#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2edp s SER 2 N 0.00 -0.60 -0.23 1.61 0.15 -1.26 -5.07 113.70 108.30 2edp s SER 2 Ca 0.00 0.45 -0.07 0.00 0.70 0.00 0.00 55.95 57.03 2edp s SER 2 Cb 0.00 0.54 -0.18 0.00 -1.71 0.00 0.00 66.02 64.67 2edp s SER 2 CO 0.00 -0.70 -0.10 -1.20 1.20 0.00 0.00 173.24 172.44 2edp n SER 3 N 0.46 1.99 -1.07 5.45 7.64 -1.26 -5.05 113.62 121.78 2edp n SER 3 Ca -0.17 0.12 0.00 0.00 1.01 0.00 0.00 58.87 59.83 2edp n SER 3 Cb 0.60 -0.67 0.00 0.00 -1.01 0.00 0.00 64.21 63.12 2edp n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2edp n GLY 4 N 1.84 0.52 3.29 0.23 0.00 -1.26 -5.04 105.19 104.77 2edp n GLY 4 Ca -0.44 -0.44 -0.39 0.00 0.00 0.00 0.00 46.02 44.75 2edp n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2edp s SER 5 N -2.98 5.47 0.33 1.61 0.01 -1.26 -5.09 113.70 111.80 2edp s SER 5 Ca 0.00 -1.24 0.07 0.00 1.31 0.00 0.00 55.95 56.09 2edp s SER 5 Cb 0.00 -1.93 -0.02 0.00 0.21 0.00 0.00 66.02 64.29 2edp s SER 5 CO 0.00 -0.40 0.39 -0.44 0.41 0.00 0.00 173.24 173.20 2edp s SER 6 N 1.62 5.66 -0.59 2.44 0.01 -1.26 -5.08 113.70 116.51 2edp s SER 6 Ca 0.00 -0.33 -0.12 0.00 1.31 0.00 0.00 55.95 56.81 2edp s SER 6 Cb -0.20 -1.12 0.15 0.00 0.21 0.00 0.00 66.02 65.06 2edp s SER 6 CO 0.03 -0.39 0.50 -0.83 0.41 0.00 0.00 173.24 172.96 2edp s GLY 7 N -4.09 2.23 0.00 3.44 0.00 -1.26 -4.95 107.32 102.69 2edp s GLY 7 Ca 0.43 -2.77 0.00 0.00 0.00 0.00 0.00 44.72 42.38 2edp s GLY 7 CO 0.29 1.18 0.00 0.61 0.00 0.00 0.00 173.10 175.18 2edp n GLY 8 N 4.72 2.47 3.86 0.20 0.00 -1.26 -5.10 105.19 110.09 2edp n GLY 8 Ca -0.04 -1.76 -0.21 0.00 0.00 0.00 0.00 46.02 44.00 2edp n GLY 8 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2edp s SER 9 N 0.00 5.01 0.05 1.61 0.01 -1.26 -5.03 113.70 114.10 2edp s SER 9 Ca 0.00 -0.76 0.06 0.00 1.31 0.00 0.00 55.95 56.56 2edp s SER 9 Cb 0.00 -0.59 -0.03 0.00 0.21 0.00 0.00 66.02 65.62 2edp s SER 9 CO 0.00 -0.62 -0.16 -0.36 0.41 0.00 0.00 173.24 172.51 2edp s PHE 10 N -2.47 1.35 -0.02 2.43 0.40 -1.26 -3.08 117.98 115.33 2edp s PHE 10 Ca 0.47 -0.39 0.05 0.00 -0.60 0.00 0.00 56.93 56.47 2edp s PHE 10 Cb -0.03 -0.78 -0.01 0.00 0.51 0.00 0.00 43.02 42.71 2edp s PHE 10 CO 0.27 0.06 -0.17 -1.14 0.70 0.00 0.00 175.22 174.94 2edp s GLN 11 N -1.37 1.45 -0.08 0.44 0.74 -0.65 -4.95 119.66 115.24 2edp s GLN 11 Ca 0.02 -0.62 0.02 0.00 0.05 0.00 0.00 55.36 54.83 2edp s GLN 11 Cb -0.09 -1.39 -0.02 0.00 1.10 0.00 0.00 33.01 32.62 2edp s GLN 11 CO 0.02 0.36 -0.14 0.71 -0.55 0.00 0.00 175.29 175.69 2edp s TYR 12 N -0.36 2.74 -0.20 1.67 1.51 -1.26 -0.71 117.35 120.75 2edp s TYR 12 Ca 0.06 -0.36 -0.01 0.00 -1.01 0.00 0.00 57.07 55.75 2edp s TYR 12 Cb -0.07 -1.71 0.05 0.00 -0.11 0.00 0.00 41.96 40.12 2edp s TYR 12 CO -0.00 0.02 -0.03 0.14 -1.11 0.00 0.00 175.55 174.57 2edp s VAL 13 N -0.29 1.09 -1.16 0.71 -7.23 -0.97 -4.97 120.40 107.56 2edp s VAL 13 Ca 0.02 -0.80 -0.23 0.00 -1.81 0.00 0.00 61.98 59.16 2edp s VAL 13 Cb -0.13 -1.38 -0.08 0.00 0.56 0.00 0.00 36.38 35.35 2edp s VAL 13 CO 0.03 -0.04 1.94 -2.16 -0.31 0.00 0.00 175.10 174.55 2edp s PRO 14 N 1.62 2.50 -0.86 4.82 0.04 -1.25 -3.45 135.00 138.41 2edp s PRO 14 Ca -0.02 -1.10 -0.24 0.00 0.04 0.00 0.00 61.00 59.68 2edp s PRO 14 Cb -0.17 -5.23 -0.18 0.00 0.04 0.00 0.00 34.50 28.96 2edp s PRO 14 CO -0.07 -3.94 2.25 0.28 0.04 0.00 0.00 177.00 175.56 2edp n VAL 15 N 7.81 0.00 -2.98 -0.36 0.31 0.28 -4.73 118.33 118.66 2edp n VAL 15 Ca 0.44 -0.36 -0.43 0.00 -0.01 0.00 0.00 64.34 63.99 2edp n VAL 15 Cb 0.47 -1.74 -0.06 0.00 -0.91 0.00 0.00 33.84 31.60 2edp n VAL 15 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 2edp s GLN 16 N 8.50 3.40 0.78 5.55 0.74 -1.26 -2.67 119.66 134.70 2edp s GLN 16 Ca 0.89 -0.13 -0.05 0.00 0.05 0.00 0.00 55.36 56.12 2edp s GLN 16 Cb -0.16 -3.94 0.14 0.00 1.10 0.00 0.00 33.01 30.15 2edp s GLN 16 CO 0.15 -1.10 1.08 -0.51 -0.55 0.00 0.00 175.29 174.35 2edp s LEU 17 N 3.24 2.90 -0.14 3.68 1.43 0.11 -4.92 118.68 124.98 2edp s LEU 17 Ca 0.29 -0.15 -0.24 0.00 -1.03 0.00 0.00 54.13 53.00 2edp s LEU 17 Cb -0.12 -2.15 0.06 0.00 0.03 0.00 0.00 46.19 44.01 2edp s LEU 17 CO 0.22 -2.06 0.61 -1.10 0.23 0.00 0.00 176.35 174.25 2edp s GLN 18 N -5.34 0.84 0.00 1.70 -0.21 -1.26 -3.51 119.66 111.88 2edp s GLN 18 Ca 0.68 0.52 0.00 0.00 0.02 0.00 0.00 55.36 56.58 2edp s GLN 18 Cb -0.05 0.40 0.00 0.00 1.00 0.00 0.00 33.01 34.36 2edp s GLN 18 CO 0.46 -0.19 0.00 0.41 -2.12 0.00 0.00 175.29 173.86 2edp n GLY 19 N 1.91 2.80 0.00 3.09 0.00 -0.46 -4.98 105.19 107.56 2edp n GLY 19 Ca -0.17 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.05 2edp n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2edp n GLY 20 N 0.00 2.44 3.59 -0.02 0.00 0.64 -4.84 105.19 106.99 2edp n GLY 20 Ca 0.00 -1.85 -0.31 0.00 0.00 0.00 0.00 46.02 43.86 2edp n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2edp n ALA 21 N 1.40 -1.60 -1.45 4.61 0.00 -1.26 -4.62 120.51 117.60 2edp n ALA 21 Ca 0.00 -0.74 -0.32 0.00 0.00 0.00 0.00 53.44 52.37 2edp n ALA 21 Cb 0.00 -2.10 0.06 0.00 0.00 0.00 0.00 19.45 17.41 2edp n ALA 21 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2edp s PRO 22 N -4.46 2.66 -0.23 0.00 0.04 -1.26 -5.13 135.00 126.62 2edp s PRO 22 Ca 0.66 1.33 -0.11 0.00 0.04 0.00 0.00 61.00 62.92 2edp s PRO 22 Cb -0.23 -1.94 -0.10 0.00 0.04 0.00 0.00 34.50 32.27 2edp s PRO 22 CO 0.61 -1.35 -0.29 0.91 0.04 0.00 0.00 177.00 176.92 2edp n TRP 23 N -2.71 0.00 0.00 0.56 7.02 -1.26 -4.64 117.44 116.41 2edp n TRP 23 Ca 0.10 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.58 2edp n TRP 23 Cb 0.52 -0.81 0.00 0.00 -2.42 0.00 0.00 31.31 28.60 2edp n TRP 23 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2edp n GLY 24 N 1.61 1.17 3.05 6.99 0.00 -1.26 0.10 105.19 116.86 2edp n GLY 24 Ca -0.45 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.46 2edp n GLY 24 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2edp s PHE 25 N -2.00 0.02 0.26 1.61 -0.12 -1.26 0.13 117.98 116.62 2edp s PHE 25 Ca 0.00 -0.06 0.05 0.00 -0.05 0.00 0.00 56.93 56.88 2edp s PHE 25 Cb 0.00 -0.04 -0.02 0.00 -0.63 0.00 0.00 43.02 42.33 2edp s PHE 25 CO 0.00 -0.20 0.20 0.25 -0.05 0.00 0.00 175.22 175.41 2edp n THR 26 N 1.95 0.00 -4.17 -4.49 -2.24 0.11 -4.97 114.28 100.47 2edp n THR 26 Ca -0.20 -1.85 -0.13 0.00 -2.27 0.00 0.00 64.05 59.60 2edp n THR 26 Cb 0.57 0.88 -0.08 0.00 -2.10 0.00 0.00 70.33 69.59 2edp n THR 26 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2edp s LEU 27 N 0.00 1.08 0.27 3.22 1.43 -1.26 -2.19 118.68 121.24 2edp s LEU 27 Ca 0.28 -1.37 -0.18 0.00 -1.03 0.00 0.00 54.13 51.82 2edp s LEU 27 Cb 0.01 0.74 0.01 0.00 0.03 0.00 0.00 46.19 46.99 2edp s LEU 27 CO 0.20 -0.97 0.65 -1.59 0.23 0.00 0.00 176.35 174.87 2edp s LYS 28 N -3.93 1.74 4.09 1.70 -2.85 -1.13 -4.50 119.74 114.86 2edp s LYS 28 Ca 0.36 -1.08 0.00 0.00 -1.00 0.00 0.00 55.97 54.24 2edp s LYS 28 Cb 0.04 0.57 0.00 0.00 -2.06 0.00 0.00 37.83 36.38 2edp s LYS 28 CO 0.15 -0.78 0.00 0.41 0.10 0.00 0.00 175.35 175.23 2edp n GLY 29 N -0.44 0.50 0.00 0.59 0.00 -1.26 -3.07 105.19 101.52 2edp n GLY 29 Ca -0.03 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.08 2edp n GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2edp n GLY 30 N 0.00 2.46 0.33 -0.02 0.00 0.30 -4.57 105.19 103.69 2edp n GLY 30 Ca 0.00 -1.91 0.22 0.00 0.00 0.00 0.00 46.02 44.33 2edp n GLY 30 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2edp n LEU 31 N 0.00 0.10 -0.35 0.99 -0.00 -1.13 -0.07 117.00 116.54 2edp n LEU 31 Ca 0.00 1.64 -0.00 0.00 -0.00 0.00 0.00 56.01 57.64 2edp n LEU 31 Cb 0.00 -0.69 0.05 0.00 -0.00 0.00 0.00 43.42 42.78 2edp n LEU 31 CO 0.00 -1.74 0.61 -0.08 -0.00 0.00 0.00 177.39 176.18 2edp h GLU 32 N 0.00 -0.02 -0.83 1.47 4.81 -1.86 0.33 114.58 118.48 2edp h GLU 32 Ca 0.70 0.00 -0.54 0.00 -0.13 0.00 0.00 59.36 59.40 2edp h GLU 32 Cb 1.67 0.01 -0.29 0.00 0.63 0.00 0.00 28.75 30.77 2edp h GLU 32 CO -0.84 -0.01 0.28 0.72 -0.73 0.00 0.00 179.01 178.43 2edp n HIS 33 N -5.49 2.72 -3.94 0.92 8.25 0.90 -4.92 115.22 113.65 2edp n HIS 33 Ca 0.10 -2.42 -0.30 0.00 -0.26 0.00 0.00 57.72 54.85 2edp n HIS 33 Cb 0.41 -0.95 -0.07 0.00 1.12 0.00 0.00 29.99 30.50 2edp n HIS 33 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2edp s GLU 35 N -6.21 1.27 -0.44 0.00 0.41 -0.82 -4.94 118.70 107.98 2edp s GLU 35 Ca 0.38 -0.90 -0.28 0.00 -0.41 0.00 0.00 54.97 53.77 2edp s GLU 35 Cb -0.22 -1.37 -0.01 0.00 -1.78 0.00 0.00 34.13 30.75 2edp s GLU 35 CO 0.81 0.35 1.76 -1.25 -0.49 0.00 0.00 175.26 176.44 2edp s PRO 36 N -1.17 3.13 -0.67 0.39 0.04 -1.26 0.11 135.00 135.57 2edp s PRO 36 Ca 0.06 1.07 -0.29 0.00 0.04 0.00 0.00 61.00 61.88 2edp s PRO 36 Cb -0.09 -4.23 -0.14 0.00 0.04 0.00 0.00 34.50 30.08 2edp s PRO 36 CO 0.02 -2.11 2.49 -0.11 0.04 0.00 0.00 177.00 177.33 2edp n LEU 37 N 10.89 1.48 -4.03 -3.56 7.94 -1.26 -4.58 117.00 123.87 2edp n LEU 37 Ca 0.21 -0.10 -0.12 0.00 -1.11 0.00 0.00 56.01 54.89 2edp n LEU 37 Cb 0.49 -1.27 -0.12 0.00 0.53 0.00 0.00 43.42 43.05 2edp n LEU 37 CO 0.70 -1.11 -0.39 0.42 -1.11 0.00 0.00 177.39 175.89 2edp s THR 38 N 10.21 0.41 -0.01 1.96 -4.23 -1.17 -3.28 115.64 119.52 2edp s THR 38 Ca 1.15 -0.97 -0.35 0.00 -1.18 0.00 0.00 61.69 60.34 2edp s THR 38 Cb -0.71 -0.49 -0.18 0.00 1.34 0.00 0.00 72.50 72.46 2edp s THR 38 CO 0.39 -0.38 0.96 0.52 -0.54 0.00 0.00 174.62 175.57 2edp n VAL 39 N 1.61 0.00 -0.13 2.29 0.31 -0.79 -2.82 118.33 118.80 2edp n VAL 39 Ca -0.22 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 63.91 2edp n VAL 39 Cb 0.55 -0.01 -0.11 0.00 -0.91 0.00 0.00 33.84 33.35 2edp n VAL 39 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2edp n SER 40 N 1.38 1.99 -3.64 4.52 3.41 -0.93 -3.42 113.62 116.94 2edp n SER 40 Ca 0.18 -0.05 -0.15 0.00 -0.26 0.00 0.00 58.87 58.59 2edp n SER 40 Cb 0.07 -0.48 -0.08 0.00 -0.26 0.00 0.00 64.21 63.46 2edp n SER 40 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2edp s LYS 41 N -2.51 0.81 -0.17 4.33 2.36 -1.26 -4.93 119.74 118.36 2edp s LYS 41 Ca -0.35 0.58 -0.03 0.00 -2.55 0.00 0.00 55.97 53.62 2edp s LYS 41 Cb 0.10 0.39 0.06 0.00 -1.05 0.00 0.00 37.83 37.32 2edp s LYS 41 CO 0.57 -0.16 0.05 0.42 1.55 0.00 0.00 175.35 177.78 2edp s ILE 42 N -0.26 0.31 -0.39 5.43 1.01 -1.26 0.09 121.20 126.13 2edp s ILE 42 Ca -0.04 -0.35 -0.44 0.00 0.00 0.00 0.00 60.65 59.82 2edp s ILE 42 Cb -0.03 -0.82 -0.18 0.00 0.01 0.00 0.00 42.46 41.43 2edp s ILE 42 CO 0.04 -0.17 1.67 -0.62 0.00 0.00 0.00 174.94 175.85 2edp n GLU 43 N 5.13 0.54 -1.91 2.79 1.02 0.34 -4.77 120.64 123.79 2edp n GLU 43 Ca -0.08 0.20 -0.36 0.00 -0.02 0.00 0.00 57.16 56.89 2edp n GLU 43 Cb 0.48 -1.79 -0.03 0.00 -0.02 0.00 0.00 31.44 30.08 2edp n GLU 43 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2edp s ASP 44 N 3.25 5.01 0.00 1.62 1.01 -1.26 -1.76 116.67 124.54 2edp s ASP 44 Ca 1.02 0.45 0.00 0.00 0.71 0.00 0.00 52.55 54.73 2edp s ASP 44 Cb -1.30 -2.52 0.00 0.00 1.01 0.00 0.00 42.92 40.11 2edp s ASP 44 CO 0.74 -2.57 0.00 0.61 0.21 0.00 0.00 175.17 174.16 2edp n GLY 45 N 5.88 1.96 3.41 0.21 0.00 -1.26 -5.10 105.19 110.28 2edp n GLY 45 Ca 0.26 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.98 2edp n GLY 45 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2edp s GLY 46 N -1.74 1.48 0.08 -0.02 0.00 -0.72 -4.45 107.32 101.95 2edp s GLY 46 Ca 0.00 -0.91 -0.28 0.00 0.00 0.00 0.00 44.72 43.53 2edp s GLY 46 CO 0.00 0.07 1.45 0.50 0.00 0.00 0.00 173.10 175.12 2edp h LYS 47 N -3.15 -0.60 -0.91 2.90 1.79 0.42 0.19 116.57 117.20 2edp h LYS 47 Ca -0.43 0.04 0.22 0.00 -2.18 0.00 0.00 60.65 58.30 2edp h LYS 47 Cb 1.32 0.14 -0.17 0.00 -1.58 0.00 0.00 32.23 31.94 2edp h LYS 47 CO 0.29 -0.40 -0.07 0.00 -1.08 0.00 0.00 179.45 178.19 2edp h ALA 48 N -0.74 0.88 -0.06 3.86 0.00 -1.76 0.16 119.26 121.60 2edp h ALA 48 Ca -0.01 0.32 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 2edp h ALA 48 Cb 0.63 0.59 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 2edp h ALA 48 CO -0.23 -0.47 0.01 0.00 0.00 0.00 0.00 179.25 178.57 2edp h ALA 49 N 1.89 0.07 -0.83 0.00 0.00 -1.59 -3.01 119.26 115.80 2edp h ALA 49 Ca 0.50 -0.13 0.19 0.00 0.00 0.00 0.00 54.91 55.47 2edp h ALA 49 Cb 0.91 -0.02 -0.12 0.00 0.00 0.00 0.00 17.79 18.56 2edp h ALA 49 CO -0.87 -0.30 0.30 -0.07 0.00 0.00 0.00 179.25 178.31 2edp h LEU 50 N -0.13 0.20 -1.14 0.00 3.38 0.22 0.24 115.31 118.09 2edp h LEU 50 Ca 0.02 0.15 0.11 0.00 0.09 0.00 0.00 57.88 58.24 2edp h LEU 50 Cb 0.24 0.15 -0.07 0.00 0.09 0.00 0.00 40.66 41.08 2edp h LEU 50 CO 0.00 -0.00 0.60 -1.28 0.09 0.00 0.00 178.44 177.85 2edp h SER 51 N 0.36 0.84 -2.98 -0.43 0.87 -1.07 -3.45 113.55 107.68 2edp h SER 51 Ca 0.49 0.03 -0.42 0.00 -1.23 0.00 0.00 61.79 60.66 2edp h SER 51 Cb 0.89 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.68 2edp h SER 51 CO -0.51 0.48 -0.54 0.00 -0.53 0.00 0.00 176.83 175.73 2edp n GLN 52 N -4.56 -1.68 -0.02 2.24 6.02 0.85 -4.85 117.38 115.38 2edp n GLN 52 Ca 0.17 1.02 0.05 0.00 -0.01 0.00 0.00 57.00 58.22 2edp n GLN 52 Cb 0.33 -5.69 -0.12 0.00 1.02 0.00 0.00 30.24 25.78 2edp n GLN 52 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2edp n LYS 53 N -3.01 0.72 -4.43 -1.09 4.76 -1.26 -5.02 118.16 108.83 2edp n LYS 53 Ca -0.25 -0.11 -0.21 0.00 -2.87 0.00 0.00 58.31 54.87 2edp n LYS 53 Cb 0.69 -1.37 -0.10 0.00 -1.84 0.00 0.00 35.03 32.41 2edp n LYS 53 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2edp s MET 54 N -2.92 1.62 -0.21 1.97 0.23 -1.26 -4.96 119.30 113.77 2edp s MET 54 Ca -0.06 -1.90 -0.30 0.00 -1.03 0.00 0.00 55.69 52.39 2edp s MET 54 Cb 0.09 -0.72 0.15 0.00 -1.53 0.00 0.00 34.83 32.82 2edp s MET 54 CO 0.63 -0.23 1.17 0.50 -2.03 0.00 0.00 175.02 175.05 2edp s ARG 55 N -3.91 0.35 -0.72 3.16 3.52 -1.26 -4.91 118.95 115.19 2edp s ARG 55 Ca 0.36 0.04 -0.37 0.00 -0.13 0.00 0.00 55.73 55.62 2edp s ARG 55 Cb 0.08 0.16 -0.20 0.00 -1.56 0.00 0.00 34.95 33.44 2edp s ARG 55 CO 0.15 -0.12 2.40 0.25 -0.81 0.00 0.00 175.30 177.17 2edp n THR 56 N 0.49 0.01 0.00 4.11 -2.24 -1.26 -1.51 114.28 113.87 2edp n THR 56 Ca -0.05 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 2edp n THR 56 Cb 0.58 -0.61 0.00 0.00 -2.10 0.00 0.00 70.33 68.21 2edp n THR 56 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2edp n GLY 57 N 6.97 1.03 3.82 3.38 0.00 -1.22 -4.99 105.19 114.18 2edp n GLY 57 Ca 0.59 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.29 2edp n GLY 57 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2edp s ASP 58 N -0.12 5.78 -0.37 1.61 1.01 -0.57 -4.81 116.67 119.20 2edp s ASP 58 Ca 0.00 1.65 -0.08 0.00 0.71 0.00 0.00 52.55 54.83 2edp s ASP 58 Cb 0.00 -2.51 0.05 0.00 1.01 0.00 0.00 42.92 41.47 2edp s ASP 58 CO 0.00 -1.17 0.17 -0.70 0.21 0.00 0.00 175.17 173.68 2edp s GLU 59 N -4.63 2.66 -0.38 8.23 2.12 -1.23 -1.88 118.70 123.59 2edp s GLU 59 Ca 0.59 -1.22 -0.19 0.00 0.36 0.00 0.00 54.97 54.51 2edp s GLU 59 Cb -0.14 -3.61 0.01 0.00 0.26 0.00 0.00 34.13 30.65 2edp s GLU 59 CO 0.46 -0.75 0.58 -1.17 -0.54 0.00 0.00 175.26 173.84 2edp s LEU 60 N 1.45 4.40 -0.02 2.70 0.20 -1.21 -2.10 118.68 124.10 2edp s LEU 60 Ca 0.01 -0.11 0.09 0.00 0.69 0.00 0.00 54.13 54.81 2edp s LEU 60 Cb -0.20 -2.67 -0.14 0.00 -0.43 0.00 0.00 46.19 42.75 2edp s LEU 60 CO 0.04 -0.60 0.18 1.33 -0.29 0.00 0.00 176.35 177.01 2edp n VAL 61 N 5.59 0.07 -4.08 1.68 0.24 -1.23 -4.89 118.33 115.71 2edp n VAL 61 Ca -0.03 -0.23 -0.32 0.00 -2.04 0.00 0.00 64.34 61.72 2edp n VAL 61 Cb 0.48 0.17 -0.16 0.00 -1.47 0.00 0.00 33.84 32.87 2edp n VAL 61 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 2edp s ASN 62 N -3.18 3.29 -0.16 -1.34 3.84 -1.25 -0.55 114.94 115.60 2edp s ASN 62 Ca -0.03 -0.76 0.01 0.00 0.21 0.00 0.00 52.86 52.28 2edp s ASN 62 Cb 0.06 -1.41 0.01 0.00 -0.55 0.00 0.00 41.25 39.35 2edp s ASN 62 CO 0.38 -0.05 -0.19 -0.63 -2.79 0.00 0.00 177.10 173.82 2edp s ILE 63 N 1.31 2.32 -1.38 -5.21 1.01 -0.75 -1.91 121.20 116.58 2edp s ILE 63 Ca 0.02 -0.88 -0.03 0.00 0.00 0.00 0.00 60.65 59.76 2edp s ILE 63 Cb -0.14 -1.96 0.02 0.00 0.01 0.00 0.00 42.46 40.38 2edp s ILE 63 CO -0.11 0.53 0.28 0.59 0.00 0.00 0.00 174.94 176.23 2edp n ASN 64 N 4.19 -4.85 0.00 3.58 3.02 0.54 0.19 115.26 121.93 2edp n ASN 64 Ca -0.20 -0.11 0.00 0.00 -0.03 0.00 0.00 54.58 54.24 2edp n ASN 64 Cb 0.51 -4.01 0.00 0.00 -0.61 0.00 0.00 39.78 35.67 2edp n ASN 64 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2edp n GLY 65 N -1.12 0.63 3.45 7.41 0.00 -1.15 -4.86 105.19 109.54 2edp n GLY 65 Ca -0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.46 2edp n GLY 65 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2edp s THR 66 N -2.49 5.22 -0.34 2.61 2.01 0.13 -5.04 115.64 117.75 2edp s THR 66 Ca 0.00 -0.72 -0.29 0.00 0.31 0.00 0.00 61.69 61.00 2edp s THR 66 Cb 0.00 -3.94 -0.01 0.00 0.01 0.00 0.00 72.50 68.56 2edp s THR 66 CO 0.00 -0.34 1.69 -2.16 -0.69 0.00 0.00 174.62 173.12 2edp s PRO 67 N 1.67 3.44 0.57 4.92 0.04 -1.26 -1.81 135.00 142.57 2edp s PRO 67 Ca 0.05 1.34 -0.07 0.00 0.04 0.00 0.00 61.00 62.35 2edp s PRO 67 Cb -0.20 -4.14 0.13 0.00 0.04 0.00 0.00 34.50 30.33 2edp s PRO 67 CO 0.09 -1.73 0.77 1.28 0.04 0.00 0.00 177.00 177.46 2edp n LEU 68 N 9.74 0.00 0.00 -3.56 4.77 0.29 -5.02 117.00 123.22 2edp n LEU 68 Ca 0.21 -1.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.14 2edp n LEU 68 Cb 0.47 -0.57 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 2edp n LEU 68 CO 0.69 -1.01 -0.35 -1.22 -1.33 0.00 0.00 177.39 174.17 2edp n TYR 69 N -2.89 0.00 0.00 -1.77 4.01 -1.26 -4.96 117.16 110.29 2edp n TYR 69 Ca 0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.84 2edp n TYR 69 Cb 0.37 0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.42 2edp n TYR 69 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2edp n GLY 70 N 2.85 0.23 3.20 2.72 0.00 -1.26 -5.04 105.19 107.90 2edp n GLY 70 Ca 0.00 -0.01 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 2edp n GLY 70 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2edp n SER 71 N 0.00 -3.60 -0.10 1.61 3.41 -1.26 -2.84 113.62 110.84 2edp n SER 71 Ca 0.00 0.17 -0.20 0.00 -0.26 0.00 0.00 58.87 58.58 2edp n SER 71 Cb 0.00 -0.93 -0.07 0.00 -0.26 0.00 0.00 64.21 62.95 2edp n SER 71 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 2edp n ARG 72 N 0.18 0.42 0.00 4.33 0.63 -1.26 -4.51 116.66 116.45 2edp n ARG 72 Ca 0.02 0.19 0.00 0.00 -0.92 0.00 0.00 57.85 57.13 2edp n ARG 72 Cb 0.58 -1.22 0.00 0.00 0.45 0.00 0.00 32.46 32.28 2edp n ARG 72 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 2edp n GLN 73 N -3.95 0.00 -0.24 -0.14 3.00 -1.26 -0.93 117.38 113.86 2edp n GLN 73 Ca -0.36 0.73 0.22 0.00 -0.01 0.00 0.00 57.00 57.58 2edp n GLN 73 Cb 0.74 -1.38 0.41 0.00 0.00 0.00 0.00 30.24 30.01 2edp n GLN 73 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.06 175.15 2edp n GLU 74 N -2.27 -0.05 0.00 -1.09 4.07 -1.26 -0.28 120.64 119.76 2edp n GLU 74 Ca 0.00 1.02 0.00 0.00 -0.06 0.00 0.00 57.16 58.12 2edp n GLU 74 Cb 0.00 -1.82 0.00 0.00 -0.06 0.00 0.00 31.44 29.56 2edp n GLU 74 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2edp n ALA 75 N -2.53 -0.26 -0.25 4.31 0.00 -0.11 -1.23 120.51 120.44 2edp n ALA 75 Ca 0.27 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.75 2edp n ALA 75 Cb 0.91 0.00 0.14 0.00 0.00 0.00 0.00 19.45 20.51 2edp n ALA 75 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2edp h LEU 76 N 0.00 -0.37 -0.79 0.00 3.38 -0.20 0.19 115.31 117.52 2edp h LEU 76 Ca 0.00 0.19 0.11 0.00 0.09 0.00 0.00 57.88 58.27 2edp h LEU 76 Cb 0.00 0.35 -0.08 0.00 0.09 0.00 0.00 40.66 41.02 2edp h LEU 76 CO 0.00 -0.18 0.41 0.40 0.09 0.00 0.00 178.44 179.17 2edp h ILE 77 N 0.09 0.82 -0.95 1.22 2.04 -0.71 -0.52 117.51 119.51 2edp h ILE 77 Ca 0.39 -0.23 0.14 0.00 1.00 0.00 0.00 64.86 66.17 2edp h ILE 77 Cb 0.68 0.10 -0.08 0.00 -0.74 0.00 0.00 36.82 36.78 2edp h ILE 77 CO -0.65 0.12 0.60 0.25 0.00 0.00 0.00 178.15 178.47 2edp h LEU 78 N 0.66 0.76 0.02 1.44 5.85 0.83 -2.12 115.31 122.75 2edp h LEU 78 Ca 0.40 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 59.17 2edp h LEU 78 Cb 0.46 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.39 2edp h LEU 78 CO -0.29 0.38 -0.01 0.40 -0.34 0.00 0.00 178.44 178.57 2edp h ILE 79 N 0.80 1.27 -0.69 4.05 2.04 -0.89 -3.20 117.51 120.89 2edp h ILE 79 Ca 0.48 -0.93 0.17 0.00 1.00 0.00 0.00 64.86 65.58 2edp h ILE 79 Cb 0.67 1.89 -0.13 0.00 -0.74 0.00 0.00 36.82 38.51 2edp h ILE 79 CO -0.25 0.24 -0.07 0.29 0.00 0.00 0.00 178.15 178.37 2edp n LYS 80 N -4.91 -0.06 -1.64 2.37 5.02 -0.80 0.20 118.16 118.34 2edp n LYS 80 Ca -0.08 1.04 -0.37 0.00 -2.02 0.00 0.00 58.31 56.88 2edp n LYS 80 Cb 0.22 -1.62 0.06 0.00 -0.02 0.00 0.00 35.03 33.67 2edp n LYS 80 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2edp n GLY 81 N -1.38 5.71 1.77 0.72 0.00 -1.21 -5.00 105.19 105.79 2edp n GLY 81 Ca 0.14 -2.40 -0.16 0.00 0.00 0.00 0.00 46.02 43.60 2edp n GLY 81 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2edp n SER 82 N -0.73 -2.13 -2.70 1.61 3.41 0.53 -5.06 113.62 108.55 2edp n SER 82 Ca 0.58 -0.71 -0.13 0.00 -0.26 0.00 0.00 58.87 58.35 2edp n SER 82 Cb 0.45 -0.52 -0.04 0.00 -0.26 0.00 0.00 64.21 63.84 2edp n SER 82 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2edp n PHE 83 N -4.00 0.05 -0.32 7.33 3.72 -1.26 -4.99 117.46 118.00 2edp n PHE 83 Ca 0.08 -1.38 0.15 0.00 -0.05 0.00 0.00 57.45 56.25 2edp n PHE 83 Cb 0.31 0.00 0.34 0.00 -0.94 0.00 0.00 39.48 39.19 2edp n PHE 83 CO 0.00 0.00 0.00 0.07 -0.05 0.00 0.00 176.76 176.78 2edp h ARG 84 N 0.00 0.41 -5.39 -1.08 0.11 -1.96 -3.39 114.38 103.08 2edp h ARG 84 Ca -0.16 -0.02 -0.63 0.00 0.10 0.00 0.00 59.98 59.26 2edp h ARG 84 Cb 0.64 -0.09 -0.32 0.00 1.11 0.00 0.00 29.97 31.30 2edp h ARG 84 CO 0.26 0.27 -0.86 0.42 0.10 0.00 0.00 179.97 180.16 2edp s ILE 85 N -5.85 1.75 -0.09 0.08 1.01 -1.26 -0.26 121.20 116.58 2edp s ILE 85 Ca -0.11 -0.87 -0.04 0.00 0.00 0.00 0.00 60.65 59.63 2edp s ILE 85 Cb 0.26 -1.51 -0.04 0.00 0.01 0.00 0.00 42.46 41.18 2edp s ILE 85 CO 0.78 0.49 0.05 -0.22 0.00 0.00 0.00 174.94 176.05 2edp s LEU 86 N 0.18 3.87 -0.19 2.97 2.96 -1.23 -4.91 118.68 122.33 2edp s LEU 86 Ca -0.10 0.26 0.01 0.00 -0.22 0.00 0.00 54.13 54.07 2edp s LEU 86 Cb -0.15 -1.92 0.04 0.00 0.50 0.00 0.00 46.19 44.66 2edp s LEU 86 CO 0.05 0.39 -0.11 -0.54 -1.32 0.00 0.00 176.35 174.82 2edp s LYS 87 N -0.97 2.05 -0.03 1.98 3.01 -1.26 0.04 119.74 124.57 2edp s LYS 87 Ca 0.14 -0.81 0.03 0.00 -1.01 0.00 0.00 55.97 54.32 2edp s LYS 87 Cb -0.12 -2.37 0.00 0.00 -1.01 0.00 0.00 37.83 34.33 2edp s LYS 87 CO 0.03 -0.41 -0.10 -0.51 0.51 0.00 0.00 175.35 174.88 2edp s LEU 88 N 1.41 1.78 -0.37 3.17 1.43 -1.09 0.20 118.68 125.21 2edp s LEU 88 Ca -0.01 -0.21 -0.02 0.00 -1.03 0.00 0.00 54.13 52.87 2edp s LEU 88 Cb -0.16 -0.60 0.09 0.00 0.03 0.00 0.00 46.19 45.56 2edp s LEU 88 CO -0.08 0.07 0.13 -0.63 0.23 0.00 0.00 176.35 176.07 2edp s ILE 89 N 0.22 3.09 -0.04 -0.59 1.09 -0.80 0.99 121.20 125.15 2edp s ILE 89 Ca -0.04 -1.92 -0.02 0.00 -1.10 0.00 0.00 60.65 57.57 2edp s ILE 89 Cb -0.09 -3.05 -0.04 0.00 -1.06 0.00 0.00 42.46 38.22 2edp s ILE 89 CO 0.01 -0.53 0.09 0.68 -0.10 0.00 0.00 174.94 175.08 2edp s VAL 90 N 1.14 4.87 -0.18 2.92 -7.23 -1.22 -3.51 120.40 117.19 2edp s VAL 90 Ca 0.05 -0.23 -0.05 0.00 -1.81 0.00 0.00 61.98 59.93 2edp s VAL 90 Cb -0.21 -3.18 -0.03 0.00 0.56 0.00 0.00 36.38 33.51 2edp s VAL 90 CO -0.04 0.45 0.01 0.00 -0.31 0.00 0.00 175.10 175.21 2edp s ARG 91 N -1.46 3.77 -0.03 4.82 1.70 -0.89 -2.29 118.95 124.57 2edp s ARG 91 Ca 0.20 -0.46 0.03 0.00 -0.47 0.00 0.00 55.73 55.04 2edp s ARG 91 Cb -0.12 -3.06 -0.03 0.00 -0.57 0.00 0.00 34.95 31.17 2edp s ARG 91 CO 0.10 0.20 -0.11 -0.98 -1.08 0.00 0.00 175.30 173.43 2edp s ARG 92 N 0.52 2.50 -0.30 3.89 1.70 0.12 -3.54 118.95 123.84 2edp s ARG 92 Ca -0.00 -0.71 -0.10 0.00 -0.47 0.00 0.00 55.73 54.44 2edp s ARG 92 Cb -0.14 -2.43 -0.02 0.00 -0.57 0.00 0.00 34.95 31.80 2edp s ARG 92 CO 0.02 0.62 0.16 0.50 -1.08 0.00 0.00 175.30 175.52 2edp s ARG 93 N -1.02 3.52 -0.40 3.89 3.52 -1.26 -1.64 118.95 125.55 2edp s ARG 93 Ca 0.14 -0.60 -0.34 0.00 -0.13 0.00 0.00 55.73 54.79 2edp s ARG 93 Cb -0.11 -3.59 -0.15 0.00 -1.56 0.00 0.00 34.95 29.54 2edp s ARG 93 CO 0.03 -0.35 1.70 0.09 -0.81 0.00 0.00 175.30 175.96 2edp n ASN 94 N 5.01 0.58 -3.66 -2.12 4.13 -1.18 -4.88 115.26 113.15 2edp n ASN 94 Ca -0.14 0.52 -0.14 0.00 1.68 0.00 0.00 54.58 56.50 2edp n ASN 94 Cb 0.50 -0.71 -0.08 0.00 -1.54 0.00 0.00 39.78 37.95 2edp n ASN 94 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 2edp s SER 95 N 4.79 -0.65 0.29 6.41 0.15 -1.26 -4.95 113.70 118.49 2edp s SER 95 Ca 0.95 1.22 0.09 0.00 0.70 0.00 0.00 55.95 58.90 2edp s SER 95 Cb -1.17 1.23 -0.04 0.00 -1.71 0.00 0.00 66.02 64.32 2edp s SER 95 CO 0.51 -0.24 0.03 -0.83 1.20 0.00 0.00 173.24 173.92 2edp s GLY 96 N 0.23 1.78 0.00 9.45 0.00 -1.26 -5.01 107.32 112.51 2edp s GLY 96 Ca -0.01 -1.74 0.15 0.00 0.00 0.00 0.00 44.72 43.12 2edp s GLY 96 CO 0.01 -1.75 1.40 -1.55 0.00 0.00 0.00 173.10 171.21 2edp n PRO 97 N -0.96 0.22 -0.93 2.90 -0.04 -1.26 -4.88 135.00 130.04 2edp n PRO 97 Ca -0.05 0.14 -0.30 0.00 -0.04 0.00 0.00 63.50 63.25 2edp n PRO 97 Cb 0.60 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.57 2edp n PRO 97 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2edp n SER 98 N -1.28 -3.12 -4.62 3.54 7.64 -1.26 -4.81 113.62 109.71 2edp n SER 98 Ca 0.07 0.45 -0.42 0.00 1.01 0.00 0.00 58.87 59.97 2edp n SER 98 Cb 0.12 -0.64 -0.04 0.00 -1.01 0.00 0.00 64.21 62.64 2edp n SER 98 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2edp s SER 99 N -0.77 6.75 0.00 6.43 0.01 -1.26 -5.26 113.70 119.59 2edp s SER 99 Ca 0.42 0.75 0.00 0.00 1.31 0.00 0.00 55.95 58.43 2edp s SER 99 Cb -0.34 -2.46 0.00 0.00 0.21 0.00 0.00 66.02 63.42 2edp s SER 99 CO 0.53 -0.76 0.00 0.61 0.41 0.00 0.00 173.24 174.03