#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 -0.48 -0.03 1.61 0.01 -1.26 -5.08 113.70 108.47 2edp s SER 2 Ca 0.00 0.40 -0.16 0.00 1.31 0.00 0.00 55.95 57.50 2edp s SER 2 Cb 0.00 0.47 -0.09 0.00 0.21 0.00 0.00 66.02 66.61 2edp s SER 2 CO 0.00 -0.60 0.66 -1.28 0.41 0.00 0.00 173.24 172.42 2edp h SER 3 N 3.14 -0.47 -0.44 2.44 0.87 -2.12 -3.49 113.55 113.48 2edp h SER 3 Ca -0.29 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.29 2edp h SER 3 Cb 1.17 0.12 0.00 0.00 -0.44 0.00 0.00 62.40 63.25 2edp h SER 3 CO 0.40 -0.06 0.00 0.61 -0.53 0.00 0.00 176.83 177.25 2edp n GLY 4 N 0.33 -0.20 3.72 5.77 0.00 -1.26 -4.71 105.19 108.84 2edp n GLY 4 Ca -0.07 -0.65 -0.33 0.00 0.00 0.00 0.00 46.02 44.97 2edp n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2edp s SER 5 N -4.00 3.99 0.07 1.61 1.04 -1.26 -5.05 113.70 110.09 2edp s SER 5 Ca 0.00 2.23 -0.19 0.00 0.48 0.00 0.00 55.95 58.47 2edp s SER 5 Cb 0.00 -2.57 0.04 0.00 0.10 0.00 0.00 66.02 63.59 2edp s SER 5 CO 0.00 -2.40 0.46 -0.44 0.98 0.00 0.00 173.24 171.84 2edp s SER 6 N -2.37 -0.34 -0.25 7.02 0.01 -1.26 -5.04 113.70 111.46 2edp s SER 6 Ca 0.70 -0.01 -0.28 0.00 1.31 0.00 0.00 55.95 57.68 2edp s SER 6 Cb -0.26 0.47 0.17 0.00 0.21 0.00 0.00 66.02 66.61 2edp s SER 6 CO 0.49 -0.74 1.24 -0.83 0.41 0.00 0.00 173.24 173.81 2edp s GLY 7 N -2.20 0.02 -1.30 3.44 0.00 -1.26 -5.06 107.32 100.96 2edp s GLY 7 Ca -0.03 2.73 -0.07 0.00 0.00 0.00 0.00 44.72 47.35 2edp s GLY 7 CO -0.05 1.34 2.16 0.61 0.00 0.00 0.00 173.10 177.16 2edp n GLY 8 N 0.98 5.03 3.54 0.20 0.00 -1.26 -4.37 105.19 109.32 2edp n GLY 8 Ca -0.06 -2.08 -0.30 0.00 0.00 0.00 0.00 46.02 43.57 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 0.53 0.53 0.11 1.61 0.01 -1.26 -4.98 113.70 110.25 2edp s SER 9 Ca 0.47 0.64 0.04 0.00 1.31 0.00 0.00 55.95 58.42 2edp s SER 9 Cb 0.14 -0.88 -0.04 0.00 0.21 0.00 0.00 66.02 65.46 2edp s SER 9 CO -0.05 -4.36 -0.11 -0.36 0.41 0.00 0.00 173.24 168.77 2edp s PHE 10 N -2.90 1.19 -0.14 2.43 0.40 -1.26 -3.92 117.98 113.79 2edp s PHE 10 Ca 0.71 -0.65 0.02 0.00 -0.60 0.00 0.00 56.93 56.42 2edp s PHE 10 Cb -0.10 -0.63 0.01 0.00 0.51 0.00 0.00 43.02 42.81 2edp s PHE 10 CO 0.56 0.06 -0.22 -1.14 0.70 0.00 0.00 175.22 175.18 2edp s GLN 11 N -2.94 2.97 -0.31 0.44 0.74 -1.25 -4.94 119.66 114.37 2edp s GLN 11 Ca 0.08 -0.84 -0.16 0.00 0.05 0.00 0.00 55.36 54.50 2edp s GLN 11 Cb -0.02 -2.40 -0.02 0.00 1.10 0.00 0.00 33.01 31.67 2edp s GLN 11 CO 0.01 -0.02 0.43 0.71 -0.55 0.00 0.00 175.29 175.87 2edp s TYR 12 N 0.82 3.22 -0.59 1.67 2.02 -1.26 -2.33 117.35 120.89 2edp s TYR 12 Ca -0.07 0.25 -0.14 0.00 -0.37 0.00 0.00 57.07 56.75 2edp s TYR 12 Cb -0.15 -2.73 0.15 0.00 -0.40 0.00 0.00 41.96 38.83 2edp s TYR 12 CO -0.02 -0.38 0.52 0.08 -1.57 0.00 0.00 175.55 174.18 2edp s VAL 13 N 2.19 5.02 -1.15 0.71 1.01 -0.01 -4.92 120.40 123.25 2edp s VAL 13 Ca 0.16 -1.84 -0.23 0.00 0.00 0.00 0.00 61.98 60.07 2edp s VAL 13 Cb -0.16 -4.21 -0.08 0.00 0.00 0.00 0.00 36.38 31.93 2edp s VAL 13 CO 0.11 -0.89 1.94 -2.16 0.00 0.00 0.00 175.10 174.11 2edp s PRO 14 N 1.16 2.50 -0.83 2.72 0.04 -1.25 -2.67 135.00 136.67 2edp s PRO 14 Ca 0.07 -1.06 -0.25 0.00 0.04 0.00 0.00 61.00 59.80 2edp s PRO 14 Cb -0.24 -5.22 -0.09 0.00 0.04 0.00 0.00 34.50 28.98 2edp s PRO 14 CO -0.01 -3.92 2.18 0.08 0.04 0.00 0.00 177.00 175.37 2edp s VAL 15 N 10.94 3.22 -0.87 -0.36 1.01 0.61 -4.76 120.40 130.19 2edp s VAL 15 Ca 0.69 -0.17 -0.20 0.00 0.00 0.00 0.00 61.98 62.30 2edp s VAL 15 Cb -0.01 -3.50 0.11 0.00 0.00 0.00 0.00 36.38 32.98 2edp s VAL 15 CO 0.12 -0.47 1.09 -1.58 0.00 0.00 0.00 175.10 174.26 2edp s GLN 16 N 7.96 3.48 0.93 2.72 0.74 -1.26 -2.08 119.66 132.15 2edp s GLN 16 Ca 0.82 -1.53 -0.12 0.00 0.05 0.00 0.00 55.36 54.58 2edp s GLN 16 Cb -0.10 -4.78 0.15 0.00 1.10 0.00 0.00 33.01 29.38 2edp s GLN 16 CO 0.05 -1.79 1.09 -0.51 -0.55 0.00 0.00 175.29 173.57 2edp s LEU 17 N 3.07 2.11 -0.17 3.68 1.43 -0.03 -4.84 118.68 123.93 2edp s LEU 17 Ca 0.30 1.52 -0.15 0.00 -1.03 0.00 0.00 54.13 54.78 2edp s LEU 17 Cb -0.08 -3.87 0.04 0.00 0.03 0.00 0.00 46.19 42.32 2edp s LEU 17 CO -0.05 -2.86 0.44 -1.10 0.23 0.00 0.00 176.35 173.00 2edp s GLN 18 N -4.87 0.50 0.00 1.70 -0.21 -1.26 -2.59 119.66 112.94 2edp s GLN 18 Ca 0.64 0.63 0.00 0.00 0.02 0.00 0.00 55.36 56.65 2edp s GLN 18 Cb -0.19 0.23 0.00 0.00 1.00 0.00 0.00 33.01 34.05 2edp s GLN 18 CO 0.58 -0.07 0.00 0.41 -2.12 0.00 0.00 175.29 174.09 2edp n GLY 19 N 2.96 3.15 0.00 3.09 0.00 0.16 -4.97 105.19 109.58 2edp n GLY 19 Ca -0.14 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.75 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 2.57 3.11 -0.02 0.00 0.22 -4.75 105.19 106.32 2edp n GLY 20 Ca 0.00 -1.67 -0.35 0.00 0.00 0.00 0.00 46.02 44.00 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 1.17 -4.79 -1.77 4.61 0.00 -1.26 -4.66 120.51 113.82 2edp n ALA 21 Ca 0.00 -0.74 -0.39 0.00 0.00 0.00 0.00 53.44 52.32 2edp n ALA 21 Cb 0.00 -1.29 -0.02 0.00 0.00 0.00 0.00 19.45 18.14 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 -2.44 4.06 -0.02 0.00 0.04 -1.26 -5.09 135.00 130.29 2edp s PRO 22 Ca 0.44 1.89 0.00 0.00 0.04 0.00 0.00 61.00 63.38 2edp s PRO 22 Cb -0.17 -2.71 -0.26 0.00 0.04 0.00 0.00 34.50 31.40 2edp s PRO 22 CO 0.78 -0.33 0.75 -1.49 0.04 0.00 0.00 177.00 176.75 2edp h TRP 23 N 2.69 0.34 -2.82 0.56 4.06 -1.97 -3.34 115.95 115.46 2edp h TRP 23 Ca -0.49 -0.25 -0.01 0.00 2.06 0.00 0.00 58.89 60.21 2edp h TRP 23 Cb 1.24 -0.01 0.00 0.00 -1.00 0.00 0.00 29.16 29.39 2edp h TRP 23 CO 0.55 1.35 -0.02 0.41 -3.56 0.00 0.00 178.44 177.17 2edp n GLY 24 N 1.68 0.77 3.64 1.49 0.00 -1.26 0.11 105.19 111.62 2edp n GLY 24 Ca -0.18 -0.31 -0.10 0.00 0.00 0.00 0.00 46.02 45.42 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 -3.01 -0.85 0.35 1.61 -0.12 -1.26 -2.13 117.98 112.57 2edp s PHE 25 Ca 0.01 1.89 0.04 0.00 -0.05 0.00 0.00 56.93 58.81 2edp s PHE 25 Cb -0.00 0.42 -0.01 0.00 -0.63 0.00 0.00 43.02 42.80 2edp s PHE 25 CO 0.01 -0.42 0.14 0.25 -0.05 0.00 0.00 175.22 175.15 2edp n THR 26 N 3.33 0.00 -4.18 -4.49 -2.24 0.16 -4.97 114.28 101.90 2edp n THR 26 Ca -0.16 -2.07 -0.13 0.00 -2.27 0.00 0.00 64.05 59.42 2edp n THR 26 Cb 0.57 0.76 -0.09 0.00 -2.10 0.00 0.00 70.33 69.47 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 1.10 0.00 3.22 1.43 -1.26 -1.83 118.68 121.34 2edp s LEU 27 Ca 0.19 -1.38 -0.01 0.00 -1.03 0.00 0.00 54.13 51.90 2edp s LEU 27 Cb 0.01 0.66 0.01 0.00 0.03 0.00 0.00 46.19 46.90 2edp s LEU 27 CO 0.14 -0.94 0.43 2.29 0.23 0.00 0.00 176.35 178.50 2edp n LYS 28 N -0.35 0.62 0.00 1.70 0.00 -1.00 -4.59 118.16 114.54 2edp n LYS 28 Ca 0.02 -2.53 0.00 0.00 -0.00 0.00 0.00 58.31 55.80 2edp n LYS 28 Cb 0.65 2.42 0.00 0.00 -0.00 0.00 0.00 35.03 38.10 2edp n LYS 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2edp n GLY 29 N -0.52 2.93 0.00 2.58 0.00 -1.26 -3.82 105.19 105.09 2edp n GLY 29 Ca 0.01 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 1.19 0.32 -0.02 0.00 0.29 -4.62 105.19 102.35 2edp n GLY 30 Ca 0.00 -2.12 0.02 0.00 0.00 0.00 0.00 46.02 43.93 2edp n GLY 30 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 2edp h LEU 31 N 0.00 0.63 -1.32 0.99 -0.00 -0.93 0.55 115.31 115.23 2edp h LEU 31 Ca 0.00 -0.03 0.31 0.00 -0.00 0.00 0.00 57.88 58.16 2edp h LEU 31 Cb 0.00 -0.16 -0.11 0.00 -0.00 0.00 0.00 40.66 40.39 2edp h LEU 31 CO 0.00 0.48 0.70 -0.08 -0.00 0.00 0.00 178.44 179.54 2edp h GLU 32 N 0.74 0.32 -0.01 0.17 4.57 -1.83 0.36 114.58 118.90 2edp h GLU 32 Ca 0.20 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.36 2edp h GLU 32 Cb -0.05 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.47 2edp h GLU 32 CO -0.04 0.21 -0.01 0.72 -1.18 0.00 0.00 179.01 178.72 2edp n HIS 33 N -4.69 0.00 -1.90 0.92 8.25 -0.83 -4.99 115.22 111.99 2edp n HIS 33 Ca 0.29 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.67 2edp n HIS 33 Cb 1.00 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 32.10 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 -3.92 3.00 -0.47 0.00 2.02 0.15 -4.91 118.70 114.56 2edp s GLU 35 Ca 0.00 -0.67 -0.28 0.00 0.02 0.00 0.00 54.97 54.04 2edp s GLU 35 Cb 0.00 -2.78 -0.02 0.00 0.10 0.00 0.00 34.13 31.44 2edp s GLU 35 CO 0.00 0.56 1.77 -1.25 0.02 0.00 0.00 175.26 176.36 2edp s PRO 36 N -2.54 3.05 -0.84 0.39 0.04 -1.26 -0.55 135.00 133.29 2edp s PRO 36 Ca 0.31 0.99 -0.21 0.00 0.04 0.00 0.00 61.00 62.13 2edp s PRO 36 Cb -0.12 -4.26 -0.19 0.00 0.04 0.00 0.00 34.50 29.97 2edp s PRO 36 CO 0.23 -2.21 2.26 -0.11 0.04 0.00 0.00 177.00 177.21 2edp n LEU 37 N 11.18 0.80 -4.59 -3.56 7.94 -1.26 -4.63 117.00 122.88 2edp n LEU 37 Ca 0.21 -1.38 -0.27 0.00 -1.11 0.00 0.00 56.01 53.46 2edp n LEU 37 Cb 0.49 -1.36 -0.10 0.00 0.53 0.00 0.00 43.42 42.98 2edp n LEU 37 CO 0.70 -2.43 -0.33 0.42 -1.11 0.00 0.00 177.39 174.63 2edp s THR 38 N 10.99 2.18 0.11 1.96 -4.23 -1.25 -2.60 115.64 122.80 2edp s THR 38 Ca 0.97 -2.08 -0.33 0.00 -1.18 0.00 0.00 61.69 59.07 2edp s THR 38 Cb -0.29 -2.81 -0.12 0.00 1.34 0.00 0.00 72.50 70.62 2edp s THR 38 CO 0.21 -0.11 1.73 0.52 -0.54 0.00 0.00 174.62 176.43 2edp n VAL 39 N -0.90 0.22 -0.12 2.29 0.31 -0.23 -2.38 118.33 117.52 2edp n VAL 39 Ca -0.05 -0.04 -0.16 0.00 -0.01 0.00 0.00 64.34 64.08 2edp n VAL 39 Cb 0.65 -1.84 -0.12 0.00 -0.91 0.00 0.00 33.84 31.62 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 4.75 1.88 -3.70 4.52 3.41 -0.76 -2.82 113.62 120.90 2edp n SER 40 Ca 0.18 -0.12 -0.14 0.00 -0.26 0.00 0.00 58.87 58.53 2edp n SER 40 Cb 0.32 -0.25 -0.09 0.00 -0.26 0.00 0.00 64.21 63.93 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 -2.49 0.64 -0.39 4.33 2.47 -1.26 -4.94 119.74 118.10 2edp s LYS 41 Ca -0.31 0.49 0.01 0.00 -1.56 0.00 0.00 55.97 54.60 2edp s LYS 41 Cb 0.08 0.30 0.13 0.00 -1.46 0.00 0.00 37.83 36.88 2edp s LYS 41 CO 0.60 -0.11 0.19 0.42 0.16 0.00 0.00 175.35 176.60 2edp s ILE 42 N -0.15 1.07 -0.24 5.43 1.01 -1.26 0.41 121.20 127.46 2edp s ILE 42 Ca -0.03 -2.08 -0.32 0.00 0.00 0.00 0.00 60.65 58.22 2edp s ILE 42 Cb -0.03 -1.77 -0.14 0.00 0.01 0.00 0.00 42.46 40.53 2edp s ILE 42 CO 0.02 -0.84 1.01 -0.62 0.00 0.00 0.00 174.94 174.51 2edp n GLU 43 N 4.02 0.00 -2.25 2.79 -0.58 -0.91 -4.75 120.64 118.96 2edp n GLU 43 Ca 0.06 0.00 -0.41 0.00 -0.42 0.00 0.00 57.16 56.38 2edp n GLU 43 Cb 0.37 -1.05 -0.03 0.00 -0.57 0.00 0.00 31.44 30.16 2edp n GLU 43 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2edp s ASP 44 N 1.46 5.94 0.00 1.62 1.01 -1.26 -2.78 116.67 122.66 2edp s ASP 44 Ca 0.71 0.54 0.00 0.00 0.71 0.00 0.00 52.55 54.51 2edp s ASP 44 Cb -1.00 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 40.39 2edp s ASP 44 CO 0.52 -1.81 0.00 0.61 0.21 0.00 0.00 175.17 174.70 2edp n GLY 45 N 5.36 1.12 1.10 0.21 0.00 -1.26 -5.09 105.19 106.63 2edp n GLY 45 Ca 0.16 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.09 2edp n GLY 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2edp n GLY 46 N 0.00 -2.83 0.21 -0.02 0.00 -1.12 -4.53 105.19 96.90 2edp n GLY 46 Ca 0.00 -1.41 -0.14 0.00 0.00 0.00 0.00 46.02 44.46 2edp n GLY 46 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2edp h LYS 47 N 0.00 -0.43 -0.88 1.61 6.56 -1.31 0.24 116.57 122.36 2edp h LYS 47 Ca -0.13 0.03 0.24 0.00 -1.06 0.00 0.00 60.65 59.73 2edp h LYS 47 Cb 0.41 0.10 -0.14 0.00 -0.57 0.00 0.00 32.23 32.02 2edp h LYS 47 CO 0.08 -0.17 0.25 0.00 -2.06 0.00 0.00 179.45 177.56 2edp h ALA 48 N -0.06 1.30 0.01 3.86 0.00 -0.56 0.40 119.26 124.22 2edp h ALA 48 Ca -0.05 0.22 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 2edp h ALA 48 Cb 0.46 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2edp h ALA 48 CO 0.07 -0.47 -0.01 0.00 0.00 0.00 0.00 179.25 178.85 2edp h ALA 49 N 1.79 -0.02 -0.83 0.00 0.00 -1.73 -3.11 119.26 115.37 2edp h ALA 49 Ca 0.56 -0.38 0.20 0.00 0.00 0.00 0.00 54.91 55.29 2edp h ALA 49 Cb 1.14 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.88 2edp h ALA 49 CO -0.66 -0.11 0.56 -0.07 0.00 0.00 0.00 179.25 178.97 2edp h LEU 50 N -0.81 0.26 -0.63 0.00 3.38 0.58 0.18 115.31 118.27 2edp h LEU 50 Ca -0.00 0.02 -0.14 0.00 0.09 0.00 0.00 57.88 57.85 2edp h LEU 50 Cb 0.76 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 2edp h LEU 50 CO 0.00 0.11 -0.50 0.28 0.09 0.00 0.00 178.44 178.42 2edp h SER 51 N 0.26 0.52 -2.23 -0.43 0.02 -0.29 -3.47 113.55 107.94 2edp h SER 51 Ca 0.41 -0.26 -0.41 0.00 -0.84 0.00 0.00 61.79 60.70 2edp h SER 51 Cb 1.21 -0.15 -0.08 0.00 0.14 0.00 0.00 62.40 63.53 2edp h SER 51 CO -0.11 0.93 -0.46 0.00 -1.14 0.00 0.00 176.83 176.06 2edp n GLN 52 N -3.97 -1.61 -0.03 3.45 6.02 0.63 -4.85 117.38 117.02 2edp n GLN 52 Ca -0.02 1.06 -0.16 0.00 -0.01 0.00 0.00 57.00 57.87 2edp n GLN 52 Cb 0.57 -5.60 -0.14 0.00 1.02 0.00 0.00 30.24 26.09 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 -2.72 0.70 -4.34 -1.09 4.76 -1.26 -4.97 118.16 109.24 2edp n LYS 53 Ca -0.22 0.23 -0.21 0.00 -2.87 0.00 0.00 58.31 55.24 2edp n LYS 53 Cb 0.67 -1.69 -0.11 0.00 -1.84 0.00 0.00 35.03 32.06 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 -2.56 1.31 0.12 1.97 0.23 -1.26 -5.02 119.30 114.09 2edp s MET 54 Ca -0.17 -1.48 -0.09 0.00 -1.03 0.00 0.00 55.69 52.91 2edp s MET 54 Cb 0.07 -1.29 -0.00 0.00 -1.53 0.00 0.00 34.83 32.09 2edp s MET 54 CO 0.77 0.25 0.24 0.50 -2.03 0.00 0.00 175.02 174.75 2edp s ARG 55 N -3.09 0.98 -0.44 3.16 3.52 -1.26 -4.83 118.95 116.99 2edp s ARG 55 Ca 0.18 -1.01 -0.34 0.00 -0.13 0.00 0.00 55.73 54.44 2edp s ARG 55 Cb -0.04 0.37 -0.12 0.00 -1.56 0.00 0.00 34.95 33.60 2edp s ARG 55 CO 0.07 -0.34 2.28 0.25 -0.81 0.00 0.00 175.30 176.75 2edp n THR 56 N -0.13 0.13 0.00 4.11 -2.24 -1.26 -1.96 114.28 112.92 2edp n THR 56 Ca -0.12 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 2edp n THR 56 Cb 0.63 -1.66 0.00 0.00 -2.10 0.00 0.00 70.33 67.20 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 6.49 0.69 3.87 3.38 0.00 -1.13 -4.97 105.19 113.52 2edp n GLY 57 Ca 0.44 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.15 2edp n GLY 57 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2edp s ASP 58 N -0.26 6.43 -0.44 1.61 1.47 -0.83 -4.78 116.67 119.87 2edp s ASP 58 Ca 0.00 1.33 -0.15 0.00 1.18 0.00 0.00 52.55 54.91 2edp s ASP 58 Cb 0.00 -2.42 0.04 0.00 -0.34 0.00 0.00 42.92 40.21 2edp s ASP 58 CO 0.00 -0.63 0.35 -0.70 0.68 0.00 0.00 175.17 174.87 2edp s GLU 59 N -4.46 2.98 -0.52 2.11 2.12 -1.24 -1.06 118.70 118.62 2edp s GLU 59 Ca 0.54 -1.15 -0.20 0.00 0.36 0.00 0.00 54.97 54.52 2edp s GLU 59 Cb -0.10 -4.05 0.06 0.00 0.26 0.00 0.00 34.13 30.29 2edp s GLU 59 CO 0.40 -0.88 0.72 -1.17 -0.54 0.00 0.00 175.26 173.79 2edp s LEU 60 N 1.70 4.74 0.00 2.70 0.20 -1.07 -2.68 118.68 124.27 2edp s LEU 60 Ca 0.05 -0.78 0.05 0.00 0.69 0.00 0.00 54.13 54.14 2edp s LEU 60 Cb -0.21 -2.54 0.06 0.00 -0.43 0.00 0.00 46.19 43.06 2edp s LEU 60 CO 0.09 -0.99 0.73 1.33 -0.29 0.00 0.00 176.35 177.21 2edp n VAL 61 N 5.77 0.13 -3.84 1.68 0.24 -1.25 -4.86 118.33 116.20 2edp n VAL 61 Ca -0.04 -0.56 -0.19 0.00 -2.04 0.00 0.00 64.34 61.51 2edp n VAL 61 Cb 0.46 1.04 -0.17 0.00 -1.47 0.00 0.00 33.84 33.70 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 -0.52 0.76 -0.06 -1.34 3.84 -1.26 -0.26 114.94 116.10 2edp s ASN 62 Ca 0.07 -0.01 -0.00 0.00 0.21 0.00 0.00 52.86 53.12 2edp s ASN 62 Cb 0.05 -0.24 0.03 0.00 -0.55 0.00 0.00 41.25 40.53 2edp s ASN 62 CO 0.07 -0.15 -0.02 -0.63 -2.79 0.00 0.00 177.10 173.58 2edp s ILE 63 N 1.42 0.51 -1.77 -5.21 1.01 -0.74 -2.67 121.20 113.75 2edp s ILE 63 Ca -0.04 -0.02 0.00 0.00 0.00 0.00 0.00 60.65 60.59 2edp s ILE 63 Cb -0.13 -0.60 0.00 0.00 0.01 0.00 0.00 42.46 41.74 2edp s ILE 63 CO -0.03 0.26 0.00 0.59 0.00 0.00 0.00 174.94 175.76 2edp n ASN 64 N 4.69 -5.69 -0.00 3.58 3.02 0.35 -0.74 115.26 120.47 2edp n ASN 64 Ca -0.15 0.06 -0.00 0.00 -0.03 0.00 0.00 54.58 54.47 2edp n ASN 64 Cb 0.50 -4.78 -0.00 0.00 -0.61 0.00 0.00 39.78 34.90 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 -0.92 0.45 3.28 7.41 0.00 -1.15 -4.87 105.19 109.40 2edp n GLY 65 Ca -0.23 -0.50 -0.36 0.00 0.00 0.00 0.00 46.02 44.93 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 3.43 -0.16 2.61 2.01 0.08 -5.08 115.64 116.54 2edp s THR 66 Ca 0.00 -0.77 -0.29 0.00 0.31 0.00 0.00 61.69 60.94 2edp s THR 66 Cb 0.00 -2.72 -0.03 0.00 0.01 0.00 0.00 72.50 69.76 2edp s THR 66 CO 0.00 0.20 1.57 -2.16 -0.69 0.00 0.00 174.62 173.54 2edp s PRO 67 N 1.43 4.00 0.48 4.92 0.04 -1.26 -1.79 135.00 142.83 2edp s PRO 67 Ca 0.02 1.83 -0.09 0.00 0.04 0.00 0.00 61.00 62.81 2edp s PRO 67 Cb -0.16 -3.97 -0.05 0.00 0.04 0.00 0.00 34.50 30.36 2edp s PRO 67 CO -0.01 -1.04 0.84 -0.51 0.04 0.00 0.00 177.00 176.31 2edp s LEU 68 N 4.52 3.62 -0.17 -3.56 1.43 0.64 -5.01 118.68 120.16 2edp s LEU 68 Ca 0.69 1.12 0.08 0.00 -1.03 0.00 0.00 54.13 54.99 2edp s LEU 68 Cb -0.27 -4.07 -0.23 0.00 0.03 0.00 0.00 46.19 41.66 2edp s LEU 68 CO 0.27 -0.57 0.18 -1.22 0.23 0.00 0.00 176.35 175.23 2edp n TYR 69 N -2.00 0.46 0.00 0.29 4.01 -1.26 -4.92 117.16 113.74 2edp n TYR 69 Ca 0.02 0.13 0.00 0.00 -0.16 0.00 0.00 57.90 57.90 2edp n TYR 69 Cb 0.54 -1.07 0.00 0.00 -0.31 0.00 0.00 39.34 38.50 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 1.88 0.00 3.43 2.72 0.00 -1.26 -5.03 105.19 106.93 2edp n GLY 70 Ca -0.33 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.37 2edp n GLY 70 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2edp s SER 71 N 0.00 3.99 -0.01 1.61 0.01 -1.26 -0.48 113.70 117.56 2edp s SER 71 Ca 0.00 -0.26 -0.17 0.00 1.31 0.00 0.00 55.95 56.83 2edp s SER 71 Cb 0.00 -1.17 -0.09 0.00 0.21 0.00 0.00 66.02 64.96 2edp s SER 71 CO 0.00 0.27 0.78 -0.09 0.41 0.00 0.00 173.24 174.60 2edp h ARG 72 N 5.94 -0.58 0.00 12.44 9.65 -1.94 -3.13 114.38 136.77 2edp h ARG 72 Ca -0.37 0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.55 2edp h ARG 72 Cb 1.18 0.13 0.00 0.00 -1.39 0.00 0.00 29.97 29.89 2edp h ARG 72 CO 0.52 -0.39 0.00 1.04 2.80 0.00 0.00 179.97 183.95 2edp n GLN 73 N -4.71 0.00 -0.28 0.20 3.00 -1.26 -0.85 117.38 113.48 2edp n GLN 73 Ca -0.07 0.78 0.02 0.00 -0.01 0.00 0.00 57.00 57.72 2edp n GLN 73 Cb 0.24 -1.27 0.07 0.00 0.00 0.00 0.00 30.24 29.27 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 -2.17 -0.12 0.00 -1.09 4.07 -1.26 -0.30 120.64 119.78 2edp n GLU 74 Ca 0.00 1.15 0.00 0.00 -0.06 0.00 0.00 57.16 58.25 2edp n GLU 74 Cb 0.00 -1.71 0.00 0.00 -0.06 0.00 0.00 31.44 29.67 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 -3.67 -0.14 -0.28 4.31 0.00 -0.03 0.31 120.51 121.00 2edp n ALA 75 Ca 0.10 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.63 2edp n ALA 75 Cb 0.34 0.25 0.25 0.00 0.00 0.00 0.00 19.45 20.29 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 0.27 -1.38 0.00 3.38 -0.50 0.26 115.31 117.35 2edp h LEU 76 Ca 0.00 0.14 0.06 0.00 0.09 0.00 0.00 57.88 58.17 2edp h LEU 76 Cb 0.00 0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 2edp h LEU 76 CO 0.00 0.04 0.47 0.40 0.09 0.00 0.00 178.44 179.44 2edp h ILE 77 N 0.41 1.03 -0.86 1.22 2.04 -0.10 -1.56 117.51 119.69 2edp h ILE 77 Ca 0.49 -0.26 -0.02 0.00 1.00 0.00 0.00 64.86 66.07 2edp h ILE 77 Cb 0.85 0.20 -0.04 0.00 -0.74 0.00 0.00 36.82 37.09 2edp h ILE 77 CO -0.48 0.14 0.47 0.25 0.00 0.00 0.00 178.15 178.53 2edp h LEU 78 N 0.77 1.08 -0.52 1.44 5.85 0.35 -2.71 115.31 121.57 2edp h LEU 78 Ca 0.30 -0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.96 2edp h LEU 78 Cb 0.22 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.94 2edp h LEU 78 CO -0.10 0.87 0.29 0.40 -0.34 0.00 0.00 178.44 179.56 2edp h ILE 79 N 1.21 1.00 -0.68 4.05 2.04 -1.05 -1.57 117.51 122.51 2edp h ILE 79 Ca 0.30 -0.19 0.20 0.00 1.00 0.00 0.00 64.86 66.17 2edp h ILE 79 Cb 0.03 0.39 -0.03 0.00 -0.74 0.00 0.00 36.82 36.47 2edp h ILE 79 CO -0.05 0.10 1.07 0.11 0.00 0.00 0.00 178.15 179.38 2edp h LYS 80 N 0.56 0.00 0.15 2.37 1.79 -1.38 1.50 116.57 121.56 2edp h LYS 80 Ca 0.22 0.00 -0.30 0.00 -2.18 0.00 0.00 60.65 58.39 2edp h LYS 80 Cb 0.08 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 30.74 2edp h LYS 80 CO -0.13 0.00 -1.41 0.78 -1.08 0.00 0.00 179.45 177.62 2edp h GLY 81 N 0.00 0.36 -2.55 3.86 0.00 -1.41 -3.47 103.07 99.86 2edp h GLY 81 Ca 0.32 -0.92 -0.37 0.00 0.00 0.00 0.00 47.33 46.36 2edp h GLY 81 CO -0.00 0.81 -0.55 1.44 0.00 0.00 0.00 176.54 178.24 2edp n SER 82 N -3.54 -1.65 0.00 0.19 7.64 0.51 -4.95 113.62 111.82 2edp n SER 82 Ca -0.13 0.48 0.00 0.00 1.01 0.00 0.00 58.87 60.23 2edp n SER 82 Cb 1.05 -0.52 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 2edp n SER 82 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2edp n PHE 83 N -0.57 0.00 0.00 1.43 3.01 -1.26 -4.89 117.46 115.17 2edp n PHE 83 Ca 0.07 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.53 2edp n PHE 83 Cb 0.23 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.70 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 2.32 -4.94 -1.08 1.74 -1.26 -4.11 116.66 107.66 2edp n ARG 84 Ca 0.00 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.80 2edp n ARG 84 Cb 0.00 -0.76 -0.16 0.00 -1.02 0.00 0.00 32.46 30.52 2edp n ARG 84 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2edp s ILE 85 N -1.36 1.62 0.18 0.55 1.01 -1.26 0.69 121.20 122.63 2edp s ILE 85 Ca 0.00 -0.80 0.08 0.00 0.00 0.00 0.00 60.65 59.93 2edp s ILE 85 Cb 0.00 -1.40 -0.04 0.00 0.01 0.00 0.00 42.46 41.03 2edp s ILE 85 CO 0.00 0.46 -0.04 -0.22 0.00 0.00 0.00 174.94 175.15 2edp s LEU 86 N 0.19 3.18 -0.22 2.97 2.96 -1.07 -4.94 118.68 121.75 2edp s LEU 86 Ca -0.09 -0.48 -0.03 0.00 -0.22 0.00 0.00 54.13 53.30 2edp s LEU 86 Cb -0.14 -1.83 0.07 0.00 0.50 0.00 0.00 46.19 44.79 2edp s LEU 86 CO 0.04 0.09 0.06 -0.54 -1.32 0.00 0.00 176.35 174.68 2edp s LYS 87 N -2.97 0.52 -0.03 1.98 1.02 -1.26 -0.85 119.74 118.14 2edp s LYS 87 Ca 0.27 -0.48 0.05 0.00 0.02 0.00 0.00 55.97 55.82 2edp s LYS 87 Cb -0.09 -1.94 -0.01 0.00 -0.52 0.00 0.00 37.83 35.28 2edp s LYS 87 CO 0.17 -0.74 -0.18 -0.51 -0.92 0.00 0.00 175.35 173.17 2edp s LEU 88 N 1.89 1.96 -0.46 3.17 1.43 -0.89 0.13 118.68 125.92 2edp s LEU 88 Ca 0.02 -0.35 0.01 0.00 -1.03 0.00 0.00 54.13 52.79 2edp s LEU 88 Cb -0.17 -0.98 0.12 0.00 0.03 0.00 0.00 46.19 45.20 2edp s LEU 88 CO -0.14 0.18 0.21 -0.63 0.23 0.00 0.00 176.35 176.20 2edp s ILE 89 N -0.12 2.82 -0.10 -0.59 1.09 -1.09 0.23 121.20 123.43 2edp s ILE 89 Ca -0.00 -2.69 -0.11 0.00 -1.10 0.00 0.00 60.65 56.74 2edp s ILE 89 Cb -0.10 -2.96 -0.05 0.00 -1.06 0.00 0.00 42.46 38.29 2edp s ILE 89 CO 0.01 -0.73 0.25 0.68 -0.10 0.00 0.00 174.94 175.06 2edp s VAL 90 N 0.42 5.32 -0.17 2.92 -7.23 -1.09 -3.87 120.40 116.70 2edp s VAL 90 Ca 0.13 0.46 -0.08 0.00 -1.81 0.00 0.00 61.98 60.68 2edp s VAL 90 Cb -0.22 -3.55 -0.04 0.00 0.56 0.00 0.00 36.38 33.13 2edp s VAL 90 CO -0.04 0.54 0.12 0.00 -0.31 0.00 0.00 175.10 175.41 2edp s ARG 91 N -0.58 3.88 -0.20 4.82 1.70 -1.09 -0.83 118.95 126.65 2edp s ARG 91 Ca 0.17 -0.22 -0.03 0.00 -0.47 0.00 0.00 55.73 55.18 2edp s ARG 91 Cb -0.13 -3.29 0.07 0.00 -0.57 0.00 0.00 34.95 31.02 2edp s ARG 91 CO 0.06 0.45 0.06 -0.98 -1.08 0.00 0.00 175.30 173.81 2edp s ARG 92 N -0.10 0.49 -0.21 3.89 1.70 -0.99 -3.66 118.95 120.08 2edp s ARG 92 Ca 0.09 -0.40 -0.36 0.00 -0.47 0.00 0.00 55.73 54.60 2edp s ARG 92 Cb -0.12 -1.98 -0.16 0.00 -0.57 0.00 0.00 34.95 32.12 2edp s ARG 92 CO 0.00 -0.70 1.09 0.54 -1.08 0.00 0.00 175.30 175.16 2edp n ARG 93 N 5.10 0.00 -2.55 3.89 1.74 -1.26 -3.95 116.66 119.64 2edp n ARG 93 Ca -0.08 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.60 2edp n ARG 93 Cb 0.47 -1.22 -0.05 0.00 -1.02 0.00 0.00 32.46 30.64 2edp n ARG 93 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2edp s ASN 94 N 1.26 7.36 0.29 0.55 2.20 -1.25 -4.93 114.94 120.42 2edp s ASN 94 Ca 0.80 2.18 0.02 0.00 -0.94 0.00 0.00 52.86 54.92 2edp s ASN 94 Cb -1.13 -2.62 0.70 0.00 -2.00 0.00 0.00 41.25 36.20 2edp s ASN 94 CO 0.57 -0.07 1.64 0.77 -2.94 0.00 0.00 177.10 177.07 2edp h SER 95 N 3.87 -0.06 -1.31 3.54 4.64 -1.88 -3.44 113.55 118.91 2edp h SER 95 Ca -0.46 0.20 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 2edp h SER 95 Cb 1.21 0.29 0.00 0.00 -0.31 0.00 0.00 62.40 63.59 2edp h SER 95 CO 0.67 -0.18 0.00 0.61 -0.87 0.00 0.00 176.83 177.06 2edp n GLY 96 N -1.39 4.26 0.00 -0.77 0.00 -1.26 -5.01 105.19 101.02 2edp n GLY 96 Ca 0.21 -1.54 0.07 0.00 0.00 0.00 0.00 46.02 44.77 2edp n GLY 96 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2edp n PRO 97 N 0.00 0.32 -3.90 1.61 -0.04 -1.26 -4.80 135.00 126.92 2edp n PRO 97 Ca 0.00 0.09 -0.10 0.00 -0.04 0.00 0.00 63.50 63.45 2edp n PRO 97 Cb 0.00 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 31.96 2edp n PRO 97 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2edp s SER 98 N -2.35 0.26 0.50 3.54 1.04 -1.26 -5.00 113.70 110.43 2edp s SER 98 Ca 0.18 -1.20 -0.22 0.00 0.48 0.00 0.00 55.95 55.19 2edp s SER 98 Cb 0.10 0.78 -0.06 0.00 0.10 0.00 0.00 66.02 66.94 2edp s SER 98 CO 0.21 -1.53 1.18 -0.94 0.98 0.00 0.00 173.24 173.13 2edp s SER 99 N -3.11 5.87 0.00 7.02 1.04 -1.26 -4.78 113.70 118.49 2edp s SER 99 Ca 0.20 2.33 0.00 0.00 0.48 0.00 0.00 55.95 58.96 2edp s SER 99 Cb -0.04 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.48 2edp s SER 99 CO 0.14 -1.12 0.00 0.61 0.98 0.00 0.00 173.24 173.84