#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fle s GLN 2 N 0.00 3.55 -0.13 0.54 0.74 -1.26 -5.09 119.66 118.00 2fle s GLN 2 Ca 0.00 -0.25 0.01 0.00 0.05 0.00 0.00 55.36 55.18 2fle s GLN 2 Cb 0.00 -3.13 0.02 0.00 1.10 0.00 0.00 33.01 30.99 2fle s GLN 2 CO 0.00 0.59 -0.17 0.42 -0.55 0.00 0.00 175.29 175.58 2fle s ILE 3 N -0.53 1.70 0.74 -2.34 1.01 -1.26 -5.13 121.20 115.40 2fle s ILE 3 Ca 0.11 -0.75 -0.08 0.00 0.00 0.00 0.00 60.65 59.93 2fle s ILE 3 Cb -0.12 -1.55 0.07 0.00 0.01 0.00 0.00 42.46 40.87 2fle s ILE 3 CO 0.02 0.48 1.07 0.42 0.00 0.00 0.00 174.94 176.94 2fle s THR 4 N 1.09 2.18 -0.21 2.92 -4.23 -1.26 -5.02 115.64 111.12 2fle s THR 4 Ca -0.03 -0.18 0.15 0.00 -1.18 0.00 0.00 61.69 60.45 2fle s THR 4 Cb -0.14 -3.00 0.48 0.00 1.34 0.00 0.00 72.50 71.18 2fle s THR 4 CO -0.05 0.00 1.38 0.18 -0.54 0.00 0.00 174.62 175.60 2fle n LEU 5 N -3.07 3.67 0.28 4.79 4.77 -1.26 -4.55 117.00 121.65 2fle n LEU 5 Ca 0.08 -3.29 0.18 0.00 -0.03 0.00 0.00 56.01 52.95 2fle n LEU 5 Cb 0.61 -0.55 0.75 0.00 -2.33 0.00 0.00 43.42 41.89 2fle n LEU 5 CO 0.54 0.88 1.01 -0.50 -1.33 0.00 0.00 177.39 177.98 2fle h TRP 6 N 1.23 0.00 -2.93 -1.77 4.06 -2.07 -3.43 115.95 111.05 2fle h TRP 6 Ca 0.07 0.00 -0.45 0.00 2.06 0.00 0.00 58.89 60.57 2fle h TRP 6 Cb 1.43 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.45 2fle h TRP 6 CO 0.58 0.02 -0.64 -0.65 -3.56 0.00 0.00 178.44 174.20 2fle s GLN 7 N -3.75 1.55 0.23 0.49 -1.52 -1.26 -5.10 119.66 110.28 2fle s GLN 7 Ca 0.00 -1.82 -0.31 0.00 -1.95 0.00 0.00 55.36 51.28 2fle s GLN 7 Cb 0.10 -0.86 -0.10 0.00 -0.22 0.00 0.00 33.01 31.92 2fle s GLN 7 CO 0.53 -0.11 1.53 1.03 -0.25 0.00 0.00 175.29 178.02 2fle s ARG 8 N -3.85 4.21 -1.25 2.91 0.52 -1.26 -4.87 118.95 115.36 2fle s ARG 8 Ca 0.33 2.39 -0.19 0.00 -0.52 0.00 0.00 55.73 57.74 2fle s ARG 8 Cb 0.07 -3.11 0.01 0.00 0.52 0.00 0.00 34.95 32.44 2fle s ARG 8 CO 0.13 -0.54 1.85 -0.35 0.02 0.00 0.00 175.30 176.40 2fle n PRO 9 N 2.94 2.59 -3.57 3.54 -0.04 -1.26 -4.95 135.00 134.25 2fle n PRO 9 Ca 0.10 -2.91 -0.36 0.00 -0.04 0.00 0.00 63.50 60.29 2fle n PRO 9 Cb 0.39 -3.53 -0.06 0.00 -0.04 0.00 0.00 33.50 30.26 2fle n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2fle s LEU 10 N 6.11 4.40 0.14 1.53 1.43 -1.26 -0.74 118.68 130.29 2fle s LEU 10 Ca 0.58 0.83 -0.00 0.00 -1.03 0.00 0.00 54.13 54.51 2fle s LEU 10 Cb 0.04 -2.78 -0.04 0.00 0.03 0.00 0.00 46.19 43.44 2fle s LEU 10 CO 0.09 0.24 0.04 0.68 0.23 0.00 0.00 176.35 177.63 2fle s VAL 11 N -1.26 0.30 -0.09 -1.59 -7.23 -0.30 -4.95 120.40 105.28 2fle s VAL 11 Ca 0.28 -1.93 -0.11 0.00 -1.81 0.00 0.00 61.98 58.41 2fle s VAL 11 Cb -0.15 -2.06 -0.05 0.00 0.56 0.00 0.00 36.38 34.68 2fle s VAL 11 CO 0.15 -0.48 0.27 -0.89 -0.31 0.00 0.00 175.10 173.84 2fle s THR 12 N -3.91 5.29 0.16 5.32 2.01 -1.26 -1.10 115.64 122.14 2fle s THR 12 Ca 0.24 0.50 0.06 0.00 0.31 0.00 0.00 61.69 62.80 2fle s THR 12 Cb 0.07 -3.57 -0.04 0.00 0.01 0.00 0.00 72.50 68.97 2fle s THR 12 CO 0.02 0.54 -0.14 0.27 -0.69 0.00 0.00 174.62 174.63 2fle s ILE 13 N -0.60 1.46 -0.11 1.82 -4.36 0.26 -1.02 121.20 118.65 2fle s ILE 13 Ca 0.18 -1.95 0.01 0.00 -0.26 0.00 0.00 60.65 58.63 2fle s ILE 13 Cb -0.14 -1.78 0.02 0.00 1.25 0.00 0.00 42.46 41.81 2fle s ILE 13 CO 0.07 -0.53 -0.14 -0.75 0.24 0.00 0.00 174.94 173.83 2fle s LYS 14 N -3.20 2.09 -0.12 0.37 2.20 -0.35 -1.49 119.74 119.24 2fle s LYS 14 Ca 0.15 -0.51 -0.10 0.00 -0.36 0.00 0.00 55.97 55.15 2fle s LYS 14 Cb -0.02 -1.82 0.04 0.00 -1.51 0.00 0.00 37.83 34.52 2fle s LYS 14 CO 0.04 -0.09 0.32 -1.50 -0.36 0.00 0.00 175.35 173.76 2fle s ILE 15 N 1.07 -0.01 -1.65 5.43 2.07 -0.38 -1.45 121.20 126.27 2fle s ILE 15 Ca -0.05 0.04 -0.02 0.00 -1.41 0.00 0.00 60.65 59.21 2fle s ILE 15 Cb -0.15 -0.45 0.00 0.00 0.13 0.00 0.00 42.46 41.99 2fle s ILE 15 CO -0.02 0.02 0.21 0.61 -1.91 0.00 0.00 174.94 173.84 2fle n GLY 16 N 3.31 -0.51 2.66 1.50 0.00 -1.26 -1.21 105.19 109.68 2fle n GLY 16 Ca -0.16 0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.90 2fle n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fle n GLY 17 N -1.17 0.37 3.51 -0.02 0.00 -1.26 -4.99 105.19 101.63 2fle n GLY 17 Ca -0.19 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.55 2fle n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2fle s GLN 18 N -0.71 1.85 -0.15 1.61 -0.21 -0.35 -5.13 119.66 116.57 2fle s GLN 18 Ca 0.00 -1.26 -0.07 0.00 0.02 0.00 0.00 55.36 54.05 2fle s GLN 18 Cb 0.00 -2.09 -0.04 0.00 1.00 0.00 0.00 33.01 31.88 2fle s GLN 18 CO 0.00 0.45 0.10 -0.51 -2.12 0.00 0.00 175.29 173.22 2fle s LEU 19 N -2.47 4.13 0.12 2.90 1.43 -1.26 -1.25 118.68 122.26 2fle s LEU 19 Ca 0.21 0.29 -0.09 0.00 -1.03 0.00 0.00 54.13 53.51 2fle s LEU 19 Cb -0.10 -2.02 -0.00 0.00 0.03 0.00 0.00 46.19 44.10 2fle s LEU 19 CO 0.12 0.30 0.22 -0.54 0.23 0.00 0.00 176.35 176.69 2fle s LYS 20 N -0.40 0.96 -0.12 1.70 1.02 -0.56 -5.00 119.74 117.33 2fle s LYS 20 Ca 0.11 -1.03 -0.04 0.00 0.02 0.00 0.00 55.97 55.02 2fle s LYS 20 Cb -0.12 0.36 -0.04 0.00 -0.52 0.00 0.00 37.83 37.51 2fle s LYS 20 CO 0.02 -0.32 0.03 -1.21 -0.92 0.00 0.00 175.35 172.94 2fle s GLU 21 N -3.90 3.37 0.06 1.68 2.02 -1.26 -0.57 118.70 120.10 2fle s GLU 21 Ca 0.09 -0.36 0.01 0.00 0.02 0.00 0.00 54.97 54.74 2fle s GLU 21 Cb 0.04 -2.97 -0.03 0.00 0.10 0.00 0.00 34.13 31.27 2fle s GLU 21 CO -0.07 0.56 -0.06 0.00 0.02 0.00 0.00 175.26 175.71 2fle s ALA 22 N -0.46 0.63 -0.13 5.21 0.00 -0.26 -4.57 121.76 122.19 2fle s ALA 22 Ca 0.09 -0.98 -0.21 0.00 0.00 0.00 0.00 51.96 50.86 2fle s ALA 22 Cb -0.12 0.12 -0.03 0.00 0.00 0.00 0.00 23.12 23.09 2fle s ALA 22 CO 0.02 -0.15 0.61 -1.17 0.00 0.00 0.00 175.76 175.08 2fle s LEU 23 N -2.18 4.24 -0.46 0.00 2.96 0.02 -1.15 118.68 122.10 2fle s LEU 23 Ca -0.02 0.95 -0.29 0.00 -0.22 0.00 0.00 54.13 54.55 2fle s LEU 23 Cb -0.03 -2.90 0.03 0.00 0.50 0.00 0.00 46.19 43.78 2fle s LEU 23 CO -0.03 -0.14 1.20 -0.76 -1.32 0.00 0.00 176.35 175.30 2fle s LEU 24 N 1.18 3.62 -0.37 -0.68 1.43 0.08 -0.54 118.68 123.41 2fle s LEU 24 Ca 0.31 0.54 0.03 0.00 -1.03 0.00 0.00 54.13 53.98 2fle s LEU 24 Cb -0.16 -3.55 0.11 0.00 0.03 0.00 0.00 46.19 42.62 2fle s LEU 24 CO 0.13 -1.29 0.10 -0.62 0.23 0.00 0.00 176.35 174.90 2fle s ASP 25 N 2.78 4.81 0.52 2.29 -1.08 -0.58 -4.78 116.67 120.62 2fle s ASP 25 Ca 0.51 -2.24 0.34 0.00 -0.52 0.00 0.00 52.55 50.63 2fle s ASP 25 Cb -0.08 -1.67 1.49 0.00 -1.46 0.00 0.00 42.92 41.19 2fle s ASP 25 CO 0.32 -0.39 2.00 0.71 0.52 0.00 0.00 175.17 178.33 2fle h THR 26 N 6.43 0.00 -0.00 1.71 1.35 -1.93 -2.68 112.91 117.78 2fle h THR 26 Ca -0.06 -0.37 0.00 0.00 -0.55 0.00 0.00 66.41 65.44 2fle h THR 26 Cb 1.01 1.31 0.00 0.00 -1.73 0.00 0.00 68.15 68.74 2fle h THR 26 CO 0.57 0.00 -0.17 0.61 -0.25 0.00 0.00 175.52 176.28 2fle n GLY 27 N -0.20 -1.38 3.70 5.82 0.00 -1.26 -4.82 105.19 107.05 2fle n GLY 27 Ca 0.00 -0.19 -0.36 0.00 0.00 0.00 0.00 46.02 45.47 2fle n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fle s ALA 28 N -2.96 3.63 0.19 4.61 0.00 -1.01 -4.97 121.76 121.25 2fle s ALA 28 Ca 0.14 -0.71 -0.05 0.00 0.00 0.00 0.00 51.96 51.35 2fle s ALA 28 Cb 0.19 -2.31 0.13 0.00 0.00 0.00 0.00 23.12 21.13 2fle s ALA 28 CO 0.58 -0.02 1.55 -0.44 0.00 0.00 0.00 175.76 177.43 2fle h ASP 29 N 7.04 0.74 -1.74 0.00 5.19 -1.88 0.17 116.42 125.95 2fle h ASP 29 Ca -0.39 -0.33 -0.57 0.00 -0.62 0.00 0.00 57.03 55.11 2fle h ASP 29 Cb 1.16 -0.21 -0.09 0.00 0.18 0.00 0.00 39.33 40.37 2fle h ASP 29 CO 0.72 1.05 -0.55 -1.81 -3.12 0.00 0.00 179.24 175.53 2fle s ASP 30 N -6.85 4.34 -0.24 6.45 1.01 -1.26 -3.07 116.67 117.05 2fle s ASP 30 Ca -0.09 -1.04 -0.08 0.00 0.71 0.00 0.00 52.55 52.06 2fle s ASP 30 Cb 0.12 -0.52 -0.03 0.00 1.01 0.00 0.00 42.92 43.49 2fle s ASP 30 CO 0.84 -0.41 0.08 -0.89 0.21 0.00 0.00 175.17 175.00 2fle s THR 31 N -2.56 4.47 -0.07 -1.27 2.01 -1.26 -2.91 115.64 114.06 2fle s THR 31 Ca 0.38 -0.12 0.02 0.00 0.31 0.00 0.00 61.69 62.28 2fle s THR 31 Cb 0.02 -3.08 0.02 0.00 0.01 0.00 0.00 72.50 69.47 2fle s THR 31 CO 0.21 0.36 -0.10 0.54 -0.69 0.00 0.00 174.62 174.94 2fle s VAL 32 N 1.37 1.02 0.13 3.82 0.11 -0.45 -0.92 120.40 125.47 2fle s VAL 32 Ca 0.05 -0.40 0.08 0.00 -2.93 0.00 0.00 61.98 58.79 2fle s VAL 32 Cb -0.15 -0.96 -0.04 0.00 -1.53 0.00 0.00 36.38 33.71 2fle s VAL 32 CO 0.04 0.33 -0.13 -0.76 -3.33 0.00 0.00 175.10 171.25 2fle s LEU 33 N 0.82 2.89 0.97 2.54 1.43 0.84 -0.07 118.68 128.10 2fle s LEU 33 Ca -0.12 -0.51 -0.11 0.00 -1.03 0.00 0.00 54.13 52.36 2fle s LEU 33 Cb -0.15 -1.67 0.18 0.00 0.03 0.00 0.00 46.19 44.57 2fle s LEU 33 CO 0.02 0.16 1.11 -1.61 0.23 0.00 0.00 176.35 176.25 2fle s GLU 34 N -2.35 0.59 -0.21 1.70 2.02 -1.26 -2.11 118.70 117.08 2fle s GLU 34 Ca 0.21 1.29 -0.40 0.00 0.02 0.00 0.00 54.97 56.08 2fle s GLU 34 Cb -0.10 -1.70 -0.17 0.00 0.10 0.00 0.00 34.13 32.26 2fle s GLU 34 CO 0.13 -2.84 1.57 -1.91 0.02 0.00 0.00 175.26 172.23 2fle n GLU 35 N -4.35 0.86 -3.92 1.61 4.07 -1.16 -4.58 120.64 113.17 2fle n GLU 35 Ca 0.09 0.32 -0.09 0.00 -0.06 0.00 0.00 57.16 57.41 2fle n GLU 35 Cb 0.53 -1.94 -0.05 0.00 -0.06 0.00 0.00 31.44 29.92 2fle n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2fle s MET 36 N 2.44 1.47 -0.44 5.31 0.23 -1.26 -5.04 119.30 122.01 2fle s MET 36 Ca 0.96 -1.13 -0.22 0.00 -1.03 0.00 0.00 55.69 54.27 2fle s MET 36 Cb -1.13 0.48 0.02 0.00 -1.53 0.00 0.00 34.83 32.67 2fle s MET 36 CO 0.63 -0.61 0.72 0.45 -2.03 0.00 0.00 175.02 174.18 2fle s SER 37 N -2.97 6.38 0.06 -1.18 0.15 -1.26 -5.04 113.70 109.84 2fle s SER 37 Ca 0.18 -0.18 0.07 0.00 0.70 0.00 0.00 55.95 56.72 2fle s SER 37 Cb -0.01 -2.36 -0.03 0.00 -1.71 0.00 0.00 66.02 61.92 2fle s SER 37 CO 0.05 -0.84 -0.20 -0.76 1.20 0.00 0.00 173.24 172.69 2fle s LEU 38 N 3.06 2.22 0.32 3.45 1.43 -1.26 -4.88 118.68 123.02 2fle s LEU 38 Ca 0.27 -0.57 -0.03 0.00 -1.03 0.00 0.00 54.13 52.77 2fle s LEU 38 Cb -0.13 -0.87 -0.04 0.00 0.03 0.00 0.00 46.19 45.17 2fle s LEU 38 CO 0.21 0.10 0.56 -2.16 0.23 0.00 0.00 176.35 175.28 2fle s PRO 39 N -1.44 3.56 0.00 1.29 0.04 -1.26 -5.02 135.00 132.17 2fle s PRO 39 Ca 0.06 -0.13 0.00 0.00 0.04 0.00 0.00 61.00 60.97 2fle s PRO 39 Cb -0.09 -2.64 0.00 0.00 0.04 0.00 0.00 34.50 31.80 2fle s PRO 39 CO 0.03 0.17 0.00 0.41 0.04 0.00 0.00 177.00 177.64 2fle n GLY 40 N -1.35 -3.69 3.86 0.56 0.00 -1.26 -5.01 105.19 98.30 2fle n GLY 40 Ca -0.03 -2.14 -0.32 0.00 0.00 0.00 0.00 46.02 43.54 2fle n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2fle s LYS 41 N -0.91 3.81 0.08 1.61 1.02 -1.26 -5.08 119.74 119.01 2fle s LYS 41 Ca 0.00 0.84 -0.16 0.00 0.02 0.00 0.00 55.97 56.67 2fle s LYS 41 Cb 0.00 -2.13 0.03 0.00 -0.52 0.00 0.00 37.83 35.20 2fle s LYS 41 CO 0.00 -0.36 0.37 1.67 -0.92 0.00 0.00 175.35 176.10 2fle s TRP 42 N -2.81 -0.17 0.23 3.18 1.48 -1.26 -4.69 118.94 114.90 2fle s TRP 42 Ca 0.57 -0.05 0.10 0.00 -1.06 0.00 0.00 56.10 55.67 2fle s TRP 42 Cb -0.10 0.19 -0.04 0.00 -1.16 0.00 0.00 33.47 32.35 2fle s TRP 42 CO 0.40 -0.61 -0.13 0.15 -4.06 0.00 0.00 176.95 172.69 2fle s LYS 43 N -3.21 1.91 0.28 3.25 1.02 -0.94 -4.86 119.74 117.19 2fle s LYS 43 Ca -0.01 -1.48 -0.28 0.00 0.02 0.00 0.00 55.97 54.22 2fle s LYS 43 Cb 0.01 -2.00 -0.09 0.00 -0.52 0.00 0.00 37.83 35.23 2fle s LYS 43 CO -0.08 0.39 0.96 -2.14 -0.92 0.00 0.00 175.35 173.56 2fle s PRO 44 N -3.15 4.71 0.05 -1.68 0.02 -1.26 -0.49 135.00 133.20 2fle s PRO 44 Ca 0.27 1.46 -0.17 0.00 0.02 0.00 0.00 61.00 62.58 2fle s PRO 44 Cb -0.07 -3.07 0.03 0.00 0.02 0.00 0.00 34.50 31.41 2fle s PRO 44 CO 0.15 0.38 0.40 0.21 -0.33 0.00 0.00 177.00 177.81 2fle s LYS 45 N -1.57 0.91 -0.08 5.54 2.20 -0.77 -4.89 119.74 121.08 2fle s LYS 45 Ca 0.45 -0.39 0.04 0.00 -0.36 0.00 0.00 55.97 55.72 2fle s LYS 45 Cb -0.24 0.40 -0.00 0.00 -1.51 0.00 0.00 37.83 36.49 2fle s LYS 45 CO 0.30 -0.31 -0.22 -1.64 -0.36 0.00 0.00 175.35 173.12 2fle s MET 46 N -2.50 2.58 0.14 4.03 -1.94 -1.26 -0.86 119.30 119.49 2fle s MET 46 Ca -0.05 -0.78 0.11 0.00 -1.71 0.00 0.00 55.69 53.25 2fle s MET 46 Cb -0.01 -2.04 -0.04 0.00 2.01 0.00 0.00 34.83 34.75 2fle s MET 46 CO -0.03 0.21 -0.25 0.96 -0.01 0.00 0.00 175.02 175.90 2fle s ILE 47 N 0.25 2.17 0.25 2.53 -4.36 -0.95 -4.97 121.20 116.13 2fle s ILE 47 Ca -0.13 -1.78 0.06 0.00 -0.26 0.00 0.00 60.65 58.54 2fle s ILE 47 Cb -0.16 -1.95 -0.03 0.00 1.25 0.00 0.00 42.46 41.57 2fle s ILE 47 CO 0.06 0.02 0.27 -0.83 0.24 0.00 0.00 174.94 174.70 2fle s GLY 48 N -2.16 1.35 0.00 6.27 0.00 -1.26 -1.92 107.32 109.60 2fle s GLY 48 Ca 0.14 -1.36 0.00 0.00 0.00 0.00 0.00 44.72 43.50 2fle s GLY 48 CO 0.06 -1.38 0.00 0.61 0.00 0.00 0.00 173.10 172.39 2fle n GLY 49 N -1.28 3.18 0.37 0.20 0.00 0.59 -4.98 105.19 103.26 2fle n GLY 49 Ca -0.08 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.76 2fle n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2fle h ILE 50 N 0.65 1.18 -0.56 -0.61 6.09 -2.04 -3.11 117.51 119.11 2fle h ILE 50 Ca 0.00 -0.41 0.00 0.00 -1.37 0.00 0.00 64.86 63.08 2fle h ILE 50 Cb 0.00 -0.11 0.00 0.00 0.47 0.00 0.00 36.82 37.18 2fle h ILE 50 CO 0.00 0.22 0.00 0.61 -3.07 0.00 0.00 178.15 175.91 2fle n GLY 51 N -1.39 2.39 0.00 8.18 0.00 -1.26 -5.08 105.19 108.03 2fle n GLY 51 Ca 0.12 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.48 2fle n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fle n GLY 52 N 1.28 0.61 3.36 -0.02 0.00 -1.18 -5.10 105.19 104.15 2fle n GLY 52 Ca 0.20 -1.62 -0.27 0.00 0.00 0.00 0.00 46.02 44.33 2fle n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2fle s PHE 53 N -3.35 2.14 0.08 1.61 0.08 -1.26 -0.30 117.98 116.97 2fle s PHE 53 Ca 0.00 -0.39 0.05 0.00 0.12 0.00 0.00 56.93 56.71 2fle s PHE 53 Cb 0.00 -1.14 -0.03 0.00 -0.57 0.00 0.00 43.02 41.28 2fle s PHE 53 CO 0.00 0.33 -0.13 0.96 -0.10 0.00 0.00 175.22 176.28 2fle s ILE 54 N -1.25 1.08 -0.02 0.64 -4.36 -0.81 -4.98 121.20 111.49 2fle s ILE 54 Ca 0.13 -1.38 -0.16 0.00 -0.26 0.00 0.00 60.65 58.98 2fle s ILE 54 Cb -0.09 -1.13 -0.05 0.00 1.25 0.00 0.00 42.46 42.43 2fle s ILE 54 CO 0.06 -0.30 0.44 -0.75 0.24 0.00 0.00 174.94 174.63 2fle s LYS 55 N -1.98 4.06 0.20 0.37 2.47 -1.26 -2.23 119.74 121.37 2fle s LYS 55 Ca -0.00 0.45 -0.01 0.00 -1.56 0.00 0.00 55.97 54.84 2fle s LYS 55 Cb -0.08 -3.28 -0.04 0.00 -1.46 0.00 0.00 37.83 32.97 2fle s LYS 55 CO 0.02 0.55 0.14 0.14 0.16 0.00 0.00 175.35 176.36 2fle s VAL 56 N -0.65 0.00 -0.17 4.02 -7.23 -0.04 -4.32 120.40 112.02 2fle s VAL 56 Ca 0.24 -1.98 -0.07 0.00 -1.81 0.00 0.00 61.98 58.37 2fle s VAL 56 Cb -0.17 -2.49 -0.04 0.00 0.56 0.00 0.00 36.38 34.24 2fle s VAL 56 CO 0.13 0.00 0.05 -0.13 -0.31 0.00 0.00 175.10 174.84 2fle s ARG 57 N -4.14 3.82 -0.27 4.82 0.52 0.10 -1.85 118.95 121.95 2fle s ARG 57 Ca 0.39 -0.35 -0.10 0.00 -0.52 0.00 0.00 55.73 55.14 2fle s ARG 57 Cb 0.07 -3.14 -0.04 0.00 0.52 0.00 0.00 34.95 32.35 2fle s ARG 57 CO 0.12 0.35 0.16 -1.14 0.02 0.00 0.00 175.30 174.82 2fle s GLN 58 N 0.14 3.88 -0.18 3.54 0.74 0.36 -0.87 119.66 127.27 2fle s GLN 58 Ca 0.04 -0.36 -0.03 0.00 0.05 0.00 0.00 55.36 55.06 2fle s GLN 58 Cb -0.12 -3.59 -0.02 0.00 1.10 0.00 0.00 33.01 30.38 2fle s GLN 58 CO 0.01 -0.19 -0.05 0.71 -0.55 0.00 0.00 175.29 175.22 2fle s TYR 59 N 1.73 2.97 0.21 1.67 2.02 -0.04 -2.22 117.35 123.68 2fle s TYR 59 Ca 0.07 -0.57 0.04 0.00 -0.37 0.00 0.00 57.07 56.24 2fle s TYR 59 Cb -0.16 -2.01 -0.03 0.00 -0.40 0.00 0.00 41.96 39.36 2fle s TYR 59 CO 0.09 -0.25 0.32 -0.51 -1.57 0.00 0.00 175.55 173.63 2fle s ASP 60 N 0.81 6.26 -1.40 2.29 1.01 -1.26 -0.26 116.67 124.12 2fle s ASP 60 Ca -0.01 0.08 -0.00 0.00 0.71 0.00 0.00 52.55 53.32 2fle s ASP 60 Cb -0.15 -1.84 0.00 0.00 1.01 0.00 0.00 42.92 41.94 2fle s ASP 60 CO 0.02 -0.03 0.44 0.00 0.21 0.00 0.00 175.17 175.81 2fle n GLN 61 N -1.09 -3.44 -3.61 8.23 6.02 -1.16 -4.90 117.38 117.44 2fle n GLN 61 Ca -0.08 0.42 -0.37 0.00 -0.01 0.00 0.00 57.00 56.96 2fle n GLN 61 Cb 0.56 -4.59 -0.07 0.00 1.02 0.00 0.00 30.24 27.16 2fle n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2fle s ILE 62 N -3.93 5.30 0.01 5.09 -1.09 0.69 -4.74 121.20 122.52 2fle s ILE 62 Ca 0.01 0.51 -0.27 0.00 -2.23 0.00 0.00 60.65 58.67 2fle s ILE 62 Cb -0.00 -3.59 -0.04 0.00 -1.58 0.00 0.00 42.46 37.24 2fle s ILE 62 CO 0.88 0.48 0.84 -0.22 -1.23 0.00 0.00 174.94 175.69 2fle s LEU 63 N -0.15 4.39 -0.01 2.97 2.96 -1.26 -1.71 118.68 125.88 2fle s LEU 63 Ca 0.17 1.48 0.01 0.00 -0.22 0.00 0.00 54.13 55.57 2fle s LEU 63 Cb -0.13 -3.34 -0.00 0.00 0.50 0.00 0.00 46.19 43.22 2fle s LEU 63 CO 0.05 -0.12 -0.04 -0.63 -1.32 0.00 0.00 176.35 174.30 2fle s ILE 64 N 0.53 0.30 -0.33 6.68 1.01 0.25 -4.44 121.20 125.21 2fle s ILE 64 Ca 0.43 -0.15 -0.02 0.00 0.00 0.00 0.00 60.65 60.91 2fle s ILE 64 Cb -0.20 -0.27 0.06 0.00 0.01 0.00 0.00 42.46 42.07 2fle s ILE 64 CO 0.24 0.09 0.06 -0.70 0.00 0.00 0.00 174.94 174.63 2fle s GLU 65 N -0.01 2.32 -0.35 2.79 2.12 -0.53 -0.80 118.70 124.25 2fle s GLU 65 Ca 0.01 -1.40 -0.13 0.00 0.36 0.00 0.00 54.97 53.80 2fle s GLU 65 Cb -0.02 -3.30 -0.01 0.00 0.26 0.00 0.00 34.13 31.05 2fle s GLU 65 CO -0.00 -0.74 0.25 0.42 -0.54 0.00 0.00 175.26 174.65 2fle s ILE 66 N 1.23 5.28 -1.37 -3.70 1.01 0.11 -1.21 121.20 122.56 2fle s ILE 66 Ca -0.01 -0.24 -0.14 0.00 0.00 0.00 0.00 60.65 60.26 2fle s ILE 66 Cb -0.20 -3.74 0.13 0.00 0.01 0.00 0.00 42.46 38.66 2fle s ILE 66 CO -0.02 -0.04 0.52 0.00 0.00 0.00 0.00 174.94 175.41 2fle n GLY 68 N -1.10 0.72 3.27 0.00 0.00 -1.26 -5.06 105.19 101.76 2fle n GLY 68 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 2fle n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2fle s HIS 69 N -2.34 2.71 0.18 1.61 4.02 0.60 -5.11 115.29 116.95 2fle s HIS 69 Ca 0.00 -0.95 -0.19 0.00 1.02 0.00 0.00 55.06 54.94 2fle s HIS 69 Cb 0.00 -1.81 -0.08 0.00 -1.02 0.00 0.00 32.58 29.68 2fle s HIS 69 CO 0.00 -0.39 0.66 0.15 1.02 0.00 0.00 174.74 176.19 2fle s LYS 70 N 0.51 4.21 -0.03 1.40 1.02 -1.26 0.09 119.74 125.67 2fle s LYS 70 Ca -0.12 0.78 -0.18 0.00 0.02 0.00 0.00 55.97 56.48 2fle s LYS 70 Cb -0.16 -2.98 0.03 0.00 -0.52 0.00 0.00 37.83 34.20 2fle s LYS 70 CO 0.05 0.47 0.39 0.00 -0.92 0.00 0.00 175.35 175.33 2fle s ALA 71 N -1.42 -0.98 -0.08 5.17 0.00 0.02 -4.84 121.76 119.63 2fle s ALA 71 Ca 0.39 0.59 0.03 0.00 0.00 0.00 0.00 51.96 52.97 2fle s ALA 71 Cb -0.17 -0.01 0.01 0.00 0.00 0.00 0.00 23.12 22.94 2fle s ALA 71 CO 0.21 -0.27 -0.17 0.42 0.00 0.00 0.00 175.76 175.94 2fle s ILE 72 N -1.15 1.53 0.00 0.00 1.01 -1.26 -0.58 121.20 120.76 2fle s ILE 72 Ca -0.12 -0.71 -0.00 0.00 0.00 0.00 0.00 60.65 59.82 2fle s ILE 72 Cb -0.04 -1.36 0.00 0.00 0.01 0.00 0.00 42.46 41.07 2fle s ILE 72 CO 0.05 0.44 0.01 0.61 0.00 0.00 0.00 174.94 176.06 2fle n GLY 73 N 3.72 0.85 3.73 6.18 0.00 -0.69 -4.86 105.19 114.12 2fle n GLY 73 Ca -0.21 -0.86 -0.41 0.00 0.00 0.00 0.00 46.02 44.54 2fle n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2fle s THR 74 N -2.29 4.55 -0.05 2.61 2.01 -1.26 -0.22 115.64 120.99 2fle s THR 74 Ca 0.00 2.01 0.03 0.00 0.31 0.00 0.00 61.69 64.05 2fle s THR 74 Cb -0.00 -4.30 0.00 0.00 0.01 0.00 0.00 72.50 68.22 2fle s THR 74 CO 0.00 0.32 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.42 2fle s VAL 75 N 0.03 1.22 -0.07 3.82 1.01 0.64 -4.50 120.40 122.55 2fle s VAL 75 Ca 0.46 -0.58 -0.03 0.00 0.00 0.00 0.00 61.98 61.83 2fle s VAL 75 Cb -0.23 -1.07 -0.04 0.00 0.00 0.00 0.00 36.38 35.05 2fle s VAL 75 CO 0.29 0.36 0.06 -0.76 0.00 0.00 0.00 175.10 175.05 2fle s LEU 76 N 0.25 3.89 -0.09 3.92 1.43 -0.10 -0.86 118.68 127.12 2fle s LEU 76 Ca -0.07 0.23 0.02 0.00 -1.03 0.00 0.00 54.13 53.28 2fle s LEU 76 Cb -0.12 -2.02 0.01 0.00 0.03 0.00 0.00 46.19 44.09 2fle s LEU 76 CO 0.02 0.36 -0.14 -0.69 0.23 0.00 0.00 176.35 176.13 2fle s VAL 77 N -1.02 1.35 0.00 -1.59 1.01 -0.05 -0.12 120.40 119.99 2fle s VAL 77 Ca 0.17 -0.58 0.00 0.00 0.00 0.00 0.00 61.98 61.57 2fle s VAL 77 Cb -0.12 -1.24 0.00 0.00 0.00 0.00 0.00 36.38 35.03 2fle s VAL 77 CO 0.06 0.41 0.00 0.61 0.00 0.00 0.00 175.10 176.18 2fle n GLY 78 N 4.03 0.96 1.90 4.51 0.00 -0.90 0.01 105.19 115.71 2fle n GLY 78 Ca -0.20 -0.72 -0.04 0.00 0.00 0.00 0.00 46.02 45.06 2fle n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2fle n PRO 79 N 0.00 0.96 -2.73 1.61 -0.04 -1.26 -2.97 135.00 130.57 2fle n PRO 79 Ca 0.00 -0.30 -0.38 0.00 -0.04 0.00 0.00 63.50 62.78 2fle n PRO 79 Cb 0.00 -1.47 -0.06 0.00 -0.04 0.00 0.00 33.50 31.93 2fle n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2fle s THR 80 N 1.14 4.06 -0.54 0.52 -1.32 -1.26 -4.94 115.64 113.31 2fle s THR 80 Ca 0.20 1.85 0.23 0.00 -1.21 0.00 0.00 61.69 62.76 2fle s THR 80 Cb 0.10 -4.09 0.24 0.00 -1.51 0.00 0.00 72.50 67.23 2fle s THR 80 CO 0.00 0.27 1.69 -2.65 -2.21 0.00 0.00 174.62 171.73 2fle n PRO 81 N 0.88 0.18 -3.50 7.08 -0.02 -1.26 -4.63 135.00 133.73 2fle n PRO 81 Ca 0.01 0.40 -0.15 0.00 -2.02 0.00 0.00 63.50 61.73 2fle n PRO 81 Cb 0.49 -1.83 -0.05 0.00 -0.02 0.00 0.00 33.50 32.09 2fle n PRO 81 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2fle s ALA 82 N -3.28 -1.61 -0.05 3.55 0.00 -1.26 -5.07 121.76 114.04 2fle s ALA 82 Ca 0.05 0.88 -0.30 0.00 0.00 0.00 0.00 51.96 52.59 2fle s ALA 82 Cb 0.09 0.37 -0.03 0.00 0.00 0.00 0.00 23.12 23.55 2fle s ALA 82 CO 0.39 -0.53 1.22 -0.80 0.00 0.00 0.00 175.76 176.04 2fle s ASN 83 N -1.87 7.03 -0.12 0.00 0.01 -1.26 -4.60 114.94 114.13 2fle s ASN 83 Ca -0.06 1.84 0.03 0.00 -0.71 0.00 0.00 52.86 53.96 2fle s ASN 83 Cb -0.01 -2.56 0.00 0.00 0.41 0.00 0.00 41.25 39.10 2fle s ASN 83 CO -0.00 -0.60 -0.22 -0.63 -1.51 0.00 0.00 177.10 174.14 2fle s ILE 84 N 2.25 2.17 -0.39 0.60 1.01 0.90 -0.80 121.20 126.94 2fle s ILE 84 Ca 0.56 -0.97 -0.13 0.00 0.00 0.00 0.00 60.65 60.12 2fle s ILE 84 Cb -0.25 -1.85 0.02 0.00 0.01 0.00 0.00 42.46 40.39 2fle s ILE 84 CO 0.22 0.55 0.25 -0.63 0.00 0.00 0.00 174.94 175.34 2fle s ILE 85 N 0.49 4.99 0.66 2.92 -1.09 0.30 -1.34 121.20 128.13 2fle s ILE 85 Ca -0.15 -0.67 -0.01 0.00 -2.23 0.00 0.00 60.65 57.59 2fle s ILE 85 Cb -0.17 -3.75 0.13 0.00 -1.58 0.00 0.00 42.46 37.09 2fle s ILE 85 CO 0.05 -0.24 0.90 0.61 -1.23 0.00 0.00 174.94 175.04 2fle n GLY 86 N 5.09 0.48 0.32 6.18 0.00 -1.14 -1.52 105.19 114.60 2fle n GLY 86 Ca -0.12 -1.99 0.17 0.00 0.00 0.00 0.00 46.02 44.08 2fle n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2fle h ARG 87 N 0.00 0.00 0.00 1.61 3.08 -0.73 -1.53 114.38 116.81 2fle h ARG 87 Ca -0.30 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.73 2fle h ARG 87 Cb 1.07 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.12 2fle h ARG 87 CO 0.31 0.00 -0.10 -2.95 -1.07 0.00 0.00 179.97 176.16 2fle h ASN 88 N 0.00 0.00 0.00 7.04 -1.07 -1.80 -2.50 115.58 117.25 2fle h ASN 88 Ca 0.05 0.00 -0.26 0.00 0.07 0.00 0.00 56.30 56.15 2fle h ASN 88 Cb 0.29 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 36.49 2fle h ASN 88 CO -0.00 0.10 -1.99 0.18 0.07 0.00 0.00 177.43 175.79 2fle n LEU 89 N -3.81 0.60 -0.35 6.14 4.77 -0.74 -4.39 117.00 119.22 2fle n LEU 89 Ca -0.02 -0.02 0.02 0.00 -0.03 0.00 0.00 56.01 55.96 2fle n LEU 89 Cb 0.20 0.15 0.18 0.00 -2.33 0.00 0.00 43.42 41.62 2fle n LEU 89 CO 0.30 0.44 1.27 -0.07 -1.33 0.00 0.00 177.39 178.00 2fle h LEU 90 N 0.00 1.02 -1.13 2.23 3.38 -1.20 -1.10 115.31 118.51 2fle h LEU 90 Ca -0.39 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.56 2fle h LEU 90 Cb 1.83 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 42.33 2fle h LEU 90 CO 0.00 0.67 0.30 0.71 0.09 0.00 0.00 178.44 180.21 2fle h THR 91 N 1.16 1.21 0.00 0.22 1.35 -1.68 -1.64 112.91 113.54 2fle h THR 91 Ca 0.41 -0.60 -0.05 0.00 -0.55 0.00 0.00 66.41 65.62 2fle h THR 91 Cb 0.12 0.40 -0.01 0.00 -1.73 0.00 0.00 68.15 66.94 2fle h THR 91 CO -0.15 0.25 -0.23 1.56 -0.25 0.00 0.00 175.52 176.70 2fle h GLN 92 N 0.90 0.00 -0.69 4.72 4.20 -1.41 -2.37 115.11 120.47 2fle h GLN 92 Ca 0.22 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.93 2fle h GLN 92 Cb 0.11 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.89 2fle h GLN 92 CO -0.03 0.23 0.00 0.44 -0.67 0.00 0.00 178.83 178.80 2fle n ILE 93 N -3.76 0.92 -2.32 2.54 -5.35 -0.99 -4.94 119.36 105.46 2fle n ILE 93 Ca -0.01 -0.92 -0.11 0.00 -0.27 0.00 0.00 62.75 61.44 2fle n ILE 93 Cb 0.34 0.47 0.00 0.00 -1.74 0.00 0.00 39.64 38.71 2fle n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2fle n GLY 94 N 1.60 -0.02 3.72 3.28 0.00 -0.89 -5.00 105.19 107.88 2fle n GLY 94 Ca 0.23 -0.42 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 2fle n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fle s THR 96 N 0.53 0.97 -0.06 0.00 -4.23 -1.26 -4.70 115.64 106.89 2fle s THR 96 Ca 0.51 -1.87 -0.04 0.00 -1.18 0.00 0.00 61.69 59.11 2fle s THR 96 Cb -0.24 -1.62 -0.04 0.00 1.34 0.00 0.00 72.50 71.94 2fle s THR 96 CO 0.30 -0.71 0.13 -0.76 -0.54 0.00 0.00 174.62 173.04 2fle s LEU 97 N -2.86 4.20 -0.00 4.79 1.43 -1.26 -5.09 118.68 119.89 2fle s LEU 97 Ca 0.11 0.33 -0.00 0.00 -1.03 0.00 0.00 54.13 53.55 2fle s LEU 97 Cb 0.01 -2.26 0.01 0.00 0.03 0.00 0.00 46.19 43.98 2fle s LEU 97 CO -0.01 0.33 0.01 0.20 0.23 0.00 0.00 176.35 177.11 2fle s ASN 98 N -1.45 0.01 0.00 2.29 -0.87 -1.26 -5.29 114.94 108.38 2fle s ASN 98 Ca 0.20 0.01 0.00 0.00 -1.57 0.00 0.00 52.86 51.50 2fle s ASN 98 Cb -0.12 -0.01 0.00 0.00 -0.02 0.00 0.00 41.25 41.10 2fle s ASN 98 CO 0.11 -0.03 0.00 2.22 -2.57 0.00 0.00 177.10 176.83