02 -4.89 120.40 125.80 2dlg s VAL 50 Ca 0.02 0.63 -0.30 0.00 0.00 0.00 0.00 61.98 62.33 2dlg s VAL 50 Cb -0.21 -3.65 -0.05 0.00 0.00 0.00 0.00 36.38 32.47 2dlg s VAL 50 CO -0.03 0.44 1.49 -2.16 0.00 0.00 0.00 175.10 174.84 2dlg s PRO 51 N 0.06 4.22 0.00 2.72 0.04 -1.26 -1.19 135.00 139.59 2dlg s PRO 51 Ca 0.19 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.24 2dlg s PRO 51 Cb -0.14 -3.79 0.00 0.00 0.04 0.00 0.00 34.50 30.61 2dlg s PRO 51 CO 0.07 -0.73 0.00 -1.33 0.04 0.00 0.00 177.00 175.05 2dlg n MET 52 N 6.39 0.00 0.00 4.56 2.81 -1.13 -4.95 117.12 124.80 2dlg n MET 52 Ca 0.15 0.24 0.00 0.00 -1.81 0.00 0.00 57.70 56.28 2dlg n MET 52 Cb 0.43 -0.69 0.00 0.00 -0.71 0.00 0.00 33.22 32.25 2dlg n MET 52 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2dlg n GLY 53 N 1.96 -0.93 3.53 3.03 0.00 -1.26 -5.03 105.19 106.49 2dlg n GLY 53 Ca 0.00 0.59 -0.42 0.00 0.00 0.00 0.00 46.02 46.19 2dlg n GLY 53 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2dlg s LYS 54 N 0.70 3.39 -1.43 1.61 2.47 -1.26 -4.44 119.74 120.78 2dlg s LYS 54 Ca 0.00 -0.29 -0.01 0.00 -1.56 0.00 0.00 55.97 54.11 2dlg s LYS 54 Cb 0.00 -3.90 0.00 0.00 -1.46 0.00 0.00 37.83 32.47 2dlg s LYS 54 CO 0.00 -0.88 0.02 0.27 0.16 0.00 0.00 175.35 174.92 2dlg n ASN 55 N 6.07 0.75 -4.06 1.43 0.23 -1.26 -4.92 115.26 113.50 2dlg n ASN 55 Ca -0.03 -1.19 -0.17 0.00 -0.53 0.00 0.00 54.58 52.66 2dlg n ASN 55 Cb 0.48 -1.48 -0.14 0.00 -2.08 0.00 0.00 39.78 36.57 2dlg n ASN 55 CO 0.00 0.00 0.00 -0.44 -0.93 0.00 0.00 177.26 175.89 2dlg s SER 56 N -4.27 1.13 0.04 0.53 0.01 -1.26 -2.61 113.70 107.26 2dlg s SER 56 Ca 0.01 -0.33 0.03 0.00 1.31 0.00 0.00 55.95 56.98 2dlg s SER 56 Cb -0.01 -0.07 -0.02 0.00 0.21 0.00 0.00 66.02 66.13 2dlg s SER 56 CO 0.93 0.01 -0.09 -1.00 0.41 0.00 0.00 173.24 173.50 2dlg s HIS 57 N -0.64 0.79 -0.16 2.43 3.76 -0.89 -2.86 115.29 117.72 2dlg s HIS 57 Ca -0.00 -0.40 0.01 0.00 -0.15 0.00 0.00 55.06 54.52 2dlg s HIS 57 Cb -0.06 -0.47 0.02 0.00 1.11 0.00 0.00 32.58 33.18 2dlg s HIS 57 CO 0.00 -0.03 -0.15 0.00 -0.85 0.00 0.00 174.74 173.71 2dlg s VAL 59 N 1.42 4.93 -0.13 0.00 1.01 -1.24 -0.84 120.40 125.56 2dlg s VAL 59 Ca 0.04 -1.23 -0.25 0.00 0.00 0.00 0.00 61.98 60.54 2dlg s VAL 59 Cb -0.13 -4.49 -0.02 0.00 0.00 0.00 0.00 36.38 31.73 2dlg s VAL 59 CO -0.11 -1.12 0.81 -0.60 0.00 0.00 0.00 175.10 174.08 2dlg s ARG 60 N 2.34 4.36 0.23 2.72 3.52 -1.11 -2.95 118.95 128.05 2dlg s ARG 60 Ca 0.12 1.01 -0.19 0.00 -0.13 0.00 0.00 55.73 56.55 2dlg s ARG 60 Cb -0.22 -3.53 0.02 0.00 -1.56 0.00 0.00 34.95 29.66 2dlg s ARG 60 CO 0.03 -0.19 0.59 -0.59 -0.81 0.00 0.00 175.30 174.33 2dlg s PHE 61 N 1.67 -0.12 -0.26 5.12 -0.12 -0.84 -3.63 117.98 119.80 2dlg s PHE 61 Ca 0.39 -0.26 0.02 0.00 -0.05 0.00 0.00 56.93 57.04 2dlg s PHE 61 Cb -0.17 0.49 0.07 0.00 -0.63 0.00 0.00 43.02 42.77 2dlg s PHE 61 CO 0.15 -1.03 -0.06 0.08 -0.05 0.00 0.00 175.22 174.31 2dlg s VAL 62 N -3.90 1.94 0.77 -2.49 1.01 -1.26 -0.17 120.40 116.30 2dlg s VAL 62 Ca 0.11 -1.59 -0.13 0.00 0.00 0.00 0.00 61.98 60.37 2dlg s VAL 62 Cb -0.03 -2.16 0.19 0.00 0.00 0.00 0.00 36.38 34.38 2dlg s VAL 62 CO 0.01 -0.15 0.68 -0.81 0.00 0.00 0.00 175.10 174.84 2dlg n PRO 63 N 4.50 -2.35 -4.47 2.72 -0.04 -1.26 -4.95 135.00 129.15 2dlg n PRO 63 Ca -0.11 -1.09 -0.28 0.00 -0.04 0.00 0.00 63.50 61.98 2dlg n PRO 63 Cb 0.43 -1.02 -0.08 0.00 -0.04 0.00 0.00 33.50 32.78 2dlg n PRO 63 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2dlg s GLN 64 N -4.55 2.12 -0.07 0.54 -1.52 -1.26 -3.98 119.66 110.93 2dlg s GLN 64 Ca 0.44 -2.11 -0.26 0.00 -1.95 0.00 0.00 55.36 51.48 2dlg s GLN 64 Cb -0.04 -1.74 -0.03 0.00 -0.22 0.00 0.00 33.01 30.98 2dlg s GLN 64 CO 0.34 -0.19 0.83 -1.83 -0.25 0.00 0.00 175.29 174.18 2dlg s GLU 65 N -3.85 4.45 -1.34 2.91 -1.05 -1.26 -3.98 118.70 114.57 2dlg s GLU 65 Ca 0.29 1.10 -0.01 0.00 -0.15 0.00 0.00 54.97 56.20 2dlg s GLU 65 Cb 0.05 -3.48 -0.00 0.00 -0.44 0.00 0.00 34.13 30.26 2dlg s GLU 65 CO 0.16 -0.07 0.57 -1.33 0.95 0.00 0.00 175.26 175.54 2dlg n MET 66 N 4.15 -3.90 -3.75 -4.83 2.81 -1.26 -4.98 117.12 105.37 2dlg n MET 66 Ca 0.03 0.51 -0.13 0.00 -1.81 0.00 0.00 57.70 56.30 2dlg n MET 66 Cb 0.51 -4.81 -0.14 0.00 -0.71 0.00 0.00 33.22 28.07 2dlg n MET 66 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 2dlg s GLY 67 N -4.31 -0.08 -0.30 3.03 0.00 -1.26 -5.03 107.32 99.37 2dlg s GLY 67 Ca 0.03 0.78 -0.18 0.00 0.00 0.00 0.00 44.72 45.36 2dlg s GLY 67 CO 0.85 1.04 0.49 0.14 0.00 0.00 0.00 173.10 175.62 2dlg s VAL 68 N 1.10 5.06 0.45 1.40 1.01 -1.26 -3.21 120.40 124.95 2dlg s VAL 68 Ca -0.08 0.59 0.08 0.00 0.00 0.00 0.00 61.98 62.57 2dlg s VAL 68 Cb -0.10 -3.87 0.01 0.00 0.00 0.00 0.00 36.38 32.42 2dlg s VAL 68 CO -0.06 -0.04 0.49 -1.00 0.00 0.00 0.00 175.10 174.49 2dlg s HIS 69 N 2.31 2.45 -0.03 5.22 3.76 -1.03 -3.32 115.29 124.66 2dlg s HIS 69 Ca 0.19 -0.53 0.01 0.00 -0.15 0.00 0.00 55.06 54.58 2dlg s HIS 69 Cb -0.16 -2.21 0.01 0.00 1.11 0.00 0.00 32.58 31.34 2dlg s HIS 69 CO 0.11 -0.38 -0.04 0.99 -0.85 0.00 0.00 174.74 174.57 2dlg s THR 70 N -2.50 0.42 -0.46 1.30 2.01 -0.19 -2.42 115.64 113.80 2dlg s THR 70 Ca 0.50 -0.12 -0.15 0.00 0.31 0.00 0.00 61.69 62.23 2dlg s THR 70 Cb -0.05 -0.43 0.07 0.00 0.01 0.00 0.00 72.50 72.10 2dlg s THR 70 CO 0.30 0.17 0.38 -0.69 -0.69 0.00 0.00 174.62 174.09 2dlg s VAL 71 N 0.53 5.19 -0.62 3.82 1.01 0.54 -0.87 120.40 130.00 2dlg s VAL 71 Ca -0.06 -1.04 -0.20 0.00 0.00 0.00 0.00 61.98 60.67 2dlg s VAL 71 Cb -0.10 -4.08 0.09 0.00 0.00 0.00 0.00 36.38 32.29 2dlg s VAL 71 CO -0.00 -0.55 0.82 -0.44 0.00 0.00 0.00 175.10 174.92 2dlg s SER 72 N 2.49 6.18 -0.44 3.32 0.01 -1.02 -1.09 113.70 123.16 2dlg s SER 72 Ca 0.04 -1.26 -0.12 0.00 1.31 0.00 0.00 55.95 55.92 2dlg s SER 72 Cb -0.24 -2.35 0.07 0.00 0.21 0.00 0.00 66.02 63.72 2dlg s SER 72 CO 0.07 -1.25 0.31 -0.69 0.41 0.00 0.00 173.24 172.08 2dlg s VAL 73 N 3.25 4.60 0.20 3.43 1.01 -1.26 -3.44 120.40 128.18 2dlg s VAL 73 Ca 0.16 -1.26 0.09 0.00 0.00 0.00 0.00 61.98 60.97 2dlg s VAL 73 Cb -0.21 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 2dlg s VAL 73 CO 0.08 -0.52 -0.11 -0.54 0.00 0.00 0.00 175.10 174.00 2dlg s LYS 74 N 1.51 2.00 -0.19 2.72 1.02 -1.16 -2.60 119.74 123.03 2dlg s LYS 74 Ca 0.03 -1.34 -0.03 0.00 0.02 0.00 0.00 55.97 54.65 2dlg s LYS 74 Cb -0.23 -2.10 0.06 0.00 -0.52 0.00 0.00 37.83 35.04 2dlg s LYS 74 CO 0.04 0.42 0.06 -0.47 -0.92 0.00 0.00 175.35 174.47 2dlg s TYR 75 N -1.80 0.76 -1.81 3.18 5.04 0.11 -3.40 117.35 119.44 2dlg s TYR 75 Ca 0.25 -0.72 0.00 0.00 -2.44 0.00 0.00 57.07 54.17 2dlg s TYR 75 Cb -0.08 -0.94 0.00 0.00 0.35 0.00 0.00 41.96 41.29 2dlg s TYR 75 CO 0.15 -0.59 0.00 0.54 -1.34 0.00 0.00 175.55 174.30 2dlg n ARG 76 N 5.12 -1.56 -1.56 4.97 1.74 -1.26 -2.41 116.66 121.70 2dlg n ARG 76 Ca -0.08 1.02 0.00 0.00 -0.77 0.00 0.00 57.85 58.02 2dlg n ARG 76 Cb 0.47 -5.58 0.00 0.00 -1.02 0.00 0.00 32.46 26.33 2dlg n ARG 76 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2dlg n GLY 77 N -0.91 0.97 3.24 -0.13 0.00 -1.26 -5.09 105.19 102.01 2dlg n GLY 77 Ca -0.23 -0.46 -0.10 0.00 0.00 0.00 0.00 46.02 45.23 2dlg n GLY 77 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2dlg s GLN 78 N -3.18 0.34 -0.19 1.61 -2.07 -1.01 -5.13 119.66 110.03 2dlg s GLN 78 Ca 0.00 0.84 -0.29 0.00 -1.82 0.00 0.00 55.36 54.08 2dlg s GLN 78 Cb 0.00 0.07 -0.01 0.00 -1.09 0.00 0.00 33.01 31.98 2dlg s GLN 78 CO 0.00 -0.19 1.24 -1.01 -1.32 0.00 0.00 175.29 174.01 2dlg s HIS 79 N 1.80 2.88 1.01 9.60 3.76 -1.26 0.09 115.29 133.16 2dlg s HIS 79 Ca -0.07 1.04 -0.11 0.00 -0.15 0.00 0.00 55.06 55.77 2dlg s HIS 79 Cb -0.10 -3.53 0.18 0.00 1.11 0.00 0.00 32.58 30.24 2dlg s HIS 79 CO -0.12 -1.58 0.99 1.33 -0.85 0.00 0.00 174.74 174.51 2dlg n VAL 80 N 5.47 0.00 -1.69 -0.90 0.24 -1.07 -4.86 118.33 115.52 2dlg n VAL 80 Ca 0.14 -0.16 -0.43 0.00 -2.04 0.00 0.00 64.34 61.85 2dlg n VAL 80 Cb 0.45 -0.95 -0.03 0.00 -1.47 0.00 0.00 33.84 31.84 2dlg n VAL 80 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 2dlg n THR 81 N -4.43 0.40 0.00 3.34 -1.04 -1.26 -1.94 114.28 109.35 2dlg n THR 81 Ca 0.08 -0.07 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 2dlg n THR 81 Cb 0.53 -2.11 0.00 0.00 -1.82 0.00 0.00 70.33 66.94 2dlg n THR 81 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2dlg n GLY 82 N 4.24 3.11 3.79 3.41 0.00 -1.26 -5.04 105.19 113.44 2dlg n GLY 82 Ca 0.18 -0.82 -0.34 0.00 0.00 0.00 0.00 46.02 45.05 2dlg n GLY 82 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dlg s SER 83 N 0.07 5.84 0.63 1.61 1.04 -0.82 -4.24 113.70 117.84 2dlg s SER 83 Ca 0.00 1.94 -0.16 0.00 0.48 0.00 0.00 55.95 58.21 2dlg s SER 83 Cb 0.00 -2.55 -0.01 0.00 0.10 0.00 0.00 66.02 63.56 2dlg s SER 83 CO 0.00 -1.13 1.11 -2.16 0.98 0.00 0.00 173.24 172.05 2dlg s PRO 84 N -3.70 2.92 -0.30 4.02 0.04 -1.26 -4.69 135.00 132.02 2dlg s PRO 84 Ca 0.67 1.43 -0.09 0.00 0.04 0.00 0.00 61.00 63.05 2dlg s PRO 84 Cb -0.18 -1.96 -0.01 0.00 0.04 0.00 0.00 34.50 32.39 2dlg s PRO 84 CO 0.31 -1.16 0.14 -0.06 0.04 0.00 0.00 177.00 176.27 2dlg s PHE 85 N -2.22 3.17 -0.12 0.56 0.08 -0.25 -4.90 117.98 114.29 2dlg s PHE 85 Ca 0.68 -0.58 -0.12 0.00 0.12 0.00 0.00 56.93 57.03 2dlg s PHE 85 Cb -0.21 -2.33 -0.05 0.00 -0.57 0.00 0.00 43.02 39.86 2dlg s PHE 85 CO 0.38 -0.45 0.27 -1.14 -0.10 0.00 0.00 175.22 174.18 2dlg s GLN 86 N 1.61 4.00 -0.03 0.44 0.74 -1.26 -0.34 119.66 124.82 2dlg s GLN 86 Ca 0.05 0.08 -0.02 0.00 0.05 0.00 0.00 55.36 55.52 2dlg s GLN 86 Cb -0.17 -3.33 0.01 0.00 1.10 0.00 0.00 33.01 30.62 2dlg s GLN 86 CO 0.06 0.46 0.07 -0.59 -0.55 0.00 0.00 175.29 174.73 2dlg s PHE 87 N -0.19 -0.08 -0.12 1.67 -0.12 -1.02 -5.02 117.98 113.12 2dlg s PHE 87 Ca 0.17 0.20 -0.09 0.00 -0.05 0.00 0.00 56.93 57.15 2dlg s PHE 87 Cb -0.13 0.01 -0.04 0.00 -0.63 0.00 0.00 43.02 42.23 2dlg s PHE 87 CO 0.05 -0.04 0.20 0.99 -0.05 0.00 0.00 175.22 176.37 2dlg s THR 88 N 0.11 5.40 0.04 -4.49 2.01 -1.26 -2.46 115.64 114.99 2dlg s THR 88 Ca -0.01 0.34 -0.17 0.00 0.31 0.00 0.00 61.69 62.17 2dlg s THR 88 Cb -0.01 -3.48 -0.06 0.00 0.01 0.00 0.00 72.50 68.95 2dlg s THR 88 CO -0.00 0.57 0.49 -0.69 -0.69 0.00 0.00 174.62 174.30 2dlg s VAL 89 N -0.70 4.88 0.00 3.82 1.01 -1.20 -4.45 120.40 123.76 2dlg s VAL 89 Ca 0.16 1.02 0.00 0.00 0.00 0.00 0.00 61.98 63.16 2dlg s VAL 89 Cb -0.13 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.45 2dlg s VAL 89 CO 0.05 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.31 2dlg n GLY 90 N 1.71 4.70 3.76 4.51 0.00 -1.21 -4.25 105.19 114.42 2dlg n GLY 90 Ca -0.12 -1.99 -0.41 0.00 0.00 0.00 0.00 46.02 43.51 2dlg n GLY 90 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dlg s PRO 91 N 2.19 4.45 0.63 1.61 0.04 -1.26 -3.78 135.00 138.88 2dlg s PRO 91 Ca 0.00 2.06 0.27 0.00 0.04 0.00 0.00 61.00 63.37 2dlg s PRO 91 Cb 0.00 -3.13 1.42 0.00 0.04 0.00 0.00 34.50 32.84 2dlg s PRO 91 CO 0.00 -0.07 1.82 1.37 0.04 0.00 0.00 177.00 180.16 2dlg h LEU 92 N 3.84 0.00 0.00 -3.56 8.10 -1.95 -3.40 115.31 118.34 2dlg h LEU 92 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.51 2dlg h LEU 92 Cb 1.22 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.44 2dlg h LEU 92 CO 0.68 0.00 0.00 0.61 -4.11 0.00 0.00 178.44 175.62 2dlg n GLY 93 N -1.39 -1.82 2.73 0.17 0.00 -1.26 -4.78 105.19 98.85 2dlg n GLY 93 Ca 0.04 -1.97 -0.19 0.00 0.00 0.00 0.00 46.02 43.90 2dlg n GLY 93 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2dlg n GLU 94 N 0.00 0.92 0.00 1.61 0.28 -1.26 -5.06 120.64 117.13 2dlg n GLU 94 Ca 0.00 -2.49 0.00 0.00 -0.16 0.00 0.00 57.16 54.51 2dlg n GLU 94 Cb 0.00 0.30 0.00 0.00 1.43 0.00 0.00 31.44 33.17 2dlg n GLU 94 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2dlg n GLY 95 N 0.26 0.09 2.69 -1.84 0.00 -1.26 -4.94 105.19 100.19 2dlg n GLY 95 Ca -0.03 -1.73 -0.30 0.00 0.00 0.00 0.00 46.02 43.97 2dlg n GLY 95 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2dlg s GLY 96 N 0.00 1.41 -0.27 -0.02 0.00 -1.26 -5.09 107.32 102.09 2dlg s GLY 96 Ca 0.00 -2.26 -0.06 0.00 0.00 0.00 0.00 44.72 42.39 2dlg s GLY 96 CO 0.00 1.63 0.05 -0.56 0.00 0.00 0.00 173.10 174.22 2dlg s SER 97 N 0.77 4.96 0.17 1.64 0.01 -1.26 -5.08 113.70 114.90 2dlg s SER 97 Ca 0.16 -0.53 -0.07 0.00 1.31 0.00 0.00 55.95 56.81 2dlg s SER 97 Cb -0.23 -1.86 -0.02 0.00 0.21 0.00 0.00 66.02 64.13 2dlg s SER 97 CO -0.06 -0.12 0.25 -0.83 0.41 0.00 0.00 173.24 172.89 2dlg s GLY 98 N 1.52 0.66 -0.46 3.44 0.00 -1.26 -5.11 107.32 106.11 2dlg s GLY 98 Ca 0.04 -1.06 -0.28 0.00 0.00 0.00 0.00 44.72 43.42 2dlg s GLY 98 CO 0.01 -0.96 1.77 2.56 0.00 0.00 0.00 173.10 176.48 2dlg s PRO 99 N -4.00 3.08 -0.36 2.90 0.04 -1.26 -4.94 135.00 130.45 2dlg s PRO 99 Ca 0.21 1.03 -0.29 0.00 0.04 0.00 0.00 61.00 61.99 2dlg s PRO 99 Cb 0.04 -4.25 -0.01 0.00 0.04 0.00 0.00 34.50 30.32 2dlg s PRO 99 CO 0.02 -2.17 1.66 -1.12 0.04 0.00 0.00 177.00 175.42 2dlg s SER 100 N 6.61 6.05 0.86 6.66 0.01 -1.26 -4.97 113.70 127.66 2dlg s SER 100 Ca 0.72 1.12 -0.13 0.00 1.31 0.00 0.00 55.95 58.98 2dlg s SER 100 Cb -0.17 -2.53 0.08 0.00 0.21 0.00 0.00 66.02 63.61 2dlg s SER 100 CO 0.28 -1.61 0.98 -1.54 0.41 0.00 0.00 173.24 171.76 2dlg n SER 101 N 9.75 0.06 0.00 2.44 3.41 -1.26 -5.35 113.62 122.66 2dlg n SER 101 Ca 0.20 0.50 0.00 0.00 -0.26 0.00 0.00 58.87 59.31 2dlg n SER 101 Cb 0.47 -1.42 0.00 0.00 -0.26 0.00 0.00 64.21 63.00 2dlg n SER 101 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49