#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fde s GLN 2 N 0.00 3.14 -0.32 0.54 0.74 -1.26 -5.10 119.66 117.39 2fde s GLN 2 Ca 0.00 -0.81 -0.02 0.00 0.05 0.00 0.00 55.36 54.59 2fde s GLN 2 Cb 0.00 -2.49 0.06 0.00 1.10 0.00 0.00 33.01 31.68 2fde s GLN 2 CO 0.00 0.07 0.04 0.42 -0.55 0.00 0.00 175.29 175.27 2fde s ILE 3 N 0.66 3.01 1.04 -2.34 1.01 -1.26 -5.11 121.20 118.21 2fde s ILE 3 Ca -0.10 -1.56 -0.13 0.00 0.00 0.00 0.00 60.65 58.86 2fde s ILE 3 Cb -0.16 -2.82 0.21 0.00 0.01 0.00 0.00 42.46 39.69 2fde s ILE 3 CO 0.02 -0.25 1.09 0.42 0.00 0.00 0.00 174.94 176.23 2fde s THR 4 N 1.21 1.96 -0.26 2.92 -4.23 -1.26 -4.99 115.64 111.00 2fde s THR 4 Ca -0.02 0.00 0.09 0.00 -1.18 0.00 0.00 61.69 60.58 2fde s THR 4 Cb -0.20 -2.48 0.44 0.00 1.34 0.00 0.00 72.50 71.61 2fde s THR 4 CO -0.02 0.00 1.20 0.18 -0.54 0.00 0.00 174.62 175.44 2fde n LEU 5 N -4.30 4.03 -0.03 4.79 4.77 -1.26 -4.62 117.00 120.38 2fde n LEU 5 Ca 0.06 -4.40 0.13 0.00 -0.03 0.00 0.00 56.01 51.77 2fde n LEU 5 Cb 0.58 -0.41 0.49 0.00 -2.33 0.00 0.00 43.42 41.74 2fde n LEU 5 CO 0.56 1.83 0.76 0.79 -1.33 0.00 0.00 177.39 180.00 2fde n TRP 6 N -0.87 0.00 -3.95 -1.77 7.02 -1.26 -4.76 117.44 111.85 2fde n TRP 6 Ca 0.34 0.00 -0.13 0.00 -1.02 0.00 0.00 57.50 56.69 2fde n TRP 6 Cb 0.86 -0.32 -0.14 0.00 -2.42 0.00 0.00 31.31 29.29 2fde n TRP 6 CO 0.00 0.00 0.00 -0.65 -2.02 0.00 0.00 177.69 175.02 2fde s GLN 7 N -2.85 0.13 -0.04 -0.99 -1.52 -1.26 -5.10 119.66 108.02 2fde s GLN 7 Ca 0.17 -0.07 -0.39 0.00 -1.95 0.00 0.00 55.36 53.12 2fde s GLN 7 Cb 0.19 -0.11 -0.18 0.00 -0.22 0.00 0.00 33.01 32.68 2fde s GLN 7 CO 0.57 0.03 1.29 0.54 -0.25 0.00 0.00 175.29 177.48 2fde n ARG 8 N 3.00 0.56 -1.76 2.91 1.74 -1.26 -4.71 116.66 117.15 2fde n ARG 8 Ca -0.13 0.20 -0.34 0.00 -0.77 0.00 0.00 57.85 56.82 2fde n ARG 8 Cb 0.59 -1.78 -0.06 0.00 -1.02 0.00 0.00 32.46 30.20 2fde n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2fde n PRO 9 N 2.52 1.63 -2.97 5.56 -0.04 -1.26 -4.93 135.00 135.51 2fde n PRO 9 Ca 0.21 -2.28 -0.40 0.00 -0.04 0.00 0.00 63.50 60.99 2fde n PRO 9 Cb 0.11 -3.43 -0.04 0.00 -0.04 0.00 0.00 33.50 30.10 2fde n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2fde s LEU 10 N 7.22 4.26 0.51 1.53 2.01 -1.26 -1.78 118.68 131.17 2fde s LEU 10 Ca 0.64 1.19 0.01 0.00 0.01 0.00 0.00 54.13 55.98 2fde s LEU 10 Cb 0.05 -3.16 -0.01 0.00 0.01 0.00 0.00 46.19 43.09 2fde s LEU 10 CO 0.13 -0.24 0.02 0.68 1.01 0.00 0.00 176.35 177.95 2fde s VAL 11 N 1.37 0.98 -0.19 -1.59 -7.23 -0.68 -4.98 120.40 108.08 2fde s VAL 11 Ca 0.38 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.54 2fde s VAL 11 Cb -0.17 -2.09 0.01 0.00 0.56 0.00 0.00 36.38 34.68 2fde s VAL 11 CO 0.16 0.00 -0.14 -0.89 -0.31 0.00 0.00 175.10 173.93 2fde s THR 12 N -2.94 2.62 0.28 5.32 2.01 -1.26 -2.41 115.64 119.27 2fde s THR 12 Ca 0.05 -0.76 0.10 0.00 0.31 0.00 0.00 61.69 61.40 2fde s THR 12 Cb 0.01 -2.14 -0.05 0.00 0.01 0.00 0.00 72.50 70.33 2fde s THR 12 CO 0.03 0.49 -0.08 0.27 -0.69 0.00 0.00 174.62 174.64 2fde s ILE 13 N 1.27 2.92 -0.20 1.82 -4.36 0.13 -0.24 121.20 122.54 2fde s ILE 13 Ca 0.03 -2.13 -0.01 0.00 -0.26 0.00 0.00 60.65 58.29 2fde s ILE 13 Cb -0.14 -2.62 0.06 0.00 1.25 0.00 0.00 42.46 41.01 2fde s ILE 13 CO -0.07 -0.36 -0.01 -0.75 0.24 0.00 0.00 174.94 173.99 2fde s LYS 14 N -3.61 1.09 -0.03 0.37 2.20 -0.68 -0.59 119.74 118.49 2fde s LYS 14 Ca 0.31 -0.62 0.04 0.00 -0.36 0.00 0.00 55.97 55.34 2fde s LYS 14 Cb -0.05 -2.23 -0.00 0.00 -1.51 0.00 0.00 37.83 34.04 2fde s LYS 14 CO 0.18 -0.59 -0.13 -1.50 -0.36 0.00 0.00 175.35 172.95 2fde s ILE 15 N 1.67 1.07 -1.63 5.43 2.07 -0.19 -2.49 121.20 127.14 2fde s ILE 15 Ca -0.02 -0.53 -0.03 0.00 -1.41 0.00 0.00 60.65 58.66 2fde s ILE 15 Cb -0.17 -0.92 0.01 0.00 0.13 0.00 0.00 42.46 41.50 2fde s ILE 15 CO -0.07 0.32 0.34 0.61 -1.91 0.00 0.00 174.94 174.22 2fde n GLY 16 N 3.10 -0.51 2.25 1.50 0.00 -1.26 -1.38 105.19 108.88 2fde n GLY 16 Ca -0.17 0.07 -0.09 0.00 0.00 0.00 0.00 46.02 45.84 2fde n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fde n GLY 17 N -1.29 0.99 3.32 -0.02 0.00 -1.26 -5.02 105.19 101.92 2fde n GLY 17 Ca -0.17 -0.64 -0.24 0.00 0.00 0.00 0.00 46.02 44.98 2fde n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2fde s GLN 18 N -2.81 1.23 -0.15 1.61 -0.21 -0.48 -5.13 119.66 113.71 2fde s GLN 18 Ca 0.00 -1.30 -0.06 0.00 0.02 0.00 0.00 55.36 54.02 2fde s GLN 18 Cb 0.00 -1.43 -0.04 0.00 1.00 0.00 0.00 33.01 32.55 2fde s GLN 18 CO 0.00 0.31 0.04 -0.51 -2.12 0.00 0.00 175.29 173.02 2fde s LEU 19 N -2.29 3.74 0.26 2.90 1.43 -1.26 -1.02 118.68 122.44 2fde s LEU 19 Ca 0.12 0.10 -0.00 0.00 -1.03 0.00 0.00 54.13 53.32 2fde s LEU 19 Cb -0.08 -1.92 -0.03 0.00 0.03 0.00 0.00 46.19 44.19 2fde s LEU 19 CO 0.06 0.24 0.25 -0.54 0.23 0.00 0.00 176.35 176.59 2fde s LYS 20 N -0.05 1.48 -0.24 1.70 1.02 0.24 -5.00 119.74 118.89 2fde s LYS 20 Ca 0.05 -1.70 0.02 0.00 0.02 0.00 0.00 55.97 54.36 2fde s LYS 20 Cb -0.12 0.33 0.04 0.00 -0.52 0.00 0.00 37.83 37.56 2fde s LYS 20 CO 0.01 -0.54 -0.12 -1.21 -0.92 0.00 0.00 175.35 172.58 2fde s GLU 21 N -3.82 2.53 0.26 1.68 2.02 -1.26 -0.69 118.70 119.41 2fde s GLU 21 Ca 0.36 -1.16 0.08 0.00 0.02 0.00 0.00 54.97 54.27 2fde s GLU 21 Cb 0.04 -2.84 -0.04 0.00 0.10 0.00 0.00 34.13 31.39 2fde s GLU 21 CO 0.17 -0.46 0.16 0.00 0.02 0.00 0.00 175.26 175.15 2fde s ALA 22 N 1.19 3.52 -0.10 5.21 0.00 -1.01 -4.44 121.76 126.13 2fde s ALA 22 Ca -0.04 -1.49 -0.13 0.00 0.00 0.00 0.00 51.96 50.29 2fde s ALA 22 Cb -0.18 -1.17 -0.05 0.00 0.00 0.00 0.00 23.12 21.72 2fde s ALA 22 CO -0.07 0.23 0.32 -1.17 0.00 0.00 0.00 175.76 175.08 2fde s LEU 23 N -3.82 4.34 -0.24 0.00 2.96 0.17 -1.68 118.68 120.41 2fde s LEU 23 Ca 0.33 0.67 -0.29 0.00 -0.22 0.00 0.00 54.13 54.62 2fde s LEU 23 Cb -0.07 -2.42 -0.00 0.00 0.50 0.00 0.00 46.19 44.19 2fde s LEU 23 CO 0.24 0.21 1.20 -0.76 -1.32 0.00 0.00 176.35 175.92 2fde s LEU 24 N -0.23 4.05 -0.28 -0.68 1.43 -0.73 -0.87 118.68 121.36 2fde s LEU 24 Ca 0.19 1.40 0.02 0.00 -1.03 0.00 0.00 54.13 54.72 2fde s LEU 24 Cb -0.14 -3.54 0.08 0.00 0.03 0.00 0.00 46.19 42.62 2fde s LEU 24 CO 0.07 -0.85 -0.02 -0.62 0.23 0.00 0.00 176.35 175.17 2fde s ASP 25 N 1.99 4.32 0.16 2.29 3.68 -0.24 -4.81 116.67 124.06 2fde s ASP 25 Ca 0.52 -1.59 -0.08 0.00 2.13 0.00 0.00 52.55 53.53 2fde s ASP 25 Cb -0.18 -1.39 0.00 0.00 -1.45 0.00 0.00 42.92 39.91 2fde s ASP 25 CO 0.15 -0.29 1.45 0.71 0.13 0.00 0.00 175.17 177.33 2fde h THR 26 N 6.66 1.29 0.00 1.71 1.35 -1.94 -2.90 112.91 119.08 2fde h THR 26 Ca -0.13 -1.76 0.00 0.00 -0.55 0.00 0.00 66.41 63.97 2fde h THR 26 Cb 1.04 1.69 0.00 0.00 -1.73 0.00 0.00 68.15 69.15 2fde h THR 26 CO 0.47 0.56 0.00 0.61 -0.25 0.00 0.00 175.52 176.91 2fde n GLY 27 N 0.31 -0.63 3.62 5.82 0.00 -1.26 -4.65 105.19 108.40 2fde n GLY 27 Ca -0.04 -0.11 -0.34 0.00 0.00 0.00 0.00 46.02 45.53 2fde n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fde s ALA 28 N -2.10 3.30 -0.16 4.61 0.00 -1.09 -4.95 121.76 121.37 2fde s ALA 28 Ca 0.26 -0.77 0.17 0.00 0.00 0.00 0.00 51.96 51.62 2fde s ALA 28 Cb 0.13 -1.75 -0.03 0.00 0.00 0.00 0.00 23.12 21.46 2fde s ALA 28 CO 0.22 0.28 1.11 -0.44 0.00 0.00 0.00 175.76 176.93 2fde h ASP 29 N 6.34 0.00 -3.29 0.00 3.45 -1.86 0.19 116.42 121.25 2fde h ASP 29 Ca -0.39 0.00 -0.48 0.00 0.43 0.00 0.00 57.03 56.59 2fde h ASP 29 Cb 1.18 0.00 -0.16 0.00 -0.56 0.00 0.00 39.33 39.79 2fde h ASP 29 CO 0.65 0.47 -0.75 -1.81 -1.57 0.00 0.00 179.24 176.22 2fde s ASP 30 N -6.00 2.66 -0.22 6.45 1.01 -1.26 -2.81 116.67 116.49 2fde s ASP 30 Ca 0.00 -0.96 -0.21 0.00 0.71 0.00 0.00 52.55 52.09 2fde s ASP 30 Cb 0.08 -0.15 -0.02 0.00 1.01 0.00 0.00 42.92 43.84 2fde s ASP 30 CO 0.78 -0.11 0.67 -0.89 0.21 0.00 0.00 175.17 175.84 2fde s THR 31 N -2.59 4.97 -0.09 -1.27 2.01 -1.26 -3.15 115.64 114.26 2fde s THR 31 Ca 0.20 1.25 0.01 0.00 0.31 0.00 0.00 61.69 63.46 2fde s THR 31 Cb -0.03 -3.98 0.02 0.00 0.01 0.00 0.00 72.50 68.52 2fde s THR 31 CO 0.07 0.05 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.26 2fde s VAL 32 N 2.29 1.08 -0.00 3.82 1.01 -0.15 -1.28 120.40 127.17 2fde s VAL 32 Ca 0.29 -0.39 0.08 0.00 0.00 0.00 0.00 61.98 61.97 2fde s VAL 32 Cb -0.16 -1.04 -0.02 0.00 0.00 0.00 0.00 36.38 35.16 2fde s VAL 32 CO 0.09 0.36 -0.25 -0.76 0.00 0.00 0.00 175.10 174.54 2fde s LEU 33 N 1.16 2.08 1.08 3.92 1.43 -0.14 -0.42 118.68 127.79 2fde s LEU 33 Ca -0.05 -0.48 -0.18 0.00 -1.03 0.00 0.00 54.13 52.39 2fde s LEU 33 Cb -0.14 -1.28 0.12 0.00 0.03 0.00 0.00 46.19 44.92 2fde s LEU 33 CO -0.02 0.29 0.04 -0.62 0.23 0.00 0.00 176.35 176.27 2fde n GLU 34 N 2.30 -1.88 -1.68 1.70 1.02 -1.25 -1.35 120.64 119.49 2fde n GLU 34 Ca -0.16 -0.54 -0.45 0.00 -0.02 0.00 0.00 57.16 55.99 2fde n GLU 34 Cb 0.52 -1.57 -0.04 0.00 -0.02 0.00 0.00 31.44 30.33 2fde n GLU 34 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2fde n GLU 35 N -1.77 2.39 -3.53 3.49 4.07 -1.25 -4.34 120.64 119.70 2fde n GLU 35 Ca 0.03 0.87 -0.13 0.00 -0.06 0.00 0.00 57.16 57.87 2fde n GLU 35 Cb 0.53 -2.68 -0.04 0.00 -0.06 0.00 0.00 31.44 29.19 2fde n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2fde s MET 36 N 1.73 1.14 -0.49 5.31 0.23 -1.26 -5.05 119.30 120.90 2fde s MET 36 Ca 0.81 -0.42 -0.29 0.00 -1.03 0.00 0.00 55.69 54.76 2fde s MET 36 Cb -0.61 0.52 0.02 0.00 -1.53 0.00 0.00 34.83 33.23 2fde s MET 36 CO 0.39 -0.45 1.23 0.45 -2.03 0.00 0.00 175.02 174.60 2fde s SER 37 N -2.43 6.49 -0.04 -1.18 0.15 -1.26 -5.02 113.70 110.41 2fde s SER 37 Ca -0.01 0.46 0.02 0.00 0.70 0.00 0.00 55.95 57.11 2fde s SER 37 Cb -0.00 -2.55 0.01 0.00 -1.71 0.00 0.00 66.02 61.77 2fde s SER 37 CO -0.08 -1.37 -0.07 -0.76 1.20 0.00 0.00 173.24 172.16 2fde s LEU 38 N 4.89 1.55 0.60 3.45 1.43 -1.26 -4.88 118.68 124.47 2fde s LEU 38 Ca 0.50 -0.17 -0.12 0.00 -1.03 0.00 0.00 54.13 53.31 2fde s LEU 38 Cb -0.09 -0.53 -0.05 0.00 0.03 0.00 0.00 46.19 45.55 2fde s LEU 38 CO 0.30 0.00 1.02 -2.16 0.23 0.00 0.00 176.35 175.75 2fde s PRO 39 N 0.61 3.65 0.00 1.29 0.04 -1.26 -4.99 135.00 134.34 2fde s PRO 39 Ca -0.09 0.80 0.00 0.00 0.04 0.00 0.00 61.00 61.74 2fde s PRO 39 Cb -0.13 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.33 2fde s PRO 39 CO 0.01 -0.53 0.00 0.41 0.04 0.00 0.00 177.00 176.93 2fde n GLY 40 N -2.50 0.98 3.89 0.56 0.00 -1.26 -5.03 105.19 101.83 2fde n GLY 40 Ca 0.06 -2.05 -0.29 0.00 0.00 0.00 0.00 46.02 43.75 2fde n GLY 40 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2fde s ARG 41 N -1.61 3.61 0.35 1.61 3.00 -1.26 -5.10 118.95 119.56 2fde s ARG 41 Ca 0.00 0.33 0.01 0.00 -1.00 0.00 0.00 55.73 55.07 2fde s ARG 41 Cb 0.00 -2.35 -0.00 0.00 0.00 0.00 0.00 34.95 32.60 2fde s ARG 41 CO 0.00 -0.20 0.44 1.67 0.00 0.00 0.00 175.30 177.22 2fde s TRP 42 N -2.68 1.28 0.06 5.12 1.48 -1.26 -4.76 118.94 118.19 2fde s TRP 42 Ca 0.49 -1.42 0.05 0.00 -1.06 0.00 0.00 56.10 54.16 2fde s TRP 42 Cb -0.10 -0.24 -0.03 0.00 -1.16 0.00 0.00 33.47 31.94 2fde s TRP 42 CO 0.42 -1.11 -0.14 0.15 -4.06 0.00 0.00 176.95 172.21 2fde s LYS 43 N -3.02 0.83 0.39 3.25 1.02 -0.74 -4.90 119.74 116.56 2fde s LYS 43 Ca 0.33 -0.91 -0.24 0.00 0.02 0.00 0.00 55.97 55.18 2fde s LYS 43 Cb -0.00 -0.83 -0.10 0.00 -0.52 0.00 0.00 37.83 36.38 2fde s LYS 43 CO 0.23 0.19 0.98 -2.14 -0.92 0.00 0.00 175.35 173.69 2fde s PRO 44 N -1.61 4.31 0.08 -1.68 0.02 -1.26 0.06 135.00 134.91 2fde s PRO 44 Ca -0.02 1.32 -0.26 0.00 0.02 0.00 0.00 61.00 62.06 2fde s PRO 44 Cb -0.10 -2.49 0.08 0.00 0.02 0.00 0.00 34.50 32.02 2fde s PRO 44 CO 0.02 0.02 0.72 0.21 -0.33 0.00 0.00 177.00 177.65 2fde s LYS 45 N -2.60 1.07 -0.01 5.54 2.20 -0.06 -4.84 119.74 121.05 2fde s LYS 45 Ca 0.57 -0.35 0.04 0.00 -0.36 0.00 0.00 55.97 55.87 2fde s LYS 45 Cb -0.16 0.50 -0.01 0.00 -1.51 0.00 0.00 37.83 36.64 2fde s LYS 45 CO 0.21 -0.46 -0.14 1.41 -0.36 0.00 0.00 175.35 176.01 2fde s MET 46 N -3.30 1.21 0.11 4.03 -2.45 -1.26 0.97 119.30 118.61 2fde s MET 46 Ca 0.02 -0.51 0.04 0.00 -1.25 0.00 0.00 55.69 53.98 2fde s MET 46 Cb -0.01 -1.15 -0.04 0.00 1.25 0.00 0.00 34.83 34.88 2fde s MET 46 CO -0.10 0.30 -0.10 0.96 1.05 0.00 0.00 175.02 177.13 2fde s ILE 47 N -0.29 0.99 0.12 10.11 -4.36 -0.72 -4.96 121.20 122.10 2fde s ILE 47 Ca 0.05 -1.80 0.03 0.00 -0.26 0.00 0.00 60.65 58.67 2fde s ILE 47 Cb -0.06 -1.54 -0.04 0.00 1.25 0.00 0.00 42.46 42.07 2fde s ILE 47 CO -0.00 -0.64 -0.08 -0.83 0.24 0.00 0.00 174.94 173.63 2fde s GLY 48 N -2.72 0.92 0.00 6.27 0.00 -1.26 -0.59 107.32 109.93 2fde s GLY 48 Ca 0.09 -1.42 0.00 0.00 0.00 0.00 0.00 44.72 43.39 2fde s GLY 48 CO -0.00 -1.52 0.00 0.61 0.00 0.00 0.00 173.10 172.19 2fde n GLY 49 N -0.12 2.57 3.67 0.20 0.00 0.33 -4.98 105.19 106.86 2fde n GLY 49 Ca -0.11 -0.65 -0.41 0.00 0.00 0.00 0.00 46.02 44.84 2fde n GLY 49 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2fde n ILE 50 N 0.00 2.43 0.00 -0.61 5.41 -1.26 -1.99 119.36 123.34 2fde n ILE 50 Ca 0.00 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.25 2fde n ILE 50 Cb 0.00 -1.43 0.00 0.00 -0.71 0.00 0.00 39.64 37.50 2fde n ILE 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2fde n GLY 51 N 0.93 2.88 0.00 7.39 0.00 -1.26 -4.86 105.19 110.27 2fde n GLY 51 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 2fde n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fde n GLY 52 N -1.98 0.51 3.36 -0.02 0.00 -0.84 -5.12 105.19 101.10 2fde n GLY 52 Ca 0.00 -1.46 -0.19 0.00 0.00 0.00 0.00 46.02 44.37 2fde n GLY 52 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2fde s PHE 53 N -3.88 1.73 -0.01 1.61 -0.71 -1.26 -0.52 117.98 114.95 2fde s PHE 53 Ca 0.00 -0.68 -0.02 0.00 -1.04 0.00 0.00 56.93 55.19 2fde s PHE 53 Cb 0.00 -0.90 -0.00 0.00 -1.21 0.00 0.00 43.02 40.91 2fde s PHE 53 CO 0.00 0.25 0.04 0.96 -1.34 0.00 0.00 175.22 175.13 2fde s ILE 54 N -3.08 0.04 -0.18 -4.49 -4.36 0.24 -4.98 121.20 104.39 2fde s ILE 54 Ca 0.25 -0.33 -0.20 0.00 -0.26 0.00 0.00 60.65 60.10 2fde s ILE 54 Cb 0.02 -0.17 -0.03 0.00 1.25 0.00 0.00 42.46 43.53 2fde s ILE 54 CO 0.08 -0.18 0.60 -0.75 0.24 0.00 0.00 174.94 174.93 2fde s LYS 55 N -0.55 4.24 0.35 0.37 2.47 -1.26 -1.75 119.74 123.61 2fde s LYS 55 Ca -0.06 0.59 0.04 0.00 -1.56 0.00 0.00 55.97 54.98 2fde s LYS 55 Cb -0.04 -3.55 -0.06 0.00 -1.46 0.00 0.00 37.83 32.73 2fde s LYS 55 CO -0.00 -0.15 0.06 0.14 0.16 0.00 0.00 175.35 175.56 2fde s VAL 56 N 1.62 1.15 0.00 4.02 -7.23 0.27 -4.56 120.40 115.68 2fde s VAL 56 Ca 0.28 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.44 2fde s VAL 56 Cb -0.16 -2.73 -0.04 0.00 0.56 0.00 0.00 36.38 34.01 2fde s VAL 56 CO 0.11 0.00 0.14 -0.13 -0.31 0.00 0.00 175.10 174.91 2fde s ARG 57 N -3.86 3.27 -0.16 4.82 0.52 0.10 -0.88 118.95 122.77 2fde s ARG 57 Ca 0.34 -0.41 -0.02 0.00 -0.52 0.00 0.00 55.73 55.12 2fde s ARG 57 Cb 0.08 -2.99 -0.02 0.00 0.52 0.00 0.00 34.95 32.54 2fde s ARG 57 CO 0.15 0.65 -0.08 -1.14 0.02 0.00 0.00 175.30 174.90 2fde s GLN 58 N -1.95 3.47 -0.08 3.54 0.74 0.11 -1.26 119.66 124.23 2fde s GLN 58 Ca 0.27 -0.62 0.04 0.00 0.05 0.00 0.00 55.36 55.10 2fde s GLN 58 Cb -0.12 -2.81 0.00 0.00 1.10 0.00 0.00 33.01 31.18 2fde s GLN 58 CO 0.18 0.12 -0.22 0.71 -0.55 0.00 0.00 175.29 175.54 2fde s TYR 59 N 0.62 2.30 0.30 1.67 1.51 -0.06 -1.79 117.35 121.91 2fde s TYR 59 Ca -0.05 -0.88 0.10 0.00 -1.01 0.00 0.00 57.07 55.23 2fde s TYR 59 Cb -0.15 -1.55 -0.05 0.00 -0.11 0.00 0.00 41.96 40.10 2fde s TYR 59 CO 0.03 -0.35 -0.01 -0.51 -1.11 0.00 0.00 175.55 173.60 2fde s ASP 60 N 0.29 4.34 -1.48 2.29 1.01 -1.26 -0.22 116.67 121.64 2fde s ASP 60 Ca -0.15 -0.80 -0.12 0.00 0.71 0.00 0.00 52.55 52.19 2fde s ASP 60 Cb -0.17 -0.68 0.08 0.00 1.01 0.00 0.00 42.92 43.17 2fde s ASP 60 CO 0.07 -0.09 0.78 0.00 0.21 0.00 0.00 175.17 176.13 2fde n GLN 61 N -0.91 -4.58 -4.09 8.23 1.13 -0.54 -4.93 117.38 111.70 2fde n GLN 61 Ca -0.05 0.57 -0.35 0.00 -1.94 0.00 0.00 57.00 55.23 2fde n GLN 61 Cb 0.60 -5.39 -0.12 0.00 0.11 0.00 0.00 30.24 25.44 2fde n GLN 61 CO 0.00 0.00 0.00 -1.50 -1.44 0.00 0.00 177.06 174.12 2fde s ILE 62 N -3.17 4.14 0.23 5.09 2.07 -0.48 -4.83 121.20 124.24 2fde s ILE 62 Ca 0.56 -0.25 -0.31 0.00 -1.41 0.00 0.00 60.65 59.24 2fde s ILE 62 Cb -0.29 -2.87 -0.10 0.00 0.13 0.00 0.00 42.46 39.33 2fde s ILE 62 CO 0.69 0.43 1.52 -0.22 -1.91 0.00 0.00 174.94 175.45 2fde s LEU 63 N 0.84 4.37 -0.09 8.50 2.96 -1.26 -2.76 118.68 131.24 2fde s LEU 63 Ca 0.01 2.70 -0.10 0.00 -0.22 0.00 0.00 54.13 56.52 2fde s LEU 63 Cb -0.14 -3.61 0.03 0.00 0.50 0.00 0.00 46.19 42.96 2fde s LEU 63 CO 0.02 -0.79 0.28 -0.51 -1.32 0.00 0.00 176.35 174.04 2fde s ILE 64 N 0.43 0.01 -0.15 6.68 2.07 0.47 -4.45 121.20 126.25 2fde s ILE 64 Ca 0.64 -0.08 -0.03 0.00 -1.41 0.00 0.00 60.65 59.78 2fde s ILE 64 Cb -0.44 -0.43 -0.02 0.00 0.13 0.00 0.00 42.46 41.70 2fde s ILE 64 CO 0.39 -0.04 -0.07 -1.61 -1.91 0.00 0.00 174.94 171.71 2fde s GLU 65 N -0.06 3.56 -0.29 3.50 2.02 -1.04 -1.06 118.70 125.33 2fde s GLU 65 Ca -0.02 -0.58 -0.03 0.00 0.02 0.00 0.00 54.97 54.37 2fde s GLU 65 Cb -0.03 -2.84 0.04 0.00 0.10 0.00 0.00 34.13 31.40 2fde s GLU 65 CO 0.01 0.19 -0.00 0.42 0.02 0.00 0.00 175.26 175.89 2fde s ILE 66 N 0.48 3.10 -1.80 -1.63 1.01 0.48 -1.68 121.20 121.16 2fde s ILE 66 Ca -0.05 -1.19 -0.19 0.00 0.00 0.00 0.00 60.65 59.21 2fde s ILE 66 Cb -0.15 -2.70 0.19 0.00 0.01 0.00 0.00 42.46 39.81 2fde s ILE 66 CO 0.03 -0.00 0.54 0.00 0.00 0.00 0.00 174.94 175.51 2fde n GLY 68 N -1.36 2.48 3.70 0.00 0.00 -1.26 -4.98 105.19 103.77 2fde n GLY 68 Ca 0.04 -0.39 -0.40 0.00 0.00 0.00 0.00 46.02 45.26 2fde n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2fde s HIS 69 N -1.63 3.51 0.61 1.61 4.02 -0.04 -5.05 115.29 118.32 2fde s HIS 69 Ca 0.00 1.23 -0.13 0.00 1.02 0.00 0.00 55.06 57.18 2fde s HIS 69 Cb 0.00 -2.88 -0.04 0.00 -1.02 0.00 0.00 32.58 28.64 2fde s HIS 69 CO 0.00 -0.04 1.03 0.15 1.02 0.00 0.00 174.74 176.90 2fde s LYS 70 N 1.33 3.48 -0.17 1.40 1.02 -1.26 -0.38 119.74 125.15 2fde s LYS 70 Ca 0.37 0.94 -0.29 0.00 0.02 0.00 0.00 55.97 57.01 2fde s LYS 70 Cb -0.17 -2.06 0.12 0.00 -0.52 0.00 0.00 37.83 35.19 2fde s LYS 70 CO 0.16 -0.66 0.95 0.00 -0.92 0.00 0.00 175.35 174.88 2fde s ALA 71 N -2.87 -1.91 -0.17 5.17 0.00 -0.22 -4.83 121.76 116.92 2fde s ALA 71 Ca 0.58 1.61 0.00 0.00 0.00 0.00 0.00 51.96 54.15 2fde s ALA 71 Cb -0.12 -0.74 0.03 0.00 0.00 0.00 0.00 23.12 22.29 2fde s ALA 71 CO 0.45 -0.31 -0.11 -1.50 0.00 0.00 0.00 175.76 174.30 2fde s ILE 72 N -0.87 1.51 0.00 0.00 2.07 -1.26 -0.39 121.20 122.25 2fde s ILE 72 Ca -0.02 -0.76 0.00 0.00 -1.41 0.00 0.00 60.65 58.45 2fde s ILE 72 Cb -0.01 -1.52 0.00 0.00 0.13 0.00 0.00 42.46 41.05 2fde s ILE 72 CO 0.02 0.29 0.00 0.61 -1.91 0.00 0.00 174.94 173.95 2fde n GLY 73 N 4.76 4.19 3.37 1.50 0.00 -1.11 -4.87 105.19 113.03 2fde n GLY 73 Ca -0.15 -0.83 -0.38 0.00 0.00 0.00 0.00 46.02 44.66 2fde n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2fde s THR 74 N -0.64 4.24 -0.13 2.61 2.01 -1.26 -1.38 115.64 121.09 2fde s THR 74 Ca 0.00 -0.71 -0.04 0.00 0.31 0.00 0.00 61.69 61.25 2fde s THR 74 Cb 0.00 -3.25 -0.03 0.00 0.01 0.00 0.00 72.50 69.23 2fde s THR 74 CO 0.00 -0.02 0.02 -0.69 -0.69 0.00 0.00 174.62 173.23 2fde s VAL 75 N 1.53 4.42 -0.25 3.82 1.01 0.70 -4.41 120.40 127.21 2fde s VAL 75 Ca 0.02 -0.19 -0.04 0.00 0.00 0.00 0.00 61.98 61.78 2fde s VAL 75 Cb -0.18 -2.91 0.01 0.00 0.00 0.00 0.00 36.38 33.30 2fde s VAL 75 CO 0.04 0.55 -0.01 -0.76 0.00 0.00 0.00 175.10 174.92 2fde s LEU 76 N -0.33 3.29 -0.12 3.92 1.43 -0.40 -0.88 118.68 125.59 2fde s LEU 76 Ca 0.07 -0.64 -0.11 0.00 -1.03 0.00 0.00 54.13 52.42 2fde s LEU 76 Cb -0.12 -1.76 -0.05 0.00 0.03 0.00 0.00 46.19 44.29 2fde s LEU 76 CO 0.02 -0.11 0.24 -0.69 0.23 0.00 0.00 176.35 176.04 2fde s VAL 77 N 1.44 5.33 0.00 -1.59 1.01 -0.39 -0.97 120.40 125.23 2fde s VAL 77 Ca 0.03 0.44 0.00 0.00 0.00 0.00 0.00 61.98 62.45 2fde s VAL 77 Cb -0.16 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.67 2fde s VAL 77 CO -0.02 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.20 2fde n GLY 78 N 2.64 -0.40 2.39 4.51 0.00 -0.46 0.01 105.19 113.89 2fde n GLY 78 Ca -0.16 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.82 2fde n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2fde n PRO 79 N -0.32 0.00 -3.19 1.61 -0.04 -1.26 -3.86 135.00 127.93 2fde n PRO 79 Ca 0.00 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.07 2fde n PRO 79 Cb 0.00 -1.45 -0.06 0.00 -0.04 0.00 0.00 33.50 31.95 2fde n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2fde s THR 80 N 2.65 4.64 0.58 0.52 -1.32 -1.26 -4.97 115.64 116.47 2fde s THR 80 Ca 0.00 1.34 0.28 0.00 -1.21 0.00 0.00 61.69 62.10 2fde s THR 80 Cb 0.00 -3.96 0.35 0.00 -1.51 0.00 0.00 72.50 67.38 2fde s THR 80 CO 0.00 0.53 2.24 1.55 -2.21 0.00 0.00 174.62 176.73 2fde h PRO 81 N 4.43 0.00 -4.07 7.08 0.13 -1.98 -3.41 132.00 134.18 2fde h PRO 81 Ca -0.49 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.51 2fde h PRO 81 Cb 1.21 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.21 2fde h PRO 81 CO 0.64 0.00 -0.41 0.14 -0.23 0.00 0.00 178.00 178.14 2fde s VAL 82 N -4.66 0.06 0.27 1.56 -7.23 -1.26 -5.03 120.40 104.11 2fde s VAL 82 Ca -0.05 -1.57 -0.29 0.00 -1.81 0.00 0.00 61.98 58.26 2fde s VAL 82 Cb 0.15 -1.98 -0.09 0.00 0.56 0.00 0.00 36.38 35.02 2fde s VAL 82 CO 0.56 -0.29 0.97 0.20 -0.31 0.00 0.00 175.10 176.23 2fde s ASN 83 N -3.01 7.50 -0.04 4.85 0.01 -1.26 -4.56 114.94 118.43 2fde s ASN 83 Ca 0.21 1.99 0.01 0.00 -0.71 0.00 0.00 52.86 54.36 2fde s ASN 83 Cb 0.04 -2.61 0.02 0.00 0.41 0.00 0.00 41.25 39.11 2fde s ASN 83 CO 0.02 0.05 -0.05 -0.63 -1.51 0.00 0.00 177.10 174.97 2fde s ILE 84 N -1.27 0.57 -0.25 0.60 1.01 0.44 -0.66 121.20 121.65 2fde s ILE 84 Ca 0.44 -0.17 -0.07 0.00 0.00 0.00 0.00 60.65 60.84 2fde s ILE 84 Cb -0.26 -0.57 -0.03 0.00 0.01 0.00 0.00 42.46 41.61 2fde s ILE 84 CO 0.32 0.22 0.07 -0.63 0.00 0.00 0.00 174.94 174.93 2fde s ILE 85 N 0.73 4.37 0.42 2.92 -1.09 -0.05 -0.98 121.20 127.53 2fde s ILE 85 Ca -0.10 -0.15 0.08 0.00 -2.23 0.00 0.00 60.65 58.25 2fde s ILE 85 Cb -0.13 -3.04 0.00 0.00 -1.58 0.00 0.00 42.46 37.71 2fde s ILE 85 CO 0.00 0.34 0.51 -0.83 -1.23 0.00 0.00 174.94 173.74 2fde s GLY 86 N 1.57 2.01 0.57 6.18 0.00 -1.19 -1.07 107.32 115.39 2fde s GLY 86 Ca 0.06 -1.74 0.33 0.00 0.00 0.00 0.00 44.72 43.38 2fde s GLY 86 CO 0.04 -1.56 1.69 3.21 0.00 0.00 0.00 173.10 176.49 2fde h ARG 87 N 0.76 0.00 0.00 2.90 3.08 -0.72 0.43 114.38 120.83 2fde h ARG 87 Ca -0.40 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.63 2fde h ARG 87 Cb 1.28 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.32 2fde h ARG 87 CO 0.49 0.00 -0.06 -2.95 -1.07 0.00 0.00 179.97 176.38 2fde h ASN 88 N 0.00 0.00 0.00 7.04 -1.07 -1.78 -1.15 115.58 118.62 2fde h ASN 88 Ca 0.48 0.00 -0.44 0.00 0.07 0.00 0.00 56.30 56.41 2fde h ASN 88 Cb 2.25 0.00 -0.07 0.00 -2.07 0.00 0.00 38.32 38.43 2fde h ASN 88 CO -0.01 0.06 -2.49 0.18 0.07 0.00 0.00 177.43 175.24 2fde n LEU 89 N -4.44 2.17 -0.34 6.14 4.32 0.13 -4.35 117.00 120.63 2fde n LEU 89 Ca -0.03 0.21 0.36 0.00 -0.02 0.00 0.00 56.01 56.54 2fde n LEU 89 Cb 0.14 -0.82 0.73 0.00 -1.62 0.00 0.00 43.42 41.85 2fde n LEU 89 CO 0.34 0.65 1.34 -0.07 -1.22 0.00 0.00 177.39 178.43 2fde h LEU 90 N -0.72 0.00 -0.49 2.23 3.38 -0.95 0.72 115.31 119.47 2fde h LEU 90 Ca -0.66 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.18 2fde h LEU 90 Cb 1.67 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.41 2fde h LEU 90 CO -0.33 0.00 -0.25 0.74 0.09 0.00 0.00 178.44 178.69 2fde h THR 91 N 0.00 1.27 -0.03 0.22 2.02 -1.40 -1.13 112.91 113.86 2fde h THR 91 Ca 0.59 -1.41 -0.09 0.00 0.77 0.00 0.00 66.41 66.27 2fde h THR 91 Cb 2.51 1.17 -0.01 0.00 -1.74 0.00 0.00 68.15 70.08 2fde h THR 91 CO -0.01 0.48 -0.39 1.56 0.37 0.00 0.00 175.52 177.54 2fde h GLN 92 N 0.83 0.06 -0.65 6.66 4.20 0.26 -2.62 115.11 123.85 2fde h GLN 92 Ca 0.10 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.79 2fde h GLN 92 Cb 0.83 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.60 2fde h GLN 92 CO 0.07 0.44 0.00 0.44 -0.67 0.00 0.00 178.83 179.11 2fde n ILE 93 N -4.07 1.79 -3.67 2.54 -5.35 -1.18 -4.94 119.36 104.49 2fde n ILE 93 Ca -0.02 -1.02 -0.21 0.00 -0.27 0.00 0.00 62.75 61.23 2fde n ILE 93 Cb 0.43 -0.11 0.04 0.00 -1.74 0.00 0.00 39.64 38.27 2fde n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2fde n GLY 94 N 0.78 -0.33 3.86 3.28 0.00 -0.99 -4.98 105.19 106.81 2fde n GLY 94 Ca 0.22 0.13 -0.33 0.00 0.00 0.00 0.00 46.02 46.04 2fde n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fde s THR 96 N -1.86 0.07 0.12 0.00 -4.23 -1.26 -4.79 115.64 103.69 2fde s THR 96 Ca 0.50 -0.59 -0.06 0.00 -1.18 0.00 0.00 61.69 60.35 2fde s THR 96 Cb -0.11 -0.99 -0.06 0.00 1.34 0.00 0.00 72.50 72.69 2fde s THR 96 CO 0.19 -0.32 0.38 -0.76 -0.54 0.00 0.00 174.62 173.57 2fde s LEU 97 N -2.15 4.29 -0.09 4.79 1.43 -1.26 -5.07 118.68 120.63 2fde s LEU 97 Ca -0.04 0.65 -0.16 0.00 -1.03 0.00 0.00 54.13 53.56 2fde s LEU 97 Cb -0.00 -3.18 0.03 0.00 0.03 0.00 0.00 46.19 43.07 2fde s LEU 97 CO -0.04 0.10 0.39 0.20 0.23 0.00 0.00 176.35 177.22 2fde s ASN 98 N -2.18 -0.34 0.00 2.29 -0.87 -1.26 -5.28 114.94 107.30 2fde s ASN 98 Ca 0.38 0.50 0.00 0.00 -1.57 0.00 0.00 52.86 52.17 2fde s ASN 98 Cb -0.13 0.59 0.00 0.00 -0.02 0.00 0.00 41.25 41.69 2fde s ASN 98 CO 0.22 -0.30 0.00 2.22 -2.57 0.00 0.00 177.10 176.67