#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 -0.63 0.22 1.61 1.04 -1.26 -5.18 113.70 109.50 2dlg s SER 2 Ca 0.00 0.57 -0.15 0.00 0.48 0.00 0.00 55.95 56.85 2dlg s SER 2 Cb 0.00 0.54 0.01 0.00 0.10 0.00 0.00 66.02 66.67 2dlg s SER 2 CO 0.00 -0.67 0.50 -0.55 0.98 0.00 0.00 173.24 173.50 2dlg s SER 3 N -1.48 -0.15 -0.29 7.02 0.15 -1.26 -5.17 113.70 112.52 2dlg s SER 3 Ca -0.09 -0.73 -0.15 0.00 0.70 0.00 0.00 55.95 55.68 2dlg s SER 3 Cb -0.00 0.58 0.14 0.00 -1.71 0.00 0.00 66.02 65.04 2dlg s SER 3 CO 0.06 -1.11 0.92 -0.83 1.20 0.00 0.00 173.24 173.48 2dlg s GLY 4 N -2.95 -0.19 0.53 9.45 0.00 -1.26 -5.18 107.32 107.73 2dlg s GLY 4 Ca 0.16 2.97 0.02 0.00 0.00 0.00 0.00 44.72 47.87 2dlg s GLY 4 CO 0.04 2.81 0.15 -0.56 0.00 0.00 0.00 173.10 175.54 2dlg s SER 5 N 1.84 4.32 0.26 1.64 0.01 -1.26 -5.16 113.70 115.36 2dlg s SER 5 Ca -0.07 -1.54 0.09 0.00 1.31 0.00 0.00 55.95 55.74 2dlg s SER 5 Cb -0.05 0.59 -0.04 0.00 0.21 0.00 0.00 66.02 66.72 2dlg s SER 5 CO -0.17 -0.99 0.04 -0.44 0.41 0.00 0.00 173.24 172.09 2dlg s SER 6 N -4.04 4.73 0.00 2.44 0.01 -1.26 -5.07 113.70 110.51 2dlg s SER 6 Ca 0.13 -0.57 0.00 0.00 1.31 0.00 0.00 55.95 56.82 2dlg s SER 6 Cb -0.00 -0.95 0.00 0.00 0.21 0.00 0.00 66.02 65.28 2dlg s SER 6 CO 0.08 -0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.33 2dlg n GLY 7 N -0.96 -0.60 3.16 3.44 0.00 -1.26 -5.12 105.19 103.85 2dlg n GLY 7 Ca -0.07 -0.31 0.05 0.00 0.00 0.00 0.00 46.02 45.70 2dlg n GLY 7 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2dlg s ARG 8 N -1.49 0.15 -0.04 1.61 6.06 -1.26 -5.17 118.95 118.82 2dlg s ARG 8 Ca 0.00 0.27 -0.03 0.00 -2.50 0.00 0.00 55.73 53.47 2dlg s ARG 8 Cb 0.00 0.15 -0.04 0.00 0.06 0.00 0.00 34.95 35.12 2dlg s ARG 8 CO 0.00 -0.16 0.14 0.00 -2.50 0.00 0.00 175.30 172.78 2dlg s ALA 9 N 2.93 3.81 -0.49 6.12 0.00 -1.26 -5.04 121.76 127.83 2dlg s ALA 9 Ca -0.03 -0.77 -0.27 0.00 0.00 0.00 0.00 51.96 50.89 2dlg s ALA 9 Cb -0.10 -1.80 -0.02 0.00 0.00 0.00 0.00 23.12 21.20 2dlg s ALA 9 CO -0.10 0.70 1.78 -1.25 0.00 0.00 0.00 175.76 176.89 2dlg s PRO 10 N -1.64 2.99 -0.67 0.00 0.04 -1.26 -4.90 135.00 129.56 2dlg s PRO 10 Ca 0.23 0.93 -0.25 0.00 0.04 0.00 0.00 61.00 61.95 2dlg s PRO 10 Cb -0.12 -4.28 -0.13 0.00 0.04 0.00 0.00 34.50 30.01 2dlg s PRO 10 CO 0.14 -2.29 2.43 0.43 0.04 0.00 0.00 177.00 177.75 2dlg n SER 11 N 11.41 1.67 -0.14 6.66 7.64 -1.26 -4.79 113.62 134.81 2dlg n SER 11 Ca 0.21 -0.73 -0.05 0.00 1.01 0.00 0.00 58.87 59.31 2dlg n SER 11 Cb 0.50 -1.46 0.04 0.00 -1.01 0.00 0.00 64.21 62.27 2dlg n SER 11 CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 2dlg h VAL 12 N 7.69 0.94 -3.28 0.44 -1.51 -1.91 -3.42 116.25 115.20 2dlg h VAL 12 Ca -0.13 -0.15 -0.56 0.00 -1.23 0.00 0.00 66.70 64.64 2dlg h VAL 12 Cb 1.18 0.48 -0.03 0.00 -2.13 0.00 0.00 31.29 30.79 2dlg h VAL 12 CO 1.17 0.08 -0.22 0.00 -1.23 0.00 0.00 177.57 177.37 2dlg s ALA 13 N -6.14 3.69 0.23 5.19 0.00 -1.25 -5.06 121.76 118.42 2dlg s ALA 13 Ca -0.13 -0.42 0.09 0.00 0.00 0.00 0.00 51.96 51.50 2dlg s ALA 13 Cb 0.13 -2.27 -0.04 0.00 0.00 0.00 0.00 23.12 20.93 2dlg s ALA 13 CO 0.73 0.59 -0.02 0.99 0.00 0.00 0.00 175.76 178.05 2dlg s THR 14 N -1.71 3.48 -0.01 0.00 2.01 -1.26 -2.44 115.64 115.71 2dlg s THR 14 Ca 0.43 -1.75 -0.27 0.00 0.31 0.00 0.00 61.69 60.42 2dlg s THR 14 Cb -0.12 -2.81 -0.04 0.00 0.01 0.00 0.00 72.50 69.54 2dlg s THR 14 CO 0.23 -0.27 0.84 0.54 -0.69 0.00 0.00 174.62 175.27 2dlg s VAL 15 N -2.08 4.88 0.00 3.82 0.11 -1.13 -3.95 120.40 122.06 2dlg s VAL 15 Ca 0.29 1.77 0.00 0.00 -2.93 0.00 0.00 61.98 61.11 2dlg s VAL 15 Cb -0.07 -4.19 0.00 0.00 -1.53 0.00 0.00 36.38 30.59 2dlg s VAL 15 CO 0.19 0.24 0.00 0.61 -3.33 0.00 0.00 175.10 172.81 2dlg n GLY 16 N 2.84 1.06 3.66 6.54 0.00 -1.25 -4.35 105.19 113.70 2dlg n GLY 16 Ca 0.02 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 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 0.00 6.80 0.01 1.61 0.01 -1.25 -4.84 113.70 116.03 2dlg s SER 17 Ca 0.00 2.01 -0.35 0.00 1.31 0.00 0.00 55.95 58.93 2dlg s SER 17 Cb 0.00 -2.54 -0.18 0.00 0.21 0.00 0.00 66.02 63.52 2dlg s SER 17 CO 0.00 -0.83 0.92 -0.38 0.41 0.00 0.00 173.24 173.35 2dlg n ILE 18 N 5.32 0.11 -3.79 1.44 2.08 -1.26 -4.59 119.36 118.66 2dlg n ILE 18 Ca 0.15 -0.03 -0.36 0.00 0.56 0.00 0.00 62.75 63.08 2dlg n ILE 18 Cb 0.44 0.00 -0.13 0.00 -0.75 0.00 0.00 39.64 39.20 2dlg n ILE 18 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2dlg s ASP 20 N 1.58 6.28 -0.17 0.00 1.11 -1.26 -2.71 116.67 121.50 2dlg s ASP 20 Ca 0.06 0.32 0.01 0.00 0.18 0.00 0.00 52.55 53.12 2dlg s ASP 20 Cb -0.15 -1.95 0.02 0.00 1.07 0.00 0.00 42.92 41.91 2dlg s ASP 20 CO 0.02 0.27 -0.18 -0.22 1.18 0.00 0.00 175.17 176.23 2dlg s LEU 21 N -1.89 1.99 -0.49 1.23 2.96 -0.90 -4.94 118.68 116.63 2dlg s LEU 21 Ca 0.26 -0.60 -0.28 0.00 -0.22 0.00 0.00 54.13 53.30 2dlg s LEU 21 Cb -0.13 -1.38 0.03 0.00 0.50 0.00 0.00 46.19 45.21 2dlg s LEU 21 CO 0.18 -0.01 1.09 0.20 -1.32 0.00 0.00 176.35 176.48 2dlg s ASN 22 N 1.32 6.56 -0.15 3.68 0.02 -1.26 -3.38 114.94 121.73 2dlg s ASN 22 Ca 0.04 0.29 -0.01 0.00 -1.02 0.00 0.00 52.86 52.15 2dlg s ASN 22 Cb -0.13 -2.52 0.04 0.00 0.02 0.00 0.00 41.25 38.66 2dlg s ASN 22 CO -0.12 -1.24 -0.01 -0.76 0.02 0.00 0.00 177.10 174.99 2dlg s LEU 23 N 4.35 1.19 -0.49 0.60 1.43 -1.06 -5.06 118.68 119.65 2dlg s LEU 23 Ca 0.44 -0.55 0.04 0.00 -1.03 0.00 0.00 54.13 53.02 2dlg s LEU 23 Cb -0.08 -0.68 0.13 0.00 0.03 0.00 0.00 46.19 45.58 2dlg s LEU 23 CO 0.29 -0.22 0.23 -1.59 0.23 0.00 0.00 176.35 175.29 2dlg s LYS 24 N 1.80 1.83 -0.39 1.70 -2.85 -1.26 -0.41 119.74 120.16 2dlg s LYS 24 Ca 0.01 -2.46 0.02 0.00 -1.00 0.00 0.00 55.97 52.54 2dlg s LYS 24 Cb -0.15 -3.19 0.12 0.00 -2.06 0.00 0.00 37.83 32.55 2dlg s LYS 24 CO -0.07 -1.09 0.17 0.42 0.10 0.00 0.00 175.35 174.88 2dlg s ILE 25 N -0.07 1.45 -1.44 3.79 1.01 -1.22 -4.96 121.20 119.77 2dlg s ILE 25 Ca 0.16 -2.24 0.15 0.00 0.00 0.00 0.00 60.65 58.72 2dlg s ILE 25 Cb -0.25 -2.05 0.26 0.00 0.01 0.00 0.00 42.46 40.43 2dlg s ILE 25 CO -0.01 -0.78 1.40 -0.81 0.00 0.00 0.00 174.94 174.74 2dlg n PRO 26 N 4.00 0.21 0.09 2.79 -0.04 -1.25 -2.56 135.00 138.24 2dlg n PRO 26 Ca 0.04 0.14 -0.12 0.00 -0.04 0.00 0.00 63.50 63.53 2dlg n PRO 26 Cb 0.38 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.24 2dlg n PRO 26 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2dlg h GLU 27 N 0.00 0.19 -6.74 0.54 3.07 -1.92 -3.45 114.58 106.26 2dlg h GLU 27 Ca 0.00 -0.28 -0.69 0.00 -0.50 0.00 0.00 59.36 57.88 2dlg h GLU 27 Cb 0.14 0.10 -0.26 0.00 -0.84 0.00 0.00 28.75 27.89 2dlg h GLU 27 CO 0.00 1.09 -0.88 0.42 -1.40 0.00 0.00 179.01 178.24 2dlg s ILE 28 N -2.86 2.19 0.60 3.13 1.01 -1.06 -5.14 121.20 119.07 2dlg s ILE 28 Ca -0.03 -1.41 -0.09 0.00 0.00 0.00 0.00 60.65 59.12 2dlg s ILE 28 Cb 0.09 -1.86 -0.03 0.00 0.01 0.00 0.00 42.46 40.67 2dlg s ILE 28 CO 0.85 0.34 0.97 0.20 0.00 0.00 0.00 174.94 177.31 2dlg s ASN 29 N -1.32 6.06 0.40 3.58 -0.87 -1.26 -4.83 114.94 116.71 2dlg s ASN 29 Ca 0.12 1.20 0.27 0.00 -1.57 0.00 0.00 52.86 52.89 2dlg s ASN 29 Cb -0.10 -2.27 0.89 0.00 -0.02 0.00 0.00 41.25 39.75 2dlg s ASN 29 CO 0.03 -0.89 1.79 0.28 -2.57 0.00 0.00 177.10 175.73 2dlg h SER 30 N -0.23 0.00 0.73 -1.22 0.02 -1.93 -2.88 113.55 108.03 2dlg h SER 30 Ca -0.45 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.25 2dlg h SER 30 Cb 1.21 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.71 2dlg h SER 30 CO 0.62 0.00 -1.38 -1.28 -1.14 0.00 0.00 176.83 173.65 2dlg h SER 31 N 0.00 0.00 -0.07 3.07 0.87 -1.96 -3.28 113.55 112.17 2dlg h SER 31 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2dlg h SER 31 Cb 0.67 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.63 2dlg h SER 31 CO 0.00 0.95 0.00 0.47 -0.53 0.00 0.00 176.83 177.72 2dlg n ASP 32 N -3.15 1.50 -4.96 6.23 8.00 -1.15 -4.89 116.55 118.13 2dlg n ASP 32 Ca -0.09 -1.56 -0.22 0.00 0.71 0.00 0.00 54.79 53.63 2dlg n ASP 32 Cb 0.98 -0.04 -0.01 0.00 -0.02 0.00 0.00 41.12 42.04 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 -1.92 3.33 -0.26 -1.24 -1.94 -1.10 -4.65 119.30 111.51 2dlg s MET 33 Ca 0.36 -0.63 -0.02 0.00 -1.71 0.00 0.00 55.69 53.69 2dlg s MET 33 Cb 0.20 -2.75 0.15 0.00 2.01 0.00 0.00 34.83 34.44 2dlg s MET 33 CO 0.31 0.15 0.47 -1.12 -0.01 0.00 0.00 175.02 174.82 2dlg s SER 34 N -4.07 -0.43 -0.10 3.03 0.01 -1.26 -5.01 113.70 105.87 2dlg s SER 34 Ca 0.40 0.53 -0.04 0.00 1.31 0.00 0.00 55.95 58.15 2dlg s SER 34 Cb -0.09 1.55 -0.04 0.00 0.21 0.00 0.00 66.02 67.65 2dlg s SER 34 CO 0.33 -0.28 0.07 0.00 0.41 0.00 0.00 173.24 173.78 2dlg s ALA 35 N 2.67 3.59 -0.12 1.44 0.00 -1.26 -3.75 121.76 124.35 2dlg s ALA 35 Ca 0.15 -0.73 -0.03 0.00 0.00 0.00 0.00 51.96 51.35 2dlg s ALA 35 Cb -0.15 -1.72 0.04 0.00 0.00 0.00 0.00 23.12 21.29 2dlg s ALA 35 CO -0.18 0.61 0.04 -1.01 0.00 0.00 0.00 175.76 175.23 2dlg s HIS 36 N -0.98 0.52 -0.62 0.00 3.76 -0.88 -1.41 115.29 115.68 2dlg s HIS 36 Ca 0.15 -0.27 -0.26 0.00 -0.15 0.00 0.00 55.06 54.53 2dlg s HIS 36 Cb -0.12 -0.76 0.04 0.00 1.11 0.00 0.00 32.58 32.85 2dlg s HIS 36 CO 0.04 -0.41 1.11 0.08 -0.85 0.00 0.00 174.74 174.71 2dlg s VAL 37 N 2.02 4.10 0.03 -0.90 1.01 -0.54 -1.18 120.40 124.95 2dlg s VAL 37 Ca 0.03 0.40 -0.20 0.00 0.00 0.00 0.00 61.98 62.22 2dlg s VAL 37 Cb -0.14 -4.71 -0.06 0.00 0.00 0.00 0.00 36.38 31.46 2dlg s VAL 37 CO -0.06 -1.42 0.58 -0.89 0.00 0.00 0.00 175.10 173.30 2dlg s THR 38 N 4.72 4.84 0.23 3.92 2.01 0.63 -1.84 115.64 130.16 2dlg s THR 38 Ca 0.34 1.22 0.01 0.00 0.31 0.00 0.00 61.69 63.57 2dlg s THR 38 Cb -0.11 -3.91 -0.04 0.00 0.01 0.00 0.00 72.50 68.46 2dlg s THR 38 CO 0.19 0.48 0.40 -0.44 -0.69 0.00 0.00 174.62 174.56 2dlg s SER 39 N -0.62 6.35 0.00 3.53 0.01 0.11 -0.35 113.70 122.73 2dlg s SER 39 Ca 0.30 0.31 0.15 0.00 1.31 0.00 0.00 55.95 58.01 2dlg s SER 39 Cb -0.19 -1.97 0.72 0.00 0.21 0.00 0.00 66.02 64.79 2dlg s SER 39 CO 0.18 -0.09 1.42 -0.81 0.41 0.00 0.00 173.24 174.34 2dlg n PRO 40 N -1.04 0.17 0.05 12.44 -0.04 -1.20 -2.06 135.00 143.33 2dlg n PRO 40 Ca -0.06 0.17 0.11 0.00 -0.04 0.00 0.00 63.50 63.68 2dlg n PRO 40 Cb 0.55 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.48 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 -1.32 0.58 0.00 3.54 3.41 -1.26 -4.96 113.62 113.61 2dlg n SER 41 Ca 0.06 0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.77 2dlg n SER 41 Cb 0.13 0.91 0.00 0.00 -0.26 0.00 0.00 64.21 64.98 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 1.25 1.58 3.17 5.00 0.00 -0.87 -5.11 105.19 110.22 2dlg n GLY 42 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.00 3.10 0.09 1.61 3.52 -1.25 -4.93 118.95 121.09 2dlg s ARG 43 Ca 0.00 -0.77 0.09 0.00 -0.13 0.00 0.00 55.73 54.91 2dlg s ARG 43 Cb 0.00 -2.69 -0.04 0.00 -1.56 0.00 0.00 34.95 30.66 2dlg s ARG 43 CO 0.00 -0.21 -0.20 0.54 -0.81 0.00 0.00 175.30 174.63 2dlg s VAL 44 N 1.34 2.71 0.31 7.11 0.11 -1.26 0.07 120.40 130.80 2dlg s VAL 44 Ca 0.05 -1.42 0.05 0.00 -2.93 0.00 0.00 61.98 57.73 2dlg s VAL 44 Cb -0.13 -2.19 -0.02 0.00 -1.53 0.00 0.00 36.38 32.51 2dlg s VAL 44 CO -0.10 0.20 0.18 0.35 -3.33 0.00 0.00 175.10 172.40 2dlg n THR 45 N 1.13 0.00 -3.69 5.04 -2.24 -0.76 -4.96 114.28 108.80 2dlg n THR 45 Ca -0.16 -2.05 -0.32 0.00 -2.27 0.00 0.00 64.05 59.24 2dlg n THR 45 Cb 0.52 0.89 -0.05 0.00 -2.10 0.00 0.00 70.33 69.59 2dlg n THR 45 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2dlg s GLU 46 N -3.24 3.62 -0.07 -0.78 2.56 -1.26 -1.46 118.70 118.07 2dlg s GLU 46 Ca 0.26 -0.08 0.02 0.00 0.00 0.00 0.00 54.97 55.16 2dlg s GLU 46 Cb 0.01 -2.89 -0.03 0.00 2.00 0.00 0.00 34.13 33.22 2dlg s GLU 46 CO 0.18 0.50 -0.10 0.00 -0.56 0.00 0.00 175.26 175.28 2dlg s ALA 47 N -1.59 2.82 -0.06 6.30 0.00 -0.50 -4.77 121.76 123.96 2dlg s ALA 47 Ca 0.39 -0.93 -0.29 0.00 0.00 0.00 0.00 51.96 51.13 2dlg s ALA 47 Cb -0.12 -1.13 -0.02 0.00 0.00 0.00 0.00 23.12 21.85 2dlg s ALA 47 CO 0.23 0.53 0.96 -2.00 0.00 0.00 0.00 175.76 175.49 2dlg s GLU 48 N -0.66 4.47 -0.45 0.00 2.12 -1.25 -4.59 118.70 118.35 2dlg s GLU 48 Ca 0.10 1.34 -0.08 0.00 0.36 0.00 0.00 54.97 56.69 2dlg s GLU 48 Cb -0.11 -3.50 0.11 0.00 0.26 0.00 0.00 34.13 30.88 2dlg s GLU 48 CO 0.01 -0.18 0.30 0.42 -0.54 0.00 0.00 175.26 175.28 2dlg s ILE 49 N 1.51 4.11 -0.06 -3.70 1.01 -1.26 -2.24 121.20 120.57 2dlg s ILE 49 Ca 0.48 -1.70 -0.14 0.00 0.00 0.00 0.00 60.65 59.29 2dlg s ILE 49 Cb -0.19 -3.66 -0.05 0.00 0.01 0.00 0.00 42.46 38.57 2dlg s ILE 49 CO 0.22 -0.68 0.38 -0.69 0.00 0.00 0.00 174.94 174.16 2dlg s VAL 50 N 1.36 5.14 -0.34 2.92 1.01 -0.64 -4.80 120.40 125.05 2dlg s VAL 50 Ca 0.05 0.75 -0.29 0.00 0.00 0.00 0.00 61.98 62.50 2dlg s VAL 50 Cb -0.25 -3.69 -0.01 0.00 0.00 0.00 0.00 36.38 32.43 2dlg s VAL 50 CO -0.00 0.51 1.69 -2.16 0.00 0.00 0.00 175.10 175.14 2dlg s PRO 51 N -0.51 3.44 0.02 2.72 0.04 -1.26 -1.99 135.00 137.46 2dlg s PRO 51 Ca 0.22 1.34 -0.17 0.00 0.04 0.00 0.00 61.00 62.43 2dlg s PRO 51 Cb -0.15 -4.14 -0.30 0.00 0.04 0.00 0.00 34.50 29.95 2dlg s PRO 51 CO 0.10 -1.73 1.04 0.52 0.04 0.00 0.00 177.00 176.98 2dlg h MET 52 N 12.15 0.51 0.00 4.56 2.86 -1.93 -3.50 114.93 129.59 2dlg h MET 52 Ca -0.32 -0.72 0.00 0.00 -2.06 0.00 0.00 59.70 56.60 2dlg h MET 52 Cb 1.15 0.24 0.00 0.00 0.06 0.00 0.00 31.60 33.06 2dlg h MET 52 CO 1.04 1.32 0.00 0.41 1.06 0.00 0.00 176.91 180.74 2dlg n GLY 53 N 1.44 -0.67 3.57 8.32 0.00 -1.26 -5.01 105.19 111.58 2dlg n GLY 53 Ca -0.14 0.65 -0.41 0.00 0.00 0.00 0.00 46.02 46.13 2dlg n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dlg s LYS 54 N 0.00 3.13 -1.15 1.61 -0.14 -1.26 -4.00 119.74 117.94 2dlg s LYS 54 Ca 0.00 0.65 -0.10 0.00 -1.36 0.00 0.00 55.97 55.16 2dlg s LYS 54 Cb 0.00 -4.20 0.01 0.00 -1.68 0.00 0.00 37.83 31.96 2dlg s LYS 54 CO 0.00 -2.13 0.19 0.09 -0.76 0.00 0.00 175.35 172.74 2dlg n ASN 55 N 10.51 -0.63 -4.62 2.83 3.02 -1.26 -4.87 115.26 120.24 2dlg n ASN 55 Ca 0.16 -1.03 -0.27 0.00 -0.03 0.00 0.00 54.58 53.41 2dlg n ASN 55 Cb 0.49 -1.27 -0.09 0.00 -0.61 0.00 0.00 39.78 38.31 2dlg n ASN 55 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2dlg s SER 56 N -4.01 4.57 -0.07 6.41 0.01 -1.26 -3.43 113.70 115.92 2dlg s SER 56 Ca 0.14 -0.44 0.02 0.00 1.31 0.00 0.00 55.95 56.98 2dlg s SER 56 Cb -0.08 -0.91 0.02 0.00 0.21 0.00 0.00 66.02 65.26 2dlg s SER 56 CO 0.79 0.11 -0.11 -1.00 0.41 0.00 0.00 173.24 173.45 2dlg s HIS 57 N -1.63 1.37 -0.28 2.43 0.09 0.45 -3.81 115.29 113.91 2dlg s HIS 57 Ca 0.26 -0.52 0.03 0.00 -0.00 0.00 0.00 55.06 54.83 2dlg s HIS 57 Cb -0.09 -1.04 0.07 0.00 -0.00 0.00 0.00 32.58 31.52 2dlg s HIS 57 CO 0.17 -0.30 -0.06 0.00 -0.00 0.00 0.00 174.74 174.56 2dlg s VAL 59 N 1.08 4.67 -0.20 0.00 1.01 -1.22 -1.62 120.40 124.12 2dlg s VAL 59 Ca -0.03 0.34 -0.04 0.00 0.00 0.00 0.00 61.98 62.25 2dlg s VAL 59 Cb -0.20 -4.31 -0.02 0.00 0.00 0.00 0.00 36.38 31.85 2dlg s VAL 59 CO -0.06 -0.72 -0.03 -0.60 0.00 0.00 0.00 175.10 173.68 2dlg s ARG 60 N 3.23 3.48 0.18 2.72 3.52 -0.95 -2.11 118.95 129.02 2dlg s ARG 60 Ca 0.28 -0.59 -0.17 0.00 -0.13 0.00 0.00 55.73 55.13 2dlg s ARG 60 Cb -0.13 -2.99 0.03 0.00 -1.56 0.00 0.00 34.95 30.30 2dlg s ARG 60 CO 0.22 -0.05 0.50 -0.59 -0.81 0.00 0.00 175.30 174.56 2dlg s PHE 61 N 1.13 -0.12 -0.43 5.12 -0.12 -1.10 -3.80 117.98 118.66 2dlg s PHE 61 Ca 0.02 -0.22 -0.12 0.00 -0.05 0.00 0.00 56.93 56.56 2dlg s PHE 61 Cb -0.15 0.36 0.07 0.00 -0.63 0.00 0.00 43.02 42.67 2dlg s PHE 61 CO 0.00 -0.88 0.30 0.08 -0.05 0.00 0.00 175.22 174.68 2dlg s VAL 62 N -3.87 4.63 1.02 -2.49 1.01 -1.26 -1.31 120.40 118.13 2dlg s VAL 62 Ca 0.09 -1.23 -0.17 0.00 0.00 0.00 0.00 61.98 60.67 2dlg s VAL 62 Cb -0.00 -3.78 0.25 0.00 0.00 0.00 0.00 36.38 32.84 2dlg s VAL 62 CO -0.04 -0.51 0.90 -0.81 0.00 0.00 0.00 175.10 174.64 2dlg n PRO 63 N 5.03 -2.79 -3.62 2.72 -0.04 -1.26 -4.92 135.00 130.11 2dlg n PRO 63 Ca -0.11 -1.44 -0.22 0.00 -0.04 0.00 0.00 63.50 61.68 2dlg n PRO 63 Cb 0.43 -1.35 -0.02 0.00 -0.04 0.00 0.00 33.50 32.52 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 -5.05 2.43 0.17 0.54 -1.52 -1.26 -3.82 119.66 111.15 2dlg s GLN 64 Ca 0.59 -1.69 -0.28 0.00 -1.95 0.00 0.00 55.36 52.03 2dlg s GLN 64 Cb -0.06 -2.31 -0.08 0.00 -0.22 0.00 0.00 33.01 30.34 2dlg s GLN 64 CO 0.45 -0.36 0.86 -1.83 -0.25 0.00 0.00 175.29 174.16 2dlg s GLU 65 N -4.21 4.68 -1.01 2.91 -1.05 -1.26 -4.08 118.70 114.67 2dlg s GLU 65 Ca 0.45 1.30 -0.09 0.00 -0.15 0.00 0.00 54.97 56.49 2dlg s GLU 65 Cb -0.03 -3.30 0.01 0.00 -0.44 0.00 0.00 34.13 30.38 2dlg s GLU 65 CO 0.27 0.47 0.17 -1.33 0.95 0.00 0.00 175.26 175.79 2dlg n MET 66 N 1.86 -0.77 -3.78 -4.83 2.81 -1.21 -4.90 117.12 106.30 2dlg n MET 66 Ca -0.03 -0.00 -0.17 0.00 -1.81 0.00 0.00 57.70 55.69 2dlg n MET 66 Cb 0.48 -2.14 -0.17 0.00 -0.71 0.00 0.00 33.22 30.68 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 -3.98 0.17 -0.35 3.03 0.00 -1.25 -4.96 107.32 99.99 2dlg s GLY 67 Ca 0.13 0.24 -0.26 0.00 0.00 0.00 0.00 44.72 44.83 2dlg s GLY 67 CO 0.70 0.87 0.91 0.14 0.00 0.00 0.00 173.10 175.72 2dlg s VAL 68 N 1.37 4.63 0.53 1.40 1.01 -1.26 -3.18 120.40 124.90 2dlg s VAL 68 Ca -0.05 1.26 0.08 0.00 0.00 0.00 0.00 61.98 63.27 2dlg s VAL 68 Cb -0.13 -4.29 0.06 0.00 0.00 0.00 0.00 36.38 32.01 2dlg s VAL 68 CO -0.03 -0.45 0.64 -1.00 0.00 0.00 0.00 175.10 174.26 2dlg s HIS 69 N 3.35 1.77 -0.08 5.22 3.76 -1.06 -3.22 115.29 125.04 2dlg s HIS 69 Ca 0.37 -0.68 -0.03 0.00 -0.15 0.00 0.00 55.06 54.57 2dlg s HIS 69 Cb -0.13 -2.16 0.04 0.00 1.11 0.00 0.00 32.58 31.44 2dlg s HIS 69 CO 0.17 -0.81 0.15 0.99 -0.85 0.00 0.00 174.74 174.38 2dlg s THR 70 N -2.63 -0.22 -0.53 1.30 2.01 0.53 -3.06 115.64 113.04 2dlg s THR 70 Ca 0.54 0.34 -0.22 0.00 0.31 0.00 0.00 61.69 62.65 2dlg s THR 70 Cb -0.05 -0.27 0.05 0.00 0.01 0.00 0.00 72.50 72.23 2dlg s THR 70 CO 0.33 0.14 0.82 -0.69 -0.69 0.00 0.00 174.62 174.53 2dlg s VAL 71 N 2.11 4.57 -0.46 3.82 1.01 0.14 -0.27 120.40 131.32 2dlg s VAL 71 Ca 0.01 0.01 -0.22 0.00 0.00 0.00 0.00 61.98 61.78 2dlg s VAL 71 Cb -0.12 -4.44 0.03 0.00 0.00 0.00 0.00 36.38 31.85 2dlg s VAL 71 CO -0.05 -0.99 0.76 -0.55 0.00 0.00 0.00 175.10 174.27 2dlg s SER 72 N 2.75 6.37 -0.28 3.32 0.15 -0.32 -1.58 113.70 124.11 2dlg s SER 72 Ca 0.25 -0.25 0.02 0.00 0.70 0.00 0.00 55.95 56.67 2dlg s SER 72 Cb -0.15 -2.37 0.07 0.00 -1.71 0.00 0.00 66.02 61.86 2dlg s SER 72 CO 0.17 -0.92 -0.06 -0.69 1.20 0.00 0.00 173.24 172.93 2dlg s VAL 73 N 3.22 2.31 0.12 4.45 1.01 -1.26 -2.08 120.40 128.17 2dlg s VAL 73 Ca 0.27 -1.74 0.11 0.00 0.00 0.00 0.00 61.98 60.61 2dlg s VAL 73 Cb -0.13 -2.43 -0.04 0.00 0.00 0.00 0.00 36.38 33.78 2dlg s VAL 73 CO 0.21 -0.15 -0.26 -0.54 0.00 0.00 0.00 175.10 174.35 2dlg s LYS 74 N 1.08 1.42 -0.23 2.72 1.02 -1.25 -3.04 119.74 121.47 2dlg s LYS 74 Ca -0.05 -1.31 0.00 0.00 0.02 0.00 0.00 55.97 54.63 2dlg s LYS 74 Cb -0.20 -1.87 0.06 0.00 -0.52 0.00 0.00 37.83 35.30 2dlg s LYS 74 CO -0.05 0.45 -0.03 -0.47 -0.92 0.00 0.00 175.35 174.32 2dlg s TYR 75 N -1.04 2.14 -1.67 3.18 5.04 -0.13 -4.13 117.35 120.74 2dlg s TYR 75 Ca 0.13 -1.60 -0.02 0.00 -2.44 0.00 0.00 57.07 53.14 2dlg s TYR 75 Cb -0.10 -1.49 0.00 0.00 0.35 0.00 0.00 41.96 40.73 2dlg s TYR 75 CO 0.05 -0.75 0.25 0.54 -1.34 0.00 0.00 175.55 174.31 2dlg n ARG 76 N 4.74 -3.02 -2.33 4.97 1.74 -1.26 -2.26 116.66 119.24 2dlg n ARG 76 Ca -0.11 0.96 0.00 0.00 -0.77 0.00 0.00 57.85 57.92 2dlg n ARG 76 Cb 0.45 -5.70 0.00 0.00 -1.02 0.00 0.00 32.46 26.18 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 -1.22 0.92 3.11 -0.13 0.00 -1.26 -5.06 105.19 101.54 2dlg n GLY 77 Ca -0.19 -0.66 -0.07 0.00 0.00 0.00 0.00 46.02 45.10 2dlg n GLY 77 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2dlg s GLN 78 N -4.66 0.37 0.21 1.61 -0.21 -0.96 -5.14 119.66 110.89 2dlg s GLN 78 Ca 0.00 0.82 -0.31 0.00 0.02 0.00 0.00 55.36 55.89 2dlg s GLN 78 Cb 0.00 0.01 -0.10 0.00 1.00 0.00 0.00 33.01 33.92 2dlg s GLN 78 CO 0.00 -0.47 1.55 -1.01 -2.12 0.00 0.00 175.29 173.24 2dlg s HIS 79 N 2.62 3.00 0.90 0.91 3.76 -1.26 -0.95 115.29 124.27 2dlg s HIS 79 Ca 0.07 0.72 -0.12 0.00 -0.15 0.00 0.00 55.06 55.59 2dlg s HIS 79 Cb -0.14 -3.94 0.13 0.00 1.11 0.00 0.00 32.58 29.74 2dlg s HIS 79 CO -0.15 -3.34 1.12 0.14 -0.85 0.00 0.00 174.74 171.66 2dlg s VAL 80 N 0.70 2.29 0.23 -0.90 -7.23 -1.17 -4.93 120.40 109.38 2dlg s VAL 80 Ca 0.67 0.09 -0.32 0.00 -1.81 0.00 0.00 61.98 60.62 2dlg s VAL 80 Cb -0.44 -2.78 -0.12 0.00 0.56 0.00 0.00 36.38 33.59 2dlg s VAL 80 CO 0.37 -0.12 1.67 0.41 -0.31 0.00 0.00 175.10 177.12 2dlg n THR 81 N -3.77 0.31 0.00 5.32 -1.04 -1.26 -2.01 114.28 111.83 2dlg n THR 81 Ca 0.06 -0.08 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 2dlg n THR 81 Cb 0.58 -1.94 0.00 0.00 -1.82 0.00 0.00 70.33 67.15 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 3.38 2.02 3.78 3.41 0.00 -1.26 -5.00 105.19 111.53 2dlg n GLY 82 Ca 0.14 -0.25 -0.35 0.00 0.00 0.00 0.00 46.02 45.55 2dlg n GLY 82 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dlg s SER 83 N 0.09 6.15 0.79 1.61 0.15 -0.85 -4.18 113.70 117.45 2dlg s SER 83 Ca 0.00 2.12 -0.11 0.00 0.70 0.00 0.00 55.95 58.66 2dlg s SER 83 Cb 0.00 -2.58 0.07 0.00 -1.71 0.00 0.00 66.02 61.79 2dlg s SER 83 CO 0.00 -0.92 1.09 -2.16 1.20 0.00 0.00 173.24 172.45 2dlg s PRO 84 N -3.02 2.14 -0.24 5.44 0.04 -1.26 -4.62 135.00 133.48 2dlg s PRO 84 Ca 0.67 1.13 -0.07 0.00 0.04 0.00 0.00 61.00 62.77 2dlg s PRO 84 Cb -0.23 -1.89 -0.03 0.00 0.04 0.00 0.00 34.50 32.40 2dlg s PRO 84 CO 0.27 -1.72 0.06 -0.06 0.04 0.00 0.00 177.00 175.59 2dlg s PHE 85 N -2.91 3.08 -0.15 0.56 0.08 -0.61 -4.91 117.98 113.11 2dlg s PHE 85 Ca 0.61 -0.46 -0.09 0.00 0.12 0.00 0.00 56.93 57.12 2dlg s PHE 85 Cb -0.17 -2.22 -0.05 0.00 -0.57 0.00 0.00 43.02 40.02 2dlg s PHE 85 CO 0.56 -0.36 0.16 -1.14 -0.10 0.00 0.00 175.22 174.34 2dlg s GLN 86 N 1.54 3.80 -0.09 0.44 0.74 -1.26 -0.68 119.66 124.15 2dlg s GLN 86 Ca 0.06 -0.12 -0.07 0.00 0.05 0.00 0.00 55.36 55.28 2dlg s GLN 86 Cb -0.15 -3.30 0.03 0.00 1.10 0.00 0.00 33.01 30.70 2dlg s GLN 86 CO 0.03 0.56 0.22 -0.59 -0.55 0.00 0.00 175.29 174.96 2dlg s PHE 87 N -0.40 -0.26 -0.02 1.67 -0.12 -1.17 -5.03 117.98 112.64 2dlg s PHE 87 Ca 0.13 0.63 -0.13 0.00 -0.05 0.00 0.00 56.93 57.51 2dlg s PHE 87 Cb -0.12 0.06 -0.05 0.00 -0.63 0.00 0.00 43.02 42.28 2dlg s PHE 87 CO 0.02 -0.15 0.36 0.99 -0.05 0.00 0.00 175.22 176.39 2dlg s THR 88 N 0.50 5.12 -0.12 -4.49 2.01 -1.26 -2.56 115.64 114.83 2dlg s THR 88 Ca -0.03 0.72 -0.07 0.00 0.31 0.00 0.00 61.69 62.62 2dlg s THR 88 Cb -0.05 -3.65 -0.04 0.00 0.01 0.00 0.00 72.50 68.77 2dlg s THR 88 CO -0.03 0.59 0.13 -0.69 -0.69 0.00 0.00 174.62 173.93 2dlg s VAL 89 N -1.07 5.44 0.00 3.82 1.01 -1.19 -3.82 120.40 124.58 2dlg s VAL 89 Ca 0.22 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.38 2dlg s VAL 89 Cb -0.16 -3.37 0.00 0.00 0.00 0.00 0.00 36.38 32.85 2dlg s VAL 89 CO 0.12 0.61 0.00 0.61 0.00 0.00 0.00 175.10 176.43 2dlg n GLY 90 N 2.08 5.57 3.77 4.51 0.00 -1.02 -3.31 105.19 116.79 2dlg n GLY 90 Ca -0.20 -2.01 -0.37 0.00 0.00 0.00 0.00 46.02 43.44 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 1.82 3.73 0.51 1.61 0.04 -1.26 -2.86 135.00 138.60 2dlg s PRO 91 Ca 0.00 1.77 0.30 0.00 0.04 0.00 0.00 61.00 63.11 2dlg s PRO 91 Cb 0.00 -2.38 1.43 0.00 0.04 0.00 0.00 34.50 33.59 2dlg s PRO 91 CO 0.00 -0.57 1.85 1.37 0.04 0.00 0.00 177.00 179.69 2dlg h LEU 92 N 1.99 0.08 0.00 -3.56 -0.00 -1.95 -3.38 115.31 108.49 2dlg h LEU 92 Ca -0.49 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.40 2dlg h LEU 92 Cb 1.25 -0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.91 2dlg h LEU 92 CO 0.60 0.02 0.00 0.61 -0.00 0.00 0.00 178.44 179.67 2dlg n GLY 93 N -1.69 3.48 3.14 0.17 0.00 -1.26 -4.80 105.19 104.23 2dlg n GLY 93 Ca 0.21 -0.42 -0.13 0.00 0.00 0.00 0.00 46.02 45.69 2dlg n GLY 93 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2dlg s GLU 94 N 2.52 0.35 0.00 1.61 2.02 -1.26 -5.15 118.70 118.78 2dlg s GLU 94 Ca 0.00 0.24 0.00 0.00 0.02 0.00 0.00 54.97 55.23 2dlg s GLU 94 Cb 0.00 0.16 0.00 0.00 0.10 0.00 0.00 34.13 34.39 2dlg s GLU 94 CO 0.00 -0.06 0.00 0.41 0.02 0.00 0.00 175.26 175.63 2dlg n GLY 95 N 2.66 0.64 2.83 -1.39 0.00 -1.26 -5.14 105.19 103.53 2dlg n GLY 95 Ca -0.14 -0.80 -0.28 0.00 0.00 0.00 0.00 46.02 44.79 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 0.92 -0.35 -0.02 0.00 -1.26 -5.09 107.32 101.52 2dlg s GLY 96 Ca 0.00 -0.90 0.02 0.00 0.00 0.00 0.00 44.72 43.84 2dlg s GLY 96 CO 0.00 1.18 0.07 -0.56 0.00 0.00 0.00 173.10 173.79 2dlg s SER 97 N 1.68 4.87 0.46 1.64 0.01 -1.26 -5.09 113.70 116.02 2dlg s SER 97 Ca -0.02 -1.95 -0.20 0.00 1.31 0.00 0.00 55.95 55.09 2dlg s SER 97 Cb -0.17 -1.68 -0.14 0.00 0.21 0.00 0.00 66.02 64.24 2dlg s SER 97 CO -0.07 -0.39 0.19 0.61 0.41 0.00 0.00 173.24 173.98 2dlg n GLY 98 N 4.40 -2.43 3.55 3.44 0.00 -1.26 -4.76 105.19 108.12 2dlg n GLY 98 Ca -0.01 -0.08 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 2dlg n GLY 98 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dlg s PRO 99 N -1.29 2.62 -0.36 1.61 0.04 -1.26 -4.95 135.00 131.41 2dlg s PRO 99 Ca 0.61 0.58 -0.01 0.00 0.04 0.00 0.00 61.00 62.21 2dlg s PRO 99 Cb -0.56 -4.41 0.09 0.00 0.04 0.00 0.00 34.50 29.66 2dlg s PRO 99 CO 0.61 -2.76 0.11 -1.54 0.04 0.00 0.00 177.00 173.46 2dlg s SER 100 N 8.12 5.05 -0.56 6.66 1.04 -1.26 -5.05 113.70 127.71 2dlg s SER 100 Ca 0.67 -1.80 -0.02 0.00 0.48 0.00 0.00 55.95 55.29 2dlg s SER 100 Cb -0.12 -1.76 0.14 0.00 0.10 0.00 0.00 66.02 64.38 2dlg s SER 100 CO 0.20 -0.42 0.36 -0.94 0.98 0.00 0.00 173.24 173.42 2dlg s SER 101 N 1.48 5.15 0.00 7.02 1.04 -1.26 -5.28 113.70 121.85 2dlg s SER 101 Ca 0.04 -2.65 0.00 0.00 0.48 0.00 0.00 55.95 53.82 2dlg s SER 101 Cb -0.21 -1.82 0.00 0.00 0.10 0.00 0.00 66.02 64.08 2dlg s SER 101 CO -0.04 -0.40 0.00 0.61 0.98 0.00 0.00 173.24 174.39