#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ieu n LYS 2 N 0.00 0.60 -0.10 0.11 5.02 -1.26 -5.17 118.16 117.36 1ieu n LYS 2 Ca 0.00 -1.28 -0.06 0.00 -2.02 0.00 0.00 58.31 54.95 1ieu n LYS 2 Cb 0.00 1.68 0.06 0.00 -0.02 0.00 0.00 35.03 36.75 1ieu n LYS 2 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1ieu n ASP 3 N -1.21 -2.02 -4.56 4.39 2.03 -1.26 -4.71 116.55 109.21 1ieu n ASP 3 Ca -0.03 -0.34 -0.22 0.00 0.52 0.00 0.00 54.79 54.72 1ieu n ASP 3 Cb 0.44 -0.20 -0.06 0.00 -0.72 0.00 0.00 41.12 40.58 1ieu n ASP 3 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1ieu s VAL 4 N -1.28 3.15 -0.29 5.18 1.01 -1.26 -4.90 120.40 122.01 1ieu s VAL 4 Ca 0.14 -0.09 -0.22 0.00 0.00 0.00 0.00 61.98 61.81 1ieu s VAL 4 Cb -0.02 -3.36 -0.01 0.00 0.00 0.00 0.00 36.38 33.00 1ieu s VAL 4 CO 0.11 -0.34 0.71 -0.75 0.00 0.00 0.00 175.10 174.84 1ieu s LYS 5 N 8.15 4.01 0.35 2.72 2.20 -1.26 -4.68 119.74 131.23 1ieu s LYS 5 Ca 0.85 0.54 -0.25 0.00 -0.36 0.00 0.00 55.97 56.76 1ieu s LYS 5 Cb -0.12 -3.70 -0.10 0.00 -1.51 0.00 0.00 37.83 32.40 1ieu s LYS 5 CO 0.09 -0.57 0.96 0.71 -0.36 0.00 0.00 175.35 176.18 1ieu s TYR 6 N 2.74 3.58 -0.11 4.03 2.02 -1.26 -2.91 117.35 125.45 1ieu s TYR 6 Ca 0.29 1.74 0.02 0.00 -0.37 0.00 0.00 57.07 58.75 1ieu s TYR 6 Cb -0.15 -2.94 -0.01 0.00 -0.40 0.00 0.00 41.96 38.46 1ieu s TYR 6 CO 0.11 0.06 -0.17 0.71 -1.57 0.00 0.00 175.55 174.69 1ieu s TYR 7 N -1.71 2.71 0.77 2.71 1.51 -1.10 -4.77 117.35 117.47 1ieu s TYR 7 Ca 0.53 -0.69 -0.14 0.00 -1.01 0.00 0.00 57.07 55.76 1ieu s TYR 7 Cb -0.17 -1.77 0.06 0.00 -0.11 0.00 0.00 41.96 39.97 1ieu s TYR 7 CO 0.22 -0.21 1.23 0.95 -1.11 0.00 0.00 175.55 176.63 1ieu s THR 8 N 0.18 2.03 0.54 -0.71 -4.23 -1.26 -3.61 115.64 108.58 1ieu s THR 8 Ca -0.10 0.02 0.24 0.00 -1.18 0.00 0.00 61.69 60.67 1ieu s THR 8 Cb -0.16 -2.57 0.37 0.00 1.34 0.00 0.00 72.50 71.49 1ieu s THR 8 CO 0.06 -0.01 2.03 -0.07 -0.54 0.00 0.00 174.62 176.09 1ieu h LEU 9 N -0.54 0.00 0.16 4.79 -0.00 -1.99 -0.68 115.31 117.05 1ieu h LEU 9 Ca -0.47 0.00 -0.30 0.00 -0.00 0.00 0.00 57.88 57.11 1ieu h LEU 9 Cb 1.31 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.98 1ieu h LEU 9 CO 0.48 0.00 -1.36 -0.33 -0.00 0.00 0.00 178.44 177.23 1ieu h GLU 10 N 0.00 0.34 0.00 1.13 5.08 -1.93 -1.89 114.58 117.31 1ieu h GLU 10 Ca 0.19 -0.58 -0.01 0.00 -1.00 0.00 0.00 59.36 57.96 1ieu h GLU 10 Cb 0.79 0.21 -0.00 0.00 0.50 0.00 0.00 28.75 30.26 1ieu h GLU 10 CO -0.00 1.26 -0.07 1.49 -1.00 0.00 0.00 179.01 180.69 1ieu h GLU 11 N 0.09 0.00 0.00 2.33 4.57 -1.46 -1.68 114.58 118.43 1ieu h GLU 11 Ca -0.19 0.00 -0.32 0.00 -1.18 0.00 0.00 59.36 57.67 1ieu h GLU 11 Cb 2.03 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 30.56 1ieu h GLU 11 CO 0.21 0.07 -1.96 -0.89 -1.18 0.00 0.00 179.01 175.26 1ieu n ILE 12 N -4.22 1.53 -0.10 2.32 5.41 -0.97 -4.08 119.36 119.25 1ieu n ILE 12 Ca -0.03 -0.82 0.02 0.00 1.00 0.00 0.00 62.75 62.92 1ieu n ILE 12 Cb 0.15 -0.83 0.21 0.00 -0.71 0.00 0.00 39.64 38.46 1ieu n ILE 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1ieu n GLN 13 N -2.94 3.01 -1.54 0.38 6.02 -0.71 -4.19 117.38 117.41 1ieu n GLN 13 Ca -0.23 -1.77 -0.23 0.00 -0.01 0.00 0.00 57.00 54.76 1ieu n GLN 13 Cb 1.09 -1.90 0.08 0.00 1.02 0.00 0.00 30.24 30.53 1ieu n GLN 13 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 1ieu n LYS 14 N 0.25 2.93 0.00 -1.09 4.81 -0.67 -4.80 118.16 119.58 1ieu n LYS 14 Ca 0.18 -3.68 0.00 0.00 -0.87 0.00 0.00 58.31 53.94 1ieu n LYS 14 Cb 0.84 -2.18 0.00 0.00 0.02 0.00 0.00 35.03 33.71 1ieu n LYS 14 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1ieu n HIS 15 N -0.87 0.00 -2.19 5.64 8.25 -1.26 -4.98 115.22 119.81 1ieu n HIS 15 Ca 0.47 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.79 1ieu n HIS 15 Cb 0.90 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.99 1ieu n HIS 15 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1ieu n LYS 16 N -0.66 -1.90 0.08 -0.41 5.02 -1.26 -4.81 118.16 114.21 1ieu n LYS 16 Ca 0.00 0.74 0.12 0.00 -2.02 0.00 0.00 58.31 57.15 1ieu n LYS 16 Cb 0.00 -5.28 0.21 0.00 -0.02 0.00 0.00 35.03 29.95 1ieu n LYS 16 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 1ieu h ASP 17 N 0.00 0.00 -2.88 4.39 5.19 -1.93 -3.47 116.42 117.71 1ieu h ASP 17 Ca -0.33 -0.15 -0.38 0.00 -0.62 0.00 0.00 57.03 55.54 1ieu h ASP 17 Cb 1.18 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.68 1ieu h ASP 17 CO 0.41 0.08 -0.50 -0.24 -3.12 0.00 0.00 179.24 175.87 1ieu n SER 18 N -2.21 -5.55 0.00 6.45 2.88 -1.26 -4.74 113.62 109.20 1ieu n SER 18 Ca 0.04 -0.04 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 1ieu n SER 18 Cb 0.45 -4.57 0.00 0.00 -0.75 0.00 0.00 64.21 59.34 1ieu n SER 18 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1ieu n LYS 19 N -2.94 0.00 -3.35 -1.46 4.81 -1.26 -5.02 118.16 108.94 1ieu n LYS 19 Ca -0.21 0.00 -0.25 0.00 -0.87 0.00 0.00 58.31 56.97 1ieu n LYS 19 Cb 0.67 -0.16 -0.09 0.00 0.02 0.00 0.00 35.03 35.46 1ieu n LYS 19 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1ieu s SER 20 N -3.60 1.27 0.41 3.14 0.15 -1.26 -4.76 113.70 109.05 1ieu s SER 20 Ca 0.00 -2.93 0.03 0.00 0.70 0.00 0.00 55.95 53.76 1ieu s SER 20 Cb 0.00 -0.26 -0.03 0.00 -1.71 0.00 0.00 66.02 64.02 1ieu s SER 20 CO 0.00 -0.17 0.09 0.28 1.20 0.00 0.00 173.24 174.65 1ieu s THR 21 N 0.17 0.81 0.33 6.45 -1.32 -1.26 -4.88 115.64 115.94 1ieu s THR 21 Ca 0.32 -2.00 0.08 0.00 -1.21 0.00 0.00 61.69 58.88 1ieu s THR 21 Cb 0.02 -2.40 -0.06 0.00 -1.51 0.00 0.00 72.50 68.55 1ieu s THR 21 CO -0.18 0.00 -0.06 0.26 -2.21 0.00 0.00 174.62 172.43 1ieu s TRP 22 N -3.16 2.27 -0.06 9.09 0.51 -1.26 -2.80 118.94 123.53 1ieu s TRP 22 Ca 0.23 -0.60 -0.04 0.00 -2.12 0.00 0.00 56.10 53.56 1ieu s TRP 22 Cb 0.03 -1.36 0.02 0.00 -0.81 0.00 0.00 33.47 31.36 1ieu s TRP 22 CO 0.13 0.45 0.14 0.08 -0.51 0.00 0.00 176.95 177.24 1ieu s VAL 23 N -2.77 -0.02 0.10 4.03 1.01 -0.81 -4.88 120.40 117.06 1ieu s VAL 23 Ca 0.32 0.06 -0.18 0.00 0.00 0.00 0.00 61.98 62.18 1ieu s VAL 23 Cb 0.04 -0.22 -0.07 0.00 0.00 0.00 0.00 36.38 36.13 1ieu s VAL 23 CO 0.15 0.02 0.56 -0.63 0.00 0.00 0.00 175.10 175.21 1ieu s ILE 24 N 0.44 4.78 0.00 2.22 1.01 -1.26 -1.37 121.20 127.02 1ieu s ILE 24 Ca -0.03 1.08 0.00 0.00 0.00 0.00 0.00 60.65 61.70 1ieu s ILE 24 Cb -0.04 -3.84 0.00 0.00 0.01 0.00 0.00 42.46 38.59 1ieu s ILE 24 CO -0.02 0.44 0.00 0.18 0.00 0.00 0.00 174.94 175.54 1ieu n LEU 25 N 1.38 0.47 0.00 2.97 7.99 -1.17 -3.96 117.00 124.69 1ieu n LEU 25 Ca -0.08 0.01 0.00 0.00 -0.01 0.00 0.00 56.01 55.92 1ieu n LEU 25 Cb 0.51 -0.05 0.00 0.00 -0.11 0.00 0.00 43.42 43.77 1ieu n LEU 25 CO 0.41 -0.05 -0.47 0.00 -1.51 0.00 0.00 177.39 175.78 1ieu n HIS 26 N -1.43 0.00 -2.16 -1.77 1.44 -1.26 -4.76 115.22 105.28 1ieu n HIS 26 Ca 0.00 0.00 -0.01 0.00 -2.01 0.00 0.00 57.72 55.70 1ieu n HIS 26 Cb 0.00 0.00 0.01 0.00 0.12 0.00 0.00 29.99 30.12 1ieu n HIS 26 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 1ieu n HIS 27 N -1.83 -0.31 -3.82 -1.40 -0.00 -1.26 -5.13 115.22 101.47 1ieu n HIS 27 Ca 0.00 -0.32 -0.09 0.00 -0.00 0.00 0.00 57.72 57.31 1ieu n HIS 27 Cb 0.40 0.60 -0.07 0.00 -0.00 0.00 0.00 29.99 30.93 1ieu n HIS 27 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 1ieu s LYS 28 N 0.02 0.88 -0.13 1.57 1.02 -1.26 -3.94 119.74 117.90 1ieu s LYS 28 Ca 0.01 -0.90 -0.06 0.00 0.02 0.00 0.00 55.97 55.04 1ieu s LYS 28 Cb 0.07 0.36 -0.04 0.00 -0.52 0.00 0.00 37.83 37.70 1ieu s LYS 28 CO -0.02 -0.29 0.08 0.08 -0.92 0.00 0.00 175.35 174.28 1ieu s VAL 29 N -3.82 4.96 -0.36 3.17 1.01 -0.99 -3.02 120.40 121.35 1ieu s VAL 29 Ca 0.04 0.01 -0.01 0.00 0.00 0.00 0.00 61.98 62.02 1ieu s VAL 29 Cb 0.04 -3.17 0.09 0.00 0.00 0.00 0.00 36.38 33.35 1ieu s VAL 29 CO -0.11 0.56 0.11 -0.31 0.00 0.00 0.00 175.10 175.35 1ieu s TYR 30 N -0.49 3.54 -0.87 5.22 1.51 -0.47 -2.24 117.35 123.55 1ieu s TYR 30 Ca 0.11 -2.41 -0.25 0.00 -1.01 0.00 0.00 57.07 53.50 1ieu s TYR 30 Cb -0.12 -2.85 -0.02 0.00 -0.11 0.00 0.00 41.96 38.86 1ieu s TYR 30 CO 0.02 -0.92 1.79 0.34 -1.11 0.00 0.00 175.55 175.66 1ieu s ASP 31 N 1.46 5.52 -0.47 2.29 2.15 -0.19 -1.93 116.67 125.50 1ieu s ASP 31 Ca 0.05 -0.67 0.03 0.00 0.43 0.00 0.00 52.55 52.39 1ieu s ASP 31 Cb -0.21 -2.56 0.59 0.00 -0.30 0.00 0.00 42.92 40.44 1ieu s ASP 31 CO -0.04 -2.37 1.90 0.18 -0.17 0.00 0.00 175.17 174.67 1ieu n LEU 32 N 12.41 6.75 0.20 -1.34 4.77 -1.12 -4.46 117.00 134.22 1ieu n LEU 32 Ca 0.33 -3.63 0.04 0.00 -0.03 0.00 0.00 56.01 52.72 1ieu n LEU 32 Cb 0.49 -0.86 0.44 0.00 -2.33 0.00 0.00 43.42 41.17 1ieu n LEU 32 CO 0.64 1.11 0.84 0.74 -1.33 0.00 0.00 177.39 179.38 1ieu h THR 33 N 0.95 1.18 0.00 -5.08 2.02 -1.86 -2.12 112.91 108.01 1ieu h THR 33 Ca 0.60 -0.86 -0.16 0.00 0.77 0.00 0.00 66.41 66.76 1ieu h THR 33 Cb 2.36 1.45 -0.03 0.00 -1.74 0.00 0.00 68.15 70.19 1ieu h THR 33 CO 1.14 0.25 -1.30 0.11 0.37 0.00 0.00 175.52 176.09 1ieu h LYS 34 N 0.02 0.00 -0.41 6.66 1.57 -1.91 -3.35 116.57 119.14 1ieu h LYS 34 Ca 0.00 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.81 1ieu h LYS 34 Cb 0.44 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.72 1ieu h LYS 34 CO 0.03 0.31 0.22 0.35 -0.57 0.00 0.00 179.45 179.79 1ieu h PHE 35 N 0.00 0.42 0.00 -1.35 3.04 -1.68 0.57 116.94 117.94 1ieu h PHE 35 Ca -0.14 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 61.81 1ieu h PHE 35 Cb 1.55 -0.13 -0.00 0.00 2.56 0.00 0.00 35.95 39.93 1ieu h PHE 35 CO 0.00 0.23 -0.07 1.37 -2.02 0.00 0.00 178.31 177.82 1ieu h LEU 36 N 0.45 0.00 -3.49 0.59 8.10 -1.65 -2.20 115.31 117.11 1ieu h LEU 36 Ca 0.17 0.00 -0.35 0.00 0.11 0.00 0.00 57.88 57.81 1ieu h LEU 36 Cb 0.04 0.00 -0.25 0.00 -0.44 0.00 0.00 40.66 40.01 1ieu h LEU 36 CO -0.10 0.07 -0.52 1.21 -4.11 0.00 0.00 178.44 174.99 1ieu n GLU 37 N -4.06 2.72 0.02 0.17 2.13 -0.22 -4.70 120.64 116.69 1ieu n GLU 37 Ca -0.03 -3.73 0.00 0.00 0.66 0.00 0.00 57.16 54.06 1ieu n GLU 37 Cb 0.15 -2.02 0.00 0.00 0.27 0.00 0.00 31.44 29.84 1ieu n GLU 37 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1ieu n GLU 38 N -0.90 0.00 -3.85 5.31 -0.58 0.18 -4.95 120.64 115.85 1ieu n GLU 38 Ca 0.36 0.00 -0.32 0.00 -0.42 0.00 0.00 57.16 56.79 1ieu n GLU 38 Cb 0.88 -0.40 -0.12 0.00 -0.57 0.00 0.00 31.44 31.23 1ieu n GLU 38 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 1ieu s HIS 39 N -2.00 3.38 -1.10 -0.32 3.76 -1.19 -5.03 115.29 112.79 1ieu s HIS 39 Ca 0.00 -3.08 -0.20 0.00 -0.15 0.00 0.00 55.06 51.63 1ieu s HIS 39 Cb 0.00 -2.93 0.09 0.00 1.11 0.00 0.00 32.58 30.84 1ieu s HIS 39 CO 0.00 -0.73 1.46 -1.25 -0.85 0.00 0.00 174.74 173.38 1ieu s PRO 40 N -0.57 3.77 -0.12 8.40 0.04 -1.26 -4.69 135.00 140.57 1ieu s PRO 40 Ca 0.19 -1.68 0.11 0.00 0.04 0.00 0.00 61.00 59.66 1ieu s PRO 40 Cb -0.19 -5.28 -0.15 0.00 0.04 0.00 0.00 34.50 28.92 1ieu s PRO 40 CO -0.05 -2.08 0.04 0.41 0.04 0.00 0.00 177.00 175.36 1ieu n GLY 41 N 5.85 -0.59 0.00 0.56 0.00 -1.26 -5.02 105.19 104.73 1ieu n GLY 41 Ca 0.36 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1ieu n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ieu n GLY 42 N 2.26 1.93 3.93 -0.02 0.00 -1.26 -5.13 105.19 106.90 1ieu n GLY 42 Ca -0.20 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.62 1ieu n GLY 42 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ieu s GLU 43 N -0.43 2.77 -0.52 1.61 2.12 -1.26 -5.00 118.70 117.99 1ieu s GLU 43 Ca 0.00 -1.30 -0.04 0.00 0.36 0.00 0.00 54.97 53.99 1ieu s GLU 43 Cb 0.00 -2.59 0.03 0.00 0.26 0.00 0.00 34.13 31.83 1ieu s GLU 43 CO 0.00 -0.10 2.83 0.39 -0.54 0.00 0.00 175.26 177.83 1ieu n GLU 44 N -1.61 2.64 -2.20 4.30 1.02 -1.26 -4.97 120.64 118.56 1ieu n GLU 44 Ca 0.03 -2.33 -0.39 0.00 -0.02 0.00 0.00 57.16 54.45 1ieu n GLU 44 Cb 0.60 -2.19 -0.02 0.00 -0.02 0.00 0.00 31.44 29.81 1ieu n GLU 44 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1ieu s VAL 45 N -1.69 2.93 -1.72 2.62 -7.23 -1.26 -2.55 120.40 111.51 1ieu s VAL 45 Ca 0.59 0.82 0.00 0.00 -1.81 0.00 0.00 61.98 61.58 1ieu s VAL 45 Cb 0.35 -3.48 0.00 0.00 0.56 0.00 0.00 36.38 33.81 1ieu s VAL 45 CO -0.18 0.11 0.00 0.18 -0.31 0.00 0.00 175.10 174.90 1ieu n LEU 46 N 0.20 -1.79 0.05 1.32 4.32 -1.26 -4.85 117.00 114.99 1ieu n LEU 46 Ca 0.03 0.06 -0.09 0.00 -0.02 0.00 0.00 56.01 56.00 1ieu n LEU 46 Cb 0.45 -2.82 -0.13 0.00 -1.62 0.00 0.00 43.42 39.30 1ieu n LEU 46 CO 0.53 -0.29 -0.04 -0.09 -1.22 0.00 0.00 177.39 176.29 1ieu h ARG 47 N 0.00 0.04 0.00 3.23 9.65 -1.76 -3.48 114.38 122.06 1ieu h ARG 47 Ca -0.46 -0.07 -0.29 0.00 -1.10 0.00 0.00 59.98 58.06 1ieu h ARG 47 Cb 1.34 0.03 -0.07 0.00 -1.39 0.00 0.00 29.97 29.87 1ieu h ARG 47 CO 0.55 0.93 -0.20 0.39 2.80 0.00 0.00 179.97 184.44 1ieu n GLU 48 N -3.32 0.53 -2.73 0.20 1.02 -1.26 -5.16 120.64 109.92 1ieu n GLU 48 Ca -0.05 -2.54 -0.21 0.00 -0.02 0.00 0.00 57.16 54.34 1ieu n GLU 48 Cb 0.98 2.33 0.07 0.00 -0.02 0.00 0.00 31.44 34.80 1ieu n GLU 48 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1ieu s GLN 49 N -2.82 2.16 -0.77 3.49 1.11 -1.26 -4.84 119.66 116.73 1ieu s GLN 49 Ca 0.28 -1.13 -0.26 0.00 0.01 0.00 0.00 55.36 54.26 1ieu s GLN 49 Cb -0.00 -2.48 -0.09 0.00 -1.01 0.00 0.00 33.01 29.43 1ieu s GLN 49 CO 0.20 -1.01 2.24 0.00 0.01 0.00 0.00 175.29 176.72 1ieu s ALA 50 N -2.87 1.20 -0.12 6.09 0.00 -1.25 -4.61 121.76 120.20 1ieu s ALA 50 Ca 0.62 -0.87 0.09 0.00 0.00 0.00 0.00 51.96 51.80 1ieu s ALA 50 Cb -0.07 -4.52 -0.14 0.00 0.00 0.00 0.00 23.12 18.39 1ieu s ALA 50 CO 0.40 -5.26 0.01 0.41 0.00 0.00 0.00 175.76 171.33 1ieu n GLY 51 N 6.62 -0.54 0.00 0.00 0.00 -1.26 -4.84 105.19 105.18 1ieu n GLY 51 Ca 0.41 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.25 1ieu n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ieu n GLY 52 N 2.34 -1.09 2.04 -0.02 0.00 -1.26 -5.01 105.19 102.18 1ieu n GLY 52 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1ieu n GLY 52 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ieu n ASP 53 N 0.00 -0.65 -0.02 1.61 -0.08 -1.26 -5.03 116.55 111.11 1ieu n ASP 53 Ca 0.00 0.14 -0.02 0.00 -1.51 0.00 0.00 54.79 53.40 1ieu n ASP 53 Cb 0.00 1.00 -0.01 0.00 2.34 0.00 0.00 41.12 44.46 1ieu n ASP 53 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ieu n ALA 54 N -2.65 0.33 -0.30 -1.67 0.00 -1.26 -4.91 120.51 110.05 1ieu n ALA 54 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.07 1ieu n ALA 54 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.46 1ieu n ALA 54 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1ieu n THR 55 N -2.95 0.00 -2.36 0.00 -2.24 -1.26 -4.61 114.28 100.85 1ieu n THR 55 Ca -0.03 0.02 -0.21 0.00 -2.27 0.00 0.00 64.05 61.56 1ieu n THR 55 Cb 0.12 -0.88 -0.01 0.00 -2.10 0.00 0.00 70.33 67.45 1ieu n THR 55 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1ieu n GLU 56 N -2.06 -1.66 0.00 -0.78 4.07 -1.26 -4.41 120.64 114.54 1ieu n GLU 56 Ca 0.00 1.03 0.00 0.00 -0.06 0.00 0.00 57.16 58.13 1ieu n GLU 56 Cb 0.00 -5.68 0.00 0.00 -0.06 0.00 0.00 31.44 25.70 1ieu n GLU 56 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1ieu n ASN 57 N -1.98 0.00 -3.76 4.31 5.03 -1.26 -4.75 115.26 112.86 1ieu n ASN 57 Ca -0.25 0.00 -0.29 0.00 0.87 0.00 0.00 54.58 54.91 1ieu n ASN 57 Cb 0.69 0.22 -0.16 0.00 -1.02 0.00 0.00 39.78 39.52 1ieu n ASN 57 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.26 176.15 1ieu s PHE 58 N -0.67 1.44 -0.31 3.10 -0.71 -1.26 -4.01 117.98 115.56 1ieu s PHE 58 Ca 0.00 -1.30 0.01 0.00 -1.04 0.00 0.00 56.93 54.61 1ieu s PHE 58 Cb 0.00 -1.35 0.15 0.00 -1.21 0.00 0.00 43.02 40.61 1ieu s PHE 58 CO 0.00 -0.73 0.35 -2.00 -1.34 0.00 0.00 175.22 171.50 1ieu s GLU 59 N 1.71 0.44 0.91 1.99 2.12 -1.26 -4.92 118.70 119.69 1ieu s GLU 59 Ca 0.02 -0.25 -0.12 0.00 0.36 0.00 0.00 54.97 54.99 1ieu s GLU 59 Cb -0.17 -0.56 0.13 0.00 0.26 0.00 0.00 34.13 33.79 1ieu s GLU 59 CO -0.15 -1.08 1.11 0.34 -0.54 0.00 0.00 175.26 174.95 1ieu s ASP 60 N 2.17 3.49 0.00 -1.70 2.15 -1.26 -5.00 116.67 116.52 1ieu s ASP 60 Ca 0.11 1.18 0.00 0.00 0.43 0.00 0.00 52.55 54.27 1ieu s ASP 60 Cb -0.14 -1.83 0.00 0.00 -0.30 0.00 0.00 42.92 40.66 1ieu s ASP 60 CO -0.25 -2.59 0.41 0.55 -0.17 0.00 0.00 175.17 173.13 1ieu n VAL 61 N -3.82 0.16 0.17 1.11 3.14 -1.26 -4.64 118.33 113.20 1ieu n VAL 61 Ca 0.06 -0.33 0.04 0.00 -2.96 0.00 0.00 64.34 61.15 1ieu n VAL 61 Cb 0.57 1.25 0.46 0.00 -1.06 0.00 0.00 33.84 35.07 1ieu n VAL 61 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 1ieu h GLY 62 N 0.00 0.13 -7.69 7.55 0.00 -2.04 -3.31 103.07 97.72 1ieu h GLY 62 Ca 0.00 -0.07 -0.73 0.00 0.00 0.00 0.00 47.33 46.52 1ieu h GLY 62 CO 0.00 0.07 1.32 0.30 0.00 0.00 0.00 176.54 178.23 1ieu s HIS 63 N -4.74 3.45 -0.49 5.60 3.76 -1.26 -4.86 115.29 116.75 1ieu s HIS 63 Ca -0.05 -2.05 0.04 0.00 -0.15 0.00 0.00 55.06 52.85 1ieu s HIS 63 Cb 0.16 -4.32 0.16 0.00 1.11 0.00 0.00 32.58 29.69 1ieu s HIS 63 CO 0.71 -1.41 0.35 -1.54 -0.85 0.00 0.00 174.74 172.00 1ieu s SER 64 N 2.94 2.85 0.00 1.40 1.04 -1.25 -4.35 113.70 116.32 1ieu s SER 64 Ca 0.42 -3.12 0.00 0.00 0.48 0.00 0.00 55.95 53.73 1ieu s SER 64 Cb -0.03 -0.85 0.00 0.00 0.10 0.00 0.00 66.02 65.24 1ieu s SER 64 CO -0.01 -0.18 0.00 1.07 0.98 0.00 0.00 173.24 175.10 1ieu n THR 65 N 2.85 0.00 0.00 2.02 5.66 -1.26 -5.00 114.28 118.54 1ieu n THR 65 Ca 0.22 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.22 1ieu n THR 65 Cb 0.41 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.19 1ieu n THR 65 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1ieu n ASP 66 N -0.64 0.91 -2.06 1.09 9.92 -1.26 -5.09 116.55 119.40 1ieu n ASP 66 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1ieu n ASP 66 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1ieu n ASP 66 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ieu n ALA 67 N -2.34 0.00 -3.18 2.24 0.00 -1.26 -5.10 120.51 110.87 1ieu n ALA 67 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 1ieu n ALA 67 Cb 0.23 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.66 1ieu n ALA 67 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1ieu s ARG 68 N -1.50 0.53 0.45 0.00 0.52 -1.26 -4.77 118.95 112.92 1ieu s ARG 68 Ca 0.00 0.72 0.00 0.00 -0.52 0.00 0.00 55.73 55.93 1ieu s ARG 68 Cb 0.00 0.28 0.00 0.00 0.52 0.00 0.00 34.95 35.75 1ieu s ARG 68 CO 0.00 -0.82 0.00 -1.91 0.02 0.00 0.00 175.30 172.59 1ieu n GLU 69 N 5.41 -3.76 0.02 3.54 2.13 -1.26 -4.56 120.64 122.17 1ieu n GLU 69 Ca 0.01 2.82 0.08 0.00 0.66 0.00 0.00 57.16 60.73 1ieu n GLU 69 Cb 0.52 -3.24 0.34 0.00 0.27 0.00 0.00 31.44 29.33 1ieu n GLU 69 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 1ieu n LEU 70 N -1.21 0.10 -4.56 4.31 7.94 -1.26 -4.58 117.00 117.74 1ieu n LEU 70 Ca 0.00 0.52 -0.24 0.00 -1.11 0.00 0.00 56.01 55.19 1ieu n LEU 70 Cb 0.08 -0.51 -0.05 0.00 0.53 0.00 0.00 43.42 43.46 1ieu n LEU 70 CO 0.00 -0.29 1.39 -0.94 -1.11 0.00 0.00 177.39 176.44 1ieu s SER 71 N -3.18 4.60 0.00 1.96 1.04 -1.26 -3.50 113.70 113.35 1ieu s SER 71 Ca 0.07 -0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.38 1ieu s SER 71 Cb 0.10 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.67 1ieu s SER 71 CO 0.29 -3.16 0.00 2.29 0.98 0.00 0.00 173.24 173.64 1ieu n LYS 72 N 8.89 0.00 -1.23 4.02 2.85 -1.26 -4.94 118.16 126.49 1ieu n LYS 72 Ca 0.40 0.00 -0.25 0.00 -1.05 0.00 0.00 58.31 57.41 1ieu n LYS 72 Cb 0.47 0.00 0.17 0.00 -0.65 0.00 0.00 35.03 35.02 1ieu n LYS 72 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 177.40 174.98 1ieu n THR 73 N -1.26 3.25 -1.85 0.58 5.66 -1.23 -4.18 114.28 115.24 1ieu n THR 73 Ca 0.00 -2.06 0.00 0.00 -3.05 0.00 0.00 64.05 58.94 1ieu n THR 73 Cb 0.00 -0.55 0.00 0.00 -1.55 0.00 0.00 70.33 68.23 1ieu n THR 73 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 175.07 170.80 1ieu n TYR 74 N -1.12 0.00 -3.96 1.09 4.01 -1.26 -5.02 117.16 110.89 1ieu n TYR 74 Ca 0.60 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 58.03 1ieu n TYR 74 Cb 1.54 0.05 -0.05 0.00 -0.31 0.00 0.00 39.34 40.58 1ieu n TYR 74 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1ieu s ILE 75 N 0.00 5.12 -0.07 -0.72 1.01 -1.26 -1.02 121.20 124.27 1ieu s ILE 75 Ca 0.00 -0.51 0.01 0.00 0.00 0.00 0.00 60.65 60.16 1ieu s ILE 75 Cb 0.00 -3.49 -0.05 0.00 0.01 0.00 0.00 42.46 38.93 1ieu s ILE 75 CO 0.00 0.14 -0.05 2.30 0.00 0.00 0.00 174.94 177.33 1ieu n ILE 76 N 0.35 0.39 -0.92 2.92 -5.35 -0.95 -4.74 119.36 111.06 1ieu n ILE 76 Ca -0.06 -0.17 0.00 0.00 -0.27 0.00 0.00 62.75 62.25 1ieu n ILE 76 Cb 0.51 -0.77 0.00 0.00 -1.74 0.00 0.00 39.64 37.64 1ieu n ILE 76 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ieu n GLY 77 N 3.07 2.70 1.92 3.28 0.00 -1.25 -4.58 105.19 110.34 1ieu n GLY 77 Ca -0.12 -0.30 -0.16 0.00 0.00 0.00 0.00 46.02 45.44 1ieu n GLY 77 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ieu n GLU 78 N 0.00 1.03 -3.79 1.61 1.02 -1.15 -2.34 120.64 117.03 1ieu n GLU 78 Ca 0.00 -1.97 -0.37 0.00 -0.02 0.00 0.00 57.16 54.80 1ieu n GLU 78 Cb 0.00 0.79 -0.07 0.00 -0.02 0.00 0.00 31.44 32.15 1ieu n GLU 78 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1ieu s LEU 79 N 0.00 4.35 0.36 -4.62 1.98 -1.25 -2.69 118.68 116.80 1ieu s LEU 79 Ca 0.06 0.46 -0.27 0.00 -2.89 0.00 0.00 54.13 51.49 1ieu s LEU 79 Cb 0.00 -2.14 -0.12 0.00 0.66 0.00 0.00 46.19 44.59 1ieu s LEU 79 CO 0.04 0.33 1.16 1.57 -1.89 0.00 0.00 176.35 177.56 1ieu n HIS 80 N 2.44 1.77 0.43 5.38 -0.00 -1.24 -4.79 115.22 119.20 1ieu n HIS 80 Ca -0.18 0.58 0.13 0.00 -0.00 0.00 0.00 57.72 58.25 1ieu n HIS 80 Cb 0.54 -2.33 0.49 0.00 -0.00 0.00 0.00 29.99 28.69 1ieu n HIS 80 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1ieu h PRO 81 N 2.10 0.00 -0.09 1.57 0.13 -1.96 -2.65 132.00 131.10 1ieu h PRO 81 Ca -0.45 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.71 1ieu h PRO 81 Cb 1.31 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.44 1ieu h PRO 81 CO 0.60 0.00 0.22 0.22 -0.23 0.00 0.00 178.00 178.81 1ieu h ASP 82 N 0.00 0.00 0.00 1.44 3.58 -2.00 -3.16 116.42 116.28 1ieu h ASP 82 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1ieu h ASP 82 Cb 0.48 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.53 1ieu h ASP 82 CO 0.00 0.00 -0.15 0.47 -2.88 0.00 0.00 179.24 176.68 1ieu n ASP 83 N -3.29 0.06 -2.30 2.28 9.92 -1.19 -4.87 116.55 117.17 1ieu n ASP 83 Ca -0.00 0.17 -0.24 0.00 -0.53 0.00 0.00 54.79 54.19 1ieu n ASP 83 Cb 0.30 0.10 -0.03 0.00 -0.64 0.00 0.00 41.12 40.85 1ieu n ASP 83 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1ieu n ARG 84 N -2.99 2.22 0.00 -1.24 3.00 -1.01 -4.58 116.66 112.06 1ieu n ARG 84 Ca 0.00 -2.11 0.00 0.00 -0.01 0.00 0.00 57.85 55.73 1ieu n ARG 84 Cb 0.07 -1.98 0.00 0.00 0.00 0.00 0.00 32.46 30.55 1ieu n ARG 84 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1ieu n SER 85 N 0.69 0.00 -1.37 0.55 2.88 -1.19 -4.67 113.62 110.52 1ieu n SER 85 Ca 0.43 0.10 -0.01 0.00 -1.33 0.00 0.00 58.87 58.07 1ieu n SER 85 Cb 0.57 -0.21 0.01 0.00 -0.75 0.00 0.00 64.21 63.83 1ieu n SER 85 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1ieu n LYS 86 N -1.54 0.17 -0.81 -1.46 4.81 -1.26 -4.99 118.16 113.06 1ieu n LYS 86 Ca 0.00 -0.20 0.06 0.00 -0.87 0.00 0.00 58.31 57.30 1ieu n LYS 86 Cb 0.00 0.20 0.16 0.00 0.02 0.00 0.00 35.03 35.41 1ieu n LYS 86 CO 0.00 0.00 0.00 0.44 1.17 0.00 0.00 177.40 179.01 1ieu n ILE 87 N -0.19 1.59 -3.01 3.15 -5.35 -1.26 -5.06 119.36 109.24 1ieu n ILE 87 Ca -0.04 -2.59 -0.27 0.00 -0.27 0.00 0.00 62.75 59.58 1ieu n ILE 87 Cb 0.49 0.09 -0.01 0.00 -1.74 0.00 0.00 39.64 38.47 1ieu n ILE 87 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1ieu s ALA 88 N -2.34 3.52 0.76 -1.28 0.00 -1.26 -5.07 121.76 116.08 1ieu s ALA 88 Ca 0.36 -0.58 -0.11 0.00 0.00 0.00 0.00 51.96 51.64 1ieu s ALA 88 Cb 0.37 -2.42 0.05 0.00 0.00 0.00 0.00 23.12 21.11 1ieu s ALA 88 CO -0.09 -0.09 1.08 0.15 0.00 0.00 0.00 175.76 176.81 1ieu s LYS 89 N -4.25 2.40 -0.11 0.00 1.02 -1.26 -5.02 119.74 112.52 1ieu s LYS 89 Ca 0.45 0.77 -0.03 0.00 0.02 0.00 0.00 55.97 57.18 1ieu s LYS 89 Cb -0.10 -1.94 -0.01 0.00 -0.52 0.00 0.00 37.83 35.25 1ieu s LYS 89 CO 0.37 -1.43 -0.06 -1.00 -0.92 0.00 0.00 175.35 172.31 1ieu h PRO 90 N -0.96 0.00 0.00 -1.68 0.13 -2.04 -3.50 132.00 123.95 1ieu h PRO 90 Ca -0.46 0.00 0.26 0.00 -0.87 0.00 0.00 66.00 64.93 1ieu h PRO 90 Cb 1.25 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.31 1ieu h PRO 90 CO 0.58 0.00 -0.34 0.43 -0.23 0.00 0.00 178.00 178.44 1ieu n SER 91 N -4.70 -7.72 -1.30 1.44 7.64 -1.26 -4.97 113.62 102.75 1ieu n SER 91 Ca -0.03 1.02 0.13 0.00 1.01 0.00 0.00 58.87 61.00 1ieu n SER 91 Cb 0.09 -2.86 -0.03 0.00 -1.01 0.00 0.00 64.21 60.40 1ieu n SER 91 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1ieu n GLU 92 N -3.47 -1.96 -3.14 1.43 4.71 -1.26 -4.77 120.64 112.17 1ieu n GLU 92 Ca 0.01 1.29 -0.31 0.00 -0.01 0.00 0.00 57.16 58.14 1ieu n GLU 92 Cb 0.43 -2.39 -0.04 0.00 -1.01 0.00 0.00 31.44 28.43 1ieu n GLU 92 CO 0.00 0.00 0.00 0.95 0.09 0.00 0.00 177.13 178.17 1ieu s THR 93 N -1.49 4.83 0.00 2.62 -4.23 -1.26 -5.31 115.64 110.80 1ieu s THR 93 Ca 0.00 0.58 0.00 0.00 -1.18 0.00 0.00 61.69 61.09 1ieu s THR 93 Cb 0.00 -3.67 0.00 0.00 1.34 0.00 0.00 72.50 70.17 1ieu s THR 93 CO 0.00 -0.29 0.16 -0.11 -0.54 0.00 0.00 174.62 173.84