#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2edp n SER 2 N 0.00 3.64 -4.98 1.61 2.88 -1.26 -4.98 113.62 110.54 2edp n SER 2 Ca 0.00 0.99 -0.21 0.00 -1.33 0.00 0.00 58.87 58.32 2edp n SER 2 Cb 0.00 -1.45 0.03 0.00 -0.75 0.00 0.00 64.21 62.05 2edp n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2edp s SER 3 N 3.17 5.32 0.00 -3.46 1.04 -1.26 -5.10 113.70 113.41 2edp s SER 3 Ca 0.87 -0.04 0.00 0.00 0.48 0.00 0.00 55.95 57.26 2edp s SER 3 Cb -0.60 -0.87 0.00 0.00 0.10 0.00 0.00 66.02 64.65 2edp s SER 3 CO 0.44 -1.10 0.00 0.61 0.98 0.00 0.00 173.24 174.17 2edp n GLY 4 N -2.29 -0.15 0.09 7.32 0.00 -1.26 -4.86 105.19 104.04 2edp n GLY 4 Ca 0.08 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.08 2edp n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2edp h SER 5 N 0.00 -0.10 -1.50 1.61 0.87 -1.99 -3.47 113.55 108.98 2edp h SER 5 Ca 0.00 0.00 -0.45 0.00 -1.23 0.00 0.00 61.79 60.11 2edp h SER 5 Cb 0.00 0.03 0.14 0.00 -0.44 0.00 0.00 62.40 62.12 2edp h SER 5 CO 0.00 0.34 -0.88 -1.20 -0.53 0.00 0.00 176.83 174.56 2edp n SER 6 N -4.59 -2.79 -0.61 6.23 7.64 -1.26 -4.18 113.62 114.05 2edp n SER 6 Ca -0.01 0.49 0.00 0.00 1.01 0.00 0.00 58.87 60.35 2edp n SER 6 Cb 0.05 -0.64 0.00 0.00 -1.01 0.00 0.00 64.21 62.61 2edp n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2edp n GLY 7 N 1.90 0.54 0.00 0.23 0.00 -1.26 -4.79 105.19 101.81 2edp n GLY 7 Ca 0.06 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.76 2edp n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2edp n GLY 8 N -0.61 1.97 0.95 -0.02 0.00 -1.26 -5.06 105.19 101.15 2edp n GLY 8 Ca 0.00 -0.59 0.03 0.00 0.00 0.00 0.00 46.02 45.46 2edp n GLY 8 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2edp n SER 9 N 0.00 1.88 -4.83 1.61 7.64 -1.26 -5.04 113.62 113.62 2edp n SER 9 Ca 0.00 -3.51 -0.31 0.00 1.01 0.00 0.00 58.87 56.06 2edp n SER 9 Cb 0.00 -0.47 0.03 0.00 -1.01 0.00 0.00 64.21 62.76 2edp n SER 9 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2edp s PHE 10 N -2.71 3.26 -0.14 1.43 0.40 -1.26 -3.68 117.98 115.28 2edp s PHE 10 Ca 0.38 1.40 -0.01 0.00 -0.60 0.00 0.00 56.93 58.10 2edp s PHE 10 Cb 0.38 -2.84 0.04 0.00 0.51 0.00 0.00 43.02 41.10 2edp s PHE 10 CO -0.08 -1.03 -0.03 -1.14 0.70 0.00 0.00 175.22 173.64 2edp s GLN 11 N -4.94 1.14 -0.30 0.44 0.74 -1.25 -4.94 119.66 110.55 2edp s GLN 11 Ca 0.58 -0.30 -0.17 0.00 0.05 0.00 0.00 55.36 55.52 2edp s GLN 11 Cb -0.13 -1.69 -0.02 0.00 1.10 0.00 0.00 33.01 32.27 2edp s GLN 11 CO 0.52 -0.40 0.47 0.71 -0.55 0.00 0.00 175.29 176.04 2edp s TYR 12 N 1.76 3.23 -0.60 1.67 1.51 -1.26 -1.74 117.35 121.93 2edp s TYR 12 Ca 0.02 0.38 -0.12 0.00 -1.01 0.00 0.00 57.07 56.34 2edp s TYR 12 Cb -0.14 -2.75 0.15 0.00 -0.11 0.00 0.00 41.96 39.11 2edp s TYR 12 CO -0.07 -0.37 0.52 0.08 -1.11 0.00 0.00 175.55 174.60 2edp s VAL 13 N 2.26 4.88 -1.10 0.71 1.01 0.72 -4.88 120.40 124.01 2edp s VAL 13 Ca 0.18 -1.95 -0.23 0.00 0.00 0.00 0.00 61.98 59.98 2edp s VAL 13 Cb -0.16 -4.12 -0.08 0.00 0.00 0.00 0.00 36.38 32.02 2edp s VAL 13 CO 0.11 -0.88 1.94 -2.16 0.00 0.00 0.00 175.10 174.11 2edp s PRO 14 N 1.03 2.51 -0.62 2.72 0.04 -1.25 -2.96 135.00 136.46 2edp s PRO 14 Ca 0.09 -0.91 -0.26 0.00 0.04 0.00 0.00 61.00 59.95 2edp s PRO 14 Cb -0.23 -5.19 -0.03 0.00 0.04 0.00 0.00 34.50 29.09 2edp s PRO 14 CO -0.02 -3.82 1.93 0.08 0.04 0.00 0.00 177.00 175.21 2edp s VAL 15 N 10.79 3.32 -0.57 -0.36 1.01 0.26 -4.77 120.40 130.08 2edp s VAL 15 Ca 0.69 0.14 -0.19 0.00 0.00 0.00 0.00 61.98 62.62 2edp s VAL 15 Cb -0.02 -3.85 0.09 0.00 0.00 0.00 0.00 36.38 32.60 2edp s VAL 15 CO 0.09 -0.82 0.68 -1.58 0.00 0.00 0.00 175.10 173.47 2edp s GLN 16 N 7.18 3.07 0.88 2.72 0.74 -1.26 -2.08 119.66 130.91 2edp s GLN 16 Ca 0.71 -1.19 -0.13 0.00 0.05 0.00 0.00 55.36 54.79 2edp s GLN 16 Cb -0.13 -4.22 0.12 0.00 1.10 0.00 0.00 33.01 29.89 2edp s GLN 16 CO 0.20 -1.44 1.17 -0.51 -0.55 0.00 0.00 175.29 174.16 2edp s LEU 17 N 2.66 2.23 -0.18 3.68 1.43 0.20 -4.89 118.68 123.81 2edp s LEU 17 Ca 0.12 0.82 -0.16 0.00 -1.03 0.00 0.00 54.13 53.88 2edp s LEU 17 Cb -0.23 -3.17 0.05 0.00 0.03 0.00 0.00 46.19 42.87 2edp s LEU 17 CO 0.08 -2.34 0.48 -1.10 0.23 0.00 0.00 176.35 173.69 2edp s GLN 18 N -5.46 0.55 0.00 1.70 -0.21 -1.26 -3.01 119.66 111.97 2edp s GLN 18 Ca 0.64 0.69 0.00 0.00 0.02 0.00 0.00 55.36 56.71 2edp s GLN 18 Cb -0.12 0.25 0.00 0.00 1.00 0.00 0.00 33.01 34.13 2edp s GLN 18 CO 0.52 -0.08 0.00 0.41 -2.12 0.00 0.00 175.29 174.02 2edp n GLY 19 N 2.98 3.17 0.00 3.09 0.00 -0.86 -5.01 105.19 108.56 2edp n GLY 19 Ca -0.14 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.76 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 1.73 2.66 -0.02 0.00 0.36 -4.83 105.19 105.09 2edp n GLY 20 Ca 0.00 -1.60 -0.32 0.00 0.00 0.00 0.00 46.02 44.10 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 1.74 -3.54 -1.42 4.61 0.00 -1.26 -4.68 120.51 115.96 2edp n ALA 21 Ca 0.00 -0.21 -0.32 0.00 0.00 0.00 0.00 53.44 52.91 2edp n ALA 21 Cb 0.00 -1.11 0.06 0.00 0.00 0.00 0.00 19.45 18.41 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 -1.11 2.60 -0.18 0.00 0.04 -1.26 -5.09 135.00 130.00 2edp s PRO 22 Ca 0.43 1.31 -0.07 0.00 0.04 0.00 0.00 61.00 62.71 2edp s PRO 22 Cb -0.33 -1.93 -0.08 0.00 0.04 0.00 0.00 34.50 32.19 2edp s PRO 22 CO 0.60 -1.39 -0.21 0.91 0.04 0.00 0.00 177.00 176.95 2edp n TRP 23 N -2.82 0.00 -0.28 0.56 7.02 -1.26 -4.60 117.44 116.05 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 -0.64 0.00 0.00 -2.42 0.00 0.00 31.31 28.77 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 2.08 0.78 3.35 6.99 0.00 -1.26 0.14 105.19 117.27 2edp n GLY 24 Ca -0.34 -0.07 -0.12 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.75 -0.60 0.36 1.61 -0.12 -1.26 0.48 117.98 116.71 2edp s PHE 25 Ca 0.00 1.35 0.03 0.00 -0.05 0.00 0.00 56.93 58.26 2edp s PHE 25 Cb 0.00 0.25 -0.04 0.00 -0.63 0.00 0.00 43.02 42.61 2edp s PHE 25 CO 0.00 -0.31 0.11 0.95 -0.05 0.00 0.00 175.22 175.92 2edp s THR 26 N 0.84 0.73 0.27 -4.49 -4.23 0.12 -4.99 115.64 103.90 2edp s THR 26 Ca -0.05 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.49 2edp s THR 26 Cb -0.06 -2.51 -0.06 0.00 1.34 0.00 0.00 72.50 71.22 2edp s THR 26 CO -0.07 0.00 0.05 -0.76 -0.54 0.00 0.00 174.62 173.30 2edp s LEU 27 N -3.53 2.01 0.31 4.79 1.43 -1.26 -0.49 118.68 121.93 2edp s LEU 27 Ca 0.29 -1.33 0.05 0.00 -1.03 0.00 0.00 54.13 52.11 2edp s LEU 27 Cb 0.05 -0.22 -0.03 0.00 0.03 0.00 0.00 46.19 46.02 2edp s LEU 27 CO 0.15 -0.62 0.23 -1.59 0.23 0.00 0.00 176.35 174.75 2edp s LYS 28 N -3.93 1.64 3.21 1.70 -2.85 -0.43 -4.51 119.74 114.57 2edp s LYS 28 Ca 0.34 -1.94 0.00 0.00 -1.00 0.00 0.00 55.97 53.37 2edp s LYS 28 Cb 0.07 0.21 0.00 0.00 -2.06 0.00 0.00 37.83 36.05 2edp s LYS 28 CO 0.13 -0.57 0.00 0.41 0.10 0.00 0.00 175.35 175.42 2edp n GLY 29 N -0.57 1.67 0.00 0.59 0.00 -1.26 -3.23 105.19 102.39 2edp n GLY 29 Ca 0.05 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 2.05 0.42 -0.02 0.00 0.62 -4.70 105.19 103.57 2edp n GLY 30 Ca 0.00 -2.08 0.30 0.00 0.00 0.00 0.00 46.02 44.24 2edp n GLY 30 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2edp h LEU 31 N 0.00 0.35 -0.88 0.99 5.85 -1.60 0.31 115.31 120.33 2edp h LEU 31 Ca 0.00 0.14 0.24 0.00 0.84 0.00 0.00 57.88 59.10 2edp h LEU 31 Cb 0.00 0.11 -0.14 0.00 0.37 0.00 0.00 40.66 40.99 2edp h LEU 31 CO 0.00 -0.12 0.24 -0.33 -0.34 0.00 0.00 178.44 177.90 2edp h GLU 32 N 0.21 0.20 -0.58 1.25 4.39 -1.84 -1.12 114.58 117.09 2edp h GLU 32 Ca 0.75 -0.01 -0.42 0.00 0.34 0.00 0.00 59.36 60.01 2edp h GLU 32 Cb 2.10 -0.05 -0.36 0.00 -0.10 0.00 0.00 28.75 30.34 2edp h GLU 32 CO -0.44 0.13 -0.82 0.72 -1.16 0.00 0.00 179.01 177.44 2edp n HIS 33 N -5.22 2.09 -4.35 4.33 8.25 0.94 -4.96 115.22 116.29 2edp n HIS 33 Ca 0.22 -2.06 -0.36 0.00 -0.26 0.00 0.00 57.72 55.25 2edp n HIS 33 Cb 0.69 -0.31 -0.08 0.00 1.12 0.00 0.00 29.99 31.41 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 -7.09 1.47 -0.80 0.00 0.41 -0.38 -4.91 118.70 107.41 2edp s GLU 35 Ca 0.47 -1.46 -0.25 0.00 -0.41 0.00 0.00 54.97 53.31 2edp s GLU 35 Cb -0.27 -1.86 -0.04 0.00 -1.78 0.00 0.00 34.13 30.18 2edp s GLU 35 CO 0.98 0.42 1.92 -1.25 -0.49 0.00 0.00 175.26 176.83 2edp s PRO 36 N -2.45 2.58 -0.83 0.39 0.04 -1.26 -0.28 135.00 133.19 2edp s PRO 36 Ca 0.18 0.04 -0.26 0.00 0.04 0.00 0.00 61.00 61.00 2edp s PRO 36 Cb -0.09 -4.82 -0.18 0.00 0.04 0.00 0.00 34.50 29.45 2edp s PRO 36 CO 0.08 -3.15 2.51 -0.11 0.04 0.00 0.00 177.00 176.38 2edp n LEU 37 N 13.55 0.79 -4.19 -3.56 7.94 -1.26 -4.57 117.00 125.70 2edp n LEU 37 Ca 0.33 -0.28 -0.13 0.00 -1.11 0.00 0.00 56.01 54.82 2edp n LEU 37 Cb 0.49 -1.13 -0.10 0.00 0.53 0.00 0.00 43.42 43.20 2edp n LEU 37 CO 0.64 -1.25 -0.40 0.42 -1.11 0.00 0.00 177.39 175.68 2edp s THR 38 N 9.27 0.90 0.20 1.96 -4.23 -1.20 -3.60 115.64 118.94 2edp s THR 38 Ca 1.20 -1.87 -0.30 0.00 -1.18 0.00 0.00 61.69 59.55 2edp s THR 38 Cb -0.77 -1.61 -0.16 0.00 1.34 0.00 0.00 72.50 71.29 2edp s THR 38 CO 0.40 -0.74 0.77 0.52 -0.54 0.00 0.00 174.62 175.03 2edp n VAL 39 N 0.12 1.67 -0.06 2.29 0.31 -0.38 -1.31 118.33 120.96 2edp n VAL 39 Ca -0.13 -0.42 -0.10 0.00 -0.01 0.00 0.00 64.34 63.68 2edp n VAL 39 Cb 0.60 -0.34 -0.05 0.00 -0.91 0.00 0.00 33.84 33.14 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 1.77 2.48 -3.68 4.52 3.41 0.36 -3.14 113.62 119.34 2edp n SER 40 Ca 0.16 -0.01 -0.15 0.00 -0.26 0.00 0.00 58.87 58.62 2edp n SER 40 Cb 0.25 -0.25 -0.08 0.00 -0.26 0.00 0.00 64.21 63.87 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 -2.24 0.76 -0.21 4.33 2.36 -1.23 -4.94 119.74 118.57 2edp s LYS 41 Ca -0.17 0.13 -0.04 0.00 -2.55 0.00 0.00 55.97 53.34 2edp s LYS 41 Cb 0.05 0.35 0.07 0.00 -1.05 0.00 0.00 37.83 37.25 2edp s LYS 41 CO 0.27 -0.20 0.08 0.42 1.55 0.00 0.00 175.35 177.47 2edp s ILE 42 N -0.93 0.14 -0.49 5.43 1.01 -1.26 0.15 121.20 125.25 2edp s ILE 42 Ca -0.10 -0.45 -0.44 0.00 0.00 0.00 0.00 60.65 59.66 2edp s ILE 42 Cb -0.03 -0.83 -0.19 0.00 0.01 0.00 0.00 42.46 41.42 2edp s ILE 42 CO 0.05 -0.36 2.00 -0.62 0.00 0.00 0.00 174.94 176.01 2edp n GLU 43 N 5.19 0.07 -0.45 2.79 1.02 0.18 -4.72 120.64 124.72 2edp n GLU 43 Ca -0.07 0.02 0.37 0.00 -0.02 0.00 0.00 57.16 57.46 2edp n GLU 43 Cb 0.47 -1.55 0.65 0.00 -0.02 0.00 0.00 31.44 30.99 2edp n GLU 43 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 2edp h ASP 44 N 8.08 0.23 -0.80 1.62 3.32 -1.99 0.49 116.42 127.38 2edp h ASP 44 Ca -0.20 0.12 -0.57 0.00 0.02 0.00 0.00 57.03 56.39 2edp h ASP 44 Cb 1.40 0.10 -0.41 0.00 0.22 0.00 0.00 39.33 40.65 2edp h ASP 44 CO 1.06 -0.14 -0.54 0.61 -1.72 0.00 0.00 179.24 178.51 2edp n GLY 45 N -1.55 6.32 3.63 2.75 0.00 -1.26 -4.55 105.19 110.52 2edp n GLY 45 Ca 0.36 -2.61 -0.25 0.00 0.00 0.00 0.00 46.02 43.52 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 -3.30 1.69 0.17 -0.02 0.00 0.17 -4.89 107.32 101.13 2edp s GLY 46 Ca 0.53 -1.55 -0.13 0.00 0.00 0.00 0.00 44.72 43.58 2edp s GLY 46 CO 0.03 -1.59 1.13 0.28 0.00 0.00 0.00 173.10 172.94 2edp n LYS 47 N -0.49 -0.17 -0.04 2.90 4.76 0.37 0.92 118.16 126.41 2edp n LYS 47 Ca -0.08 1.12 -0.08 0.00 -2.87 0.00 0.00 58.31 56.39 2edp n LYS 47 Cb 0.57 -1.66 -0.02 0.00 -1.84 0.00 0.00 35.03 32.09 2edp n LYS 47 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2edp h ALA 48 N 1.00 -0.09 0.41 7.82 0.00 -1.61 -1.24 119.26 125.54 2edp h ALA 48 Ca 0.25 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.22 2edp h ALA 48 Cb 0.43 0.45 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2edp h ALA 48 CO -0.72 -0.64 -0.19 0.00 0.00 0.00 0.00 179.25 177.69 2edp h ALA 49 N 0.84 -0.54 -0.85 0.00 0.00 0.39 -2.77 119.26 116.34 2edp h ALA 49 Ca 0.13 -0.13 0.21 0.00 0.00 0.00 0.00 54.91 55.12 2edp h ALA 49 Cb 0.42 0.21 -0.15 0.00 0.00 0.00 0.00 17.79 18.28 2edp h ALA 49 CO -0.36 -0.78 0.08 -0.07 0.00 0.00 0.00 179.25 178.13 2edp h LEU 50 N -0.59 -0.26 -0.88 0.00 3.38 -0.22 0.42 115.31 117.16 2edp h LEU 50 Ca -0.06 0.21 0.03 0.00 0.09 0.00 0.00 57.88 58.16 2edp h LEU 50 Cb 0.44 0.35 -0.05 0.00 0.09 0.00 0.00 40.66 41.49 2edp h LEU 50 CO 0.09 -0.21 0.57 -1.28 0.09 0.00 0.00 178.44 177.70 2edp h SER 51 N 0.12 0.94 -3.87 -0.43 0.87 -1.03 -3.46 113.55 106.69 2edp h SER 51 Ca 0.50 -0.01 -0.35 0.00 -1.23 0.00 0.00 61.79 60.70 2edp h SER 51 Cb 0.95 -0.21 0.05 0.00 -0.44 0.00 0.00 62.40 62.75 2edp h SER 51 CO -0.72 0.65 -0.52 0.00 -0.53 0.00 0.00 176.83 175.71 2edp n GLN 52 N -4.53 -4.18 -0.08 2.24 1.13 0.15 -4.89 117.38 107.21 2edp n GLN 52 Ca 0.11 0.79 -0.08 0.00 -1.94 0.00 0.00 57.00 55.88 2edp n GLN 52 Cb 0.09 -5.38 -0.11 0.00 0.11 0.00 0.00 30.24 24.96 2edp n GLN 52 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2edp n LYS 53 N -3.55 1.38 -4.29 -1.09 4.76 -1.26 -5.01 118.16 109.09 2edp n LYS 53 Ca -0.10 0.02 -0.22 0.00 -2.87 0.00 0.00 58.31 55.14 2edp n LYS 53 Cb 0.61 -1.36 -0.12 0.00 -1.84 0.00 0.00 35.03 32.32 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 -2.35 1.15 0.25 1.97 0.23 -1.26 -5.02 119.30 114.27 2edp s MET 54 Ca -0.11 -1.27 -0.06 0.00 -1.03 0.00 0.00 55.69 53.22 2edp s MET 54 Cb 0.05 -1.24 -0.02 0.00 -1.53 0.00 0.00 34.83 32.09 2edp s MET 54 CO 0.54 0.26 0.34 1.03 -2.03 0.00 0.00 175.02 175.17 2edp s ARG 55 N -2.42 1.50 -0.02 3.16 0.52 -1.26 -4.81 118.95 115.62 2edp s ARG 55 Ca 0.10 -1.51 -0.35 0.00 -0.52 0.00 0.00 55.73 53.45 2edp s ARG 55 Cb -0.07 0.39 -0.14 0.00 0.52 0.00 0.00 34.95 35.65 2edp s ARG 55 CO 0.05 -0.58 1.70 0.25 0.02 0.00 0.00 175.30 176.74 2edp n THR 56 N -0.39 0.29 0.00 0.02 -2.24 -1.26 -2.36 114.28 108.34 2edp n THR 56 Ca 0.01 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 2edp n THR 56 Cb 0.63 -1.54 0.00 0.00 -2.10 0.00 0.00 70.33 67.32 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 3.83 1.79 3.55 3.38 0.00 -1.19 -4.97 105.19 111.58 2edp n GLY 57 Ca 0.21 -0.46 -0.39 0.00 0.00 0.00 0.00 46.02 45.38 2edp n GLY 57 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2edp n ASP 58 N 0.00 0.08 -4.21 1.61 8.00 -0.99 -4.56 116.55 116.48 2edp n ASP 58 Ca 0.00 0.84 -0.41 0.00 0.71 0.00 0.00 54.79 55.93 2edp n ASP 58 Cb 0.00 -1.28 -0.04 0.00 -0.02 0.00 0.00 41.12 39.78 2edp n ASP 58 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2edp s GLU 59 N -2.26 3.49 0.03 -1.24 2.12 -1.26 -1.25 118.70 118.33 2edp s GLU 59 Ca 0.70 -3.00 -0.30 0.00 0.36 0.00 0.00 54.97 52.72 2edp s GLU 59 Cb -0.47 -4.18 -0.06 0.00 0.26 0.00 0.00 34.13 29.68 2edp s GLU 59 CO 0.53 -1.25 1.42 -1.17 -0.54 0.00 0.00 175.26 174.24 2edp s LEU 60 N -0.85 4.33 0.00 2.70 0.20 -1.24 -3.64 118.68 120.18 2edp s LEU 60 Ca 0.25 2.19 0.00 0.00 0.69 0.00 0.00 54.13 57.26 2edp s LEU 60 Cb -0.11 -3.57 0.00 0.00 -0.43 0.00 0.00 46.19 42.09 2edp s LEU 60 CO -0.09 -0.71 0.00 1.33 -0.29 0.00 0.00 176.35 176.59 2edp n VAL 61 N 4.49 0.00 -4.09 1.68 0.24 -1.23 -4.85 118.33 114.56 2edp n VAL 61 Ca 0.13 0.00 -0.35 0.00 -2.04 0.00 0.00 64.34 62.08 2edp n VAL 61 Cb 0.43 -0.75 -0.13 0.00 -1.47 0.00 0.00 33.84 31.92 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 -2.53 4.46 -0.07 -1.34 3.84 -1.25 -1.12 114.94 116.93 2edp s ASN 62 Ca 0.00 -0.31 0.02 0.00 0.21 0.00 0.00 52.86 52.78 2edp s ASN 62 Cb 0.00 -1.75 0.01 0.00 -0.55 0.00 0.00 41.25 38.96 2edp s ASN 62 CO 0.00 0.04 -0.14 -0.63 -2.79 0.00 0.00 177.10 173.58 2edp s ILE 63 N 1.13 1.26 -1.23 -5.21 1.01 -0.90 -1.92 121.20 115.34 2edp s ILE 63 Ca 0.02 -0.54 0.00 0.00 0.00 0.00 0.00 60.65 60.12 2edp s ILE 63 Cb -0.15 -1.14 0.00 0.00 0.01 0.00 0.00 42.46 41.18 2edp s ILE 63 CO -0.00 0.38 0.00 0.59 0.00 0.00 0.00 174.94 175.91 2edp n ASN 64 N 3.84 -3.96 0.00 3.58 5.03 0.23 0.15 115.26 124.13 2edp n ASN 64 Ca -0.22 0.22 0.00 0.00 0.87 0.00 0.00 54.58 55.45 2edp n ASN 64 Cb 0.52 -3.45 0.00 0.00 -1.02 0.00 0.00 39.78 35.83 2edp n ASN 64 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2edp n GLY 65 N -0.66 0.38 3.07 7.41 0.00 -1.25 -4.94 105.19 109.20 2edp n GLY 65 Ca -0.15 -0.97 -0.32 0.00 0.00 0.00 0.00 46.02 44.58 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 -2.00 2.00 -0.32 2.61 2.01 0.12 -5.09 115.64 114.98 2edp s THR 66 Ca 0.00 -1.26 -0.29 0.00 0.31 0.00 0.00 61.69 60.46 2edp s THR 66 Cb 0.00 -2.00 -0.01 0.00 0.01 0.00 0.00 72.50 70.49 2edp s THR 66 CO 0.00 0.20 1.67 -2.16 -0.69 0.00 0.00 174.62 173.65 2edp s PRO 67 N 1.24 3.50 0.68 4.92 0.04 -1.26 -2.13 135.00 141.99 2edp s PRO 67 Ca -0.03 1.39 -0.07 0.00 0.04 0.00 0.00 61.00 62.34 2edp s PRO 67 Cb -0.17 -4.12 0.04 0.00 0.04 0.00 0.00 34.50 30.29 2edp s PRO 67 CO -0.08 -1.65 1.00 -0.51 0.04 0.00 0.00 177.00 175.79 2edp s LEU 68 N 6.15 2.92 -0.04 -3.56 1.43 -0.27 -5.03 118.68 120.28 2edp s LEU 68 Ca 0.74 0.60 -0.01 0.00 -1.03 0.00 0.00 54.13 54.43 2edp s LEU 68 Cb -0.21 -3.30 -0.02 0.00 0.03 0.00 0.00 46.19 42.68 2edp s LEU 68 CO 0.32 -1.44 -0.05 -1.22 0.23 0.00 0.00 176.35 174.19 2edp n TYR 69 N -2.85 0.00 0.00 0.29 4.01 -1.26 -4.95 117.16 112.40 2edp n TYR 69 Ca 0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.81 2edp n TYR 69 Cb 0.59 -0.16 0.00 0.00 -0.31 0.00 0.00 39.34 39.47 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 2.97 -0.01 2.89 2.72 0.00 -1.26 -4.92 105.19 107.57 2edp n GLY 70 Ca -0.08 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.47 2edp n GLY 70 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2edp n SER 71 N -1.73 0.53 0.29 1.61 2.88 -1.26 -2.72 113.62 113.21 2edp n SER 71 Ca 0.00 0.46 -0.18 0.00 -1.33 0.00 0.00 58.87 57.82 2edp n SER 71 Cb 0.00 -0.79 -0.10 0.00 -0.75 0.00 0.00 64.21 62.58 2edp n SER 71 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 2edp h ARG 72 N 8.61 -0.94 0.00 -1.46 2.43 -1.91 -3.13 114.38 117.98 2edp h ARG 72 Ca -0.07 0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2edp h ARG 72 Cb 1.20 0.21 0.00 0.00 -0.42 0.00 0.00 29.97 30.97 2edp h ARG 72 CO 1.03 -0.63 0.00 1.04 -1.51 0.00 0.00 179.97 179.90 2edp n GLN 73 N -5.42 0.00 -0.25 0.20 3.00 -1.26 -0.04 117.38 113.61 2edp n GLN 73 Ca -0.12 0.50 -0.02 0.00 -0.01 0.00 0.00 57.00 57.35 2edp n GLN 73 Cb 0.45 -0.83 0.01 0.00 0.00 0.00 0.00 30.24 29.87 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 -1.76 -0.17 0.00 -1.09 4.07 -1.22 -0.49 120.64 119.98 2edp n GLU 74 Ca 0.00 0.96 0.00 0.00 -0.06 0.00 0.00 57.16 58.06 2edp n GLU 74 Cb 0.00 -1.43 0.00 0.00 -0.06 0.00 0.00 31.44 29.95 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 -3.64 -0.11 -0.32 4.31 0.00 0.94 0.00 120.51 121.68 2edp n ALA 75 Ca 0.05 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.69 2edp n ALA 75 Cb 0.24 0.25 0.40 0.00 0.00 0.00 0.00 19.45 20.33 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 0.32 -0.15 0.00 3.38 -0.62 0.17 115.31 118.41 2edp h LEU 76 Ca 0.00 0.19 0.02 0.00 0.09 0.00 0.00 57.88 58.18 2edp h LEU 76 Cb 0.00 0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 2edp h LEU 76 CO 0.00 -0.13 0.02 0.40 0.09 0.00 0.00 178.44 178.82 2edp h ILE 77 N 0.30 0.92 -0.33 1.22 2.04 0.07 0.39 117.51 122.11 2edp h ILE 77 Ca 0.66 -0.03 0.10 0.00 1.00 0.00 0.00 64.86 66.59 2edp h ILE 77 Cb 1.42 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 38.33 2edp h ILE 77 CO -0.62 0.01 0.58 0.25 0.00 0.00 0.00 178.15 178.38 2edp h LEU 78 N 0.07 0.00 0.00 1.44 5.85 0.27 -1.85 115.31 121.09 2edp h LEU 78 Ca 0.07 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.60 2edp h LEU 78 Cb 0.07 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 2edp h LEU 78 CO -0.10 0.00 -1.31 -0.38 -0.34 0.00 0.00 178.44 176.31 2edp n ILE 79 N -3.25 1.50 -0.35 4.05 5.41 -0.43 -4.32 119.36 121.97 2edp n ILE 79 Ca 0.06 -0.02 0.32 0.00 1.00 0.00 0.00 62.75 64.11 2edp n ILE 79 Cb 0.72 -2.15 0.56 0.00 -0.71 0.00 0.00 39.64 38.06 2edp n ILE 79 CO 0.00 0.00 0.00 2.29 0.00 0.00 0.00 176.55 178.84 2edp n LYS 80 N -4.45 -0.04 -1.10 0.38 2.85 -0.00 0.22 118.16 116.02 2edp n LYS 80 Ca -0.28 1.15 -0.25 0.00 -1.05 0.00 0.00 58.31 57.87 2edp n LYS 80 Cb 0.59 -2.16 0.07 0.00 -0.65 0.00 0.00 35.03 32.88 2edp n LYS 80 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2edp n GLY 81 N -1.35 4.89 3.22 2.58 0.00 -1.00 -4.99 105.19 108.54 2edp n GLY 81 Ca 0.34 -1.62 -0.27 0.00 0.00 0.00 0.00 46.02 44.48 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 -0.39 -3.29 0.00 1.61 3.41 0.59 -5.03 113.62 110.53 2edp n SER 82 Ca 0.47 -0.55 0.00 0.00 -0.26 0.00 0.00 58.87 58.53 2edp n SER 82 Cb 0.73 -0.99 0.00 0.00 -0.26 0.00 0.00 64.21 63.69 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 -5.20 0.00 0.11 7.33 3.01 -1.26 -4.95 117.46 116.50 2edp n PHE 83 Ca 0.08 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.54 2edp n PHE 83 Cb 0.53 0.16 0.00 0.00 -0.01 0.00 0.00 39.48 40.15 2edp n PHE 83 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 2edp n ARG 84 N -1.66 0.00 -4.75 -1.08 5.12 -1.26 -4.62 116.66 108.41 2edp n ARG 84 Ca 0.00 0.00 -0.33 0.00 -1.93 0.00 0.00 57.85 55.59 2edp n ARG 84 Cb 0.00 -0.12 -0.12 0.00 -1.16 0.00 0.00 32.46 31.05 2edp n ARG 84 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 2edp s ILE 85 N -2.00 3.37 -0.10 0.55 1.01 -1.26 -0.49 121.20 122.28 2edp s ILE 85 Ca 0.00 -0.60 0.01 0.00 0.00 0.00 0.00 60.65 60.06 2edp s ILE 85 Cb 0.00 -2.36 -0.02 0.00 0.01 0.00 0.00 42.46 40.09 2edp s ILE 85 CO 0.00 0.59 -0.13 -0.22 0.00 0.00 0.00 174.94 175.17 2edp s LEU 86 N -0.66 2.73 -0.21 2.97 2.96 -1.16 -4.94 118.68 120.36 2edp s LEU 86 Ca 0.10 -0.27 0.01 0.00 -0.22 0.00 0.00 54.13 53.75 2edp s LEU 86 Cb -0.11 -1.59 0.03 0.00 0.50 0.00 0.00 46.19 45.02 2edp s LEU 86 CO 0.01 0.24 -0.15 -0.54 -1.32 0.00 0.00 176.35 174.59 2edp s LYS 87 N -0.09 2.76 -0.05 1.98 1.02 -1.26 0.60 119.74 124.70 2edp s LYS 87 Ca -0.02 -1.00 0.03 0.00 0.02 0.00 0.00 55.97 55.00 2edp s LYS 87 Cb -0.14 -2.72 0.01 0.00 -0.52 0.00 0.00 37.83 34.46 2edp s LYS 87 CO 0.04 -0.34 -0.12 -0.51 -0.92 0.00 0.00 175.35 173.50 2edp s LEU 88 N 1.24 1.72 -0.37 3.17 1.43 -0.88 0.77 118.68 125.75 2edp s LEU 88 Ca 0.00 -0.27 -0.04 0.00 -1.03 0.00 0.00 54.13 52.79 2edp s LEU 88 Cb -0.16 -0.77 0.08 0.00 0.03 0.00 0.00 46.19 45.38 2edp s LEU 88 CO -0.09 0.06 0.15 -0.63 0.23 0.00 0.00 176.35 176.07 2edp s ILE 89 N 0.42 3.45 -0.14 -0.59 1.09 -0.81 0.92 121.20 125.53 2edp s ILE 89 Ca -0.09 -1.65 -0.06 0.00 -1.10 0.00 0.00 60.65 57.75 2edp s ILE 89 Cb -0.13 -3.17 -0.04 0.00 -1.06 0.00 0.00 42.46 38.07 2edp s ILE 89 CO 0.02 -0.44 0.05 0.68 -0.10 0.00 0.00 174.94 175.15 2edp s VAL 90 N 1.25 4.71 -0.22 2.92 -7.23 -1.16 -3.52 120.40 117.17 2edp s VAL 90 Ca 0.03 -0.08 -0.08 0.00 -1.81 0.00 0.00 61.98 60.04 2edp s VAL 90 Cb -0.22 -3.07 -0.04 0.00 0.56 0.00 0.00 36.38 33.62 2edp s VAL 90 CO -0.01 0.53 0.08 0.00 -0.31 0.00 0.00 175.10 175.39 2edp s ARG 91 N -0.20 3.86 -0.61 4.82 1.70 -1.24 -0.20 118.95 127.08 2edp s ARG 91 Ca 0.07 -0.39 0.00 0.00 -0.47 0.00 0.00 55.73 54.94 2edp s ARG 91 Cb -0.12 -3.31 0.15 0.00 -0.57 0.00 0.00 34.95 31.11 2edp s ARG 91 CO 0.01 0.05 0.40 -0.98 -1.08 0.00 0.00 175.30 173.71 2edp s ARG 92 N 0.99 2.39 -0.44 3.89 1.70 -0.71 -4.05 118.95 122.72 2edp s ARG 92 Ca 0.04 -2.67 -0.45 0.00 -0.47 0.00 0.00 55.73 52.18 2edp s ARG 92 Cb -0.14 -3.58 -0.19 0.00 -0.57 0.00 0.00 34.95 30.47 2edp s ARG 92 CO 0.03 -1.16 1.61 2.89 -1.08 0.00 0.00 175.30 177.59 2edp n ARG 93 N 3.17 0.24 -2.90 3.89 1.85 -1.26 -3.97 116.66 117.69 2edp n ARG 93 Ca 0.08 0.09 -0.44 0.00 -1.00 0.00 0.00 57.85 56.59 2edp n ARG 93 Cb 0.35 -1.63 0.00 0.00 -1.05 0.00 0.00 32.46 30.14 2edp n ARG 93 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 2edp n ASN 94 N 4.20 5.25 -4.83 2.89 4.13 -1.24 -4.99 115.26 120.66 2edp n ASN 94 Ca 0.30 -3.01 -0.35 0.00 1.68 0.00 0.00 54.58 53.20 2edp n ASN 94 Cb -0.02 -1.54 -0.06 0.00 -1.54 0.00 0.00 39.78 36.63 2edp n ASN 94 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 2edp s SER 95 N 2.36 6.92 0.00 6.41 0.01 -1.26 -4.92 113.70 123.22 2edp s SER 95 Ca 0.41 1.29 0.00 0.00 1.31 0.00 0.00 55.95 58.96 2edp s SER 95 Cb -0.02 -2.37 0.00 0.00 0.21 0.00 0.00 66.02 63.84 2edp s SER 95 CO -0.00 -0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.25 2edp n GLY 96 N 0.46 -1.64 3.57 3.44 0.00 -1.26 -5.10 105.19 104.66 2edp n GLY 96 Ca -0.02 0.74 -0.41 0.00 0.00 0.00 0.00 46.02 46.34 2edp n GLY 96 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2edp s PRO 97 N 0.70 2.99 -0.19 1.61 0.04 -1.26 -4.95 135.00 133.92 2edp s PRO 97 Ca 0.00 0.93 -0.02 0.00 0.04 0.00 0.00 61.00 61.94 2edp s PRO 97 Cb 0.00 -4.28 0.06 0.00 0.04 0.00 0.00 34.50 30.32 2edp s PRO 97 CO 0.00 -2.29 0.03 -1.54 0.04 0.00 0.00 177.00 173.24 2edp s SER 98 N 6.90 2.95 -1.10 6.66 1.04 -1.26 -5.06 113.70 123.83 2edp s SER 98 Ca 0.71 -0.83 -0.24 0.00 0.48 0.00 0.00 55.95 56.06 2edp s SER 98 Cb -0.16 -0.64 -0.12 0.00 0.10 0.00 0.00 66.02 65.20 2edp s SER 98 CO 0.27 -0.30 2.01 -0.44 0.98 0.00 0.00 173.24 175.76 2edp s SER 99 N 1.82 4.58 0.00 7.02 0.01 -1.26 -5.32 113.70 120.56 2edp s SER 99 Ca -0.01 -1.27 0.00 0.00 1.31 0.00 0.00 55.95 55.98 2edp s SER 99 Cb -0.17 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.47 2edp s SER 99 CO -0.08 -3.50 0.00 0.61 0.41 0.00 0.00 173.24 170.68