#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 7.02 -0.30 1.61 0.01 -1.26 -5.00 113.70 115.78 2edp s SER 2 Ca 0.00 1.68 0.03 0.00 1.31 0.00 0.00 55.95 58.97 2edp s SER 2 Cb 0.00 -2.55 0.08 0.00 0.21 0.00 0.00 66.02 63.77 2edp s SER 2 CO 0.00 -0.67 -0.01 -0.94 0.41 0.00 0.00 173.24 172.03 2edp s SER 3 N 1.65 4.49 0.00 2.44 1.04 -1.26 -5.05 113.70 117.00 2edp s SER 3 Ca 0.53 -1.74 0.00 0.00 0.48 0.00 0.00 55.95 55.23 2edp s SER 3 Cb -0.22 -1.49 0.00 0.00 0.10 0.00 0.00 66.02 64.42 2edp s SER 3 CO 0.16 -0.30 0.00 0.61 0.98 0.00 0.00 173.24 174.69 2edp n GLY 4 N 4.41 0.39 3.56 7.32 0.00 -1.26 -5.07 105.19 114.55 2edp n GLY 4 Ca -0.05 -1.67 -0.41 0.00 0.00 0.00 0.00 46.02 43.89 2edp n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2edp s SER 5 N -4.00 6.34 0.23 1.61 0.15 -1.26 -5.06 113.70 111.71 2edp s SER 5 Ca 0.00 0.02 -0.09 0.00 0.70 0.00 0.00 55.95 56.58 2edp s SER 5 Cb 0.00 -2.28 -0.07 0.00 -1.71 0.00 0.00 66.02 61.96 2edp s SER 5 CO 0.00 -0.50 0.54 -0.44 1.20 0.00 0.00 173.24 174.04 2edp s SER 6 N 1.76 6.60 -0.44 5.45 0.01 -1.26 -5.05 113.70 120.77 2edp s SER 6 Ca 0.20 0.88 0.07 0.00 1.31 0.00 0.00 55.95 58.41 2edp s SER 6 Cb -0.15 -2.21 0.25 0.00 0.21 0.00 0.00 66.02 64.12 2edp s SER 6 CO 0.13 -0.07 0.73 0.61 0.41 0.00 0.00 173.24 175.05 2edp n GLY 7 N -0.17 1.36 0.00 3.44 0.00 -1.26 -5.04 105.19 103.52 2edp n GLY 7 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 1.47 1.10 3.45 -0.02 0.00 -1.26 -5.18 105.19 104.76 2edp n GLY 8 Ca 0.15 0.03 -0.23 0.00 0.00 0.00 0.00 46.02 45.96 2edp n GLY 8 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2edp s SER 9 N 0.00 3.36 -0.09 1.61 0.15 -1.26 -5.15 113.70 112.31 2edp s SER 9 Ca 0.00 -1.06 -0.14 0.00 0.70 0.00 0.00 55.95 55.44 2edp s SER 9 Cb 0.00 -0.27 0.03 0.00 -1.71 0.00 0.00 66.02 64.08 2edp s SER 9 CO 0.00 -0.06 0.36 -0.36 1.20 0.00 0.00 173.24 174.37 2edp s PHE 10 N -2.65 -0.32 -0.39 3.44 0.40 -1.26 -4.15 117.98 113.04 2edp s PHE 10 Ca 0.29 0.71 -0.11 0.00 -0.60 0.00 0.00 56.93 57.22 2edp s PHE 10 Cb -0.02 0.13 0.04 0.00 0.51 0.00 0.00 43.02 43.68 2edp s PHE 10 CO 0.13 -0.29 0.24 -1.14 0.70 0.00 0.00 175.22 174.87 2edp s GLN 11 N -0.45 2.79 -0.61 0.44 0.74 -1.16 -4.91 119.66 116.48 2edp s GLN 11 Ca -0.06 -1.18 -0.22 0.00 0.05 0.00 0.00 55.36 53.95 2edp s GLN 11 Cb -0.04 -3.79 0.07 0.00 1.10 0.00 0.00 33.01 30.36 2edp s GLN 11 CO 0.02 -0.79 0.88 0.71 -0.55 0.00 0.00 175.29 175.57 2edp s TYR 12 N 1.54 2.78 -0.44 1.67 1.51 -1.26 -3.41 117.35 119.74 2edp s TYR 12 Ca 0.02 -0.53 -0.08 0.00 -1.01 0.00 0.00 57.07 55.47 2edp s TYR 12 Cb -0.20 -4.13 0.10 0.00 -0.11 0.00 0.00 41.96 37.61 2edp s TYR 12 CO 0.06 -1.48 0.28 0.54 -1.11 0.00 0.00 175.55 173.84 2edp s VAL 13 N 3.67 4.07 -1.01 0.71 0.11 -1.14 -4.96 120.40 121.86 2edp s VAL 13 Ca 0.21 -1.64 -0.24 0.00 -2.93 0.00 0.00 61.98 57.38 2edp s VAL 13 Cb -0.18 -3.60 -0.06 0.00 -1.53 0.00 0.00 36.38 31.01 2edp s VAL 13 CO 0.11 -0.63 1.94 -2.16 -3.33 0.00 0.00 175.10 171.03 2edp s PRO 14 N 1.36 2.54 -0.74 1.54 0.04 -1.25 -3.67 135.00 134.81 2edp s PRO 14 Ca 0.05 -0.63 -0.26 0.00 0.04 0.00 0.00 61.00 60.20 2edp s PRO 14 Cb -0.24 -5.13 -0.13 0.00 0.04 0.00 0.00 34.50 29.03 2edp s PRO 14 CO 0.00 -3.60 2.42 0.28 0.04 0.00 0.00 177.00 176.13 2edp n VAL 15 N 7.85 -0.01 -2.72 -0.36 0.31 0.17 -4.74 118.33 118.82 2edp n VAL 15 Ca 0.42 -0.55 -0.42 0.00 -0.01 0.00 0.00 64.34 63.78 2edp n VAL 15 Cb 0.47 -2.11 -0.03 0.00 -0.91 0.00 0.00 33.84 31.25 2edp n VAL 15 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 2edp s GLN 16 N 8.82 3.21 0.95 5.55 0.74 -1.25 -2.88 119.66 134.79 2edp s GLN 16 Ca 0.94 -0.43 -0.15 0.00 0.05 0.00 0.00 55.36 55.77 2edp s GLN 16 Cb -0.15 -4.16 0.18 0.00 1.10 0.00 0.00 33.01 29.98 2edp s GLN 16 CO 0.12 -1.87 1.25 -0.51 -0.55 0.00 0.00 175.29 173.73 2edp s LEU 17 N 4.71 2.38 -0.22 3.68 1.43 0.13 -4.90 118.68 125.90 2edp s LEU 17 Ca 0.30 0.49 -0.22 0.00 -1.03 0.00 0.00 54.13 53.67 2edp s LEU 17 Cb -0.12 -2.63 0.06 0.00 0.03 0.00 0.00 46.19 43.53 2edp s LEU 17 CO 0.15 -2.68 0.62 -1.10 0.23 0.00 0.00 176.35 173.57 2edp s GLN 18 N -5.71 0.74 0.00 1.70 -0.21 -1.26 -3.59 119.66 111.33 2edp s GLN 18 Ca 0.70 0.81 0.00 0.00 0.02 0.00 0.00 55.36 56.88 2edp s GLN 18 Cb -0.07 0.36 0.00 0.00 1.00 0.00 0.00 33.01 34.30 2edp s GLN 18 CO 0.52 -0.10 0.00 0.41 -2.12 0.00 0.00 175.29 174.00 2edp n GLY 19 N 2.61 3.26 0.00 3.09 0.00 0.39 -4.98 105.19 109.56 2edp n GLY 19 Ca -0.14 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 44.86 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 2.96 3.69 -0.02 0.00 -0.73 -4.79 105.19 106.30 2edp n GLY 20 Ca 0.00 -1.95 -0.34 0.00 0.00 0.00 0.00 46.02 43.73 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 -0.14 0.01 -1.06 4.61 0.00 -1.26 -4.60 120.51 118.07 2edp n ALA 21 Ca 0.00 -0.32 -0.30 0.00 0.00 0.00 0.00 53.44 52.82 2edp n ALA 21 Cb 0.00 -2.25 0.25 0.00 0.00 0.00 0.00 19.45 17.46 2edp n ALA 21 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2edp s PRO 22 N -4.06 -1.57 0.00 0.00 0.04 -1.26 -5.13 135.00 123.02 2edp s PRO 22 Ca 0.74 -0.18 0.00 0.00 0.04 0.00 0.00 61.00 61.60 2edp s PRO 22 Cb -0.30 -1.57 0.00 0.00 0.04 0.00 0.00 34.50 32.68 2edp s PRO 22 CO 0.50 -3.92 0.00 0.91 0.04 0.00 0.00 177.00 174.54 2edp n TRP 23 N -4.88 0.00 0.00 0.56 7.02 -1.26 -4.70 117.44 114.17 2edp n TRP 23 Ca 0.15 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.63 2edp n TRP 23 Cb 0.60 0.05 0.00 0.00 -2.42 0.00 0.00 31.31 29.54 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 2.89 0.62 3.36 6.99 0.00 -1.26 0.18 105.19 117.97 2edp n GLY 24 Ca 0.00 -0.11 -0.10 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.92 -0.71 0.49 1.61 -0.12 -1.26 -1.17 117.98 115.89 2edp s PHE 25 Ca 0.00 1.49 0.03 0.00 -0.05 0.00 0.00 56.93 58.40 2edp s PHE 25 Cb 0.00 0.36 -0.02 0.00 -0.63 0.00 0.00 43.02 42.72 2edp s PHE 25 CO 0.00 -0.39 0.07 0.95 -0.05 0.00 0.00 175.22 175.80 2edp s THR 26 N 1.46 1.47 0.26 -4.49 -4.23 0.16 -4.99 115.64 105.28 2edp s THR 26 Ca -0.10 -1.91 0.02 0.00 -1.18 0.00 0.00 61.69 58.53 2edp s THR 26 Cb -0.08 -2.38 -0.04 0.00 1.34 0.00 0.00 72.50 71.35 2edp s THR 26 CO -0.15 0.00 0.17 -0.76 -0.54 0.00 0.00 174.62 173.35 2edp s LEU 27 N -3.90 1.48 0.25 4.79 1.43 -1.26 -1.36 118.68 120.10 2edp s LEU 27 Ca 0.17 -1.53 -0.20 0.00 -1.03 0.00 0.00 54.13 51.55 2edp s LEU 27 Cb 0.03 0.35 0.02 0.00 0.03 0.00 0.00 46.19 46.62 2edp s LEU 27 CO 0.10 -0.90 0.65 -1.59 0.23 0.00 0.00 176.35 174.84 2edp s LYS 28 N -3.88 1.65 4.10 1.70 -2.85 -0.67 -4.42 119.74 115.37 2edp s LYS 28 Ca 0.38 -0.95 0.00 0.00 -1.00 0.00 0.00 55.97 54.40 2edp s LYS 28 Cb 0.05 0.58 0.00 0.00 -2.06 0.00 0.00 37.83 36.40 2edp s LYS 28 CO 0.17 -0.74 0.00 0.41 0.10 0.00 0.00 175.35 175.30 2edp n GLY 29 N -0.43 0.52 0.00 0.59 0.00 -1.26 -2.68 105.19 101.94 2edp n GLY 29 Ca -0.06 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.06 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 2.44 0.35 -0.02 0.00 0.27 -4.62 105.19 103.60 2edp n GLY 30 Ca 0.00 -1.99 0.20 0.00 0.00 0.00 0.00 46.02 44.24 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 0.60 -0.70 0.99 8.10 -1.60 0.14 115.31 122.83 2edp h LEU 31 Ca 0.00 0.15 0.13 0.00 0.11 0.00 0.00 57.88 58.27 2edp h LEU 31 Cb 0.00 0.07 -0.13 0.00 -0.44 0.00 0.00 40.66 40.16 2edp h LEU 31 CO 0.00 0.02 -0.28 -0.08 -4.11 0.00 0.00 178.44 173.98 2edp h GLU 32 N 0.47 -0.08 -0.62 0.17 4.22 -1.87 0.31 114.58 117.18 2edp h GLU 32 Ca 0.68 0.01 0.00 0.00 0.08 0.00 0.00 59.36 60.12 2edp h GLU 32 Cb 1.42 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.69 2edp h GLU 32 CO -0.50 -0.05 0.00 0.72 -2.18 0.00 0.00 179.01 176.99 2edp n HIS 33 N -5.46 1.65 -3.00 0.92 8.25 -0.16 -4.92 115.22 112.49 2edp n HIS 33 Ca 0.07 -0.65 -0.22 0.00 -0.26 0.00 0.00 57.72 56.66 2edp n HIS 33 Cb 0.37 -0.32 0.02 0.00 1.12 0.00 0.00 29.99 31.18 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 -5.67 1.97 -0.77 0.00 2.02 0.29 -4.92 118.70 111.62 2edp s GLU 35 Ca 0.28 -1.04 -0.25 0.00 0.02 0.00 0.00 54.97 53.98 2edp s GLU 35 Cb -0.13 -2.14 -0.04 0.00 0.10 0.00 0.00 34.13 31.93 2edp s GLU 35 CO 0.35 0.53 1.91 -1.25 0.02 0.00 0.00 175.26 176.81 2edp s PRO 36 N -1.52 2.58 -0.86 0.39 0.04 -1.26 0.95 135.00 135.33 2edp s PRO 36 Ca 0.15 0.12 -0.28 0.00 0.04 0.00 0.00 61.00 61.03 2edp s PRO 36 Cb -0.10 -4.75 -0.19 0.00 0.04 0.00 0.00 34.50 29.49 2edp s PRO 36 CO 0.05 -3.09 2.36 -0.11 0.04 0.00 0.00 177.00 176.26 2edp n LEU 37 N 13.43 0.28 -4.15 -3.56 7.94 -1.26 -4.66 117.00 125.03 2edp n LEU 37 Ca 0.31 0.19 -0.12 0.00 -1.11 0.00 0.00 56.01 55.28 2edp n LEU 37 Cb 0.49 -0.81 -0.11 0.00 0.53 0.00 0.00 43.42 43.52 2edp n LEU 37 CO 0.65 -0.64 -0.40 0.42 -1.11 0.00 0.00 177.39 176.31 2edp s THR 38 N 7.79 0.73 0.18 1.96 -4.23 -1.09 -3.30 115.64 117.68 2edp s THR 38 Ca 1.20 -1.67 -0.32 0.00 -1.18 0.00 0.00 61.69 59.72 2edp s THR 38 Cb -1.13 -1.36 -0.16 0.00 1.34 0.00 0.00 72.50 71.19 2edp s THR 38 CO 0.44 -0.68 0.99 0.52 -0.54 0.00 0.00 174.62 175.35 2edp n VAL 39 N 0.45 1.19 -0.09 2.29 0.31 -0.11 -1.67 118.33 120.70 2edp n VAL 39 Ca -0.15 -0.30 -0.12 0.00 -0.01 0.00 0.00 64.34 63.76 2edp n VAL 39 Cb 0.59 -0.58 -0.10 0.00 -0.91 0.00 0.00 33.84 32.84 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 1.82 2.12 -3.64 4.52 3.41 -0.46 -3.06 113.62 118.33 2edp n SER 40 Ca 0.15 -0.07 -0.10 0.00 -0.26 0.00 0.00 58.87 58.59 2edp n SER 40 Cb 0.24 0.06 -0.07 0.00 -0.26 0.00 0.00 64.21 64.18 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 -2.38 0.58 -0.21 4.33 2.36 -1.25 -4.96 119.74 118.21 2edp s LYS 41 Ca -0.20 0.72 0.01 0.00 -2.55 0.00 0.00 55.97 53.95 2edp s LYS 41 Cb 0.06 0.27 0.04 0.00 -1.05 0.00 0.00 37.83 37.15 2edp s LYS 41 CO 0.50 -0.07 -0.12 0.42 1.55 0.00 0.00 175.35 177.63 2edp s ILE 42 N 0.38 1.81 -0.53 5.43 1.01 -1.26 0.35 121.20 128.39 2edp s ILE 42 Ca 0.01 -1.14 -0.34 0.00 0.00 0.00 0.00 60.65 59.19 2edp s ILE 42 Cb -0.05 -1.86 -0.14 0.00 0.01 0.00 0.00 42.46 40.43 2edp s ILE 42 CO -0.05 0.18 2.33 -0.62 0.00 0.00 0.00 174.94 176.78 2edp n GLU 43 N 4.62 0.73 -1.56 2.79 1.02 -0.32 -4.78 120.64 123.14 2edp n GLU 43 Ca -0.15 0.15 -0.31 0.00 -0.02 0.00 0.00 57.16 56.82 2edp n GLU 43 Cb 0.46 -2.34 -0.04 0.00 -0.02 0.00 0.00 31.44 29.50 2edp n GLU 43 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2edp s ASP 44 N 8.43 4.30 0.00 1.62 1.01 -1.26 -1.31 116.67 129.46 2edp s ASP 44 Ca 1.14 0.84 0.00 0.00 0.71 0.00 0.00 52.55 55.24 2edp s ASP 44 Cb -0.89 -2.51 0.00 0.00 1.01 0.00 0.00 42.92 40.53 2edp s ASP 44 CO 0.47 -3.12 0.00 0.61 0.21 0.00 0.00 175.17 173.34 2edp n GLY 45 N 6.19 1.25 0.00 0.21 0.00 -1.26 -5.07 105.19 106.51 2edp n GLY 45 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.41 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 -2.43 0.40 -0.02 0.00 -0.43 -4.49 105.19 98.23 2edp n GLY 46 Ca 0.00 -1.41 -0.15 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 -0.94 -0.92 1.61 1.79 0.16 0.17 116.57 118.43 2edp h LYS 47 Ca 0.00 0.06 0.22 0.00 -2.18 0.00 0.00 60.65 58.75 2edp h LYS 47 Cb 0.00 0.21 -0.17 0.00 -1.58 0.00 0.00 32.23 30.69 2edp h LYS 47 CO 0.00 -0.63 -0.09 0.00 -1.08 0.00 0.00 179.45 177.65 2edp h ALA 48 N -1.27 0.86 0.32 3.86 0.00 -1.54 0.37 119.26 121.86 2edp h ALA 48 Ca -0.10 0.33 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 2edp h ALA 48 Cb 0.75 0.61 0.00 0.00 0.00 0.00 0.00 17.79 19.16 2edp h ALA 48 CO 0.16 -0.47 -0.15 0.00 0.00 0.00 0.00 179.25 178.80 2edp h ALA 49 N 1.91 -0.43 -1.15 0.00 0.00 -1.77 -3.05 119.26 114.77 2edp h ALA 49 Ca 0.50 -0.18 0.33 0.00 0.00 0.00 0.00 54.91 55.55 2edp h ALA 49 Cb 0.90 0.16 -0.08 0.00 0.00 0.00 0.00 17.79 18.77 2edp h ALA 49 CO -0.89 -0.48 0.77 -0.07 0.00 0.00 0.00 179.25 178.59 2edp h LEU 50 N -0.95 0.26 -0.60 0.00 3.38 0.49 0.50 115.31 118.38 2edp h LEU 50 Ca -0.04 0.06 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 2edp h LEU 50 Cb 0.51 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 2edp h LEU 50 CO 0.07 0.01 -0.08 0.28 0.09 0.00 0.00 178.44 178.81 2edp h SER 51 N 0.21 1.01 -2.21 -0.43 0.02 -0.29 -3.47 113.55 108.40 2edp h SER 51 Ca 0.63 -0.32 -0.37 0.00 -0.84 0.00 0.00 61.79 60.89 2edp h SER 51 Cb 1.97 -0.27 -0.05 0.00 0.14 0.00 0.00 62.40 64.19 2edp h SER 51 CO -0.22 1.11 -0.44 0.00 -1.14 0.00 0.00 176.83 176.14 2edp n GLN 52 N -4.15 -1.41 -0.06 3.45 6.02 0.17 -4.87 117.38 116.53 2edp n GLN 52 Ca 0.02 0.94 -0.12 0.00 -0.01 0.00 0.00 57.00 57.83 2edp n GLN 52 Cb 0.39 -5.40 -0.14 0.00 1.02 0.00 0.00 30.24 26.10 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 -2.69 0.67 -4.28 -1.09 4.76 -1.26 -4.98 118.16 109.29 2edp n LYS 53 Ca -0.21 0.17 -0.16 0.00 -2.87 0.00 0.00 58.31 55.25 2edp n LYS 53 Cb 0.65 -1.66 -0.10 0.00 -1.84 0.00 0.00 35.03 32.08 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 -2.55 1.17 0.07 1.97 0.23 -1.26 -4.93 119.30 114.00 2edp s MET 54 Ca -0.12 -1.52 -0.08 0.00 -1.03 0.00 0.00 55.69 52.94 2edp s MET 54 Cb 0.07 -0.73 -0.01 0.00 -1.53 0.00 0.00 34.83 32.64 2edp s MET 54 CO 0.80 0.07 0.16 0.50 -2.03 0.00 0.00 175.02 174.51 2edp s ARG 55 N -3.75 0.78 -0.10 3.16 3.52 -1.26 -4.85 118.95 116.45 2edp s ARG 55 Ca 0.20 -0.92 -0.38 0.00 -0.13 0.00 0.00 55.73 54.50 2edp s ARG 55 Cb 0.02 0.31 -0.15 0.00 -1.56 0.00 0.00 34.95 33.57 2edp s ARG 55 CO 0.03 -0.23 1.63 0.25 -0.81 0.00 0.00 175.30 176.17 2edp n THR 56 N 0.12 0.23 0.00 4.11 -2.24 -1.26 -2.36 114.28 112.89 2edp n THR 56 Ca -0.16 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 2edp n THR 56 Cb 0.61 -1.23 0.00 0.00 -2.10 0.00 0.00 70.33 67.62 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 3.66 1.04 3.88 3.38 0.00 -1.17 -4.98 105.19 111.00 2edp n GLY 57 Ca 0.23 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.72 6.47 -0.40 1.61 1.47 -0.99 -4.80 116.67 119.31 2edp s ASP 58 Ca 0.00 1.03 -0.12 0.00 1.18 0.00 0.00 52.55 54.65 2edp s ASP 58 Cb 0.00 -2.28 0.04 0.00 -0.34 0.00 0.00 42.92 40.34 2edp s ASP 58 CO 0.00 -0.39 0.25 -0.70 0.68 0.00 0.00 175.17 175.01 2edp s GLU 59 N -3.93 2.80 -0.52 2.11 2.12 -1.23 -0.93 118.70 119.12 2edp s GLU 59 Ca 0.49 -1.20 -0.21 0.00 0.36 0.00 0.00 54.97 54.41 2edp s GLU 59 Cb -0.10 -3.82 0.05 0.00 0.26 0.00 0.00 34.13 30.52 2edp s GLU 59 CO 0.33 -0.81 0.75 -1.17 -0.54 0.00 0.00 175.26 173.83 2edp s LEU 60 N 1.55 4.59 0.00 2.70 0.20 -1.21 -2.29 118.68 124.22 2edp s LEU 60 Ca 0.03 -0.64 0.13 0.00 0.69 0.00 0.00 54.13 54.34 2edp s LEU 60 Cb -0.21 -2.62 -0.07 0.00 -0.43 0.00 0.00 46.19 42.86 2edp s LEU 60 CO 0.06 -1.01 0.66 1.33 -0.29 0.00 0.00 176.35 177.10 2edp n VAL 61 N 5.86 0.00 -3.81 1.68 0.24 -1.24 -4.92 118.33 116.14 2edp n VAL 61 Ca -0.03 -0.27 -0.23 0.00 -2.04 0.00 0.00 64.34 61.77 2edp n VAL 61 Cb 0.46 1.08 -0.17 0.00 -1.47 0.00 0.00 33.84 33.74 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 -1.97 1.51 -0.18 -1.34 3.84 -1.25 -0.02 114.94 115.52 2edp s ASN 62 Ca 0.08 -0.09 0.01 0.00 0.21 0.00 0.00 52.86 53.07 2edp s ASN 62 Cb 0.10 -0.44 0.03 0.00 -0.55 0.00 0.00 41.25 40.40 2edp s ASN 62 CO 0.45 -0.18 -0.12 -0.63 -2.79 0.00 0.00 177.10 173.82 2edp s ILE 63 N 1.85 1.64 -1.86 -5.21 1.01 -0.82 -2.08 121.20 115.74 2edp s ILE 63 Ca 0.03 -0.87 0.00 0.00 0.00 0.00 0.00 60.65 59.81 2edp s ILE 63 Cb -0.12 -1.64 0.00 0.00 0.01 0.00 0.00 42.46 40.71 2edp s ILE 63 CO -0.05 0.29 0.00 0.59 0.00 0.00 0.00 174.94 175.78 2edp n ASN 64 N 4.71 -5.77 0.00 3.58 3.02 0.80 -1.03 115.26 120.57 2edp n ASN 64 Ca -0.16 0.10 0.00 0.00 -0.03 0.00 0.00 54.58 54.49 2edp n ASN 64 Cb 0.48 -4.85 0.00 0.00 -0.61 0.00 0.00 39.78 34.80 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 -0.89 0.64 3.31 7.41 0.00 -1.18 -4.87 105.19 109.62 2edp n GLY 65 Ca -0.24 -0.21 -0.41 0.00 0.00 0.00 0.00 46.02 45.16 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 4.40 -0.55 2.61 2.01 -0.20 -5.04 115.64 116.87 2edp s THR 66 Ca 0.00 -1.18 -0.27 0.00 0.31 0.00 0.00 61.69 60.55 2edp s THR 66 Cb 0.00 -3.60 -0.02 0.00 0.01 0.00 0.00 72.50 68.89 2edp s THR 66 CO 0.00 -0.40 1.82 -2.16 -0.69 0.00 0.00 174.62 173.19 2edp s PRO 67 N 1.48 2.81 1.00 4.92 0.04 -1.26 -1.95 135.00 142.04 2edp s PRO 67 Ca 0.02 0.77 -0.15 0.00 0.04 0.00 0.00 61.00 61.69 2edp s PRO 67 Cb -0.22 -4.33 0.19 0.00 0.04 0.00 0.00 34.50 30.18 2edp s PRO 67 CO 0.04 -2.50 1.18 -0.51 0.04 0.00 0.00 177.00 175.24 2edp s LEU 68 N 8.45 1.85 -0.08 -3.56 1.43 0.97 -5.01 118.68 122.73 2edp s LEU 68 Ca 0.69 0.71 -0.01 0.00 -1.03 0.00 0.00 54.13 54.48 2edp s LEU 68 Cb -0.14 -2.81 -0.04 0.00 0.03 0.00 0.00 46.19 43.22 2edp s LEU 68 CO 0.24 -3.00 -0.09 -1.22 0.23 0.00 0.00 176.35 172.51 2edp n TYR 69 N -4.02 0.00 0.00 0.29 4.01 -1.26 -4.93 117.16 111.25 2edp n TYR 69 Ca 0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.84 2edp n TYR 69 Cb 0.59 -0.30 0.00 0.00 -0.31 0.00 0.00 39.34 39.32 2edp n TYR 69 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2edp n GLY 70 N 2.85 0.35 3.12 2.72 0.00 -1.26 -5.03 105.19 107.95 2edp n GLY 70 Ca -0.15 -0.03 -0.35 0.00 0.00 0.00 0.00 46.02 45.49 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 0.00 -4.61 -0.10 1.61 2.88 -1.26 -3.45 113.62 108.69 2edp n SER 71 Ca 0.00 0.20 -0.16 0.00 -1.33 0.00 0.00 58.87 57.58 2edp n SER 71 Cb 0.00 -0.87 -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 -1.14 -1.23 0.00 0.00 175.04 172.67 2edp n ARG 72 N 1.19 0.54 -0.12 -1.46 0.63 -1.26 -4.39 116.66 111.78 2edp n ARG 72 Ca 0.00 0.34 -0.08 0.00 -0.92 0.00 0.00 57.85 57.20 2edp n ARG 72 Cb 0.57 -1.55 -0.06 0.00 0.45 0.00 0.00 32.46 31.87 2edp n ARG 72 CO 0.00 0.00 0.00 1.96 -2.51 0.00 0.00 177.63 177.08 2edp h GLN 73 N -1.00 -0.18 -0.72 -0.14 1.08 -1.97 -0.20 115.11 111.97 2edp h GLN 73 Ca -0.24 0.01 0.17 0.00 -1.45 0.00 0.00 58.65 57.13 2edp h GLN 73 Cb 1.11 0.04 -0.14 0.00 -0.05 0.00 0.00 27.48 28.45 2edp h GLN 73 CO -0.15 -0.12 -0.10 -1.91 -0.95 0.00 0.00 178.83 175.60 2edp n GLU 74 N -4.31 -0.06 0.00 1.46 2.13 -1.26 0.43 120.64 119.03 2edp n GLU 74 Ca -0.01 1.11 0.00 0.00 0.66 0.00 0.00 57.16 58.91 2edp n GLU 74 Cb 0.19 -1.69 0.00 0.00 0.27 0.00 0.00 31.44 30.21 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 -3.56 -0.24 -0.18 4.31 0.00 -0.13 -1.68 120.51 119.03 2edp n ALA 75 Ca 0.14 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.49 2edp n ALA 75 Cb 0.44 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.85 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 -1.51 -1.20 0.00 3.38 -0.83 0.29 115.31 115.44 2edp h LEU 76 Ca 0.00 0.24 0.35 0.00 0.09 0.00 0.00 57.88 58.56 2edp h LEU 76 Cb 0.00 0.67 -0.13 0.00 0.09 0.00 0.00 40.66 41.29 2edp h LEU 76 CO 0.00 -0.35 0.68 0.40 0.09 0.00 0.00 178.44 179.26 2edp h ILE 77 N -0.26 0.28 -0.74 1.22 2.04 -0.10 0.85 117.51 120.79 2edp h ILE 77 Ca 0.16 -0.09 -0.03 0.00 1.00 0.00 0.00 64.86 65.91 2edp h ILE 77 Cb 0.57 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.62 2edp h ILE 77 CO -0.66 0.05 0.35 0.25 0.00 0.00 0.00 178.15 178.14 2edp h LEU 78 N 0.25 0.95 -0.10 1.44 5.85 0.49 -2.95 115.31 121.25 2edp h LEU 78 Ca 0.74 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 59.33 2edp h LEU 78 Cb 1.95 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 42.73 2edp h LEU 78 CO -0.49 0.81 -0.03 0.40 -0.34 0.00 0.00 178.44 178.79 2edp h ILE 79 N 1.05 1.30 -1.19 4.05 2.04 0.95 -3.06 117.51 122.65 2edp h ILE 79 Ca 0.26 -0.97 0.37 0.00 1.00 0.00 0.00 64.86 65.52 2edp h ILE 79 Cb 0.11 1.75 -0.08 0.00 -0.74 0.00 0.00 36.82 37.86 2edp h ILE 79 CO -0.03 0.27 0.81 0.29 0.00 0.00 0.00 178.15 179.49 2edp n LYS 80 N -4.77 -0.01 -2.36 2.37 5.02 -0.81 0.18 118.16 117.78 2edp n LYS 80 Ca -0.06 0.85 -0.27 0.00 -2.02 0.00 0.00 58.31 56.81 2edp n LYS 80 Cb 0.24 -1.79 0.01 0.00 -0.02 0.00 0.00 35.03 33.47 2edp n LYS 80 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2edp n GLY 81 N -1.50 6.09 1.91 0.72 0.00 -1.16 -5.07 105.19 106.19 2edp n GLY 81 Ca 0.30 -2.74 -0.17 0.00 0.00 0.00 0.00 46.02 43.42 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 -0.54 -1.91 -4.02 1.61 3.41 0.47 -5.06 113.62 107.58 2edp n SER 82 Ca 0.41 -0.80 -0.26 0.00 -0.26 0.00 0.00 58.87 57.96 2edp n SER 82 Cb 0.72 -0.56 -0.06 0.00 -0.26 0.00 0.00 64.21 64.05 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 -3.96 0.54 -0.01 7.33 3.72 -1.26 -4.91 117.46 118.90 2edp n PHE 83 Ca 0.08 -2.37 0.23 0.00 -0.05 0.00 0.00 57.45 55.35 2edp n PHE 83 Cb 0.33 -0.13 0.71 0.00 -0.94 0.00 0.00 39.48 39.44 2edp n PHE 83 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2edp h ARG 84 N 0.00 0.00 -3.87 -1.08 2.47 -1.96 -3.38 114.38 106.56 2edp h ARG 84 Ca -0.33 0.00 -0.40 0.00 -1.26 0.00 0.00 59.98 57.99 2edp h ARG 84 Cb 1.14 0.00 -0.35 0.00 -1.65 0.00 0.00 29.97 29.12 2edp h ARG 84 CO 0.54 0.00 -0.76 0.42 0.56 0.00 0.00 179.97 180.73 2edp s ILE 85 N -4.69 0.40 -0.11 2.04 1.01 -1.26 -0.46 121.20 118.13 2edp s ILE 85 Ca -0.04 -0.01 -0.06 0.00 0.00 0.00 0.00 60.65 60.53 2edp s ILE 85 Cb 0.17 -0.47 -0.04 0.00 0.01 0.00 0.00 42.46 42.13 2edp s ILE 85 CO 0.60 0.21 0.12 -0.22 0.00 0.00 0.00 174.94 175.65 2edp s LEU 86 N 1.16 4.27 -0.34 2.97 2.96 -1.24 -4.89 118.68 123.57 2edp s LEU 86 Ca -0.07 0.42 0.02 0.00 -0.22 0.00 0.00 54.13 54.27 2edp s LEU 86 Cb -0.14 -2.06 0.10 0.00 0.50 0.00 0.00 46.19 44.59 2edp s LEU 86 CO -0.01 0.40 0.09 -0.54 -1.32 0.00 0.00 176.35 174.96 2edp s LYS 87 N -1.06 1.19 -0.10 1.98 1.02 -1.26 0.19 119.74 121.70 2edp s LYS 87 Ca 0.15 -1.60 0.01 0.00 0.02 0.00 0.00 55.97 54.55 2edp s LYS 87 Cb -0.12 -2.69 -0.02 0.00 -0.52 0.00 0.00 37.83 34.48 2edp s LYS 87 CO 0.05 -0.98 -0.12 -0.51 -0.92 0.00 0.00 175.35 172.87 2edp s LEU 88 N 1.10 2.84 -0.51 3.17 1.43 -1.14 -0.14 118.68 125.43 2edp s LEU 88 Ca 0.11 -0.23 -0.03 0.00 -1.03 0.00 0.00 54.13 52.95 2edp s LEU 88 Cb -0.19 -1.63 0.13 0.00 0.03 0.00 0.00 46.19 44.54 2edp s LEU 88 CO -0.14 0.24 0.33 -0.63 0.23 0.00 0.00 176.35 176.37 2edp s ILE 89 N -0.09 3.57 -0.07 -0.59 1.09 -0.88 0.43 121.20 124.66 2edp s ILE 89 Ca -0.01 -2.44 -0.11 0.00 -1.10 0.00 0.00 60.65 56.99 2edp s ILE 89 Cb -0.14 -3.38 -0.05 0.00 -1.06 0.00 0.00 42.46 37.83 2edp s ILE 89 CO 0.03 -0.78 0.28 0.68 -0.10 0.00 0.00 174.94 175.05 2edp s VAL 90 N 0.62 5.26 -0.13 2.92 -7.23 -1.24 -3.66 120.40 116.93 2edp s VAL 90 Ca 0.12 0.54 -0.02 0.00 -1.81 0.00 0.00 61.98 60.81 2edp s VAL 90 Cb -0.22 -3.57 -0.03 0.00 0.56 0.00 0.00 36.38 33.13 2edp s VAL 90 CO -0.04 0.58 -0.06 0.00 -0.31 0.00 0.00 175.10 175.28 2edp s ARG 91 N -0.93 3.45 -0.13 4.82 1.70 -0.97 -2.87 118.95 124.02 2edp s ARG 91 Ca 0.19 -0.55 -0.01 0.00 -0.47 0.00 0.00 55.73 54.89 2edp s ARG 91 Cb -0.14 -2.80 0.03 0.00 -0.57 0.00 0.00 34.95 31.47 2edp s ARG 91 CO 0.08 0.32 -0.05 -0.98 -1.08 0.00 0.00 175.30 173.59 2edp s ARG 92 N 0.14 1.29 0.01 3.89 1.70 -1.22 -3.55 118.95 121.20 2edp s ARG 92 Ca -0.02 -0.31 -0.30 0.00 -0.47 0.00 0.00 55.73 54.62 2edp s ARG 92 Cb -0.14 -1.70 -0.05 0.00 -0.57 0.00 0.00 34.95 32.49 2edp s ARG 92 CO 0.03 -0.36 1.29 -0.98 -1.08 0.00 0.00 175.30 174.20 2edp s ARG 93 N 1.73 4.34 -0.24 3.89 1.70 -1.26 -3.01 118.95 126.10 2edp s ARG 93 Ca 0.03 1.85 -0.09 0.00 -0.47 0.00 0.00 55.73 57.04 2edp s ARG 93 Cb -0.14 -3.48 -0.04 0.00 -0.57 0.00 0.00 34.95 30.71 2edp s ARG 93 CO -0.08 -0.45 0.13 1.21 -1.08 0.00 0.00 175.30 175.04 2edp s ASN 94 N 1.49 5.85 0.14 -2.89 2.47 -1.26 -5.05 114.94 115.69 2edp s ASN 94 Ca 0.60 0.03 -0.05 0.00 0.42 0.00 0.00 52.86 53.86 2edp s ASN 94 Cb -0.30 -2.05 -0.02 0.00 -1.45 0.00 0.00 41.25 37.43 2edp s ASN 94 CO 0.26 0.05 0.16 -0.55 -3.72 0.00 0.00 177.10 173.31 2edp s SER 95 N 1.13 0.19 0.00 -4.21 0.15 -1.26 -4.87 113.70 104.83 2edp s SER 95 Ca 0.06 -0.99 0.00 0.00 0.70 0.00 0.00 55.95 55.72 2edp s SER 95 Cb -0.14 0.36 0.00 0.00 -1.71 0.00 0.00 66.02 64.53 2edp s SER 95 CO 0.05 -0.79 0.00 0.61 1.20 0.00 0.00 173.24 174.30 2edp n GLY 96 N -0.13 -0.93 0.00 9.45 0.00 -1.26 -4.95 105.19 107.37 2edp n GLY 96 Ca -0.08 0.43 0.07 0.00 0.00 0.00 0.00 46.02 46.44 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 0.49 -0.29 1.61 -0.04 -1.26 -3.99 135.00 131.52 2edp n PRO 97 Ca 0.00 0.00 0.26 0.00 -0.04 0.00 0.00 63.50 63.72 2edp n PRO 97 Cb 0.00 -1.47 0.46 0.00 -0.04 0.00 0.00 33.50 32.45 2edp n PRO 97 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2edp n SER 98 N -0.97 0.20 -4.49 3.54 7.64 -1.26 -3.68 113.62 114.61 2edp n SER 98 Ca 0.11 1.09 -0.36 0.00 1.01 0.00 0.00 58.87 60.72 2edp n SER 98 Cb 0.05 -0.53 -0.12 0.00 -1.01 0.00 0.00 64.21 62.60 2edp n SER 98 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2edp s SER 99 N -4.51 5.30 0.00 6.43 1.04 -1.26 -5.28 113.70 115.43 2edp s SER 99 Ca -0.06 -0.15 0.22 0.00 0.48 0.00 0.00 55.95 56.44 2edp s SER 99 Cb 0.23 -1.95 0.17 0.00 0.10 0.00 0.00 66.02 64.57 2edp s SER 99 CO 0.57 -0.01 1.19 0.61 0.98 0.00 0.00 173.24 176.59