#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i87 s LYS 2 N 0.00 0.98 0.14 0.11 2.20 -1.26 -5.18 119.74 116.73 1i87 s LYS 2 Ca 0.00 0.11 0.01 0.00 -0.36 0.00 0.00 55.97 55.73 1i87 s LYS 2 Cb 0.00 0.46 0.01 0.00 -1.51 0.00 0.00 37.83 36.79 1i87 s LYS 2 CO 0.00 -0.31 0.07 -0.40 -0.36 0.00 0.00 175.35 174.35 1i87 n ASP 3 N 0.92 1.73 -2.86 1.43 5.75 -1.26 -4.95 116.55 117.31 1i87 n ASP 3 Ca -0.19 -1.52 -0.00 0.00 -0.01 0.00 0.00 54.79 53.07 1i87 n ASP 3 Cb 0.57 0.02 -0.00 0.00 -1.03 0.00 0.00 41.12 40.68 1i87 n ASP 3 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 1i87 n VAL 4 N -0.68 -8.76 -2.44 2.12 0.31 -1.26 -4.98 118.33 102.64 1i87 n VAL 4 Ca -0.02 1.46 -0.30 0.00 -0.01 0.00 0.00 64.34 65.48 1i87 n VAL 4 Cb 0.16 -5.59 -0.01 0.00 -0.91 0.00 0.00 33.84 27.50 1i87 n VAL 4 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1i87 s LYS 5 N -1.32 3.66 -1.07 5.55 2.20 -1.26 -4.62 119.74 122.89 1i87 s LYS 5 Ca -0.02 0.51 -0.19 0.00 -0.36 0.00 0.00 55.97 55.91 1i87 s LYS 5 Cb 0.00 -2.27 0.11 0.00 -1.51 0.00 0.00 37.83 34.17 1i87 s LYS 5 CO 0.53 -0.28 1.37 0.71 -0.36 0.00 0.00 175.35 177.32 1i87 s TYR 6 N -2.77 3.01 0.17 4.03 2.02 -1.26 -1.72 117.35 120.83 1i87 s TYR 6 Ca 0.52 -1.46 -0.30 0.00 -0.37 0.00 0.00 57.07 55.46 1i87 s TYR 6 Cb -0.10 -4.47 -0.08 0.00 -0.40 0.00 0.00 41.96 36.91 1i87 s TYR 6 CO 0.43 -1.63 1.12 0.71 -1.57 0.00 0.00 175.55 174.61 1i87 s TYR 7 N 3.24 3.56 -0.11 2.71 1.51 -0.91 -4.52 117.35 122.82 1i87 s TYR 7 Ca 0.41 1.56 -0.18 0.00 -1.01 0.00 0.00 57.07 57.85 1i87 s TYR 7 Cb -0.02 -3.31 -0.04 0.00 -0.11 0.00 0.00 41.96 38.48 1i87 s TYR 7 CO -0.05 -0.73 0.47 0.95 -1.11 0.00 0.00 175.55 175.08 1i87 s THR 8 N -0.13 5.18 0.59 -0.71 -4.23 -1.26 0.10 115.64 115.18 1i87 s THR 8 Ca 0.50 0.94 0.29 0.00 -1.18 0.00 0.00 61.69 62.24 1i87 s THR 8 Cb -0.30 -3.81 0.36 0.00 1.34 0.00 0.00 72.50 70.10 1i87 s THR 8 CO 0.35 0.34 2.12 0.17 -0.54 0.00 0.00 174.62 177.06 1i87 h LEU 9 N 6.61 0.00 -1.13 4.79 8.10 -1.94 0.78 115.31 132.52 1i87 h LEU 9 Ca -0.42 0.00 0.03 0.00 0.11 0.00 0.00 57.88 57.60 1i87 h LEU 9 Cb 1.18 0.00 -0.05 0.00 -0.44 0.00 0.00 40.66 41.35 1i87 h LEU 9 CO 0.75 0.00 0.59 -0.33 -4.11 0.00 0.00 178.44 175.34 1i87 h GLU 10 N 0.00 1.12 0.00 0.17 4.39 -1.94 0.85 114.58 119.16 1i87 h GLU 10 Ca 0.07 -0.07 -0.17 0.00 0.34 0.00 0.00 59.36 59.54 1i87 h GLU 10 Cb 0.41 -0.25 -0.03 0.00 -0.10 0.00 0.00 28.75 28.78 1i87 h GLU 10 CO -0.00 0.74 -1.23 1.49 -1.16 0.00 0.00 179.01 178.85 1i87 h GLU 11 N 1.15 0.00 0.00 2.33 4.57 -1.30 -3.32 114.58 118.01 1i87 h GLU 11 Ca 0.35 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.53 1i87 h GLU 11 Cb -0.03 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.56 1i87 h GLU 11 CO -0.10 0.39 -0.27 0.82 -1.18 0.00 0.00 179.01 178.68 1i87 h ILE 12 N 0.00 0.00 -0.84 2.32 2.04 -0.60 -3.34 117.51 117.09 1i87 h ILE 12 Ca -0.13 -0.90 -0.43 0.00 1.00 0.00 0.00 64.86 64.40 1i87 h ILE 12 Cb 1.59 1.76 -0.16 0.00 -0.74 0.00 0.00 36.82 39.27 1i87 h ILE 12 CO 0.06 0.00 0.28 0.00 0.00 0.00 0.00 178.15 178.48 1i87 n GLN 13 N -2.83 2.27 -1.29 2.37 6.02 0.29 -3.87 117.38 120.34 1i87 n GLN 13 Ca 0.03 -2.05 -0.03 0.00 -0.01 0.00 0.00 57.00 54.94 1i87 n GLN 13 Cb 0.52 -2.06 0.00 0.00 1.02 0.00 0.00 30.24 29.72 1i87 n GLN 13 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 1i87 n LYS 14 N 1.07 0.28 -0.96 -1.09 4.81 -1.25 -5.00 118.16 116.01 1i87 n LYS 14 Ca 0.46 -0.62 0.00 0.00 -0.87 0.00 0.00 58.31 57.28 1i87 n LYS 14 Cb 0.61 0.41 0.00 0.00 0.02 0.00 0.00 35.03 36.07 1i87 n LYS 14 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1i87 n HIS 15 N -0.32 -2.33 -2.91 5.64 8.25 -1.25 -5.12 115.22 117.17 1i87 n HIS 15 Ca -0.14 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.08 1i87 n HIS 15 Cb 0.58 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.71 1i87 n HIS 15 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1i87 s LYS 16 N -1.38 3.12 -0.07 -0.41 1.02 -1.26 -5.02 119.74 115.73 1i87 s LYS 16 Ca 0.00 -0.35 0.08 0.00 0.02 0.00 0.00 55.97 55.72 1i87 s LYS 16 Cb 0.00 -2.51 -0.12 0.00 -0.52 0.00 0.00 37.83 34.67 1i87 s LYS 16 CO 0.00 -0.29 0.08 -3.47 -0.92 0.00 0.00 175.35 170.75 1i87 n ASP 17 N -2.14 2.78 0.27 2.83 -0.08 -1.26 -4.50 116.55 114.45 1i87 n ASP 17 Ca 0.01 0.00 0.10 0.00 -1.51 0.00 0.00 54.79 53.39 1i87 n ASP 17 Cb 0.57 0.90 0.72 0.00 2.34 0.00 0.00 41.12 45.66 1i87 n ASP 17 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 1i87 h SER 18 N 0.00 0.00 -5.30 1.67 4.64 -2.00 -3.45 113.55 109.12 1i87 h SER 18 Ca -0.18 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.02 1i87 h SER 18 Cb 1.28 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.25 1i87 h SER 18 CO 0.01 0.02 -0.33 -0.75 -0.87 0.00 0.00 176.83 174.91 1i87 s LYS 19 N -4.86 1.21 -0.80 4.77 2.20 -1.26 -4.99 119.74 116.01 1i87 s LYS 19 Ca -0.05 -1.24 -0.02 0.00 -0.36 0.00 0.00 55.97 54.31 1i87 s LYS 19 Cb 0.16 0.38 -0.00 0.00 -1.51 0.00 0.00 37.83 36.85 1i87 s LYS 19 CO 0.63 -0.45 0.68 0.45 -0.36 0.00 0.00 175.35 176.30 1i87 n SER 20 N -0.24 -6.64 -4.62 1.43 2.88 -1.26 -4.58 113.62 100.59 1i87 n SER 20 Ca -0.06 -0.45 -0.43 0.00 -1.33 0.00 0.00 58.87 56.61 1i87 n SER 20 Cb 0.63 -3.99 -0.02 0.00 -0.75 0.00 0.00 64.21 60.08 1i87 n SER 20 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1i87 s THR 21 N -3.04 4.18 -1.08 2.46 -1.32 -1.26 -4.73 115.64 110.85 1i87 s THR 21 Ca 0.04 1.30 -0.03 0.00 -1.21 0.00 0.00 61.69 61.79 1i87 s THR 21 Cb -0.01 -4.27 0.30 0.00 -1.51 0.00 0.00 72.50 67.01 1i87 s THR 21 CO 0.81 -0.59 1.65 0.79 -2.21 0.00 0.00 174.62 175.07 1i87 n TRP 22 N 7.69 2.44 -2.70 9.09 7.02 -1.24 -2.45 117.44 137.30 1i87 n TRP 22 Ca 0.14 -2.58 -0.32 0.00 -1.02 0.00 0.00 57.50 53.72 1i87 n TRP 22 Cb 0.47 -1.30 -0.05 0.00 -2.42 0.00 0.00 31.31 28.02 1i87 n TRP 22 CO 0.00 0.00 0.00 0.08 -2.02 0.00 0.00 177.69 175.75 1i87 s VAL 23 N -3.06 4.56 -0.03 -0.99 1.01 -0.74 -4.69 120.40 116.46 1i87 s VAL 23 Ca 0.35 1.15 0.06 0.00 0.00 0.00 0.00 61.98 63.53 1i87 s VAL 23 Cb 0.10 -3.67 -0.01 0.00 0.00 0.00 0.00 36.38 32.80 1i87 s VAL 23 CO 0.02 -0.49 -0.21 -0.63 0.00 0.00 0.00 175.10 173.79 1i87 s ILE 24 N -2.37 1.70 0.00 2.22 1.09 -1.26 0.69 121.20 123.27 1i87 s ILE 24 Ca 0.58 -0.90 0.00 0.00 -1.10 0.00 0.00 60.65 59.23 1i87 s ILE 24 Cb -0.10 -1.42 0.00 0.00 -1.06 0.00 0.00 42.46 39.88 1i87 s ILE 24 CO 0.24 0.48 0.00 0.18 -0.10 0.00 0.00 174.94 175.74 1i87 n LEU 25 N 2.75 1.60 0.01 2.97 7.99 -1.12 -4.95 117.00 126.25 1i87 n LEU 25 Ca -0.16 0.18 0.00 0.00 -0.01 0.00 0.00 56.01 56.01 1i87 n LEU 25 Cb 0.53 -0.20 0.00 0.00 -0.11 0.00 0.00 43.42 43.64 1i87 n LEU 25 CO 0.24 -0.20 -0.32 1.41 -1.51 0.00 0.00 177.39 177.01 1i87 n HIS 26 N -1.19 -0.10 -2.18 -1.77 8.25 -1.26 -4.72 115.22 112.24 1i87 n HIS 26 Ca 0.00 0.02 0.01 0.00 -0.26 0.00 0.00 57.72 57.49 1i87 n HIS 26 Cb 0.00 0.11 0.00 0.00 1.12 0.00 0.00 29.99 31.22 1i87 n HIS 26 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1i87 n HIS 27 N -3.01 0.00 -5.01 4.41 -0.00 -1.26 -5.02 115.22 105.33 1i87 n HIS 27 Ca 0.00 -0.21 -0.28 0.00 -0.00 0.00 0.00 57.72 57.24 1i87 n HIS 27 Cb 0.32 -0.04 -0.16 0.00 -0.00 0.00 0.00 29.99 30.11 1i87 n HIS 27 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 1i87 s LYS 28 N 0.00 1.84 -0.20 1.57 1.02 -1.26 -2.62 119.74 120.09 1i87 s LYS 28 Ca 0.12 -0.74 -0.16 0.00 0.02 0.00 0.00 55.97 55.22 1i87 s LYS 28 Cb 0.14 -1.69 -0.04 0.00 -0.52 0.00 0.00 37.83 35.72 1i87 s LYS 28 CO -0.06 0.39 0.41 0.08 -0.92 0.00 0.00 175.35 175.24 1i87 s VAL 29 N -0.31 5.19 -0.17 3.17 1.01 -0.14 -2.78 120.40 126.38 1i87 s VAL 29 Ca 0.03 0.73 -0.05 0.00 0.00 0.00 0.00 61.98 62.70 1i87 s VAL 29 Cb -0.10 -3.74 -0.03 0.00 0.00 0.00 0.00 36.38 32.51 1i87 s VAL 29 CO 0.01 0.25 -0.01 -0.31 0.00 0.00 0.00 175.10 175.04 1i87 s TYR 30 N 1.29 3.08 -0.99 5.22 1.51 0.22 -2.27 117.35 125.41 1i87 s TYR 30 Ca 0.20 -0.22 -0.04 0.00 -1.01 0.00 0.00 57.07 55.99 1i87 s TYR 30 Cb -0.15 -2.00 0.26 0.00 -0.11 0.00 0.00 41.96 39.96 1i87 s TYR 30 CO 0.08 -0.01 1.00 -3.47 -1.11 0.00 0.00 175.55 172.05 1i87 n ASP 31 N 3.60 4.97 -2.35 2.29 2.03 -0.96 -1.79 116.55 124.34 1i87 n ASP 31 Ca -0.17 -3.16 -0.23 0.00 0.52 0.00 0.00 54.79 51.75 1i87 n ASP 31 Cb 0.52 -1.17 -0.08 0.00 -0.72 0.00 0.00 41.12 39.66 1i87 n ASP 31 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1i87 n LEU 32 N 2.19 6.16 0.22 -2.67 4.32 -1.02 -4.49 117.00 121.70 1i87 n LEU 32 Ca 0.24 -3.82 0.08 0.00 -0.02 0.00 0.00 56.01 52.49 1i87 n LEU 32 Cb 0.37 -1.28 0.47 0.00 -1.62 0.00 0.00 43.42 41.36 1i87 n LEU 32 CO 0.46 1.71 0.79 0.00 -1.22 0.00 0.00 177.39 179.13 1i87 h THR 33 N 1.97 0.72 -0.00 -5.08 1.03 -1.91 -1.38 112.91 108.26 1i87 h THR 33 Ca 0.34 -1.15 -0.17 0.00 -0.01 0.00 0.00 66.41 65.42 1i87 h THR 33 Cb 0.93 1.73 -0.02 0.00 -1.07 0.00 0.00 68.15 69.71 1i87 h THR 33 CO 0.71 0.26 -0.80 0.50 -0.01 0.00 0.00 175.52 176.18 1i87 h LYS 34 N 0.00 0.02 -0.05 0.00 3.64 -1.95 -2.53 116.57 115.69 1i87 h LYS 34 Ca -0.00 -0.02 -0.20 0.00 -1.27 0.00 0.00 60.65 59.15 1i87 h LYS 34 Cb 0.71 0.01 0.01 0.00 -0.41 0.00 0.00 32.23 32.55 1i87 h LYS 34 CO 0.03 0.81 -0.76 0.35 -2.27 0.00 0.00 179.45 177.61 1i87 h PHE 35 N 0.01 0.86 -0.52 1.91 3.57 -1.80 -2.67 116.94 118.31 1i87 h PHE 35 Ca -0.01 -0.43 -0.00 0.00 3.53 0.00 0.00 57.97 61.05 1i87 h PHE 35 Cb 1.41 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 40.01 1i87 h PHE 35 CO 0.00 1.25 0.30 1.25 -2.23 0.00 0.00 178.31 178.89 1i87 h LEU 36 N 0.23 0.62 -3.45 0.59 6.46 -1.26 -0.82 115.31 117.68 1i87 h LEU 36 Ca -0.08 -0.03 -0.26 0.00 -0.12 0.00 0.00 57.88 57.38 1i87 h LEU 36 Cb 1.42 -0.16 -0.16 0.00 -0.73 0.00 0.00 40.66 41.04 1i87 h LEU 36 CO 0.15 0.49 0.33 -0.62 -0.62 0.00 0.00 178.44 178.17 1i87 n GLU 37 N -4.42 2.90 -0.08 1.25 4.71 -0.96 -4.08 120.64 119.96 1i87 n GLU 37 Ca 0.05 -2.54 -0.08 0.00 -0.01 0.00 0.00 57.16 54.58 1i87 n GLU 37 Cb 0.08 -2.04 -0.12 0.00 -1.01 0.00 0.00 31.44 28.35 1i87 n GLU 37 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31 1i87 n GLU 38 N -0.33 1.45 -3.72 3.49 2.13 -0.31 -4.78 120.64 118.57 1i87 n GLU 38 Ca 0.39 -0.01 -0.29 0.00 0.66 0.00 0.00 57.16 57.92 1i87 n GLU 38 Cb 1.31 -1.40 -0.12 0.00 0.27 0.00 0.00 31.44 31.50 1i87 n GLU 38 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 1i87 s HIS 39 N -2.38 2.31 -0.76 4.31 3.76 -1.24 -5.06 115.29 116.24 1i87 s HIS 39 Ca -0.08 -2.69 -0.25 0.00 -0.15 0.00 0.00 55.06 51.89 1i87 s HIS 39 Cb 0.05 -2.00 -0.16 0.00 1.11 0.00 0.00 32.58 31.58 1i87 s HIS 39 CO 0.63 -0.73 2.45 -2.30 -0.85 0.00 0.00 174.74 173.94 1i87 n PRO 40 N 3.02 0.52 0.00 8.40 -0.02 -1.26 -0.96 135.00 144.70 1i87 n PRO 40 Ca 0.15 -0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.42 1i87 n PRO 40 Cb 0.37 -2.69 0.00 0.00 -0.02 0.00 0.00 33.50 31.16 1i87 n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1i87 n GLY 41 N 6.24 1.90 0.28 -1.23 0.00 -1.26 -5.01 105.19 106.11 1i87 n GLY 41 Ca 0.51 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.55 1i87 n GLY 41 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1i87 h GLY 42 N 0.00 0.49 0.00 -0.02 0.00 -1.40 -3.45 103.07 98.69 1i87 h GLY 42 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.07 1i87 h GLY 42 CO 0.00 0.24 0.00 -2.21 0.00 0.00 0.00 176.54 174.57 1i87 n GLU 43 N -4.34 0.00 -1.03 4.80 2.13 -1.26 -4.15 120.64 116.79 1i87 n GLU 43 Ca 0.01 0.00 -0.23 0.00 0.66 0.00 0.00 57.16 57.61 1i87 n GLU 43 Cb 0.19 0.00 0.06 0.00 0.27 0.00 0.00 31.44 31.97 1i87 n GLU 43 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 1i87 n GLU 44 N 0.00 2.10 -1.41 5.31 0.28 -1.26 -4.64 120.64 121.02 1i87 n GLU 44 Ca 0.00 -2.20 -0.29 0.00 -0.16 0.00 0.00 57.16 54.51 1i87 n GLU 44 Cb 0.00 -1.86 0.16 0.00 1.43 0.00 0.00 31.44 31.16 1i87 n GLU 44 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1i87 s VAL 45 N -3.12 1.97 0.58 3.84 1.01 -1.26 -4.82 120.40 118.60 1i87 s VAL 45 Ca 0.43 0.00 0.29 0.00 0.00 0.00 0.00 61.98 62.70 1i87 s VAL 45 Cb 0.34 -2.66 0.39 0.00 0.00 0.00 0.00 36.38 34.45 1i87 s VAL 45 CO 0.01 0.00 1.89 -0.07 0.00 0.00 0.00 175.10 176.93 1i87 h LEU 46 N -1.71 0.00 -2.21 3.92 3.38 -1.96 0.16 115.31 116.90 1i87 h LEU 46 Ca -0.51 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.49 1i87 h LEU 46 Cb 1.33 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.07 1i87 h LEU 46 CO 0.58 0.00 0.10 0.08 0.09 0.00 0.00 178.44 179.29 1i87 h ARG 47 N 0.00 0.00 0.03 1.13 0.11 -1.93 -3.04 114.38 110.69 1i87 h ARG 47 Ca 0.24 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.31 1i87 h ARG 47 Cb 1.23 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.31 1i87 h ARG 47 CO -0.00 0.00 -0.01 1.49 0.10 0.00 0.00 179.97 181.54 1i87 h GLU 48 N 0.00 -0.04 -5.49 0.08 4.22 -0.94 -3.50 114.58 108.91 1i87 h GLU 48 Ca 0.06 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.50 1i87 h GLU 48 Cb 0.26 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.47 1i87 h GLU 48 CO -0.00 -0.03 -1.02 1.04 -2.18 0.00 0.00 179.01 176.82 1i87 n GLN 49 N -3.90 -2.97 -2.57 1.92 1.13 -1.15 -4.81 117.38 105.03 1i87 n GLN 49 Ca -0.01 2.42 -0.41 0.00 -1.94 0.00 0.00 57.00 57.06 1i87 n GLN 49 Cb 0.02 -3.67 -0.03 0.00 0.11 0.00 0.00 30.24 26.67 1i87 n GLN 49 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1i87 s ALA 50 N -0.86 2.77 0.00 -1.58 0.00 -1.26 -4.68 121.76 116.15 1i87 s ALA 50 Ca -0.11 -1.41 0.00 0.00 0.00 0.00 0.00 51.96 50.44 1i87 s ALA 50 Cb 0.01 -4.24 0.00 0.00 0.00 0.00 0.00 23.12 18.88 1i87 s ALA 50 CO 0.51 -3.27 0.00 0.41 0.00 0.00 0.00 175.76 173.41 1i87 n GLY 51 N 5.41 2.67 2.18 0.00 0.00 -1.26 -4.87 105.19 109.32 1i87 n GLY 51 Ca 0.03 -0.74 -0.24 0.00 0.00 0.00 0.00 46.02 45.08 1i87 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i87 n GLY 52 N 0.00 4.48 0.33 -0.02 0.00 -1.26 -4.28 105.19 104.44 1i87 n GLY 52 Ca 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.89 1i87 n GLY 52 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1i87 n ASP 53 N -1.04 2.08 -0.59 1.61 2.03 -1.26 -5.12 116.55 114.26 1i87 n ASP 53 Ca 0.57 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.88 1i87 n ASP 53 Cb 1.54 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.94 1i87 n ASP 53 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1i87 n ALA 54 N -2.36 0.00 -0.04 -1.67 0.00 -1.26 -5.10 120.51 110.08 1i87 n ALA 54 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1i87 n ALA 54 Cb 0.35 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.80 1i87 n ALA 54 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1i87 h THR 55 N 0.54 0.00 -5.44 0.00 1.35 -1.87 -3.45 112.91 104.03 1i87 h THR 55 Ca 0.00 -0.69 0.01 0.00 -0.55 0.00 0.00 66.41 65.18 1i87 h THR 55 Cb 0.00 0.00 -0.07 0.00 -1.73 0.00 0.00 68.15 66.35 1i87 h THR 55 CO 0.00 0.00 -1.05 -0.62 -0.25 0.00 0.00 175.52 173.60 1i87 n GLU 56 N -3.91 -3.28 -2.79 4.72 1.02 -1.26 -4.64 120.64 110.51 1i87 n GLU 56 Ca -0.01 2.59 -0.03 0.00 -0.02 0.00 0.00 57.16 59.69 1i87 n GLU 56 Cb 0.04 -3.65 -0.03 0.00 -0.02 0.00 0.00 31.44 27.79 1i87 n GLU 56 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1i87 n ASN 57 N 1.81 -3.61 -0.08 1.62 4.05 -1.26 -4.90 115.26 112.89 1i87 n ASN 57 Ca -0.23 1.19 -0.11 0.00 0.45 0.00 0.00 54.58 55.88 1i87 n ASN 57 Cb 0.39 -3.98 -0.05 0.00 1.23 0.00 0.00 39.78 37.36 1i87 n ASN 57 CO 0.00 0.00 0.00 0.33 -3.05 0.00 0.00 177.26 174.54 1i87 n PHE 58 N 1.84 0.95 -2.70 1.20 7.35 -1.26 -4.84 117.46 119.99 1i87 n PHE 58 Ca -0.24 0.41 -0.42 0.00 -0.76 0.00 0.00 57.45 56.44 1i87 n PHE 58 Cb 0.40 -0.89 -0.03 0.00 0.35 0.00 0.00 39.48 39.31 1i87 n PHE 58 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 1i87 s GLU 59 N -2.29 4.40 -0.19 -4.13 0.41 -1.26 -4.92 118.70 110.72 1i87 s GLU 59 Ca -0.20 1.36 0.06 0.00 -0.41 0.00 0.00 54.97 55.78 1i87 s GLU 59 Cb 0.04 -3.55 -0.22 0.00 -1.78 0.00 0.00 34.13 28.62 1i87 s GLU 59 CO 0.36 -0.34 0.08 -0.25 -0.49 0.00 0.00 175.26 174.62 1i87 n ASP 60 N 5.13 1.34 -4.07 -0.19 9.92 -1.26 -5.02 116.55 122.40 1i87 n ASP 60 Ca 0.09 0.04 -0.10 0.00 -0.53 0.00 0.00 54.79 54.28 1i87 n ASP 60 Cb 0.48 -0.08 -0.08 0.00 -0.64 0.00 0.00 41.12 40.81 1i87 n ASP 60 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1i87 s VAL 61 N -2.53 0.05 0.39 2.53 0.11 -1.26 -5.17 120.40 114.51 1i87 s VAL 61 Ca -0.22 -1.67 0.07 0.00 -2.93 0.00 0.00 61.98 57.24 1i87 s VAL 61 Cb 0.08 -2.10 -0.01 0.00 -1.53 0.00 0.00 36.38 32.82 1i87 s VAL 61 CO 0.72 -0.23 0.46 -0.83 -3.33 0.00 0.00 175.10 171.89 1i87 s GLY 62 N -3.04 1.88 -0.06 6.54 0.00 -1.26 -5.04 107.32 106.33 1i87 s GLY 62 Ca 0.25 -1.66 0.08 0.00 0.00 0.00 0.00 44.72 43.39 1i87 s GLY 62 CO 0.05 -1.52 0.09 1.42 0.00 0.00 0.00 173.10 173.13 1i87 n HIS 63 N -1.66 0.00 -3.66 1.90 8.25 -1.26 -5.01 115.22 113.78 1i87 n HIS 63 Ca 0.04 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.22 1i87 n HIS 63 Cb 0.59 -0.36 0.01 0.00 1.12 0.00 0.00 29.99 31.35 1i87 n HIS 63 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1i87 n SER 64 N -2.17 -4.24 0.00 0.41 3.41 -1.26 -4.67 113.62 105.10 1i87 n SER 64 Ca -0.10 -0.61 0.00 0.00 -0.26 0.00 0.00 58.87 57.90 1i87 n SER 64 Cb 0.61 -3.45 0.00 0.00 -0.26 0.00 0.00 64.21 61.12 1i87 n SER 64 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1i87 n THR 65 N -4.31 0.00 -2.32 6.66 -2.24 -1.26 -4.98 114.28 105.83 1i87 n THR 65 Ca 0.01 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.60 1i87 n THR 65 Cb 0.53 0.00 0.02 0.00 -2.10 0.00 0.00 70.33 68.78 1i87 n THR 65 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1i87 n ASP 66 N -2.18 4.06 -2.51 3.42 8.00 -1.26 -5.05 116.55 121.02 1i87 n ASP 66 Ca 0.00 -3.38 0.00 0.00 0.71 0.00 0.00 54.79 52.12 1i87 n ASP 66 Cb 0.00 -0.41 0.00 0.00 -0.02 0.00 0.00 41.12 40.69 1i87 n ASP 66 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1i87 n ALA 67 N -0.58 0.00 -1.23 2.24 0.00 -1.26 -4.98 120.51 114.69 1i87 n ALA 67 Ca 0.34 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.93 1i87 n ALA 67 Cb 0.85 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.25 1i87 n ALA 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1i87 n ARG 68 N 0.00 -2.44 -1.78 0.00 5.12 -1.26 -4.72 116.66 111.58 1i87 n ARG 68 Ca 0.00 1.77 -0.13 0.00 -1.93 0.00 0.00 57.85 57.56 1i87 n ARG 68 Cb 0.00 -3.01 -0.04 0.00 -1.16 0.00 0.00 32.46 28.25 1i87 n ARG 68 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1i87 n GLU 69 N -3.73 -1.62 -0.05 5.56 1.02 -1.26 -4.83 120.64 115.73 1i87 n GLU 69 Ca -0.02 0.74 -0.03 0.00 -0.02 0.00 0.00 57.16 57.82 1i87 n GLU 69 Cb 0.64 -5.12 -0.01 0.00 -0.02 0.00 0.00 31.44 26.94 1i87 n GLU 69 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1i87 n LEU 70 N -2.24 1.15 -3.51 -4.62 7.94 -1.26 -4.24 117.00 110.22 1i87 n LEU 70 Ca -0.14 0.48 -0.38 0.00 -1.11 0.00 0.00 56.01 54.86 1i87 n LEU 70 Cb 0.51 -0.73 -0.04 0.00 0.53 0.00 0.00 43.42 43.68 1i87 n LEU 70 CO 0.20 -0.48 2.22 -1.54 -1.11 0.00 0.00 177.39 176.68 1i87 n SER 71 N -3.75 3.25 0.00 1.96 3.41 -1.26 -3.03 113.62 114.20 1i87 n SER 71 Ca -0.05 -2.59 0.00 0.00 -0.26 0.00 0.00 58.87 55.97 1i87 n SER 71 Cb 0.18 -1.14 0.00 0.00 -0.26 0.00 0.00 64.21 62.99 1i87 n SER 71 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1i87 n LYS 72 N 6.20 0.00 -0.02 4.33 3.00 -1.26 -4.94 118.16 125.47 1i87 n LYS 72 Ca 0.48 0.00 0.07 0.00 -0.00 0.00 0.00 58.31 58.86 1i87 n LYS 72 Cb 0.33 0.00 -0.16 0.00 0.00 0.00 0.00 35.03 35.20 1i87 n LYS 72 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.40 175.03 1i87 n THR 73 N -1.19 0.31 -1.38 3.15 5.66 -1.17 -4.38 114.28 115.28 1i87 n THR 73 Ca 0.00 -0.57 -0.25 0.00 -3.05 0.00 0.00 64.05 60.17 1i87 n THR 73 Cb 0.00 -0.12 -0.03 0.00 -1.55 0.00 0.00 70.33 68.63 1i87 n THR 73 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 175.07 170.80 1i87 n TYR 74 N -2.38 1.66 -4.48 1.09 4.01 -1.17 -4.91 117.16 110.97 1i87 n TYR 74 Ca -0.09 -1.98 -0.23 0.00 -0.16 0.00 0.00 57.90 55.43 1i87 n TYR 74 Cb 0.69 -1.30 -0.10 0.00 -0.31 0.00 0.00 39.34 38.31 1i87 n TYR 74 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1i87 s ILE 75 N -2.39 1.85 0.00 -0.72 1.01 -1.26 -2.26 121.20 117.43 1i87 s ILE 75 Ca 0.54 -2.14 0.00 0.00 0.00 0.00 0.00 60.65 59.04 1i87 s ILE 75 Cb 0.36 -2.56 0.00 0.00 0.01 0.00 0.00 42.46 40.27 1i87 s ILE 75 CO -0.18 -0.24 0.00 2.30 0.00 0.00 0.00 174.94 176.82 1i87 n ILE 76 N -0.68 0.00 -2.28 2.92 -5.35 -0.96 -4.68 119.36 108.33 1i87 n ILE 76 Ca -0.05 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.43 1i87 n ILE 76 Cb 0.64 -0.44 0.00 0.00 -1.74 0.00 0.00 39.64 38.10 1i87 n ILE 76 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1i87 n GLY 77 N 2.45 1.19 0.00 3.28 0.00 -1.23 -4.52 105.19 106.35 1i87 n GLY 77 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.60 1i87 n GLY 77 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1i87 n GLU 78 N 0.00 1.90 -4.23 1.61 1.02 -0.70 -0.96 120.64 119.28 1i87 n GLU 78 Ca 0.00 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 56.91 1i87 n GLU 78 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.36 1i87 n GLU 78 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1i87 s LEU 79 N 0.00 3.41 -0.38 -4.62 2.96 -1.08 -2.15 118.68 116.82 1i87 s LEU 79 Ca 0.00 -0.49 -0.25 0.00 -0.22 0.00 0.00 54.13 53.17 1i87 s LEU 79 Cb 0.00 -1.94 0.01 0.00 0.50 0.00 0.00 46.19 44.76 1i87 s LEU 79 CO 0.00 -0.00 0.86 -2.28 -1.32 0.00 0.00 176.35 173.61 1i87 s HIS 80 N -2.21 3.07 0.63 5.38 2.46 0.29 -4.60 115.29 120.31 1i87 s HIS 80 Ca 0.32 0.61 0.29 0.00 0.47 0.00 0.00 55.06 56.74 1i87 s HIS 80 Cb -0.07 -3.59 1.57 0.00 -0.13 0.00 0.00 32.58 30.35 1i87 s HIS 80 CO 0.21 -0.83 1.92 -1.35 -2.47 0.00 0.00 174.74 172.22 1i87 h PRO 81 N 8.58 0.00 0.00 2.88 0.11 -1.97 -2.60 132.00 139.00 1i87 h PRO 81 Ca -0.24 0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.90 1i87 h PRO 81 Cb 1.08 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.15 1i87 h PRO 81 CO 0.96 0.00 -0.27 0.22 -0.21 0.00 0.00 178.00 178.70 1i87 h ASP 82 N 0.00 -0.79 1.20 -2.05 3.58 -1.95 -2.47 116.42 113.94 1i87 h ASP 82 Ca 0.09 0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.65 1i87 h ASP 82 Cb 0.85 0.32 0.00 0.00 1.72 0.00 0.00 39.33 42.22 1i87 h ASP 82 CO -0.00 -0.34 -0.29 0.47 -2.88 0.00 0.00 179.24 176.20 1i87 n ASP 83 N -5.38 0.78 0.00 2.28 8.00 -0.99 -3.81 116.55 117.42 1i87 n ASP 83 Ca -0.05 0.37 0.00 0.00 0.71 0.00 0.00 54.79 55.82 1i87 n ASP 83 Cb 0.29 -0.35 0.00 0.00 -0.02 0.00 0.00 41.12 41.04 1i87 n ASP 83 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1i87 n ARG 84 N -2.21 0.00 0.00 -1.24 5.12 -0.93 -4.72 116.66 112.68 1i87 n ARG 84 Ca 0.04 0.17 0.00 0.00 -1.93 0.00 0.00 57.85 56.14 1i87 n ARG 84 Cb 0.44 -0.89 0.00 0.00 -1.16 0.00 0.00 32.46 30.85 1i87 n ARG 84 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1i87 n SER 85 N -0.56 0.00 -2.67 0.55 2.88 -1.25 -5.04 113.62 107.53 1i87 n SER 85 Ca 0.00 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.49 1i87 n SER 85 Cb 0.00 0.00 0.07 0.00 -0.75 0.00 0.00 64.21 63.53 1i87 n SER 85 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1i87 n LYS 86 N -0.30 0.16 -1.50 -1.46 4.76 -1.26 -5.03 118.16 113.53 1i87 n LYS 86 Ca 0.00 -0.77 -0.27 0.00 -2.87 0.00 0.00 58.31 54.39 1i87 n LYS 86 Cb 0.00 -0.28 -0.05 0.00 -1.84 0.00 0.00 35.03 32.85 1i87 n LYS 86 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 1i87 n ILE 87 N 1.63 3.32 0.00 -0.18 -0.00 -1.25 -4.94 119.36 117.95 1i87 n ILE 87 Ca 0.03 -3.02 0.00 0.00 -0.00 0.00 0.00 62.75 59.76 1i87 n ILE 87 Cb 0.70 -1.58 0.00 0.00 -0.00 0.00 0.00 39.64 38.75 1i87 n ILE 87 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1i87 n ALA 88 N 0.83 0.00 -3.61 -1.39 0.00 -1.26 -5.02 120.51 110.06 1i87 n ALA 88 Ca 0.49 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.83 1i87 n ALA 88 Cb 0.54 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.93 1i87 n ALA 88 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1i87 s LYS 89 N 0.00 0.54 0.73 0.00 1.02 -1.26 -5.17 119.74 115.60 1i87 s LYS 89 Ca 0.00 0.42 -0.10 0.00 0.02 0.00 0.00 55.97 56.31 1i87 s LYS 89 Cb 0.00 0.26 0.16 0.00 -0.52 0.00 0.00 37.83 37.73 1i87 s LYS 89 CO 0.00 -0.11 0.35 -2.30 -0.92 0.00 0.00 175.35 172.37 1i87 n PRO 90 N 1.64 -1.65 0.04 -1.68 -0.02 -1.26 -4.92 135.00 127.16 1i87 n PRO 90 Ca -0.12 -0.60 -0.20 0.00 -2.02 0.00 0.00 63.50 60.57 1i87 n PRO 90 Cb 0.57 -1.03 -0.11 0.00 -0.02 0.00 0.00 33.50 32.90 1i87 n PRO 90 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1i87 h SER 91 N -2.55 0.83 -0.60 2.55 0.02 -2.02 -3.44 113.55 108.34 1i87 h SER 91 Ca -0.16 -0.76 -0.06 0.00 -0.84 0.00 0.00 61.79 59.97 1i87 h SER 91 Cb 0.54 -0.26 -0.16 0.00 0.14 0.00 0.00 62.40 62.67 1i87 h SER 91 CO 0.10 1.49 -0.31 -0.70 -1.14 0.00 0.00 176.83 176.26 1i87 s GLU 92 N -3.23 0.64 0.27 3.45 2.12 -1.26 -5.05 118.70 115.65 1i87 s GLU 92 Ca -0.11 -0.62 0.00 0.00 0.36 0.00 0.00 54.97 54.61 1i87 s GLU 92 Cb 0.06 -0.02 0.00 0.00 0.26 0.00 0.00 34.13 34.42 1i87 s GLU 92 CO 0.90 -0.80 0.00 2.41 -0.54 0.00 0.00 175.26 177.23 1i87 n THR 93 N 2.85 0.00 -1.00 -1.70 -1.04 -1.26 -5.31 114.28 106.82 1i87 n THR 93 Ca 0.14 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.15 1i87 n THR 93 Cb 0.60 -0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.11 1i87 n THR 93 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32