#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 0.63 -0.18 5.41 -1.26 -4.86 119.36 119.10 1tbu n ILE 14 Ca 0.00 0.00 0.12 0.00 1.00 0.00 0.00 62.75 63.87 1tbu n ILE 14 Cb 0.00 0.00 0.16 0.00 -0.71 0.00 0.00 39.64 39.09 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 3.20 -4.59 1.39 4.32 -1.26 -4.88 117.00 115.19 1tbu n LEU 15 Ca 0.00 -1.26 -0.49 0.00 -0.02 0.00 0.00 56.01 54.25 1tbu n LEU 15 Cb 0.00 -0.13 -0.04 0.00 -1.62 0.00 0.00 43.42 41.63 1tbu n LEU 15 CO 0.00 0.62 0.74 1.21 -1.22 0.00 0.00 177.39 178.75 1tbu n GLU 16 N 1.40 1.23 -4.34 3.23 2.13 -1.26 -4.84 120.64 118.19 1tbu n GLU 16 Ca 0.16 0.44 -0.30 0.00 0.66 0.00 0.00 57.16 58.12 1tbu n GLU 16 Cb 0.59 -1.95 -0.11 0.00 0.27 0.00 0.00 31.44 30.24 1tbu n GLU 16 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1tbu s LEU 17 N 0.61 2.85 -0.26 4.31 1.43 -1.26 -2.65 118.68 123.71 1tbu s LEU 17 Ca 0.73 -0.44 -0.09 0.00 -1.03 0.00 0.00 54.13 53.30 1tbu s LEU 17 Cb -0.84 -1.68 -0.04 0.00 0.03 0.00 0.00 46.19 43.67 1tbu s LEU 17 CO 0.52 0.20 0.11 -0.69 0.23 0.00 0.00 176.35 176.72 1tbu s VAL 18 N -1.13 4.69 -0.02 -1.59 1.01 0.82 -4.86 120.40 119.32 1tbu s VAL 18 Ca 0.19 -0.04 -0.30 0.00 0.00 0.00 0.00 61.98 61.82 1tbu s VAL 18 Cb -0.11 -3.21 -0.05 0.00 0.00 0.00 0.00 36.38 33.02 1tbu s VAL 18 CO 0.11 0.32 1.39 -2.16 0.00 0.00 0.00 175.10 174.75 1tbu s PRO 19 N 1.58 4.28 0.08 2.72 0.04 -1.26 -1.16 135.00 141.29 1tbu s PRO 19 Ca 0.06 1.93 0.18 0.00 0.04 0.00 0.00 61.00 63.20 1tbu s PRO 19 Cb -0.15 -3.62 -0.12 0.00 0.04 0.00 0.00 34.50 30.66 1tbu s PRO 19 CO 0.06 -0.59 0.86 1.28 0.04 0.00 0.00 177.00 178.65 1tbu n LEU 20 N 5.58 0.87 0.00 -3.56 4.77 0.59 -4.96 117.00 120.29 1tbu n LEU 20 Ca 0.13 0.38 -0.04 0.00 -0.03 0.00 0.00 56.01 56.45 1tbu n LEU 20 Cb 0.44 0.05 0.02 0.00 -2.33 0.00 0.00 43.42 41.60 1tbu n LEU 20 CO 0.58 0.10 0.66 -1.54 -1.33 0.00 0.00 177.39 175.86 1tbu n SER 21 N -2.86 -1.71 0.29 -1.43 3.41 -1.07 -4.94 113.62 105.31 1tbu n SER 21 Ca -0.08 -2.00 0.16 0.00 -0.26 0.00 0.00 58.87 56.68 1tbu n SER 21 Cb 0.80 2.81 0.89 0.00 -0.26 0.00 0.00 64.21 68.45 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 -1.98 -3.20 132.00 131.26 1tbu h PRO 22 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1tbu h PRO 22 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1tbu h PRO 22 CO 0.34 0.04 -0.08 0.25 -0.21 0.00 0.00 178.00 178.35 1tbu n THR 23 N -3.62 1.35 -3.87 -1.15 -2.24 -1.26 -4.72 114.28 98.77 1tbu n THR 23 Ca -0.02 -1.59 -0.14 0.00 -2.27 0.00 0.00 64.05 60.03 1tbu n THR 23 Cb 0.14 0.06 -0.15 0.00 -2.10 0.00 0.00 70.33 68.29 1tbu n THR 23 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1tbu s SER 24 N -2.12 0.13 0.02 3.42 0.01 -1.21 -0.73 113.70 113.22 1tbu s SER 24 Ca 0.20 -0.00 -0.05 0.00 1.31 0.00 0.00 55.95 57.41 1tbu s SER 24 Cb 0.17 -0.05 -0.01 0.00 0.21 0.00 0.00 66.02 66.34 1tbu s SER 24 CO 0.02 -0.04 0.08 -0.36 0.41 0.00 0.00 173.24 173.35 1tbu s PHE 25 N 0.43 0.16 0.04 2.43 0.40 -0.24 -0.30 117.98 120.90 1tbu s PHE 25 Ca -0.04 -0.38 0.02 0.00 -0.60 0.00 0.00 56.93 55.94 1tbu s PHE 25 Cb -0.06 -0.12 -0.02 0.00 0.51 0.00 0.00 43.02 43.33 1tbu s PHE 25 CO -0.01 -0.30 -0.08 0.08 0.70 0.00 0.00 175.22 175.61 1tbu s VAL 26 N -1.94 0.56 0.37 -0.44 1.01 -0.31 0.14 120.40 119.79 1tbu s VAL 26 Ca -0.11 -0.95 -0.28 0.00 0.00 0.00 0.00 61.98 60.65 1tbu s VAL 26 Cb -0.05 -0.60 -0.11 0.00 0.00 0.00 0.00 36.38 35.62 1tbu s VAL 26 CO -0.02 -0.28 1.36 0.35 0.00 0.00 0.00 175.10 176.51 1tbu n THR 27 N 1.70 2.10 -0.02 3.92 -2.24 -0.78 -0.13 114.28 118.84 1tbu n THR 27 Ca -0.21 -0.50 -0.09 0.00 -2.27 0.00 0.00 64.05 60.98 1tbu n THR 27 Cb 0.55 -1.73 -0.07 0.00 -2.10 0.00 0.00 70.33 66.98 1tbu n THR 27 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1tbu h LYS 28 N 2.62 -0.08 -4.73 -0.78 3.64 -1.84 -3.44 116.57 111.96 1tbu h LYS 28 Ca -0.48 0.01 -0.63 0.00 -1.27 0.00 0.00 60.65 58.27 1tbu h LYS 28 Cb 1.27 0.02 -0.36 0.00 -0.41 0.00 0.00 32.23 32.74 1tbu h LYS 28 CO 0.63 0.42 -0.82 0.71 -2.27 0.00 0.00 179.45 178.11 1tbu s TYR 29 N -2.48 2.61 0.83 1.91 4.12 -1.26 -5.08 117.35 117.99 1tbu s TYR 29 Ca -0.11 -1.69 -0.15 0.00 0.02 0.00 0.00 57.07 55.14 1tbu s TYR 29 Cb -0.01 -1.74 -0.01 0.00 -1.52 0.00 0.00 41.96 38.68 1tbu s TYR 29 CO 0.41 -0.77 0.41 1.28 0.02 0.00 0.00 175.55 176.90 1tbu n LEU 30 N 4.64 0.06 0.00 -1.29 4.77 -1.26 -5.00 117.00 118.92 1tbu n LEU 30 Ca -0.16 0.47 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 1tbu n LEU 30 Cb 0.47 -1.19 0.00 0.00 -2.33 0.00 0.00 43.42 40.37 1tbu n LEU 30 CO 0.22 -3.47 0.00 0.61 -1.33 0.00 0.00 177.39 173.42 1tbu n GLY 39 N 1.68 0.00 2.50 -0.72 0.00 -1.26 -4.80 105.19 102.59 1tbu n GLY 39 Ca 0.08 0.01 -0.16 0.00 0.00 0.00 0.00 46.02 45.95 1tbu n GLY 39 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1tbu n THR 40 N 0.00 1.80 -0.30 2.61 -1.04 -1.26 -4.23 114.28 111.85 1tbu n THR 40 Ca 0.00 -3.84 0.20 0.00 -2.04 0.00 0.00 64.05 58.38 1tbu n THR 40 Cb 0.00 -0.17 0.49 0.00 -1.82 0.00 0.00 70.33 68.83 1tbu n THR 40 CO 0.00 0.00 0.00 0.15 -0.64 0.00 0.00 175.07 174.58 1tbu h PHE 41 N 2.61 0.66 -0.10 -1.42 3.57 -2.03 -3.26 116.94 116.98 1tbu h PHE 41 Ca 0.11 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.63 1tbu h PHE 41 Cb 1.20 -0.20 -0.00 0.00 2.79 0.00 0.00 35.95 39.74 1tbu h PHE 41 CO 0.67 0.11 0.05 0.78 -2.23 0.00 0.00 178.31 177.70 1tbu h GLY 42 N 0.44 0.15 1.81 2.40 0.00 -2.01 -1.57 103.07 104.30 1tbu h GLY 42 Ca 0.55 -0.07 -0.05 0.00 0.00 0.00 0.00 47.33 47.76 1tbu h GLY 42 CO -0.26 0.07 -0.12 -1.33 0.00 0.00 0.00 176.54 174.89 1tbu h GLY 43 N 0.07 0.26 0.91 4.60 0.00 -1.86 -1.76 103.07 105.28 1tbu h GLY 43 Ca 0.04 -0.15 -0.10 0.00 0.00 0.00 0.00 47.33 47.11 1tbu h GLY 43 CO -0.01 0.14 -0.21 -0.84 0.00 0.00 0.00 176.54 175.63 1tbu h THR 44 N 0.23 1.30 -0.73 4.70 2.02 -1.47 -0.70 112.91 118.26 1tbu h THR 44 Ca 0.05 -1.34 -0.03 0.00 0.77 0.00 0.00 66.41 65.85 1tbu h THR 44 Cb 0.36 1.57 -0.03 0.00 -1.74 0.00 0.00 68.15 68.31 1tbu h THR 44 CO 0.02 0.43 0.34 -0.07 0.37 0.00 0.00 175.52 176.61 1tbu h LEU 45 N 0.35 0.96 -0.22 2.58 3.38 -0.93 0.40 115.31 121.84 1tbu h LEU 45 Ca 0.05 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 1tbu h LEU 45 Cb 0.75 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1tbu h LEU 45 CO 0.05 0.83 -0.11 0.58 0.09 0.00 0.00 178.44 179.89 1tbu h VAL 46 N 1.02 1.31 -0.14 1.22 2.07 -1.33 -1.55 116.25 118.85 1tbu h VAL 46 Ca 0.25 -1.18 -0.00 0.00 0.82 0.00 0.00 66.70 66.59 1tbu h VAL 46 Cb 0.13 1.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 1tbu h VAL 46 CO -0.03 0.36 0.07 0.28 0.02 0.00 0.00 177.57 178.27 1tbu h SER 47 N 0.16 0.18 0.32 0.57 0.02 -0.91 -0.97 113.55 112.92 1tbu h SER 47 Ca 0.05 -0.10 -0.11 0.00 -0.84 0.00 0.00 61.79 60.79 1tbu h SER 47 Cb 0.60 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.08 1tbu h SER 47 CO 0.03 0.22 -0.47 1.56 -1.14 0.00 0.00 176.83 177.04 1tbu h GLN 48 N 0.12 0.18 -0.64 3.45 4.20 -0.96 -1.81 115.11 119.65 1tbu h GLN 48 Ca 0.05 -0.10 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 1tbu h GLN 48 Cb 0.09 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.84 1tbu h GLN 48 CO -0.01 0.62 0.36 0.77 -0.67 0.00 0.00 178.83 179.91 1tbu h SER 49 N 0.15 0.79 -0.08 1.46 0.02 -0.98 -0.66 113.55 114.24 1tbu h SER 49 Ca 0.01 -0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 60.86 1tbu h SER 49 Cb 0.89 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 63.23 1tbu h SER 49 CO 0.07 0.64 -0.01 0.25 -1.14 0.00 0.00 176.83 176.65 1tbu h LEU 50 N 0.87 0.15 -0.63 5.07 5.85 -0.99 -1.97 115.31 123.66 1tbu h LEU 50 Ca 0.23 -0.33 0.06 0.00 0.84 0.00 0.00 57.88 58.68 1tbu h LEU 50 Cb 0.02 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 40.95 1tbu h LEU 50 CO -0.04 0.44 0.34 -0.07 -0.34 0.00 0.00 178.44 178.77 1tbu h LEU 51 N -0.14 0.49 -0.47 2.25 3.38 -1.26 0.12 115.31 119.69 1tbu h LEU 51 Ca 0.02 0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.09 1tbu h LEU 51 Cb 0.37 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.01 1tbu h LEU 51 CO 0.01 0.32 0.17 0.00 0.09 0.00 0.00 178.44 179.02 1tbu h ALA 52 N 1.34 0.56 -0.28 1.53 0.00 -0.96 -2.45 119.26 119.00 1tbu h ALA 52 Ca 0.29 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.17 1tbu h ALA 52 Cb 0.20 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1tbu h ALA 52 CO -0.19 -0.22 -0.18 0.66 0.00 0.00 0.00 179.25 179.33 1tbu h SER 53 N 0.35 0.50 0.48 0.00 4.64 -0.66 -2.63 113.55 116.23 1tbu h SER 53 Ca 0.22 -0.15 -0.03 0.00 -0.47 0.00 0.00 61.79 61.36 1tbu h SER 53 Cb 0.21 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1tbu h SER 53 CO -0.22 0.70 -0.13 -0.07 -0.87 0.00 0.00 176.83 176.24 1tbu h LEU 54 N 0.46 0.00 0.00 5.97 3.38 -0.52 -1.35 115.31 123.25 1tbu h LEU 54 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1tbu h LEU 54 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1tbu h LEU 54 CO 0.04 0.13 0.00 1.41 0.09 0.00 0.00 178.44 180.11 1tbu n HIS 55 N -3.56 0.00 0.64 1.13 8.25 -0.99 -3.43 115.22 117.26 1tbu n HIS 55 Ca -0.01 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.52 1tbu n HIS 55 Cb 0.27 -0.33 0.06 0.00 1.12 0.00 0.00 29.99 31.11 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 -1.33 0.00 -4.31 1.59 -2.24 -0.51 -5.02 114.28 102.47 1tbu n THR 56 Ca 0.10 -0.50 -0.21 0.00 -2.27 0.00 0.00 64.05 61.17 1tbu n THR 56 Cb 0.20 1.32 -0.11 0.00 -2.10 0.00 0.00 70.33 69.63 1tbu n THR 56 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1tbu s VAL 57 N -1.28 1.69 0.88 2.28 -7.23 -1.22 -5.14 120.40 110.38 1tbu s VAL 57 Ca 0.18 -1.82 -0.10 0.00 -1.81 0.00 0.00 61.98 58.42 1tbu s VAL 57 Cb 0.13 -1.73 0.12 0.00 0.56 0.00 0.00 36.38 35.46 1tbu s VAL 57 CO 0.19 -0.30 1.13 -2.84 -0.31 0.00 0.00 175.10 172.97 1tbu s PRO 58 N -2.65 1.34 0.37 4.82 0.02 -1.26 -4.90 135.00 132.74 1tbu s PRO 58 Ca 0.13 1.41 0.12 0.00 0.02 0.00 0.00 61.00 62.68 1tbu s PRO 58 Cb -0.06 -1.77 0.93 0.00 0.02 0.00 0.00 34.50 33.61 1tbu s PRO 58 CO 0.05 -2.36 1.82 1.25 -0.33 0.00 0.00 177.00 177.43 1tbu h LEU 59 N -1.67 0.58 -2.66 -5.54 5.85 -2.00 -2.34 115.31 107.53 1tbu h LEU 59 Ca -0.44 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.35 1tbu h LEU 59 Cb 1.26 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.25 1tbu h LEU 59 CO 0.45 0.22 0.00 0.59 -0.34 0.00 0.00 178.44 179.36 1tbu n ASN 60 N -4.62 3.74 -4.50 1.25 3.02 -1.26 -4.66 115.26 108.22 1tbu n ASN 60 Ca 0.21 -1.99 -0.43 0.00 -0.03 0.00 0.00 54.58 52.34 1tbu n ASN 60 Cb 0.65 -0.41 -0.05 0.00 -0.61 0.00 0.00 39.78 39.36 1tbu n ASN 60 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1tbu s PHE 61 N -1.11 2.94 0.02 3.10 0.40 -0.88 -1.53 117.98 120.93 1tbu s PHE 61 Ca 0.44 -0.13 0.01 0.00 -0.60 0.00 0.00 56.93 56.64 1tbu s PHE 61 Cb 0.24 -3.74 -0.04 0.00 0.51 0.00 0.00 43.02 39.99 1tbu s PHE 61 CO 0.31 -1.12 0.09 -0.06 0.70 0.00 0.00 175.22 175.14 1tbu s PHE 62 N 3.29 3.28 0.19 0.36 0.40 -0.16 -4.82 117.98 120.53 1tbu s PHE 62 Ca 0.25 0.18 -0.31 0.00 -0.60 0.00 0.00 56.93 56.45 1tbu s PHE 62 Cb -0.15 -1.71 -0.10 0.00 0.51 0.00 0.00 43.02 41.57 1tbu s PHE 62 CO 0.18 0.55 1.53 -2.14 0.70 0.00 0.00 175.22 176.03 1tbu s PRO 63 N -1.98 4.23 -0.17 0.24 0.02 -1.26 -0.38 135.00 135.70 1tbu s PRO 63 Ca 0.26 2.35 0.08 0.00 0.02 0.00 0.00 61.00 63.71 1tbu s PRO 63 Cb -0.12 -3.14 -0.16 0.00 0.02 0.00 0.00 34.50 31.10 1tbu s PRO 63 CO 0.17 -0.55 -0.04 0.25 -0.33 0.00 0.00 177.00 176.50 1tbu n THR 64 N 3.40 1.07 -3.61 0.99 -2.24 0.11 -4.85 114.28 109.16 1tbu n THR 64 Ca 0.11 -0.55 -0.12 0.00 -2.27 0.00 0.00 64.05 61.22 1tbu n THR 64 Cb 0.39 -0.85 -0.05 0.00 -2.10 0.00 0.00 70.33 67.72 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 -5.29 -0.35 0.13 3.42 1.04 -1.17 -5.04 113.70 106.44 1tbu s SER 65 Ca -0.15 -0.02 0.04 0.00 0.48 0.00 0.00 55.95 56.30 1tbu s SER 65 Cb 0.05 0.47 -0.04 0.00 0.10 0.00 0.00 66.02 66.61 1tbu s SER 65 CO 0.55 -0.76 -0.10 -1.48 0.98 0.00 0.00 173.24 172.43 1tbu s LEU 66 N -2.25 2.48 -0.23 2.42 0.05 -1.26 -0.63 118.68 119.25 1tbu s LEU 66 Ca -0.03 -0.92 -0.03 0.00 0.05 0.00 0.00 54.13 53.20 1tbu s LEU 66 Cb -0.00 -0.35 0.11 0.00 -2.05 0.00 0.00 46.19 43.91 1tbu s LEU 66 CO -0.05 -0.29 0.28 -1.00 -0.55 0.00 0.00 176.35 174.74 1tbu s HIS 67 N -2.91 -0.48 -0.11 3.48 3.76 -0.21 -4.97 115.29 113.84 1tbu s HIS 67 Ca 0.12 0.34 0.02 0.00 -0.15 0.00 0.00 55.06 55.38 1tbu s HIS 67 Cb 0.00 -0.26 -0.01 0.00 1.11 0.00 0.00 32.58 33.42 1tbu s HIS 67 CO 0.00 -0.70 -0.17 -1.12 -0.85 0.00 0.00 174.74 171.91 1tbu s SER 68 N 2.40 3.73 -0.22 1.40 0.01 -1.26 -0.71 113.70 119.06 1tbu s SER 68 Ca 0.09 -0.38 -0.03 0.00 1.31 0.00 0.00 55.95 56.95 1tbu s SER 68 Cb -0.15 -1.40 0.00 0.00 0.21 0.00 0.00 66.02 64.68 1tbu s SER 68 CO -0.17 0.19 -0.07 -0.31 0.41 0.00 0.00 173.24 173.29 1tbu s TYR 69 N 0.17 2.95 -0.54 2.43 1.51 0.32 -5.00 117.35 119.19 1tbu s TYR 69 Ca -0.09 -1.20 -0.28 0.00 -1.01 0.00 0.00 57.07 54.49 1tbu s TYR 69 Cb -0.16 -2.06 0.03 0.00 -0.11 0.00 0.00 41.96 39.66 1tbu s TYR 69 CO 0.06 -0.64 1.23 -0.06 -1.11 0.00 0.00 175.55 175.03 1tbu s PHE 70 N 1.41 2.60 -0.20 2.71 0.40 -1.26 -2.46 117.98 121.18 1tbu s PHE 70 Ca 0.05 0.53 0.13 0.00 -0.60 0.00 0.00 56.93 57.03 1tbu s PHE 70 Cb -0.14 -4.47 -0.21 0.00 0.51 0.00 0.00 43.02 38.71 1tbu s PHE 70 CO -0.05 -1.59 -0.01 -0.89 0.70 0.00 0.00 175.22 173.38 1tbu n ILE 71 N 6.79 1.30 -3.60 0.64 5.41 -0.88 -5.00 119.36 124.01 1tbu n ILE 71 Ca 0.11 -0.72 -0.12 0.00 1.00 0.00 0.00 62.75 63.02 1tbu n ILE 71 Cb 0.49 -0.73 -0.06 0.00 -0.71 0.00 0.00 39.64 38.62 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 -2.46 0.70 0.51 0.38 2.20 -0.98 -4.97 119.74 115.13 1tbu s LYS 72 Ca -0.15 0.55 -0.23 0.00 -0.36 0.00 0.00 55.97 55.78 1tbu s LYS 72 Cb 0.06 0.34 -0.06 0.00 -1.51 0.00 0.00 37.83 36.66 1tbu s LYS 72 CO 0.70 -0.14 1.40 0.20 -0.36 0.00 0.00 175.35 177.15 1tbu s GLY 73 N -0.25 2.90 0.00 5.54 0.00 -1.26 -4.73 107.32 109.51 1tbu s GLY 73 Ca -0.01 1.41 0.00 0.00 0.00 0.00 0.00 44.72 46.12 1tbu s GLY 73 CO 0.00 1.97 0.00 0.61 0.00 0.00 0.00 173.10 175.68 1tbu n GLY 74 N 0.68 0.21 0.00 0.20 0.00 -1.26 -5.02 105.19 99.99 1tbu n GLY 74 Ca 0.09 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.24 1tbu n GLY 74 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1tbu n ASP 75 N -2.90 1.41 0.00 1.61 -0.08 -1.26 -4.99 116.55 110.34 1tbu n ASP 75 Ca 0.00 -1.53 0.00 0.00 -1.51 0.00 0.00 54.79 51.75 1tbu n ASP 75 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1tbu n ASP 75 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 1tbu n PRO 76 N -0.26 0.00 0.00 -0.67 -0.01 -1.26 -3.86 135.00 128.93 1tbu n PRO 76 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.49 1tbu n PRO 76 Cb 0.18 0.00 0.00 0.00 -0.01 0.00 0.00 33.50 33.67 1tbu n PRO 76 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 175.50 176.03 1tbu n ARG 77 N 0.00 -0.50 -4.40 -0.52 1.74 -1.26 -4.93 116.66 106.79 1tbu n ARG 77 Ca 0.00 -0.36 -0.20 0.00 -0.77 0.00 0.00 57.85 56.52 1tbu n ARG 77 Cb 0.00 -0.82 -0.14 0.00 -1.02 0.00 0.00 32.46 30.48 1tbu n ARG 77 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1tbu s THR 78 N -0.03 1.01 0.00 0.55 -4.23 -1.25 -5.10 115.64 106.59 1tbu s THR 78 Ca 0.00 -0.82 0.00 0.00 -1.18 0.00 0.00 61.69 59.69 1tbu s THR 78 Cb 0.00 -0.90 0.00 0.00 1.34 0.00 0.00 72.50 72.94 1tbu s THR 78 CO 0.00 0.08 0.00 0.29 -0.54 0.00 0.00 174.62 174.45 1tbu n LYS 79 N 2.20 0.00 -4.76 3.99 5.02 -1.26 -4.80 118.16 118.55 1tbu n LYS 79 Ca -0.17 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 55.79 1tbu n LYS 79 Cb 0.55 0.00 -0.15 0.00 -0.02 0.00 0.00 35.03 35.42 1tbu n LYS 79 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1tbu s ILE 80 N 0.00 2.97 -0.22 -0.18 1.01 -1.26 -4.57 121.20 118.95 1tbu s ILE 80 Ca 0.00 -0.69 -0.06 0.00 0.00 0.00 0.00 60.65 59.90 1tbu s ILE 80 Cb 0.00 -2.25 -0.03 0.00 0.01 0.00 0.00 42.46 40.19 1tbu s ILE 80 CO 0.00 0.52 0.04 -0.89 0.00 0.00 0.00 174.94 174.62 1tbu s THR 81 N 0.42 4.26 -0.18 2.92 2.01 -0.09 -1.87 115.64 123.11 1tbu s THR 81 Ca -0.10 -0.20 -0.07 0.00 0.31 0.00 0.00 61.69 61.63 1tbu s THR 81 Cb -0.16 -2.96 -0.04 0.00 0.01 0.00 0.00 72.50 69.36 1tbu s THR 81 CO 0.05 0.39 0.05 -0.31 -0.69 0.00 0.00 174.62 174.12 1tbu s TYR 82 N 1.15 3.23 -0.13 4.92 1.51 0.12 -1.13 117.35 127.02 1tbu s TYR 82 Ca 0.04 0.04 -0.01 0.00 -1.01 0.00 0.00 57.07 56.12 1tbu s TYR 82 Cb -0.14 -2.06 -0.02 0.00 -0.11 0.00 0.00 41.96 39.62 1tbu s TYR 82 CO 0.03 0.14 -0.10 -1.01 -1.11 0.00 0.00 175.55 173.50 1tbu s HIS 83 N 0.35 2.89 -0.22 2.71 3.76 -0.28 -1.08 115.29 123.43 1tbu s HIS 83 Ca 0.02 -0.47 -0.07 0.00 -0.15 0.00 0.00 55.06 54.39 1tbu s HIS 83 Cb -0.12 -1.87 -0.03 0.00 1.11 0.00 0.00 32.58 31.66 1tbu s HIS 83 CO 0.00 -0.11 0.06 0.08 -0.85 0.00 0.00 174.74 173.92 1tbu s VAL 84 N 0.26 4.44 -0.03 -0.90 1.01 0.09 -1.51 120.40 123.77 1tbu s VAL 84 Ca -0.07 -0.14 0.07 0.00 0.00 0.00 0.00 61.98 61.84 1tbu s VAL 84 Cb -0.15 -3.03 -0.02 0.00 0.00 0.00 0.00 36.38 33.18 1tbu s VAL 84 CO 0.04 0.40 -0.24 -1.58 0.00 0.00 0.00 175.10 173.72 1tbu s GLN 85 N 1.04 2.06 -0.34 2.72 0.74 0.12 -4.84 119.66 121.16 1tbu s GLN 85 Ca 0.04 -0.85 -0.23 0.00 0.05 0.00 0.00 55.36 54.37 1tbu s GLN 85 Cb -0.14 -1.91 0.01 0.00 1.10 0.00 0.00 33.01 32.06 1tbu s GLN 85 CO 0.03 0.46 0.78 1.21 -0.55 0.00 0.00 175.29 177.22 1tbu s ASN 86 N -0.42 6.59 -0.14 6.67 2.47 -1.26 -0.81 114.94 128.03 1tbu s ASN 86 Ca 0.05 0.46 -0.08 0.00 0.42 0.00 0.00 52.86 53.72 1tbu s ASN 86 Cb -0.10 -2.40 -0.24 0.00 -1.45 0.00 0.00 41.25 37.05 1tbu s ASN 86 CO 0.00 -0.68 0.29 0.18 -3.72 0.00 0.00 177.10 173.17 1tbu n LEU 87 N 6.33 2.58 -3.59 3.21 4.77 -0.14 -4.96 117.00 125.20 1tbu n LEU 87 Ca 0.03 0.21 -0.15 0.00 -0.03 0.00 0.00 56.01 56.07 1tbu n LEU 87 Cb 0.48 -1.08 -0.06 0.00 -2.33 0.00 0.00 43.42 40.42 1tbu n LEU 87 CO 0.52 0.80 0.50 -0.60 -1.33 0.00 0.00 177.39 177.28 1tbu s ARG 88 N -2.53 0.86 -0.02 3.23 3.52 -1.17 -5.01 118.95 117.82 1tbu s ARG 88 Ca -0.24 0.61 0.08 0.00 -0.13 0.00 0.00 55.73 56.04 1tbu s ARG 88 Cb 0.07 0.41 -0.02 0.00 -1.56 0.00 0.00 34.95 33.85 1tbu s ARG 88 CO 0.73 -0.19 -0.25 -0.80 -0.81 0.00 0.00 175.30 173.99 1tbu s ASN 89 N -0.34 3.16 0.45 -2.12 -0.87 -1.26 -1.47 114.94 112.48 1tbu s ASN 89 Ca -0.04 -0.45 0.03 0.00 -1.57 0.00 0.00 52.86 50.83 1tbu s ASN 89 Cb -0.03 -0.38 -0.01 0.00 -0.02 0.00 0.00 41.25 40.80 1tbu s ASN 89 CO 0.03 0.32 0.11 -0.83 -2.57 0.00 0.00 177.10 174.17 1tbu s GLY 90 N -0.68 2.81 0.19 0.66 0.00 -0.83 -5.01 107.32 104.45 1tbu s GLY 90 Ca 0.10 -0.89 -0.19 0.00 0.00 0.00 0.00 44.72 43.74 1tbu s GLY 90 CO -0.01 -1.92 1.60 3.21 0.00 0.00 0.00 173.10 175.99 1tbu h ARG 91 N 1.62 -0.14 -0.00 2.90 3.08 -2.03 -3.15 114.38 116.67 1tbu h ARG 91 Ca -0.36 0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.70 1tbu h ARG 91 Cb 1.29 0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.37 1tbu h ARG 91 CO 0.58 -0.09 -0.67 0.09 -1.07 0.00 0.00 179.97 178.81 1tbu n ASN 92 N -5.43 0.96 -4.12 7.04 3.02 -1.26 -4.97 115.26 110.50 1tbu n ASN 92 Ca 0.04 -0.98 -0.13 0.00 -0.03 0.00 0.00 54.58 53.48 1tbu n ASN 92 Cb 0.34 0.88 -0.11 0.00 -0.61 0.00 0.00 39.78 40.28 1tbu n ASN 92 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 1tbu s PHE 93 N -2.39 0.86 -0.05 3.10 -0.12 -1.19 -1.65 117.98 116.53 1tbu s PHE 93 Ca 0.08 -0.64 0.03 0.00 -0.05 0.00 0.00 56.93 56.35 1tbu s PHE 93 Cb 0.12 -0.49 0.01 0.00 -0.63 0.00 0.00 43.02 42.03 1tbu s PHE 93 CO 0.61 -0.07 -0.12 0.42 -0.05 0.00 0.00 175.22 176.00 1tbu s ILE 94 N -2.21 1.09 -0.23 -4.49 1.01 -0.67 -1.96 121.20 113.74 1tbu s ILE 94 Ca -0.00 -0.50 -0.01 0.00 0.00 0.00 0.00 60.65 60.14 1tbu s ILE 94 Cb -0.04 -0.97 0.02 0.00 0.01 0.00 0.00 42.46 41.48 1tbu s ILE 94 CO -0.01 0.33 -0.09 -1.00 0.00 0.00 0.00 174.94 174.17 1tbu s HIS 95 N 0.35 3.00 0.03 3.97 3.76 -0.55 -0.87 115.29 124.99 1tbu s HIS 95 Ca -0.08 -1.55 0.02 0.00 -0.15 0.00 0.00 55.06 53.31 1tbu s HIS 95 Cb -0.12 -2.03 -0.04 0.00 1.11 0.00 0.00 32.58 31.50 1tbu s HIS 95 CO 0.02 -0.73 0.02 0.15 -0.85 0.00 0.00 174.74 173.35 1tbu s LYS 96 N 1.32 2.77 -0.21 1.40 -0.14 0.06 -0.96 119.74 123.98 1tbu s LYS 96 Ca 0.01 -0.66 -0.05 0.00 -1.36 0.00 0.00 55.97 53.92 1tbu s LYS 96 Cb -0.16 -2.66 -0.02 0.00 -1.68 0.00 0.00 37.83 33.31 1tbu s LYS 96 CO -0.06 0.60 -0.01 -1.14 -0.76 0.00 0.00 175.35 173.98 1tbu s GLN 97 N -1.84 3.56 -0.22 1.68 0.74 0.01 -0.86 119.66 122.73 1tbu s GLN 97 Ca 0.22 -0.55 -0.05 0.00 0.05 0.00 0.00 55.36 55.04 1tbu s GLN 97 Cb -0.12 -3.07 -0.02 0.00 1.10 0.00 0.00 33.01 30.90 1tbu s GLN 97 CO 0.14 -0.05 0.00 0.08 -0.55 0.00 0.00 175.29 174.91 1tbu s VAL 98 N 1.15 3.83 -0.13 1.34 1.01 0.52 -0.71 120.40 127.40 1tbu s VAL 98 Ca 0.03 -0.35 -0.01 0.00 0.00 0.00 0.00 61.98 61.65 1tbu s VAL 98 Cb -0.14 -2.75 -0.02 0.00 0.00 0.00 0.00 36.38 33.47 1tbu s VAL 98 CO 0.01 0.41 -0.10 -0.44 0.00 0.00 0.00 175.10 174.97 1tbu s SER 99 N 1.31 4.25 -0.11 3.32 0.01 -0.57 -0.40 113.70 121.52 1tbu s SER 99 Ca 0.04 -0.26 -0.04 0.00 1.31 0.00 0.00 55.95 57.00 1tbu s SER 99 Cb -0.15 -1.63 -0.04 0.00 0.21 0.00 0.00 66.02 64.42 1tbu s SER 99 CO 0.01 0.18 0.03 0.00 0.41 0.00 0.00 173.24 173.86 1tbu s ALA 100 N 0.30 3.40 0.08 1.44 0.00 0.31 -1.13 121.76 126.17 1tbu s ALA 100 Ca -0.08 -0.77 0.04 0.00 0.00 0.00 0.00 51.96 51.16 1tbu s ALA 100 Cb -0.15 -1.63 -0.03 0.00 0.00 0.00 0.00 23.12 21.30 1tbu s ALA 100 CO 0.05 0.52 -0.12 0.71 0.00 0.00 0.00 175.76 176.92 1tbu s TYR 101 N -0.68 1.12 -0.08 0.00 1.51 -0.28 -0.84 117.35 118.10 1tbu s TYR 101 Ca 0.11 -0.53 -0.03 0.00 -1.01 0.00 0.00 57.07 55.61 1tbu s TYR 101 Cb -0.12 -0.62 0.04 0.00 -0.11 0.00 0.00 41.96 41.15 1tbu s TYR 101 CO 0.02 0.03 0.17 -0.65 -1.11 0.00 0.00 175.55 174.01 1tbu s GLN 102 N -2.12 0.10 -1.49 -0.62 -0.21 -0.99 -0.91 119.66 113.42 1tbu s GLN 102 Ca 0.00 0.44 -0.06 0.00 0.02 0.00 0.00 55.36 55.76 1tbu s GLN 102 Cb -0.07 -0.18 0.02 0.00 1.00 0.00 0.00 33.01 33.78 1tbu s GLN 102 CO 0.01 -0.19 0.63 0.72 -2.12 0.00 0.00 175.29 174.34 1tbu n HIS 103 N 4.41 -2.00 -1.09 0.91 8.25 -1.26 -1.17 115.22 123.26 1tbu n HIS 103 Ca -0.23 0.55 -0.03 0.00 -0.26 0.00 0.00 57.72 57.75 1tbu n HIS 103 Cb 0.51 -4.20 -0.01 0.00 1.12 0.00 0.00 29.99 27.41 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 -2.51 -5.79 -4.73 0.41 8.00 -1.26 -5.00 116.55 105.66 1tbu n ASP 104 Ca -0.08 0.08 -0.35 0.00 0.71 0.00 0.00 54.79 55.14 1tbu n ASP 104 Cb 0.60 -3.57 -0.08 0.00 -0.02 0.00 0.00 41.12 38.04 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 -2.19 3.56 -0.03 -1.24 3.01 -0.32 -5.07 119.74 117.46 1tbu s LYS 105 Ca 0.00 -0.28 -0.30 0.00 -1.01 0.00 0.00 55.97 54.38 1tbu s LYS 105 Cb 0.00 -3.11 -0.07 0.00 -1.01 0.00 0.00 37.83 33.64 1tbu s LYS 105 CO 0.00 0.55 1.90 -1.17 0.51 0.00 0.00 175.35 177.14 1tbu s LEU 106 N -0.41 4.28 -0.00 3.17 2.96 -1.26 -2.35 118.68 125.07 1tbu s LEU 106 Ca 0.10 2.43 0.12 0.00 -0.22 0.00 0.00 54.13 56.56 1tbu s LEU 106 Cb -0.12 -3.53 -0.14 0.00 0.50 0.00 0.00 46.19 42.90 1tbu s LEU 106 CO 0.02 -1.13 0.48 2.30 -1.32 0.00 0.00 176.35 176.70 1tbu n ILE 107 N 5.81 0.00 -3.64 6.68 -5.35 -0.02 -4.61 119.36 118.22 1tbu n ILE 107 Ca 0.20 -0.23 -0.05 0.00 -0.27 0.00 0.00 62.75 62.41 1tbu n ILE 107 Cb 0.42 0.87 -0.07 0.00 -1.74 0.00 0.00 39.64 39.12 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 -2.27 -0.22 0.05 4.28 5.36 -1.21 -2.08 117.98 121.89 1tbu s PHE 108 Ca 0.03 0.53 0.02 0.00 -0.96 0.00 0.00 56.93 56.56 1tbu s PHE 108 Cb 0.09 0.41 -0.03 0.00 -0.34 0.00 0.00 43.02 43.15 1tbu s PHE 108 CO 0.50 -0.11 -0.08 0.95 -1.46 0.00 0.00 175.22 175.02 1tbu s THR 109 N 0.23 0.60 0.06 0.12 -4.23 -1.03 -0.53 115.64 110.86 1tbu s THR 109 Ca 0.04 -1.16 0.05 0.00 -1.18 0.00 0.00 61.69 59.44 1tbu s THR 109 Cb -0.05 -0.72 -0.03 0.00 1.34 0.00 0.00 72.50 73.05 1tbu s THR 109 CO -0.12 -0.40 -0.13 -0.44 -0.54 0.00 0.00 174.62 172.99 1tbu s SER 110 N -1.69 1.52 -0.29 3.99 0.01 0.47 -0.52 113.70 117.19 1tbu s SER 110 Ca -0.08 -0.55 -0.10 0.00 1.31 0.00 0.00 55.95 56.54 1tbu s SER 110 Cb -0.09 -0.05 -0.03 0.00 0.21 0.00 0.00 66.02 66.06 1tbu s SER 110 CO 0.00 -0.06 0.16 -0.04 0.41 0.00 0.00 173.24 173.71 1tbu s MET 111 N -1.50 3.70 -0.15 12.44 -1.94 0.12 -0.36 119.30 131.60 1tbu s MET 111 Ca -0.02 -0.48 0.01 0.00 -1.71 0.00 0.00 55.69 53.49 1tbu s MET 111 Cb -0.09 -3.58 0.00 0.00 2.01 0.00 0.00 34.83 33.18 1tbu s MET 111 CO 0.02 -0.26 -0.17 0.42 -0.01 0.00 0.00 175.02 175.01 1tbu s ILE 112 N 1.69 2.48 -0.11 2.53 1.01 -0.04 -1.05 121.20 127.71 1tbu s ILE 112 Ca 0.06 -0.83 -0.03 0.00 0.00 0.00 0.00 60.65 59.85 1tbu s ILE 112 Cb -0.16 -2.03 -0.03 0.00 0.01 0.00 0.00 42.46 40.24 1tbu s ILE 112 CO 0.08 0.52 0.00 -0.76 0.00 0.00 0.00 174.94 174.79 1tbu s LEU 113 N 0.83 3.54 0.07 2.97 1.43 0.20 -0.76 118.68 126.97 1tbu s LEU 113 Ca -0.05 0.08 0.07 0.00 -1.03 0.00 0.00 54.13 53.20 1tbu s LEU 113 Cb -0.15 -1.83 -0.03 0.00 0.03 0.00 0.00 46.19 44.21 1tbu s LEU 113 CO -0.01 0.31 -0.20 -0.36 0.23 0.00 0.00 176.35 176.32 1tbu s PHE 114 N -0.48 1.73 0.04 0.29 0.40 -0.05 0.09 117.98 120.01 1tbu s PHE 114 Ca 0.08 -0.40 0.06 0.00 -0.60 0.00 0.00 56.93 56.07 1tbu s PHE 114 Cb -0.12 -0.99 -0.02 0.00 0.51 0.00 0.00 43.02 42.40 1tbu s PHE 114 CO 0.02 0.14 -0.16 0.00 0.70 0.00 0.00 175.22 175.92 1tbu s ALA 115 N -0.99 1.35 0.16 5.36 0.00 0.49 -1.67 121.76 126.46 1tbu s ALA 115 Ca 0.06 -0.91 -0.30 0.00 0.00 0.00 0.00 51.96 50.81 1tbu s ALA 115 Cb -0.09 -0.22 -0.07 0.00 0.00 0.00 0.00 23.12 22.73 1tbu s ALA 115 CO 0.03 0.27 1.19 0.08 0.00 0.00 0.00 175.76 177.32 1tbu s VAL 116 N -0.87 3.70 -0.03 0.00 1.01 -0.66 -0.98 120.40 122.55 1tbu s VAL 116 Ca 0.03 1.38 -0.03 0.00 0.00 0.00 0.00 61.98 63.36 1tbu s VAL 116 Cb -0.08 -3.88 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 1tbu s VAL 116 CO 0.02 0.20 0.14 -1.10 0.00 0.00 0.00 175.10 174.36 1tbu s GLN 117 N 0.02 3.33 0.00 2.72 -0.21 -0.58 -4.97 119.66 119.97 1tbu s GLN 117 Ca 0.54 -0.33 0.00 0.00 0.02 0.00 0.00 55.36 55.59 1tbu s GLN 117 Cb -0.32 -3.04 0.00 0.00 1.00 0.00 0.00 33.01 30.65 1tbu s GLN 117 CO 0.35 0.69 0.40 0.54 -2.12 0.00 0.00 175.29 175.15