#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 6.02 -1.26 -4.78 117.38 117.36 1b4q n GLN 2 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1b4q n GLN 2 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 1b4q n GLN 2 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.06 175.20 1b4q n GLU 3 N -1.58 0.00 0.00 -1.09 -0.00 -1.26 -2.96 120.64 113.76 1b4q n GLU 3 Ca 0.00 0.26 0.00 0.00 -0.00 0.00 0.00 57.16 57.42 1b4q n GLU 3 Cb 0.00 -1.52 0.00 0.00 -0.00 0.00 0.00 31.44 29.92 1b4q n GLU 3 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 1b4q n PHE 4 N -1.24 0.00 -0.03 -1.84 3.01 -1.26 -1.61 117.46 114.48 1b4q n PHE 4 Ca 0.00 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.29 1b4q n PHE 4 Cb 0.02 -0.47 -0.07 0.00 -0.01 0.00 0.00 39.48 38.95 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 1.28 -0.92 -4.37 -1.51 -1.90 -3.08 116.25 105.75 1b4q h VAL 5 Ca 0.00 -1.92 0.12 0.00 -1.23 0.00 0.00 66.70 63.68 1b4q h VAL 5 Cb 0.00 1.94 -0.07 0.00 -2.13 0.00 0.00 31.29 31.03 1b4q h VAL 5 CO 0.00 0.61 0.59 0.78 -1.23 0.00 0.00 177.57 178.32 1b4q h ASN 6 N 0.53 0.78 0.91 4.19 2.35 -1.66 0.66 115.58 123.33 1b4q h ASN 6 Ca -0.04 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1b4q h ASN 6 Cb 1.35 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 39.60 1b4q h ASN 6 CO 0.15 0.42 0.00 -1.20 -1.65 0.00 0.00 177.43 175.15 1b4q n SER 7 N -4.57 0.37 -0.12 5.81 7.64 -0.63 -3.68 113.62 118.44 1b4q n SER 7 Ca 0.17 0.56 -0.25 0.00 1.01 0.00 0.00 58.87 60.36 1b4q n SER 7 Cb 0.39 -0.65 -0.11 0.00 -1.01 0.00 0.00 64.21 62.83 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 -1.87 0.61 -2.69 1.43 5.02 0.20 -4.91 118.16 115.96 1b4q n LYS 8 Ca 0.04 0.29 -0.41 0.00 -2.02 0.00 0.00 58.31 56.22 1b4q n LYS 8 Cb 0.29 -1.56 -0.04 0.00 -0.02 0.00 0.00 35.03 33.69 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 -2.49 4.35 0.00 -0.18 -4.36 0.42 -4.92 121.20 114.02 1b4q s ILE 9 Ca -0.35 1.98 -0.10 0.00 -0.26 0.00 0.00 60.65 61.93 1b4q s ILE 9 Cb 0.11 -4.27 0.01 0.00 1.25 0.00 0.00 42.46 39.56 1b4q s ILE 9 CO 0.56 0.32 0.20 -1.10 0.24 0.00 0.00 174.94 175.16 1b4q s GLN 10 N -0.12 0.56 0.00 0.37 -0.21 -1.26 -4.84 119.66 114.17 1b4q s GLN 10 Ca 0.47 -0.35 -0.35 0.00 0.02 0.00 0.00 55.36 55.16 1b4q s GLN 10 Cb -0.25 0.24 -0.13 0.00 1.00 0.00 0.00 33.01 33.87 1b4q s GLN 10 CO 0.31 -0.15 1.73 -2.30 -2.12 0.00 0.00 175.29 172.76 1b4q n PRO 11 N 1.32 2.05 -1.75 2.91 -0.02 -1.26 -1.03 135.00 137.22 1b4q n PRO 11 Ca -0.22 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 1b4q n PRO 11 Cb 0.56 -2.54 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 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 3.92 0.45 2.88 -1.23 0.00 -1.26 -4.95 105.19 104.99 1b4q n GLY 12 Ca 0.20 -0.87 -0.13 0.00 0.00 0.00 0.00 46.02 45.22 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 -3.54 0.03 -0.14 1.61 2.20 -0.20 -4.61 119.74 115.09 1b4q s LYS 13 Ca 0.00 0.10 -0.05 0.00 -0.36 0.00 0.00 55.97 55.66 1b4q s LYS 13 Cb 0.00 -0.05 -0.04 0.00 -1.51 0.00 0.00 37.83 36.23 1b4q s LYS 13 CO 0.00 -0.05 0.05 0.08 -0.36 0.00 0.00 175.35 175.07 1b4q s VAL 14 N 0.32 4.67 -0.04 4.02 1.01 -0.71 -0.15 120.40 129.53 1b4q s VAL 14 Ca -0.03 -0.09 -0.04 0.00 0.00 0.00 0.00 61.98 61.82 1b4q s VAL 14 Cb -0.04 -3.04 0.01 0.00 0.00 0.00 0.00 36.38 33.31 1b4q s VAL 14 CO -0.01 0.54 0.12 0.54 0.00 0.00 0.00 175.10 176.29 1b4q s VAL 15 N -0.30 0.01 -0.10 2.92 0.11 -1.22 -2.90 120.40 118.93 1b4q s VAL 15 Ca 0.08 -0.10 0.02 0.00 -2.93 0.00 0.00 61.98 59.05 1b4q s VAL 15 Cb -0.12 -0.21 0.01 0.00 -1.53 0.00 0.00 36.38 34.53 1b4q s VAL 15 CO 0.02 -0.06 -0.17 -0.69 -3.33 0.00 0.00 175.10 170.87 1b4q s VAL 16 N -0.14 1.61 -0.25 2.04 1.01 -0.88 -1.98 120.40 121.81 1b4q s VAL 16 Ca -0.02 -0.73 -0.17 0.00 0.00 0.00 0.00 61.98 61.06 1b4q s VAL 16 Cb -0.02 -1.45 -0.03 0.00 0.00 0.00 0.00 36.38 34.88 1b4q s VAL 16 CO 0.00 0.46 0.45 -0.36 0.00 0.00 0.00 175.10 175.65 1b4q s PHE 17 N 0.76 3.28 0.28 5.22 0.40 -0.48 0.23 117.98 127.67 1b4q s PHE 17 Ca -0.11 0.56 0.03 0.00 -0.60 0.00 0.00 56.93 56.81 1b4q s PHE 17 Cb -0.16 -2.63 -0.01 0.00 0.51 0.00 0.00 43.02 40.73 1b4q s PHE 17 CO 0.02 -0.21 0.11 0.44 0.70 0.00 0.00 175.22 176.27 1b4q n ILE 18 N 4.98 0.00 -3.42 0.64 -5.35 -0.38 -1.04 119.36 114.80 1b4q n ILE 18 Ca -0.06 -1.64 -0.23 0.00 -0.27 0.00 0.00 62.75 60.55 1b4q n ILE 18 Cb 0.50 0.60 -0.10 0.00 -1.74 0.00 0.00 39.64 38.90 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 -3.06 0.53 -0.32 6.28 1.02 -1.26 -2.81 119.74 120.12 1b4q s LYS 19 Ca 0.15 -0.97 -0.10 0.00 0.02 0.00 0.00 55.97 55.07 1b4q s LYS 19 Cb 0.01 -0.99 -0.09 0.00 -0.52 0.00 0.00 37.83 36.23 1b4q s LYS 19 CO 0.11 -1.17 1.31 -2.30 -0.92 0.00 0.00 175.35 172.37 1b4q n PRO 20 N 4.33 0.03 0.00 -1.68 -0.02 -1.26 -2.14 135.00 134.26 1b4q n PRO 20 Ca 0.09 -0.57 0.00 0.00 -2.02 0.00 0.00 63.50 61.00 1b4q n PRO 20 Cb 0.42 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 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 5.92 0.00 -3.62 3.45 -1.04 -1.26 -5.12 114.28 112.61 1b4q n THR 21 Ca 0.15 0.00 -0.36 0.00 -2.04 0.00 0.00 64.05 61.80 1b4q n THR 21 Cb 0.46 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.89 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 6.68 0.00 -0.28 0.00 0.11 -1.98 -1.62 132.00 134.90 1b4q h PRO 23 Ca -0.41 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.54 1b4q h PRO 23 Cb 1.16 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1b4q h PRO 23 CO 0.76 0.00 -0.47 1.88 -0.21 0.00 0.00 178.00 179.96 1b4q h TYR 24 N 0.00 0.92 -0.39 0.65 -1.99 -1.93 -1.55 116.97 112.69 1b4q h TYR 24 Ca 0.02 -0.30 -0.10 0.00 2.00 0.00 0.00 58.73 60.35 1b4q h TYR 24 Cb 0.24 -0.19 -0.02 0.00 2.00 0.00 0.00 36.73 38.76 1b4q h TYR 24 CO 0.00 1.08 -0.15 0.77 -0.00 0.00 0.00 178.16 179.86 1b4q h SER 25 N 0.60 0.70 -0.71 3.88 0.02 -1.49 -2.53 113.55 114.02 1b4q h SER 25 Ca 0.03 -0.22 -0.06 0.00 -0.84 0.00 0.00 61.79 60.71 1b4q h SER 25 Cb 1.04 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 63.36 1b4q h SER 25 CO 0.10 0.87 0.22 0.03 -1.14 0.00 0.00 176.83 176.90 1b4q h ARG 26 N 0.64 1.11 -0.40 3.45 2.47 -1.37 -2.71 114.38 117.57 1b4q h ARG 26 Ca 0.10 -0.24 0.07 0.00 -1.26 0.00 0.00 59.98 58.65 1b4q h ARG 26 Cb 0.62 -0.16 -0.06 0.00 -1.65 0.00 0.00 29.97 28.71 1b4q h ARG 26 CO 0.04 0.95 0.00 0.00 0.56 0.00 0.00 179.97 181.53 1b4q h ARG 27 N 1.05 0.11 -0.61 0.04 3.08 -0.85 0.32 114.38 117.51 1b4q h ARG 27 Ca 0.23 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.31 1b4q h ARG 27 Cb 0.31 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.30 1b4q h ARG 27 CO -0.01 0.07 0.40 0.00 -1.07 0.00 0.00 179.97 179.37 1b4q h ALA 28 N 1.35 1.68 -0.22 0.04 0.00 -1.34 0.29 119.26 121.05 1b4q h ALA 28 Ca 0.20 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.96 1b4q h ALA 28 Cb 0.27 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1b4q h ALA 28 CO -0.32 0.25 -0.31 1.96 0.00 0.00 0.00 179.25 180.82 1b4q h GLN 29 N 0.71 0.61 -0.18 0.00 4.20 -0.56 -2.14 115.11 117.75 1b4q h GLN 29 Ca 0.25 -0.35 -0.16 0.00 0.06 0.00 0.00 58.65 58.45 1b4q h GLN 29 Cb 0.09 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 1b4q h GLN 29 CO -0.07 0.96 -0.54 0.93 -0.67 0.00 0.00 178.83 179.44 1b4q h GLU 30 N 0.30 0.52 0.16 1.46 4.39 0.35 -2.52 114.58 119.24 1b4q h GLU 30 Ca 0.02 -0.32 -0.01 0.00 0.34 0.00 0.00 59.36 59.39 1b4q h GLU 30 Cb 0.89 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.58 1b4q h GLU 30 CO 0.07 0.93 -0.08 0.97 -1.16 0.00 0.00 179.01 179.74 1b4q h ILE 31 N 0.40 0.20 0.00 3.13 -0.00 -0.48 -3.23 117.51 117.54 1b4q h ILE 31 Ca 0.01 -0.96 0.00 0.00 -0.00 0.00 0.00 64.86 63.91 1b4q h ILE 31 Cb 1.08 0.37 0.00 0.00 -0.00 0.00 0.00 36.82 38.26 1b4q h ILE 31 CO 0.10 0.06 0.05 -0.07 -0.00 0.00 0.00 178.15 178.29 1b4q h LEU 32 N -1.04 0.00 -1.42 2.19 3.38 -1.52 0.69 115.31 117.60 1b4q h LEU 32 Ca -0.02 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 1b4q h LEU 32 Cb 0.26 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1b4q h LEU 32 CO 0.04 0.00 -0.29 -1.28 0.09 0.00 0.00 178.44 176.99 1b4q h SER 33 N 0.00 0.00 -0.27 -0.43 0.87 -1.46 -1.85 113.55 110.41 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 0.09 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.05 1b4q h SER 33 CO 0.00 0.29 0.00 0.00 -0.53 0.00 0.00 176.83 176.59 1b4q n GLN 34 N -4.18 1.92 -3.23 2.24 3.00 0.23 -4.87 117.38 112.49 1b4q n GLN 34 Ca -0.02 -1.39 -0.39 0.00 -0.01 0.00 0.00 57.00 55.19 1b4q n GLN 34 Cb 0.34 -1.40 -0.06 0.00 0.00 0.00 0.00 30.24 29.12 1b4q n GLN 34 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1b4q s LEU 35 N -1.41 4.24 -0.55 1.08 1.43 -0.70 -4.94 118.68 117.83 1b4q s LEU 35 Ca 0.32 0.85 -0.23 0.00 -1.03 0.00 0.00 54.13 54.05 1b4q s LEU 35 Cb 0.18 -2.79 -0.20 0.00 0.03 0.00 0.00 46.19 43.40 1b4q s LEU 35 CO 0.25 -0.09 1.82 -0.81 0.23 0.00 0.00 176.35 177.75 1b4q n PRO 36 N 4.09 1.09 -2.87 1.29 -0.04 -1.26 -4.90 135.00 132.40 1b4q n PRO 36 Ca -0.05 -1.55 -0.33 0.00 -0.04 0.00 0.00 63.50 61.54 1b4q n PRO 36 Cb 0.51 -2.74 -0.06 0.00 -0.04 0.00 0.00 33.50 31.17 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 5.42 4.52 0.00 0.52 -1.09 -1.26 -2.60 121.20 126.71 1b4q s ILE 37 Ca 0.57 1.24 0.00 0.00 -2.23 0.00 0.00 60.65 60.24 1b4q s ILE 37 Cb 0.14 -3.62 0.00 0.00 -1.58 0.00 0.00 42.46 37.40 1b4q s ILE 37 CO 0.17 -0.33 0.00 0.29 -1.23 0.00 0.00 174.94 173.84 1b4q n LYS 38 N -0.69 0.41 0.00 2.79 4.76 -1.19 -4.80 118.16 119.44 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 -0.67 2.64 -0.23 1.97 1.13 -1.26 -4.02 117.38 116.94 1b4q n GLN 39 Ca 0.00 0.00 -0.04 0.00 -1.94 0.00 0.00 57.00 55.02 1b4q n GLN 39 Cb 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.32 1b4q n GLN 39 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1b4q n GLY 40 N 0.00 1.65 0.03 1.08 0.00 -1.26 -3.80 105.19 102.89 1b4q n GLY 40 Ca 0.00 -0.28 0.10 0.00 0.00 0.00 0.00 46.02 45.85 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 3.40 0.13 -4.64 0.99 7.94 -1.26 -4.87 117.00 118.70 1b4q n LEU 41 Ca 0.11 0.05 -0.35 0.00 -1.11 0.00 0.00 56.01 54.72 1b4q n LEU 41 Cb 0.15 0.00 -0.10 0.00 0.53 0.00 0.00 43.42 44.01 1b4q n LEU 41 CO 0.32 -0.01 -0.25 -0.22 -1.11 0.00 0.00 177.39 176.12 1b4q s LEU 42 N -4.67 3.83 0.13 -1.96 2.96 -1.25 -1.74 118.68 115.98 1b4q s LEU 42 Ca -0.07 0.08 -0.03 0.00 -0.22 0.00 0.00 54.13 53.89 1b4q s LEU 42 Cb 0.13 -1.97 -0.03 0.00 0.50 0.00 0.00 46.19 44.82 1b4q s LEU 42 CO 0.89 0.17 0.11 -0.70 -1.32 0.00 0.00 176.35 175.50 1b4q s GLU 43 N 0.40 0.97 -0.22 1.98 2.56 -1.14 -5.03 118.70 118.21 1b4q s GLU 43 Ca 0.03 -1.35 0.01 0.00 0.00 0.00 0.00 54.97 53.66 1b4q s GLU 43 Cb -0.12 0.28 0.05 0.00 2.00 0.00 0.00 34.13 36.34 1b4q s GLU 43 CO 0.00 -0.29 -0.06 -0.06 -0.56 0.00 0.00 175.26 174.28 1b4q s PHE 44 N -4.02 2.29 -0.57 5.30 0.08 -1.26 -2.08 117.98 117.72 1b4q s PHE 44 Ca 0.21 -1.61 -0.19 0.00 0.12 0.00 0.00 56.93 55.45 1b4q s PHE 44 Cb 0.06 -1.55 0.09 0.00 -0.57 0.00 0.00 43.02 41.06 1b4q s PHE 44 CO 0.00 -0.74 0.69 0.08 -0.10 0.00 0.00 175.22 175.15 1b4q s VAL 45 N 1.43 4.82 -0.69 -0.44 1.01 0.62 -4.92 120.40 122.23 1b4q s VAL 45 Ca -0.04 -0.84 -0.27 0.00 0.00 0.00 0.00 61.98 60.83 1b4q s VAL 45 Cb -0.18 -4.44 0.03 0.00 0.00 0.00 0.00 36.38 31.80 1b4q s VAL 45 CO -0.07 -1.04 1.21 -1.81 0.00 0.00 0.00 175.10 173.39 1b4q s ASP 46 N 3.37 6.22 0.00 3.32 1.11 -1.26 -1.24 116.67 128.18 1b4q s ASP 46 Ca 0.13 -0.40 0.05 0.00 0.18 0.00 0.00 52.55 52.50 1b4q s ASP 46 Cb -0.23 -2.54 0.23 0.00 1.07 0.00 0.00 42.92 41.46 1b4q s ASP 46 CO 0.08 -1.70 1.01 2.30 1.18 0.00 0.00 175.17 178.04 1b4q n ILE 47 N 6.38 1.09 -1.38 0.77 -5.35 -1.12 -2.11 119.36 117.63 1b4q n ILE 47 Ca 0.03 0.27 -0.31 0.00 -0.27 0.00 0.00 62.75 62.47 1b4q n ILE 47 Cb 0.49 -1.19 0.05 0.00 -1.74 0.00 0.00 39.64 37.24 1b4q n ILE 47 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1b4q n THR 48 N -1.32 3.42 -1.83 7.28 -2.24 -1.26 -3.70 114.28 114.63 1b4q n THR 48 Ca 0.02 -2.96 0.00 0.00 -2.27 0.00 0.00 64.05 58.84 1b4q n THR 48 Cb 0.04 -1.26 0.00 0.00 -2.10 0.00 0.00 70.33 67.01 1b4q n THR 48 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1b4q n ALA 49 N -0.40 1.41 -0.69 6.98 0.00 -0.89 -4.85 120.51 122.07 1b4q n ALA 49 Ca 0.53 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.76 1b4q n ALA 49 Cb 0.54 -0.06 0.00 0.00 0.00 0.00 0.00 19.45 19.93 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 0.00 0.00 -2.14 0.00 5.66 -1.24 -5.10 114.28 111.46 1b4q n THR 50 Ca 0.00 -0.01 0.06 0.00 -3.05 0.00 0.00 64.05 61.05 1b4q n THR 50 Cb 0.52 1.69 -0.02 0.00 -1.55 0.00 0.00 70.33 70.98 1b4q n THR 50 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1b4q n ASN 51 N -0.01 -3.77 -1.14 1.09 3.02 -1.25 -4.81 115.26 108.39 1b4q n ASN 51 Ca 0.00 0.48 -0.12 0.00 -0.03 0.00 0.00 54.58 54.92 1b4q n ASN 51 Cb 0.17 -1.36 -0.05 0.00 -0.61 0.00 0.00 39.78 37.94 1b4q n ASN 51 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1b4q n HIS 52 N -2.00 -0.26 -0.25 3.10 8.25 -1.26 -4.77 115.22 118.03 1b4q n HIS 52 Ca 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.45 1b4q n HIS 52 Cb 0.20 -2.47 0.01 0.00 1.12 0.00 0.00 29.99 28.85 1b4q n HIS 52 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 1b4q n THR 53 N -1.83 -0.36 -0.02 1.59 -1.04 -1.26 0.23 114.28 111.58 1b4q n THR 53 Ca -0.12 1.53 0.09 0.00 -2.04 0.00 0.00 64.05 63.51 1b4q n THR 53 Cb 0.44 -1.99 0.50 0.00 -1.82 0.00 0.00 70.33 67.46 1b4q n THR 53 CO 0.00 0.00 0.00 0.78 -0.64 0.00 0.00 175.07 175.21 1b4q h ASN 54 N 0.00 0.35 -0.50 8.00 4.21 -1.93 -2.17 115.58 123.54 1b4q h ASN 54 Ca 0.21 0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.68 1b4q h ASN 54 Cb 0.37 -0.08 -0.02 0.00 -1.12 0.00 0.00 38.32 37.47 1b4q h ASN 54 CO -0.64 0.23 0.19 -0.33 -1.29 0.00 0.00 177.43 175.59 1b4q h GLU 55 N 0.40 0.75 0.49 0.81 4.39 0.24 0.30 114.58 121.97 1b4q h GLU 55 Ca 0.21 -0.14 -0.02 0.00 0.34 0.00 0.00 59.36 59.74 1b4q h GLU 55 Cb 0.31 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 1b4q h GLU 55 CO -0.05 0.68 -0.24 0.82 -1.16 0.00 0.00 179.01 179.06 1b4q h ILE 56 N 0.67 0.40 -0.78 3.13 5.03 -1.20 0.82 117.51 125.58 1b4q h ILE 56 Ca 0.16 -0.42 0.10 0.00 -0.12 0.00 0.00 64.86 64.58 1b4q h ILE 56 Cb 0.22 0.55 -0.07 0.00 -3.03 0.00 0.00 36.82 34.48 1b4q h ILE 56 CO -0.01 0.06 0.42 1.56 -0.68 0.00 0.00 178.15 179.50 1b4q h GLN 57 N -0.95 0.69 -0.60 2.37 4.20 -1.46 1.14 115.11 120.50 1b4q h GLN 57 Ca -0.07 -0.04 0.10 0.00 0.06 0.00 0.00 58.65 58.70 1b4q h GLN 57 Cb 0.60 -0.16 -0.04 0.00 0.30 0.00 0.00 27.48 28.19 1b4q h GLN 57 CO 0.11 0.46 0.40 -0.44 -0.67 0.00 0.00 178.83 178.69 1b4q h ASP 58 N 0.71 0.36 0.01 1.46 3.32 -0.22 0.41 116.42 122.47 1b4q h ASP 58 Ca 0.38 0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.36 1b4q h ASP 58 Cb 0.37 -0.07 0.01 0.00 0.22 0.00 0.00 39.33 39.86 1b4q h ASP 58 CO -0.26 0.22 -0.30 0.22 -1.72 0.00 0.00 179.24 177.40 1b4q h TYR 59 N 0.40 0.28 -0.84 4.55 5.03 0.35 -2.89 116.97 123.85 1b4q h TYR 59 Ca 0.28 -0.16 0.13 0.00 2.58 0.00 0.00 58.73 61.56 1b4q h TYR 59 Cb 0.56 -0.03 -0.06 0.00 1.55 0.00 0.00 36.73 38.75 1b4q h TYR 59 CO -0.00 0.99 0.54 -0.07 -1.32 0.00 0.00 178.16 178.31 1b4q h LEU 60 N -0.51 0.61 0.22 2.82 3.38 0.16 -0.98 115.31 121.01 1b4q h LEU 60 Ca -0.04 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1b4q h LEU 60 Cb 1.08 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.74 1b4q h LEU 60 CO 0.06 0.33 -0.12 -0.61 0.09 0.00 0.00 178.44 178.19 1b4q h GLN 61 N 0.66 -0.31 0.08 1.13 5.75 -0.20 0.39 115.11 122.61 1b4q h GLN 61 Ca 0.41 0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 58.93 1b4q h GLN 61 Cb 0.65 0.07 0.00 0.00 1.07 0.00 0.00 27.48 29.27 1b4q h GLN 61 CO -0.17 -0.21 -0.04 0.37 -2.65 0.00 0.00 178.83 176.14 1b4q h GLN 62 N -0.32 -0.11 -0.14 1.69 4.15 -1.03 0.82 115.11 120.17 1b4q h GLN 62 Ca -0.03 0.01 -0.08 0.00 0.77 0.00 0.00 58.65 59.32 1b4q h GLN 62 Cb 0.26 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.96 1b4q h GLN 62 CO 0.04 0.11 -0.28 1.25 -1.93 0.00 0.00 178.83 178.01 1b4q h LEU 63 N -0.31 0.26 0.00 -2.39 6.46 -1.20 -3.40 115.31 114.73 1b4q h LEU 63 Ca -0.01 -0.08 0.00 0.00 -0.12 0.00 0.00 57.88 57.67 1b4q h LEU 63 Cb 0.26 -0.07 0.00 0.00 -0.73 0.00 0.00 40.66 40.12 1b4q h LEU 63 CO 0.02 0.54 0.00 0.35 -0.62 0.00 0.00 178.44 178.73 1b4q n THR 64 N -4.13 0.00 0.00 1.05 -2.24 0.14 -5.07 114.28 104.02 1b4q n THR 64 Ca -0.01 0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.92 1b4q n THR 64 Cb 0.39 -1.05 0.00 0.00 -2.10 0.00 0.00 70.33 67.57 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 2.81 3.14 3.73 3.38 0.00 0.28 -4.98 105.19 113.55 1b4q n GLY 65 Ca 0.00 -0.42 -0.35 0.00 0.00 0.00 0.00 46.02 45.25 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 3.56 -0.43 4.61 0.00 -1.26 -4.78 121.76 123.46 1b4q s ALA 66 Ca 0.00 -0.72 0.05 0.00 0.00 0.00 0.00 51.96 51.29 1b4q s ALA 66 Cb 0.00 -1.89 0.56 0.00 0.00 0.00 0.00 23.12 21.80 1b4q s ALA 66 CO 0.00 0.38 1.75 2.89 0.00 0.00 0.00 175.76 180.78 1b4q n ARG 67 N 2.82 2.29 -1.99 0.00 -4.01 -1.26 -4.34 116.66 110.17 1b4q n ARG 67 Ca -0.18 -3.20 -0.29 0.00 -1.04 0.00 0.00 57.85 53.14 1b4q n ARG 67 Cb 0.53 -2.09 0.07 0.00 -3.04 0.00 0.00 32.46 27.93 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 -3.66 2.68 -0.10 8.89 2.01 -1.26 -5.04 115.64 119.17 1b4q s THR 68 Ca 0.54 0.11 0.01 0.00 0.31 0.00 0.00 61.69 62.67 1b4q s THR 68 Cb 0.46 -3.20 -0.02 0.00 0.01 0.00 0.00 72.50 69.75 1b4q s THR 68 CO 0.05 -0.25 -0.13 -0.69 -0.69 0.00 0.00 174.62 172.91 1b4q s VAL 69 N -3.40 3.15 0.05 3.82 1.01 -1.26 -4.10 120.40 119.68 1b4q s VAL 69 Ca 0.60 -0.65 -0.01 0.00 0.00 0.00 0.00 61.98 61.92 1b4q s VAL 69 Cb -0.11 -2.29 0.01 0.00 0.00 0.00 0.00 36.38 33.99 1b4q s VAL 69 CO 0.49 0.55 0.07 -0.81 0.00 0.00 0.00 175.10 175.41 1b4q n PRO 70 N 2.97 0.24 -3.63 2.72 -0.04 -1.26 -4.34 135.00 131.66 1b4q n PRO 70 Ca -0.18 -0.15 -0.29 0.00 -0.04 0.00 0.00 63.50 62.84 1b4q n PRO 70 Cb 0.53 -0.07 -0.15 0.00 -0.04 0.00 0.00 33.50 33.76 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 -2.88 0.38 0.42 0.54 1.81 -0.21 -4.03 118.95 114.98 1b4q s ARG 71 Ca 0.05 -0.60 -0.03 0.00 -1.72 0.00 0.00 55.73 53.42 1b4q s ARG 71 Cb -0.00 -1.61 -0.04 0.00 -0.45 0.00 0.00 34.95 32.86 1b4q s ARG 71 CO 0.03 -0.91 0.69 0.08 -0.68 0.00 0.00 175.30 174.51 1b4q s VAL 72 N 1.94 4.98 -0.36 3.52 1.01 -1.07 -1.38 120.40 129.04 1b4q s VAL 72 Ca 0.07 -0.02 0.02 0.00 0.00 0.00 0.00 61.98 62.05 1b4q s VAL 72 Cb -0.16 -3.85 0.15 0.00 0.00 0.00 0.00 36.38 32.52 1b4q s VAL 72 CO -0.26 -0.69 0.33 -0.36 0.00 0.00 0.00 175.10 174.12 1b4q s PHE 73 N -2.53 -0.09 -0.31 5.22 0.08 -0.84 -3.69 117.98 115.83 1b4q s PHE 73 Ca 0.45 -0.96 -0.29 0.00 0.12 0.00 0.00 56.93 56.25 1b4q s PHE 73 Cb -0.10 -0.52 -0.01 0.00 -0.57 0.00 0.00 43.02 41.82 1b4q s PHE 73 CO 0.40 -0.94 1.49 0.42 -0.10 0.00 0.00 175.22 176.50 1b4q s ILE 74 N 1.41 3.85 0.00 0.64 1.09 -0.83 -3.40 121.20 123.96 1b4q s ILE 74 Ca 0.17 0.92 0.00 0.00 -1.10 0.00 0.00 60.65 60.64 1b4q s ILE 74 Cb -0.17 -3.96 0.00 0.00 -1.06 0.00 0.00 42.46 37.27 1b4q s ILE 74 CO -0.04 -0.49 0.00 0.61 -0.10 0.00 0.00 174.94 174.92 1b4q n GLY 75 N 4.77 0.94 0.16 6.18 0.00 0.79 -1.50 105.19 116.55 1b4q n GLY 75 Ca 0.18 -0.68 0.15 0.00 0.00 0.00 0.00 46.02 45.67 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 1.20 -3.05 1.61 4.76 -1.26 -4.43 118.16 116.99 1b4q n LYS 76 Ca 0.00 -0.32 -0.42 0.00 -2.87 0.00 0.00 58.31 54.70 1b4q n LYS 76 Cb 0.00 -1.49 -0.06 0.00 -1.84 0.00 0.00 35.03 31.64 1b4q n LYS 76 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1b4q s ASP 77 N -2.02 6.49 0.51 4.39 1.11 -0.56 -5.05 116.67 121.55 1b4q s ASP 77 Ca 0.44 0.28 -0.19 0.00 0.18 0.00 0.00 52.55 53.25 1b4q s ASP 77 Cb 0.22 -2.35 -0.07 0.00 1.07 0.00 0.00 42.92 41.78 1b4q s ASP 77 CO 0.36 -0.62 1.06 -0.55 1.18 0.00 0.00 175.17 176.60 1b4q s SER 78 N 1.78 6.12 -0.02 0.27 0.15 -1.26 -1.96 113.70 118.77 1b4q s SER 78 Ca 0.27 1.97 0.05 0.00 0.70 0.00 0.00 55.95 58.94 1b4q s SER 78 Cb -0.14 -2.56 -0.08 0.00 -1.71 0.00 0.00 66.02 61.53 1b4q s SER 78 CO 0.15 -0.94 0.09 2.30 1.20 0.00 0.00 173.24 176.04 1b4q n ILE 79 N -1.20 0.10 0.00 6.45 -5.35 -1.24 -4.88 119.36 113.25 1b4q n ILE 79 Ca 0.10 -0.15 0.00 0.00 -0.27 0.00 0.00 62.75 62.42 1b4q n ILE 79 Cb 0.52 0.01 0.00 0.00 -1.74 0.00 0.00 39.64 38.43 1b4q n ILE 79 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1b4q n GLY 80 N 2.34 0.47 0.00 3.28 0.00 -1.26 -4.73 105.19 105.28 1b4q n GLY 80 Ca -0.03 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.30 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 2.25 0.25 -0.02 0.00 -1.26 -2.60 105.19 103.82 1b4q n GLY 81 Ca 0.00 -1.88 -0.09 0.00 0.00 0.00 0.00 46.02 44.05 1b4q n GLY 81 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1b4q h SER 82 N 0.00 -0.48 -0.71 1.61 0.87 -1.80 -1.52 113.55 111.52 1b4q h SER 82 Ca 0.00 -0.01 0.21 0.00 -1.23 0.00 0.00 61.79 60.75 1b4q h SER 82 Cb 0.00 0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 62.06 1b4q h SER 82 CO 0.00 -0.05 0.64 -1.28 -0.53 0.00 0.00 176.83 175.62 1b4q h SER 83 N -1.13 0.00 -0.02 6.23 0.87 -1.94 0.32 113.55 117.88 1b4q h SER 83 Ca -0.06 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.42 1b4q h SER 83 Cb 0.46 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.43 1b4q h SER 83 CO 0.10 0.00 -0.30 0.44 -0.53 0.00 0.00 176.83 176.53 1b4q h ASP 84 N 0.00 0.29 0.53 6.23 5.19 -1.87 -3.08 116.42 123.71 1b4q h ASP 84 Ca 0.34 -0.74 -0.02 0.00 -0.62 0.00 0.00 57.03 56.00 1b4q h ASP 84 Cb 1.62 -0.09 -0.02 0.00 0.18 0.00 0.00 39.33 41.02 1b4q h ASP 84 CO -0.00 0.99 -0.50 0.25 -3.12 0.00 0.00 179.24 176.85 1b4q h LEU 85 N -0.37 -1.37 -0.57 1.55 6.46 0.69 -2.82 115.31 118.88 1b4q h LEU 85 Ca -0.03 0.11 0.12 0.00 -0.12 0.00 0.00 57.88 57.95 1b4q h LEU 85 Cb 1.02 0.45 -0.10 0.00 -0.73 0.00 0.00 40.66 41.30 1b4q h LEU 85 CO 0.06 -0.68 -0.06 -0.37 -0.62 0.00 0.00 178.44 176.77 1b4q h VAL 86 N -1.03 0.49 -0.94 1.05 -1.51 -1.49 0.14 116.25 112.96 1b4q h VAL 86 Ca -0.07 -0.02 0.21 0.00 -1.23 0.00 0.00 66.70 65.60 1b4q h VAL 86 Cb 0.88 0.42 -0.12 0.00 -2.13 0.00 0.00 31.29 30.35 1b4q h VAL 86 CO -0.05 0.01 0.50 -1.28 -1.23 0.00 0.00 177.57 175.52 1b4q h SER 87 N 0.06 0.55 0.05 4.19 0.87 -1.40 -0.77 113.55 117.08 1b4q h SER 87 Ca 0.29 0.13 -0.22 0.00 -1.23 0.00 0.00 61.79 60.76 1b4q h SER 87 Cb 0.45 0.06 0.01 0.00 -0.44 0.00 0.00 62.40 62.47 1b4q h SER 87 CO -0.53 0.11 -0.82 -0.07 -0.53 0.00 0.00 176.83 174.98 1b4q h LEU 88 N 0.55 0.76 0.91 2.23 3.38 -0.55 -2.96 115.31 119.64 1b4q h LEU 88 Ca 0.58 -0.53 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 1b4q h LEU 88 Cb 1.04 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 41.57 1b4q h LEU 88 CO -0.47 1.31 -0.44 -0.61 0.09 0.00 0.00 178.44 178.33 1b4q h GLN 89 N 0.41 -1.18 0.00 1.13 -0.00 0.02 0.26 115.11 115.74 1b4q h GLN 89 Ca -0.06 0.08 -0.00 0.00 -0.00 0.00 0.00 58.65 58.67 1b4q h GLN 89 Cb 1.44 0.27 -0.00 0.00 0.00 0.00 0.00 27.48 29.19 1b4q h GLN 89 CO 0.16 -0.79 -0.01 -0.56 0.00 0.00 0.00 178.83 177.63 1b4q h GLN 90 N -1.24 0.00 0.00 1.69 -0.00 -1.61 0.44 115.11 114.38 1b4q h GLN 90 Ca -0.13 0.00 -0.10 0.00 -0.00 0.00 0.00 58.65 58.42 1b4q h GLN 90 Cb 0.94 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.41 1b4q h GLN 90 CO 0.21 0.01 -0.53 0.77 -0.00 0.00 0.00 178.83 179.29 1b4q h SER 91 N 0.00 0.00 0.00 0.06 0.02 -1.23 -3.47 113.55 108.93 1b4q h SER 91 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1b4q h SER 91 Cb 0.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.57 1b4q h SER 91 CO 0.00 0.46 0.00 0.61 -1.14 0.00 0.00 176.83 176.76 1b4q n GLY 92 N 1.23 1.60 0.21 -3.77 0.00 0.85 -4.87 105.19 100.44 1b4q n GLY 92 Ca 0.01 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.11 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 2.95 0.00 0.54 1.61 4.57 -1.74 -3.05 114.58 119.46 1b4q h GLU 93 Ca 0.00 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.15 1b4q h GLU 93 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1b4q h GLU 93 CO 0.00 0.28 -0.28 1.25 -1.18 0.00 0.00 179.01 179.09 1b4q h LEU 94 N 0.00 -0.66 -1.89 1.64 5.85 -1.80 -0.36 115.31 118.08 1b4q h LEU 94 Ca -0.00 0.03 0.19 0.00 0.84 0.00 0.00 57.88 58.93 1b4q h LEU 94 Cb 0.65 0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.83 1b4q h LEU 94 CO 0.04 -0.46 0.50 0.17 -0.34 0.00 0.00 178.44 178.35 1b4q h LEU 95 N -0.75 0.10 -0.28 2.25 8.10 -1.84 0.39 115.31 123.27 1b4q h LEU 95 Ca -0.07 0.01 -0.02 0.00 0.11 0.00 0.00 57.88 57.90 1b4q h LEU 95 Cb 0.58 -0.01 -0.01 0.00 -0.44 0.00 0.00 40.66 40.78 1b4q h LEU 95 CO 0.11 0.05 0.10 0.74 -4.11 0.00 0.00 178.44 175.33 1b4q h THR 96 N 0.10 1.19 -0.86 0.15 2.02 -1.33 0.78 112.91 114.96 1b4q h THR 96 Ca 0.34 -0.59 0.03 0.00 0.77 0.00 0.00 66.41 66.96 1b4q h THR 96 Cb 1.21 1.05 -0.05 0.00 -1.74 0.00 0.00 68.15 68.63 1b4q h THR 96 CO -0.04 0.20 0.57 -0.09 0.37 0.00 0.00 175.52 176.53 1b4q h ARG 97 N 0.30 1.04 -0.18 6.66 9.65 0.15 0.40 114.38 132.39 1b4q h ARG 97 Ca 0.09 -0.06 -0.16 0.00 -1.10 0.00 0.00 59.98 58.75 1b4q h ARG 97 Cb 0.21 -0.23 -0.01 0.00 -1.39 0.00 0.00 29.97 28.55 1b4q h ARG 97 CO -0.01 0.69 -0.56 -0.07 2.80 0.00 0.00 179.97 182.83 1b4q h LEU 98 N 1.07 0.61 0.34 3.80 4.07 -0.57 -3.29 115.31 121.34 1b4q h LEU 98 Ca 0.34 -0.33 -0.02 0.00 0.08 0.00 0.00 57.88 57.95 1b4q h LEU 98 Cb 0.02 -0.18 0.00 0.00 1.08 0.00 0.00 40.66 41.59 1b4q h LEU 98 CO -0.10 1.04 -0.16 0.50 -1.08 0.00 0.00 178.44 178.64 1b4q h LYS 99 N 0.42 -0.43 -0.99 1.13 3.64 0.24 1.18 116.57 121.76 1b4q h LYS 99 Ca 0.01 0.03 0.26 0.00 -1.27 0.00 0.00 60.65 59.68 1b4q h LYS 99 Cb 1.10 0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 32.96 1b4q h LYS 99 CO 0.10 -0.13 0.67 -0.56 -2.27 0.00 0.00 179.45 177.27 1b4q h GLN 100 N -0.74 0.22 0.00 1.90 3.07 -1.10 0.23 115.11 118.68 1b4q h GLN 100 Ca -0.05 -0.01 0.00 0.00 0.09 0.00 0.00 58.65 58.68 1b4q h GLN 100 Cb 0.50 -0.05 0.00 0.00 0.08 0.00 0.00 27.48 28.01 1b4q h GLN 100 CO 0.08 0.14 -1.14 0.44 0.09 0.00 0.00 178.83 178.44 1b4q n ILE 101 N -4.42 0.00 -2.52 1.86 -5.35 -1.18 -4.98 119.36 102.77 1b4q n ILE 101 Ca 0.22 -0.07 -0.01 0.00 -0.27 0.00 0.00 62.75 62.61 1b4q n ILE 101 Cb 0.92 0.86 0.00 0.00 -1.74 0.00 0.00 39.64 39.67 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 1.46 0.86 0.16 3.28 0.00 0.12 -4.61 105.19 106.48 1b4q n GLY 102 Ca 0.03 -0.63 0.11 0.00 0.00 0.00 0.00 46.02 45.53 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 0.04 0.72 -5.18 4.61 0.00 0.93 -3.46 119.26 116.92 1b4q h ALA 103 Ca -0.02 -0.06 -0.29 0.00 0.00 0.00 0.00 54.91 54.54 1b4q h ALA 103 Cb 1.02 0.01 0.03 0.00 0.00 0.00 0.00 17.79 18.85 1b4q h ALA 103 CO 0.02 0.07 0.01 1.47 0.00 0.00 0.00 179.25 180.83 1b4q n LEU 104 N -2.89 0.00 0.00 0.00 -0.00 -1.24 -3.15 117.00 109.72 1b4q n LEU 104 Ca 0.01 -1.40 0.16 0.00 -0.00 0.00 0.00 56.01 54.79 1b4q n LEU 104 Cb 0.56 -0.33 0.95 0.00 -0.00 0.00 0.00 43.42 44.61 1b4q n LEU 104 CO 0.38 -0.71 1.11 0.00 -0.00 0.00 0.00 177.39 178.16