#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 7.27 -1.26 -4.13 117.38 119.26 1b4q n GLN 2 Ca 0.00 0.18 0.00 0.00 0.07 0.00 0.00 57.00 57.25 1b4q n GLN 2 Cb 0.00 -0.61 0.00 0.00 2.41 0.00 0.00 30.24 32.04 1b4q n GLN 2 CO 0.00 0.00 0.00 -0.85 0.07 0.00 0.00 177.06 176.28 1b4q n GLU 3 N -1.91 0.00 0.00 3.69 0.28 -1.26 -2.47 120.64 118.97 1b4q n GLU 3 Ca 0.00 0.42 0.00 0.00 -0.16 0.00 0.00 57.16 57.42 1b4q n GLU 3 Cb 0.00 -1.54 0.00 0.00 1.43 0.00 0.00 31.44 31.33 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 -1.41 0.00 -0.02 -1.84 3.01 -1.26 -1.76 117.46 114.18 1b4q n PHE 4 Ca 0.00 0.00 -0.18 0.00 1.01 0.00 0.00 57.45 58.28 1b4q n PHE 4 Cb 0.04 -0.35 -0.08 0.00 -0.01 0.00 0.00 39.48 39.08 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 -0.28 -4.37 -1.51 -1.72 -3.10 116.25 106.55 1b4q h VAL 5 Ca 0.00 -1.98 0.08 0.00 -1.23 0.00 0.00 66.70 63.58 1b4q h VAL 5 Cb 0.00 2.02 -0.01 0.00 -2.13 0.00 0.00 31.29 31.17 1b4q h VAL 5 CO 0.00 0.62 0.26 0.78 -1.23 0.00 0.00 177.57 178.00 1b4q h ASN 6 N 0.50 0.00 1.35 4.19 2.35 -1.61 0.94 115.58 123.30 1b4q h ASN 6 Ca -0.06 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.67 1b4q h ASN 6 Cb 1.41 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.78 1b4q h ASN 6 CO 0.16 0.00 -0.12 0.28 -1.65 0.00 0.00 177.43 176.10 1b4q h SER 7 N 0.00 0.00 0.01 5.81 0.02 -1.26 -3.34 113.55 114.80 1b4q h SER 7 Ca 0.13 0.00 -0.40 0.00 -0.84 0.00 0.00 61.79 60.69 1b4q h SER 7 Cb 0.65 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.13 1b4q h SER 7 CO -0.00 0.12 -2.30 0.29 -1.14 0.00 0.00 176.83 173.80 1b4q n LYS 8 N -3.19 0.63 -2.53 3.45 4.01 0.23 -4.91 118.16 115.85 1b4q n LYS 8 Ca 0.02 0.26 -0.42 0.00 -0.51 0.00 0.00 58.31 57.66 1b4q n LYS 8 Cb 0.46 -1.56 -0.03 0.00 -0.51 0.00 0.00 35.03 33.39 1b4q n LYS 8 CO 0.00 0.00 0.00 0.96 -1.11 0.00 0.00 177.40 177.25 1b4q s ILE 9 N -2.50 4.35 0.02 -0.18 -4.36 -0.64 -4.90 121.20 113.00 1b4q s ILE 9 Ca -0.34 1.69 -0.10 0.00 -0.26 0.00 0.00 60.65 61.63 1b4q s ILE 9 Cb 0.11 -4.08 0.01 0.00 1.25 0.00 0.00 42.46 39.74 1b4q s ILE 9 CO 0.57 0.11 0.20 -1.10 0.24 0.00 0.00 174.94 174.97 1b4q s GLN 10 N 1.20 0.65 0.02 0.37 -0.21 -1.26 -4.83 119.66 115.60 1b4q s GLN 10 Ca 0.56 -0.51 -0.33 0.00 0.02 0.00 0.00 55.36 55.10 1b4q s GLN 10 Cb -0.26 0.27 -0.11 0.00 1.00 0.00 0.00 33.01 33.91 1b4q s GLN 10 CO 0.28 -0.18 1.84 -2.30 -2.12 0.00 0.00 175.29 172.81 1b4q n PRO 11 N 0.93 2.44 -1.15 2.91 -0.02 -1.26 -1.06 135.00 137.80 1b4q n PRO 11 Ca -0.20 0.89 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 1b4q n PRO 11 Cb 0.58 -2.76 0.00 0.00 -0.02 0.00 0.00 33.50 31.30 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 4.23 0.59 2.83 -1.23 0.00 -1.26 -4.98 105.19 105.37 1b4q n GLY 12 Ca 0.20 -0.81 -0.14 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.38 0.08 -0.12 1.61 2.20 -0.22 -4.68 119.74 116.24 1b4q s LYS 13 Ca 0.00 0.06 -0.04 0.00 -0.36 0.00 0.00 55.97 55.63 1b4q s LYS 13 Cb 0.00 -0.21 -0.04 0.00 -1.51 0.00 0.00 37.83 36.07 1b4q s LYS 13 CO 0.00 -0.08 0.04 0.08 -0.36 0.00 0.00 175.35 175.03 1b4q s VAL 14 N 0.56 4.62 0.03 4.02 1.01 -0.54 -1.05 120.40 129.05 1b4q s VAL 14 Ca -0.05 -0.12 -0.08 0.00 0.00 0.00 0.00 61.98 61.73 1b4q s VAL 14 Cb -0.07 -2.99 0.00 0.00 0.00 0.00 0.00 36.38 33.31 1b4q s VAL 14 CO -0.01 0.57 0.16 0.54 0.00 0.00 0.00 175.10 176.36 1b4q s VAL 15 N -0.59 0.10 -0.09 2.92 0.11 -1.23 -2.61 120.40 119.01 1b4q s VAL 15 Ca 0.10 -0.86 -0.00 0.00 -2.93 0.00 0.00 61.98 58.29 1b4q s VAL 15 Cb -0.12 -0.74 0.02 0.00 -1.53 0.00 0.00 36.38 34.01 1b4q s VAL 15 CO 0.02 -0.47 -0.05 -0.69 -3.33 0.00 0.00 175.10 170.58 1b4q s VAL 16 N -2.15 0.77 -0.23 2.04 1.01 -0.83 -2.08 120.40 118.93 1b4q s VAL 16 Ca -0.09 -0.15 -0.21 0.00 0.00 0.00 0.00 61.98 61.54 1b4q s VAL 16 Cb -0.03 -0.83 -0.02 0.00 0.00 0.00 0.00 36.38 35.50 1b4q s VAL 16 CO -0.02 0.32 0.65 -0.36 0.00 0.00 0.00 175.10 175.69 1b4q s PHE 17 N 1.65 3.31 0.00 5.22 0.40 -0.57 0.19 117.98 128.18 1b4q s PHE 17 Ca 0.02 0.89 0.00 0.00 -0.60 0.00 0.00 56.93 57.24 1b4q s PHE 17 Cb -0.13 -2.85 0.00 0.00 0.51 0.00 0.00 43.02 40.55 1b4q s PHE 17 CO -0.06 -0.29 0.00 0.44 0.70 0.00 0.00 175.22 176.02 1b4q n ILE 18 N 5.04 0.00 -3.42 0.64 -5.35 -0.20 -1.18 119.36 114.89 1b4q n ILE 18 Ca -0.00 0.00 -0.20 0.00 -0.27 0.00 0.00 62.75 62.28 1b4q n ILE 18 Cb 0.49 0.00 -0.10 0.00 -1.74 0.00 0.00 39.64 38.29 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 -1.45 0.40 -0.31 6.28 1.02 -1.26 -2.80 119.74 121.62 1b4q s LYS 19 Ca 0.00 -0.49 -0.17 0.00 0.02 0.00 0.00 55.97 55.32 1b4q s LYS 19 Cb 0.00 -0.81 -0.19 0.00 -0.52 0.00 0.00 37.83 36.31 1b4q s LYS 19 CO 0.00 -1.09 1.39 -2.30 -0.92 0.00 0.00 175.35 172.43 1b4q n PRO 20 N 4.91 0.03 0.00 -1.68 -0.02 -1.26 -2.00 135.00 134.98 1b4q n PRO 20 Ca 0.02 -0.79 0.00 0.00 -2.02 0.00 0.00 63.50 60.71 1b4q n PRO 20 Cb 0.44 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 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 6.36 0.00 -3.57 3.45 -1.04 -1.26 -5.11 114.28 113.11 1b4q n THR 21 Ca 0.26 0.00 -0.36 0.00 -2.04 0.00 0.00 64.05 61.91 1b4q n THR 21 Cb 0.41 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 68.85 1b4q n THR 21 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1b4q n PRO 23 N 3.81 0.10 -0.04 0.00 -0.02 -1.26 -2.58 135.00 135.02 1b4q n PRO 23 Ca -0.13 0.58 -0.14 0.00 -2.02 0.00 0.00 63.50 61.79 1b4q n PRO 23 Cb 0.52 -1.81 -0.09 0.00 -0.02 0.00 0.00 33.50 32.10 1b4q n PRO 23 CO 0.00 0.00 0.00 1.88 1.98 0.00 0.00 175.50 179.36 1b4q h TYR 24 N 0.00 0.28 0.00 6.00 -1.99 -1.92 -2.91 116.97 116.42 1b4q h TYR 24 Ca 0.00 -0.10 -0.03 0.00 2.00 0.00 0.00 58.73 60.60 1b4q h TYR 24 Cb 0.03 -0.05 -0.00 0.00 2.00 0.00 0.00 36.73 38.70 1b4q h TYR 24 CO 0.00 0.73 -0.13 1.03 -0.00 0.00 0.00 178.16 179.79 1b4q h SER 25 N -0.26 0.00 -0.68 3.88 0.87 -1.71 -1.69 113.55 113.96 1b4q h SER 25 Ca 0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 1b4q h SER 25 Cb 0.72 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.64 1b4q h SER 25 CO 0.03 0.13 0.39 0.03 -0.53 0.00 0.00 176.83 176.89 1b4q h ARG 26 N 0.00 0.94 -0.35 2.24 2.47 -1.56 -1.86 114.38 116.26 1b4q h ARG 26 Ca -0.00 -0.10 0.06 0.00 -1.26 0.00 0.00 59.98 58.68 1b4q h ARG 26 Cb 0.26 -0.19 -0.06 0.00 -1.65 0.00 0.00 29.97 28.33 1b4q h ARG 26 CO 0.02 0.69 -0.01 0.00 0.56 0.00 0.00 179.97 181.23 1b4q h ARG 27 N 0.94 0.08 -0.79 0.04 3.08 -1.12 0.46 114.38 117.07 1b4q h ARG 27 Ca 0.24 -0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.33 1b4q h ARG 27 Cb 0.01 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 29.99 1b4q h ARG 27 CO -0.04 0.05 0.52 0.00 -1.07 0.00 0.00 179.97 179.43 1b4q h ALA 28 N 1.31 1.55 -0.27 0.04 0.00 -1.36 0.27 119.26 120.80 1b4q h ALA 28 Ca 0.17 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.91 1b4q h ALA 28 Cb 0.24 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1b4q h ALA 28 CO -0.30 0.36 -0.37 1.96 0.00 0.00 0.00 179.25 180.90 1b4q h GLN 29 N 0.94 0.72 -0.29 0.00 4.20 -0.18 -1.62 115.11 118.89 1b4q h GLN 29 Ca 0.32 -0.42 -0.15 0.00 0.06 0.00 0.00 58.65 58.47 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 -0.10 1.04 -0.41 0.93 -0.67 0.00 0.00 178.83 179.62 1b4q h GLU 30 N 0.46 0.70 0.11 1.46 5.08 0.69 -2.30 114.58 120.77 1b4q h GLU 30 Ca 0.03 -0.37 -0.01 0.00 -1.00 0.00 0.00 59.36 58.02 1b4q h GLU 30 Cb 0.96 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.22 1b4q h GLU 30 CO 0.09 0.98 -0.05 0.97 -1.00 0.00 0.00 179.01 179.99 1b4q h ILE 31 N 0.57 0.38 -0.21 3.13 -0.00 -0.51 -3.24 117.51 117.62 1b4q h ILE 31 Ca 0.04 -1.12 0.06 0.00 -0.00 0.00 0.00 64.86 63.84 1b4q h ILE 31 Cb 0.95 0.68 -0.01 0.00 -0.00 0.00 0.00 36.82 38.44 1b4q h ILE 31 CO 0.09 0.12 0.28 -0.07 -0.00 0.00 0.00 178.15 178.56 1b4q h LEU 32 N -1.01 0.00 -1.63 2.19 3.38 -1.41 0.59 115.31 117.42 1b4q h LEU 32 Ca -0.01 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 1b4q h LEU 32 Cb 0.30 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1b4q h LEU 32 CO 0.02 0.00 -0.21 0.28 0.09 0.00 0.00 178.44 178.63 1b4q h SER 33 N 0.00 0.00 -0.16 -0.43 0.02 -1.44 -1.14 113.55 110.41 1b4q h SER 33 Ca 0.10 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 1b4q h SER 33 Cb 0.66 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.20 1b4q h SER 33 CO -0.00 0.21 0.00 0.00 -1.14 0.00 0.00 176.83 175.90 1b4q n GLN 34 N -3.99 1.80 -3.33 3.45 1.13 0.20 -4.86 117.38 111.79 1b4q n GLN 34 Ca -0.02 -1.20 -0.38 0.00 -1.94 0.00 0.00 57.00 53.46 1b4q n GLN 34 Cb 0.29 -1.42 -0.06 0.00 0.11 0.00 0.00 30.24 29.16 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 -1.63 4.31 -0.46 1.08 1.43 -0.43 -4.94 118.68 118.03 1b4q s LEU 35 Ca 0.33 0.85 -0.14 0.00 -1.03 0.00 0.00 54.13 54.15 1b4q s LEU 35 Cb 0.18 -2.70 -0.13 0.00 0.03 0.00 0.00 46.19 43.58 1b4q s LEU 35 CO 0.28 0.05 1.67 -0.81 0.23 0.00 0.00 176.35 177.77 1b4q n PRO 36 N 3.39 0.97 -2.94 1.29 -0.04 -1.26 -4.89 135.00 131.53 1b4q n PRO 36 Ca -0.08 -1.22 -0.33 0.00 -0.04 0.00 0.00 63.50 61.83 1b4q n PRO 36 Cb 0.52 -2.46 -0.07 0.00 -0.04 0.00 0.00 33.50 31.45 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 4.96 4.48 0.49 0.52 -1.09 -1.26 -2.47 121.20 126.83 1b4q s ILE 37 Ca 0.40 1.34 -0.07 0.00 -2.23 0.00 0.00 60.65 60.08 1b4q s ILE 37 Cb 0.10 -3.66 0.11 0.00 -1.58 0.00 0.00 42.46 37.42 1b4q s ILE 37 CO 0.09 -0.19 0.25 0.29 -1.23 0.00 0.00 174.94 174.14 1b4q n LYS 38 N -0.34 -1.48 0.00 2.79 4.76 -1.12 -4.79 118.16 117.99 1b4q n LYS 38 Ca 0.05 -0.42 0.00 0.00 -2.87 0.00 0.00 58.31 55.07 1b4q n LYS 38 Cb 0.53 -0.69 0.00 0.00 -1.84 0.00 0.00 35.03 33.04 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 -1.98 0.00 -0.40 1.97 3.00 -1.26 -3.81 117.38 114.90 1b4q n GLN 39 Ca 0.04 0.00 -0.04 0.00 -0.01 0.00 0.00 57.00 56.99 1b4q n GLN 39 Cb 0.17 0.00 -0.06 0.00 0.00 0.00 0.00 30.24 30.35 1b4q n GLN 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1b4q n GLY 40 N 0.00 1.79 0.01 1.08 0.00 -1.26 -3.73 105.19 103.07 1b4q n GLY 40 Ca 0.00 -0.44 0.10 0.00 0.00 0.00 0.00 46.02 45.69 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 2.61 0.17 -4.55 0.99 7.94 -1.25 -4.88 117.00 118.04 1b4q n LEU 41 Ca 0.16 -0.09 -0.35 0.00 -1.11 0.00 0.00 56.01 54.62 1b4q n LEU 41 Cb 0.37 0.00 -0.11 0.00 0.53 0.00 0.00 43.42 44.21 1b4q n LEU 41 CO 0.16 0.04 -0.28 -0.22 -1.11 0.00 0.00 177.39 175.98 1b4q s LEU 42 N -4.20 3.58 0.13 -1.96 2.96 -1.24 -1.46 118.68 116.48 1b4q s LEU 42 Ca -0.05 -0.06 -0.01 0.00 -0.22 0.00 0.00 54.13 53.79 1b4q s LEU 42 Cb 0.14 -1.91 -0.04 0.00 0.50 0.00 0.00 46.19 44.87 1b4q s LEU 42 CO 0.87 0.10 0.06 -0.70 -1.32 0.00 0.00 176.35 175.36 1b4q s GLU 43 N 0.78 0.92 -0.18 1.98 2.12 -1.07 -5.02 118.70 118.21 1b4q s GLU 43 Ca 0.02 -1.41 0.00 0.00 0.36 0.00 0.00 54.97 53.95 1b4q s GLU 43 Cb -0.14 0.25 0.04 0.00 0.26 0.00 0.00 34.13 34.54 1b4q s GLU 43 CO 0.02 -0.26 -0.08 -0.06 -0.54 0.00 0.00 175.26 174.34 1b4q s PHE 44 N -4.04 2.09 -0.56 5.30 0.08 -1.26 -1.96 117.98 117.64 1b4q s PHE 44 Ca 0.23 -1.36 -0.19 0.00 0.12 0.00 0.00 56.93 55.73 1b4q s PHE 44 Cb 0.07 -1.49 0.09 0.00 -0.57 0.00 0.00 43.02 41.12 1b4q s PHE 44 CO 0.01 -0.69 0.66 0.08 -0.10 0.00 0.00 175.22 175.18 1b4q s VAL 45 N 1.50 4.86 -0.73 -0.44 1.01 0.51 -4.89 120.40 122.21 1b4q s VAL 45 Ca -0.00 -0.84 -0.27 0.00 0.00 0.00 0.00 61.98 60.87 1b4q s VAL 45 Cb -0.16 -4.41 0.03 0.00 0.00 0.00 0.00 36.38 31.85 1b4q s VAL 45 CO -0.08 -0.99 1.26 -1.81 0.00 0.00 0.00 175.10 173.48 1b4q s ASP 46 N 3.28 6.16 0.00 3.32 1.01 -1.26 -1.04 116.67 128.14 1b4q s ASP 46 Ca 0.12 -0.47 0.01 0.00 0.71 0.00 0.00 52.55 52.92 1b4q s ASP 46 Cb -0.23 -2.55 0.09 0.00 1.01 0.00 0.00 42.92 41.24 1b4q s ASP 46 CO 0.08 -1.82 0.48 2.30 0.21 0.00 0.00 175.17 176.42 1b4q n ILE 47 N 6.36 0.00 0.05 0.77 -5.35 -1.12 -0.88 119.36 119.18 1b4q n ILE 47 Ca 0.03 0.00 0.11 0.00 -0.27 0.00 0.00 62.75 62.61 1b4q n ILE 47 Cb 0.49 -0.86 -0.08 0.00 -1.74 0.00 0.00 39.64 37.45 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 -0.88 0.35 1.34 7.28 5.66 -1.26 -3.51 114.28 123.26 1b4q n THR 48 Ca 0.01 -0.53 0.00 0.00 -3.05 0.00 0.00 64.05 60.48 1b4q n THR 48 Cb 0.00 -0.19 0.00 0.00 -1.55 0.00 0.00 70.33 68.60 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 -2.23 2.30 -0.02 1.79 0.00 -0.06 -3.03 120.51 119.26 1b4q n ALA 49 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1b4q n ALA 49 Cb 0.57 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.02 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 -0.28 0.00 -1.59 0.00 5.66 -1.25 -5.11 114.28 111.71 1b4q n THR 50 Ca 0.00 0.00 0.01 0.00 -3.05 0.00 0.00 64.05 61.01 1b4q n THR 50 Cb 0.08 0.51 -0.00 0.00 -1.55 0.00 0.00 70.33 69.37 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 0.00 -0.39 -2.43 1.09 3.02 -1.17 -4.91 115.26 110.47 1b4q n ASN 51 Ca 0.00 0.05 -0.19 0.00 -0.03 0.00 0.00 54.58 54.41 1b4q n ASN 51 Cb 0.00 -0.14 -0.01 0.00 -0.61 0.00 0.00 39.78 39.02 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 -0.76 -1.14 -0.24 3.10 8.25 -1.26 -4.84 115.22 118.33 1b4q n HIS 52 Ca 0.00 0.02 -0.04 0.00 -0.26 0.00 0.00 57.72 57.43 1b4q n HIS 52 Cb 0.02 -3.68 0.01 0.00 1.12 0.00 0.00 29.99 27.46 1b4q n HIS 52 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 1b4q h THR 53 N -0.04 0.14 -0.89 1.59 1.35 -1.91 0.32 112.91 113.46 1b4q h THR 53 Ca -0.45 0.00 0.14 0.00 -0.55 0.00 0.00 66.41 65.55 1b4q h THR 53 Cb 1.33 0.14 -0.07 0.00 -1.73 0.00 0.00 68.15 67.82 1b4q h THR 53 CO 0.53 0.00 0.58 0.78 -0.25 0.00 0.00 175.52 177.15 1b4q h ASN 54 N -0.13 0.67 -0.30 5.36 2.35 -1.94 -1.24 115.58 120.36 1b4q h ASN 54 Ca 0.25 0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 56.03 1b4q h ASN 54 Cb 0.56 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.82 1b4q h ASN 54 CO -0.74 0.34 0.15 -0.33 -1.65 0.00 0.00 177.43 175.20 1b4q h GLU 55 N 0.71 0.42 0.41 0.81 3.07 -0.73 0.64 114.58 119.91 1b4q h GLU 55 Ca 0.45 -0.06 -0.02 0.00 -0.50 0.00 0.00 59.36 59.23 1b4q h GLU 55 Cb 0.70 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.53 1b4q h GLU 55 CO -0.21 0.40 -0.20 0.82 -1.40 0.00 0.00 179.01 178.42 1b4q h ILE 56 N 0.35 0.53 -0.97 3.13 5.03 -0.83 -1.11 117.51 123.63 1b4q h ILE 56 Ca 0.10 -0.47 0.08 0.00 -0.12 0.00 0.00 64.86 64.45 1b4q h ILE 56 Cb 0.11 0.74 -0.07 0.00 -3.03 0.00 0.00 36.82 34.56 1b4q h ILE 56 CO -0.01 0.08 0.62 1.56 -0.68 0.00 0.00 178.15 179.71 1b4q h GLN 57 N -0.85 1.06 -0.63 2.37 4.20 -1.24 1.00 115.11 121.03 1b4q h GLN 57 Ca -0.06 -0.06 0.14 0.00 0.06 0.00 0.00 58.65 58.73 1b4q h GLN 57 Cb 0.55 -0.24 -0.04 0.00 0.30 0.00 0.00 27.48 28.05 1b4q h GLN 57 CO 0.09 0.70 0.43 -0.44 -0.67 0.00 0.00 178.83 178.94 1b4q h ASP 58 N 1.09 0.24 0.04 1.46 5.19 0.48 0.49 116.42 125.41 1b4q h ASP 58 Ca 0.43 0.01 -0.07 0.00 -0.62 0.00 0.00 57.03 56.79 1b4q h ASP 58 Cb 0.23 -0.04 0.01 0.00 0.18 0.00 0.00 39.33 39.71 1b4q h ASP 58 CO -0.19 0.13 -0.28 0.22 -3.12 0.00 0.00 179.24 176.00 1b4q h TYR 59 N 0.26 0.21 -0.71 4.55 3.20 0.21 -3.17 116.97 121.52 1b4q h TYR 59 Ca 0.30 -0.14 0.15 0.00 3.14 0.00 0.00 58.73 62.17 1b4q h TYR 59 Cb 0.82 -0.01 -0.04 0.00 1.54 0.00 0.00 36.73 39.03 1b4q h TYR 59 CO -0.00 1.06 0.48 -0.07 -1.64 0.00 0.00 178.16 177.99 1b4q h LEU 60 N -0.70 0.33 0.53 2.82 3.38 0.15 -0.75 115.31 121.08 1b4q h LEU 60 Ca -0.05 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 1b4q h LEU 60 Cb 1.17 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.87 1b4q h LEU 60 CO 0.05 0.18 -0.29 -0.61 0.09 0.00 0.00 178.44 177.86 1b4q h GLN 61 N 0.36 -0.73 0.03 1.13 5.75 -0.10 0.34 115.11 121.88 1b4q h GLN 61 Ca 0.35 0.05 -0.00 0.00 -0.15 0.00 0.00 58.65 58.90 1b4q h GLN 61 Cb 0.85 0.17 0.00 0.00 1.07 0.00 0.00 27.48 29.57 1b4q h GLN 61 CO -0.10 -0.49 -0.01 0.37 -2.65 0.00 0.00 178.83 175.95 1b4q h GLN 62 N -0.76 -0.04 -0.39 1.69 4.15 -1.28 0.95 115.11 119.43 1b4q h GLN 62 Ca -0.07 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.32 1b4q h GLN 62 Cb 0.60 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.28 1b4q h GLN 62 CO 0.09 0.30 0.08 1.25 -1.93 0.00 0.00 178.83 178.62 1b4q h LEU 63 N -0.37 0.54 0.00 -2.39 6.46 -1.18 -3.39 115.31 114.97 1b4q h LEU 63 Ca -0.00 -0.08 0.00 0.00 -0.12 0.00 0.00 57.88 57.68 1b4q h LEU 63 Cb 0.35 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 40.14 1b4q h LEU 63 CO 0.01 0.55 0.00 0.35 -0.62 0.00 0.00 178.44 178.73 1b4q n THR 64 N -4.32 0.00 0.00 1.05 -2.24 0.12 -5.04 114.28 103.85 1b4q n THR 64 Ca 0.02 0.22 0.00 0.00 -2.27 0.00 0.00 64.05 62.02 1b4q n THR 64 Cb 0.20 -1.21 0.00 0.00 -2.10 0.00 0.00 70.33 67.22 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 2.61 3.68 3.87 3.38 0.00 0.33 -4.98 105.19 114.08 1b4q n GLY 65 Ca 0.00 -0.54 -0.37 0.00 0.00 0.00 0.00 46.02 45.11 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 3.84 -0.25 4.61 0.00 -1.26 -4.73 121.76 123.96 1b4q s ALA 66 Ca 0.00 -0.54 0.12 0.00 0.00 0.00 0.00 51.96 51.55 1b4q s ALA 66 Cb 0.00 -2.08 0.56 0.00 0.00 0.00 0.00 23.12 21.60 1b4q s ALA 66 CO 0.00 0.59 1.51 2.89 0.00 0.00 0.00 175.76 180.75 1b4q n ARG 67 N 1.87 2.60 -1.91 0.00 -4.01 -1.26 -4.19 116.66 109.76 1b4q n ARG 67 Ca -0.18 -3.01 -0.29 0.00 -1.04 0.00 0.00 57.85 53.33 1b4q n ARG 67 Cb 0.54 -1.90 0.14 0.00 -3.04 0.00 0.00 32.46 28.20 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 -3.02 2.00 -0.07 8.89 2.01 -1.26 -5.01 115.64 119.17 1b4q s THR 68 Ca 0.45 0.00 0.05 0.00 0.31 0.00 0.00 61.69 62.50 1b4q s THR 68 Cb 0.38 -3.00 -0.01 0.00 0.01 0.00 0.00 72.50 69.89 1b4q s THR 68 CO 0.06 0.00 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.08 1b4q s VAL 69 N -3.74 2.29 0.00 3.82 1.01 -1.26 -4.26 120.40 118.27 1b4q s VAL 69 Ca 0.68 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 61.69 1b4q s VAL 69 Cb -0.07 -1.86 0.00 0.00 0.00 0.00 0.00 36.38 34.44 1b4q s VAL 69 CO 0.51 0.57 0.00 -0.81 0.00 0.00 0.00 175.10 175.37 1b4q n PRO 70 N 3.04 0.66 -3.35 2.72 -0.04 -1.26 -4.43 135.00 132.34 1b4q n PRO 70 Ca -0.18 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.13 1b4q n PRO 70 Cb 0.52 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.91 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 -1.10 0.61 0.49 0.54 1.81 -0.32 -4.38 118.95 116.60 1b4q s ARG 71 Ca 0.00 -0.70 -0.09 0.00 -1.72 0.00 0.00 55.73 53.22 1b4q s ARG 71 Cb 0.00 -0.64 -0.05 0.00 -0.45 0.00 0.00 34.95 33.81 1b4q s ARG 71 CO 0.00 -1.17 0.85 0.08 -0.68 0.00 0.00 175.30 174.38 1b4q s VAL 72 N 1.60 4.79 -0.38 3.52 1.01 -1.09 -1.52 120.40 128.34 1b4q s VAL 72 Ca 0.16 0.58 0.03 0.00 0.00 0.00 0.00 61.98 62.74 1b4q s VAL 72 Cb -0.14 -3.81 0.15 0.00 0.00 0.00 0.00 36.38 32.58 1b4q s VAL 72 CO -0.08 -0.80 0.34 -0.36 0.00 0.00 0.00 175.10 174.21 1b4q s PHE 73 N -2.71 0.12 -0.37 5.22 0.08 -0.88 -3.53 117.98 115.90 1b4q s PHE 73 Ca 0.51 -1.25 -0.28 0.00 0.12 0.00 0.00 56.93 56.03 1b4q s PHE 73 Cb -0.10 -0.58 -0.01 0.00 -0.57 0.00 0.00 43.02 41.76 1b4q s PHE 73 CO 0.41 -0.93 1.64 0.42 -0.10 0.00 0.00 175.22 176.66 1b4q s ILE 74 N 1.11 3.65 0.00 0.64 1.09 -1.02 -3.56 121.20 123.11 1b4q s ILE 74 Ca 0.20 0.66 0.00 0.00 -1.10 0.00 0.00 60.65 60.41 1b4q s ILE 74 Cb -0.14 -3.89 0.00 0.00 -1.06 0.00 0.00 42.46 37.36 1b4q s ILE 74 CO -0.04 -0.58 0.00 0.61 -0.10 0.00 0.00 174.94 174.84 1b4q n GLY 75 N 5.29 0.37 0.22 6.18 0.00 -0.22 -2.23 105.19 114.79 1b4q n GLY 75 Ca 0.20 -0.87 0.15 0.00 0.00 0.00 0.00 46.02 45.50 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 1.30 -3.02 1.61 5.02 -1.26 -4.44 118.16 117.38 1b4q n LYS 76 Ca 0.00 -0.44 -0.42 0.00 -2.02 0.00 0.00 58.31 55.43 1b4q n LYS 76 Cb 0.00 -1.48 -0.06 0.00 -0.02 0.00 0.00 35.03 33.47 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 -1.98 6.52 0.51 4.39 1.11 -0.95 -5.04 116.67 121.23 1b4q s ASP 77 Ca 0.43 0.31 -0.20 0.00 0.18 0.00 0.00 52.55 53.27 1b4q s ASP 77 Cb 0.21 -2.37 -0.07 0.00 1.07 0.00 0.00 42.92 41.76 1b4q s ASP 77 CO 0.35 -0.66 1.10 -0.55 1.18 0.00 0.00 175.17 176.59 1b4q s SER 78 N 1.79 6.02 -0.02 0.27 0.15 -1.26 -2.44 113.70 118.20 1b4q s SER 78 Ca 0.29 2.10 0.05 0.00 0.70 0.00 0.00 55.95 59.09 1b4q s SER 78 Cb -0.14 -2.58 -0.08 0.00 -1.71 0.00 0.00 66.02 61.52 1b4q s SER 78 CO 0.15 -1.01 0.09 2.30 1.20 0.00 0.00 173.24 175.97 1b4q n ILE 79 N -1.05 0.11 0.00 6.45 -5.35 -1.23 -4.89 119.36 113.40 1b4q n ILE 79 Ca 0.10 -0.15 0.00 0.00 -0.27 0.00 0.00 62.75 62.43 1b4q n ILE 79 Cb 0.51 -0.02 0.00 0.00 -1.74 0.00 0.00 39.64 38.39 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 2.35 0.44 0.00 3.28 0.00 -1.26 -4.75 105.19 105.25 1b4q n GLY 80 Ca -0.03 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.49 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 3.70 0.24 -0.02 0.00 -1.26 -2.68 105.19 105.16 1b4q n GLY 81 Ca 0.00 -1.74 -0.08 0.00 0.00 0.00 0.00 46.02 44.19 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 -0.46 -0.44 1.61 0.87 -1.80 -1.72 113.55 111.60 1b4q h SER 82 Ca 0.00 0.02 0.13 0.00 -1.23 0.00 0.00 61.79 60.70 1b4q h SER 82 Cb 0.00 0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.06 1b4q h SER 82 CO 0.00 -0.08 0.45 -1.28 -0.53 0.00 0.00 176.83 175.38 1b4q h SER 83 N -1.03 0.00 -0.03 6.23 0.87 -1.96 0.26 113.55 117.90 1b4q h SER 83 Ca -0.06 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.47 1b4q h SER 83 Cb 0.42 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.38 1b4q h SER 83 CO 0.09 0.00 -0.13 0.44 -0.53 0.00 0.00 176.83 176.70 1b4q h ASP 84 N 0.00 0.16 0.44 6.23 5.19 -1.88 -2.73 116.42 123.83 1b4q h ASP 84 Ca 0.21 -0.67 -0.01 0.00 -0.62 0.00 0.00 57.03 55.94 1b4q h ASP 84 Cb 1.10 -0.05 -0.02 0.00 0.18 0.00 0.00 39.33 40.54 1b4q h ASP 84 CO -0.00 0.80 -0.47 0.25 -3.12 0.00 0.00 179.24 176.70 1b4q h LEU 85 N -0.47 -1.29 -0.51 1.55 6.46 -0.00 -2.27 115.31 118.78 1b4q h LEU 85 Ca -0.01 0.10 0.10 0.00 -0.12 0.00 0.00 57.88 57.96 1b4q h LEU 85 Cb 0.80 0.43 -0.09 0.00 -0.73 0.00 0.00 40.66 41.07 1b4q h LEU 85 CO 0.03 -0.61 -0.08 -0.37 -0.62 0.00 0.00 178.44 176.79 1b4q h VAL 86 N -0.92 0.53 -0.94 1.05 -1.51 -1.55 0.19 116.25 113.10 1b4q h VAL 86 Ca -0.06 -0.01 0.21 0.00 -1.23 0.00 0.00 66.70 65.61 1b4q h VAL 86 Cb 0.80 0.48 -0.12 0.00 -2.13 0.00 0.00 31.29 30.33 1b4q h VAL 86 CO -0.07 0.01 0.50 -1.28 -1.23 0.00 0.00 177.57 175.50 1b4q h SER 87 N 0.04 0.56 0.24 4.19 0.87 -1.17 -0.06 113.55 118.21 1b4q h SER 87 Ca 0.25 0.13 -0.23 0.00 -1.23 0.00 0.00 61.79 60.71 1b4q h SER 87 Cb 0.39 0.05 0.01 0.00 -0.44 0.00 0.00 62.40 62.40 1b4q h SER 87 CO -0.49 0.12 -0.92 -0.07 -0.53 0.00 0.00 176.83 174.94 1b4q h LEU 88 N 0.56 0.62 0.76 2.23 3.38 -0.16 -3.07 115.31 119.63 1b4q h LEU 88 Ca 0.57 -0.48 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 1b4q h LEU 88 Cb 1.01 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 41.58 1b4q h LEU 88 CO -0.46 1.27 -0.36 -0.61 0.09 0.00 0.00 178.44 178.37 1b4q h GLN 89 N 0.28 -0.98 0.00 1.13 -0.00 0.10 -0.71 115.11 114.93 1b4q h GLN 89 Ca -0.08 0.07 0.00 0.00 -0.00 0.00 0.00 58.65 58.64 1b4q h GLN 89 Cb 1.56 0.22 0.00 0.00 0.00 0.00 0.00 27.48 29.26 1b4q h GLN 89 CO 0.17 -0.65 0.00 -0.56 0.00 0.00 0.00 178.83 177.78 1b4q h GLN 90 N -1.03 0.00 0.00 1.69 -0.00 -1.59 0.11 115.11 114.29 1b4q h GLN 90 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.55 1b4q h GLN 90 Cb 0.78 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.26 1b4q h GLN 90 CO 0.17 0.00 -0.49 0.77 -0.00 0.00 0.00 178.83 179.28 1b4q h SER 91 N 0.00 0.00 0.00 0.06 0.02 -1.31 -3.47 113.55 108.85 1b4q h SER 91 Ca 0.00 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 1b4q h SER 91 Cb 0.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.59 1b4q h SER 91 CO 0.00 0.02 0.00 0.61 -1.14 0.00 0.00 176.83 176.32 1b4q n GLY 92 N 1.19 2.57 0.21 -3.77 0.00 0.38 -4.83 105.19 100.95 1b4q n GLY 92 Ca 0.02 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.12 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 2.13 0.00 0.56 1.61 4.57 -1.75 -3.01 114.58 118.68 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 0.29 -0.30 1.25 -1.18 0.00 0.00 179.01 179.06 1b4q h LEU 94 N 0.00 -0.75 -1.87 1.64 5.85 -1.72 -0.51 115.31 117.96 1b4q h LEU 94 Ca -0.00 0.03 0.19 0.00 0.84 0.00 0.00 57.88 58.94 1b4q h LEU 94 Cb 0.65 0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.85 1b4q h LEU 94 CO 0.04 -0.49 0.51 0.17 -0.34 0.00 0.00 178.44 178.33 1b4q h LEU 95 N -0.80 0.11 -0.47 2.25 8.10 -1.83 0.53 115.31 123.19 1b4q h LEU 95 Ca -0.08 0.01 -0.03 0.00 0.11 0.00 0.00 57.88 57.89 1b4q h LEU 95 Cb 0.63 -0.01 -0.02 0.00 -0.44 0.00 0.00 40.66 40.81 1b4q h LEU 95 CO 0.10 0.05 0.17 0.74 -4.11 0.00 0.00 178.44 175.40 1b4q h THR 96 N 0.12 1.22 -0.57 0.15 2.02 -1.28 0.27 112.91 114.83 1b4q h THR 96 Ca 0.36 -0.69 0.01 0.00 0.77 0.00 0.00 66.41 66.85 1b4q h THR 96 Cb 1.23 0.78 -0.03 0.00 -1.74 0.00 0.00 68.15 68.40 1b4q h THR 96 CO -0.04 0.25 0.38 -0.09 0.37 0.00 0.00 175.52 176.39 1b4q h ARG 97 N 0.62 0.75 -0.29 6.66 9.65 0.17 -1.00 114.38 130.93 1b4q h ARG 97 Ca 0.16 -0.05 -0.18 0.00 -1.10 0.00 0.00 59.98 58.81 1b4q h ARG 97 Cb 0.22 -0.17 0.00 0.00 -1.39 0.00 0.00 29.97 28.64 1b4q h ARG 97 CO -0.01 0.50 -0.52 -0.07 2.80 0.00 0.00 179.97 182.66 1b4q h LEU 98 N 0.77 0.97 0.27 3.80 4.07 -0.44 -3.32 115.31 121.43 1b4q h LEU 98 Ca 0.21 -0.53 -0.01 0.00 0.08 0.00 0.00 57.88 57.63 1b4q h LEU 98 Cb -0.09 -0.28 0.00 0.00 1.08 0.00 0.00 40.66 41.37 1b4q h LEU 98 CO -0.05 1.31 -0.13 0.50 -1.08 0.00 0.00 178.44 179.00 1b4q h LYS 99 N 0.66 -0.35 -1.21 1.13 3.64 0.60 0.68 116.57 121.72 1b4q h LYS 99 Ca 0.02 0.02 0.35 0.00 -1.27 0.00 0.00 60.65 59.77 1b4q h LYS 99 Cb 1.13 0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 32.97 1b4q h LYS 99 CO 0.12 -0.07 0.85 -0.56 -2.27 0.00 0.00 179.45 177.52 1b4q h GLN 100 N -0.61 0.08 0.00 1.90 3.07 -1.33 0.30 115.11 118.51 1b4q h GLN 100 Ca -0.04 -0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.70 1b4q h GLN 100 Cb 0.44 -0.02 0.00 0.00 0.08 0.00 0.00 27.48 27.98 1b4q h GLN 100 CO 0.06 0.05 -1.21 0.44 0.09 0.00 0.00 178.83 178.26 1b4q n ILE 101 N -4.28 0.00 -2.37 1.86 -5.35 -1.15 -5.00 119.36 103.07 1b4q n ILE 101 Ca 0.27 -0.23 0.00 0.00 -0.27 0.00 0.00 62.75 62.52 1b4q n ILE 101 Cb 1.23 0.63 0.00 0.00 -1.74 0.00 0.00 39.64 39.75 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 1.45 0.86 0.04 3.28 0.00 0.17 -4.63 105.19 106.35 1b4q n GLY 102 Ca 0.01 -0.63 0.13 0.00 0.00 0.00 0.00 46.02 45.52 1b4q n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b4q n ALA 103 N -2.18 2.82 -2.75 4.61 0.00 0.18 -4.87 120.51 118.32 1b4q n ALA 103 Ca 0.00 -0.20 -0.12 0.00 0.00 0.00 0.00 53.44 53.13 1b4q n ALA 103 Cb 0.49 -1.29 0.05 0.00 0.00 0.00 0.00 19.45 18.70 1b4q n ALA 103 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1b4q n LEU 104 N -1.82 0.00 0.00 0.00 -0.00 -1.26 -2.80 117.00 111.13 1b4q n LEU 104 Ca 0.05 -1.16 0.15 0.00 -0.00 0.00 0.00 56.01 55.05 1b4q n LEU 104 Cb 0.38 -0.26 0.88 0.00 -0.00 0.00 0.00 43.42 44.42 1b4q n LEU 104 CO 0.32 -0.67 1.04 0.00 -0.00 0.00 0.00 177.39 178.09