#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 0.80 1.96 -0.67 2.20 -1.26 -5.14 119.74 117.63 1i87 s LYS 2 Ca 0.00 0.97 0.00 0.00 -0.36 0.00 0.00 55.97 56.58 1i87 s LYS 2 Cb 0.00 0.38 0.00 0.00 -1.51 0.00 0.00 37.83 36.70 1i87 s LYS 2 CO 0.00 -0.10 0.00 -3.47 -0.36 0.00 0.00 175.35 171.42 1i87 n ASP 3 N 2.73 -1.85 -4.77 1.43 -0.08 -1.26 -4.57 116.55 108.18 1i87 n ASP 3 Ca -0.14 0.00 -0.39 0.00 -1.51 0.00 0.00 54.79 52.74 1i87 n ASP 3 Cb 0.55 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.95 1i87 n ASP 3 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1i87 s VAL 4 N 0.00 4.36 0.00 5.18 1.01 -1.26 -4.72 120.40 124.96 1i87 s VAL 4 Ca 0.00 1.72 0.00 0.00 0.00 0.00 0.00 61.98 63.70 1i87 s VAL 4 Cb 0.00 -4.15 0.00 0.00 0.00 0.00 0.00 36.38 32.23 1i87 s VAL 4 CO 0.00 0.52 0.00 2.29 0.00 0.00 0.00 175.10 177.91 1i87 n LYS 5 N 1.61 3.44 -3.88 2.72 2.85 -1.26 -4.81 118.16 118.83 1i87 n LYS 5 Ca -0.05 0.00 -0.29 0.00 -1.05 0.00 0.00 58.31 56.91 1i87 n LYS 5 Cb 0.49 0.00 -0.13 0.00 -0.65 0.00 0.00 35.03 34.73 1i87 n LYS 5 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 1i87 s TYR 6 N 0.82 3.02 0.00 5.58 2.02 -1.26 -0.72 117.35 126.81 1i87 s TYR 6 Ca 0.00 -3.07 0.00 0.00 -0.37 0.00 0.00 57.07 53.63 1i87 s TYR 6 Cb 0.00 -2.57 0.00 0.00 -0.40 0.00 0.00 41.96 38.99 1i87 s TYR 6 CO 0.00 -0.70 0.00 0.66 -1.57 0.00 0.00 175.55 173.94 1i87 n TYR 7 N 2.85 -2.10 -4.45 2.71 4.01 0.27 -4.47 117.16 115.99 1i87 n TYR 7 Ca 0.11 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.61 1i87 n TYR 7 Cb 0.34 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.27 1i87 n TYR 7 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1i87 s THR 8 N -0.95 2.59 -0.05 -0.72 -4.23 -1.26 -1.53 115.64 109.50 1i87 s THR 8 Ca 0.00 -2.33 0.12 0.00 -1.18 0.00 0.00 61.69 58.30 1i87 s THR 8 Cb 0.00 -2.36 -0.06 0.00 1.34 0.00 0.00 72.50 71.42 1i87 s THR 8 CO 0.00 -0.38 1.33 0.25 -0.54 0.00 0.00 174.62 175.28 1i87 h LEU 9 N 2.28 0.00 -0.68 4.79 5.85 -1.97 -2.78 115.31 122.80 1i87 h LEU 9 Ca -0.41 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.20 1i87 h LEU 9 Cb 1.26 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.27 1i87 h LEU 9 CO 0.59 0.71 -0.55 -0.33 -0.34 0.00 0.00 178.44 178.53 1i87 h GLU 10 N 0.00 0.00 0.20 1.25 5.08 -1.96 -2.41 114.58 116.74 1i87 h GLU 10 Ca -0.02 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.04 1i87 h GLU 10 Cb 1.56 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.84 1i87 h GLU 10 CO 0.09 0.55 -1.37 1.49 -1.00 0.00 0.00 179.01 178.78 1i87 h GLU 11 N 0.00 0.43 0.00 2.33 4.57 -1.90 -3.27 114.58 116.74 1i87 h GLU 11 Ca -0.01 -0.74 -0.03 0.00 -1.18 0.00 0.00 59.36 57.40 1i87 h GLU 11 Cb 1.11 0.27 -0.00 0.00 -0.16 0.00 0.00 28.75 29.97 1i87 h GLU 11 CO 0.07 1.35 -0.16 0.82 -1.18 0.00 0.00 179.01 179.92 1i87 h ILE 12 N -0.03 0.74 -0.40 2.32 2.04 -1.51 -1.85 117.51 118.81 1i87 h ILE 12 Ca -0.25 -0.63 -0.10 0.00 1.00 0.00 0.00 64.86 64.88 1i87 h ILE 12 Cb 1.99 1.38 -0.06 0.00 -0.74 0.00 0.00 36.82 39.40 1i87 h ILE 12 CO 0.21 0.15 0.13 0.00 0.00 0.00 0.00 178.15 178.64 1i87 n GLN 13 N -3.81 2.67 -2.72 2.37 3.00 -0.91 -4.46 117.38 113.52 1i87 n GLN 13 Ca -0.02 -1.73 -0.06 0.00 -0.01 0.00 0.00 57.00 55.19 1i87 n GLN 13 Cb 0.26 -1.84 0.05 0.00 0.00 0.00 0.00 30.24 28.71 1i87 n GLN 13 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 1i87 n LYS 14 N 0.09 0.46 -4.65 -1.09 4.81 -0.70 -5.04 118.16 112.04 1i87 n LYS 14 Ca 0.22 -1.38 -0.34 0.00 -0.87 0.00 0.00 58.31 55.94 1i87 n LYS 14 Cb 0.91 -0.91 -0.11 0.00 0.02 0.00 0.00 35.03 34.94 1i87 n LYS 14 CO 0.00 0.00 0.00 -1.01 1.17 0.00 0.00 177.40 177.56 1i87 s HIS 15 N 0.62 2.90 -0.45 5.64 3.76 -1.25 -4.90 115.29 121.63 1i87 s HIS 15 Ca 0.29 -0.00 0.06 0.00 -0.15 0.00 0.00 55.06 55.26 1i87 s HIS 15 Cb 0.16 -1.69 0.21 0.00 1.11 0.00 0.00 32.58 32.37 1i87 s HIS 15 CO -0.14 0.32 0.58 1.63 -0.85 0.00 0.00 174.74 176.27 1i87 n LYS 16 N 2.19 0.51 0.00 1.40 4.76 -1.26 -5.07 118.16 120.69 1i87 n LYS 16 Ca -0.18 -2.65 0.00 0.00 -2.87 0.00 0.00 58.31 52.61 1i87 n LYS 16 Cb 0.53 -1.47 0.00 0.00 -1.84 0.00 0.00 35.03 32.25 1i87 n LYS 16 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1i87 n ASP 17 N 2.27 0.00 -3.34 4.39 5.75 -1.26 -4.95 116.55 119.42 1i87 n ASP 17 Ca 0.21 0.00 -0.30 0.00 -0.01 0.00 0.00 54.79 54.69 1i87 n ASP 17 Cb 0.54 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.60 1i87 n ASP 17 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1i87 n SER 18 N 0.00 4.15 -1.68 -1.12 3.41 -1.26 -4.43 113.62 112.69 1i87 n SER 18 Ca 0.00 -2.45 -0.13 0.00 -0.26 0.00 0.00 58.87 56.03 1i87 n SER 18 Cb 0.00 -1.12 -0.04 0.00 -0.26 0.00 0.00 64.21 62.79 1i87 n SER 18 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1i87 n LYS 19 N 5.16 -1.54 -0.58 4.33 4.81 -1.26 -4.93 118.16 124.14 1i87 n LYS 19 Ca 0.47 0.73 -0.30 0.00 -0.87 0.00 0.00 58.31 58.33 1i87 n LYS 19 Cb 0.23 -5.08 0.28 0.00 0.02 0.00 0.00 35.03 30.48 1i87 n LYS 19 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1i87 s SER 20 N -2.08 -0.53 -0.05 3.14 0.15 -1.26 -4.98 113.70 108.08 1i87 s SER 20 Ca 0.00 0.78 -0.02 0.00 0.70 0.00 0.00 55.95 57.40 1i87 s SER 20 Cb 0.00 -1.09 0.03 0.00 -1.71 0.00 0.00 66.02 63.26 1i87 s SER 20 CO 0.00 -5.03 0.08 0.28 1.20 0.00 0.00 173.24 169.78 1i87 s THR 21 N -2.50 -0.15 -1.05 6.45 -1.32 -1.26 -4.94 115.64 110.88 1i87 s THR 21 Ca 0.69 0.40 -0.14 0.00 -1.21 0.00 0.00 61.69 61.43 1i87 s THR 21 Cb -0.12 -0.19 0.19 0.00 -1.51 0.00 0.00 72.50 70.87 1i87 s THR 21 CO 0.57 0.16 1.17 0.26 -2.21 0.00 0.00 174.62 174.57 1i87 s TRP 22 N 2.20 3.61 0.77 9.09 0.52 -1.25 -2.41 118.94 131.48 1i87 s TRP 22 Ca 0.05 -2.03 -0.12 0.00 0.02 0.00 0.00 56.10 54.02 1i87 s TRP 22 Cb -0.12 -4.12 0.06 0.00 -1.15 0.00 0.00 33.47 28.14 1i87 s TRP 22 CO -0.04 -1.25 1.14 0.08 0.02 0.00 0.00 176.95 176.90 1i87 s VAL 23 N 1.02 2.63 -0.02 4.03 1.01 0.11 -4.75 120.40 124.44 1i87 s VAL 23 Ca 0.33 0.21 0.03 0.00 0.00 0.00 0.00 61.98 62.54 1i87 s VAL 23 Cb -0.06 -3.18 -0.00 0.00 0.00 0.00 0.00 36.38 33.14 1i87 s VAL 23 CO -0.06 -0.27 -0.09 -0.63 0.00 0.00 0.00 175.10 174.05 1i87 s ILE 24 N -3.46 0.74 0.00 2.22 1.09 -1.26 0.10 121.20 120.63 1i87 s ILE 24 Ca 0.61 -0.36 0.00 0.00 -1.10 0.00 0.00 60.65 59.80 1i87 s ILE 24 Cb -0.11 -0.65 0.00 0.00 -1.06 0.00 0.00 42.46 40.64 1i87 s ILE 24 CO 0.51 0.23 0.00 -0.11 -0.10 0.00 0.00 174.94 175.46 1i87 n LEU 25 N 3.15 0.00 0.19 2.97 -0.00 -0.36 -4.54 117.00 118.41 1i87 n LEU 25 Ca -0.17 0.00 0.18 0.00 -0.00 0.00 0.00 56.01 56.03 1i87 n LEU 25 Cb 0.55 0.00 0.77 0.00 -0.00 0.00 0.00 43.42 44.75 1i87 n LEU 25 CO 0.25 0.00 1.16 1.12 -0.00 0.00 0.00 177.39 179.91 1i87 h HIS 26 N 0.00 0.00 0.00 1.96 2.07 -2.03 -3.40 115.15 113.75 1i87 h HIS 26 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1i87 h HIS 26 Cb 0.00 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.98 1i87 h HIS 26 CO 0.00 0.00 0.00 1.58 -3.07 0.00 0.00 177.93 176.44 1i87 n HIS 27 N -3.39 0.00 -2.07 6.12 -0.00 -1.26 -5.11 115.22 109.51 1i87 n HIS 27 Ca 0.03 0.00 -0.39 0.00 -0.00 0.00 0.00 57.72 57.37 1i87 n HIS 27 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.50 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 -0.95 3.80 -0.03 1.57 1.02 -1.26 -2.67 119.74 121.21 1i87 s LYS 28 Ca 0.00 2.06 -0.13 0.00 0.02 0.00 0.00 55.97 57.93 1i87 s LYS 28 Cb 0.00 -2.60 -0.05 0.00 -0.52 0.00 0.00 37.83 34.66 1i87 s LYS 28 CO 0.00 -0.60 0.34 0.08 -0.92 0.00 0.00 175.35 174.25 1i87 s VAL 29 N -1.34 5.15 -0.18 3.17 1.01 0.30 -1.23 120.40 127.28 1i87 s VAL 29 Ca 0.61 0.67 -0.03 0.00 0.00 0.00 0.00 61.98 63.24 1i87 s VAL 29 Cb -0.36 -3.63 -0.01 0.00 0.00 0.00 0.00 36.38 32.38 1i87 s VAL 29 CO 0.45 0.59 -0.07 -0.31 0.00 0.00 0.00 175.10 175.75 1i87 s TYR 30 N -1.07 2.92 -1.03 5.22 1.51 0.29 -2.23 117.35 122.95 1i87 s TYR 30 Ca 0.22 -0.77 -0.06 0.00 -1.01 0.00 0.00 57.07 55.45 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 0.11 -0.37 1.03 -3.47 -1.11 0.00 0.00 175.55 171.74 1i87 n ASP 31 N 4.20 5.13 -2.65 2.29 2.03 -0.95 0.06 116.55 126.65 1i87 n ASP 31 Ca -0.18 -3.12 -0.26 0.00 0.52 0.00 0.00 54.79 51.75 1i87 n ASP 31 Cb 0.52 -1.24 -0.08 0.00 -0.72 0.00 0.00 41.12 39.59 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 2.38 6.75 0.22 -2.67 4.32 -1.01 -4.52 117.00 122.47 1i87 n LEU 32 Ca 0.24 -3.97 0.09 0.00 -0.02 0.00 0.00 56.01 52.35 1i87 n LEU 32 Cb 0.38 -1.38 0.50 0.00 -1.62 0.00 0.00 43.42 41.30 1i87 n LEU 32 CO 0.46 1.84 0.81 0.00 -1.22 0.00 0.00 177.39 179.28 1i87 h THR 33 N 2.28 0.66 0.00 -5.08 1.03 -1.92 -0.05 112.91 109.84 1i87 h THR 33 Ca 0.47 -1.07 -0.13 0.00 -0.01 0.00 0.00 66.41 65.67 1i87 h THR 33 Cb 0.84 1.69 -0.02 0.00 -1.07 0.00 0.00 68.15 69.59 1i87 h THR 33 CO 0.93 0.23 -0.68 0.11 -0.01 0.00 0.00 175.52 176.10 1i87 h LYS 34 N 0.00 0.00 0.03 0.00 1.79 -2.00 -3.28 116.57 113.12 1i87 h LYS 34 Ca -0.00 0.00 -0.30 0.00 -2.18 0.00 0.00 60.65 58.17 1i87 h LYS 34 Cb 0.67 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.28 1i87 h LYS 34 CO 0.03 0.55 -1.68 0.35 -1.08 0.00 0.00 179.45 177.63 1i87 h PHE 35 N 0.00 0.12 0.00 -1.35 3.57 -1.83 -2.74 116.94 114.71 1i87 h PHE 35 Ca -0.02 -0.09 -0.00 0.00 3.53 0.00 0.00 57.97 61.38 1i87 h PHE 35 Cb 1.47 -0.00 -0.00 0.00 2.79 0.00 0.00 35.95 40.20 1i87 h PHE 35 CO 0.00 1.17 -0.02 1.25 -2.23 0.00 0.00 178.31 178.48 1i87 h LEU 36 N 0.02 0.00 0.00 0.59 6.46 -1.10 0.44 115.31 121.72 1i87 h LEU 36 Ca -0.28 0.00 -0.11 0.00 -0.12 0.00 0.00 57.88 57.37 1i87 h LEU 36 Cb 2.00 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 41.91 1i87 h LEU 36 CO 0.09 0.02 -2.10 -1.84 -0.62 0.00 0.00 178.44 174.00 1i87 n GLU 37 N -3.97 0.68 0.09 1.25 0.28 -1.24 -4.24 120.64 113.50 1i87 n GLU 37 Ca -0.03 -0.14 -0.03 0.00 -0.16 0.00 0.00 57.16 56.80 1i87 n GLU 37 Cb 0.10 -1.51 -0.05 0.00 1.43 0.00 0.00 31.44 31.41 1i87 n GLU 37 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 1i87 h GLU 38 N 0.00 0.00 -2.88 3.44 5.08 -1.08 -3.38 114.58 115.76 1i87 h GLU 38 Ca -0.16 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.59 1i87 h GLU 38 Cb 1.36 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 30.20 1i87 h GLU 38 CO 0.01 0.79 -0.72 -1.01 -1.00 0.00 0.00 179.01 177.08 1i87 s HIS 39 N -2.84 2.58 -0.83 4.33 3.76 0.09 -5.05 115.29 117.33 1i87 s HIS 39 Ca 0.02 -2.89 -0.21 0.00 -0.15 0.00 0.00 55.06 51.82 1i87 s HIS 39 Cb 0.09 -2.07 -0.19 0.00 1.11 0.00 0.00 32.58 31.52 1i87 s HIS 39 CO 0.79 -0.67 2.36 -2.30 -0.85 0.00 0.00 174.74 174.06 1i87 n PRO 40 N 2.54 0.42 -0.05 8.40 -0.02 -1.26 -4.59 135.00 140.44 1i87 n PRO 40 Ca 0.20 -0.46 -0.06 0.00 -2.02 0.00 0.00 63.50 61.16 1i87 n PRO 40 Cb 0.38 -2.77 -0.06 0.00 -0.02 0.00 0.00 33.50 31.04 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 6.33 -0.31 0.00 -1.23 0.00 -1.26 -5.06 105.19 103.66 1i87 n GLY 41 Ca 0.53 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.44 1i87 n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i87 n GLY 42 N 2.69 0.56 5.21 -0.02 0.00 -1.26 -4.94 105.19 107.42 1i87 n GLY 42 Ca -0.16 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.51 1i87 n GLY 42 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1i87 n GLU 43 N 0.00 0.00 -1.40 1.61 1.02 -1.26 -4.26 120.64 116.34 1i87 n GLU 43 Ca 0.00 0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 56.76 1i87 n GLU 43 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.36 1i87 n GLU 43 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 1i87 n GLU 44 N 0.00 1.40 0.24 3.49 0.28 -1.26 -4.61 120.64 120.18 1i87 n GLU 44 Ca 0.00 -1.98 0.14 0.00 -0.16 0.00 0.00 57.16 55.15 1i87 n GLU 44 Cb 0.00 -3.17 0.40 0.00 1.43 0.00 0.00 31.44 30.10 1i87 n GLU 44 CO 0.00 0.00 0.00 -0.39 -0.16 0.00 0.00 177.13 176.58 1i87 h VAL 45 N 5.10 0.07 -0.79 3.84 -1.51 -1.93 -3.14 116.25 117.90 1i87 h VAL 45 Ca 0.34 -0.86 -0.48 0.00 -1.23 0.00 0.00 66.70 64.46 1i87 h VAL 45 Cb 0.76 1.80 -0.23 0.00 -2.13 0.00 0.00 31.29 31.49 1i87 h VAL 45 CO 1.71 0.04 0.62 0.18 -1.23 0.00 0.00 177.57 178.89 1i87 n LEU 46 N -3.12 6.71 -3.73 4.19 4.32 -1.26 -4.88 117.00 119.22 1i87 n LEU 46 Ca 0.02 -3.60 -0.24 0.00 -0.02 0.00 0.00 56.01 52.17 1i87 n LEU 46 Cb 0.44 -0.91 0.02 0.00 -1.62 0.00 0.00 43.42 41.35 1i87 n LEU 46 CO 0.31 1.20 -0.11 0.54 -1.22 0.00 0.00 177.39 178.11 1i87 n ARG 47 N -0.56 -3.51 0.00 3.23 1.74 -1.19 -4.67 116.66 111.70 1i87 n ARG 47 Ca 0.49 0.54 0.00 0.00 -0.77 0.00 0.00 57.85 58.11 1i87 n ARG 47 Cb 0.95 -4.81 0.00 0.00 -1.02 0.00 0.00 32.46 27.58 1i87 n ARG 47 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1i87 n GLU 48 N -4.22 0.00 -4.16 5.56 2.13 -1.26 -4.91 120.64 113.78 1i87 n GLU 48 Ca -0.24 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 57.45 1i87 n GLU 48 Cb 0.66 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 32.28 1i87 n GLU 48 CO 0.00 0.00 0.00 1.14 -0.41 0.00 0.00 177.13 177.86 1i87 s GLN 49 N 0.00 1.38 0.31 5.31 -2.07 -1.26 -4.85 119.66 118.48 1i87 s GLN 49 Ca 0.00 -1.59 0.00 0.00 -1.82 0.00 0.00 55.36 51.95 1i87 s GLN 49 Cb 0.00 0.33 0.00 0.00 -1.09 0.00 0.00 33.01 32.25 1i87 s GLN 49 CO 0.00 -0.50 0.00 0.00 -1.32 0.00 0.00 175.29 173.47 1i87 n ALA 50 N -0.35 -2.98 -0.85 2.60 0.00 -1.26 -4.91 120.51 112.75 1i87 n ALA 50 Ca 0.02 0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.75 1i87 n ALA 50 Cb 0.64 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 19.12 1i87 n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i87 n GLY 51 N -2.85 0.09 7.00 0.00 0.00 -1.26 -4.96 105.19 103.21 1i87 n GLY 51 Ca 0.01 -0.95 0.00 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 -0.48 2.90 -0.02 0.00 -1.26 -4.84 105.19 101.49 1i87 n GLY 52 Ca 0.00 -1.01 -0.17 0.00 0.00 0.00 0.00 46.02 44.84 1i87 n GLY 52 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1i87 s ASP 53 N -4.00 0.62 0.39 1.61 1.11 -1.26 -5.10 116.67 110.04 1i87 s ASP 53 Ca 0.00 -0.08 0.00 0.00 0.18 0.00 0.00 52.55 52.65 1i87 s ASP 53 Cb 0.00 -0.22 0.00 0.00 1.07 0.00 0.00 42.92 43.77 1i87 s ASP 53 CO 0.00 -0.02 0.00 0.00 1.18 0.00 0.00 175.17 176.33 1i87 n ALA 54 N 3.61 -1.83 -2.82 5.23 0.00 -1.26 -4.72 120.51 118.71 1i87 n ALA 54 Ca -0.21 0.17 -0.11 0.00 0.00 0.00 0.00 53.44 53.29 1i87 n ALA 54 Cb 0.54 -0.59 0.03 0.00 0.00 0.00 0.00 19.45 19.42 1i87 n ALA 54 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1i87 n THR 55 N -2.24 0.46 -4.15 0.00 5.66 -1.26 -5.11 114.28 107.64 1i87 n THR 55 Ca 0.00 -3.19 -0.29 0.00 -3.05 0.00 0.00 64.05 57.52 1i87 n THR 55 Cb 0.25 0.50 -0.08 0.00 -1.55 0.00 0.00 70.33 69.45 1i87 n THR 55 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 175.07 170.19 1i87 s GLU 56 N -2.26 2.47 -1.15 1.09 -1.05 -1.26 -4.71 118.70 111.83 1i87 s GLU 56 Ca 0.30 -0.91 -0.13 0.00 -0.15 0.00 0.00 54.97 54.08 1i87 s GLU 56 Cb 0.41 -2.48 -0.02 0.00 -0.44 0.00 0.00 34.13 31.60 1i87 s GLU 56 CO -0.02 0.52 0.80 -1.71 0.95 0.00 0.00 175.26 175.80 1i87 n ASN 57 N 0.46 -4.82 -0.99 0.83 4.05 -1.26 -5.01 115.26 108.53 1i87 n ASN 57 Ca -0.11 -0.91 0.00 0.00 0.45 0.00 0.00 54.58 54.01 1i87 n ASN 57 Cb 0.52 -3.91 0.00 0.00 1.23 0.00 0.00 39.78 37.62 1i87 n ASN 57 CO 0.00 0.00 0.00 2.22 -3.05 0.00 0.00 177.26 176.43 1i87 n PHE 58 N -3.98 0.00 0.00 1.20 -1.74 -1.26 -4.94 117.46 106.74 1i87 n PHE 58 Ca -0.13 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.76 1i87 n PHE 58 Cb 0.61 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.61 1i87 n PHE 58 CO 0.00 0.00 0.00 0.39 -0.56 0.00 0.00 176.76 176.59 1i87 n GLU 59 N 0.00 0.00 -4.62 3.97 -0.58 -1.26 -4.47 120.64 113.67 1i87 n GLU 59 Ca 0.00 0.00 -0.34 0.00 -0.42 0.00 0.00 57.16 56.40 1i87 n GLU 59 Cb 0.00 0.00 -0.12 0.00 -0.57 0.00 0.00 31.44 30.75 1i87 n GLU 59 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1i87 s ASP 60 N -4.00 4.57 0.00 1.62 -1.08 -1.26 -4.97 116.67 111.55 1i87 s ASP 60 Ca 0.00 -0.08 0.02 0.00 -0.52 0.00 0.00 52.55 51.97 1i87 s ASP 60 Cb 0.00 -1.29 0.04 0.00 -1.46 0.00 0.00 42.92 40.21 1i87 s ASP 60 CO 0.00 0.31 0.94 0.55 0.52 0.00 0.00 175.17 177.49 1i87 n VAL 61 N 2.57 0.00 -2.66 1.11 3.14 -1.26 -4.98 118.33 116.25 1i87 n VAL 61 Ca -0.18 -0.09 -0.03 0.00 -2.96 0.00 0.00 64.34 61.08 1i87 n VAL 61 Cb 0.53 0.47 0.09 0.00 -1.06 0.00 0.00 33.84 33.86 1i87 n VAL 61 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1i87 n GLY 62 N 0.04 -1.42 0.98 7.55 0.00 -1.26 -5.01 105.19 106.07 1i87 n GLY 62 Ca -0.20 0.70 0.05 0.00 0.00 0.00 0.00 46.02 46.56 1i87 n GLY 62 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1i87 n HIS 63 N 0.26 0.08 -2.19 1.61 -0.00 -1.26 -4.96 115.22 108.76 1i87 n HIS 63 Ca -0.11 -1.18 -0.13 0.00 -0.00 0.00 0.00 57.72 56.29 1i87 n HIS 63 Cb 0.73 -0.22 -0.02 0.00 -0.00 0.00 0.00 29.99 30.49 1i87 n HIS 63 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 1i87 n SER 64 N -0.54 -4.02 -3.49 0.26 7.64 -1.26 -4.87 113.62 107.33 1i87 n SER 64 Ca 0.15 0.21 -0.03 0.00 1.01 0.00 0.00 58.87 60.20 1i87 n SER 64 Cb 0.86 -3.48 0.01 0.00 -1.01 0.00 0.00 64.21 60.59 1i87 n SER 64 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1i87 s THR 65 N -2.55 0.00 -0.33 0.44 -1.32 -1.26 -5.09 115.64 105.53 1i87 s THR 65 Ca 0.00 -0.60 0.06 0.00 -1.21 0.00 0.00 61.69 59.95 1i87 s THR 65 Cb 0.00 -2.56 0.25 0.00 -1.51 0.00 0.00 72.50 68.68 1i87 s THR 65 CO 0.00 0.00 1.21 -0.90 -2.21 0.00 0.00 174.62 172.72 1i87 n ASP 66 N -0.95 -1.44 -4.68 8.08 5.75 -1.26 -4.85 116.55 117.20 1i87 n ASP 66 Ca -0.04 -2.04 -0.40 0.00 -0.01 0.00 0.00 54.79 52.30 1i87 n ASP 66 Cb 0.60 0.90 -0.05 0.00 -1.03 0.00 0.00 41.12 41.53 1i87 n ASP 66 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1i87 s ALA 67 N 0.12 3.49 0.00 2.12 0.00 -1.26 -4.94 121.76 121.29 1i87 s ALA 67 Ca 0.12 -0.10 0.00 0.00 0.00 0.00 0.00 51.96 51.98 1i87 s ALA 67 Cb 0.26 -3.02 0.00 0.00 0.00 0.00 0.00 23.12 20.36 1i87 s ALA 67 CO -0.06 -0.46 0.00 0.54 0.00 0.00 0.00 175.76 175.78 1i87 n ARG 68 N 4.77 0.00 -4.16 0.00 1.74 -1.26 -4.89 116.66 112.86 1i87 n ARG 68 Ca -0.00 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 56.96 1i87 n ARG 68 Cb 0.50 0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 31.83 1i87 n ARG 68 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1i87 s GLU 69 N 0.00 0.79 0.19 5.56 2.02 -1.26 -5.04 118.70 120.96 1i87 s GLU 69 Ca 0.00 -1.21 0.15 0.00 0.02 0.00 0.00 54.97 53.93 1i87 s GLU 69 Cb 0.00 -0.30 -0.03 0.00 0.10 0.00 0.00 34.13 33.90 1i87 s GLU 69 CO 0.00 0.02 1.20 1.25 0.02 0.00 0.00 175.26 177.75 1i87 h LEU 70 N 3.33 0.00 -6.04 1.80 5.85 -1.99 -3.39 115.31 114.87 1i87 h LEU 70 Ca -0.36 0.00 -0.56 0.00 0.84 0.00 0.00 57.88 57.80 1i87 h LEU 70 Cb 1.18 0.00 0.03 0.00 0.37 0.00 0.00 40.66 42.24 1i87 h LEU 70 CO 0.58 0.56 2.50 -1.54 -0.34 0.00 0.00 178.44 180.20 1i87 n SER 71 N -3.11 3.58 0.00 1.25 3.41 -1.26 -3.40 113.62 114.10 1i87 n SER 71 Ca -0.02 -2.56 0.00 0.00 -0.26 0.00 0.00 58.87 56.03 1i87 n SER 71 Cb 0.79 -1.15 0.00 0.00 -0.26 0.00 0.00 64.21 63.58 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 5.88 0.00 -0.93 4.33 3.00 -1.26 -4.91 118.16 124.27 1i87 n LYS 72 Ca 0.48 0.00 -0.10 0.00 -0.00 0.00 0.00 58.31 58.69 1i87 n LYS 72 Cb 0.30 -0.00 0.22 0.00 0.00 0.00 0.00 35.03 35.55 1i87 n LYS 72 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1i87 n THR 73 N -2.43 2.65 -2.33 3.15 -2.24 -1.22 -4.14 114.28 107.72 1i87 n THR 73 Ca 0.00 -1.44 0.00 0.00 -2.27 0.00 0.00 64.05 60.34 1i87 n THR 73 Cb 0.00 -0.47 0.07 0.00 -2.10 0.00 0.00 70.33 67.83 1i87 n THR 73 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1i87 n TYR 74 N -0.36 0.64 -4.27 4.78 4.02 -1.26 -5.08 117.16 115.63 1i87 n TYR 74 Ca 0.40 -1.32 -0.24 0.00 -0.01 0.00 0.00 57.90 56.74 1i87 n TYR 74 Cb 1.32 -0.21 -0.07 0.00 -0.02 0.00 0.00 39.34 40.36 1i87 n TYR 74 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1i87 s ILE 75 N -2.16 3.52 0.00 -0.72 1.01 -1.26 -2.24 121.20 119.34 1i87 s ILE 75 Ca 0.35 -1.81 0.00 0.00 0.00 0.00 0.00 60.65 59.20 1i87 s ILE 75 Cb 0.37 -2.86 0.00 0.00 0.01 0.00 0.00 42.46 39.98 1i87 s ILE 75 CO -0.09 -0.32 0.00 2.30 0.00 0.00 0.00 174.94 176.83 1i87 n ILE 76 N -0.75 0.00 -0.71 2.92 -5.35 -0.95 -4.76 119.36 109.77 1i87 n ILE 76 Ca -0.07 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.41 1i87 n ILE 76 Cb 0.58 -0.85 0.00 0.00 -1.74 0.00 0.00 39.64 37.63 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 3.07 -0.73 3.67 3.28 0.00 -1.24 -4.46 105.19 108.77 1i87 n GLY 77 Ca 0.00 -0.39 -0.30 0.00 0.00 0.00 0.00 46.02 45.33 1i87 n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1i87 s GLU 78 N -0.22 2.11 0.12 1.61 2.02 0.11 0.11 118.70 124.56 1i87 s GLU 78 Ca 0.00 -2.33 -0.00 0.00 0.02 0.00 0.00 54.97 52.65 1i87 s GLU 78 Cb 0.00 -1.13 -0.04 0.00 0.10 0.00 0.00 34.13 33.05 1i87 s GLU 78 CO 0.00 -0.43 0.29 -1.17 0.02 0.00 0.00 175.26 173.97 1i87 s LEU 79 N -3.78 4.31 0.11 1.80 0.20 -1.09 0.97 118.68 121.20 1i87 s LEU 79 Ca 0.12 0.33 -0.31 0.00 0.69 0.00 0.00 54.13 54.96 1i87 s LEU 79 Cb 0.01 -3.06 -0.10 0.00 -0.43 0.00 0.00 46.19 42.62 1i87 s LEU 79 CO 0.07 0.08 1.87 -2.28 -0.29 0.00 0.00 176.35 175.80 1i87 s HIS 80 N -1.66 1.94 0.62 5.38 5.65 -0.58 -4.67 115.29 121.96 1i87 s HIS 80 Ca 0.37 -0.14 0.29 0.00 0.25 0.00 0.00 55.06 55.83 1i87 s HIS 80 Cb -0.12 -4.20 1.55 0.00 -1.18 0.00 0.00 32.58 28.62 1i87 s HIS 80 CO 0.28 -5.07 1.92 -1.35 -0.65 0.00 0.00 174.74 169.87 1i87 h PRO 81 N 9.06 0.00 -0.98 2.88 0.11 -1.90 -0.23 132.00 140.94 1i87 h PRO 81 Ca -0.47 0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.69 1i87 h PRO 81 Cb 1.22 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.27 1i87 h PRO 81 CO 0.95 0.00 0.64 -0.44 -0.21 0.00 0.00 178.00 178.94 1i87 h ASP 82 N 0.00 1.05 0.33 -2.05 5.19 -1.88 0.82 116.42 119.87 1i87 h ASP 82 Ca 0.12 -0.01 -0.20 0.00 -0.62 0.00 0.00 57.03 56.33 1i87 h ASP 82 Cb 0.92 -0.23 -0.04 0.00 0.18 0.00 0.00 39.33 40.16 1i87 h ASP 82 CO -0.00 0.70 -1.85 0.47 -3.12 0.00 0.00 179.24 175.44 1i87 n ASP 83 N -4.46 0.41 -0.02 6.45 8.00 -0.21 -4.62 116.55 122.10 1i87 n ASP 83 Ca 0.14 0.18 -0.01 0.00 0.71 0.00 0.00 54.79 55.81 1i87 n ASP 83 Cb 0.12 0.81 -0.00 0.00 -0.02 0.00 0.00 41.12 42.03 1i87 n ASP 83 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 1i87 h ARG 84 N 0.00 0.00 0.00 -1.24 9.65 -0.92 -3.47 114.38 118.40 1i87 h ARG 84 Ca -0.25 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.63 1i87 h ARG 84 Cb 1.68 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 30.26 1i87 h ARG 84 CO 0.03 0.00 0.00 0.45 2.80 0.00 0.00 179.97 183.25 1i87 n SER 85 N -2.91 0.00 -4.06 -3.80 2.88 0.28 -4.60 113.62 101.42 1i87 n SER 85 Ca -0.01 -0.97 -0.30 0.00 -1.33 0.00 0.00 58.87 56.26 1i87 n SER 85 Cb 0.05 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.45 1i87 n SER 85 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1i87 n LYS 86 N -0.97 -0.80 0.08 -1.46 2.85 -1.25 -4.33 118.16 112.28 1i87 n LYS 86 Ca 0.00 0.05 -0.05 0.00 -1.05 0.00 0.00 58.31 57.26 1i87 n LYS 86 Cb 0.00 -2.81 -0.08 0.00 -0.65 0.00 0.00 35.03 31.49 1i87 n LYS 86 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 177.40 178.17 1i87 h ILE 87 N -1.51 1.56 -3.51 0.58 1.08 -1.82 -3.45 117.51 110.43 1i87 h ILE 87 Ca -0.58 -3.17 -0.49 0.00 -0.39 0.00 0.00 64.86 60.23 1i87 h ILE 87 Cb 1.21 2.75 0.03 0.00 -3.07 0.00 0.00 36.82 37.74 1i87 h ILE 87 CO 0.57 0.88 0.09 0.00 -0.69 0.00 0.00 178.15 179.00 1i87 s ALA 88 N -2.79 3.42 -0.50 1.87 0.00 -1.26 -5.06 121.76 117.44 1i87 s ALA 88 Ca 0.01 -0.53 0.03 0.00 0.00 0.00 0.00 51.96 51.47 1i87 s ALA 88 Cb 0.10 -2.55 0.14 0.00 0.00 0.00 0.00 23.12 20.81 1i87 s ALA 88 CO 0.80 -0.32 0.29 0.15 0.00 0.00 0.00 175.76 176.69 1i87 s LYS 89 N -4.69 1.64 0.66 0.00 3.01 -1.26 -5.11 119.74 113.99 1i87 s LYS 89 Ca 0.47 -2.40 -0.09 0.00 -1.01 0.00 0.00 55.97 52.94 1i87 s LYS 89 Cb -0.10 -2.73 0.15 0.00 -1.01 0.00 0.00 37.83 34.14 1i87 s LYS 89 CO 0.44 -1.18 0.33 -2.30 0.51 0.00 0.00 175.35 173.15 1i87 n PRO 90 N 3.13 -1.76 -0.00 -1.68 -0.02 -1.26 -5.02 135.00 128.39 1i87 n PRO 90 Ca 0.11 -0.56 0.00 0.00 -2.02 0.00 0.00 63.50 61.03 1i87 n PRO 90 Cb 0.35 -0.92 0.00 0.00 -0.02 0.00 0.00 33.50 32.91 1i87 n PRO 90 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1i87 n SER 91 N -2.48 0.00 -0.06 2.55 3.41 -1.26 -5.06 113.62 110.71 1i87 n SER 91 Ca 0.05 -0.01 -0.06 0.00 -0.26 0.00 0.00 58.87 58.59 1i87 n SER 91 Cb 0.23 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.16 1i87 n SER 91 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1i87 n GLU 92 N -0.01 0.39 0.00 4.33 2.13 -1.26 -5.06 120.64 121.16 1i87 n GLU 92 Ca 0.00 0.25 0.00 0.00 0.66 0.00 0.00 57.16 58.07 1i87 n GLU 92 Cb 0.00 -1.29 0.00 0.00 0.27 0.00 0.00 31.44 30.42 1i87 n GLU 92 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1i87 n THR 93 N -4.02 0.00 0.93 6.31 -2.24 -1.26 -5.33 114.28 108.66 1i87 n THR 93 Ca -0.09 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.80 1i87 n THR 93 Cb 0.34 0.00 0.09 0.00 -2.10 0.00 0.00 70.33 68.66 1i87 n THR 93 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39