#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 3.28 -0.02 1.61 0.01 -1.26 -5.12 113.70 112.20 2edp s SER 2 Ca 0.00 -1.09 -0.30 0.00 1.31 0.00 0.00 55.95 55.87 2edp s SER 2 Cb 0.00 -0.26 -0.03 0.00 0.21 0.00 0.00 66.02 65.94 2edp s SER 2 CO 0.00 -0.12 1.03 -0.55 0.41 0.00 0.00 173.24 174.01 2edp s SER 3 N -3.48 7.28 -0.46 2.44 0.15 -1.26 -4.99 113.70 113.38 2edp s SER 3 Ca 0.29 1.68 0.07 0.00 0.70 0.00 0.00 55.95 58.69 2edp s SER 3 Cb -0.01 -2.57 0.18 0.00 -1.71 0.00 0.00 66.02 61.91 2edp s SER 3 CO 0.13 -0.36 0.63 -0.83 1.20 0.00 0.00 173.24 174.02 2edp s GLY 4 N 1.07 -0.96 0.41 9.45 0.00 -1.26 -5.15 107.32 110.88 2edp s GLY 4 Ca 0.52 -0.39 0.07 0.00 0.00 0.00 0.00 44.72 44.92 2edp s GLY 4 CO 0.25 3.46 0.57 -1.35 0.00 0.00 0.00 173.10 176.04 2edp s SER 5 N 1.22 5.70 0.33 1.64 1.04 -1.26 -5.05 113.70 117.32 2edp s SER 5 Ca 0.24 -0.29 -0.29 0.00 0.48 0.00 0.00 55.95 56.09 2edp s SER 5 Cb -0.03 -0.86 -0.12 0.00 0.10 0.00 0.00 66.02 65.11 2edp s SER 5 CO -0.06 -0.72 1.35 -1.20 0.98 0.00 0.00 173.24 173.59 2edp n SER 6 N -1.86 2.97 0.00 7.02 7.64 -1.26 -4.84 113.62 123.29 2edp n SER 6 Ca 0.06 1.20 0.00 0.00 1.01 0.00 0.00 58.87 61.14 2edp n SER 6 Cb 0.59 -1.50 0.00 0.00 -1.01 0.00 0.00 64.21 62.29 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 1.00 2.09 0.00 0.23 0.00 -1.26 -5.12 105.19 102.13 2edp n GLY 7 Ca 0.05 -2.09 0.00 0.00 0.00 0.00 0.00 46.02 43.98 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 -1.30 3.41 3.33 -0.02 0.00 -1.26 -4.20 105.19 105.15 2edp n GLY 8 Ca 0.00 -0.13 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 2edp n GLY 8 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2edp s SER 9 N 0.00 3.15 0.51 1.61 1.04 -1.26 -4.93 113.70 113.82 2edp s SER 9 Ca 0.00 -0.49 -0.18 0.00 0.48 0.00 0.00 55.95 55.76 2edp s SER 9 Cb 0.00 -0.36 -0.13 0.00 0.10 0.00 0.00 66.02 65.63 2edp s SER 9 CO 0.00 0.30 0.06 0.49 0.98 0.00 0.00 173.24 175.07 2edp n PHE 10 N 2.24 -2.27 -4.54 5.02 3.72 -1.26 -4.45 117.46 115.91 2edp n PHE 10 Ca -0.16 0.46 -0.33 0.00 -0.05 0.00 0.00 57.45 57.37 2edp n PHE 10 Cb 0.51 -1.76 -0.11 0.00 -0.94 0.00 0.00 39.48 37.18 2edp n PHE 10 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 176.76 175.57 2edp s GLN 11 N -1.28 2.70 -0.27 -1.08 0.74 -0.95 -4.88 119.66 114.64 2edp s GLN 11 Ca 0.60 -0.59 -0.06 0.00 0.05 0.00 0.00 55.36 55.36 2edp s GLN 11 Cb -0.49 -2.58 -0.00 0.00 1.10 0.00 0.00 33.01 31.04 2edp s GLN 11 CO 0.63 0.65 0.04 0.71 -0.55 0.00 0.00 175.29 176.77 2edp s TYR 12 N -0.89 3.09 -0.65 1.67 1.51 -1.26 -1.24 117.35 119.58 2edp s TYR 12 Ca 0.14 -0.91 -0.11 0.00 -1.01 0.00 0.00 57.07 55.18 2edp s TYR 12 Cb -0.11 -2.20 0.17 0.00 -0.11 0.00 0.00 41.96 39.70 2edp s TYR 12 CO 0.04 -0.54 0.55 0.08 -1.11 0.00 0.00 175.55 174.57 2edp s VAL 13 N 1.50 4.82 -0.78 0.71 1.01 0.70 -4.92 120.40 123.44 2edp s VAL 13 Ca 0.04 -2.25 -0.25 0.00 0.00 0.00 0.00 61.98 59.52 2edp s VAL 13 Cb -0.16 -4.07 -0.04 0.00 0.00 0.00 0.00 36.38 32.12 2edp s VAL 13 CO 0.01 -0.91 1.91 -2.16 0.00 0.00 0.00 175.10 173.95 2edp s PRO 14 N 0.64 2.59 -0.50 2.72 0.04 -1.26 -2.78 135.00 136.45 2edp s PRO 14 Ca 0.12 0.10 -0.29 0.00 0.04 0.00 0.00 61.00 60.97 2edp s PRO 14 Cb -0.19 -4.77 0.02 0.00 0.04 0.00 0.00 34.50 29.60 2edp s PRO 14 CO -0.04 -3.10 1.28 0.08 0.04 0.00 0.00 177.00 175.26 2edp s VAL 15 N 9.64 4.00 -0.46 -0.36 1.01 0.51 -4.85 120.40 129.89 2edp s VAL 15 Ca 0.69 0.96 -0.13 0.00 0.00 0.00 0.00 61.98 63.50 2edp s VAL 15 Cb -0.09 -4.49 0.09 0.00 0.00 0.00 0.00 36.38 31.88 2edp s VAL 15 CO 0.08 -1.05 0.36 -1.58 0.00 0.00 0.00 175.10 172.91 2edp s GLN 16 N 4.92 2.81 0.81 2.72 0.74 -1.26 -1.19 119.66 129.21 2edp s GLN 16 Ca 0.51 -1.48 -0.12 0.00 0.05 0.00 0.00 55.36 54.33 2edp s GLN 16 Cb -0.10 -4.02 0.08 0.00 1.10 0.00 0.00 33.01 30.07 2edp s GLN 16 CO 0.29 -1.06 1.18 -0.51 -0.55 0.00 0.00 175.29 174.64 2edp s LEU 17 N 1.54 2.50 -0.21 3.68 1.43 0.11 -4.91 118.68 122.81 2edp s LEU 17 Ca 0.04 0.78 -0.12 0.00 -1.03 0.00 0.00 54.13 53.80 2edp s LEU 17 Cb -0.25 -3.27 0.07 0.00 0.03 0.00 0.00 46.19 42.77 2edp s LEU 17 CO 0.04 -1.91 0.52 -1.10 0.23 0.00 0.00 176.35 174.12 2edp s GLN 18 N -5.58 0.51 0.00 1.70 -0.21 -1.26 -3.04 119.66 111.79 2edp s GLN 18 Ca 0.62 0.97 0.00 0.00 0.02 0.00 0.00 55.36 56.97 2edp s GLN 18 Cb -0.11 0.07 0.00 0.00 1.00 0.00 0.00 33.01 33.97 2edp s GLN 18 CO 0.49 -0.16 0.00 0.41 -2.12 0.00 0.00 175.29 173.91 2edp n GLY 19 N 4.35 3.84 0.00 3.09 0.00 0.29 -4.99 105.19 111.77 2edp n GLY 19 Ca -0.21 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 44.88 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 2.46 3.08 -0.02 0.00 0.25 -4.71 105.19 106.25 2edp n GLY 20 Ca 0.00 -1.63 -0.37 0.00 0.00 0.00 0.00 46.02 44.02 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 1.43 -4.75 -1.36 4.61 0.00 -1.26 -4.70 120.51 114.49 2edp n ALA 21 Ca 0.00 -0.49 -0.32 0.00 0.00 0.00 0.00 53.44 52.64 2edp n ALA 21 Cb 0.00 -1.23 0.07 0.00 0.00 0.00 0.00 19.45 18.30 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 -1.69 2.47 -0.23 0.00 0.04 -1.26 -5.10 135.00 129.23 2edp s PRO 22 Ca 0.45 1.26 -0.08 0.00 0.04 0.00 0.00 61.00 62.67 2edp s PRO 22 Cb -0.28 -1.92 -0.11 0.00 0.04 0.00 0.00 34.50 32.23 2edp s PRO 22 CO 0.78 -1.49 -0.27 0.91 0.04 0.00 0.00 177.00 176.96 2edp n TRP 23 N -3.09 0.00 0.00 0.56 7.02 -1.26 -4.41 117.44 116.26 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 0.53 -0.84 0.00 0.00 -2.42 0.00 0.00 31.31 28.58 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 1.78 1.51 3.79 6.99 0.00 -1.26 0.11 105.19 118.10 2edp n GLY 24 Ca -0.44 -0.01 -0.36 0.00 0.00 0.00 0.00 46.02 45.21 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 -1.82 3.29 0.34 1.61 -0.12 -1.26 -1.79 117.98 118.23 2edp s PHE 25 Ca 0.00 1.65 0.06 0.00 -0.05 0.00 0.00 56.93 58.58 2edp s PHE 25 Cb 0.00 -3.07 -0.02 0.00 -0.63 0.00 0.00 43.02 39.30 2edp s PHE 25 CO 0.00 -0.50 0.20 0.25 -0.05 0.00 0.00 175.22 175.12 2edp n THR 26 N -0.17 0.00 -3.96 -4.49 -2.24 0.10 -4.96 114.28 98.57 2edp n THR 26 Ca 0.05 -2.25 -0.09 0.00 -2.27 0.00 0.00 64.05 59.50 2edp n THR 26 Cb 0.50 0.97 -0.09 0.00 -2.10 0.00 0.00 70.33 69.61 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 1.92 0.33 3.22 1.43 -1.26 -2.48 118.68 121.85 2edp s LEU 27 Ca 0.28 -0.63 0.06 0.00 -1.03 0.00 0.00 54.13 52.81 2edp s LEU 27 Cb 0.01 0.54 -0.03 0.00 0.03 0.00 0.00 46.19 46.74 2edp s LEU 27 CO 0.20 -0.54 0.25 -1.59 0.23 0.00 0.00 176.35 174.90 2edp s LYS 28 N -2.92 1.75 7.21 1.70 -2.85 -0.98 -4.67 119.74 118.97 2edp s LYS 28 Ca -0.02 -2.02 0.00 0.00 -1.00 0.00 0.00 55.97 52.93 2edp s LYS 28 Cb 0.01 0.20 0.00 0.00 -2.06 0.00 0.00 37.83 35.98 2edp s LYS 28 CO -0.06 -0.61 0.00 0.41 0.10 0.00 0.00 175.35 175.19 2edp n GLY 29 N -0.64 3.80 0.00 0.59 0.00 -1.26 -3.91 105.19 103.78 2edp n GLY 29 Ca 0.05 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.28 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 0.93 0.28 -0.02 0.00 -0.94 -4.60 105.19 100.84 2edp n GLY 30 Ca 0.00 -2.08 0.07 0.00 0.00 0.00 0.00 46.02 44.01 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 0.18 -0.89 0.99 5.85 -0.68 0.43 115.31 121.18 2edp h LEU 31 Ca 0.00 -0.00 0.25 0.00 0.84 0.00 0.00 57.88 58.96 2edp h LEU 31 Cb 0.00 -0.04 -0.15 0.00 0.37 0.00 0.00 40.66 40.84 2edp h LEU 31 CO 0.00 0.13 0.22 -0.33 -0.34 0.00 0.00 178.44 178.12 2edp h GLU 32 N 0.21 0.17 -0.28 1.25 3.07 -1.82 0.21 114.58 117.39 2edp h GLU 32 Ca 0.07 -0.01 -0.14 0.00 -0.50 0.00 0.00 59.36 58.78 2edp h GLU 32 Cb 0.02 -0.04 -0.09 0.00 -0.84 0.00 0.00 28.75 27.81 2edp h GLU 32 CO -0.01 0.11 -0.16 0.72 -1.40 0.00 0.00 179.01 178.27 2edp n HIS 33 N -5.26 0.87 -2.44 4.33 8.25 -0.95 -4.93 115.22 115.10 2edp n HIS 33 Ca 0.22 -1.57 -0.12 0.00 -0.26 0.00 0.00 57.72 55.99 2edp n HIS 33 Cb 0.72 -0.44 -0.01 0.00 1.12 0.00 0.00 29.99 31.38 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 -5.02 3.27 -0.67 0.00 2.02 0.15 -4.94 118.70 113.52 2edp s GLU 35 Ca 0.00 -0.38 -0.26 0.00 0.02 0.00 0.00 54.97 54.35 2edp s GLU 35 Cb 0.00 -3.00 -0.03 0.00 0.10 0.00 0.00 34.13 31.21 2edp s GLU 35 CO 0.00 0.67 1.88 -1.25 0.02 0.00 0.00 175.26 176.58 2edp s PRO 36 N -1.79 2.61 -0.94 0.39 0.04 -1.26 -2.20 135.00 131.85 2edp s PRO 36 Ca 0.24 0.44 -0.17 0.00 0.04 0.00 0.00 61.00 61.56 2edp s PRO 36 Cb -0.12 -4.51 -0.27 0.00 0.04 0.00 0.00 34.50 29.63 2edp s PRO 36 CO 0.16 -2.85 2.32 -0.11 0.04 0.00 0.00 177.00 176.55 2edp n LEU 37 N 12.99 -0.42 -4.43 -3.56 7.94 -1.26 -4.64 117.00 123.62 2edp n LEU 37 Ca 0.24 -0.54 -0.22 0.00 -1.11 0.00 0.00 56.01 54.39 2edp n LEU 37 Cb 0.51 -0.84 -0.10 0.00 0.53 0.00 0.00 43.42 43.52 2edp n LEU 37 CO 0.69 -1.48 -0.41 0.42 -1.11 0.00 0.00 177.39 175.50 2edp s THR 38 N 4.75 1.90 0.27 1.96 -4.23 -1.25 -3.09 115.64 115.95 2edp s THR 38 Ca 1.25 -2.21 -0.31 0.00 -1.18 0.00 0.00 61.69 59.24 2edp s THR 38 Cb -0.79 -2.33 -0.12 0.00 1.34 0.00 0.00 72.50 70.59 2edp s THR 38 CO 0.46 -0.39 1.51 0.52 -0.54 0.00 0.00 174.62 176.18 2edp n VAL 39 N -0.56 0.98 -0.09 2.29 0.31 -0.89 -2.32 118.33 118.05 2edp n VAL 39 Ca -0.06 -0.24 -0.11 0.00 -0.01 0.00 0.00 64.34 63.91 2edp n VAL 39 Cb 0.62 -1.73 -0.10 0.00 -0.91 0.00 0.00 33.84 31.71 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 2.18 1.93 -3.60 4.52 3.41 -1.03 -3.97 113.62 117.06 2edp n SER 40 Ca 0.10 -0.07 -0.15 0.00 -0.26 0.00 0.00 58.87 58.49 2edp n SER 40 Cb 0.34 0.16 -0.07 0.00 -0.26 0.00 0.00 64.21 64.38 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 -2.39 0.90 -0.29 4.33 2.47 -1.26 -4.97 119.74 118.53 2edp s LYS 41 Ca -0.19 0.79 -0.02 0.00 -1.56 0.00 0.00 55.97 54.99 2edp s LYS 41 Cb 0.06 0.43 0.09 0.00 -1.46 0.00 0.00 37.83 36.96 2edp s LYS 41 CO 0.53 -0.16 0.10 0.42 0.16 0.00 0.00 175.35 176.40 2edp s ILE 42 N -0.05 0.52 -0.35 5.43 1.01 -1.26 0.00 121.20 126.51 2edp s ILE 42 Ca -0.03 -1.07 -0.38 0.00 0.00 0.00 0.00 60.65 59.17 2edp s ILE 42 Cb -0.04 -1.35 -0.14 0.00 0.01 0.00 0.00 42.46 40.94 2edp s ILE 42 CO 0.03 -0.62 2.06 -0.62 0.00 0.00 0.00 174.94 175.79 2edp n GLU 43 N 5.00 0.94 -0.37 2.79 1.02 -0.74 -4.77 120.64 124.51 2edp n GLU 43 Ca -0.04 0.29 0.32 0.00 -0.02 0.00 0.00 57.16 57.71 2edp n GLU 43 Cb 0.43 -2.21 0.65 0.00 -0.02 0.00 0.00 31.44 30.29 2edp n GLU 43 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 2edp h ASP 44 N 10.43 0.20 1.28 1.62 1.82 -1.96 1.01 116.42 130.83 2edp h ASP 44 Ca -0.30 0.05 0.00 0.00 -0.39 0.00 0.00 57.03 56.40 2edp h ASP 44 Cb 1.34 0.03 0.00 0.00 0.68 0.00 0.00 39.33 41.37 2edp h ASP 44 CO 1.02 -0.00 -0.66 1.23 -1.61 0.00 0.00 179.24 179.21 2edp h GLY 45 N 0.16 0.00 -1.84 -0.78 0.00 -1.95 -3.38 103.07 95.27 2edp h GLY 45 Ca 0.65 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 47.45 2edp h GLY 45 CO -0.18 0.00 0.41 -0.32 0.00 0.00 0.00 176.54 176.45 2edp s GLY 46 N -4.24 2.41 0.35 4.60 0.00 0.35 -4.75 107.32 106.04 2edp s GLY 46 Ca 0.02 0.83 0.14 0.00 0.00 0.00 0.00 44.72 45.72 2edp s GLY 46 CO 0.75 1.22 1.73 0.50 0.00 0.00 0.00 173.10 177.30 2edp h LYS 47 N 0.13 0.45 -0.89 2.90 6.56 -0.54 0.42 116.57 125.60 2edp h LYS 47 Ca -0.48 -0.03 0.08 0.00 -1.06 0.00 0.00 60.65 59.16 2edp h LYS 47 Cb 1.28 -0.10 -0.06 0.00 -0.57 0.00 0.00 32.23 32.78 2edp h LYS 47 CO 0.52 0.30 0.57 0.00 -2.06 0.00 0.00 179.45 178.79 2edp h ALA 48 N 1.71 1.58 -0.16 3.86 0.00 -1.65 -1.19 119.26 123.41 2edp h ALA 48 Ca 0.65 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 55.35 2edp h ALA 48 Cb 1.44 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 19.00 2edp h ALA 48 CO -0.44 0.27 -0.68 0.00 0.00 0.00 0.00 179.25 178.40 2edp h ALA 49 N 1.54 0.30 -0.81 0.00 0.00 -0.30 -3.23 119.26 116.75 2edp h ALA 49 Ca 0.39 -0.56 0.02 0.00 0.00 0.00 0.00 54.91 54.76 2edp h ALA 49 Cb 0.29 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 2edp h ALA 49 CO -0.16 0.60 0.53 -0.07 0.00 0.00 0.00 179.25 180.15 2edp h LEU 50 N 0.45 0.90 -1.01 0.00 3.38 -0.73 -2.19 115.31 116.11 2edp h LEU 50 Ca -0.04 -0.02 0.11 0.00 0.09 0.00 0.00 57.88 58.03 2edp h LEU 50 Cb 1.31 -0.22 -0.08 0.00 0.09 0.00 0.00 40.66 41.76 2edp h LEU 50 CO 0.14 0.64 0.64 -1.28 0.09 0.00 0.00 178.44 178.67 2edp h SER 51 N 1.06 0.94 -2.18 -0.43 0.87 -1.27 -3.45 113.55 109.10 2edp h SER 51 Ca 0.31 0.04 -0.39 0.00 -1.23 0.00 0.00 61.79 60.52 2edp h SER 51 Cb -0.08 -0.15 -0.06 0.00 -0.44 0.00 0.00 62.40 61.67 2edp h SER 51 CO -0.08 0.51 -0.45 0.00 -0.53 0.00 0.00 176.83 176.28 2edp n GLN 52 N -4.60 -1.48 -0.08 2.24 1.13 -0.83 -4.85 117.38 108.91 2edp n GLN 52 Ca 0.19 1.01 -0.07 0.00 -1.94 0.00 0.00 57.00 56.19 2edp n GLN 52 Cb 0.34 -5.50 -0.14 0.00 0.11 0.00 0.00 30.24 25.05 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 -2.72 1.07 -4.37 -1.09 4.76 -1.26 -5.01 118.16 109.54 2edp n LYS 53 Ca -0.22 -0.03 -0.19 0.00 -2.87 0.00 0.00 58.31 55.00 2edp n LYS 53 Cb 0.66 -1.45 -0.10 0.00 -1.84 0.00 0.00 35.03 32.30 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 -2.52 1.38 -0.05 1.97 0.23 -1.26 -4.99 119.30 114.06 2edp s MET 54 Ca -0.08 -1.63 -0.30 0.00 -1.03 0.00 0.00 55.69 52.65 2edp s MET 54 Cb 0.06 -1.15 0.09 0.00 -1.53 0.00 0.00 34.83 32.30 2edp s MET 54 CO 0.73 0.16 0.78 0.50 -2.03 0.00 0.00 175.02 175.17 2edp s ARG 55 N -3.65 0.93 -0.71 3.16 3.52 -1.26 -4.88 118.95 116.06 2edp s ARG 55 Ca 0.24 0.08 -0.34 0.00 -0.13 0.00 0.00 55.73 55.58 2edp s ARG 55 Cb -0.00 0.44 -0.19 0.00 -1.56 0.00 0.00 34.95 33.63 2edp s ARG 55 CO 0.08 -0.32 2.25 0.25 -0.81 0.00 0.00 175.30 176.75 2edp n THR 56 N 0.58 0.00 0.00 4.11 -2.24 -1.26 -2.04 114.28 113.43 2edp n THR 56 Ca -0.15 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 2edp n THR 56 Cb 0.59 -0.46 0.00 0.00 -2.10 0.00 0.00 70.33 68.36 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 6.44 0.20 3.90 3.38 0.00 -1.25 -5.02 105.19 112.84 2edp n GLY 57 Ca 0.56 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.30 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 0.00 6.42 -0.39 1.61 1.01 -0.87 -4.90 116.67 119.55 2edp s ASP 58 Ca 0.00 0.86 -0.09 0.00 0.71 0.00 0.00 52.55 54.03 2edp s ASP 58 Cb 0.00 -2.21 0.06 0.00 1.01 0.00 0.00 42.92 41.78 2edp s ASP 58 CO 0.00 -0.35 0.22 -0.70 0.21 0.00 0.00 175.17 174.55 2edp s GLU 59 N -3.96 2.67 -0.38 8.23 2.12 -1.23 -2.08 118.70 124.07 2edp s GLU 59 Ca 0.46 -1.30 -0.22 0.00 0.36 0.00 0.00 54.97 54.27 2edp s GLU 59 Cb -0.10 -3.72 0.01 0.00 0.26 0.00 0.00 34.13 30.58 2edp s GLU 59 CO 0.34 -0.83 0.72 -1.17 -0.54 0.00 0.00 175.26 173.78 2edp s LEU 60 N 1.46 4.22 -0.00 2.70 0.20 -1.18 -2.09 118.68 123.99 2edp s LEU 60 Ca 0.02 0.16 0.05 0.00 0.69 0.00 0.00 54.13 55.04 2edp s LEU 60 Cb -0.21 -2.91 -0.06 0.00 -0.43 0.00 0.00 46.19 42.57 2edp s LEU 60 CO 0.04 -0.71 0.14 1.33 -0.29 0.00 0.00 176.35 176.85 2edp n VAL 61 N 5.77 0.00 -4.01 1.68 0.24 -1.24 -4.87 118.33 115.91 2edp n VAL 61 Ca 0.01 -0.22 -0.30 0.00 -2.04 0.00 0.00 64.34 61.79 2edp n VAL 61 Cb 0.48 0.63 -0.16 0.00 -1.47 0.00 0.00 33.84 33.32 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 -2.11 3.12 -0.18 -1.34 3.84 -1.25 -0.19 114.94 116.84 2edp s ASN 62 Ca -0.00 -0.73 -0.00 0.00 0.21 0.00 0.00 52.86 52.34 2edp s ASN 62 Cb 0.03 -1.22 0.01 0.00 -0.55 0.00 0.00 41.25 39.52 2edp s ASN 62 CO 0.19 -0.11 -0.16 -0.63 -2.79 0.00 0.00 177.10 173.60 2edp s ILE 63 N 1.43 2.40 -1.54 -5.21 1.01 -0.73 -2.13 121.20 116.42 2edp s ILE 63 Ca 0.01 -0.83 -0.00 0.00 0.00 0.00 0.00 60.65 59.83 2edp s ILE 63 Cb -0.15 -2.03 0.00 0.00 0.01 0.00 0.00 42.46 40.30 2edp s ILE 63 CO -0.09 0.51 0.03 0.59 0.00 0.00 0.00 174.94 175.98 2edp n ASN 64 N 4.57 -5.28 0.00 3.58 3.02 0.50 -0.37 115.26 121.28 2edp n ASN 64 Ca -0.20 0.03 0.00 0.00 -0.03 0.00 0.00 54.58 54.38 2edp n ASN 64 Cb 0.50 -4.41 0.00 0.00 -0.61 0.00 0.00 39.78 35.27 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 -0.98 0.54 3.37 7.41 0.00 -1.15 -4.86 105.19 109.53 2edp n GLY 65 Ca -0.21 -0.17 -0.40 0.00 0.00 0.00 0.00 46.02 45.25 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 4.45 -0.34 2.61 2.01 0.50 -5.05 115.64 117.81 2edp s THR 66 Ca 0.00 -0.79 -0.29 0.00 0.31 0.00 0.00 61.69 60.92 2edp s THR 66 Cb 0.00 -3.43 -0.01 0.00 0.01 0.00 0.00 72.50 69.07 2edp s THR 66 CO 0.00 -0.15 1.69 -2.16 -0.69 0.00 0.00 174.62 173.31 2edp s PRO 67 N 1.54 3.43 0.55 4.92 0.04 -1.26 -1.78 135.00 142.45 2edp s PRO 67 Ca 0.02 1.33 -0.06 0.00 0.04 0.00 0.00 61.00 62.33 2edp s PRO 67 Cb -0.19 -4.14 0.12 0.00 0.04 0.00 0.00 34.50 30.33 2edp s PRO 67 CO 0.06 -1.74 0.76 1.28 0.04 0.00 0.00 177.00 177.39 2edp n LEU 68 N 9.78 0.00 0.00 -3.56 4.77 0.74 -5.02 117.00 123.71 2edp n LEU 68 Ca 0.21 -1.12 0.00 0.00 -0.03 0.00 0.00 56.01 55.07 2edp n LEU 68 Cb 0.47 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 2edp n LEU 68 CO 0.69 -0.97 -0.38 -1.22 -1.33 0.00 0.00 177.39 174.17 2edp n TYR 69 N -2.79 0.00 0.00 -1.77 4.01 -1.26 -4.96 117.16 110.39 2edp n TYR 69 Ca 0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.85 2edp n TYR 69 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.40 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 2.88 0.50 3.30 2.72 0.00 -1.26 -4.98 105.19 108.34 2edp n GLY 70 Ca 0.00 -0.02 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 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 -3.16 -0.04 1.61 3.41 -1.26 -0.28 113.62 113.89 2edp n SER 71 Ca 0.00 0.27 -0.04 0.00 -0.26 0.00 0.00 58.87 58.84 2edp n SER 71 Cb 0.00 -1.07 -0.01 0.00 -0.26 0.00 0.00 64.21 62.86 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 -0.55 0.27 -0.07 4.33 0.63 -1.26 -4.30 116.66 115.71 2edp n ARG 72 Ca 0.04 0.25 -0.02 0.00 -0.92 0.00 0.00 57.85 57.20 2edp n ARG 72 Cb 0.55 -1.13 -0.02 0.00 0.45 0.00 0.00 32.46 32.31 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 -3.56 -0.07 -0.31 -0.14 3.00 -1.26 -0.39 117.38 114.65 2edp n GLN 73 Ca -0.06 0.87 -0.05 0.00 -0.01 0.00 0.00 57.00 57.75 2edp n GLN 73 Cb 0.22 -1.29 -0.03 0.00 0.00 0.00 0.00 30.24 29.14 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 -3.24 -0.27 0.00 -1.09 2.13 -1.26 0.58 120.64 117.48 2edp n GLU 74 Ca 0.00 1.18 0.00 0.00 0.66 0.00 0.00 57.16 59.00 2edp n GLU 74 Cb 0.04 -1.74 0.00 0.00 0.27 0.00 0.00 31.44 30.01 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 -3.49 -0.14 -0.13 4.31 0.00 0.48 -0.98 120.51 120.56 2edp n ALA 75 Ca 0.04 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.37 2edp n ALA 75 Cb 0.25 0.16 -0.08 0.00 0.00 0.00 0.00 19.45 19.78 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 -1.56 -1.55 0.00 3.38 -0.65 0.30 115.31 115.23 2edp h LEU 76 Ca 0.00 0.21 0.46 0.00 0.09 0.00 0.00 57.88 58.64 2edp h LEU 76 Cb 0.00 0.64 -0.12 0.00 0.09 0.00 0.00 40.66 41.27 2edp h LEU 76 CO 0.00 -0.33 0.97 0.40 0.09 0.00 0.00 178.44 179.57 2edp h ILE 77 N -0.31 0.10 -0.35 1.22 2.04 0.14 0.85 117.51 121.19 2edp h ILE 77 Ca 0.06 -0.02 -0.02 0.00 1.00 0.00 0.00 64.86 65.88 2edp h ILE 77 Cb 0.48 0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.59 2edp h ILE 77 CO -0.51 0.01 0.13 0.25 0.00 0.00 0.00 178.15 178.03 2edp h LEU 78 N 0.05 0.48 -1.03 1.44 5.85 0.14 -2.80 115.31 119.45 2edp h LEU 78 Ca 0.84 -0.18 0.12 0.00 0.84 0.00 0.00 57.88 59.50 2edp h LEU 78 Cb 2.83 -0.13 -0.08 0.00 0.37 0.00 0.00 40.66 43.65 2edp h LEU 78 CO -0.33 0.53 0.63 0.40 -0.34 0.00 0.00 178.44 179.33 2edp h ILE 79 N 0.41 0.93 -1.14 4.05 2.04 0.97 -0.25 117.51 124.52 2edp h ILE 79 Ca 0.11 -0.34 0.33 0.00 1.00 0.00 0.00 64.86 65.96 2edp h ILE 79 Cb 0.20 -0.15 -0.05 0.00 -0.74 0.00 0.00 36.82 36.08 2edp h ILE 79 CO -0.01 0.18 0.81 0.11 0.00 0.00 0.00 178.15 179.24 2edp h LYS 80 N 0.99 0.05 0.00 2.37 1.57 -1.30 0.83 116.57 121.08 2edp h LYS 80 Ca 0.49 -0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 59.18 2edp h LYS 80 Cb 0.48 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 2edp h LYS 80 CO -0.26 0.03 -0.44 0.78 -0.57 0.00 0.00 179.45 178.99 2edp h GLY 81 N 0.05 0.00 -3.15 3.86 0.00 -1.13 -3.47 103.07 99.24 2edp h GLY 81 Ca 0.55 0.00 -0.43 0.00 0.00 0.00 0.00 47.33 47.46 2edp h GLY 81 CO -0.05 0.00 -0.42 -1.14 0.00 0.00 0.00 176.54 174.93 2edp n SER 82 N -3.39 -1.11 0.00 0.19 3.41 0.29 -4.94 113.62 108.07 2edp n SER 82 Ca 0.01 0.68 0.00 0.00 -0.26 0.00 0.00 58.87 59.30 2edp n SER 82 Cb 0.61 -0.61 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 2edp n SER 82 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 2edp n PHE 83 N -0.18 0.00 0.00 7.33 7.35 -1.26 -4.82 117.46 125.87 2edp n PHE 83 Ca 0.11 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.80 2edp n PHE 83 Cb 0.19 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.02 2edp n PHE 83 CO 0.00 0.00 0.00 -2.13 -0.76 0.00 0.00 176.76 173.87 2edp n ARG 84 N -1.85 0.00 -4.54 -4.13 0.63 -1.26 -4.35 116.66 101.16 2edp n ARG 84 Ca 0.00 0.00 -0.34 0.00 -0.92 0.00 0.00 57.85 56.59 2edp n ARG 84 Cb 0.00 -0.48 -0.12 0.00 0.45 0.00 0.00 32.46 32.31 2edp n ARG 84 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 2edp s ILE 85 N -1.77 3.69 -0.01 5.15 1.01 -1.26 0.87 121.20 128.88 2edp s ILE 85 Ca 0.00 -0.45 0.05 0.00 0.00 0.00 0.00 60.65 60.25 2edp s ILE 85 Cb 0.00 -2.57 -0.03 0.00 0.01 0.00 0.00 42.46 39.87 2edp s ILE 85 CO 0.00 0.54 -0.14 -0.22 0.00 0.00 0.00 174.94 175.11 2edp s LEU 86 N -0.06 2.77 -0.16 2.97 2.96 -1.17 -4.95 118.68 121.04 2edp s LEU 86 Ca 0.00 -0.27 0.00 0.00 -0.22 0.00 0.00 54.13 53.65 2edp s LEU 86 Cb -0.13 -1.59 0.04 0.00 0.50 0.00 0.00 46.19 45.00 2edp s LEU 86 CO 0.03 0.30 -0.09 -0.54 -1.32 0.00 0.00 176.35 174.73 2edp s LYS 87 N -1.11 1.82 -0.00 1.98 1.02 -1.26 0.05 119.74 122.24 2edp s LYS 87 Ca 0.14 -0.58 0.03 0.00 0.02 0.00 0.00 55.97 55.58 2edp s LYS 87 Cb -0.11 -2.09 -0.01 0.00 -0.52 0.00 0.00 37.83 35.10 2edp s LYS 87 CO 0.04 -0.36 -0.11 -0.51 -0.92 0.00 0.00 175.35 173.48 2edp s LEU 88 N 1.54 2.04 -0.34 3.17 1.43 -0.34 0.19 118.68 126.38 2edp s LEU 88 Ca 0.02 -0.23 0.04 0.00 -1.03 0.00 0.00 54.13 52.93 2edp s LEU 88 Cb -0.15 -0.55 0.10 0.00 0.03 0.00 0.00 46.19 45.62 2edp s LEU 88 CO -0.09 0.11 0.04 -0.63 0.23 0.00 0.00 176.35 176.02 2edp s ILE 89 N -0.34 2.22 -0.01 -0.59 1.09 -0.91 0.19 121.20 122.86 2edp s ILE 89 Ca 0.04 -2.28 -0.07 0.00 -1.10 0.00 0.00 60.65 57.23 2edp s ILE 89 Cb -0.05 -2.63 -0.05 0.00 -1.06 0.00 0.00 42.46 38.67 2edp s ILE 89 CO -0.00 -0.58 0.26 0.68 -0.10 0.00 0.00 174.94 175.20 2edp s VAL 90 N 0.94 5.31 -0.12 2.92 -7.23 -1.12 -3.68 120.40 117.42 2edp s VAL 90 Ca 0.10 0.20 -0.03 0.00 -1.81 0.00 0.00 61.98 60.44 2edp s VAL 90 Cb -0.19 -3.56 -0.03 0.00 0.56 0.00 0.00 36.38 33.16 2edp s VAL 90 CO -0.08 0.40 -0.01 0.00 -0.31 0.00 0.00 175.10 175.10 2edp s ARG 91 N -1.65 3.32 -0.04 4.82 1.70 -0.89 -0.21 118.95 125.99 2edp s ARG 91 Ca 0.26 -0.45 0.02 0.00 -0.47 0.00 0.00 55.73 55.09 2edp s ARG 91 Cb -0.13 -2.87 0.01 0.00 -0.57 0.00 0.00 34.95 31.39 2edp s ARG 91 CO 0.15 0.50 -0.07 -0.98 -1.08 0.00 0.00 175.30 173.81 2edp s ARG 92 N -0.31 0.96 0.17 3.89 1.70 -0.37 -3.53 118.95 121.45 2edp s ARG 92 Ca 0.06 -0.21 -0.26 0.00 -0.47 0.00 0.00 55.73 54.85 2edp s ARG 92 Cb -0.12 -0.90 -0.16 0.00 -0.57 0.00 0.00 34.95 33.20 2edp s ARG 92 CO 0.02 0.00 0.52 0.54 -1.08 0.00 0.00 175.30 175.30 2edp n ARG 93 N 3.72 0.00 -4.38 3.89 1.74 -1.26 -2.24 116.66 118.14 2edp n ARG 93 Ca -0.22 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.52 2edp n ARG 93 Cb 0.52 -0.95 -0.09 0.00 -1.02 0.00 0.00 32.46 30.92 2edp n ARG 93 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 2edp s ASN 94 N -0.84 5.03 0.57 0.55 3.84 -1.26 -4.71 114.94 118.13 2edp s ASN 94 Ca 0.60 0.02 -0.18 0.00 0.21 0.00 0.00 52.86 53.52 2edp s ASN 94 Cb -0.87 -1.32 -0.10 0.00 -0.55 0.00 0.00 41.25 38.40 2edp s ASN 94 CO 0.51 0.32 0.30 -0.24 -2.79 0.00 0.00 177.10 175.20 2edp n SER 95 N 1.74 -1.96 0.00 -4.21 2.88 -1.26 -4.74 113.62 106.07 2edp n SER 95 Ca -0.16 0.69 0.00 0.00 -1.33 0.00 0.00 58.87 58.06 2edp n SER 95 Cb 0.53 -1.07 0.00 0.00 -0.75 0.00 0.00 64.21 62.92 2edp n SER 95 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2edp n GLY 96 N 2.03 -1.56 2.46 0.46 0.00 -1.26 -4.33 105.19 102.99 2edp n GLY 96 Ca 0.10 0.69 -0.21 0.00 0.00 0.00 0.00 46.02 46.60 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 -2.52 -4.50 1.61 -0.04 -1.26 -4.84 135.00 123.45 2edp n PRO 97 Ca 0.00 -1.23 -0.24 0.00 -0.04 0.00 0.00 63.50 61.99 2edp n PRO 97 Cb 0.00 -1.15 -0.10 0.00 -0.04 0.00 0.00 33.50 32.20 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 -3.58 3.34 -1.39 3.54 1.04 -1.26 -4.62 113.70 110.78 2edp s SER 98 Ca 0.50 -1.21 -0.14 0.00 0.48 0.00 0.00 55.95 55.58 2edp s SER 98 Cb -0.05 -0.28 0.14 0.00 0.10 0.00 0.00 66.02 65.94 2edp s SER 98 CO 0.38 -0.27 0.36 -1.54 0.98 0.00 0.00 173.24 173.15 2edp n SER 99 N -0.72 -0.93 0.00 7.02 3.41 -1.26 -5.17 113.62 115.98 2edp n SER 99 Ca -0.05 -0.97 0.00 0.00 -0.26 0.00 0.00 58.87 57.59 2edp n SER 99 Cb 0.64 -1.23 0.00 0.00 -0.26 0.00 0.00 64.21 63.36 2edp n SER 99 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49