#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b4q n GLN 2 N 0.00 0.00 0.00 0.00 1.13 -1.26 -3.93 117.38 113.32 1b4q n GLN 2 Ca 0.00 0.29 0.01 0.00 -1.94 0.00 0.00 57.00 55.36 1b4q n GLN 2 Cb 0.00 -0.77 0.03 0.00 0.11 0.00 0.00 30.24 29.61 1b4q n GLN 2 CO 0.00 0.00 0.00 -0.85 -1.44 0.00 0.00 177.06 174.77 1b4q n GLU 3 N -1.65 0.01 0.00 -1.09 0.28 -1.26 -3.04 120.64 113.89 1b4q n GLU 3 Ca 0.00 0.32 0.00 0.00 -0.16 0.00 0.00 57.16 57.32 1b4q n GLU 3 Cb 0.00 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.37 1b4q n GLU 3 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 1b4q n PHE 4 N -1.34 0.00 -0.00 -1.84 3.01 -1.25 -1.48 117.46 114.55 1b4q n PHE 4 Ca 0.01 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.32 1b4q n PHE 4 Cb 0.01 -0.27 -0.04 0.00 -0.01 0.00 0.00 39.48 39.18 1b4q n PHE 4 CO 0.00 0.00 0.00 -0.39 1.01 0.00 0.00 176.76 177.38 1b4q h VAL 5 N 0.00 1.31 -0.72 -4.37 -1.51 -1.73 -3.09 116.25 106.13 1b4q h VAL 5 Ca 0.00 -2.00 0.10 0.00 -1.23 0.00 0.00 66.70 63.57 1b4q h VAL 5 Cb 0.00 1.99 -0.05 0.00 -2.13 0.00 0.00 31.29 31.10 1b4q h VAL 5 CO 0.00 0.63 0.48 0.78 -1.23 0.00 0.00 177.57 178.22 1b4q h ASN 6 N 0.47 0.52 0.97 4.19 2.35 -1.66 0.44 115.58 122.86 1b4q h ASN 6 Ca -0.04 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 1b4q h ASN 6 Cb 1.36 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 39.63 1b4q h ASN 6 CO 0.15 0.31 0.00 -1.20 -1.65 0.00 0.00 177.43 175.03 1b4q n SER 7 N -4.49 0.48 -0.10 5.81 7.64 -0.55 -3.59 113.62 118.83 1b4q n SER 7 Ca 0.12 0.58 -0.20 0.00 1.01 0.00 0.00 58.87 60.38 1b4q n SER 7 Cb 0.37 -0.70 -0.12 0.00 -1.01 0.00 0.00 64.21 62.75 1b4q n SER 7 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1b4q n LYS 8 N -1.99 0.67 -2.72 1.43 5.02 0.14 -4.93 118.16 115.78 1b4q n LYS 8 Ca 0.04 0.20 -0.40 0.00 -2.02 0.00 0.00 58.31 56.14 1b4q n LYS 8 Cb 0.30 -1.57 -0.06 0.00 -0.02 0.00 0.00 35.03 33.68 1b4q n LYS 8 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 1b4q s ILE 9 N -2.52 4.01 -0.14 -0.18 -4.36 -0.19 -4.91 121.20 112.90 1b4q s ILE 9 Ca -0.32 1.98 -0.11 0.00 -0.26 0.00 0.00 60.65 61.93 1b4q s ILE 9 Cb 0.09 -4.24 0.04 0.00 1.25 0.00 0.00 42.46 39.60 1b4q s ILE 9 CO 0.63 0.44 0.36 -1.58 0.24 0.00 0.00 174.94 175.03 1b4q s GLN 10 N -1.33 0.40 0.19 0.37 2.00 -1.26 -4.89 119.66 115.15 1b4q s GLN 10 Ca 0.43 0.57 -0.33 0.00 -2.00 0.00 0.00 55.36 54.03 1b4q s GLN 10 Cb -0.26 0.12 -0.14 0.00 0.80 0.00 0.00 33.01 33.53 1b4q s GLN 10 CO 0.32 -0.08 1.38 -2.30 -0.50 0.00 0.00 175.29 174.10 1b4q n PRO 11 N 3.31 1.77 -1.01 1.67 -0.02 -1.26 -0.55 135.00 138.91 1b4q n PRO 11 Ca -0.16 0.63 -0.00 0.00 -2.02 0.00 0.00 63.50 61.95 1b4q n PRO 11 Cb 0.57 -2.27 -0.00 0.00 -0.02 0.00 0.00 33.50 31.77 1b4q n PRO 11 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1b4q n GLY 12 N 2.39 0.42 2.87 -1.23 0.00 -1.26 -4.96 105.19 103.43 1b4q n GLY 12 Ca 0.14 -0.91 -0.15 0.00 0.00 0.00 0.00 46.02 45.09 1b4q n GLY 12 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1b4q s LYS 13 N -1.72 0.25 -0.16 1.61 2.20 0.28 -4.63 119.74 117.58 1b4q s LYS 13 Ca 0.00 -0.02 -0.08 0.00 -0.36 0.00 0.00 55.97 55.52 1b4q s LYS 13 Cb 0.00 -0.33 -0.04 0.00 -1.51 0.00 0.00 37.83 35.94 1b4q s LYS 13 CO 0.00 -0.03 0.10 0.08 -0.36 0.00 0.00 175.35 175.14 1b4q s VAL 14 N 0.44 5.19 -0.02 4.02 1.01 -0.86 -1.52 120.40 128.65 1b4q s VAL 14 Ca -0.04 0.10 -0.02 0.00 0.00 0.00 0.00 61.98 62.02 1b4q s VAL 14 Cb -0.07 -3.31 0.01 0.00 0.00 0.00 0.00 36.38 33.00 1b4q s VAL 14 CO -0.01 0.52 0.07 0.54 0.00 0.00 0.00 175.10 176.21 1b4q s VAL 15 N -0.20 0.01 -0.10 2.92 0.11 -1.23 -2.87 120.40 119.04 1b4q s VAL 15 Ca 0.09 -0.06 0.02 0.00 -2.93 0.00 0.00 61.98 59.11 1b4q s VAL 15 Cb -0.12 -0.12 0.01 0.00 -1.53 0.00 0.00 36.38 34.63 1b4q s VAL 15 CO 0.01 -0.03 -0.17 -0.69 -3.33 0.00 0.00 175.10 170.89 1b4q s VAL 16 N -0.07 1.56 -0.25 2.04 1.01 -1.12 -2.15 120.40 121.43 1b4q s VAL 16 Ca -0.01 -0.71 -0.17 0.00 0.00 0.00 0.00 61.98 61.09 1b4q s VAL 16 Cb -0.01 -1.40 -0.03 0.00 0.00 0.00 0.00 36.38 34.94 1b4q s VAL 16 CO 0.00 0.45 0.46 -0.36 0.00 0.00 0.00 175.10 175.65 1b4q s PHE 17 N 0.72 3.29 0.17 5.22 0.40 -0.96 0.21 117.98 127.03 1b4q s PHE 17 Ca -0.12 0.59 0.02 0.00 -0.60 0.00 0.00 56.93 56.82 1b4q s PHE 17 Cb -0.16 -2.64 -0.01 0.00 0.51 0.00 0.00 43.02 40.72 1b4q s PHE 17 CO 0.03 -0.20 0.07 0.44 0.70 0.00 0.00 175.22 176.25 1b4q n ILE 18 N 4.94 0.00 -3.39 0.64 -5.35 0.01 -2.12 119.36 114.10 1b4q n ILE 18 Ca -0.06 -1.00 -0.19 0.00 -0.27 0.00 0.00 62.75 61.22 1b4q n ILE 18 Cb 0.50 0.37 -0.09 0.00 -1.74 0.00 0.00 39.64 38.69 1b4q n ILE 18 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 1b4q s LYS 19 N -2.65 0.59 -0.54 6.28 1.02 -1.26 -2.61 119.74 120.57 1b4q s LYS 19 Ca 0.09 -0.89 -0.11 0.00 0.02 0.00 0.00 55.97 55.09 1b4q s LYS 19 Cb 0.00 -0.84 -0.14 0.00 -0.52 0.00 0.00 37.83 36.34 1b4q s LYS 19 CO 0.07 -1.18 1.65 -2.30 -0.92 0.00 0.00 175.35 172.66 1b4q n PRO 20 N 4.30 0.08 0.00 -1.68 -0.02 -1.26 -2.22 135.00 134.20 1b4q n PRO 20 Ca 0.10 -0.46 0.00 0.00 -2.02 0.00 0.00 63.50 61.12 1b4q n PRO 20 Cb 0.44 -1.92 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 1b4q n PRO 20 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1b4q n THR 21 N 6.17 0.00 -3.61 3.45 -1.04 -1.26 -5.11 114.28 112.87 1b4q n THR 21 Ca 0.29 0.00 -0.37 0.00 -2.04 0.00 0.00 64.05 61.93 1b4q n THR 21 Cb 0.41 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 68.83 1b4q n THR 21 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1b4q h PRO 23 N 7.38 0.00 -0.27 0.00 0.11 -1.99 -2.45 132.00 134.78 1b4q h PRO 23 Ca -0.38 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.61 1b4q h PRO 23 Cb 1.17 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 1b4q h PRO 23 CO 0.68 0.00 -0.28 1.88 -0.21 0.00 0.00 178.00 180.07 1b4q h TYR 24 N 0.00 0.81 -0.27 0.65 -1.99 -1.93 -1.73 116.97 112.50 1b4q h TYR 24 Ca 0.00 -0.25 -0.07 0.00 2.00 0.00 0.00 58.73 60.41 1b4q h TYR 24 Cb 0.17 -0.17 -0.02 0.00 2.00 0.00 0.00 36.73 38.72 1b4q h TYR 24 CO 0.00 0.98 -0.15 0.77 -0.00 0.00 0.00 178.16 179.76 1b4q h SER 25 N 0.40 0.46 -0.65 3.88 0.02 -1.64 -2.24 113.55 113.78 1b4q h SER 25 Ca 0.04 -0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 60.85 1b4q h SER 25 Cb 0.85 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 63.24 1b4q h SER 25 CO 0.07 0.64 0.33 0.03 -1.14 0.00 0.00 176.83 176.76 1b4q h ARG 26 N 0.43 0.92 -0.66 3.45 2.47 -1.45 -2.04 114.38 117.50 1b4q h ARG 26 Ca 0.08 -0.12 0.10 0.00 -1.26 0.00 0.00 59.98 58.78 1b4q h ARG 26 Cb 0.52 -0.17 -0.08 0.00 -1.65 0.00 0.00 29.97 28.59 1b4q h ARG 26 CO 0.03 0.72 0.27 0.00 0.56 0.00 0.00 179.97 181.55 1b4q h ARG 27 N 0.89 0.44 -0.63 0.04 3.08 -0.70 0.52 114.38 118.02 1b4q h ARG 27 Ca 0.22 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.24 1b4q h ARG 27 Cb 0.09 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.01 1b4q h ARG 27 CO -0.03 0.29 0.37 0.00 -1.07 0.00 0.00 179.97 179.54 1b4q h ALA 28 N 1.45 1.48 -0.20 0.04 0.00 -1.22 0.51 119.26 121.31 1b4q h ALA 28 Ca 0.34 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 55.07 1b4q h ALA 28 Cb 0.42 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1b4q h ALA 28 CO -0.32 0.45 -0.28 1.96 0.00 0.00 0.00 179.25 181.06 1b4q h GLN 29 N 0.86 0.55 -0.20 0.00 4.20 0.02 -1.91 115.11 118.63 1b4q h GLN 29 Ca 0.23 -0.32 -0.16 0.00 0.06 0.00 0.00 58.65 58.46 1b4q h GLN 29 Cb -0.03 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 1b4q h GLN 29 CO -0.04 0.92 -0.53 0.93 -0.67 0.00 0.00 178.83 179.44 1b4q h GLU 30 N 0.22 0.58 0.15 1.46 4.39 0.46 -2.21 114.58 119.63 1b4q h GLU 30 Ca 0.02 -0.36 -0.01 0.00 0.34 0.00 0.00 59.36 59.36 1b4q h GLU 30 Cb 0.86 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.55 1b4q h GLU 30 CO 0.07 0.97 -0.07 0.97 -1.16 0.00 0.00 179.01 179.78 1b4q h ILE 31 N 0.45 0.59 -0.01 3.13 -0.00 -0.01 -3.17 117.51 118.49 1b4q h ILE 31 Ca 0.01 -1.16 0.00 0.00 -0.00 0.00 0.00 64.86 63.72 1b4q h ILE 31 Cb 1.07 1.04 -0.00 0.00 -0.00 0.00 0.00 36.82 38.93 1b4q h ILE 31 CO 0.10 0.17 0.03 -0.07 -0.00 0.00 0.00 178.15 178.38 1b4q h LEU 32 N -0.97 0.00 -1.92 2.19 3.38 -1.46 0.26 115.31 116.78 1b4q h LEU 32 Ca -0.02 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1b4q h LEU 32 Cb 0.43 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 1b4q h LEU 32 CO 0.03 0.00 -0.10 -1.28 0.09 0.00 0.00 178.44 177.18 1b4q h SER 33 N 0.00 0.00 -0.02 -0.43 0.87 -1.37 -0.90 113.55 111.70 1b4q h SER 33 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1b4q h SER 33 Cb 0.06 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 1b4q h SER 33 CO -0.00 0.10 -0.00 0.00 -0.53 0.00 0.00 176.83 176.40 1b4q n GLN 34 N -3.54 1.85 -3.10 2.24 1.13 0.91 -4.86 117.38 112.01 1b4q n GLN 34 Ca -0.02 -1.24 -0.40 0.00 -1.94 0.00 0.00 57.00 53.41 1b4q n GLN 34 Cb 0.24 -1.47 -0.05 0.00 0.11 0.00 0.00 30.24 29.06 1b4q n GLN 34 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1b4q s LEU 35 N -2.00 4.28 -0.58 1.08 1.43 -0.35 -4.93 118.68 117.61 1b4q s LEU 35 Ca 0.35 1.07 -0.23 0.00 -1.03 0.00 0.00 54.13 54.30 1b4q s LEU 35 Cb 0.21 -2.99 -0.20 0.00 0.03 0.00 0.00 46.19 43.23 1b4q s LEU 35 CO 0.33 -0.13 1.84 -0.81 0.23 0.00 0.00 176.35 177.80 1b4q n PRO 36 N 4.02 1.15 -2.53 1.29 -0.04 -1.26 -4.90 135.00 132.73 1b4q n PRO 36 Ca -0.02 -1.60 -0.32 0.00 -0.04 0.00 0.00 63.50 61.52 1b4q n PRO 36 Cb 0.51 -2.77 -0.04 0.00 -0.04 0.00 0.00 33.50 31.15 1b4q n PRO 36 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1b4q s ILE 37 N 5.37 4.52 0.00 0.52 -1.09 -1.26 -2.61 121.20 126.65 1b4q s ILE 37 Ca 0.58 1.24 0.00 0.00 -2.23 0.00 0.00 60.65 60.24 1b4q s ILE 37 Cb 0.14 -3.69 0.00 0.00 -1.58 0.00 0.00 42.46 37.33 1b4q s ILE 37 CO 0.16 -0.59 0.00 0.29 -1.23 0.00 0.00 174.94 173.57 1b4q n LYS 38 N -1.34 0.37 0.00 2.79 4.76 -1.11 -4.72 118.16 118.91 1b4q n LYS 38 Ca 0.06 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.50 1b4q n LYS 38 Cb 0.54 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.73 1b4q n LYS 38 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1b4q n GLN 39 N -0.68 0.77 -0.56 1.97 6.02 -1.26 -4.09 117.38 119.54 1b4q n GLN 39 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.87 1b4q n GLN 39 Cb 0.00 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.21 1b4q n GLN 39 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1b4q n GLY 40 N 0.00 2.43 0.08 1.08 0.00 -1.26 -3.94 105.19 103.58 1b4q n GLY 40 Ca 0.00 -0.66 -0.04 0.00 0.00 0.00 0.00 46.02 45.32 1b4q n GLY 40 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1b4q n LEU 41 N 3.48 0.16 -4.75 0.99 7.94 -1.26 -4.88 117.00 118.68 1b4q n LEU 41 Ca 0.29 0.07 -0.36 0.00 -1.11 0.00 0.00 56.01 54.91 1b4q n LEU 41 Cb 0.29 0.30 -0.07 0.00 0.53 0.00 0.00 43.42 44.48 1b4q n LEU 41 CO 0.42 0.33 -0.05 -0.22 -1.11 0.00 0.00 177.39 176.75 1b4q s LEU 42 N -5.33 4.27 0.25 -1.96 2.96 -1.25 -2.03 118.68 115.58 1b4q s LEU 42 Ca -0.08 0.48 0.00 0.00 -0.22 0.00 0.00 54.13 54.31 1b4q s LEU 42 Cb 0.08 -2.30 -0.03 0.00 0.50 0.00 0.00 46.19 44.44 1b4q s LEU 42 CO 0.85 0.16 0.21 -0.70 -1.32 0.00 0.00 176.35 175.55 1b4q s GLU 43 N 0.19 1.42 -0.17 1.98 2.12 -1.14 -5.03 118.70 118.07 1b4q s GLU 43 Ca 0.15 -1.72 -0.03 0.00 0.36 0.00 0.00 54.97 53.73 1b4q s GLU 43 Cb -0.13 0.31 0.05 0.00 0.26 0.00 0.00 34.13 34.63 1b4q s GLU 43 CO 0.03 -0.50 0.04 -0.06 -0.54 0.00 0.00 175.26 174.23 1b4q s PHE 44 N -3.89 0.87 -0.50 5.30 0.08 -1.26 -2.78 117.98 115.80 1b4q s PHE 44 Ca 0.38 -0.68 -0.18 0.00 0.12 0.00 0.00 56.93 56.58 1b4q s PHE 44 Cb 0.05 -0.95 0.07 0.00 -0.57 0.00 0.00 43.02 41.62 1b4q s PHE 44 CO 0.17 -0.55 0.53 0.08 -0.10 0.00 0.00 175.22 175.35 1b4q s VAL 45 N 1.91 5.03 -0.67 -0.44 1.01 0.56 -4.93 120.40 122.86 1b4q s VAL 45 Ca 0.00 -0.78 -0.26 0.00 0.00 0.00 0.00 61.98 60.94 1b4q s VAL 45 Cb -0.16 -4.24 0.04 0.00 0.00 0.00 0.00 36.38 32.02 1b4q s VAL 45 CO -0.08 -0.73 1.17 -1.81 0.00 0.00 0.00 175.10 173.65 1b4q s ASP 46 N 2.73 6.24 0.00 3.32 1.01 -1.26 -0.81 116.67 127.89 1b4q s ASP 46 Ca 0.10 -0.44 0.03 0.00 0.71 0.00 0.00 52.55 52.95 1b4q s ASP 46 Cb -0.22 -2.52 0.18 0.00 1.01 0.00 0.00 42.92 41.37 1b4q s ASP 46 CO 0.09 -1.63 0.72 2.30 0.21 0.00 0.00 175.17 176.86 1b4q n ILE 47 N 6.33 0.21 0.34 0.77 -5.35 -1.07 -1.19 119.36 119.40 1b4q n ILE 47 Ca 0.03 0.05 0.11 0.00 -0.27 0.00 0.00 62.75 62.67 1b4q n ILE 47 Cb 0.48 -1.00 -0.01 0.00 -1.74 0.00 0.00 39.64 37.37 1b4q n ILE 47 CO 0.00 0.00 0.00 1.07 -1.76 0.00 0.00 176.55 175.86 1b4q n THR 48 N -1.06 0.29 1.46 7.28 5.66 -1.26 -3.51 114.28 123.13 1b4q n THR 48 Ca 0.02 -0.38 0.00 0.00 -3.05 0.00 0.00 64.05 60.65 1b4q n THR 48 Cb 0.01 -0.01 0.00 0.00 -1.55 0.00 0.00 70.33 68.79 1b4q n THR 48 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1b4q n ALA 49 N -2.00 2.33 -0.01 1.79 0.00 -0.34 -3.14 120.51 119.14 1b4q n ALA 49 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1b4q n ALA 49 Cb 0.49 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.94 1b4q n ALA 49 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1b4q n THR 50 N -0.34 0.00 -1.69 0.00 5.66 -1.25 -5.12 114.28 111.54 1b4q n THR 50 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1b4q n THR 50 Cb 0.06 0.28 0.00 0.00 -1.55 0.00 0.00 70.33 69.12 1b4q n THR 50 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1b4q n ASN 51 N 0.00 0.00 -1.92 1.09 2.85 -1.19 -4.90 115.26 111.19 1b4q n ASN 51 Ca 0.00 0.00 -0.19 0.00 -0.11 0.00 0.00 54.58 54.28 1b4q n ASN 51 Cb 0.00 0.00 -0.05 0.00 1.24 0.00 0.00 39.78 40.97 1b4q n ASN 51 CO 0.00 0.00 0.00 1.41 -2.11 0.00 0.00 177.26 176.56 1b4q n HIS 52 N -0.52 -0.49 -0.29 1.20 -0.00 -1.26 -4.83 115.22 109.03 1b4q n HIS 52 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1b4q n HIS 52 Cb 0.00 -3.51 0.07 0.00 -0.00 0.00 0.00 29.99 26.55 1b4q n HIS 52 CO 0.00 0.00 0.00 1.79 -0.00 0.00 0.00 176.34 178.13 1b4q h THR 53 N 0.00 0.13 -0.83 1.59 1.35 -1.91 0.67 112.91 113.91 1b4q h THR 53 Ca -0.42 0.00 0.16 0.00 -0.55 0.00 0.00 66.41 65.59 1b4q h THR 53 Cb 1.30 0.13 -0.06 0.00 -1.73 0.00 0.00 68.15 67.79 1b4q h THR 53 CO 0.57 0.00 0.55 0.78 -0.25 0.00 0.00 175.52 177.16 1b4q h ASN 54 N -0.04 0.49 -0.35 5.36 -0.26 -1.94 -0.57 115.58 118.26 1b4q h ASN 54 Ca 0.34 0.03 -0.04 0.00 -0.56 0.00 0.00 56.30 56.08 1b4q h ASN 54 Cb 0.59 -0.06 -0.01 0.00 -1.06 0.00 0.00 38.32 37.77 1b4q h ASN 54 CO -0.84 0.24 0.06 -0.33 -1.06 0.00 0.00 177.43 175.51 1b4q h GLU 55 N 0.51 0.58 0.27 0.81 5.08 -0.01 0.34 114.58 122.16 1b4q h GLU 55 Ca 0.42 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.61 1b4q h GLU 55 Cb 0.86 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.04 1b4q h GLU 55 CO -0.16 0.65 -0.13 0.82 -1.00 0.00 0.00 179.01 179.19 1b4q h ILE 56 N 0.42 0.77 -0.82 3.13 5.03 -0.75 -0.23 117.51 125.06 1b4q h ILE 56 Ca 0.11 -0.59 0.05 0.00 -0.12 0.00 0.00 64.86 64.31 1b4q h ILE 56 Cb 0.34 1.08 -0.06 0.00 -3.03 0.00 0.00 36.82 35.16 1b4q h ILE 56 CO 0.01 0.12 0.51 1.56 -0.68 0.00 0.00 178.15 179.66 1b4q h GLN 57 N -0.68 0.92 -0.66 2.37 4.20 -1.20 0.91 115.11 120.96 1b4q h GLN 57 Ca -0.04 -0.06 0.12 0.00 0.06 0.00 0.00 58.65 58.74 1b4q h GLN 57 Cb 0.47 -0.21 -0.04 0.00 0.30 0.00 0.00 27.48 28.01 1b4q h GLN 57 CO 0.06 0.61 0.45 -0.44 -0.67 0.00 0.00 178.83 178.84 1b4q h ASP 58 N 0.95 0.35 0.04 1.46 5.19 -0.14 0.45 116.42 124.72 1b4q h ASP 58 Ca 0.35 0.01 -0.14 0.00 -0.62 0.00 0.00 57.03 56.64 1b4q h ASP 58 Cb 0.13 -0.06 0.01 0.00 0.18 0.00 0.00 39.33 39.59 1b4q h ASP 58 CO -0.16 0.20 -0.57 0.22 -3.12 0.00 0.00 179.24 175.81 1b4q h TYR 59 N 0.39 0.49 -0.90 4.55 3.20 0.22 -2.95 116.97 121.96 1b4q h TYR 59 Ca 0.32 -0.30 0.11 0.00 3.14 0.00 0.00 58.73 62.00 1b4q h TYR 59 Cb 0.71 -0.04 -0.07 0.00 1.54 0.00 0.00 36.73 38.87 1b4q h TYR 59 CO -0.00 1.15 0.58 -0.07 -1.64 0.00 0.00 178.16 178.18 1b4q h LEU 60 N -0.31 0.79 -0.11 2.82 3.38 0.23 0.17 115.31 122.28 1b4q h LEU 60 Ca -0.08 0.03 0.01 0.00 0.09 0.00 0.00 57.88 57.93 1b4q h LEU 60 Cb 1.34 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 1b4q h LEU 60 CO 0.11 0.45 0.04 -0.61 0.09 0.00 0.00 178.44 178.51 1b4q h GLN 61 N 0.86 0.09 0.29 1.13 5.75 -0.18 0.73 115.11 123.78 1b4q h GLN 61 Ca 0.43 -0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.91 1b4q h GLN 61 Cb 0.47 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.01 1b4q h GLN 61 CO -0.19 0.06 -0.14 1.96 -2.65 0.00 0.00 178.83 177.87 1b4q h GLN 62 N 0.09 -0.38 -0.35 1.69 1.08 -0.98 0.37 115.11 116.64 1b4q h GLN 62 Ca 0.05 0.03 -0.09 0.00 -1.45 0.00 0.00 58.65 57.18 1b4q h GLN 62 Cb 0.03 0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.53 1b4q h GLN 62 CO -0.05 -0.07 -0.18 1.25 -0.95 0.00 0.00 178.83 178.83 1b4q h LEU 63 N -0.71 0.63 0.00 1.46 6.46 -0.98 -3.39 115.31 118.78 1b4q h LEU 63 Ca -0.04 -0.20 0.00 0.00 -0.12 0.00 0.00 57.88 57.52 1b4q h LEU 63 Cb 0.49 -0.17 0.00 0.00 -0.73 0.00 0.00 40.66 40.24 1b4q h LEU 63 CO 0.07 0.82 -0.12 0.35 -0.62 0.00 0.00 178.44 178.94 1b4q n THR 64 N -4.15 0.23 0.00 1.05 -2.24 0.25 -5.06 114.28 104.36 1b4q n THR 64 Ca 0.00 0.34 0.00 0.00 -2.27 0.00 0.00 64.05 62.12 1b4q n THR 64 Cb 0.38 -1.49 0.00 0.00 -2.10 0.00 0.00 70.33 67.13 1b4q n THR 64 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1b4q n GLY 65 N 2.05 4.12 3.87 3.38 0.00 0.13 -4.97 105.19 113.77 1b4q n GLY 65 Ca -0.02 -0.64 -0.36 0.00 0.00 0.00 0.00 46.02 45.01 1b4q n GLY 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b4q s ALA 66 N 0.00 3.83 -0.29 4.61 0.00 -1.26 -4.71 121.76 123.94 1b4q s ALA 66 Ca 0.00 -0.54 0.10 0.00 0.00 0.00 0.00 51.96 51.53 1b4q s ALA 66 Cb 0.00 -2.09 0.55 0.00 0.00 0.00 0.00 23.12 21.58 1b4q s ALA 66 CO 0.00 0.61 1.54 2.89 0.00 0.00 0.00 175.76 180.80 1b4q n ARG 67 N 1.49 2.30 -2.19 0.00 -4.01 -1.26 -4.00 116.66 108.99 1b4q n ARG 67 Ca -0.14 -3.07 -0.27 0.00 -1.04 0.00 0.00 57.85 53.32 1b4q n ARG 67 Cb 0.53 -1.90 0.06 0.00 -3.04 0.00 0.00 32.46 28.11 1b4q n ARG 67 CO 0.00 0.00 0.00 0.99 -3.04 0.00 0.00 177.63 175.58 1b4q s THR 68 N -3.14 2.73 -0.11 8.89 2.01 -1.26 -5.02 115.64 119.74 1b4q s THR 68 Ca 0.46 -0.09 0.00 0.00 0.31 0.00 0.00 61.69 62.37 1b4q s THR 68 Cb 0.40 -3.17 -0.02 0.00 0.01 0.00 0.00 72.50 69.73 1b4q s THR 68 CO 0.04 -0.19 -0.12 -0.69 -0.69 0.00 0.00 174.62 172.98 1b4q s VAL 69 N -3.23 3.20 0.00 3.82 1.01 -1.26 -4.10 120.40 119.84 1b4q s VAL 69 Ca 0.58 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.94 1b4q s VAL 69 Cb -0.11 -2.33 0.00 0.00 0.00 0.00 0.00 36.38 33.94 1b4q s VAL 69 CO 0.46 0.54 0.00 -0.81 0.00 0.00 0.00 175.10 175.29 1b4q n PRO 70 N 3.22 0.44 -3.42 2.72 -0.04 -1.26 -4.38 135.00 132.28 1b4q n PRO 70 Ca -0.18 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.05 1b4q n PRO 70 Cb 0.53 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.88 1b4q n PRO 70 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1b4q s ARG 71 N -2.03 0.54 0.52 0.54 1.81 -0.90 -4.31 118.95 115.12 1b4q s ARG 71 Ca 0.00 -0.97 -0.09 0.00 -1.72 0.00 0.00 55.73 52.94 1b4q s ARG 71 Cb 0.00 -0.99 -0.05 0.00 -0.45 0.00 0.00 34.95 33.46 1b4q s ARG 71 CO 0.00 -1.17 0.89 0.08 -0.68 0.00 0.00 175.30 174.42 1b4q s VAL 72 N 1.41 4.78 -0.41 3.52 1.01 -0.79 -2.27 120.40 127.64 1b4q s VAL 72 Ca 0.16 0.62 0.04 0.00 0.00 0.00 0.00 61.98 62.80 1b4q s VAL 72 Cb -0.18 -3.83 0.17 0.00 0.00 0.00 0.00 36.38 32.53 1b4q s VAL 72 CO -0.07 -0.89 0.41 -0.36 0.00 0.00 0.00 175.10 174.20 1b4q s PHE 73 N -2.83 0.10 -0.25 5.22 0.08 -0.91 -3.59 117.98 115.80 1b4q s PHE 73 Ca 0.52 -1.44 -0.29 0.00 0.12 0.00 0.00 56.93 55.84 1b4q s PHE 73 Cb -0.11 -0.52 -0.02 0.00 -0.57 0.00 0.00 43.02 41.81 1b4q s PHE 73 CO 0.44 -0.96 1.57 0.42 -0.10 0.00 0.00 175.22 176.60 1b4q s ILE 74 N 0.76 3.76 0.00 0.64 1.09 -1.00 -3.56 121.20 122.88 1b4q s ILE 74 Ca 0.26 0.84 0.00 0.00 -1.10 0.00 0.00 60.65 60.65 1b4q s ILE 74 Cb -0.06 -3.79 0.00 0.00 -1.06 0.00 0.00 42.46 37.55 1b4q s ILE 74 CO -0.09 -0.35 0.00 0.61 -0.10 0.00 0.00 174.94 175.01 1b4q n GLY 75 N 4.67 0.84 0.07 6.18 0.00 -0.57 -1.82 105.19 114.56 1b4q n GLY 75 Ca 0.18 -0.81 0.14 0.00 0.00 0.00 0.00 46.02 45.53 1b4q n GLY 75 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1b4q n LYS 76 N 0.00 1.09 -2.96 1.61 5.02 -1.26 -4.62 118.16 117.03 1b4q n LYS 76 Ca 0.00 -0.14 -0.42 0.00 -2.02 0.00 0.00 58.31 55.73 1b4q n LYS 76 Cb 0.00 -1.45 -0.05 0.00 -0.02 0.00 0.00 35.03 33.51 1b4q n LYS 76 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1b4q s ASP 77 N -1.90 6.57 0.21 4.39 1.11 -0.76 -5.03 116.67 121.27 1b4q s ASP 77 Ca 0.42 0.42 -0.30 0.00 0.18 0.00 0.00 52.55 53.27 1b4q s ASP 77 Cb 0.20 -2.39 -0.08 0.00 1.07 0.00 0.00 42.92 41.71 1b4q s ASP 77 CO 0.33 -0.70 1.17 -0.55 1.18 0.00 0.00 175.17 176.61 1b4q s SER 78 N 1.79 7.13 0.00 0.27 0.15 -1.26 -2.38 113.70 119.40 1b4q s SER 78 Ca 0.31 2.25 0.16 0.00 0.70 0.00 0.00 55.95 59.37 1b4q s SER 78 Cb -0.13 -2.61 -0.08 0.00 -1.71 0.00 0.00 66.02 61.49 1b4q s SER 78 CO 0.16 -0.31 0.77 2.30 1.20 0.00 0.00 173.24 177.35 1b4q n ILE 79 N 2.12 0.00 0.00 6.45 -6.64 -1.24 -4.94 119.36 115.12 1b4q n ILE 79 Ca 0.03 -0.25 0.00 0.00 -1.77 0.00 0.00 62.75 60.76 1b4q n ILE 79 Cb 0.45 1.11 0.00 0.00 -1.44 0.00 0.00 39.64 39.75 1b4q n ILE 79 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1b4q n GLY 80 N 1.25 0.09 0.00 3.28 0.00 -1.26 -4.45 105.19 104.10 1b4q n GLY 80 Ca 0.05 -2.12 0.00 0.00 0.00 0.00 0.00 46.02 43.95 1b4q n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b4q n GLY 81 N 0.00 2.07 0.09 -0.02 0.00 -1.26 -1.88 105.19 104.19 1b4q n GLY 81 Ca 0.00 -1.77 -0.03 0.00 0.00 0.00 0.00 46.02 44.22 1b4q n GLY 81 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1b4q h SER 82 N 0.00 -0.18 -1.03 1.61 4.64 -1.81 -0.58 113.55 116.20 1b4q h SER 82 Ca 0.00 0.01 0.30 0.00 -0.47 0.00 0.00 61.79 61.63 1b4q h SER 82 Cb 0.00 0.05 -0.04 0.00 -0.31 0.00 0.00 62.40 62.09 1b4q h SER 82 CO 0.00 -0.03 0.78 -1.28 -0.87 0.00 0.00 176.83 175.43 1b4q h SER 83 N -0.41 0.00 -0.02 4.97 0.87 -1.94 0.28 113.55 117.29 1b4q h SER 83 Ca -0.02 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.47 1b4q h SER 83 Cb 0.16 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 1b4q h SER 83 CO 0.04 0.00 -0.25 0.44 -0.53 0.00 0.00 176.83 176.53 1b4q h ASP 84 N 0.00 0.26 0.36 6.23 5.19 -1.86 -2.66 116.42 123.93 1b4q h ASP 84 Ca 0.49 -0.71 -0.00 0.00 -0.62 0.00 0.00 57.03 56.18 1b4q h ASP 84 Cb 2.04 -0.08 -0.03 0.00 0.18 0.00 0.00 39.33 41.44 1b4q h ASP 84 CO -0.01 0.93 -0.45 0.25 -3.12 0.00 0.00 179.24 176.85 1b4q h LEU 85 N -0.40 -1.26 -0.34 1.55 6.46 0.12 -2.76 115.31 118.69 1b4q h LEU 85 Ca -0.02 0.11 0.06 0.00 -0.12 0.00 0.00 57.88 57.91 1b4q h LEU 85 Cb 0.95 0.43 -0.05 0.00 -0.73 0.00 0.00 40.66 41.26 1b4q h LEU 85 CO 0.05 -0.58 0.00 -0.37 -0.62 0.00 0.00 178.44 176.92 1b4q h VAL 86 N -0.85 0.75 -1.12 1.05 -1.51 -1.45 -0.43 116.25 112.70 1b4q h VAL 86 Ca -0.03 -0.03 0.34 0.00 -1.23 0.00 0.00 66.70 65.74 1b4q h VAL 86 Cb 0.77 0.65 -0.12 0.00 -2.13 0.00 0.00 31.29 30.46 1b4q h VAL 86 CO -0.12 0.02 0.69 0.28 -1.23 0.00 0.00 177.57 177.21 1b4q h SER 87 N 0.10 0.41 0.31 4.19 0.02 -1.19 0.20 113.55 117.58 1b4q h SER 87 Ca 0.16 0.14 -0.31 0.00 -0.84 0.00 0.00 61.79 60.94 1b4q h SER 87 Cb 0.22 0.09 0.03 0.00 0.14 0.00 0.00 62.40 62.88 1b4q h SER 87 CO -0.27 -0.08 -1.36 -0.07 -1.14 0.00 0.00 176.83 173.92 1b4q h LEU 88 N 0.27 0.76 0.97 5.07 3.38 -0.88 -3.22 115.31 121.66 1b4q h LEU 88 Ca 0.72 -0.78 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 1b4q h LEU 88 Cb 1.90 -0.25 0.01 0.00 0.09 0.00 0.00 40.66 42.42 1b4q h LEU 88 CO -0.45 1.60 -0.47 -0.61 0.09 0.00 0.00 178.44 178.60 1b4q h GLN 89 N 0.17 -1.25 -0.05 1.13 5.75 0.32 0.51 115.11 121.68 1b4q h GLN 89 Ca -0.21 0.09 0.02 0.00 -0.15 0.00 0.00 58.65 58.39 1b4q h GLN 89 Cb 2.05 0.29 -0.00 0.00 1.07 0.00 0.00 27.48 30.88 1b4q h GLN 89 CO 0.25 -0.84 0.08 -0.56 -2.65 0.00 0.00 178.83 175.11 1b4q h GLN 90 N -1.30 0.00 0.00 1.69 -0.00 -1.62 -2.71 115.11 111.17 1b4q h GLN 90 Ca -0.13 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.51 1b4q h GLN 90 Cb 1.00 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.48 1b4q h GLN 90 CO 0.22 0.00 -0.05 0.77 -0.00 0.00 0.00 178.83 179.76 1b4q h SER 91 N 0.00 0.00 0.00 0.06 0.02 -1.44 -3.49 113.55 108.70 1b4q h SER 91 Ca 0.03 -0.29 0.00 0.00 -0.84 0.00 0.00 61.79 60.69 1b4q h SER 91 Cb 0.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.72 1b4q h SER 91 CO -0.00 0.67 0.00 0.61 -1.14 0.00 0.00 176.83 176.97 1b4q n GLY 92 N 1.72 0.98 0.21 -3.77 0.00 0.17 -4.97 105.19 99.53 1b4q n GLY 92 Ca -0.04 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.05 1b4q n GLY 92 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1b4q h GLU 93 N 0.00 0.00 0.46 1.61 4.81 -1.81 -3.04 114.58 116.62 1b4q h GLU 93 Ca 0.00 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1b4q h GLU 93 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1b4q h GLU 93 CO 0.00 0.30 -0.22 1.25 -0.73 0.00 0.00 179.01 179.60 1b4q h LEU 94 N 0.00 -0.53 -2.01 1.64 5.85 -1.85 -1.18 115.31 117.23 1b4q h LEU 94 Ca -0.00 0.02 0.16 0.00 0.84 0.00 0.00 57.88 58.89 1b4q h LEU 94 Cb 0.69 0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.84 1b4q h LEU 94 CO 0.04 -0.38 0.44 0.17 -0.34 0.00 0.00 178.44 178.37 1b4q h LEU 95 N -0.63 0.00 -0.16 2.25 8.10 -1.85 0.23 115.31 123.26 1b4q h LEU 95 Ca -0.06 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.91 1b4q h LEU 95 Cb 0.48 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.69 1b4q h LEU 95 CO 0.10 0.00 0.04 0.74 -4.11 0.00 0.00 178.44 175.22 1b4q h THR 96 N 0.00 1.19 -0.52 0.15 2.02 -1.33 0.49 112.91 114.92 1b4q h THR 96 Ca 0.26 -0.61 0.05 0.00 0.77 0.00 0.00 66.41 66.88 1b4q h THR 96 Cb 1.13 1.30 -0.03 0.00 -1.74 0.00 0.00 68.15 68.81 1b4q h THR 96 CO -0.00 0.18 0.34 0.03 0.37 0.00 0.00 175.52 176.44 1b4q h ARG 97 N 0.07 0.49 -0.20 6.66 2.47 0.67 -0.01 114.38 124.53 1b4q h ARG 97 Ca 0.05 -0.03 -0.19 0.00 -1.26 0.00 0.00 59.98 58.55 1b4q h ARG 97 Cb 0.25 -0.11 0.01 0.00 -1.65 0.00 0.00 29.97 28.46 1b4q h ARG 97 CO -0.00 0.32 -0.62 -0.07 0.56 0.00 0.00 179.97 180.16 1b4q h LEU 98 N 0.50 0.89 0.16 3.04 4.07 -0.69 -3.29 115.31 120.00 1b4q h LEU 98 Ca 0.22 -0.59 -0.01 0.00 0.08 0.00 0.00 57.88 57.58 1b4q h LEU 98 Cb 0.23 -0.26 0.00 0.00 1.08 0.00 0.00 40.66 41.71 1b4q h LEU 98 CO -0.06 1.32 -0.08 0.50 -1.08 0.00 0.00 178.44 179.05 1b4q h LYS 99 N 0.51 -0.21 -0.92 1.13 1.63 0.17 0.72 116.57 119.60 1b4q h LYS 99 Ca -0.02 0.01 0.24 0.00 -0.85 0.00 0.00 60.65 60.03 1b4q h LYS 99 Cb 1.24 0.05 -0.06 0.00 -0.60 0.00 0.00 32.23 32.86 1b4q h LYS 99 CO 0.13 0.05 0.63 -0.56 -3.45 0.00 0.00 179.45 176.25 1b4q h GLN 100 N -0.47 0.23 0.00 1.90 3.07 -1.19 0.21 115.11 118.87 1b4q h GLN 100 Ca -0.02 -0.01 0.00 0.00 0.09 0.00 0.00 58.65 58.70 1b4q h GLN 100 Cb 0.36 -0.05 0.00 0.00 0.08 0.00 0.00 27.48 27.87 1b4q h GLN 100 CO 0.04 0.15 -1.43 0.44 0.09 0.00 0.00 178.83 178.12 1b4q n ILE 101 N -4.43 0.00 -1.98 1.86 -5.35 -1.16 -4.99 119.36 103.31 1b4q n ILE 101 Ca 0.20 -0.23 0.00 0.00 -0.27 0.00 0.00 62.75 62.44 1b4q n ILE 101 Cb 0.83 0.54 0.00 0.00 -1.74 0.00 0.00 39.64 39.28 1b4q n ILE 101 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1b4q n GLY 102 N 1.40 0.79 0.09 3.28 0.00 0.13 -4.65 105.19 106.23 1b4q n GLY 102 Ca 0.00 -0.52 0.12 0.00 0.00 0.00 0.00 46.02 45.62 1b4q n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b4q h ALA 103 N 0.00 0.64 -1.08 4.61 0.00 -0.07 -3.47 119.26 119.89 1b4q h ALA 103 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 54.91 54.43 1b4q h ALA 103 Cb 0.85 0.00 0.07 0.00 0.00 0.00 0.00 17.79 18.71 1b4q h ALA 103 CO 0.00 0.00 0.06 -0.48 0.00 0.00 0.00 179.25 178.83 1b4q s LEU 104 N -4.70 2.98 0.00 0.00 2.34 -1.25 -2.76 118.68 115.28 1b4q s LEU 104 Ca 0.05 -0.58 0.30 0.00 0.06 0.00 0.00 54.13 53.96 1b4q s LEU 104 Cb 0.12 -1.74 1.76 0.00 -0.56 0.00 0.00 46.19 45.77 1b4q s LEU 104 CO 0.72 -1.79 2.10 0.00 -1.06 0.00 0.00 176.35 176.32