#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 3.40 -0.04 1.61 0.15 -1.26 -5.02 113.70 112.53 2edp s SER 2 Ca 0.00 -0.66 -0.15 0.00 0.70 0.00 0.00 55.95 55.85 2edp s SER 2 Cb 0.00 -1.53 -0.09 0.00 -1.71 0.00 0.00 66.02 62.70 2edp s SER 2 CO 0.00 -0.02 0.60 0.28 1.20 0.00 0.00 173.24 175.31 2edp h SER 3 N 7.96 -0.37 0.00 5.45 0.02 -2.11 -3.50 113.55 121.00 2edp h SER 3 Ca -0.44 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 2edp h SER 3 Cb 1.14 0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.77 2edp h SER 3 CO 0.62 0.08 0.00 0.61 -1.14 0.00 0.00 176.83 177.01 2edp n GLY 4 N 0.57 3.84 3.59 -3.77 0.00 -1.26 -5.05 105.19 103.11 2edp n GLY 4 Ca -0.06 -0.85 -0.42 0.00 0.00 0.00 0.00 46.02 44.68 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 0.00 5.98 -0.16 1.61 0.01 -1.26 -4.80 113.70 115.07 2edp s SER 5 Ca 0.00 0.99 -0.04 0.00 1.31 0.00 0.00 55.95 58.21 2edp s SER 5 Cb 0.00 -2.53 -0.09 0.00 0.21 0.00 0.00 66.02 63.61 2edp s SER 5 CO 0.00 -1.70 -0.18 -1.54 0.41 0.00 0.00 173.24 170.23 2edp n SER 6 N 10.06 1.91 -3.17 2.44 3.41 -1.26 -5.00 113.62 122.01 2edp n SER 6 Ca 0.20 0.07 0.03 0.00 -0.26 0.00 0.00 58.87 58.91 2edp n SER 6 Cb 0.48 -0.38 -0.01 0.00 -0.26 0.00 0.00 64.21 64.03 2edp n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2edp s GLY 7 N -5.40 -1.03 -0.83 5.00 0.00 -1.26 -5.09 107.32 98.70 2edp s GLY 7 Ca -0.22 1.46 -0.31 0.00 0.00 0.00 0.00 44.72 45.65 2edp s GLY 7 CO 0.32 3.42 2.59 0.61 0.00 0.00 0.00 173.10 180.04 2edp n GLY 8 N 5.42 -0.28 3.75 0.20 0.00 -1.26 -4.87 105.19 108.15 2edp n GLY 8 Ca 0.01 1.03 -0.33 0.00 0.00 0.00 0.00 46.02 46.73 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 9.53 4.58 0.12 1.61 0.01 -1.26 -4.83 113.70 123.45 2edp s SER 9 Ca 1.26 2.13 0.10 0.00 1.31 0.00 0.00 55.95 60.75 2edp s SER 9 Cb -1.01 -2.56 -0.04 0.00 0.21 0.00 0.00 66.02 62.62 2edp s SER 9 CO 0.45 -2.00 -0.26 -0.36 0.41 0.00 0.00 173.24 171.48 2edp s PHE 10 N -2.27 2.22 -0.17 2.43 0.40 -1.26 -1.56 117.98 117.77 2edp s PHE 10 Ca 0.69 -0.39 -0.01 0.00 -0.60 0.00 0.00 56.93 56.63 2edp s PHE 10 Cb -0.24 -1.21 -0.00 0.00 0.51 0.00 0.00 43.02 42.08 2edp s PHE 10 CO 0.45 0.30 -0.13 -1.14 0.70 0.00 0.00 175.22 175.40 2edp s GLN 11 N -1.98 3.26 -0.37 0.44 0.74 -1.19 -4.94 119.66 115.62 2edp s GLN 11 Ca 0.13 -0.72 -0.18 0.00 0.05 0.00 0.00 55.36 54.64 2edp s GLN 11 Cb -0.10 -2.70 0.00 0.00 1.10 0.00 0.00 33.01 31.31 2edp s GLN 11 CO 0.05 -0.02 0.50 0.71 -0.55 0.00 0.00 175.29 175.99 2edp s TYR 12 N 0.92 3.17 -0.62 1.67 2.02 -1.26 -2.42 117.35 120.83 2edp s TYR 12 Ca -0.03 0.02 -0.13 0.00 -0.37 0.00 0.00 57.07 56.57 2edp s TYR 12 Cb -0.15 -2.95 0.16 0.00 -0.40 0.00 0.00 41.96 38.62 2edp s TYR 12 CO -0.01 -0.60 0.54 0.08 -1.57 0.00 0.00 175.55 173.98 2edp s VAL 13 N 2.36 4.95 -1.07 0.71 1.01 -0.15 -4.91 120.40 123.30 2edp s VAL 13 Ca 0.17 -2.00 -0.23 0.00 0.00 0.00 0.00 61.98 59.92 2edp s VAL 13 Cb -0.16 -4.15 -0.07 0.00 0.00 0.00 0.00 36.38 32.00 2edp s VAL 13 CO 0.14 -0.90 1.94 -2.16 0.00 0.00 0.00 175.10 174.12 2edp s PRO 14 N 0.96 2.52 -0.96 2.72 0.04 -1.25 -2.83 135.00 136.18 2edp s PRO 14 Ca 0.09 -0.81 -0.24 0.00 0.04 0.00 0.00 61.00 60.08 2edp s PRO 14 Cb -0.22 -5.17 -0.07 0.00 0.04 0.00 0.00 34.50 29.08 2edp s PRO 14 CO -0.02 -3.74 1.97 0.08 0.04 0.00 0.00 177.00 175.34 2edp s VAL 15 N 10.65 3.44 -0.71 -0.36 1.01 0.27 -4.81 120.40 129.89 2edp s VAL 15 Ca 0.69 -0.47 -0.23 0.00 0.00 0.00 0.00 61.98 61.98 2edp s VAL 15 Cb -0.03 -4.07 0.07 0.00 0.00 0.00 0.00 36.38 32.34 2edp s VAL 15 CO 0.07 -0.88 1.04 -1.58 0.00 0.00 0.00 175.10 173.76 2edp s GLN 16 N 7.03 3.19 0.55 2.72 0.74 -1.26 -2.74 119.66 129.90 2edp s GLN 16 Ca 0.71 -0.86 -0.18 0.00 0.05 0.00 0.00 55.36 55.08 2edp s GLN 16 Cb -0.06 -4.34 -0.05 0.00 1.10 0.00 0.00 33.01 29.66 2edp s GLN 16 CO 0.03 -1.88 1.07 -0.51 -0.55 0.00 0.00 175.29 173.46 2edp s LEU 17 N 4.19 3.66 -0.03 3.68 1.43 0.29 -4.88 118.68 127.02 2edp s LEU 17 Ca 0.26 1.94 -0.01 0.00 -1.03 0.00 0.00 54.13 55.30 2edp s LEU 17 Cb -0.14 -4.55 0.03 0.00 0.03 0.00 0.00 46.19 41.56 2edp s LEU 17 CO 0.08 -1.09 0.04 -1.10 0.23 0.00 0.00 176.35 174.52 2edp s GLN 18 N -3.63 -0.04 0.00 1.70 -0.21 -1.26 -2.20 119.66 114.02 2edp s GLN 18 Ca 0.67 0.24 0.00 0.00 0.02 0.00 0.00 55.36 56.29 2edp s GLN 18 Cb -0.18 -0.29 0.00 0.00 1.00 0.00 0.00 33.01 33.54 2edp s GLN 18 CO 0.29 -0.20 0.00 0.41 -2.12 0.00 0.00 175.29 173.67 2edp n GLY 19 N 4.41 3.80 0.00 3.09 0.00 -0.08 -5.01 105.19 111.40 2edp n GLY 19 Ca -0.23 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 44.85 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 2.79 3.22 -0.02 0.00 0.19 -4.78 105.19 106.59 2edp n GLY 20 Ca 0.00 -1.76 -0.34 0.00 0.00 0.00 0.00 46.02 43.92 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 0.49 -4.35 -2.09 4.61 0.00 -1.26 -4.62 120.51 113.28 2edp n ALA 21 Ca 0.00 -1.12 -0.42 0.00 0.00 0.00 0.00 53.44 51.90 2edp n ALA 21 Cb 0.00 -1.38 -0.03 0.00 0.00 0.00 0.00 19.45 18.04 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 -3.04 4.37 -0.02 0.00 0.04 -1.26 -5.09 135.00 130.00 2edp s PRO 22 Ca 0.50 2.04 -0.22 0.00 0.04 0.00 0.00 61.00 63.36 2edp s PRO 22 Cb -0.09 -3.22 -0.24 0.00 0.04 0.00 0.00 34.50 30.98 2edp s PRO 22 CO 0.68 -0.32 1.05 -1.49 0.04 0.00 0.00 177.00 176.97 2edp h TRP 23 N 5.98 0.46 -2.35 0.56 4.06 -1.96 -3.24 115.95 119.44 2edp h TRP 23 Ca -0.44 -0.25 0.00 0.00 2.06 0.00 0.00 58.89 60.26 2edp h TRP 23 Cb 1.21 -0.05 0.00 0.00 -1.00 0.00 0.00 29.16 29.32 2edp h TRP 23 CO 0.64 1.07 0.00 0.41 -3.56 0.00 0.00 178.44 177.00 2edp n GLY 24 N 1.10 0.57 3.64 1.49 0.00 -1.26 0.23 105.19 110.96 2edp n GLY 24 Ca -0.10 -0.37 -0.09 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 -2.78 -0.77 0.38 1.61 -0.12 -1.26 -2.46 117.98 112.58 2edp s PHE 25 Ca 0.00 1.70 0.04 0.00 -0.05 0.00 0.00 56.93 58.61 2edp s PHE 25 Cb 0.00 0.42 -0.01 0.00 -0.63 0.00 0.00 43.02 42.79 2edp s PHE 25 CO 0.00 -0.38 0.14 0.25 -0.05 0.00 0.00 175.22 175.18 2edp n THR 26 N 3.26 0.00 -4.03 -4.49 -2.24 0.14 -4.98 114.28 101.94 2edp n THR 26 Ca -0.16 -2.23 -0.08 0.00 -2.27 0.00 0.00 64.05 59.31 2edp n THR 26 Cb 0.57 0.80 -0.10 0.00 -2.10 0.00 0.00 70.33 69.50 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 2.23 0.00 3.22 1.43 -1.26 -1.46 118.68 122.84 2edp s LEU 27 Ca 0.19 -0.86 0.01 0.00 -1.03 0.00 0.00 54.13 52.45 2edp s LEU 27 Cb 0.01 0.36 -0.01 0.00 0.03 0.00 0.00 46.19 46.59 2edp s LEU 27 CO 0.14 -0.58 0.05 2.29 0.23 0.00 0.00 176.35 178.47 2edp n LYS 28 N 0.28 0.73 0.00 1.70 2.85 -1.03 -4.61 118.16 118.08 2edp n LYS 28 Ca -0.16 -3.53 0.00 0.00 -1.05 0.00 0.00 58.31 53.58 2edp n LYS 28 Cb 0.60 1.26 0.00 0.00 -0.65 0.00 0.00 35.03 36.25 2edp n LYS 28 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2edp n GLY 29 N -0.84 3.71 0.00 2.58 0.00 -1.26 -3.91 105.19 105.47 2edp n GLY 29 Ca -0.15 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 2.60 0.55 -0.02 0.00 -0.65 -4.63 105.19 103.05 2edp n GLY 30 Ca 0.00 -1.85 0.37 0.00 0.00 0.00 0.00 46.02 44.53 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 0.00 -0.55 0.99 5.85 -1.62 0.10 115.31 120.08 2edp h LEU 31 Ca 0.00 0.00 0.11 0.00 0.84 0.00 0.00 57.88 58.83 2edp h LEU 31 Cb 0.00 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 40.93 2edp h LEU 31 CO 0.00 0.00 -0.06 -0.33 -0.34 0.00 0.00 178.44 177.71 2edp h GLU 32 N 0.00 0.06 -0.31 1.25 5.08 -1.85 -1.71 114.58 117.10 2edp h GLU 32 Ca 0.59 -0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.85 2edp h GLU 32 Cb 2.54 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 31.71 2edp h GLU 32 CO -0.01 0.04 -0.03 0.72 -1.00 0.00 0.00 179.01 178.74 2edp n HIS 33 N -5.31 1.00 -4.03 4.33 8.25 0.28 -4.95 115.22 114.78 2edp n HIS 33 Ca 0.07 -1.27 -0.31 0.00 -0.26 0.00 0.00 57.72 55.95 2edp n HIS 33 Cb 0.30 -0.41 -0.01 0.00 1.12 0.00 0.00 29.99 31.00 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 -6.69 2.09 -0.47 0.00 2.02 -0.82 -4.94 118.70 109.89 2edp s GLU 35 Ca 0.49 -1.03 -0.28 0.00 0.02 0.00 0.00 54.97 54.18 2edp s GLU 35 Cb -0.26 -2.28 -0.02 0.00 0.10 0.00 0.00 34.13 31.68 2edp s GLU 35 CO 0.88 0.51 1.77 -1.25 0.02 0.00 0.00 175.26 177.20 2edp s PRO 36 N -2.10 3.04 -0.83 0.39 0.04 -1.26 -1.64 135.00 132.64 2edp s PRO 36 Ca 0.20 0.98 -0.23 0.00 0.04 0.00 0.00 61.00 61.99 2edp s PRO 36 Cb -0.11 -4.26 -0.18 0.00 0.04 0.00 0.00 34.50 29.99 2edp s PRO 36 CO 0.12 -2.22 2.35 -0.11 0.04 0.00 0.00 177.00 177.18 2edp n LEU 37 N 11.22 1.14 -4.32 -3.56 7.94 -1.26 -4.67 117.00 123.49 2edp n LEU 37 Ca 0.21 -1.34 -0.28 0.00 -1.11 0.00 0.00 56.01 53.49 2edp n LEU 37 Cb 0.49 -1.44 -0.14 0.00 0.53 0.00 0.00 43.42 42.86 2edp n LEU 37 CO 0.70 -2.44 -0.55 0.42 -1.11 0.00 0.00 177.39 174.41 2edp s THR 38 N 12.03 1.99 -0.35 1.96 -4.23 -1.25 -1.59 115.64 124.19 2edp s THR 38 Ca 1.00 -1.47 -0.37 0.00 -1.18 0.00 0.00 61.69 59.67 2edp s THR 38 Cb -0.27 -1.74 -0.16 0.00 1.34 0.00 0.00 72.50 71.67 2edp s THR 38 CO 0.18 0.19 1.24 0.52 -0.54 0.00 0.00 174.62 176.21 2edp n VAL 39 N 1.46 0.00 -0.08 2.29 0.31 0.13 -2.47 118.33 119.96 2edp n VAL 39 Ca -0.18 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 63.96 2edp n VAL 39 Cb 0.53 -0.35 -0.13 0.00 -0.91 0.00 0.00 33.84 32.98 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 2.97 2.03 -3.63 4.52 3.41 -0.53 -2.10 113.62 120.28 2edp n SER 40 Ca 0.24 0.01 -0.15 0.00 -0.26 0.00 0.00 58.87 58.71 2edp n SER 40 Cb -0.03 -0.59 -0.07 0.00 -0.26 0.00 0.00 64.21 63.25 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 -2.53 0.83 -0.26 4.33 2.36 -1.25 -4.93 119.74 118.29 2edp s LYS 41 Ca -0.31 0.42 -0.02 0.00 -2.55 0.00 0.00 55.97 53.52 2edp s LYS 41 Cb 0.08 0.39 0.08 0.00 -1.05 0.00 0.00 37.83 37.34 2edp s LYS 41 CO 0.65 -0.19 0.06 0.42 1.55 0.00 0.00 175.35 177.84 2edp s ILE 42 N -0.56 0.75 -0.23 5.43 1.01 -1.26 0.27 121.20 126.60 2edp s ILE 42 Ca -0.07 -1.03 -0.39 0.00 0.00 0.00 0.00 60.65 59.17 2edp s ILE 42 Cb -0.03 -1.40 -0.15 0.00 0.01 0.00 0.00 42.46 40.90 2edp s ILE 42 CO 0.05 -0.45 1.79 -0.62 0.00 0.00 0.00 174.94 175.71 2edp n GLU 43 N 4.93 1.43 -1.87 2.79 -0.58 -1.03 -4.85 120.64 121.47 2edp n GLU 43 Ca -0.06 0.53 -0.42 0.00 -0.42 0.00 0.00 57.16 56.79 2edp n GLU 43 Cb 0.44 -2.26 -0.03 0.00 -0.57 0.00 0.00 31.44 29.03 2edp n GLU 43 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2edp s ASP 44 N 3.75 6.56 0.00 1.62 -1.08 -1.26 -2.46 116.67 123.79 2edp s ASP 44 Ca 0.97 2.55 0.00 0.00 -0.52 0.00 0.00 52.55 55.55 2edp s ASP 44 Cb -0.97 -2.56 0.00 0.00 -1.46 0.00 0.00 42.92 37.93 2edp s ASP 44 CO 0.62 -0.92 0.00 0.61 0.52 0.00 0.00 175.17 176.00 2edp n GLY 45 N 4.07 2.95 1.16 2.66 0.00 -1.26 -5.06 105.19 109.71 2edp n GLY 45 Ca 0.16 -0.90 -0.07 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.26 0.08 -0.02 0.00 -1.03 -4.30 105.19 97.66 2edp n GLY 46 Ca 0.00 -0.74 -0.13 0.00 0.00 0.00 0.00 46.02 45.15 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 0.12 -0.73 1.61 1.79 -0.25 -0.28 116.57 118.83 2edp h LYS 47 Ca -0.09 -0.06 0.14 0.00 -2.18 0.00 0.00 60.65 58.46 2edp h LYS 47 Cb 0.31 -0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 30.86 2edp h LYS 47 CO 0.05 0.54 0.28 0.00 -1.08 0.00 0.00 179.45 179.24 2edp h ALA 48 N 0.57 1.01 0.09 3.86 0.00 -0.62 0.28 119.26 124.45 2edp h ALA 48 Ca 0.01 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 2edp h ALA 48 Cb 0.51 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2edp h ALA 48 CO 0.01 -0.22 -0.05 0.00 0.00 0.00 0.00 179.25 179.00 2edp h ALA 49 N 1.53 -0.13 -0.97 0.00 0.00 -1.74 -3.20 119.26 114.76 2edp h ALA 49 Ca 0.40 -0.26 0.16 0.00 0.00 0.00 0.00 54.91 55.21 2edp h ALA 49 Cb 0.59 0.05 -0.10 0.00 0.00 0.00 0.00 17.79 18.33 2edp h ALA 49 CO -0.40 -0.27 0.58 -0.07 0.00 0.00 0.00 179.25 179.10 2edp h LEU 50 N -0.74 0.77 -1.12 0.00 3.38 -0.63 0.38 115.31 117.35 2edp h LEU 50 Ca -0.01 0.08 0.08 0.00 0.09 0.00 0.00 57.88 58.12 2edp h LEU 50 Cb 0.56 -0.06 -0.06 0.00 0.09 0.00 0.00 40.66 41.19 2edp h LEU 50 CO 0.02 0.32 0.60 0.28 0.09 0.00 0.00 178.44 179.76 2edp h SER 51 N 0.80 0.91 -3.61 -0.43 0.02 -0.50 -3.46 113.55 107.28 2edp h SER 51 Ca 0.54 0.02 -0.39 0.00 -0.84 0.00 0.00 61.79 61.11 2edp h SER 51 Cb 0.74 -0.18 0.02 0.00 0.14 0.00 0.00 62.40 63.13 2edp h SER 51 CO -0.35 0.56 -0.55 0.00 -1.14 0.00 0.00 176.83 175.36 2edp n GLN 52 N -4.52 -3.29 -0.08 3.45 6.02 0.12 -4.88 117.38 114.21 2edp n GLN 52 Ca 0.15 0.91 -0.10 0.00 -0.01 0.00 0.00 57.00 57.95 2edp n GLN 52 Cb 0.24 -5.60 -0.12 0.00 1.02 0.00 0.00 30.24 25.79 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 -3.43 1.16 -4.16 -1.09 4.76 -1.26 -5.01 118.16 109.13 2edp n LYS 53 Ca -0.17 0.03 -0.16 0.00 -2.87 0.00 0.00 58.31 55.15 2edp n LYS 53 Cb 0.64 -1.40 -0.11 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 -2.39 0.80 0.25 1.97 0.23 -1.26 -5.00 119.30 113.90 2edp s MET 54 Ca -0.13 -1.03 -0.03 0.00 -1.03 0.00 0.00 55.69 53.46 2edp s MET 54 Cb 0.05 -0.61 -0.02 0.00 -1.53 0.00 0.00 34.83 32.72 2edp s MET 54 CO 0.59 0.11 0.29 1.03 -2.03 0.00 0.00 175.02 175.02 2edp s ARG 55 N -2.26 1.47 -0.13 3.16 1.81 -1.26 -4.80 118.95 116.94 2edp s ARG 55 Ca 0.01 -1.61 -0.36 0.00 -1.72 0.00 0.00 55.73 52.05 2edp s ARG 55 Cb -0.06 0.35 -0.13 0.00 -0.45 0.00 0.00 34.95 34.66 2edp s ARG 55 CO 0.01 -0.55 1.79 0.25 -0.68 0.00 0.00 175.30 176.12 2edp n THR 56 N -0.39 0.42 0.00 0.02 -2.24 -1.26 -2.13 114.28 108.70 2edp n THR 56 Ca 0.02 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 2edp n THR 56 Cb 0.64 -1.58 0.00 0.00 -2.10 0.00 0.00 70.33 67.29 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 4.17 1.63 3.69 3.38 0.00 -0.89 -4.98 105.19 112.19 2edp n GLY 57 Ca 0.23 -0.36 -0.37 0.00 0.00 0.00 0.00 46.02 45.52 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 1.57 -4.43 1.61 9.92 -0.91 -4.56 116.55 119.75 2edp n ASP 58 Ca 0.00 0.81 -0.44 0.00 -0.53 0.00 0.00 54.79 54.63 2edp n ASP 58 Cb 0.00 -1.50 -0.09 0.00 -0.64 0.00 0.00 41.12 38.90 2edp n ASP 58 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 2edp s GLU 59 N -3.18 2.99 -0.26 -1.24 2.12 -1.23 0.19 118.70 118.09 2edp s GLU 59 Ca 0.81 -1.12 -0.18 0.00 0.36 0.00 0.00 54.97 54.83 2edp s GLU 59 Cb -0.39 -4.04 -0.03 0.00 0.26 0.00 0.00 34.13 29.93 2edp s GLU 59 CO 0.43 -0.88 0.53 -1.17 -0.54 0.00 0.00 175.26 173.62 2edp s LEU 60 N 1.74 4.06 0.00 2.70 0.20 -0.62 -1.54 118.68 125.21 2edp s LEU 60 Ca 0.06 0.54 0.00 0.00 0.69 0.00 0.00 54.13 55.41 2edp s LEU 60 Cb -0.21 -2.69 0.00 0.00 -0.43 0.00 0.00 46.19 42.86 2edp s LEU 60 CO 0.09 -0.30 0.00 1.33 -0.29 0.00 0.00 176.35 177.18 2edp n VAL 61 N 5.17 0.00 -4.66 1.68 0.24 -1.24 -4.77 118.33 114.74 2edp n VAL 61 Ca -0.04 -0.18 -0.29 0.00 -2.04 0.00 0.00 64.34 61.79 2edp n VAL 61 Cb 0.50 0.68 -0.17 0.00 -1.47 0.00 0.00 33.84 33.37 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 -1.30 2.51 -0.03 -1.34 3.84 -1.25 -0.48 114.94 116.88 2edp s ASN 62 Ca 0.00 -0.45 0.02 0.00 0.21 0.00 0.00 52.86 52.64 2edp s ASN 62 Cb 0.00 -1.14 0.01 0.00 -0.55 0.00 0.00 41.25 39.57 2edp s ASN 62 CO 0.00 0.06 -0.08 -0.63 -2.79 0.00 0.00 177.10 173.65 2edp s ILE 63 N 0.77 0.76 -1.14 -5.21 1.01 -0.73 -2.37 121.20 114.28 2edp s ILE 63 Ca -0.11 -0.32 0.00 0.00 0.00 0.00 0.00 60.65 60.22 2edp s ILE 63 Cb -0.16 -0.70 0.00 0.00 0.01 0.00 0.00 42.46 41.62 2edp s ILE 63 CO 0.02 0.25 0.00 0.59 0.00 0.00 0.00 174.94 175.80 2edp n ASN 64 N 3.50 -3.48 0.00 3.58 3.02 0.31 0.34 115.26 122.53 2edp n ASN 64 Ca -0.20 0.25 0.00 0.00 -0.03 0.00 0.00 54.58 54.60 2edp n ASN 64 Cb 0.53 -3.12 0.00 0.00 -0.61 0.00 0.00 39.78 36.59 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 -0.51 0.44 2.96 7.41 0.00 -1.18 -4.86 105.19 109.45 2edp n GLY 65 Ca -0.13 -0.88 -0.28 0.00 0.00 0.00 0.00 46.02 44.72 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 1.28 -0.68 2.61 2.01 0.15 -5.08 115.64 113.93 2edp s THR 66 Ca 0.00 -0.45 -0.26 0.00 0.31 0.00 0.00 61.69 61.29 2edp s THR 66 Cb 0.00 -1.24 -0.03 0.00 0.01 0.00 0.00 72.50 71.24 2edp s THR 66 CO 0.00 0.41 1.89 -2.16 -0.69 0.00 0.00 174.62 174.07 2edp s PRO 67 N 1.58 2.60 1.18 4.92 0.04 -1.26 -1.78 135.00 142.29 2edp s PRO 67 Ca 0.04 0.39 -0.18 0.00 0.04 0.00 0.00 61.00 61.30 2edp s PRO 67 Cb -0.13 -4.56 0.22 0.00 0.04 0.00 0.00 34.50 30.07 2edp s PRO 67 CO -0.09 -2.90 0.44 1.28 0.04 0.00 0.00 177.00 175.77 2edp n LEU 68 N 13.08 -1.60 -2.11 -3.56 4.77 0.37 -4.97 117.00 122.97 2edp n LEU 68 Ca 0.25 -0.37 -0.04 0.00 -0.03 0.00 0.00 56.01 55.82 2edp n LEU 68 Cb 0.51 -0.96 0.05 0.00 -2.33 0.00 0.00 43.42 40.69 2edp n LEU 68 CO 0.68 -3.49 0.09 -1.22 -1.33 0.00 0.00 177.39 172.12 2edp n TYR 69 N -4.84 1.21 0.00 -1.77 4.02 -1.26 -4.99 117.16 109.54 2edp n TYR 69 Ca 0.05 -1.74 0.00 0.00 -0.01 0.00 0.00 57.90 56.19 2edp n TYR 69 Cb 0.53 -0.24 0.00 0.00 -0.02 0.00 0.00 39.34 39.61 2edp n TYR 69 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2edp n GLY 70 N -0.46 2.07 3.22 2.72 0.00 -1.26 -4.86 105.19 106.62 2edp n GLY 70 Ca 0.17 -0.31 -0.51 0.00 0.00 0.00 0.00 46.02 45.37 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 3.52 -0.38 0.10 1.61 2.88 -1.26 -2.42 113.62 117.68 2edp n SER 71 Ca 0.00 1.07 -0.10 0.00 -1.33 0.00 0.00 58.87 58.51 2edp n SER 71 Cb 0.00 -0.86 -0.06 0.00 -0.75 0.00 0.00 64.21 62.53 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 2.19 -0.32 0.00 -1.46 2.43 -1.91 -3.33 114.38 111.99 2edp h ARG 72 Ca -0.41 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.79 2edp h ARG 72 Cb 1.33 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.95 2edp h ARG 72 CO 0.58 0.01 0.00 1.04 -1.51 0.00 0.00 179.97 180.09 2edp n GLN 73 N -5.00 0.00 -0.25 0.20 3.00 -1.26 0.51 117.38 114.58 2edp n GLN 73 Ca -0.07 0.68 0.04 0.00 -0.01 0.00 0.00 57.00 57.63 2edp n GLN 73 Cb 0.24 -1.03 0.09 0.00 0.00 0.00 0.00 30.24 29.54 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 -2.54 -0.07 0.00 -1.09 2.13 -1.26 -0.09 120.64 117.73 2edp n GLU 74 Ca 0.00 1.07 0.00 0.00 0.66 0.00 0.00 57.16 58.89 2edp n GLU 74 Cb 0.00 -1.59 0.00 0.00 0.27 0.00 0.00 31.44 30.12 2edp n GLU 74 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2edp n ALA 75 N -3.74 -0.17 -0.27 4.31 0.00 0.18 -0.02 120.51 120.80 2edp n ALA 75 Ca 0.11 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.56 2edp n ALA 75 Cb 0.34 0.10 0.09 0.00 0.00 0.00 0.00 19.45 19.97 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 -0.76 -0.78 0.00 3.38 -0.75 0.33 115.31 116.73 2edp h LEU 76 Ca 0.00 0.23 0.11 0.00 0.09 0.00 0.00 57.88 58.31 2edp h LEU 76 Cb 0.00 0.49 -0.08 0.00 0.09 0.00 0.00 40.66 41.16 2edp h LEU 76 CO 0.00 -0.26 0.41 0.40 0.09 0.00 0.00 178.44 179.08 2edp h ILE 77 N -0.01 0.84 -0.26 1.22 2.04 -0.42 -1.99 117.51 118.93 2edp h ILE 77 Ca 0.37 -0.23 0.05 0.00 1.00 0.00 0.00 64.86 66.04 2edp h ILE 77 Cb 0.57 0.11 -0.04 0.00 -0.74 0.00 0.00 36.82 36.71 2edp h ILE 77 CO -0.80 0.12 -0.03 0.25 0.00 0.00 0.00 178.15 177.69 2edp h LEU 78 N 0.67 -0.16 -0.59 1.44 5.85 0.34 -2.56 115.31 120.30 2edp h LEU 78 Ca 0.39 0.07 0.11 0.00 0.84 0.00 0.00 57.88 59.29 2edp h LEU 78 Cb 0.44 0.13 -0.11 0.00 0.37 0.00 0.00 40.66 41.48 2edp h LEU 78 CO -0.29 -0.05 -0.26 0.40 -0.34 0.00 0.00 178.44 177.91 2edp h ILE 79 N 0.04 0.26 -1.22 4.05 2.04 -0.83 0.39 117.51 122.23 2edp h ILE 79 Ca 0.12 0.00 0.36 0.00 1.00 0.00 0.00 64.86 66.34 2edp h ILE 79 Cb 0.17 0.26 -0.05 0.00 -0.74 0.00 0.00 36.82 36.46 2edp h ILE 79 CO -0.23 0.00 1.23 0.11 0.00 0.00 0.00 178.15 179.26 2edp h LYS 80 N -0.11 0.00 -0.06 2.37 1.57 -1.34 1.39 116.57 120.39 2edp h LYS 80 Ca 0.26 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.80 2edp h LYS 80 Cb 0.52 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.84 2edp h LYS 80 CO -0.65 0.00 -0.92 0.78 -0.57 0.00 0.00 179.45 178.09 2edp h GLY 81 N 0.00 0.76 -3.04 3.86 0.00 -0.30 -3.46 103.07 100.89 2edp h GLY 81 Ca 0.58 -1.21 -0.41 0.00 0.00 0.00 0.00 47.33 46.29 2edp h GLY 81 CO -0.01 1.07 -0.35 1.44 0.00 0.00 0.00 176.54 178.70 2edp n SER 82 N -3.87 -0.86 0.00 0.19 7.64 0.48 -4.94 113.62 112.26 2edp n SER 82 Ca -0.09 0.68 0.00 0.00 1.01 0.00 0.00 58.87 60.47 2edp n SER 82 Cb 0.82 -0.58 0.00 0.00 -1.01 0.00 0.00 64.21 63.44 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 -0.06 0.00 0.00 1.43 3.72 -1.26 -4.91 117.46 116.38 2edp n PHE 83 Ca 0.11 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.51 2edp n PHE 83 Cb 0.16 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.70 2edp n PHE 83 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2edp n ARG 84 N -1.89 2.14 -5.00 -1.08 1.74 -1.26 -4.33 116.66 106.98 2edp n ARG 84 Ca 0.00 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.78 2edp n ARG 84 Cb 0.00 -0.83 -0.17 0.00 -1.02 0.00 0.00 32.46 30.45 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 -1.65 1.79 0.16 0.55 1.01 -1.26 0.54 121.20 122.34 2edp s ILE 85 Ca 0.00 -0.86 0.07 0.00 0.00 0.00 0.00 60.65 59.86 2edp s ILE 85 Cb 0.00 -1.57 -0.04 0.00 0.01 0.00 0.00 42.46 40.86 2edp s ILE 85 CO 0.00 0.50 0.01 -0.22 0.00 0.00 0.00 174.94 175.23 2edp s LEU 86 N 0.46 3.37 -0.13 2.97 2.96 -0.93 -4.94 118.68 122.45 2edp s LEU 86 Ca -0.17 -0.35 -0.02 0.00 -0.22 0.00 0.00 54.13 53.37 2edp s LEU 86 Cb -0.17 -2.03 0.04 0.00 0.50 0.00 0.00 46.19 44.53 2edp s LEU 86 CO 0.07 0.10 0.02 -0.54 -1.32 0.00 0.00 176.35 174.68 2edp s LYS 87 N -2.87 0.60 -0.04 1.98 1.02 -1.26 -0.55 119.74 118.62 2edp s LYS 87 Ca 0.27 -0.11 0.02 0.00 0.02 0.00 0.00 55.97 56.17 2edp s LYS 87 Cb -0.10 -1.47 0.02 0.00 -0.52 0.00 0.00 37.83 35.75 2edp s LYS 87 CO 0.19 -0.46 -0.06 -0.51 -0.92 0.00 0.00 175.35 173.59 2edp s LEU 88 N 1.94 1.51 -0.42 3.17 1.43 -1.11 0.11 118.68 125.32 2edp s LEU 88 Ca 0.03 -0.15 -0.04 0.00 -1.03 0.00 0.00 54.13 52.93 2edp s LEU 88 Cb -0.14 -0.48 0.11 0.00 0.03 0.00 0.00 46.19 45.70 2edp s LEU 88 CO -0.07 -0.01 0.23 -0.63 0.23 0.00 0.00 176.35 176.10 2edp s ILE 89 N 0.64 3.49 0.27 -0.59 1.09 -1.00 0.98 121.20 126.09 2edp s ILE 89 Ca -0.09 -1.97 -0.05 0.00 -1.10 0.00 0.00 60.65 57.44 2edp s ILE 89 Cb -0.12 -3.36 -0.05 0.00 -1.06 0.00 0.00 42.46 37.87 2edp s ILE 89 CO 0.01 -0.69 0.53 0.68 -0.10 0.00 0.00 174.94 175.37 2edp s VAL 90 N 1.20 5.04 -0.17 2.92 -7.23 -1.13 -3.73 120.40 117.30 2edp s VAL 90 Ca 0.07 0.04 0.01 0.00 -1.81 0.00 0.00 61.98 60.29 2edp s VAL 90 Cb -0.23 -3.72 0.02 0.00 0.56 0.00 0.00 36.38 33.00 2edp s VAL 90 CO -0.03 -0.28 -0.19 0.00 -0.31 0.00 0.00 175.10 174.29 2edp s ARG 91 N -3.45 2.81 -0.20 4.82 1.70 -0.59 -0.98 118.95 123.06 2edp s ARG 91 Ca 0.43 -0.76 -0.00 0.00 -0.47 0.00 0.00 55.73 54.94 2edp s ARG 91 Cb -0.11 -2.44 0.02 0.00 -0.57 0.00 0.00 34.95 31.85 2edp s ARG 91 CO 0.29 -0.21 -0.15 -0.98 -1.08 0.00 0.00 175.30 173.18 2edp s ARG 92 N 1.32 2.99 0.05 3.89 1.70 -1.02 -3.52 118.95 124.36 2edp s ARG 92 Ca 0.04 -0.85 -0.38 0.00 -0.47 0.00 0.00 55.73 54.08 2edp s ARG 92 Cb -0.13 -2.73 -0.17 0.00 -0.57 0.00 0.00 34.95 31.35 2edp s ARG 92 CO -0.12 -0.26 1.30 0.54 -1.08 0.00 0.00 175.30 175.69 2edp n ARG 93 N 4.65 0.90 -0.10 3.89 1.74 -1.26 -3.14 116.66 123.34 2edp n ARG 93 Ca -0.19 0.33 -0.07 0.00 -0.77 0.00 0.00 57.85 57.14 2edp n ARG 93 Cb 0.49 -1.94 -0.01 0.00 -1.02 0.00 0.00 32.46 29.98 2edp n ARG 93 CO 0.00 0.00 0.00 -2.95 -1.52 0.00 0.00 177.63 173.16 2edp h ASN 94 N 4.34 -0.87 -3.61 0.55 7.08 -1.61 -3.37 115.58 118.10 2edp h ASN 94 Ca -0.48 0.17 -0.68 0.00 -3.08 0.00 0.00 56.30 52.23 2edp h ASN 94 Cb 1.35 0.43 -0.30 0.00 -2.08 0.00 0.00 38.32 37.72 2edp h ASN 94 CO 0.76 -0.28 -0.68 -0.55 -2.08 0.00 0.00 177.43 174.59 2edp s SER 95 N -5.08 4.80 0.00 6.14 0.15 -1.26 -4.94 113.70 113.51 2edp s SER 95 Ca -0.15 -0.92 0.00 0.00 0.70 0.00 0.00 55.95 55.58 2edp s SER 95 Cb 0.14 -1.77 0.00 0.00 -1.71 0.00 0.00 66.02 62.68 2edp s SER 95 CO 0.69 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 175.54 2edp n GLY 96 N 4.74 -0.60 0.20 9.45 0.00 -1.26 -5.06 105.19 112.66 2edp n GLY 96 Ca -0.15 0.48 -0.13 0.00 0.00 0.00 0.00 46.02 46.22 2edp n GLY 96 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2edp h PRO 97 N 0.00 0.63 -1.85 1.61 0.13 -1.92 -3.47 132.00 127.14 2edp h PRO 97 Ca 0.00 -0.33 0.13 0.00 -0.87 0.00 0.00 66.00 64.93 2edp h PRO 97 Cb 0.00 0.01 -0.19 0.00 0.13 0.00 0.00 31.00 30.95 2edp h PRO 97 CO 0.00 0.93 0.59 -1.12 -0.23 0.00 0.00 178.00 178.16 2edp s SER 98 N -6.45 -0.31 -0.70 1.44 0.01 -1.26 -5.11 113.70 101.32 2edp s SER 98 Ca -0.13 0.14 -0.25 0.00 1.31 0.00 0.00 55.95 57.02 2edp s SER 98 Cb 0.08 0.30 0.05 0.00 0.21 0.00 0.00 66.02 66.66 2edp s SER 98 CO 0.81 -0.43 1.14 -0.94 0.41 0.00 0.00 173.24 174.23 2edp s SER 99 N -1.91 6.18 0.00 2.44 1.04 -1.26 -5.28 113.70 114.91 2edp s SER 99 Ca 0.04 -0.66 0.00 0.00 0.48 0.00 0.00 55.95 55.81 2edp s SER 99 Cb -0.01 -2.50 0.00 0.00 0.10 0.00 0.00 66.02 63.61 2edp s SER 99 CO -0.04 -1.66 0.00 0.61 0.98 0.00 0.00 173.24 173.13