#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dad s SER 2 N 0.00 5.08 -0.04 1.61 0.01 -1.26 -4.98 113.70 114.12 2dad s SER 2 Ca 0.00 2.14 -0.30 0.00 1.31 0.00 0.00 55.95 59.10 2dad s SER 2 Cb 0.00 -2.57 -0.02 0.00 0.21 0.00 0.00 66.02 63.64 2dad s SER 2 CO 0.00 -1.66 1.02 -0.44 0.41 0.00 0.00 173.24 172.57 2dad s SER 3 N -2.23 7.29 -0.70 2.44 0.01 -1.26 -4.99 113.70 114.26 2dad s SER 3 Ca 0.70 1.64 0.04 0.00 1.31 0.00 0.00 55.95 59.65 2dad s SER 3 Cb -0.24 -2.56 0.27 0.00 0.21 0.00 0.00 66.02 63.70 2dad s SER 3 CO 0.38 -0.36 0.90 0.61 0.41 0.00 0.00 173.24 175.18 2dad n GLY 4 N 3.02 5.00 0.13 3.44 0.00 -1.26 -4.80 105.19 110.72 2dad n GLY 4 Ca 0.08 -2.76 -0.23 0.00 0.00 0.00 0.00 46.02 43.11 2dad n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dad n SER 5 N 0.76 1.99 0.16 1.61 3.41 -1.26 -4.16 113.62 116.13 2dad n SER 5 Ca 0.30 0.18 0.07 0.00 -0.26 0.00 0.00 58.87 59.16 2dad n SER 5 Cb 0.39 -0.74 0.07 0.00 -0.26 0.00 0.00 64.21 63.68 2dad n SER 5 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2dad h SER 6 N -0.43 0.00 -4.02 4.04 4.64 -1.87 -3.47 113.55 112.44 2dad h SER 6 Ca -0.53 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.79 2dad h SER 6 Cb 1.75 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.84 2dad h SER 6 CO -0.15 0.27 -0.30 0.61 -0.87 0.00 0.00 176.83 176.38 2dad n GLY 7 N 1.18 -3.52 3.55 -0.77 0.00 -1.12 -4.96 105.19 99.56 2dad n GLY 7 Ca 0.02 -1.02 -0.11 0.00 0.00 0.00 0.00 46.02 44.91 2dad n GLY 7 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2dad s GLN 8 N -5.22 0.69 -0.06 1.61 0.74 0.01 -4.85 119.66 112.58 2dad s GLN 8 Ca 0.00 1.01 0.02 0.00 0.05 0.00 0.00 55.36 56.44 2dad s GLN 8 Cb 0.00 0.23 -0.03 0.00 1.10 0.00 0.00 33.01 34.31 2dad s GLN 8 CO 0.00 -0.12 -0.10 -1.50 -0.55 0.00 0.00 175.29 173.02 2dad s ILE 9 N 0.97 3.46 -0.26 -2.34 2.07 -1.22 -2.31 121.20 121.57 2dad s ILE 9 Ca -0.05 -0.58 0.00 0.00 -1.41 0.00 0.00 60.65 58.62 2dad s ILE 9 Cb -0.05 -2.40 0.08 0.00 0.13 0.00 0.00 42.46 40.22 2dad s ILE 9 CO -0.09 0.59 0.02 -2.28 -1.91 0.00 0.00 174.94 171.27 2dad s HIS 10 N -0.79 2.17 0.32 3.50 2.46 0.45 -1.59 115.29 121.83 2dad s HIS 10 Ca 0.12 -1.79 -0.06 0.00 0.47 0.00 0.00 55.06 53.81 2dad s HIS 10 Cb -0.11 -1.72 -0.05 0.00 -0.13 0.00 0.00 32.58 30.57 2dad s HIS 10 CO 0.01 -0.80 0.61 -0.51 -2.47 0.00 0.00 174.74 171.58 2dad s LEU 11 N 1.46 3.99 -0.11 8.88 2.01 0.12 -0.07 118.68 134.97 2dad s LEU 11 Ca 0.02 0.80 -0.02 0.00 0.01 0.00 0.00 54.13 54.94 2dad s LEU 11 Cb -0.18 -3.64 0.04 0.00 0.01 0.00 0.00 46.19 42.42 2dad s LEU 11 CO -0.12 -0.26 -0.00 -0.36 1.01 0.00 0.00 176.35 176.62 2dad s PHE 12 N -2.18 0.90 0.22 0.29 0.08 -1.02 -0.58 117.98 115.70 2dad s PHE 12 Ca 0.45 -0.45 -0.15 0.00 0.12 0.00 0.00 56.93 56.90 2dad s PHE 12 Cb -0.11 -0.94 0.26 0.00 -0.57 0.00 0.00 43.02 41.67 2dad s PHE 12 CO 0.31 -0.44 1.58 1.03 -0.10 0.00 0.00 175.22 177.61 2dad h SER 13 N 8.28 -0.99 -3.16 1.36 0.87 0.29 -3.12 113.55 117.07 2dad h SER 13 Ca -0.20 0.25 -0.50 0.00 -1.23 0.00 0.00 61.79 60.10 2dad h SER 13 Cb 1.12 0.57 0.00 0.00 -0.44 0.00 0.00 62.40 63.65 2dad h SER 13 CO 0.30 -0.28 -0.12 -1.61 -0.53 0.00 0.00 176.83 174.60 2dad s GLU 14 N -6.12 3.59 0.91 2.24 2.02 -0.84 -3.34 118.70 117.15 2dad s GLU 14 Ca -0.14 -0.05 -0.12 0.00 0.02 0.00 0.00 54.97 54.68 2dad s GLU 14 Cb 0.20 -2.61 0.14 0.00 0.10 0.00 0.00 34.13 31.96 2dad s GLU 14 CO 0.73 0.14 1.09 -1.25 0.02 0.00 0.00 175.26 175.99 2dad s PRO 15 N -3.90 1.15 -1.40 0.39 0.04 -1.26 -2.99 135.00 127.04 2dad s PRO 15 Ca 0.43 0.78 -0.02 0.00 0.04 0.00 0.00 61.00 62.24 2dad s PRO 15 Cb -0.10 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.64 2dad s PRO 15 CO 0.33 -2.30 0.24 1.04 0.04 0.00 0.00 177.00 176.35 2dad n GLN 16 N -3.92 -2.65 -3.80 4.56 6.02 0.87 -2.45 117.38 116.01 2dad n GLN 16 Ca 0.07 0.80 -0.26 0.00 -0.01 0.00 0.00 57.00 57.60 2dad n GLN 16 Cb 0.55 -5.30 0.03 0.00 1.02 0.00 0.00 30.24 26.54 2dad n GLN 16 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 2dad n PHE 17 N -4.15 -2.15 -4.75 1.08 3.01 -1.25 -4.98 117.46 104.26 2dad n PHE 17 Ca -0.15 0.88 -0.33 0.00 1.01 0.00 0.00 57.45 58.86 2dad n PHE 17 Cb 0.63 -4.23 -0.08 0.00 -0.01 0.00 0.00 39.48 35.80 2dad n PHE 17 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 2dad s GLN 18 N -6.31 2.18 2.91 -1.08 -0.21 -1.03 -5.05 119.66 111.08 2dad s GLN 18 Ca 0.35 -2.39 0.00 0.00 0.02 0.00 0.00 55.36 53.34 2dad s GLN 18 Cb -0.17 -1.49 0.00 0.00 1.00 0.00 0.00 33.01 32.35 2dad s GLN 18 CO 0.82 -0.37 0.00 0.41 -2.12 0.00 0.00 175.29 174.03 2dad n GLY 19 N -1.25 0.36 3.68 3.09 0.00 -1.26 -1.99 105.19 107.82 2dad n GLY 19 Ca -0.19 -0.92 -0.38 0.00 0.00 0.00 0.00 46.02 44.54 2dad n GLY 19 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2dad n HIS 20 N 0.00 1.45 -4.13 1.61 8.25 -1.26 -4.73 115.22 116.41 2dad n HIS 20 Ca 0.00 0.43 -0.15 0.00 -0.26 0.00 0.00 57.72 57.74 2dad n HIS 20 Cb 0.00 -2.22 -0.13 0.00 1.12 0.00 0.00 29.99 28.77 2dad n HIS 20 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2dad s SER 21 N -1.26 0.92 -0.10 0.41 1.04 -1.26 0.83 113.70 114.27 2dad s SER 21 Ca 0.78 -0.40 -0.05 0.00 0.48 0.00 0.00 55.95 56.76 2dad s SER 21 Cb -0.40 -0.02 0.05 0.00 0.10 0.00 0.00 66.02 65.75 2dad s SER 21 CO 0.44 -0.09 0.24 -1.10 0.98 0.00 0.00 173.24 173.72 2dad s GLN 22 N -1.09 0.20 0.11 4.02 -0.21 0.26 -4.98 119.66 117.97 2dad s GLN 22 Ca -0.05 0.52 0.07 0.00 0.02 0.00 0.00 55.36 55.93 2dad s GLN 22 Cb -0.07 -0.13 -0.04 0.00 1.00 0.00 0.00 33.01 33.77 2dad s GLN 22 CO 0.00 -0.16 -0.09 -1.54 -2.12 0.00 0.00 175.29 171.38 2dad s SER 23 N 1.26 4.47 -0.18 5.90 1.04 -1.26 0.15 113.70 125.10 2dad s SER 23 Ca -0.09 -0.37 -0.04 0.00 0.48 0.00 0.00 55.95 55.93 2dad s SER 23 Cb -0.10 -0.88 0.06 0.00 0.10 0.00 0.00 66.02 65.20 2dad s SER 23 CO -0.08 0.17 0.06 -0.36 0.98 0.00 0.00 173.24 174.00 2dad s PHE 24 N -1.27 0.64 -1.01 5.02 0.40 -0.62 -4.99 117.98 116.16 2dad s PHE 24 Ca 0.22 -0.58 0.15 0.00 -0.60 0.00 0.00 56.93 56.12 2dad s PHE 24 Cb -0.11 -0.87 0.66 0.00 0.51 0.00 0.00 43.02 43.22 2dad s PHE 24 CO 0.15 -0.55 1.55 0.39 0.70 0.00 0.00 175.22 177.46 2dad n GLU 25 N 5.15 3.67 -3.77 0.44 1.02 -1.26 -3.39 120.64 122.50 2dad n GLU 25 Ca -0.08 -2.60 -0.11 0.00 -0.02 0.00 0.00 57.16 54.34 2dad n GLU 25 Cb 0.48 -1.91 -0.07 0.00 -0.02 0.00 0.00 31.44 29.92 2dad n GLU 25 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2dad s GLU 26 N -1.98 0.80 -0.43 3.49 2.02 -1.26 -5.01 118.70 116.32 2dad s GLU 26 Ca 0.46 -0.52 -0.28 0.00 0.02 0.00 0.00 54.97 54.65 2dad s GLU 26 Cb 0.31 0.34 -0.08 0.00 0.10 0.00 0.00 34.13 34.80 2dad s GLU 26 CO 0.20 -0.25 2.36 2.41 0.02 0.00 0.00 175.26 180.00 2dad n THR 27 N 0.59 0.07 -3.69 3.63 -1.04 -1.26 -4.84 114.28 107.75 2dad n THR 27 Ca -0.19 -0.60 -0.29 0.00 -2.04 0.00 0.00 64.05 60.94 2dad n THR 27 Cb 0.59 -2.46 -0.04 0.00 -1.82 0.00 0.00 70.33 66.61 2dad n THR 27 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 2dad s THR 28 N 10.40 5.20 -0.01 12.58 2.01 -1.16 -4.95 115.64 139.71 2dad s THR 28 Ca 1.03 -0.26 0.02 0.00 0.31 0.00 0.00 61.69 62.79 2dad s THR 28 Cb -0.37 -3.70 -0.03 0.00 0.01 0.00 0.00 72.50 68.41 2dad s THR 28 CO 0.33 -0.11 0.04 -1.20 -0.69 0.00 0.00 174.62 172.98 2dad n SER 29 N -0.45 4.49 -4.01 3.53 7.64 -1.26 0.14 113.62 123.70 2dad n SER 29 Ca -0.04 0.00 -0.17 0.00 1.01 0.00 0.00 58.87 59.67 2dad n SER 29 Cb 0.53 0.94 -0.14 0.00 -1.01 0.00 0.00 64.21 64.53 2dad n SER 29 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 2dad s GLN 30 N -2.12 0.59 0.04 1.43 0.74 -1.03 -2.95 119.66 116.36 2dad s GLN 30 Ca -0.01 -0.35 -0.05 0.00 0.05 0.00 0.00 55.36 55.00 2dad s GLN 30 Cb 0.01 -0.55 -0.05 0.00 1.10 0.00 0.00 33.01 33.52 2dad s GLN 30 CO 0.09 0.15 0.27 0.42 -0.55 0.00 0.00 175.29 175.67 2dad s ILE 31 N -0.36 5.31 -0.59 -2.34 -1.09 -0.72 -4.89 121.20 116.52 2dad s ILE 31 Ca 0.01 0.03 -0.30 0.00 -2.23 0.00 0.00 60.65 58.16 2dad s ILE 31 Cb -0.04 -3.58 -0.12 0.00 -1.58 0.00 0.00 42.46 37.13 2dad s ILE 31 CO -0.00 0.27 2.43 0.47 -1.23 0.00 0.00 174.94 176.88 2dad n ASP 32 N 0.80 1.72 -2.70 3.58 8.00 -1.26 -0.66 116.55 126.04 2dad n ASP 32 Ca -0.09 -0.05 -0.19 0.00 0.71 0.00 0.00 54.79 55.17 2dad n ASP 32 Cb 0.52 -1.31 0.00 0.00 -0.02 0.00 0.00 41.12 40.31 2dad n ASP 32 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2dad n ASP 33 N 12.69 -4.98 -3.59 -2.24 8.00 -1.26 -1.42 116.55 123.75 2dad n ASP 33 Ca 0.46 -0.07 -0.25 0.00 0.71 0.00 0.00 54.79 55.64 2dad n ASP 33 Cb 0.32 -4.13 -0.02 0.00 -0.02 0.00 0.00 41.12 37.26 2dad n ASP 33 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2dad n SER 34 N -2.11 -2.79 -4.69 -2.24 3.41 0.17 -4.77 113.62 100.61 2dad n SER 34 Ca -0.15 -0.51 -0.52 0.00 -0.26 0.00 0.00 58.87 57.43 2dad n SER 34 Cb 0.63 -2.35 -0.06 0.00 -0.26 0.00 0.00 64.21 62.17 2dad n SER 34 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10 2dad n PHE 35 N -3.77 2.22 -1.21 7.33 1.16 -0.50 -4.89 117.46 117.79 2dad n PHE 35 Ca 0.03 0.21 -0.36 0.00 -1.87 0.00 0.00 57.45 55.46 2dad n PHE 35 Cb 0.51 -2.58 0.08 0.00 -1.61 0.00 0.00 39.48 35.87 2dad n PHE 35 CO 0.00 0.00 0.00 -1.13 -1.87 0.00 0.00 176.76 173.76 2dad n SER 36 N 6.08 -1.09 -3.62 5.98 3.41 -1.26 -4.88 113.62 118.24 2dad n SER 36 Ca 0.24 0.57 -0.22 0.00 -0.26 0.00 0.00 58.87 59.20 2dad n SER 36 Cb 0.23 -1.24 -0.16 0.00 -0.26 0.00 0.00 64.21 62.78 2dad n SER 36 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2dad s THR 37 N -1.96 -0.16 -0.12 6.66 2.01 -1.26 -4.07 115.64 116.73 2dad s THR 37 Ca 0.65 0.11 0.09 0.00 0.31 0.00 0.00 61.69 62.85 2dad s THR 37 Cb -0.33 -0.41 -0.23 0.00 0.01 0.00 0.00 72.50 71.53 2dad s THR 37 CO 0.58 -0.06 0.35 0.29 -0.69 0.00 0.00 174.62 175.09 2dad n LYS 38 N 5.30 0.67 -4.47 4.92 5.02 -1.18 -4.86 118.16 123.56 2dad n LYS 38 Ca -0.05 0.20 -0.23 0.00 -2.02 0.00 0.00 58.31 56.21 2dad n LYS 38 Cb 0.50 -1.68 -0.11 0.00 -0.02 0.00 0.00 35.03 33.72 2dad n LYS 38 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2dad s SER 39 N -6.18 2.91 0.27 4.39 1.04 -1.23 -1.96 113.70 112.94 2dad s SER 39 Ca -0.13 -1.26 -0.11 0.00 0.48 0.00 0.00 55.95 54.93 2dad s SER 39 Cb 0.07 -0.20 -0.00 0.00 0.10 0.00 0.00 66.02 66.00 2dad s SER 39 CO 0.79 -0.41 0.49 0.00 0.98 0.00 0.00 173.24 175.09 2dad s ARG 41 N -3.79 0.07 -0.09 0.00 3.52 0.90 -2.29 118.95 117.27 2dad s ARG 41 Ca 0.24 0.46 -0.02 0.00 -0.13 0.00 0.00 55.73 56.27 2dad s ARG 41 Cb -0.01 -0.55 -0.03 0.00 -1.56 0.00 0.00 34.95 32.80 2dad s ARG 41 CO 0.11 -0.40 0.01 0.08 -0.81 0.00 0.00 175.30 174.29 2dad s VAL 42 N 2.29 4.39 -0.29 7.11 1.01 -1.26 -0.41 120.40 133.24 2dad s VAL 42 Ca 0.04 -0.22 0.02 0.00 0.00 0.00 0.00 61.98 61.82 2dad s VAL 42 Cb -0.13 -2.85 0.18 0.00 0.00 0.00 0.00 36.38 33.58 2dad s VAL 42 CO -0.07 0.60 0.54 -0.55 0.00 0.00 0.00 175.10 175.62 2dad s SER 43 N -0.87 -1.02 0.00 3.32 0.15 -0.98 -3.59 113.70 110.72 2dad s SER 43 Ca 0.13 0.28 0.00 0.00 0.70 0.00 0.00 55.95 57.06 2dad s SER 43 Cb -0.11 1.82 0.00 0.00 -1.71 0.00 0.00 66.02 66.01 2dad s SER 43 CO 0.02 -0.30 0.00 0.61 1.20 0.00 0.00 173.24 174.77 2dad n GLY 44 N 5.41 0.70 0.00 9.45 0.00 -1.26 -0.81 105.19 118.67 2dad n GLY 44 Ca 0.02 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.41 2dad n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dad n GLY 45 N -0.36 1.47 3.94 -0.02 0.00 -1.26 -2.78 105.19 106.18 2dad n GLY 45 Ca 0.00 -2.03 -0.25 0.00 0.00 0.00 0.00 46.02 43.74 2dad n GLY 45 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dad s SER 46 N 0.00 5.65 -0.12 1.61 0.01 -1.26 -4.49 113.70 115.10 2dad s SER 46 Ca 0.00 0.48 -0.04 0.00 1.31 0.00 0.00 55.95 57.70 2dad s SER 46 Cb 0.00 -1.56 0.06 0.00 0.21 0.00 0.00 66.02 64.73 2dad s SER 46 CO 0.00 -0.93 0.16 0.26 0.41 0.00 0.00 173.24 173.13 2dad s TRP 47 N -2.80 -0.13 0.01 2.43 0.52 -0.60 -2.51 118.94 115.86 2dad s TRP 47 Ca 0.52 0.38 -0.21 0.00 0.02 0.00 0.00 56.10 56.81 2dad s TRP 47 Cb -0.10 -0.36 -0.05 0.00 -1.15 0.00 0.00 33.47 31.81 2dad s TRP 47 CO 0.42 -0.36 0.63 0.08 0.02 0.00 0.00 176.95 177.73 2dad s VAL 48 N 2.27 4.86 -0.17 4.03 1.01 -1.05 -1.01 120.40 130.35 2dad s VAL 48 Ca 0.04 1.33 0.01 0.00 0.00 0.00 0.00 61.98 63.36 2dad s VAL 48 Cb -0.13 -3.97 0.02 0.00 0.00 0.00 0.00 36.38 32.30 2dad s VAL 48 CO -0.07 0.41 -0.19 0.68 0.00 0.00 0.00 175.10 175.93 2dad s VAL 49 N -0.19 1.98 -0.27 2.92 -7.23 -0.65 -1.94 120.40 115.02 2dad s VAL 49 Ca 0.33 -0.89 -0.08 0.00 -1.81 0.00 0.00 61.98 59.52 2dad s VAL 49 Cb -0.19 -1.79 -0.02 0.00 0.56 0.00 0.00 36.38 34.94 2dad s VAL 49 CO 0.18 0.53 0.10 -0.31 -0.31 0.00 0.00 175.10 175.29 2dad s TYR 50 N 1.29 3.12 -0.79 2.82 1.51 -0.73 -2.14 117.35 122.42 2dad s TYR 50 Ca 0.04 -0.47 0.04 0.00 -1.01 0.00 0.00 57.07 55.67 2dad s TYR 50 Cb -0.13 -2.28 0.23 0.00 -0.11 0.00 0.00 41.96 39.67 2dad s TYR 50 CO -0.12 -0.39 1.11 -0.25 -1.11 0.00 0.00 175.55 174.79 2dad n ASP 51 N 4.94 0.11 -4.96 2.29 8.00 -1.23 -0.41 116.55 125.30 2dad n ASP 51 Ca -0.15 0.53 -0.20 0.00 0.71 0.00 0.00 54.79 55.67 2dad n ASP 51 Cb 0.51 -0.54 -0.02 0.00 -0.02 0.00 0.00 41.12 41.05 2dad n ASP 51 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2dad s GLY 52 N -3.06 1.42 0.34 0.44 0.00 -0.29 -4.25 107.32 101.91 2dad s GLY 52 Ca -0.00 -1.37 -0.20 0.00 0.00 0.00 0.00 44.72 43.15 2dad s GLY 52 CO 0.04 -1.34 0.85 -0.54 0.00 0.00 0.00 173.10 172.11 2dad s GLU 53 N -4.04 4.24 -1.26 2.90 2.02 -1.26 -3.59 118.70 117.71 2dad s GLU 53 Ca 0.39 0.99 -0.08 0.00 0.02 0.00 0.00 54.97 56.29 2dad s GLU 53 Cb -0.09 -2.50 0.01 0.00 0.10 0.00 0.00 34.13 31.65 2dad s GLU 53 CO 0.29 0.16 1.05 0.09 0.02 0.00 0.00 175.26 176.87 2dad n ASN 54 N -0.08 -6.01 -3.52 -0.19 3.02 -1.15 -2.57 115.26 104.75 2dad n ASN 54 Ca 0.03 -0.48 -0.19 0.00 -0.03 0.00 0.00 54.58 53.91 2dad n ASN 54 Cb 0.52 -4.65 0.08 0.00 -0.61 0.00 0.00 39.78 35.12 2dad n ASN 54 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 2dad n PHE 55 N -4.78 -2.27 -4.30 3.10 3.72 -1.25 -5.01 117.46 106.68 2dad n PHE 55 Ca 0.00 0.94 -0.23 0.00 -0.05 0.00 0.00 57.45 58.10 2dad n PHE 55 Cb 0.56 -4.92 -0.08 0.00 -0.94 0.00 0.00 39.48 34.10 2dad n PHE 55 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 2dad s THR 56 N -3.40 3.19 0.00 4.37 -4.23 -1.06 -5.01 115.64 109.49 2dad s THR 56 Ca 0.13 -1.95 0.00 0.00 -1.18 0.00 0.00 61.69 58.69 2dad s THR 56 Cb -0.06 -2.80 0.00 0.00 1.34 0.00 0.00 72.50 70.98 2dad s THR 56 CO 0.75 -0.33 0.00 0.61 -0.54 0.00 0.00 174.62 175.11 2dad n GLY 57 N -0.91 -0.42 3.81 3.99 0.00 -1.26 -1.14 105.19 109.26 2dad n GLY 57 Ca -0.06 -1.26 -0.30 0.00 0.00 0.00 0.00 46.02 44.40 2dad n GLY 57 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2dad s ASN 58 N -4.00 4.44 -0.02 1.61 0.01 -1.26 -4.92 114.94 110.79 2dad s ASN 58 Ca 0.00 1.24 -0.00 0.00 -0.71 0.00 0.00 52.86 53.39 2dad s ASN 58 Cb 0.00 -1.96 0.03 0.00 0.41 0.00 0.00 41.25 39.73 2dad s ASN 58 CO 0.00 -2.00 0.04 0.00 -1.51 0.00 0.00 177.10 173.63 2dad s GLN 59 N -5.19 -0.03 -0.20 -0.60 -2.07 -1.26 -3.55 119.66 106.76 2dad s GLN 59 Ca 0.61 0.23 0.01 0.00 -1.82 0.00 0.00 55.36 54.38 2dad s GLN 59 Cb -0.14 -0.32 0.05 0.00 -1.09 0.00 0.00 33.01 31.50 2dad s GLN 59 CO 0.54 -0.20 -0.10 0.71 -1.32 0.00 0.00 175.29 174.92 2dad s TYR 60 N 1.32 2.42 0.51 9.60 2.02 -0.91 -4.92 117.35 127.39 2dad s TYR 60 Ca -0.06 -1.62 -0.19 0.00 -0.37 0.00 0.00 57.07 54.82 2dad s TYR 60 Cb -0.13 -1.63 -0.08 0.00 -0.40 0.00 0.00 41.96 39.72 2dad s TYR 60 CO -0.03 -0.75 1.04 0.14 -1.57 0.00 0.00 175.55 174.38 2dad s VAL 61 N 1.39 3.84 -0.11 0.71 -7.23 -1.26 -1.64 120.40 116.10 2dad s VAL 61 Ca -0.02 1.08 0.00 0.00 -1.81 0.00 0.00 61.98 61.23 2dad s VAL 61 Cb -0.17 -3.45 0.02 0.00 0.56 0.00 0.00 36.38 33.34 2dad s VAL 61 CO -0.08 -0.31 -0.10 -0.76 -0.31 0.00 0.00 175.10 173.54 2dad s LEU 62 N -3.71 1.41 0.47 1.32 1.43 -0.18 -4.91 118.68 114.51 2dad s LEU 62 Ca 0.66 -0.34 0.02 0.00 -1.03 0.00 0.00 54.13 53.43 2dad s LEU 62 Cb -0.16 -0.91 0.01 0.00 0.03 0.00 0.00 46.19 45.16 2dad s LEU 62 CO 0.24 -0.06 0.67 -1.61 0.23 0.00 0.00 176.35 175.82 2dad s GLU 63 N 1.38 2.91 0.03 1.70 0.41 -1.26 -1.56 118.70 122.30 2dad s GLU 63 Ca -0.00 -0.67 -0.35 0.00 -0.41 0.00 0.00 54.97 53.55 2dad s GLU 63 Cb -0.13 -2.58 -0.13 0.00 -1.78 0.00 0.00 34.13 29.51 2dad s GLU 63 CO -0.05 -0.36 1.70 -1.91 -0.49 0.00 0.00 175.26 174.14 2dad n GLU 64 N -2.10 2.03 0.00 1.61 0.00 -1.26 -4.59 120.64 116.32 2dad n GLU 64 Ca 0.03 0.74 0.00 0.00 0.00 0.00 0.00 57.16 57.93 2dad n GLU 64 Cb 0.58 -2.52 0.00 0.00 0.00 0.00 0.00 31.44 29.50 2dad n GLU 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2dad n GLY 65 N 3.80 3.89 3.60 8.31 0.00 -1.24 -5.00 105.19 118.55 2dad n GLY 65 Ca 0.20 -0.33 -0.43 0.00 0.00 0.00 0.00 46.02 45.46 2dad n GLY 65 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2dad s HIS 66 N -0.36 1.55 -0.50 1.61 3.76 -1.26 -4.14 115.29 115.96 2dad s HIS 66 Ca 0.00 0.57 -0.19 0.00 -0.15 0.00 0.00 55.06 55.29 2dad s HIS 66 Cb 0.00 -4.05 0.06 0.00 1.11 0.00 0.00 32.58 29.70 2dad s HIS 66 CO 0.00 -3.45 0.62 0.71 -0.85 0.00 0.00 174.74 171.77 2dad s TYR 67 N 7.35 3.06 0.14 1.40 2.02 -0.97 -4.93 117.35 125.43 2dad s TYR 67 Ca 0.88 -0.52 -0.11 0.00 -0.37 0.00 0.00 57.07 56.95 2dad s TYR 67 Cb -0.27 -3.51 -0.04 0.00 -0.40 0.00 0.00 41.96 37.74 2dad s TYR 67 CO 0.34 -1.01 1.48 -1.00 -1.57 0.00 0.00 175.55 173.79 2dad h PRO 68 N 8.98 0.95 -4.69 -1.71 0.13 -1.92 -2.79 132.00 130.94 2dad h PRO 68 Ca -0.27 -0.50 -0.38 0.00 -0.87 0.00 0.00 66.00 63.98 2dad h PRO 68 Cb 1.10 0.02 -0.13 0.00 0.13 0.00 0.00 31.00 32.11 2dad h PRO 68 CO 0.96 1.16 -0.48 0.00 -0.23 0.00 0.00 178.00 179.40 2dad h LEU 70 N 2.26 0.66 -0.84 0.00 3.38 -1.71 -3.20 115.31 115.87 2dad h LEU 70 Ca -0.28 -0.39 0.10 0.00 0.09 0.00 0.00 57.88 57.40 2dad h LEU 70 Cb 1.24 -0.18 -0.12 0.00 0.09 0.00 0.00 40.66 41.68 2dad h LEU 70 CO 0.41 0.90 -0.49 -1.28 0.09 0.00 0.00 178.44 178.07 2dad h SER 71 N 0.41 -1.77 -0.80 -0.43 0.87 -1.90 0.86 113.55 110.80 2dad h SER 71 Ca 0.08 0.30 0.11 0.00 -1.23 0.00 0.00 61.79 61.05 2dad h SER 71 Cb 0.64 0.81 -0.06 0.00 -0.44 0.00 0.00 62.40 63.35 2dad h SER 71 CO 0.04 -0.29 0.52 0.00 -0.53 0.00 0.00 176.83 176.57 2dad h ALA 72 N 0.72 1.84 -0.00 6.23 0.00 -1.92 0.07 119.26 126.21 2dad h ALA 72 Ca 0.21 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.97 2dad h ALA 72 Cb 0.52 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2dad h ALA 72 CO -0.86 -0.03 -0.71 0.52 0.00 0.00 0.00 179.25 178.17 2dad h MET 73 N 0.66 0.01 0.00 0.00 2.07 0.40 -3.47 114.93 114.58 2dad h MET 73 Ca 0.38 -0.00 0.00 0.00 -2.07 0.00 0.00 59.70 58.01 2dad h MET 73 Cb 0.57 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.31 2dad h MET 73 CO -0.15 0.71 0.00 0.41 1.07 0.00 0.00 176.91 178.95 2dad n GLY 74 N 0.51 1.11 3.88 8.32 0.00 0.21 -4.99 105.19 114.22 2dad n GLY 74 Ca -0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.73 2dad n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dad s PRO 76 N -2.83 1.88 0.00 0.00 0.04 -1.26 -4.02 135.00 128.81 2dad s PRO 76 Ca 0.33 1.04 0.00 0.00 0.04 0.00 0.00 61.00 62.41 2dad s PRO 76 Cb -0.12 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.56 2dad s PRO 76 CO 0.26 -1.87 0.29 -0.35 0.04 0.00 0.00 177.00 175.38 2dad n PRO 77 N -3.66 0.49 -2.76 0.56 -0.04 -1.26 -3.30 135.00 125.03 2dad n PRO 77 Ca 0.08 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.45 2dad n PRO 77 Cb 0.54 -1.20 0.08 0.00 -0.04 0.00 0.00 33.50 32.88 2dad n PRO 77 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2dad n GLY 78 N 0.20 1.25 3.25 0.55 0.00 -1.26 -5.12 105.19 104.05 2dad n GLY 78 Ca 0.00 -0.31 -0.31 0.00 0.00 0.00 0.00 46.02 45.40 2dad n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dad s ALA 79 N -0.31 2.09 -0.30 4.61 0.00 -1.21 -5.10 121.76 121.54 2dad s ALA 79 Ca 0.24 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 51.21 2dad s ALA 79 Cb 0.35 -0.66 0.09 0.00 0.00 0.00 0.00 23.12 22.90 2dad s ALA 79 CO -0.06 0.39 0.07 0.99 0.00 0.00 0.00 175.76 177.15 2dad s THR 80 N -0.09 1.15 0.27 0.00 2.01 -1.26 -4.64 115.64 113.08 2dad s THR 80 Ca -0.05 -1.46 -0.31 0.00 0.31 0.00 0.00 61.69 60.18 2dad s THR 80 Cb -0.14 -1.80 -0.12 0.00 0.01 0.00 0.00 72.50 70.45 2dad s THR 80 CO 0.04 -0.56 1.59 0.49 -0.69 0.00 0.00 174.62 175.50 2dad n PHE 81 N 4.75 2.75 -0.01 4.92 3.72 -1.26 -4.19 117.46 128.15 2dad n PHE 81 Ca -0.03 0.24 0.00 0.00 -0.05 0.00 0.00 57.45 57.62 2dad n PHE 81 Cb 0.43 -2.59 -0.02 0.00 -0.94 0.00 0.00 39.48 36.36 2dad n PHE 81 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2dad n LYS 82 N 2.42 1.69 -4.04 -1.08 5.02 0.46 -4.76 118.16 117.87 2dad n LYS 82 Ca 0.10 -0.01 -0.09 0.00 -2.02 0.00 0.00 58.31 56.29 2dad n LYS 82 Cb 0.36 -1.05 -0.11 0.00 -0.02 0.00 0.00 35.03 34.21 2dad n LYS 82 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2dad s SER 83 N -2.70 0.45 0.21 4.39 1.04 -0.98 -1.75 113.70 114.37 2dad s SER 83 Ca -0.01 -0.74 0.06 0.00 0.48 0.00 0.00 55.95 55.74 2dad s SER 83 Cb 0.01 0.13 -0.05 0.00 0.10 0.00 0.00 66.02 66.22 2dad s SER 83 CO 0.09 -0.42 -0.10 -0.76 0.98 0.00 0.00 173.24 173.02 2dad s LEU 84 N -2.17 2.49 -0.26 2.42 1.43 0.12 -1.78 118.68 120.93 2dad s LEU 84 Ca -0.04 -1.08 -0.01 0.00 -1.03 0.00 0.00 54.13 51.97 2dad s LEU 84 Cb -0.02 -0.54 0.14 0.00 0.03 0.00 0.00 46.19 45.80 2dad s LEU 84 CO -0.05 -0.28 0.37 -0.60 0.23 0.00 0.00 176.35 176.01 2dad s ARG 85 N -3.71 0.35 -0.46 1.70 3.52 -0.82 -2.98 118.95 116.56 2dad s ARG 85 Ca 0.23 0.33 -0.28 0.00 -0.13 0.00 0.00 55.73 55.88 2dad s ARG 85 Cb 0.02 -0.50 0.00 0.00 -1.56 0.00 0.00 34.95 32.91 2dad s ARG 85 CO 0.07 -0.79 1.53 0.12 -0.81 0.00 0.00 175.30 175.41 2dad s PHE 86 N 2.51 2.19 0.03 5.12 5.36 -1.26 -2.52 117.98 129.41 2dad s PHE 86 Ca 0.11 0.62 -0.17 0.00 -0.96 0.00 0.00 56.93 56.53 2dad s PHE 86 Cb -0.14 -4.28 -0.27 0.00 -0.34 0.00 0.00 43.02 37.98 2dad s PHE 86 CO -0.21 -2.20 1.09 0.82 -1.46 0.00 0.00 175.22 173.26 2dad h ILE 87 N 6.55 1.34 -4.44 3.12 2.04 -1.87 -3.49 117.51 120.76 2dad h ILE 87 Ca -0.28 -2.34 -0.23 0.00 1.00 0.00 0.00 64.86 63.01 2dad h ILE 87 Cb 1.12 2.67 0.11 0.00 -0.74 0.00 0.00 36.82 39.98 2dad h ILE 87 CO 1.11 0.70 -0.51 -0.24 0.00 0.00 0.00 178.15 179.21 2dad n SER 88 N -3.94 -2.63 0.00 1.72 2.88 -1.25 -4.92 113.62 105.47 2dad n SER 88 Ca -0.12 -0.41 0.00 0.00 -1.33 0.00 0.00 58.87 57.01 2dad n SER 88 Cb 0.88 -3.63 0.00 0.00 -0.75 0.00 0.00 64.21 60.71 2dad n SER 88 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dad n GLY 89 N -1.18 -0.91 3.76 0.46 0.00 -1.26 -4.31 105.19 101.75 2dad n GLY 89 Ca -0.16 0.19 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 2dad n GLY 89 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dad s PRO 90 N -0.54 4.44 0.26 1.61 0.04 -1.26 -5.03 135.00 134.52 2dad s PRO 90 Ca 0.00 2.06 -0.16 0.00 0.04 0.00 0.00 61.00 62.93 2dad s PRO 90 Cb 0.00 -3.14 0.01 0.00 0.04 0.00 0.00 34.50 31.40 2dad s PRO 90 CO 0.00 -0.11 0.59 -1.54 0.04 0.00 0.00 177.00 175.98 2dad s SER 91 N -0.31 -0.16 -0.10 6.66 1.04 -1.26 -4.85 113.70 114.72 2dad s SER 91 Ca 0.50 -0.79 0.01 0.00 0.48 0.00 0.00 55.95 56.15 2dad s SER 91 Cb -0.37 0.65 0.02 0.00 0.10 0.00 0.00 66.02 66.42 2dad s SER 91 CO 0.45 -1.24 -0.13 -0.44 0.98 0.00 0.00 173.24 172.86 2dad s SER 92 N -2.98 2.20 0.00 7.02 0.01 -1.26 -5.21 113.70 113.48 2dad s SER 92 Ca 0.17 -0.37 0.00 0.00 1.31 0.00 0.00 55.95 57.07 2dad s SER 92 Cb -0.03 -0.97 0.00 0.00 0.21 0.00 0.00 66.02 65.23 2dad s SER 92 CO 0.08 -0.00 0.00 0.61 0.41 0.00 0.00 173.24 174.34