#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tbu n LEU 15 N 0.00 3.05 -4.75 9.51 7.94 -1.26 -4.97 117.00 126.51 1tbu n LEU 15 Ca 0.00 -2.67 -0.41 0.00 -1.11 0.00 0.00 56.01 51.82 1tbu n LEU 15 Cb 0.00 -0.37 -0.04 0.00 0.53 0.00 0.00 43.42 43.54 1tbu n LEU 15 CO 0.00 0.67 0.81 -0.70 -1.11 0.00 0.00 177.39 177.06 1tbu s GLU 16 N -2.19 4.60 0.17 1.96 2.12 -1.26 -4.85 118.70 119.25 1tbu s GLU 16 Ca 0.30 1.81 0.11 0.00 0.36 0.00 0.00 54.97 57.55 1tbu s GLU 16 Cb 0.23 -3.21 -0.04 0.00 0.26 0.00 0.00 34.13 31.37 1tbu s GLU 16 CO 0.08 0.13 -0.24 -0.51 -0.54 0.00 0.00 175.26 174.18 1tbu s LEU 17 N -1.09 2.40 -0.27 2.70 1.43 -1.26 -1.78 118.68 120.82 1tbu s LEU 17 Ca 0.47 -0.83 -0.04 0.00 -1.03 0.00 0.00 54.13 52.69 1tbu s LEU 17 Cb -0.32 -1.14 0.02 0.00 0.03 0.00 0.00 46.19 44.78 1tbu s LEU 17 CO 0.40 0.12 -0.00 -0.69 0.23 0.00 0.00 176.35 176.40 1tbu s VAL 18 N -1.55 3.33 -0.15 -1.59 1.01 0.82 -4.84 120.40 117.43 1tbu s VAL 18 Ca 0.18 -0.88 -0.29 0.00 0.00 0.00 0.00 61.98 60.99 1tbu s VAL 18 Cb -0.08 -2.70 -0.05 0.00 0.00 0.00 0.00 36.38 33.55 1tbu s VAL 18 CO 0.09 0.15 1.84 -2.84 0.00 0.00 0.00 175.10 174.34 1tbu s PRO 19 N 1.40 3.73 0.00 2.72 0.02 -1.26 -1.42 135.00 140.19 1tbu s PRO 19 Ca 0.01 1.99 0.25 0.00 0.02 0.00 0.00 61.00 63.27 1tbu s PRO 19 Cb -0.17 -4.14 0.48 0.00 0.02 0.00 0.00 34.50 30.68 1tbu s PRO 19 CO -0.02 -1.39 1.39 1.28 -0.33 0.00 0.00 177.00 177.93 1tbu n LEU 20 N 8.95 0.80 0.00 -5.54 4.77 0.09 -4.96 117.00 121.11 1tbu n LEU 20 Ca 0.22 -0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 1tbu n LEU 20 Cb 0.44 -0.17 0.02 0.00 -2.33 0.00 0.00 43.42 41.38 1tbu n LEU 20 CO 0.66 0.17 0.96 -1.54 -1.33 0.00 0.00 177.39 176.31 1tbu n SER 21 N -1.16 -1.38 0.28 -1.43 3.41 -1.05 -4.90 113.62 107.38 1tbu n SER 21 Ca 0.08 -1.51 0.14 0.00 -0.26 0.00 0.00 58.87 57.32 1tbu n SER 21 Cb 0.35 2.20 0.80 0.00 -0.26 0.00 0.00 64.21 67.29 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 -2.01 -3.28 132.00 131.15 1tbu h PRO 22 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 1tbu h PRO 22 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1tbu h PRO 22 CO 0.32 0.07 0.00 0.25 -0.21 0.00 0.00 178.00 178.44 1tbu n THR 23 N -3.72 0.00 -4.60 -1.15 -2.24 -1.26 -4.76 114.28 96.55 1tbu n THR 23 Ca -0.02 -0.44 -0.22 0.00 -2.27 0.00 0.00 64.05 61.10 1tbu n THR 23 Cb 0.18 1.10 -0.15 0.00 -2.10 0.00 0.00 70.33 69.36 1tbu n THR 23 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1tbu s SER 24 N -0.12 1.64 -0.06 3.42 0.15 -1.24 -0.47 113.70 117.03 1tbu s SER 24 Ca 0.00 -0.28 -0.05 0.00 0.70 0.00 0.00 55.95 56.31 1tbu s SER 24 Cb 0.00 -0.17 0.01 0.00 -1.71 0.00 0.00 66.02 64.15 1tbu s SER 24 CO 0.00 0.15 0.15 -0.36 1.20 0.00 0.00 173.24 174.38 1tbu s PHE 25 N -0.41 -0.16 0.08 3.44 0.40 -0.21 -0.73 117.98 120.39 1tbu s PHE 25 Ca 0.05 0.39 0.09 0.00 -0.60 0.00 0.00 56.93 56.86 1tbu s PHE 25 Cb -0.06 0.05 -0.03 0.00 0.51 0.00 0.00 43.02 43.49 1tbu s PHE 25 CO -0.00 -0.09 -0.24 0.08 0.70 0.00 0.00 175.22 175.67 1tbu s VAL 26 N 0.04 1.96 0.48 -0.44 1.01 -0.51 -0.13 120.40 122.81 1tbu s VAL 26 Ca -0.00 -1.49 -0.24 0.00 0.00 0.00 0.00 61.98 60.25 1tbu s VAL 26 Cb -0.01 -1.73 -0.07 0.00 0.00 0.00 0.00 36.38 34.57 1tbu s VAL 26 CO 0.00 0.14 1.31 0.42 0.00 0.00 0.00 175.10 176.98 1tbu s THR 27 N -0.97 2.43 -0.12 3.92 -4.23 -0.63 -0.13 115.64 115.92 1tbu s THR 27 Ca 0.10 0.35 -0.28 0.00 -1.18 0.00 0.00 61.69 60.68 1tbu s THR 27 Cb -0.10 -3.19 -0.27 0.00 1.34 0.00 0.00 72.50 70.29 1tbu s THR 27 CO 0.04 0.02 0.81 0.50 -0.54 0.00 0.00 174.62 175.44 1tbu h LYS 28 N 2.02 0.05 -6.26 3.99 3.64 -1.67 -3.44 116.57 114.88 1tbu h LYS 28 Ca -0.50 -0.08 -0.46 0.00 -1.27 0.00 0.00 60.65 58.34 1tbu h LYS 28 Cb 1.27 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.11 1tbu h LYS 28 CO 0.60 1.02 -0.39 0.71 -2.27 0.00 0.00 179.45 179.12 1tbu s TYR 29 N -2.32 3.15 0.27 1.91 1.51 -1.26 -5.09 117.35 115.52 1tbu s TYR 29 Ca -0.18 -0.18 -0.29 0.00 -1.01 0.00 0.00 57.07 55.40 1tbu s TYR 29 Cb -0.02 -1.83 -0.09 0.00 -0.11 0.00 0.00 41.96 39.90 1tbu s TYR 29 CO 0.71 0.15 1.16 -0.51 -1.11 0.00 0.00 175.55 175.96 1tbu s LEU 30 N -4.08 4.51 0.00 -1.29 1.43 -1.26 -4.86 118.68 113.12 1tbu s LEU 30 Ca 0.41 2.36 0.00 0.00 -1.03 0.00 0.00 54.13 55.87 1tbu s LEU 30 Cb -0.09 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.51 1tbu s LEU 30 CO 0.29 -0.27 0.00 -2.65 0.23 0.00 0.00 176.35 173.95 1tbu n PRO 31 N 1.33 0.60 -3.73 1.29 -0.02 -1.25 -5.06 135.00 128.17 1tbu n PRO 31 Ca 0.00 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.36 1tbu n PRO 31 Cb 0.44 0.00 -0.12 0.00 -0.02 0.00 0.00 33.50 33.80 1tbu n PRO 31 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1tbu s THR 40 N 0.00 -0.03 0.32 3.45 2.01 -1.26 -4.91 115.64 115.21 1tbu s THR 40 Ca 0.00 0.12 -0.29 0.00 0.31 0.00 0.00 61.69 61.83 1tbu s THR 40 Cb 0.00 -0.44 -0.10 0.00 0.01 0.00 0.00 72.50 71.97 1tbu s THR 40 CO 0.00 0.05 1.27 0.12 -0.69 0.00 0.00 174.62 175.37 1tbu s PHE 41 N 1.15 3.15 0.21 4.92 5.36 -1.26 -4.65 117.98 126.86 1tbu s PHE 41 Ca -0.08 1.46 0.06 0.00 -0.96 0.00 0.00 56.93 57.41 1tbu s PHE 41 Cb -0.09 -3.61 0.14 0.00 -0.34 0.00 0.00 43.02 39.12 1tbu s PHE 41 CO -0.08 -1.63 1.48 0.78 -1.46 0.00 0.00 175.22 174.31 1tbu h GLY 42 N 3.50 0.12 1.47 13.12 0.00 -2.03 -2.84 103.07 116.40 1tbu h GLY 42 Ca -0.48 -0.18 0.04 0.00 0.00 0.00 0.00 47.33 46.71 1tbu h GLY 42 CO 0.66 0.16 0.26 -1.33 0.00 0.00 0.00 176.54 176.29 1tbu h GLY 43 N 1.95 0.40 1.12 4.60 0.00 -1.99 0.24 103.07 109.39 1tbu h GLY 43 Ca -0.02 -0.13 -0.18 0.00 0.00 0.00 0.00 47.33 46.99 1tbu h GLY 43 CO 0.11 0.11 -0.56 -0.84 0.00 0.00 0.00 176.54 175.36 1tbu h THR 44 N 0.34 1.28 -0.30 4.70 2.02 -1.89 -2.00 112.91 117.05 1tbu h THR 44 Ca 0.16 -1.75 -0.01 0.00 0.77 0.00 0.00 66.41 65.58 1tbu h THR 44 Cb 0.22 1.71 -0.01 0.00 -1.74 0.00 0.00 68.15 68.33 1tbu h THR 44 CO -0.04 0.57 0.15 -0.07 0.37 0.00 0.00 175.52 176.50 1tbu h LEU 45 N 0.60 0.39 -0.37 2.58 4.07 -1.32 -1.67 115.31 119.59 1tbu h LEU 45 Ca 0.00 -0.12 -0.13 0.00 0.08 0.00 0.00 57.88 57.71 1tbu h LEU 45 Cb 1.17 -0.10 -0.01 0.00 1.08 0.00 0.00 40.66 42.81 1tbu h LEU 45 CO 0.12 0.40 -0.29 0.58 -1.08 0.00 0.00 178.44 178.16 1tbu h VAL 46 N 0.35 1.28 -0.31 1.22 2.07 -0.96 -1.99 116.25 117.92 1tbu h VAL 46 Ca 0.10 -1.46 -0.06 0.00 0.82 0.00 0.00 66.70 66.10 1tbu h VAL 46 Cb 0.11 1.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 1tbu h VAL 46 CO -0.01 0.48 -0.04 0.28 0.02 0.00 0.00 177.57 178.29 1tbu h SER 47 N 0.64 0.58 0.09 0.57 0.02 -1.36 -1.68 113.55 112.41 1tbu h SER 47 Ca 0.07 -0.34 -0.22 0.00 -0.84 0.00 0.00 61.79 60.45 1tbu h SER 47 Cb 0.87 -0.16 0.01 0.00 0.14 0.00 0.00 62.40 63.26 1tbu h SER 47 CO 0.08 0.78 -0.84 1.56 -1.14 0.00 0.00 176.83 177.27 1tbu h GLN 48 N 0.36 0.59 -0.59 3.45 4.20 -1.33 -1.57 115.11 120.22 1tbu h GLN 48 Ca 0.08 -0.53 -0.01 0.00 0.06 0.00 0.00 58.65 58.25 1tbu h GLN 48 Cb 0.51 0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.39 1tbu h GLN 48 CO 0.02 1.15 0.32 0.66 -0.67 0.00 0.00 178.83 180.31 1tbu h SER 49 N 0.38 0.72 0.05 1.46 4.64 -1.34 0.16 113.55 119.61 1tbu h SER 49 Ca -0.06 -0.05 -0.00 0.00 -0.47 0.00 0.00 61.79 61.20 1tbu h SER 49 Cb 1.46 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1tbu h SER 49 CO 0.16 0.59 -0.02 0.25 -0.87 0.00 0.00 176.83 176.93 1tbu h LEU 50 N 0.82 -0.05 -0.75 5.97 6.46 -1.00 -2.43 115.31 124.33 1tbu h LEU 50 Ca 0.21 -0.32 0.11 0.00 -0.12 0.00 0.00 57.88 57.76 1tbu h LEU 50 Cb 0.03 0.01 -0.08 0.00 -0.73 0.00 0.00 40.66 39.89 1tbu h LEU 50 CO -0.03 0.30 0.37 -0.07 -0.62 0.00 0.00 178.44 178.38 1tbu h LEU 51 N -0.41 0.46 -0.64 2.25 3.38 -1.03 -1.10 115.31 118.22 1tbu h LEU 51 Ca -0.01 0.07 0.04 0.00 0.09 0.00 0.00 57.88 58.07 1tbu h LEU 51 Cb 0.37 -0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.07 1tbu h LEU 51 CO 0.01 0.24 0.38 0.00 0.09 0.00 0.00 178.44 179.16 1tbu h ALA 52 N 1.47 0.84 -0.30 1.53 0.00 -0.81 -1.91 119.26 120.08 1tbu h ALA 52 Ca 0.38 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 55.16 1tbu h ALA 52 Cb 0.45 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1tbu h ALA 52 CO -0.30 0.10 -0.32 0.66 0.00 0.00 0.00 179.25 179.38 1tbu h SER 53 N 0.73 0.66 0.19 0.00 4.64 -0.84 -2.76 113.55 116.17 1tbu h SER 53 Ca 0.27 -0.26 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1tbu h SER 53 Cb 0.08 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 61.98 1tbu h SER 53 CO -0.13 0.93 -0.11 -0.07 -0.87 0.00 0.00 176.83 176.59 1tbu h LEU 54 N 0.54 0.00 -0.10 5.97 3.38 -0.43 -1.22 115.31 123.46 1tbu h LEU 54 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1tbu h LEU 54 Cb 0.82 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.57 1tbu h LEU 54 CO 0.07 0.11 0.00 1.41 0.09 0.00 0.00 178.44 180.11 1tbu n HIS 55 N -4.00 0.52 0.62 1.13 8.25 -1.04 -3.56 115.22 117.14 1tbu n HIS 55 Ca -0.02 0.16 0.10 0.00 -0.26 0.00 0.00 57.72 57.70 1tbu n HIS 55 Cb 0.19 -0.77 0.13 0.00 1.12 0.00 0.00 29.99 30.67 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 -1.94 0.21 -4.64 1.59 -2.24 -0.47 -4.99 114.28 101.80 1tbu n THR 56 Ca 0.05 -0.61 -0.28 0.00 -2.27 0.00 0.00 64.05 60.94 1tbu n THR 56 Cb 0.35 1.24 -0.14 0.00 -2.10 0.00 0.00 70.33 69.68 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 -1.59 2.06 0.63 2.28 1.01 -1.18 -5.11 120.40 118.49 1tbu s VAL 57 Ca 0.28 -1.49 -0.19 0.00 0.00 0.00 0.00 61.98 60.59 1tbu s VAL 57 Cb 0.19 -1.79 -0.02 0.00 0.00 0.00 0.00 36.38 34.75 1tbu s VAL 57 CO 0.27 0.21 1.28 -2.65 0.00 0.00 0.00 175.10 174.21 1tbu n PRO 58 N 1.45 1.19 0.13 2.72 -0.02 -1.26 -4.89 135.00 134.31 1tbu n PRO 58 Ca -0.18 0.46 0.05 0.00 -2.02 0.00 0.00 63.50 61.82 1tbu n PRO 58 Cb 0.53 -2.51 0.51 0.00 -0.02 0.00 0.00 33.50 32.01 1tbu n PRO 58 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1tbu h LEU 59 N 0.66 0.23 0.00 2.45 3.38 -2.00 0.67 115.31 120.71 1tbu h LEU 59 Ca -0.51 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.45 1tbu h LEU 59 Cb 1.34 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.03 1tbu h LEU 59 CO 0.53 0.20 0.00 -0.46 0.09 0.00 0.00 178.44 178.81 1tbu n ASN 60 N -4.47 0.00 -4.82 -0.43 6.94 -1.26 -4.80 115.26 106.42 1tbu n ASN 60 Ca -0.00 -0.74 -0.36 0.00 -0.02 0.00 0.00 54.58 53.45 1tbu n ASN 60 Cb 0.11 -0.01 -0.07 0.00 -2.36 0.00 0.00 39.78 37.45 1tbu n ASN 60 CO 0.00 0.00 0.00 -0.36 -1.03 0.00 0.00 177.26 175.87 1tbu s PHE 61 N -2.03 3.51 0.10 -2.53 0.40 0.23 -2.24 117.98 115.42 1tbu s PHE 61 Ca 0.37 0.44 0.08 0.00 -0.60 0.00 0.00 56.93 57.21 1tbu s PHE 61 Cb 0.17 -1.98 -0.03 0.00 0.51 0.00 0.00 43.02 41.68 1tbu s PHE 61 CO 0.29 0.60 -0.20 -0.06 0.70 0.00 0.00 175.22 176.55 1tbu s PHE 62 N -0.66 1.69 0.19 0.36 0.40 -0.03 -4.88 117.98 115.05 1tbu s PHE 62 Ca 0.13 -0.42 -0.31 0.00 -0.60 0.00 0.00 56.93 55.72 1tbu s PHE 62 Cb -0.12 -0.93 -0.10 0.00 0.51 0.00 0.00 43.02 42.38 1tbu s PHE 62 CO 0.02 0.18 1.59 -1.25 0.70 0.00 0.00 175.22 176.46 1tbu s PRO 63 N -1.88 4.20 -0.21 0.24 0.04 -1.26 -0.61 135.00 135.52 1tbu s PRO 63 Ca 0.05 2.41 0.11 0.00 0.04 0.00 0.00 61.00 63.61 1tbu s PRO 63 Cb -0.10 -3.13 -0.20 0.00 0.04 0.00 0.00 34.50 31.11 1tbu s PRO 63 CO 0.04 -0.62 -0.05 0.25 0.04 0.00 0.00 177.00 176.66 1tbu n THR 64 N 3.74 1.35 -3.72 1.26 -2.24 0.14 -4.88 114.28 109.93 1tbu n THR 64 Ca 0.13 -0.70 -0.10 0.00 -2.27 0.00 0.00 64.05 61.12 1tbu n THR 64 Cb 0.38 -0.85 -0.04 0.00 -2.10 0.00 0.00 70.33 67.71 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 -5.77 -0.23 0.06 3.42 1.04 -1.20 -5.03 113.70 106.00 1tbu s SER 65 Ca -0.19 -0.46 -0.05 0.00 0.48 0.00 0.00 55.95 55.72 1tbu s SER 65 Cb 0.07 0.53 -0.02 0.00 0.10 0.00 0.00 66.02 66.70 1tbu s SER 65 CO 0.69 -0.97 0.09 -1.48 0.98 0.00 0.00 173.24 172.55 1tbu s LEU 66 N -2.86 1.90 -0.23 2.42 -0.00 -1.26 -1.40 118.68 117.24 1tbu s LEU 66 Ca 0.08 -0.73 -0.03 0.00 -0.00 0.00 0.00 54.13 53.45 1tbu s LEU 66 Cb 0.00 0.62 0.10 0.00 -0.00 0.00 0.00 46.19 46.91 1tbu s LEU 66 CO -0.05 -0.61 0.20 -1.00 -0.00 0.00 0.00 176.35 174.88 1tbu s HIS 67 N -3.47 -0.13 -0.06 3.48 3.76 0.10 -4.99 115.29 113.99 1tbu s HIS 67 Ca 0.02 -0.16 0.01 0.00 -0.15 0.00 0.00 55.06 54.78 1tbu s HIS 67 Cb 0.04 -0.54 -0.03 0.00 1.11 0.00 0.00 32.58 33.16 1tbu s HIS 67 CO -0.09 -0.70 -0.06 -1.12 -0.85 0.00 0.00 174.74 171.92 1tbu s SER 68 N 2.26 4.68 -0.12 1.40 0.01 -1.26 -0.78 113.70 119.89 1tbu s SER 68 Ca 0.07 -0.02 0.01 0.00 1.31 0.00 0.00 55.95 57.32 1tbu s SER 68 Cb -0.15 -1.18 0.02 0.00 0.21 0.00 0.00 66.02 64.92 1tbu s SER 68 CO -0.21 0.35 -0.15 -0.31 0.41 0.00 0.00 173.24 173.34 1tbu s TYR 69 N -0.84 2.00 -0.51 2.43 1.51 0.19 -5.01 117.35 117.13 1tbu s TYR 69 Ca 0.13 -0.99 -0.17 0.00 -1.01 0.00 0.00 57.07 55.02 1tbu s TYR 69 Cb -0.11 -1.46 0.08 0.00 -0.11 0.00 0.00 41.96 40.36 1tbu s TYR 69 CO 0.02 -0.53 0.53 -0.06 -1.11 0.00 0.00 175.55 174.40 1tbu s PHE 70 N 1.15 3.14 -0.18 2.71 0.40 -1.26 -2.17 117.98 121.77 1tbu s PHE 70 Ca -0.03 -0.81 0.07 0.00 -0.60 0.00 0.00 56.93 55.57 1tbu s PHE 70 Cb -0.14 -3.47 -0.22 0.00 0.51 0.00 0.00 43.02 39.70 1tbu s PHE 70 CO -0.04 -0.97 0.13 -0.89 0.70 0.00 0.00 175.22 174.15 1tbu n ILE 71 N 5.41 1.53 -3.68 0.64 5.41 -0.49 -4.97 119.36 123.22 1tbu n ILE 71 Ca -0.10 -0.72 -0.14 0.00 1.00 0.00 0.00 62.75 62.79 1tbu n ILE 71 Cb 0.44 -1.10 -0.08 0.00 -0.71 0.00 0.00 39.64 38.18 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 -2.53 0.70 0.50 0.38 2.20 -0.66 -4.99 119.74 115.35 1tbu s LYS 72 Ca -0.19 0.49 -0.21 0.00 -0.36 0.00 0.00 55.97 55.69 1tbu s LYS 72 Cb 0.07 0.33 -0.07 0.00 -1.51 0.00 0.00 37.83 36.66 1tbu s LYS 72 CO 0.74 -0.14 1.13 0.20 -0.36 0.00 0.00 175.35 176.93 1tbu s GLY 73 N -0.26 2.69 0.00 5.54 0.00 -1.26 -4.72 107.32 109.30 1tbu s GLY 73 Ca -0.04 0.85 0.00 0.00 0.00 0.00 0.00 44.72 45.53 1tbu s GLY 73 CO 0.03 1.24 0.00 0.61 0.00 0.00 0.00 173.10 174.98 1tbu n GLY 74 N 0.25 0.96 1.17 0.20 0.00 -1.26 -4.95 105.19 101.56 1tbu n GLY 74 Ca 0.10 -1.35 -0.19 0.00 0.00 0.00 0.00 46.02 44.58 1tbu n GLY 74 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1tbu n ASP 75 N 0.40 -0.10 0.00 1.61 5.75 -1.26 -4.50 116.55 118.45 1tbu n ASP 75 Ca 0.00 0.39 0.03 0.00 -0.01 0.00 0.00 54.79 55.20 1tbu n ASP 75 Cb 0.00 -0.31 0.16 0.00 -1.03 0.00 0.00 41.12 39.93 1tbu n ASP 75 CO 0.00 0.00 0.00 -0.81 -0.11 0.00 0.00 177.20 176.28 1tbu n PRO 76 N 0.47 0.01 0.00 0.11 -0.04 -1.26 -3.47 135.00 130.81 1tbu n PRO 76 Ca 0.07 0.37 0.13 0.00 -0.04 0.00 0.00 63.50 64.02 1tbu n PRO 76 Cb 0.04 -1.50 0.39 0.00 -0.04 0.00 0.00 33.50 32.39 1tbu n PRO 76 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1tbu n ARG 77 N -1.49 0.32 -4.23 0.54 1.74 -1.26 -3.90 116.66 108.38 1tbu n ARG 77 Ca 0.02 -0.16 -0.13 0.00 -0.77 0.00 0.00 57.85 56.80 1tbu n ARG 77 Cb 0.08 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 29.93 1tbu n ARG 77 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 1tbu s THR 78 N -2.79 0.97 0.83 0.55 -1.32 -1.23 -5.04 115.64 107.62 1tbu s THR 78 Ca 0.18 -2.01 -0.11 0.00 -1.21 0.00 0.00 61.69 58.54 1tbu s THR 78 Cb 0.19 -1.86 0.09 0.00 -1.51 0.00 0.00 72.50 69.41 1tbu s THR 78 CO 0.60 -0.73 1.10 -1.59 -2.21 0.00 0.00 174.62 171.79 1tbu s LYS 79 N -3.80 1.77 -0.13 7.08 -2.85 -1.26 -4.31 119.74 116.24 1tbu s LYS 79 Ca 0.17 1.18 -0.00 0.00 -1.00 0.00 0.00 55.97 56.32 1tbu s LYS 79 Cb 0.04 -1.84 -0.02 0.00 -2.06 0.00 0.00 37.83 33.95 1tbu s LYS 79 CO -0.00 -1.99 -0.12 0.42 0.10 0.00 0.00 175.35 173.76 1tbu s ILE 80 N -2.85 3.14 -0.24 3.79 1.01 -1.26 -4.68 121.20 120.11 1tbu s ILE 80 Ca 0.63 -0.63 -0.09 0.00 0.00 0.00 0.00 60.65 60.55 1tbu s ILE 80 Cb -0.19 -2.32 -0.04 0.00 0.01 0.00 0.00 42.46 39.93 1tbu s ILE 80 CO 0.57 0.53 0.12 -0.89 0.00 0.00 0.00 174.94 175.26 1tbu s THR 81 N 0.25 4.86 -0.11 2.92 2.01 -0.93 -1.60 115.64 123.03 1tbu s THR 81 Ca -0.08 0.01 -0.10 0.00 0.31 0.00 0.00 61.69 61.82 1tbu s THR 81 Cb -0.15 -3.26 -0.05 0.00 0.01 0.00 0.00 72.50 69.05 1tbu s THR 81 CO 0.05 0.34 0.22 -0.31 -0.69 0.00 0.00 174.62 174.23 1tbu s TYR 82 N 1.29 3.59 -0.10 4.92 1.51 0.81 -0.10 117.35 129.27 1tbu s TYR 82 Ca 0.06 0.62 0.03 0.00 -1.01 0.00 0.00 57.07 56.77 1tbu s TYR 82 Cb -0.15 -2.10 0.01 0.00 -0.11 0.00 0.00 41.96 39.61 1tbu s TYR 82 CO 0.05 0.59 -0.18 -1.01 -1.11 0.00 0.00 175.55 173.89 1tbu s HIS 83 N -0.66 2.14 -0.22 2.71 3.76 -0.00 -1.05 115.29 121.97 1tbu s HIS 83 Ca 0.16 -0.96 -0.10 0.00 -0.15 0.00 0.00 55.06 54.02 1tbu s HIS 83 Cb -0.13 -1.50 -0.05 0.00 1.11 0.00 0.00 32.58 32.02 1tbu s HIS 83 CO 0.05 -0.45 0.14 0.08 -0.85 0.00 0.00 174.74 173.71 1tbu s VAL 84 N 0.74 5.25 -0.10 -0.90 1.01 0.38 -1.02 120.40 125.77 1tbu s VAL 84 Ca -0.11 0.14 0.03 0.00 0.00 0.00 0.00 61.98 62.04 1tbu s VAL 84 Cb -0.16 -3.43 -0.01 0.00 0.00 0.00 0.00 36.38 32.79 1tbu s VAL 84 CO 0.02 0.38 -0.21 0.00 0.00 0.00 0.00 175.10 175.29 1tbu s GLN 85 N 0.84 3.09 0.08 2.72 0.00 0.72 -4.83 119.66 122.28 1tbu s GLN 85 Ca 0.07 -0.83 -0.31 0.00 -0.00 0.00 0.00 55.36 54.29 1tbu s GLN 85 Cb -0.13 -2.38 -0.07 0.00 0.00 0.00 0.00 33.01 30.44 1tbu s GLN 85 CO 0.03 0.21 1.29 1.21 0.00 0.00 0.00 175.29 178.03 1tbu s ASN 86 N 0.28 6.95 -0.24 12.60 2.47 -1.26 -1.10 114.94 134.65 1tbu s ASN 86 Ca -0.15 2.15 0.04 0.00 0.42 0.00 0.00 52.86 55.33 1tbu s ASN 86 Cb -0.17 -2.58 -0.17 0.00 -1.45 0.00 0.00 41.25 36.88 1tbu s ASN 86 CO 0.08 -0.57 -0.17 0.18 -3.72 0.00 0.00 177.10 172.90 1tbu n LEU 87 N 4.05 2.50 -3.64 3.21 4.77 0.57 -4.90 117.00 123.56 1tbu n LEU 87 Ca 0.10 -0.11 -0.05 0.00 -0.03 0.00 0.00 56.01 55.92 1tbu n LEU 87 Cb 0.44 -0.64 -0.07 0.00 -2.33 0.00 0.00 43.42 40.83 1tbu n LEU 87 CO 0.57 0.84 0.70 -0.60 -1.33 0.00 0.00 177.39 177.57 1tbu s ARG 88 N -2.48 0.43 0.13 3.23 6.06 -1.12 -4.99 118.95 120.20 1tbu s ARG 88 Ca -0.29 0.64 -0.03 0.00 -2.50 0.00 0.00 55.73 53.55 1tbu s ARG 88 Cb 0.08 0.14 -0.03 0.00 0.06 0.00 0.00 34.95 35.20 1tbu s ARG 88 CO 0.60 -0.07 0.11 0.54 -2.50 0.00 0.00 175.30 173.98 1tbu s ASN 89 N 0.93 0.25 0.08 -2.12 4.22 -1.26 -0.49 114.94 116.55 1tbu s ASN 89 Ca -0.04 -1.08 -0.04 0.00 -2.14 0.00 0.00 52.86 49.55 1tbu s ASN 89 Cb -0.04 0.32 0.02 0.00 1.28 0.00 0.00 41.25 42.83 1tbu s ASN 89 CO -0.12 -0.76 0.23 0.61 -2.04 0.00 0.00 177.10 175.02 1tbu n GLY 90 N -0.11 1.51 0.08 0.45 0.00 -0.43 -5.01 105.19 101.68 1tbu n GLY 90 Ca -0.07 -1.04 -0.12 0.00 0.00 0.00 0.00 46.02 44.79 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 0.11 0.00 1.61 2.43 -2.03 -3.32 114.38 113.18 1tbu h ARG 91 Ca -0.08 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 1tbu h ARG 91 Cb 0.31 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 1tbu h ARG 91 CO 0.10 0.35 -0.85 0.09 -1.51 0.00 0.00 179.97 178.15 1tbu n ASN 92 N -4.88 0.84 -3.91 -3.80 3.02 -1.26 -4.81 115.26 100.45 1tbu n ASN 92 Ca -0.07 -0.90 -0.11 0.00 -0.03 0.00 0.00 54.58 53.48 1tbu n ASN 92 Cb 0.17 1.01 -0.12 0.00 -0.61 0.00 0.00 39.78 40.23 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 -2.68 0.10 -0.02 3.10 2.99 -1.25 -1.83 117.98 118.39 1tbu s PHE 93 Ca 0.06 -0.21 0.02 0.00 0.00 0.00 0.00 56.93 56.80 1tbu s PHE 93 Cb 0.13 -0.08 0.01 0.00 0.00 0.00 0.00 43.02 43.08 1tbu s PHE 93 CO 0.73 -0.12 -0.06 0.42 -0.00 0.00 0.00 175.22 176.19 1tbu s ILE 94 N -0.79 0.56 -0.17 0.64 1.01 -0.64 -1.31 121.20 120.50 1tbu s ILE 94 Ca -0.09 -0.22 -0.02 0.00 0.00 0.00 0.00 60.65 60.32 1tbu s ILE 94 Cb -0.05 -0.53 -0.01 0.00 0.01 0.00 0.00 42.46 41.88 1tbu s ILE 94 CO -0.00 0.19 -0.09 -1.00 0.00 0.00 0.00 174.94 174.05 1tbu s HIS 95 N 0.37 2.90 0.13 3.97 3.76 0.36 -0.08 115.29 126.70 1tbu s HIS 95 Ca -0.05 -0.73 0.10 0.00 -0.15 0.00 0.00 55.06 54.24 1tbu s HIS 95 Cb -0.09 -1.96 -0.04 0.00 1.11 0.00 0.00 32.58 31.60 1tbu s HIS 95 CO 0.00 -0.32 -0.23 0.15 -0.85 0.00 0.00 174.74 173.49 1tbu s LYS 96 N 0.79 1.56 -0.09 1.40 -0.14 -0.27 -0.32 119.74 122.68 1tbu s LYS 96 Ca -0.03 -1.30 0.03 0.00 -1.36 0.00 0.00 55.97 53.31 1tbu s LYS 96 Cb -0.15 -1.98 -0.01 0.00 -1.68 0.00 0.00 37.83 34.01 1tbu s LYS 96 CO 0.01 0.46 -0.17 -1.14 -0.76 0.00 0.00 175.35 173.75 1tbu s GLN 97 N -2.16 2.96 -0.22 1.68 2.00 -0.25 -0.81 119.66 122.86 1tbu s GLN 97 Ca 0.16 -0.76 0.01 0.00 -2.00 0.00 0.00 55.36 52.77 1tbu s GLN 97 Cb -0.10 -2.43 0.03 0.00 0.80 0.00 0.00 33.01 31.32 1tbu s GLN 97 CO 0.08 0.34 -0.14 0.08 -0.50 0.00 0.00 175.29 175.15 1tbu s VAL 98 N -0.02 2.25 -0.12 1.34 1.01 0.96 -0.20 120.40 125.62 1tbu s VAL 98 Ca -0.05 -1.18 -0.05 0.00 0.00 0.00 0.00 61.98 60.70 1tbu s VAL 98 Cb -0.14 -2.11 -0.04 0.00 0.00 0.00 0.00 36.38 34.09 1tbu s VAL 98 CO 0.04 0.29 0.07 -0.44 0.00 0.00 0.00 175.10 175.07 1tbu s SER 99 N 1.24 5.82 -0.14 3.32 0.01 -0.19 -0.99 113.70 122.77 1tbu s SER 99 Ca -0.00 0.26 -0.01 0.00 1.31 0.00 0.00 55.95 57.51 1tbu s SER 99 Cb -0.16 -1.84 -0.02 0.00 0.21 0.00 0.00 66.02 64.21 1tbu s SER 99 CO -0.09 0.34 -0.10 0.00 0.41 0.00 0.00 173.24 173.81 1tbu s ALA 100 N -0.63 2.76 0.12 1.44 0.00 0.85 -0.82 121.76 125.48 1tbu s ALA 100 Ca 0.12 -0.86 0.07 0.00 0.00 0.00 0.00 51.96 51.29 1tbu s ALA 100 Cb -0.12 -1.34 -0.04 0.00 0.00 0.00 0.00 23.12 21.62 1tbu s ALA 100 CO 0.02 0.24 -0.10 0.71 0.00 0.00 0.00 175.76 176.64 1tbu s TYR 101 N 0.35 2.72 -0.01 0.00 1.51 0.86 -0.35 117.35 122.42 1tbu s TYR 101 Ca -0.09 -0.17 -0.02 0.00 -1.01 0.00 0.00 57.07 55.79 1tbu s TYR 101 Cb -0.15 -1.41 0.00 0.00 -0.11 0.00 0.00 41.96 40.29 1tbu s TYR 101 CO 0.05 0.44 0.05 -0.65 -1.11 0.00 0.00 175.55 174.33 1tbu s GLN 102 N -2.32 0.13 -1.61 -0.62 -0.21 -0.47 -2.20 119.66 112.37 1tbu s GLN 102 Ca 0.22 -0.06 -0.16 0.00 0.02 0.00 0.00 55.36 55.38 1tbu s GLN 102 Cb -0.11 0.06 0.12 0.00 1.00 0.00 0.00 33.01 34.08 1tbu s GLN 102 CO 0.14 -0.02 0.91 0.72 -2.12 0.00 0.00 175.29 174.92 1tbu n HIS 103 N 2.71 -2.07 -1.71 0.91 8.25 -1.26 -1.50 115.22 120.55 1tbu n HIS 103 Ca -0.15 0.86 -0.15 0.00 -0.26 0.00 0.00 57.72 58.03 1tbu n HIS 103 Cb 0.59 -3.54 -0.04 0.00 1.12 0.00 0.00 29.99 28.12 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 -2.75 -4.67 -4.07 0.41 8.00 -1.26 -4.99 116.55 107.22 1tbu n ASP 104 Ca 0.06 0.24 -0.20 0.00 0.71 0.00 0.00 54.79 55.59 1tbu n ASP 104 Cb 0.51 -3.58 -0.15 0.00 -0.02 0.00 0.00 41.12 37.88 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 -3.75 0.93 0.04 -1.24 1.02 -0.56 -5.12 119.74 111.07 1tbu s LYS 105 Ca 0.00 -0.42 -0.31 0.00 0.02 0.00 0.00 55.97 55.27 1tbu s LYS 105 Cb 0.00 -0.90 -0.07 0.00 -0.52 0.00 0.00 37.83 36.34 1tbu s LYS 105 CO 0.00 0.25 1.51 -1.17 -0.92 0.00 0.00 175.35 175.01 1tbu s LEU 106 N -0.28 4.34 -0.00 3.17 2.96 -1.26 -1.37 118.68 126.24 1tbu s LEU 106 Ca 0.04 2.29 0.06 0.00 -0.22 0.00 0.00 54.13 56.31 1tbu s LEU 106 Cb -0.04 -3.56 -0.08 0.00 0.50 0.00 0.00 46.19 43.00 1tbu s LEU 106 CO -0.00 -0.78 0.20 2.30 -1.32 0.00 0.00 176.35 176.74 1tbu n ILE 107 N 4.61 0.00 -3.64 6.68 -5.35 0.52 -4.57 119.36 117.61 1tbu n ILE 107 Ca 0.14 -0.25 -0.06 0.00 -0.27 0.00 0.00 62.75 62.30 1tbu n ILE 107 Cb 0.42 0.68 -0.07 0.00 -1.74 0.00 0.00 39.64 38.94 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 -2.00 -0.38 -0.04 4.28 5.36 -1.21 -1.39 117.98 122.59 1tbu s PHE 108 Ca 0.00 0.90 -0.05 0.00 -0.96 0.00 0.00 56.93 56.82 1tbu s PHE 108 Cb 0.04 0.38 0.01 0.00 -0.34 0.00 0.00 43.02 43.11 1tbu s PHE 108 CO 0.26 -0.19 0.14 -0.08 -1.46 0.00 0.00 175.22 173.89 1tbu s THR 109 N 0.36 0.02 -0.03 0.12 -1.32 -0.92 -0.10 115.64 113.77 1tbu s THR 109 Ca 0.02 -0.14 0.01 0.00 -1.21 0.00 0.00 61.69 60.37 1tbu s THR 109 Cb -0.05 -0.25 0.02 0.00 -1.51 0.00 0.00 72.50 70.72 1tbu s THR 109 CO -0.10 -0.08 -0.02 -0.55 -2.21 0.00 0.00 174.62 171.66 1tbu s SER 110 N -0.22 0.59 -0.22 8.08 0.15 -0.16 -0.64 113.70 121.28 1tbu s SER 110 Ca -0.03 -0.07 -0.11 0.00 0.70 0.00 0.00 55.95 56.44 1tbu s SER 110 Cb -0.02 -0.27 -0.05 0.00 -1.71 0.00 0.00 66.02 63.97 1tbu s SER 110 CO 0.00 -0.06 0.18 -0.32 1.20 0.00 0.00 173.24 174.24 1tbu s MET 111 N 0.79 4.11 -0.13 5.44 1.75 0.04 -0.03 119.30 131.27 1tbu s MET 111 Ca -0.09 -0.21 0.02 0.00 -1.25 0.00 0.00 55.69 54.17 1tbu s MET 111 Cb -0.12 -3.51 0.01 0.00 2.84 0.00 0.00 34.83 34.05 1tbu s MET 111 CO -0.01 0.12 -0.21 0.42 -0.65 0.00 0.00 175.02 174.69 1tbu s ILE 112 N 0.89 1.93 -0.14 10.11 1.01 0.01 -0.72 121.20 134.30 1tbu s ILE 112 Ca 0.09 -0.91 -0.05 0.00 0.00 0.00 0.00 60.65 59.78 1tbu s ILE 112 Cb -0.13 -1.71 -0.04 0.00 0.01 0.00 0.00 42.46 40.59 1tbu s ILE 112 CO 0.03 0.53 0.05 -0.76 0.00 0.00 0.00 174.94 174.79 1tbu s LEU 113 N 0.80 3.80 0.12 2.97 1.02 -0.50 -1.12 118.68 125.78 1tbu s LEU 113 Ca -0.08 0.16 0.08 0.00 0.02 0.00 0.00 54.13 54.31 1tbu s LEU 113 Cb -0.16 -1.92 -0.04 0.00 0.02 0.00 0.00 46.19 44.10 1tbu s LEU 113 CO -0.01 0.28 -0.20 -0.36 0.02 0.00 0.00 176.35 176.09 1tbu s PHE 114 N -0.30 1.78 0.08 0.29 0.40 0.89 -0.68 117.98 120.43 1tbu s PHE 114 Ca 0.08 -0.43 0.03 0.00 -0.60 0.00 0.00 56.93 56.00 1tbu s PHE 114 Cb -0.12 -0.95 -0.03 0.00 0.51 0.00 0.00 43.02 42.42 1tbu s PHE 114 CO 0.02 0.23 -0.08 0.00 0.70 0.00 0.00 175.22 176.08 1tbu s ALA 115 N -1.39 0.88 0.35 5.36 0.00 0.22 -1.62 121.76 125.57 1tbu s ALA 115 Ca 0.08 -1.08 -0.23 0.00 0.00 0.00 0.00 51.96 50.73 1tbu s ALA 115 Cb -0.09 0.07 -0.10 0.00 0.00 0.00 0.00 23.12 23.00 1tbu s ALA 115 CO 0.05 -0.08 0.92 0.54 0.00 0.00 0.00 175.76 177.18 1tbu s VAL 116 N -2.37 4.33 0.00 0.00 0.11 -0.76 -0.85 120.40 120.86 1tbu s VAL 116 Ca 0.02 1.61 0.00 0.00 -2.93 0.00 0.00 61.98 60.67 1tbu s VAL 116 Cb -0.03 -3.82 0.00 0.00 -1.53 0.00 0.00 36.38 30.99 1tbu s VAL 116 CO -0.01 -0.04 0.00 0.00 -3.33 0.00 0.00 175.10 171.72