#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 0.28 0.00 0.00 -1.26 -4.40 117.38 111.99 1b4q n GLN 2 Ca 0.00 0.19 0.18 0.00 0.00 0.00 0.00 57.00 57.37 1b4q n GLN 2 Cb 0.00 -0.63 0.95 0.00 0.00 0.00 0.00 30.24 30.56 1b4q n GLN 2 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.06 178.11 1b4q h GLU 3 N 0.00 0.00 0.53 2.61 4.11 -2.04 -2.96 114.58 116.84 1b4q h GLU 3 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.41 1b4q h GLU 3 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1b4q h GLU 3 CO 0.00 0.00 -0.41 0.74 0.07 0.00 0.00 179.01 179.41 1b4q h PHE 4 N 0.00 -1.12 -0.09 2.06 -1.00 -2.00 -1.68 116.94 113.12 1b4q h PHE 4 Ca 0.03 -0.00 -0.24 0.00 2.81 0.00 0.00 57.97 60.58 1b4q h PHE 4 Cb 0.26 0.42 0.01 0.00 3.61 0.00 0.00 35.95 40.24 1b4q h PHE 4 CO 0.00 -0.58 -0.87 -0.39 -1.61 0.00 0.00 178.31 174.86 1b4q h VAL 5 N -0.91 1.29 -0.89 -0.55 -1.51 -1.75 -3.13 116.25 108.80 1b4q h VAL 5 Ca -0.07 -2.10 0.14 0.00 -1.23 0.00 0.00 66.70 63.44 1b4q h VAL 5 Cb 0.76 2.14 -0.07 0.00 -2.13 0.00 0.00 31.29 31.98 1b4q h VAL 5 CO 0.02 0.66 0.57 0.78 -1.23 0.00 0.00 177.57 178.36 1b4q h ASN 6 N 0.46 0.67 0.83 4.19 2.35 -1.54 1.09 115.58 123.63 1b4q h ASN 6 Ca -0.08 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 1b4q h ASN 6 Cb 1.50 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 39.78 1b4q h ASN 6 CO 0.17 0.35 0.00 -1.20 -1.65 0.00 0.00 177.43 175.10 1b4q n SER 7 N -4.56 0.19 -0.12 5.81 7.64 -0.63 -3.64 113.62 118.31 1b4q n SER 7 Ca 0.17 0.53 -0.25 0.00 1.01 0.00 0.00 58.87 60.33 1b4q n SER 7 Cb 0.44 -0.58 -0.10 0.00 -1.01 0.00 0.00 64.21 62.97 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 -1.70 0.57 -2.67 1.43 5.02 0.34 -4.90 118.16 116.26 1b4q n LYS 8 Ca 0.05 0.37 -0.41 0.00 -2.02 0.00 0.00 58.31 56.29 1b4q n LYS 8 Cb 0.27 -1.57 -0.04 0.00 -0.02 0.00 0.00 35.03 33.67 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 -2.48 4.42 0.02 -0.18 -4.36 0.56 -4.89 121.20 114.29 1b4q s ILE 9 Ca -0.34 1.96 -0.07 0.00 -0.26 0.00 0.00 60.65 61.94 1b4q s ILE 9 Cb 0.11 -4.25 -0.00 0.00 1.25 0.00 0.00 42.46 39.56 1b4q s ILE 9 CO 0.50 0.27 0.13 -1.10 0.24 0.00 0.00 174.94 174.99 1b4q s GLN 10 N 0.16 0.55 0.14 0.37 1.11 -1.26 -4.80 119.66 115.93 1b4q s GLN 10 Ca 0.49 -0.56 -0.34 0.00 0.01 0.00 0.00 55.36 54.96 1b4q s GLN 10 Cb -0.24 0.22 -0.13 0.00 -1.01 0.00 0.00 33.01 31.84 1b4q s GLN 10 CO 0.30 -0.14 1.62 -2.30 0.01 0.00 0.00 175.29 174.79 1b4q n PRO 11 N 1.11 2.23 -1.46 2.91 -0.02 -1.26 -0.30 135.00 138.20 1b4q n PRO 11 Ca -0.21 0.81 -0.07 0.00 -2.02 0.00 0.00 63.50 62.01 1b4q n PRO 11 Cb 0.57 -2.59 -0.02 0.00 -0.02 0.00 0.00 33.50 31.44 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 3.57 0.67 2.99 -1.23 0.00 -1.26 -4.94 105.19 104.98 1b4q n GLY 12 Ca 0.17 -0.70 -0.24 0.00 0.00 0.00 0.00 46.02 45.25 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 -3.08 1.53 -0.20 1.61 2.20 0.58 -4.68 119.74 117.71 1b4q s LYS 13 Ca 0.00 -0.34 -0.10 0.00 -0.36 0.00 0.00 55.97 55.17 1b4q s LYS 13 Cb 0.00 -1.34 -0.05 0.00 -1.51 0.00 0.00 37.83 34.93 1b4q s LYS 13 CO 0.00 -0.03 0.13 0.08 -0.36 0.00 0.00 175.35 175.16 1b4q s VAL 14 N 0.85 5.34 0.00 4.02 1.01 -0.78 -1.61 120.40 129.24 1b4q s VAL 14 Ca -0.11 0.17 -0.00 0.00 0.00 0.00 0.00 61.98 62.03 1b4q s VAL 14 Cb -0.15 -3.44 -0.00 0.00 0.00 0.00 0.00 36.38 32.78 1b4q s VAL 14 CO 0.02 0.44 -0.01 0.54 0.00 0.00 0.00 175.10 176.08 1b4q s VAL 15 N 0.41 0.03 -0.13 2.92 0.11 -1.23 -2.76 120.40 119.75 1b4q s VAL 15 Ca 0.07 -0.22 0.01 0.00 -2.93 0.00 0.00 61.98 58.92 1b4q s VAL 15 Cb -0.11 -0.07 0.02 0.00 -1.53 0.00 0.00 36.38 34.68 1b4q s VAL 15 CO -0.01 -0.12 -0.16 -0.69 -3.33 0.00 0.00 175.10 170.79 1b4q s VAL 16 N -0.35 1.62 -0.31 2.04 1.01 -1.14 -2.15 120.40 121.12 1b4q s VAL 16 Ca -0.04 -0.70 -0.20 0.00 0.00 0.00 0.00 61.98 61.05 1b4q s VAL 16 Cb -0.02 -1.48 -0.01 0.00 0.00 0.00 0.00 36.38 34.87 1b4q s VAL 16 CO -0.00 0.46 0.60 -0.36 0.00 0.00 0.00 175.10 175.80 1b4q s PHE 17 N 1.11 3.21 0.11 5.22 0.40 -0.79 0.21 117.98 127.46 1b4q s PHE 17 Ca -0.03 0.53 0.01 0.00 -0.60 0.00 0.00 56.93 56.84 1b4q s PHE 17 Cb -0.14 -2.95 -0.00 0.00 0.51 0.00 0.00 43.02 40.43 1b4q s PHE 17 CO -0.04 -0.46 0.04 0.44 0.70 0.00 0.00 175.22 175.89 1b4q n ILE 18 N 5.37 0.00 -3.22 0.64 -5.35 0.61 -1.29 119.36 116.13 1b4q n ILE 18 Ca -0.02 -0.63 -0.14 0.00 -0.27 0.00 0.00 62.75 61.68 1b4q n ILE 18 Cb 0.49 0.22 -0.06 0.00 -1.74 0.00 0.00 39.64 38.56 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 -2.42 0.82 -0.42 6.28 1.02 -1.26 -2.42 119.74 121.34 1b4q s LYS 19 Ca 0.05 -1.13 -0.09 0.00 0.02 0.00 0.00 55.97 54.82 1b4q s LYS 19 Cb 0.00 -0.64 -0.10 0.00 -0.52 0.00 0.00 37.83 36.57 1b4q s LYS 19 CO 0.04 -1.27 1.47 -2.30 -0.92 0.00 0.00 175.35 172.37 1b4q n PRO 20 N 3.64 0.05 0.00 -1.68 -0.02 -1.26 -2.26 135.00 133.47 1b4q n PRO 20 Ca 0.17 -0.46 0.00 0.00 -2.02 0.00 0.00 63.50 61.19 1b4q n PRO 20 Cb 0.49 -1.85 0.00 0.00 -0.02 0.00 0.00 33.50 32.12 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 5.95 0.00 -3.62 3.45 -1.04 -1.26 -5.11 114.28 112.66 1b4q n THR 21 Ca 0.20 0.00 -0.36 0.00 -2.04 0.00 0.00 64.05 61.85 1b4q n THR 21 Cb 0.45 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 68.87 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 7.15 0.00 -0.35 0.00 0.11 -1.98 -1.89 132.00 135.04 1b4q h PRO 23 Ca -0.39 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.61 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 0.71 0.00 -0.21 1.88 -0.21 0.00 0.00 178.00 180.17 1b4q h TYR 24 N 0.00 0.88 -0.72 0.65 -1.99 -1.93 -1.82 116.97 112.04 1b4q h TYR 24 Ca 0.07 -0.23 0.00 0.00 2.00 0.00 0.00 58.73 60.57 1b4q h TYR 24 Cb 0.66 -0.20 -0.04 0.00 2.00 0.00 0.00 36.73 39.16 1b4q h TYR 24 CO 0.00 0.97 0.47 0.66 -0.00 0.00 0.00 178.16 180.26 1b4q h SER 25 N 0.54 0.83 -0.72 3.88 4.64 -1.53 -1.13 113.55 120.07 1b4q h SER 25 Ca 0.07 -0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 61.34 1b4q h SER 25 Cb 0.76 -0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 62.61 1b4q h SER 25 CO 0.06 0.61 0.36 0.03 -0.87 0.00 0.00 176.83 177.02 1b4q h ARG 26 N 0.98 1.03 -0.33 4.77 2.47 -1.43 -2.44 114.38 119.42 1b4q h ARG 26 Ca 0.26 -0.14 0.06 0.00 -1.26 0.00 0.00 59.98 58.90 1b4q h ARG 26 Cb -0.09 -0.19 -0.06 0.00 -1.65 0.00 0.00 29.97 27.98 1b4q h ARG 26 CO -0.05 0.80 -0.04 0.00 0.56 0.00 0.00 179.97 181.23 1b4q h ARG 27 N 1.00 0.05 -0.76 0.04 3.08 -0.37 0.70 114.38 118.12 1b4q h ARG 27 Ca 0.25 -0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.33 1b4q h ARG 27 Cb 0.10 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.10 1b4q h ARG 27 CO -0.03 0.03 0.50 0.00 -1.07 0.00 0.00 179.97 179.40 1b4q h ALA 28 N 1.31 1.55 -0.23 0.04 0.00 -1.26 0.35 119.26 121.01 1b4q h ALA 28 Ca 0.16 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.89 1b4q h ALA 28 Cb 0.24 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1b4q h ALA 28 CO -0.31 0.37 -0.41 1.96 0.00 0.00 0.00 179.25 180.86 1b4q h GLN 29 N 0.93 0.69 -0.19 0.00 1.08 -0.50 -1.90 115.11 115.22 1b4q h GLN 29 Ca 0.30 -0.43 -0.15 0.00 -1.45 0.00 0.00 58.65 56.92 1b4q h GLN 29 Cb 0.05 0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.52 1b4q h GLN 29 CO -0.09 1.05 -0.52 0.93 -0.95 0.00 0.00 178.83 179.25 1b4q h GLU 30 N 0.41 0.53 0.03 1.46 5.08 0.11 -2.63 114.58 119.57 1b4q h GLU 30 Ca 0.01 -0.32 -0.00 0.00 -1.00 0.00 0.00 59.36 58.05 1b4q h GLU 30 Cb 1.01 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.29 1b4q h GLU 30 CO 0.09 0.92 -0.02 0.97 -1.00 0.00 0.00 179.01 179.98 1b4q h ILE 31 N 0.41 0.63 -0.05 3.13 -0.00 -0.35 -3.29 117.51 117.98 1b4q h ILE 31 Ca 0.01 -1.41 0.02 0.00 -0.00 0.00 0.00 64.86 63.48 1b4q h ILE 31 Cb 1.05 1.17 -0.00 0.00 -0.00 0.00 0.00 36.82 39.04 1b4q h ILE 31 CO 0.10 0.21 0.08 -0.07 -0.00 0.00 0.00 178.15 178.46 1b4q h LEU 32 N -0.99 0.00 -2.35 2.19 3.38 -1.47 0.32 115.31 116.38 1b4q h LEU 32 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1b4q h LEU 32 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1b4q h LEU 32 CO 0.01 0.00 0.00 0.77 0.09 0.00 0.00 178.44 179.31 1b4q h SER 33 N 0.00 0.00 0.14 -0.43 4.64 -1.53 0.60 113.55 116.97 1b4q h SER 33 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1b4q h SER 33 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1b4q h SER 33 CO -0.00 0.00 -0.28 0.00 -0.87 0.00 0.00 176.83 175.68 1b4q n GLN 34 N -2.98 1.05 -3.15 4.77 1.13 0.11 -4.86 117.38 113.44 1b4q n GLN 34 Ca -0.02 -0.70 -0.39 0.00 -1.94 0.00 0.00 57.00 53.95 1b4q n GLN 34 Cb 0.14 -1.49 -0.05 0.00 0.11 0.00 0.00 30.24 28.95 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 -2.44 4.29 -0.75 1.08 1.43 0.20 -4.94 118.68 117.56 1b4q s LEU 35 Ca 0.24 1.03 -0.20 0.00 -1.03 0.00 0.00 54.13 54.17 1b4q s LEU 35 Cb 0.19 -2.92 -0.15 0.00 0.03 0.00 0.00 46.19 43.34 1b4q s LEU 35 CO 0.51 -0.07 1.93 -0.81 0.23 0.00 0.00 176.35 178.13 1b4q n PRO 36 N 3.78 1.51 -2.79 1.29 -0.04 -1.26 -4.91 135.00 132.57 1b4q n PRO 36 Ca -0.04 -1.74 -0.38 0.00 -0.04 0.00 0.00 63.50 61.30 1b4q n PRO 36 Cb 0.51 -2.82 -0.06 0.00 -0.04 0.00 0.00 33.50 31.09 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 4.84 4.18 0.82 0.52 -1.09 -1.26 -2.55 121.20 126.65 1b4q s ILE 37 Ca 0.54 1.90 -0.14 0.00 -2.23 0.00 0.00 60.65 60.73 1b4q s ILE 37 Cb 0.14 -4.14 0.06 0.00 -1.58 0.00 0.00 42.46 36.94 1b4q s ILE 37 CO 0.10 0.31 0.97 0.29 -1.23 0.00 0.00 174.94 175.38 1b4q n LYS 38 N 0.99 0.11 -1.74 2.79 5.02 -1.14 -4.83 118.16 119.36 1b4q n LYS 38 Ca -0.00 0.10 -0.41 0.00 -2.02 0.00 0.00 58.31 55.98 1b4q n LYS 38 Cb 0.49 -2.25 0.01 0.00 -0.02 0.00 0.00 35.03 33.26 1b4q n LYS 38 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1b4q n GLN 39 N -2.64 2.25 -0.97 1.97 6.02 -1.26 -2.20 117.38 120.54 1b4q n GLN 39 Ca 0.12 0.80 0.00 0.00 -0.01 0.00 0.00 57.00 57.91 1b4q n GLN 39 Cb 0.51 -2.53 0.00 0.00 1.02 0.00 0.00 30.24 29.24 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 0.64 0.16 0.11 1.08 0.00 -1.26 -4.80 105.19 101.12 1b4q n GLY 40 Ca 0.04 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.92 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 0.00 1.52 -4.78 0.99 7.94 -0.94 -4.92 117.00 116.81 1b4q n LEU 41 Ca 0.00 -0.07 -0.38 0.00 -1.11 0.00 0.00 56.01 54.45 1b4q n LEU 41 Cb 0.32 -0.22 -0.06 0.00 0.53 0.00 0.00 43.42 43.99 1b4q n LEU 41 CO 0.00 0.72 0.10 -0.22 -1.11 0.00 0.00 177.39 176.88 1b4q s LEU 42 N -6.01 4.37 0.29 -1.96 2.96 -1.26 -1.86 118.68 115.21 1b4q s LEU 42 Ca -0.23 0.82 -0.01 0.00 -0.22 0.00 0.00 54.13 54.49 1b4q s LEU 42 Cb 0.08 -2.57 -0.02 0.00 0.50 0.00 0.00 46.19 44.18 1b4q s LEU 42 CO 0.71 0.18 0.33 -0.70 -1.32 0.00 0.00 176.35 175.55 1b4q s GLU 43 N -0.24 1.62 -0.19 1.98 2.56 -1.11 -5.02 118.70 118.30 1b4q s GLU 43 Ca 0.23 -1.71 -0.04 0.00 0.00 0.00 0.00 54.97 53.45 1b4q s GLU 43 Cb -0.15 0.37 0.06 0.00 2.00 0.00 0.00 34.13 36.41 1b4q s GLU 43 CO 0.10 -0.62 0.07 -0.06 -0.56 0.00 0.00 175.26 174.19 1b4q s PHE 44 N -3.60 0.57 -0.48 5.30 0.08 -1.26 -2.89 117.98 115.70 1b4q s PHE 44 Ca 0.34 -0.60 -0.18 0.00 0.12 0.00 0.00 56.93 56.60 1b4q s PHE 44 Cb 0.02 -0.87 0.05 0.00 -0.57 0.00 0.00 43.02 41.66 1b4q s PHE 44 CO 0.18 -0.58 0.57 0.08 -0.10 0.00 0.00 175.22 175.37 1b4q s VAL 45 N 2.01 4.95 -0.75 -0.44 1.01 0.57 -4.92 120.40 122.83 1b4q s VAL 45 Ca 0.01 -0.51 -0.24 0.00 0.00 0.00 0.00 61.98 61.24 1b4q s VAL 45 Cb -0.16 -4.23 0.05 0.00 0.00 0.00 0.00 36.38 32.04 1b4q s VAL 45 CO -0.11 -0.70 1.16 -1.81 0.00 0.00 0.00 175.10 173.64 1b4q s ASP 46 N 2.50 6.23 0.00 3.32 1.01 -1.26 -0.28 116.67 128.19 1b4q s ASP 46 Ca 0.14 -0.87 0.09 0.00 0.71 0.00 0.00 52.55 52.61 1b4q s ASP 46 Cb -0.19 -2.49 0.37 0.00 1.01 0.00 0.00 42.92 41.61 1b4q s ASP 46 CO 0.12 -1.60 1.27 2.30 0.21 0.00 0.00 175.17 177.47 1b4q n ILE 47 N 6.19 1.38 -1.20 0.77 -5.35 -1.01 -2.34 119.36 117.80 1b4q n ILE 47 Ca 0.05 0.35 -0.29 0.00 -0.27 0.00 0.00 62.75 62.59 1b4q n ILE 47 Cb 0.48 -1.20 0.06 0.00 -1.74 0.00 0.00 39.64 37.24 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 -1.49 3.33 -1.68 7.28 5.66 -1.26 -3.85 114.28 122.26 1b4q n THR 48 Ca 0.02 -2.54 0.00 0.00 -3.05 0.00 0.00 64.05 58.48 1b4q n THR 48 Cb 0.10 -1.24 0.00 0.00 -1.55 0.00 0.00 70.33 67.64 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 -0.41 1.03 -0.26 1.79 0.00 -0.99 -4.80 120.51 116.87 1b4q n ALA 49 Ca 0.51 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.78 1b4q n ALA 49 Cb 0.61 -0.01 0.00 0.00 0.00 0.00 0.00 19.45 20.06 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 -2.41 0.00 5.66 -1.25 -5.11 114.28 111.17 1b4q n THR 50 Ca 0.00 -0.30 0.04 0.00 -3.05 0.00 0.00 64.05 60.74 1b4q n THR 50 Cb 0.50 1.26 -0.01 0.00 -1.55 0.00 0.00 70.33 70.53 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 -0.21 -3.01 -1.22 1.09 3.02 -1.26 -4.82 115.26 108.85 1b4q n ASN 51 Ca 0.00 0.34 -0.13 0.00 -0.03 0.00 0.00 54.58 54.76 1b4q n ASN 51 Cb 0.07 -0.94 -0.06 0.00 -0.61 0.00 0.00 39.78 38.23 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 -1.61 -0.23 -0.20 3.10 8.25 -1.26 -4.77 115.22 118.50 1b4q n HIS 52 Ca 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.44 1b4q n HIS 52 Cb 0.14 -2.64 -0.01 0.00 1.12 0.00 0.00 29.99 28.61 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 -1.93 -0.29 0.04 1.59 -1.04 -1.26 0.25 114.28 111.64 1b4q n THR 53 Ca -0.13 1.18 0.07 0.00 -2.04 0.00 0.00 64.05 63.13 1b4q n THR 53 Cb 0.48 -1.52 0.49 0.00 -1.82 0.00 0.00 70.33 67.97 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 0.34 -0.31 8.00 -0.26 -1.91 -2.45 115.58 118.99 1b4q h ASN 54 Ca 0.13 -0.01 -0.00 0.00 -0.56 0.00 0.00 56.30 55.87 1b4q h ASN 54 Cb 0.26 -0.08 -0.01 0.00 -1.06 0.00 0.00 38.32 37.42 1b4q h ASN 54 CO -0.48 0.24 0.19 -0.33 -1.06 0.00 0.00 177.43 175.99 1b4q h GLU 55 N 0.40 0.41 0.46 0.81 4.39 0.31 0.87 114.58 122.23 1b4q h GLU 55 Ca 0.14 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.79 1b4q h GLU 55 Cb 0.08 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 1b4q h GLU 55 CO -0.03 0.30 -0.22 0.82 -1.16 0.00 0.00 179.01 178.72 1b4q h ILE 56 N 0.40 0.52 -0.91 3.13 5.03 -1.32 -1.62 117.51 122.74 1b4q h ILE 56 Ca 0.11 -0.27 0.05 0.00 -0.12 0.00 0.00 64.86 64.64 1b4q h ILE 56 Cb -0.01 0.64 -0.06 0.00 -3.03 0.00 0.00 36.82 34.36 1b4q h ILE 56 CO -0.02 0.05 0.58 1.56 -0.68 0.00 0.00 178.15 179.63 1b4q h GLN 57 N -0.79 1.04 -0.87 2.37 4.20 -1.36 0.34 115.11 120.05 1b4q h GLN 57 Ca -0.06 -0.06 0.17 0.00 0.06 0.00 0.00 58.65 58.76 1b4q h GLN 57 Cb 0.55 -0.23 -0.07 0.00 0.30 0.00 0.00 27.48 28.03 1b4q h GLN 57 CO 0.10 0.69 0.57 -0.44 -0.67 0.00 0.00 178.83 179.08 1b4q h ASP 58 N 1.07 0.49 0.16 1.46 5.19 0.10 0.23 116.42 125.12 1b4q h ASP 58 Ca 0.38 0.04 -0.20 0.00 -0.62 0.00 0.00 57.03 56.63 1b4q h ASP 58 Cb 0.12 -0.05 0.02 0.00 0.18 0.00 0.00 39.33 39.60 1b4q h ASP 58 CO -0.16 0.22 -0.89 0.22 -3.12 0.00 0.00 179.24 175.52 1b4q h TYR 59 N 0.50 0.60 -0.96 4.55 3.20 0.46 -3.00 116.97 122.32 1b4q h TYR 59 Ca 0.44 -0.44 0.20 0.00 3.14 0.00 0.00 58.73 62.08 1b4q h TYR 59 Cb 0.96 -0.02 -0.08 0.00 1.54 0.00 0.00 36.73 39.12 1b4q h TYR 59 CO -0.00 1.34 0.61 -0.07 -1.64 0.00 0.00 178.16 178.40 1b4q h LEU 60 N -0.31 0.56 0.57 2.82 3.38 0.12 1.51 115.31 123.97 1b4q h LEU 60 Ca -0.16 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 1b4q h LEU 60 Cb 1.71 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 42.43 1b4q h LEU 60 CO 0.17 0.20 -0.27 -0.61 0.09 0.00 0.00 178.44 178.02 1b4q h GLN 61 N 0.55 -0.74 -0.41 1.13 5.75 -0.63 0.33 115.11 121.09 1b4q h GLN 61 Ca 0.53 0.05 -0.10 0.00 -0.15 0.00 0.00 58.65 58.97 1b4q h GLN 61 Cb 1.10 0.17 -0.02 0.00 1.07 0.00 0.00 27.48 29.80 1b4q h GLN 61 CO -0.26 -0.47 -0.16 1.96 -2.65 0.00 0.00 178.83 177.25 1b4q h GLN 62 N -0.83 0.76 0.15 1.69 4.20 -0.76 0.27 115.11 120.60 1b4q h GLN 62 Ca -0.08 -0.27 -0.01 0.00 0.06 0.00 0.00 58.65 58.35 1b4q h GLN 62 Cb 0.61 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.34 1b4q h GLN 62 CO 0.13 0.88 -0.07 1.25 -0.67 0.00 0.00 178.83 180.34 1b4q h LEU 63 N 0.68 -0.17 0.00 1.46 5.85 0.22 -3.42 115.31 119.92 1b4q h LEU 63 Ca 0.11 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.60 1b4q h LEU 63 Cb 0.65 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.72 1b4q h LEU 63 CO 0.05 0.14 -0.24 0.35 -0.34 0.00 0.00 178.44 178.40 1b4q n THR 64 N -5.05 0.63 0.00 1.05 -2.24 0.11 -5.06 114.28 103.73 1b4q n THR 64 Ca -0.09 0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.96 1b4q n THR 64 Cb 0.21 -1.59 0.00 0.00 -2.10 0.00 0.00 70.33 66.85 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 2.46 2.50 3.85 3.38 0.00 0.95 -4.97 105.19 113.36 1b4q n GLY 65 Ca -0.03 -0.27 -0.37 0.00 0.00 0.00 0.00 46.02 45.34 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 3.79 -0.34 4.61 0.00 -1.26 -4.65 121.76 123.91 1b4q s ALA 66 Ca 0.00 -0.45 0.07 0.00 0.00 0.00 0.00 51.96 51.58 1b4q s ALA 66 Cb 0.00 -2.17 0.52 0.00 0.00 0.00 0.00 23.12 21.47 1b4q s ALA 66 CO 0.00 0.53 1.54 2.89 0.00 0.00 0.00 175.76 180.72 1b4q n ARG 67 N 2.01 2.06 -2.21 0.00 -4.01 -1.26 -4.17 116.66 109.07 1b4q n ARG 67 Ca -0.17 -3.25 -0.26 0.00 -1.04 0.00 0.00 57.85 53.12 1b4q n ARG 67 Cb 0.54 -1.93 0.10 0.00 -3.04 0.00 0.00 32.46 28.13 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 -3.45 2.19 -0.14 8.89 2.01 -1.26 -5.02 115.64 118.85 1b4q s THR 68 Ca 0.48 -0.27 -0.01 0.00 0.31 0.00 0.00 61.69 62.20 1b4q s THR 68 Cb 0.42 -2.92 -0.02 0.00 0.01 0.00 0.00 72.50 70.00 1b4q s THR 68 CO 0.01 0.00 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.14 1b4q s VAL 69 N -3.37 3.21 0.00 3.82 1.01 -1.26 -4.04 120.40 119.77 1b4q s VAL 69 Ca 0.64 -0.60 0.00 0.00 0.00 0.00 0.00 61.98 62.02 1b4q s VAL 69 Cb -0.08 -2.37 0.00 0.00 0.00 0.00 0.00 36.38 33.93 1b4q s VAL 69 CO 0.46 0.51 0.00 -0.81 0.00 0.00 0.00 175.10 175.27 1b4q n PRO 70 N 3.63 0.57 -3.39 2.72 -0.04 -1.26 -4.30 135.00 132.92 1b4q n PRO 70 Ca -0.18 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.08 1b4q n PRO 70 Cb 0.52 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.90 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 -1.61 0.61 0.50 0.54 1.81 -0.41 -4.28 118.95 116.10 1b4q s ARG 71 Ca 0.00 -0.98 -0.10 0.00 -1.72 0.00 0.00 55.73 52.92 1b4q s ARG 71 Cb 0.00 -0.89 -0.05 0.00 -0.45 0.00 0.00 34.95 33.56 1b4q s ARG 71 CO 0.00 -1.20 0.87 0.08 -0.68 0.00 0.00 175.30 174.38 1b4q s VAL 72 N 1.34 4.76 -0.37 3.52 1.01 -1.03 -1.88 120.40 127.75 1b4q s VAL 72 Ca 0.17 0.67 0.02 0.00 0.00 0.00 0.00 61.98 62.85 1b4q s VAL 72 Cb -0.17 -3.80 0.15 0.00 0.00 0.00 0.00 36.38 32.56 1b4q s VAL 72 CO -0.03 -0.79 0.33 -0.36 0.00 0.00 0.00 175.10 174.25 1b4q s PHE 73 N -2.71 0.09 -0.20 5.22 0.40 -0.92 -3.75 117.98 116.12 1b4q s PHE 73 Ca 0.52 -1.18 -0.29 0.00 -0.60 0.00 0.00 56.93 55.39 1b4q s PHE 73 Cb -0.10 -0.59 -0.02 0.00 0.51 0.00 0.00 43.02 42.82 1b4q s PHE 73 CO 0.40 -0.92 1.52 0.42 0.70 0.00 0.00 175.22 177.34 1b4q s ILE 74 N 1.21 3.84 0.00 0.64 -1.09 -0.91 -3.58 121.20 121.32 1b4q s ILE 74 Ca 0.18 0.97 0.00 0.00 -2.23 0.00 0.00 60.65 59.57 1b4q s ILE 74 Cb -0.17 -3.79 0.00 0.00 -1.58 0.00 0.00 42.46 36.92 1b4q s ILE 74 CO -0.02 -0.27 0.00 0.61 -1.23 0.00 0.00 174.94 174.03 1b4q n GLY 75 N 4.37 0.92 0.05 6.18 0.00 -0.64 -1.41 105.19 114.67 1b4q n GLY 75 Ca 0.17 -0.81 0.11 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 1.07 -3.02 1.61 5.02 -1.26 -4.55 118.16 117.03 1b4q n LYS 76 Ca 0.00 -0.10 -0.42 0.00 -2.02 0.00 0.00 58.31 55.77 1b4q n LYS 76 Cb 0.00 -1.36 -0.06 0.00 -0.02 0.00 0.00 35.03 33.60 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 -1.70 6.51 0.32 4.39 1.01 -0.50 -5.04 116.67 121.65 1b4q s ASP 77 Ca 0.34 0.30 -0.28 0.00 0.71 0.00 0.00 52.55 53.62 1b4q s ASP 77 Cb 0.16 -2.37 -0.09 0.00 1.01 0.00 0.00 42.92 41.63 1b4q s ASP 77 CO 0.26 -0.66 1.06 -0.55 0.21 0.00 0.00 175.17 175.49 1b4q s SER 78 N 1.80 7.15 -0.02 0.27 0.15 -1.26 -2.13 113.70 119.65 1b4q s SER 78 Ca 0.29 2.14 0.12 0.00 0.70 0.00 0.00 55.95 59.20 1b4q s SER 78 Cb -0.14 -2.61 -0.19 0.00 -1.71 0.00 0.00 66.02 61.38 1b4q s SER 78 CO 0.16 -0.22 0.25 2.30 1.20 0.00 0.00 173.24 176.93 1b4q n ILE 79 N 0.78 0.05 0.00 6.45 -5.35 -1.25 -4.92 119.36 115.13 1b4q n ILE 79 Ca 0.01 -0.29 0.00 0.00 -0.27 0.00 0.00 62.75 62.19 1b4q n ILE 79 Cb 0.47 0.16 0.00 0.00 -1.74 0.00 0.00 39.64 38.53 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 1.83 0.68 0.00 3.28 0.00 -1.26 -4.67 105.19 105.06 1b4q n GLY 80 Ca -0.03 -2.13 0.00 0.00 0.00 0.00 0.00 46.02 43.86 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 1.25 0.27 -0.02 0.00 -1.26 -2.46 105.19 102.96 1b4q n GLY 81 Ca 0.00 -1.60 -0.10 0.00 0.00 0.00 0.00 46.02 44.32 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 -0.52 -0.39 1.61 0.87 -1.81 -1.97 113.55 111.33 1b4q h SER 82 Ca 0.00 0.02 0.11 0.00 -1.23 0.00 0.00 61.79 60.69 1b4q h SER 82 Cb 0.00 0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.08 1b4q h SER 82 CO 0.00 -0.12 0.56 -1.28 -0.53 0.00 0.00 176.83 175.45 1b4q h SER 83 N -1.12 0.00 0.00 6.23 0.87 -1.94 0.15 113.55 117.73 1b4q h SER 83 Ca -0.06 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.47 1b4q h SER 83 Cb 0.48 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.44 1b4q h SER 83 CO 0.10 0.00 -0.10 0.44 -0.53 0.00 0.00 176.83 176.75 1b4q h ASP 84 N 0.00 0.08 0.26 6.23 5.19 -1.86 -3.09 116.42 123.22 1b4q h ASP 84 Ca 0.19 -0.83 0.00 0.00 -0.62 0.00 0.00 57.03 55.77 1b4q h ASP 84 Cb 1.30 -0.02 -0.04 0.00 0.18 0.00 0.00 39.33 40.74 1b4q h ASP 84 CO -0.00 0.90 -0.52 0.25 -3.12 0.00 0.00 179.24 176.74 1b4q h LEU 85 N -0.73 -1.52 -0.42 1.55 6.46 0.07 -2.66 115.31 118.06 1b4q h LEU 85 Ca -0.01 0.15 0.09 0.00 -0.12 0.00 0.00 57.88 57.98 1b4q h LEU 85 Cb 0.92 0.54 -0.09 0.00 -0.73 0.00 0.00 40.66 41.30 1b4q h LEU 85 CO 0.02 -0.60 -0.27 -0.37 -0.62 0.00 0.00 178.44 176.60 1b4q h VAL 86 N -0.85 0.30 -1.21 1.05 -1.51 -1.59 0.33 116.25 112.78 1b4q h VAL 86 Ca -0.03 0.00 0.37 0.00 -1.23 0.00 0.00 66.70 65.81 1b4q h VAL 86 Cb 0.81 0.30 -0.11 0.00 -2.13 0.00 0.00 31.29 30.15 1b4q h VAL 86 CO -0.21 0.00 0.78 -1.28 -1.23 0.00 0.00 177.57 175.63 1b4q h SER 87 N -0.19 0.32 0.21 4.19 0.87 -1.39 0.97 113.55 118.53 1b4q h SER 87 Ca 0.19 0.11 -0.31 0.00 -1.23 0.00 0.00 61.79 60.56 1b4q h SER 87 Cb 0.50 0.08 0.03 0.00 -0.44 0.00 0.00 62.40 62.56 1b4q h SER 87 CO -0.53 -0.08 -1.41 -0.07 -0.53 0.00 0.00 176.83 174.22 1b4q h LEU 88 N 0.20 0.69 0.57 2.23 3.38 -0.18 -3.16 115.31 119.05 1b4q h LEU 88 Ca 0.73 -0.93 -0.02 0.00 0.09 0.00 0.00 57.88 57.75 1b4q h LEU 88 Cb 2.15 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 42.66 1b4q h LEU 88 CO -0.36 1.66 -0.39 -0.61 0.09 0.00 0.00 178.44 178.83 1b4q h GLN 89 N 0.00 -0.89 0.00 1.13 5.75 0.83 0.42 115.11 122.35 1b4q h GLN 89 Ca -0.26 0.06 -0.01 0.00 -0.15 0.00 0.00 58.65 58.29 1b4q h GLN 89 Cb 2.02 0.20 -0.00 0.00 1.07 0.00 0.00 27.48 30.78 1b4q h GLN 89 CO 0.22 -0.60 -0.06 -0.56 -2.65 0.00 0.00 178.83 175.18 1b4q h GLN 90 N -0.93 0.00 0.00 1.69 -0.00 -1.62 -0.41 115.11 113.84 1b4q h GLN 90 Ca -0.07 0.00 -0.09 0.00 -0.00 0.00 0.00 58.65 58.49 1b4q h GLN 90 Cb 0.77 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.24 1b4q h GLN 90 CO 0.04 0.06 -0.44 0.77 -0.00 0.00 0.00 178.83 179.26 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 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1b4q h SER 91 Cb 0.14 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.68 1b4q h SER 91 CO 0.01 0.43 0.00 0.61 -1.14 0.00 0.00 176.83 176.73 1b4q n GLY 92 N 1.21 1.43 0.21 -3.77 0.00 0.14 -4.87 105.19 99.54 1b4q n GLY 92 Ca 0.02 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 3.15 0.00 0.56 1.61 4.57 -1.75 -3.09 114.58 119.62 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 0.01 0.00 -0.16 0.00 0.00 28.75 28.60 1b4q h GLU 93 CO 0.00 0.31 -0.27 1.25 -1.18 0.00 0.00 179.01 179.12 1b4q h LEU 94 N 0.00 -0.63 -2.00 1.64 5.85 -1.83 0.12 115.31 118.46 1b4q h LEU 94 Ca -0.00 0.02 0.17 0.00 0.84 0.00 0.00 57.88 58.91 1b4q h LEU 94 Cb 0.74 0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.91 1b4q h LEU 94 CO 0.04 -0.45 0.44 0.17 -0.34 0.00 0.00 178.44 178.30 1b4q h LEU 95 N -0.75 0.00 -0.13 2.25 8.10 -1.85 0.38 115.31 123.30 1b4q h LEU 95 Ca -0.08 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 57.90 1b4q h LEU 95 Cb 0.57 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.79 1b4q h LEU 95 CO 0.13 0.00 0.02 0.74 -4.11 0.00 0.00 178.44 175.22 1b4q h THR 96 N 0.00 1.22 -0.48 0.15 2.02 -1.37 0.43 112.91 114.88 1b4q h THR 96 Ca 0.28 -0.70 0.08 0.00 0.77 0.00 0.00 66.41 66.84 1b4q h THR 96 Cb 1.17 1.43 -0.03 0.00 -1.74 0.00 0.00 68.15 68.98 1b4q h THR 96 CO -0.00 0.20 0.32 -0.09 0.37 0.00 0.00 175.52 176.33 1b4q h ARG 97 N -0.00 0.31 -0.21 6.66 9.65 0.17 0.19 114.38 131.16 1b4q h ARG 97 Ca 0.04 -0.02 -0.19 0.00 -1.10 0.00 0.00 59.98 58.71 1b4q h ARG 97 Cb 0.30 -0.07 0.01 0.00 -1.39 0.00 0.00 29.97 28.81 1b4q h ARG 97 CO 0.00 0.21 -0.62 -0.07 2.80 0.00 0.00 179.97 182.28 1b4q h LEU 98 N 0.32 0.91 0.27 3.80 4.07 -0.36 -3.28 115.31 121.03 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 0.44 -0.26 0.00 0.00 1.08 0.00 0.00 40.66 41.92 1b4q h LEU 98 CO -0.05 1.33 -0.13 0.50 -1.08 0.00 0.00 178.44 179.01 1b4q h LYS 99 N 0.53 -0.35 -1.03 1.13 3.64 0.27 0.88 116.57 121.63 1b4q h LYS 99 Ca -0.02 0.02 0.28 0.00 -1.27 0.00 0.00 60.65 59.66 1b4q h LYS 99 Cb 1.25 0.08 -0.07 0.00 -0.41 0.00 0.00 32.23 33.08 1b4q h LYS 99 CO 0.13 -0.09 0.70 -0.56 -2.27 0.00 0.00 179.45 177.36 1b4q h GLN 100 N -0.59 0.23 0.00 1.90 3.07 -1.04 0.19 115.11 118.86 1b4q h GLN 100 Ca -0.04 -0.01 0.00 0.00 0.09 0.00 0.00 58.65 58.69 1b4q h GLN 100 Cb 0.42 -0.05 0.00 0.00 0.08 0.00 0.00 27.48 27.93 1b4q h GLN 100 CO 0.06 0.15 -1.71 0.44 0.09 0.00 0.00 178.83 177.87 1b4q n ILE 101 N -4.44 0.02 -2.07 1.86 -5.35 -1.14 -4.99 119.36 103.24 1b4q n ILE 101 Ca 0.23 -0.37 0.00 0.00 -0.27 0.00 0.00 62.75 62.34 1b4q n ILE 101 Cb 0.96 0.24 0.00 0.00 -1.74 0.00 0.00 39.64 39.09 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 1.32 0.83 0.05 3.28 0.00 0.25 -4.67 105.19 106.25 1b4q n GLY 102 Ca -0.02 -0.55 0.13 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.85 2.75 -2.00 4.61 0.00 0.18 -4.86 120.51 119.34 1b4q n ALA 103 Ca 0.00 -0.18 -0.21 0.00 0.00 0.00 0.00 53.44 53.05 1b4q n ALA 103 Cb 0.44 -1.30 0.07 0.00 0.00 0.00 0.00 19.45 18.65 1b4q n ALA 103 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1b4q s LEU 104 N -3.82 3.16 0.00 0.00 2.34 -1.26 -2.90 118.68 116.20 1b4q s LEU 104 Ca 0.10 -0.36 0.32 0.00 0.06 0.00 0.00 54.13 54.25 1b4q s LEU 104 Cb 0.15 -2.25 1.89 0.00 -0.56 0.00 0.00 46.19 45.41 1b4q s LEU 104 CO 0.64 -1.43 2.21 0.00 -1.06 0.00 0.00 176.35 176.71