#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tbu n ILE 14 N 0.00 0.00 -1.46 3.15 5.41 -1.26 -4.82 119.36 120.38 1tbu n ILE 14 Ca 0.00 0.00 -0.29 0.00 1.00 0.00 0.00 62.75 63.46 1tbu n ILE 14 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 1tbu n ILE 14 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1tbu n LEU 15 N 0.00 6.91 -4.58 1.39 4.32 -1.26 -4.80 117.00 118.98 1tbu n LEU 15 Ca 0.00 -4.15 -0.35 0.00 -0.02 0.00 0.00 56.01 51.49 1tbu n LEU 15 Cb 0.00 -1.12 -0.11 0.00 -1.62 0.00 0.00 43.42 40.57 1tbu n LEU 15 CO 0.00 1.61 -0.27 -0.70 -1.22 0.00 0.00 177.39 176.81 1tbu s GLU 16 N -2.62 3.88 0.01 3.23 2.12 -1.26 -4.96 118.70 119.10 1tbu s GLU 16 Ca 0.53 -0.39 0.02 0.00 0.36 0.00 0.00 54.97 55.49 1tbu s GLU 16 Cb 0.39 -3.20 -0.04 0.00 0.26 0.00 0.00 34.13 31.54 1tbu s GLU 16 CO -0.20 0.18 -0.01 -0.51 -0.54 0.00 0.00 175.26 174.17 1tbu s LEU 17 N 0.62 3.44 -0.27 2.70 1.43 -1.26 -2.61 118.68 122.72 1tbu s LEU 17 Ca 0.03 -0.05 -0.10 0.00 -1.03 0.00 0.00 54.13 52.97 1tbu s LEU 17 Cb -0.13 -1.99 -0.05 0.00 0.03 0.00 0.00 46.19 44.05 1tbu s LEU 17 CO 0.02 0.27 0.17 -0.69 0.23 0.00 0.00 176.35 176.34 1tbu s VAL 18 N -1.09 5.13 0.33 -1.59 1.01 0.27 -4.92 120.40 119.53 1tbu s VAL 18 Ca 0.20 0.11 -0.29 0.00 0.00 0.00 0.00 61.98 61.99 1tbu s VAL 18 Cb -0.11 -3.44 -0.11 0.00 0.00 0.00 0.00 36.38 32.72 1tbu s VAL 18 CO 0.11 0.27 1.44 -2.84 0.00 0.00 0.00 175.10 174.07 1tbu s PRO 19 N 1.73 4.21 -0.00 2.72 0.02 -1.26 -1.15 135.00 141.27 1tbu s PRO 19 Ca 0.07 2.42 0.05 0.00 0.02 0.00 0.00 61.00 63.56 1tbu s PRO 19 Cb -0.16 -3.03 -0.07 0.00 0.02 0.00 0.00 34.50 31.26 1tbu s PRO 19 CO 0.10 -0.42 0.16 1.28 -0.33 0.00 0.00 177.00 177.79 1tbu n LEU 20 N 1.16 0.11 0.00 -5.54 4.77 0.54 -4.89 117.00 113.15 1tbu n LEU 20 Ca 0.03 -0.23 -0.01 0.00 -0.03 0.00 0.00 56.01 55.76 1tbu n LEU 20 Cb 0.40 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.50 1tbu n LEU 20 CO 0.62 0.03 0.54 -1.54 -1.33 0.00 0.00 177.39 175.71 1tbu n SER 21 N -1.42 -1.01 0.29 -1.43 3.41 -1.17 -4.94 113.62 107.35 1tbu n SER 21 Ca -0.00 -1.48 0.19 0.00 -0.26 0.00 0.00 58.87 57.32 1tbu n SER 21 Cb 0.11 1.63 1.02 0.00 -0.26 0.00 0.00 64.21 66.70 1tbu n SER 21 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 1tbu h PRO 22 N 0.00 0.00 0.00 4.33 0.11 -2.02 -3.29 132.00 131.14 1tbu h PRO 22 Ca -0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.95 1tbu h PRO 22 Cb 0.74 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.85 1tbu h PRO 22 CO 0.22 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.26 1tbu n THR 23 N -2.85 0.16 -4.23 -1.15 -2.24 -1.26 -4.85 114.28 97.86 1tbu n THR 23 Ca -0.02 -0.19 -0.17 0.00 -2.27 0.00 0.00 64.05 61.40 1tbu n THR 23 Cb 0.08 1.11 -0.13 0.00 -2.10 0.00 0.00 70.33 69.28 1tbu n THR 23 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1tbu s SER 24 N -0.16 1.01 -0.14 3.42 1.04 -1.24 -0.43 113.70 117.20 1tbu s SER 24 Ca 0.00 -0.31 -0.10 0.00 0.48 0.00 0.00 55.95 56.02 1tbu s SER 24 Cb 0.00 -0.06 0.04 0.00 0.10 0.00 0.00 66.02 66.10 1tbu s SER 24 CO 0.00 0.00 0.35 -0.36 0.98 0.00 0.00 173.24 174.21 1tbu s PHE 25 N -0.63 -0.44 0.14 5.02 0.40 -0.60 -0.34 117.98 121.53 1tbu s PHE 25 Ca -0.01 1.01 0.07 0.00 -0.60 0.00 0.00 56.93 57.40 1tbu s PHE 25 Cb -0.06 0.16 -0.04 0.00 0.51 0.00 0.00 43.02 43.59 1tbu s PHE 25 CO 0.00 -0.24 -0.02 0.14 0.70 0.00 0.00 175.22 175.80 1tbu s VAL 26 N 0.76 3.73 0.30 -0.44 -7.23 -0.30 0.10 120.40 117.32 1tbu s VAL 26 Ca -0.05 -1.28 -0.29 0.00 -1.81 0.00 0.00 61.98 58.55 1tbu s VAL 26 Cb -0.06 -2.82 -0.10 0.00 0.56 0.00 0.00 36.38 33.96 1tbu s VAL 26 CO -0.05 -0.01 1.17 0.42 -0.31 0.00 0.00 175.10 176.32 1tbu s THR 27 N -1.52 3.21 -0.15 5.32 -4.23 -0.64 -0.57 115.64 117.06 1tbu s THR 27 Ca 0.26 1.22 -0.27 0.00 -1.18 0.00 0.00 61.69 61.72 1tbu s THR 27 Cb -0.10 -3.77 -0.24 0.00 1.34 0.00 0.00 72.50 69.73 1tbu s THR 27 CO 0.18 0.29 0.65 0.50 -0.54 0.00 0.00 174.62 175.70 1tbu h LYS 28 N 3.68 0.00 -6.23 3.99 3.64 -1.86 -3.45 116.57 116.35 1tbu h LYS 28 Ca -0.47 0.00 -0.48 0.00 -1.27 0.00 0.00 60.65 58.42 1tbu h LYS 28 Cb 1.22 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.01 1tbu h LYS 28 CO 0.66 0.95 -0.42 0.71 -2.27 0.00 0.00 179.45 179.08 1tbu s TYR 29 N -2.21 2.97 0.05 1.91 1.51 -1.26 -5.09 117.35 115.23 1tbu s TYR 29 Ca -0.20 -0.27 -0.30 0.00 -1.01 0.00 0.00 57.07 55.29 1tbu s TYR 29 Cb -0.02 -1.83 -0.08 0.00 -0.11 0.00 0.00 41.96 39.93 1tbu s TYR 29 CO 0.64 0.15 1.73 -0.51 -1.11 0.00 0.00 175.55 176.45 1tbu s LEU 30 N -4.03 4.37 0.00 -1.29 2.01 -1.26 -4.92 118.68 113.55 1tbu s LEU 30 Ca 0.41 2.51 0.00 0.00 0.01 0.00 0.00 54.13 57.06 1tbu s LEU 30 Cb -0.07 -3.55 0.00 0.00 0.01 0.00 0.00 46.19 42.58 1tbu s LEU 30 CO 0.28 -0.94 0.00 -0.81 1.01 0.00 0.00 176.35 175.89 1tbu n PRO 31 N 6.19 0.00 -4.04 1.29 -0.04 -1.18 -5.01 135.00 132.21 1tbu n PRO 31 Ca 0.17 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.50 1tbu n PRO 31 Cb 0.41 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.73 1tbu n PRO 31 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1tbu s THR 40 N 0.00 0.29 0.27 0.52 2.01 -0.88 -4.83 115.64 113.02 1tbu s THR 40 Ca 0.00 -0.40 -0.29 0.00 0.31 0.00 0.00 61.69 61.30 1tbu s THR 40 Cb 0.00 -0.29 -0.09 0.00 0.01 0.00 0.00 72.50 72.12 1tbu s THR 40 CO 0.00 -0.08 1.17 0.12 -0.69 0.00 0.00 174.62 175.13 1tbu s PHE 41 N -0.48 3.43 0.28 4.92 5.36 -1.26 -4.63 117.98 125.60 1tbu s PHE 41 Ca -0.03 1.58 0.03 0.00 -0.96 0.00 0.00 56.93 57.55 1tbu s PHE 41 Cb -0.04 -3.40 0.66 0.00 -0.34 0.00 0.00 43.02 39.89 1tbu s PHE 41 CO -0.00 -0.97 1.75 0.78 -1.46 0.00 0.00 175.22 175.32 1tbu h GLY 42 N 3.97 1.56 1.42 13.12 0.00 -2.02 -1.98 103.07 119.14 1tbu h GLY 42 Ca -0.47 -0.27 -0.04 0.00 0.00 0.00 0.00 47.33 46.55 1tbu h GLY 42 CO 0.68 -0.11 0.14 -1.33 0.00 0.00 0.00 176.54 175.92 1tbu h GLY 43 N 0.61 0.79 0.84 4.60 0.00 -1.99 -0.19 103.07 107.72 1tbu h GLY 43 Ca 0.53 -0.43 -0.06 0.00 0.00 0.00 0.00 47.33 47.37 1tbu h GLY 43 CO -0.41 0.40 -0.10 -0.84 0.00 0.00 0.00 176.54 175.59 1tbu h THR 44 N 0.71 1.30 -0.49 4.70 2.02 -1.78 -2.02 112.91 117.36 1tbu h THR 44 Ca 0.16 -1.16 0.08 0.00 0.77 0.00 0.00 66.41 66.26 1tbu h THR 44 Cb 0.24 1.57 -0.07 0.00 -1.74 0.00 0.00 68.15 68.15 1tbu h THR 44 CO -0.01 0.36 0.10 -0.07 0.37 0.00 0.00 175.52 176.27 1tbu h LEU 45 N 0.20 -0.00 -0.21 2.58 4.07 -0.75 -0.38 115.31 120.82 1tbu h LEU 45 Ca 0.05 0.09 -0.06 0.00 0.08 0.00 0.00 57.88 58.04 1tbu h LEU 45 Cb 0.59 0.12 -0.01 0.00 1.08 0.00 0.00 40.66 42.45 1tbu h LEU 45 CO 0.03 0.03 -0.10 0.58 -1.08 0.00 0.00 178.44 177.90 1tbu h VAL 46 N 0.23 1.30 -0.32 1.22 2.07 -1.04 -1.72 116.25 118.00 1tbu h VAL 46 Ca 0.24 -1.16 -0.10 0.00 0.82 0.00 0.00 66.70 66.50 1tbu h VAL 46 Cb 0.33 1.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.71 1tbu h VAL 46 CO -0.32 0.35 -0.20 0.28 0.02 0.00 0.00 177.57 177.70 1tbu h SER 47 N 0.15 0.74 -0.83 0.57 0.02 -1.21 -1.16 113.55 111.82 1tbu h SER 47 Ca 0.05 -0.43 -0.03 0.00 -0.84 0.00 0.00 61.79 60.54 1tbu h SER 47 Cb 0.59 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 62.89 1tbu h SER 47 CO 0.03 1.01 0.40 1.56 -1.14 0.00 0.00 176.83 178.68 1tbu h GLN 48 N 0.47 1.21 -0.13 3.45 4.20 -1.10 -1.36 115.11 121.85 1tbu h GLN 48 Ca 0.07 -0.18 -0.12 0.00 0.06 0.00 0.00 58.65 58.48 1tbu h GLN 48 Cb 0.75 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 28.30 1tbu h GLN 48 CO 0.06 0.93 -0.45 0.66 -0.67 0.00 0.00 178.83 179.35 1tbu h SER 49 N 1.19 0.33 -0.26 1.46 4.64 -1.04 -0.94 113.55 118.92 1tbu h SER 49 Ca 0.29 -0.15 -0.08 0.00 -0.47 0.00 0.00 61.79 61.38 1tbu h SER 49 Cb 0.13 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.12 1tbu h SER 49 CO -0.04 0.74 -0.13 0.25 -0.87 0.00 0.00 176.83 176.78 1tbu h LEU 50 N 0.25 0.57 -0.65 5.97 6.46 -0.99 -1.93 115.31 124.99 1tbu h LEU 50 Ca 0.02 -0.41 -0.02 0.00 -0.12 0.00 0.00 57.88 57.35 1tbu h LEU 50 Cb 0.90 -0.16 -0.03 0.00 -0.73 0.00 0.00 40.66 40.64 1tbu h LEU 50 CO 0.07 0.86 0.33 -0.07 -0.62 0.00 0.00 178.44 179.01 1tbu h LEU 51 N 0.29 0.83 -0.46 2.25 3.38 -0.96 -0.76 115.31 119.88 1tbu h LEU 51 Ca 0.06 -0.11 0.07 0.00 0.09 0.00 0.00 57.88 57.98 1tbu h LEU 51 Cb 0.64 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 41.12 1tbu h LEU 51 CO 0.04 0.71 0.12 0.00 0.09 0.00 0.00 178.44 179.40 1tbu h ALA 52 N 1.16 0.52 -0.22 1.53 0.00 -1.17 -2.36 119.26 118.72 1tbu h ALA 52 Ca 0.22 0.08 -0.09 0.00 0.00 0.00 0.00 54.91 55.12 1tbu h ALA 52 Cb 0.08 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1tbu h ALA 52 CO -0.03 -0.28 -0.24 0.66 0.00 0.00 0.00 179.25 179.36 1tbu h SER 53 N 0.27 0.40 -0.08 0.00 4.64 -0.90 -3.01 113.55 114.88 1tbu h SER 53 Ca 0.22 -0.13 -0.08 0.00 -0.47 0.00 0.00 61.79 61.33 1tbu h SER 53 Cb 0.26 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.22 1tbu h SER 53 CO -0.26 0.65 -0.20 -0.07 -0.87 0.00 0.00 176.83 176.08 1tbu h LEU 54 N 0.36 0.47 -1.08 5.97 -0.00 -0.62 -1.48 115.31 118.94 1tbu h LEU 54 Ca 0.06 -0.14 0.00 0.00 -0.00 0.00 0.00 57.88 57.79 1tbu h LEU 54 Cb 0.63 -0.13 0.00 0.00 -0.00 0.00 0.00 40.66 41.16 1tbu h LEU 54 CO 0.05 0.68 0.03 1.41 -0.00 0.00 0.00 178.44 180.61 1tbu n HIS 55 N -4.16 0.55 -0.02 1.13 8.25 -1.09 -3.46 115.22 116.42 1tbu n HIS 55 Ca -0.00 0.29 0.02 0.00 -0.26 0.00 0.00 57.72 57.77 1tbu n HIS 55 Cb 0.37 -0.94 0.04 0.00 1.12 0.00 0.00 29.99 30.58 1tbu n HIS 55 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1tbu n THR 56 N -2.07 0.80 -4.86 1.59 -2.24 -0.56 -4.99 114.28 101.95 1tbu n THR 56 Ca -0.01 -0.90 -0.27 0.00 -2.27 0.00 0.00 64.05 60.60 1tbu n THR 56 Cb 0.05 0.61 -0.15 0.00 -2.10 0.00 0.00 70.33 68.75 1tbu n THR 56 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1tbu s VAL 57 N -0.86 1.76 0.64 2.28 1.01 -1.22 -5.10 120.40 118.91 1tbu s VAL 57 Ca 0.07 -1.12 -0.18 0.00 0.00 0.00 0.00 61.98 60.75 1tbu s VAL 57 Cb 0.04 -1.50 -0.01 0.00 0.00 0.00 0.00 36.38 34.91 1tbu s VAL 57 CO 0.05 0.34 1.28 -2.84 0.00 0.00 0.00 175.10 173.94 1tbu s PRO 58 N -0.92 2.58 0.55 2.72 0.02 -1.26 -4.88 135.00 133.80 1tbu s PRO 58 Ca 0.08 2.03 0.26 0.00 0.02 0.00 0.00 61.00 63.39 1tbu s PRO 58 Cb -0.09 -1.85 1.44 0.00 0.02 0.00 0.00 34.50 34.02 1tbu s PRO 58 CO 0.01 -1.57 2.01 -0.07 -0.33 0.00 0.00 177.00 177.05 1tbu h LEU 59 N 0.55 0.00 -0.99 -5.54 3.38 -1.99 -1.60 115.31 109.13 1tbu h LEU 59 Ca -0.51 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.46 1tbu h LEU 59 Cb 1.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.08 1tbu h LEU 59 CO 0.53 0.00 0.00 -0.46 0.09 0.00 0.00 178.44 178.60 1tbu n ASN 60 N -4.21 1.43 -4.74 -0.43 2.04 -1.26 -4.85 115.26 103.24 1tbu n ASN 60 Ca 0.08 -2.00 -0.35 0.00 -0.44 0.00 0.00 54.58 51.87 1tbu n ASN 60 Cb 0.55 -0.18 -0.08 0.00 -2.53 0.00 0.00 39.78 37.54 1tbu n ASN 60 CO 0.00 0.00 0.00 -0.36 -0.44 0.00 0.00 177.26 176.46 1tbu s PHE 61 N -1.64 3.27 0.01 -2.53 0.40 -0.60 -4.52 117.98 112.36 1tbu s PHE 61 Ca 0.18 0.26 0.05 0.00 -0.60 0.00 0.00 56.93 56.82 1tbu s PHE 61 Cb 0.09 -1.81 -0.01 0.00 0.51 0.00 0.00 43.02 41.80 1tbu s PHE 61 CO 0.12 0.54 -0.14 -0.06 0.70 0.00 0.00 175.22 176.38 1tbu s PHE 62 N -0.97 1.24 0.16 0.36 0.40 0.33 -4.89 117.98 114.61 1tbu s PHE 62 Ca 0.15 -0.28 -0.31 0.00 -0.60 0.00 0.00 56.93 55.89 1tbu s PHE 62 Cb -0.12 -0.77 -0.10 0.00 0.51 0.00 0.00 43.02 42.54 1tbu s PHE 62 CO 0.05 0.00 1.65 -1.25 0.70 0.00 0.00 175.22 176.37 1tbu s PRO 63 N -0.64 4.18 -0.17 0.24 0.04 -1.26 -0.11 135.00 137.28 1tbu s PRO 63 Ca 0.04 2.45 0.13 0.00 0.04 0.00 0.00 61.00 63.66 1tbu s PRO 63 Cb -0.06 -3.25 -0.23 0.00 0.04 0.00 0.00 34.50 30.99 1tbu s PRO 63 CO 0.00 -0.69 0.19 0.25 0.04 0.00 0.00 177.00 176.79 1tbu n THR 64 N 4.17 1.48 -3.65 1.26 -2.24 0.10 -4.86 114.28 110.54 1tbu n THR 64 Ca 0.15 -0.79 -0.10 0.00 -2.27 0.00 0.00 64.05 61.04 1tbu n THR 64 Cb 0.38 -0.81 -0.03 0.00 -2.10 0.00 0.00 70.33 67.77 1tbu n THR 64 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1tbu s SER 65 N -5.87 -0.34 -0.04 3.42 1.04 -1.20 -5.04 113.70 105.67 1tbu s SER 65 Ca -0.13 -0.34 -0.08 0.00 0.48 0.00 0.00 55.95 55.88 1tbu s SER 65 Cb 0.07 0.58 0.01 0.00 0.10 0.00 0.00 66.02 66.78 1tbu s SER 65 CO 0.79 -1.03 0.19 -0.22 0.98 0.00 0.00 173.24 173.96 1tbu s LEU 66 N -2.83 1.31 -0.13 2.42 0.20 -1.26 -1.54 118.68 116.85 1tbu s LEU 66 Ca 0.06 0.13 -0.04 0.00 0.69 0.00 0.00 54.13 54.97 1tbu s LEU 66 Cb -0.01 0.76 0.06 0.00 -0.43 0.00 0.00 46.19 46.56 1tbu s LEU 66 CO -0.06 -0.23 0.12 -1.00 -0.29 0.00 0.00 176.35 174.89 1tbu s HIS 67 N -0.65 -0.01 0.01 5.38 3.76 -0.06 -4.99 115.29 118.72 1tbu s HIS 67 Ca -0.07 0.14 0.07 0.00 -0.15 0.00 0.00 55.06 55.04 1tbu s HIS 67 Cb -0.04 -0.48 -0.02 0.00 1.11 0.00 0.00 32.58 33.15 1tbu s HIS 67 CO 0.01 -0.40 -0.21 -1.12 -0.85 0.00 0.00 174.74 172.17 1tbu s SER 68 N 2.22 2.54 -0.10 1.40 0.01 -1.26 -0.16 113.70 118.35 1tbu s SER 68 Ca 0.04 -0.45 0.01 0.00 1.31 0.00 0.00 55.95 56.86 1tbu s SER 68 Cb -0.14 -0.25 0.02 0.00 0.21 0.00 0.00 66.02 65.85 1tbu s SER 68 CO -0.07 0.23 -0.11 -0.31 0.41 0.00 0.00 173.24 173.38 1tbu s TYR 69 N -0.63 1.66 -0.57 2.43 1.51 0.72 -4.99 117.35 117.48 1tbu s TYR 69 Ca 0.08 -0.78 -0.18 0.00 -1.01 0.00 0.00 57.07 55.18 1tbu s TYR 69 Cb -0.09 -1.27 0.10 0.00 -0.11 0.00 0.00 41.96 40.59 1tbu s TYR 69 CO 0.00 -0.46 0.65 -0.06 -1.11 0.00 0.00 175.55 174.57 1tbu s PHE 70 N 1.24 3.05 -0.12 2.71 0.40 -1.26 -1.97 117.98 122.03 1tbu s PHE 70 Ca -0.03 -0.94 -0.03 0.00 -0.60 0.00 0.00 56.93 55.33 1tbu s PHE 70 Cb -0.14 -3.87 -0.25 0.00 0.51 0.00 0.00 43.02 39.27 1tbu s PHE 70 CO -0.04 -1.19 0.36 -0.89 0.70 0.00 0.00 175.22 174.16 1tbu n ILE 71 N 5.50 1.73 -3.64 0.64 5.41 -0.22 -4.98 119.36 123.80 1tbu n ILE 71 Ca -0.10 -0.67 -0.15 0.00 1.00 0.00 0.00 62.75 62.82 1tbu n ILE 71 Cb 0.43 -1.59 -0.08 0.00 -0.71 0.00 0.00 39.64 37.69 1tbu n ILE 71 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 1tbu s LYS 72 N -2.56 0.83 0.32 0.38 2.20 -0.40 -4.96 119.74 115.55 1tbu s LYS 72 Ca -0.21 0.21 -0.29 0.00 -0.36 0.00 0.00 55.97 55.33 1tbu s LYS 72 Cb 0.07 0.39 -0.11 0.00 -1.51 0.00 0.00 37.83 36.67 1tbu s LYS 72 CO 0.77 -0.22 1.44 0.20 -0.36 0.00 0.00 175.35 177.18 1tbu s GLY 73 N -0.91 2.68 0.47 5.54 0.00 -1.26 -4.68 107.32 109.16 1tbu s GLY 73 Ca -0.09 1.43 -0.04 0.00 0.00 0.00 0.00 44.72 46.01 1tbu s GLY 73 CO 0.06 2.22 0.76 -0.32 0.00 0.00 0.00 173.10 175.81 1tbu s GLY 74 N -0.02 1.49 -0.06 0.20 0.00 -1.26 -4.91 107.32 102.76 1tbu s GLY 74 Ca 0.55 -0.61 0.04 0.00 0.00 0.00 0.00 44.72 44.70 1tbu s GLY 74 CO 0.53 -0.45 -0.18 0.51 0.00 0.00 0.00 173.10 173.51 1tbu s ASP 75 N -4.12 3.69 0.00 1.64 -4.77 -1.26 -2.07 116.67 109.77 1tbu s ASP 75 Ca 0.47 -0.32 0.28 0.00 -3.30 0.00 0.00 52.55 49.68 1tbu s ASP 75 Cb -0.10 -0.89 1.04 0.00 -1.09 0.00 0.00 42.92 41.88 1tbu s ASP 75 CO 0.43 0.29 1.75 -0.81 0.70 0.00 0.00 175.17 177.53 1tbu n PRO 76 N 2.65 0.74 -0.05 2.11 -0.05 -1.26 -2.59 135.00 136.55 1tbu n PRO 76 Ca -0.17 -0.33 0.09 0.00 -0.05 0.00 0.00 63.50 63.03 1tbu n PRO 76 Cb 0.52 -1.49 0.39 0.00 -0.05 0.00 0.00 33.50 32.87 1tbu n PRO 76 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 175.50 175.99 1tbu n ARG 77 N -0.84 1.39 -4.26 0.54 1.74 -1.26 -3.11 116.66 110.86 1tbu n ARG 77 Ca 0.13 -0.59 -0.20 0.00 -0.77 0.00 0.00 57.85 56.42 1tbu n ARG 77 Cb 0.31 -1.31 -0.12 0.00 -1.02 0.00 0.00 32.46 30.32 1tbu n ARG 77 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1tbu s THR 78 N -1.87 1.49 0.52 0.55 2.01 -1.07 -5.03 115.64 112.24 1tbu s THR 78 Ca 0.27 -1.62 -0.18 0.00 0.31 0.00 0.00 61.69 60.47 1tbu s THR 78 Cb 0.14 -1.50 -0.07 0.00 0.01 0.00 0.00 72.50 71.07 1tbu s THR 78 CO 0.21 -0.25 1.02 -1.59 -0.69 0.00 0.00 174.62 173.32 1tbu s LYS 79 N -2.28 3.73 -0.11 4.92 -2.85 -1.26 -4.30 119.74 117.59 1tbu s LYS 79 Ca 0.07 1.19 -0.01 0.00 -1.00 0.00 0.00 55.97 56.23 1tbu s LYS 79 Cb -0.08 -2.09 -0.02 0.00 -2.06 0.00 0.00 37.83 33.58 1tbu s LYS 79 CO 0.04 -0.47 -0.08 0.42 0.10 0.00 0.00 175.35 175.35 1tbu s ILE 80 N -2.30 3.52 -0.18 3.79 1.01 -1.26 -4.64 121.20 121.13 1tbu s ILE 80 Ca 0.64 -0.52 -0.04 0.00 0.00 0.00 0.00 60.65 60.73 1tbu s ILE 80 Cb -0.14 -2.48 -0.02 0.00 0.01 0.00 0.00 42.46 39.83 1tbu s ILE 80 CO 0.27 0.55 -0.02 -0.89 0.00 0.00 0.00 174.94 174.85 1tbu s THR 81 N -0.13 3.90 -0.10 2.92 2.01 -0.45 -1.62 115.64 122.16 1tbu s THR 81 Ca 0.01 -0.34 -0.01 0.00 0.31 0.00 0.00 61.69 61.65 1tbu s THR 81 Cb -0.13 -2.74 -0.03 0.00 0.01 0.00 0.00 72.50 69.60 1tbu s THR 81 CO 0.03 0.45 -0.04 -0.31 -0.69 0.00 0.00 174.62 174.06 1tbu s TYR 82 N 0.78 3.02 -0.11 4.92 1.51 0.12 -0.68 117.35 126.91 1tbu s TYR 82 Ca -0.00 -0.06 0.02 0.00 -1.01 0.00 0.00 57.07 56.02 1tbu s TYR 82 Cb -0.14 -1.82 0.01 0.00 -0.11 0.00 0.00 41.96 39.90 1tbu s TYR 82 CO 0.02 0.23 -0.17 -1.01 -1.11 0.00 0.00 175.55 173.51 1tbu s HIS 83 N -0.39 2.06 -0.20 2.71 3.76 0.14 -1.56 115.29 121.81 1tbu s HIS 83 Ca 0.06 -0.95 -0.14 0.00 -0.15 0.00 0.00 55.06 53.88 1tbu s HIS 83 Cb -0.12 -1.46 -0.04 0.00 1.11 0.00 0.00 32.58 32.06 1tbu s HIS 83 CO 0.02 -0.47 0.30 0.08 -0.85 0.00 0.00 174.74 173.82 1tbu s VAL 84 N 0.88 5.28 -0.10 -0.90 1.01 0.42 -0.91 120.40 126.08 1tbu s VAL 84 Ca -0.09 0.51 0.02 0.00 0.00 0.00 0.00 61.98 62.43 1tbu s VAL 84 Cb -0.15 -3.63 0.01 0.00 0.00 0.00 0.00 36.38 32.61 1tbu s VAL 84 CO -0.00 0.32 -0.16 0.00 0.00 0.00 0.00 175.10 175.27 1tbu s GLN 85 N 0.95 2.22 0.18 2.72 -2.07 0.51 -4.82 119.66 119.35 1tbu s GLN 85 Ca 0.15 -0.57 -0.30 0.00 -1.82 0.00 0.00 55.36 52.82 1tbu s GLN 85 Cb -0.14 -1.85 -0.07 0.00 -1.09 0.00 0.00 33.01 29.86 1tbu s GLN 85 CO 0.05 -0.02 1.00 1.21 -1.32 0.00 0.00 175.29 176.22 1tbu s ASN 86 N 0.86 7.46 -0.15 12.60 2.47 -1.26 -0.54 114.94 136.37 1tbu s ASN 86 Ca -0.09 1.95 -0.04 0.00 0.42 0.00 0.00 52.86 55.09 1tbu s ASN 86 Cb -0.15 -2.60 -0.08 0.00 -1.45 0.00 0.00 41.25 36.97 1tbu s ASN 86 CO 0.01 -0.05 -0.17 0.18 -3.72 0.00 0.00 177.10 173.34 1tbu n LEU 87 N 2.18 1.85 -3.62 3.21 4.77 -0.18 -4.87 117.00 120.35 1tbu n LEU 87 Ca 0.01 0.08 -0.11 0.00 -0.03 0.00 0.00 56.01 55.96 1tbu n LEU 87 Cb 0.47 -0.48 -0.07 0.00 -2.33 0.00 0.00 43.42 41.01 1tbu n LEU 87 CO 0.52 0.49 0.63 -0.60 -1.33 0.00 0.00 177.39 177.10 1tbu s ARG 88 N -2.29 0.66 0.14 3.23 3.52 -1.00 -4.97 118.95 118.24 1tbu s ARG 88 Ca -0.21 0.62 0.10 0.00 -0.13 0.00 0.00 55.73 56.10 1tbu s ARG 88 Cb 0.07 0.32 -0.04 0.00 -1.56 0.00 0.00 34.95 33.74 1tbu s ARG 88 CO 0.30 -0.11 -0.23 -0.80 -0.81 0.00 0.00 175.30 173.65 1tbu s ASN 89 N -0.03 3.01 0.15 -2.12 -0.87 -1.26 0.21 114.94 114.02 1tbu s ASN 89 Ca 0.00 -0.78 -0.04 0.00 -1.57 0.00 0.00 52.86 50.48 1tbu s ASN 89 Cb -0.04 -0.19 0.02 0.00 -0.02 0.00 0.00 41.25 41.01 1tbu s ASN 89 CO -0.02 0.10 0.28 0.61 -2.57 0.00 0.00 177.10 175.49 1tbu n GLY 90 N 0.72 1.96 0.14 0.66 0.00 -0.08 -4.97 105.19 103.62 1tbu n GLY 90 Ca -0.16 -1.23 0.01 0.00 0.00 0.00 0.00 46.02 44.64 1tbu n GLY 90 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1tbu h ARG 91 N 0.00 0.00 0.00 1.61 1.12 -2.03 -3.36 114.38 111.72 1tbu h ARG 91 Ca -0.13 0.00 -0.04 0.00 -1.11 0.00 0.00 59.98 58.70 1tbu h ARG 91 Cb 0.49 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.44 1tbu h ARG 91 CO 0.16 0.57 -1.86 0.09 -3.11 0.00 0.00 179.97 175.82 1tbu n ASN 92 N -3.34 0.93 -3.92 -3.80 3.02 -1.26 -4.78 115.26 102.11 1tbu n ASN 92 Ca 0.01 0.00 -0.11 0.00 -0.03 0.00 0.00 54.58 54.45 1tbu n ASN 92 Cb 0.71 1.68 -0.13 0.00 -0.61 0.00 0.00 39.78 41.44 1tbu n ASN 92 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1tbu s PHE 93 N -3.11 0.13 -0.05 3.10 2.99 -1.26 -2.05 117.98 117.73 1tbu s PHE 93 Ca -0.07 -0.23 0.01 0.00 0.00 0.00 0.00 56.93 56.65 1tbu s PHE 93 Cb 0.10 -0.09 0.02 0.00 0.00 0.00 0.00 43.02 43.05 1tbu s PHE 93 CO 0.73 -0.08 -0.05 0.42 -0.00 0.00 0.00 175.22 176.24 1tbu s ILE 94 N -0.62 0.64 -0.19 0.64 1.01 -1.00 -0.90 121.20 120.77 1tbu s ILE 94 Ca -0.07 -0.16 -0.06 0.00 0.00 0.00 0.00 60.65 60.36 1tbu s ILE 94 Cb -0.04 -0.65 -0.03 0.00 0.01 0.00 0.00 42.46 41.74 1tbu s ILE 94 CO -0.00 0.25 0.04 -1.00 0.00 0.00 0.00 174.94 174.23 1tbu s HIS 95 N 1.02 3.14 0.12 3.97 3.76 0.13 -0.79 115.29 126.64 1tbu s HIS 95 Ca -0.09 -0.17 0.10 0.00 -0.15 0.00 0.00 55.06 54.75 1tbu s HIS 95 Cb -0.14 -2.09 -0.04 0.00 1.11 0.00 0.00 32.58 31.42 1tbu s HIS 95 CO -0.00 -0.04 -0.24 0.15 -0.85 0.00 0.00 174.74 173.75 1tbu s LYS 96 N 0.71 1.29 -0.07 1.40 -0.14 -0.38 -1.00 119.74 121.55 1tbu s LYS 96 Ca 0.02 -1.28 0.02 0.00 -1.36 0.00 0.00 55.97 53.37 1tbu s LYS 96 Cb -0.14 -1.69 -0.03 0.00 -1.68 0.00 0.00 37.83 34.30 1tbu s LYS 96 CO 0.02 0.40 -0.11 -1.14 -0.76 0.00 0.00 175.35 173.76 1tbu s GLN 97 N -2.01 2.70 -0.15 1.68 0.74 0.30 -0.87 119.66 122.04 1tbu s GLN 97 Ca 0.11 -0.63 0.01 0.00 0.05 0.00 0.00 55.36 54.89 1tbu s GLN 97 Cb -0.10 -2.49 0.02 0.00 1.10 0.00 0.00 33.01 31.54 1tbu s GLN 97 CO 0.05 0.60 -0.16 0.08 -0.55 0.00 0.00 175.29 175.32 1tbu s VAL 98 N -0.65 1.67 0.03 1.34 1.01 0.12 -0.36 120.40 123.56 1tbu s VAL 98 Ca 0.10 -0.70 0.04 0.00 0.00 0.00 0.00 61.98 61.41 1tbu s VAL 98 Cb -0.11 -1.55 -0.04 0.00 0.00 0.00 0.00 36.38 34.68 1tbu s VAL 98 CO 0.01 0.48 -0.05 -0.44 0.00 0.00 0.00 175.10 175.10 1tbu s SER 99 N 1.40 4.76 -0.08 3.32 0.01 -0.09 -0.82 113.70 122.21 1tbu s SER 99 Ca 0.04 -0.15 0.05 0.00 1.31 0.00 0.00 55.95 57.19 1tbu s SER 99 Cb -0.13 -1.12 -0.00 0.00 0.21 0.00 0.00 66.02 64.98 1tbu s SER 99 CO -0.10 0.25 -0.22 0.00 0.41 0.00 0.00 173.24 173.57 1tbu s ALA 100 N -1.09 2.00 0.01 1.44 0.00 0.26 -0.68 121.76 123.69 1tbu s ALA 100 Ca 0.19 -0.91 0.05 0.00 0.00 0.00 0.00 51.96 51.30 1tbu s ALA 100 Cb -0.11 -0.70 -0.02 0.00 0.00 0.00 0.00 23.12 22.29 1tbu s ALA 100 CO 0.10 0.31 -0.16 0.71 0.00 0.00 0.00 175.76 176.73 1tbu s TYR 101 N 0.17 1.40 -0.05 0.00 1.51 0.14 -0.68 117.35 119.85 1tbu s TYR 101 Ca -0.12 -0.29 0.00 0.00 -1.01 0.00 0.00 57.07 55.65 1tbu s TYR 101 Cb -0.16 -0.88 0.03 0.00 -0.11 0.00 0.00 41.96 40.84 1tbu s TYR 101 CO 0.06 0.00 -0.01 -0.65 -1.11 0.00 0.00 175.55 173.84 1tbu s GLN 102 N -0.63 0.57 -1.39 -0.62 -0.21 -0.81 -1.34 119.66 115.22 1tbu s GLN 102 Ca 0.05 0.03 -0.08 0.00 0.02 0.00 0.00 55.36 55.39 1tbu s GLN 102 Cb -0.07 -0.76 0.03 0.00 1.00 0.00 0.00 33.01 33.21 1tbu s GLN 102 CO 0.00 -0.17 1.00 0.72 -2.12 0.00 0.00 175.29 174.71 1tbu n HIS 103 N 4.46 -2.40 -2.30 0.91 8.25 -1.26 -0.90 115.22 121.98 1tbu n HIS 103 Ca -0.19 0.94 -0.21 0.00 -0.26 0.00 0.00 57.72 58.00 1tbu n HIS 103 Cb 0.50 -4.56 -0.02 0.00 1.12 0.00 0.00 29.99 27.03 1tbu n HIS 103 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1tbu n ASP 104 N -2.98 -5.85 -4.05 0.41 8.00 -1.26 -4.98 116.55 105.84 1tbu n ASP 104 Ca -0.08 0.05 -0.24 0.00 0.71 0.00 0.00 54.79 55.22 1tbu n ASP 104 Cb 0.59 -4.90 -0.16 0.00 -0.02 0.00 0.00 41.12 36.63 1tbu n ASP 104 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1tbu s LYS 105 N -4.88 1.61 -0.03 -1.24 1.02 -0.08 -5.10 119.74 111.04 1tbu s LYS 105 Ca 0.00 -0.45 -0.30 0.00 0.02 0.00 0.00 55.97 55.24 1tbu s LYS 105 Cb 0.00 -1.36 -0.05 0.00 -0.52 0.00 0.00 37.83 35.89 1tbu s LYS 105 CO 0.00 0.10 1.45 -1.17 -0.92 0.00 0.00 175.35 174.81 1tbu s LEU 106 N 0.42 4.30 -0.01 3.17 2.96 -1.26 -1.93 118.68 126.34 1tbu s LEU 106 Ca -0.10 2.11 0.11 0.00 -0.22 0.00 0.00 54.13 56.02 1tbu s LEU 106 Cb -0.14 -3.55 -0.15 0.00 0.50 0.00 0.00 46.19 42.86 1tbu s LEU 106 CO 0.03 -0.78 0.32 2.30 -1.32 0.00 0.00 176.35 176.90 1tbu n ILE 107 N 4.93 0.00 -3.64 6.68 -5.35 0.14 -4.45 119.36 117.67 1tbu n ILE 107 Ca 0.14 -0.25 -0.06 0.00 -0.27 0.00 0.00 62.75 62.32 1tbu n ILE 107 Cb 0.43 0.55 -0.07 0.00 -1.74 0.00 0.00 39.64 38.82 1tbu n ILE 107 CO 0.00 0.00 0.00 0.12 -1.76 0.00 0.00 176.55 174.91 1tbu s PHE 108 N -2.45 -0.32 -0.00 4.28 5.36 -1.21 -1.06 117.98 122.58 1tbu s PHE 108 Ca -0.01 0.76 -0.03 0.00 -0.96 0.00 0.00 56.93 56.69 1tbu s PHE 108 Cb 0.07 0.38 -0.00 0.00 -0.34 0.00 0.00 43.02 43.13 1tbu s PHE 108 CO 0.44 -0.16 0.06 -0.08 -1.46 0.00 0.00 175.22 174.02 1tbu s THR 109 N 0.34 0.06 -0.01 0.12 -1.32 -0.83 -0.57 115.64 113.43 1tbu s THR 109 Ca 0.03 -0.53 0.01 0.00 -1.21 0.00 0.00 61.69 59.99 1tbu s THR 109 Cb -0.05 -0.27 -0.00 0.00 -1.51 0.00 0.00 72.50 70.68 1tbu s THR 109 CO -0.11 -0.29 -0.04 -0.55 -2.21 0.00 0.00 174.62 171.42 1tbu s SER 110 N -0.92 0.50 -0.23 8.08 0.15 0.00 -0.20 113.70 121.07 1tbu s SER 110 Ca -0.10 -0.07 -0.10 0.00 0.70 0.00 0.00 55.95 56.38 1tbu s SER 110 Cb -0.06 -0.07 -0.05 0.00 -1.71 0.00 0.00 66.02 64.13 1tbu s SER 110 CO 0.00 0.04 0.13 -0.32 1.20 0.00 0.00 173.24 174.30 1tbu s MET 111 N -0.03 4.02 -0.13 5.44 1.75 0.77 0.11 119.30 131.23 1tbu s MET 111 Ca 0.01 -0.30 0.02 0.00 -1.25 0.00 0.00 55.69 54.17 1tbu s MET 111 Cb -0.02 -3.46 0.00 0.00 2.84 0.00 0.00 34.83 34.19 1tbu s MET 111 CO -0.00 0.08 -0.20 0.42 -0.65 0.00 0.00 175.02 174.67 1tbu s ILE 112 N 0.97 2.32 -0.16 10.11 1.01 -0.05 -0.89 121.20 134.51 1tbu s ILE 112 Ca 0.07 -0.91 -0.04 0.00 0.00 0.00 0.00 60.65 59.76 1tbu s ILE 112 Cb -0.13 -1.93 -0.03 0.00 0.01 0.00 0.00 42.46 40.38 1tbu s ILE 112 CO 0.03 0.54 -0.02 -0.76 0.00 0.00 0.00 174.94 174.74 1tbu s LEU 113 N 0.57 3.38 0.14 2.97 1.02 -0.59 -1.24 118.68 124.92 1tbu s LEU 113 Ca -0.12 -0.07 0.10 0.00 0.02 0.00 0.00 54.13 54.06 1tbu s LEU 113 Cb -0.16 -1.82 -0.04 0.00 0.02 0.00 0.00 46.19 44.19 1tbu s LEU 113 CO 0.04 0.18 -0.24 -0.36 0.02 0.00 0.00 176.35 175.99 1tbu s PHE 114 N 0.27 2.09 0.08 0.29 0.40 0.03 0.00 117.98 121.16 1tbu s PHE 114 Ca -0.02 -0.40 0.03 0.00 -0.60 0.00 0.00 56.93 55.95 1tbu s PHE 114 Cb -0.14 -1.11 -0.03 0.00 0.51 0.00 0.00 43.02 42.25 1tbu s PHE 114 CO 0.02 0.32 -0.09 0.00 0.70 0.00 0.00 175.22 176.17 1tbu s ALA 115 N -1.29 0.98 -2.00 5.36 0.00 0.84 -2.38 121.76 123.28 1tbu s ALA 115 Ca 0.13 -1.10 0.32 0.00 0.00 0.00 0.00 51.96 51.31 1tbu s ALA 115 Cb -0.09 0.04 1.91 0.00 0.00 0.00 0.00 23.12 24.97 1tbu s ALA 115 CO 0.06 -0.04 2.23 1.55 0.00 0.00 0.00 175.76 179.56