#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 -4.84 117.38 118.55 1b4q n GLN 2 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 1b4q n GLN 2 Cb 0.00 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.65 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 -0.56 0.00 0.07 3.69 0.28 -1.26 -3.02 120.64 119.84 1b4q n GLU 3 Ca 0.00 0.33 -0.03 0.00 -0.16 0.00 0.00 57.16 57.30 1b4q n GLU 3 Cb 0.00 -1.52 -0.01 0.00 1.43 0.00 0.00 31.44 31.34 1b4q n GLU 3 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 177.13 177.71 1b4q h PHE 4 N 0.00 -0.17 -0.13 -1.84 -1.00 -1.99 -2.17 116.94 109.64 1b4q h PHE 4 Ca 0.00 -0.00 -0.21 0.00 2.81 0.00 0.00 57.97 60.56 1b4q h PHE 4 Cb 0.04 0.06 0.01 0.00 3.61 0.00 0.00 35.95 39.66 1b4q h PHE 4 CO 0.00 -0.11 -0.76 -0.39 -1.61 0.00 0.00 178.31 175.44 1b4q h VAL 5 N -0.20 1.31 -0.88 -0.55 -1.51 -1.94 -3.13 116.25 109.35 1b4q h VAL 5 Ca -0.02 -2.02 0.12 0.00 -1.23 0.00 0.00 66.70 63.55 1b4q h VAL 5 Cb 0.14 2.02 -0.07 0.00 -2.13 0.00 0.00 31.29 31.25 1b4q h VAL 5 CO 0.03 0.63 0.57 0.78 -1.23 0.00 0.00 177.57 178.35 1b4q h ASN 6 N 0.46 0.72 0.97 4.19 4.21 -1.65 0.49 115.58 124.96 1b4q h ASN 6 Ca -0.05 0.03 0.00 0.00 1.21 0.00 0.00 56.30 57.50 1b4q h ASN 6 Cb 1.37 -0.12 0.00 0.00 -1.12 0.00 0.00 38.32 38.46 1b4q h ASN 6 CO 0.15 0.40 0.00 -1.20 -1.29 0.00 0.00 177.43 175.49 1b4q n SER 7 N -4.55 0.44 -0.11 5.81 7.64 -0.82 -3.72 113.62 118.31 1b4q n SER 7 Ca 0.16 0.57 -0.24 0.00 1.01 0.00 0.00 58.87 60.37 1b4q n SER 7 Cb 0.38 -0.68 -0.11 0.00 -1.01 0.00 0.00 64.21 62.79 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 -1.94 0.62 -2.68 1.43 5.02 0.15 -4.92 118.16 115.84 1b4q n LYS 8 Ca 0.04 0.28 -0.41 0.00 -2.02 0.00 0.00 58.31 56.21 1b4q n LYS 8 Cb 0.30 -1.57 -0.05 0.00 -0.02 0.00 0.00 35.03 33.70 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 4.25 0.03 -0.18 -4.36 0.09 -4.91 121.20 113.62 1b4q s ILE 9 Ca -0.34 1.96 -0.10 0.00 -0.26 0.00 0.00 60.65 61.90 1b4q s ILE 9 Cb 0.11 -4.25 0.01 0.00 1.25 0.00 0.00 42.46 39.58 1b4q s ILE 9 CO 0.57 0.34 0.21 -1.10 0.24 0.00 0.00 174.94 175.20 1b4q s GLN 10 N -0.34 0.66 0.22 0.37 -1.52 -1.26 -4.86 119.66 112.93 1b4q s GLN 10 Ca 0.46 -0.52 -0.32 0.00 -1.95 0.00 0.00 55.36 53.03 1b4q s GLN 10 Cb -0.25 0.28 -0.13 0.00 -0.22 0.00 0.00 33.01 32.69 1b4q s GLN 10 CO 0.32 -0.19 1.62 -2.30 -0.25 0.00 0.00 175.29 174.49 1b4q n PRO 11 N 0.89 2.53 -1.86 2.91 -0.02 -1.26 -1.49 135.00 136.69 1b4q n PRO 11 Ca -0.20 0.91 -0.08 0.00 -2.02 0.00 0.00 63.50 62.11 1b4q n PRO 11 Cb 0.58 -2.70 -0.01 0.00 -0.02 0.00 0.00 33.50 31.35 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 3.22 0.33 2.84 -1.23 0.00 -1.26 -4.96 105.19 104.12 1b4q n GLY 12 Ca 0.14 -0.60 -0.14 0.00 0.00 0.00 0.00 46.02 45.42 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 -3.86 0.05 -0.14 1.61 2.20 -0.56 -4.63 119.74 114.41 1b4q s LYS 13 Ca 0.00 0.06 -0.06 0.00 -0.36 0.00 0.00 55.97 55.61 1b4q s LYS 13 Cb 0.00 -0.17 -0.04 0.00 -1.51 0.00 0.00 37.83 36.11 1b4q s LYS 13 CO 0.00 -0.07 0.08 0.08 -0.36 0.00 0.00 175.35 175.09 1b4q s VAL 14 N 0.48 5.02 -0.03 4.02 1.01 -0.52 -1.05 120.40 129.34 1b4q s VAL 14 Ca -0.04 0.03 -0.03 0.00 0.00 0.00 0.00 61.98 61.94 1b4q s VAL 14 Cb -0.06 -3.21 0.01 0.00 0.00 0.00 0.00 36.38 33.12 1b4q s VAL 14 CO -0.01 0.54 0.08 0.54 0.00 0.00 0.00 175.10 176.26 1b4q s VAL 15 N -0.39 0.02 -0.11 2.92 0.11 -1.23 -2.78 120.40 118.93 1b4q s VAL 15 Ca 0.10 -0.15 0.01 0.00 -2.93 0.00 0.00 61.98 59.01 1b4q s VAL 15 Cb -0.12 -0.18 0.02 0.00 -1.53 0.00 0.00 36.38 34.57 1b4q s VAL 15 CO 0.02 -0.08 -0.14 -0.69 -3.33 0.00 0.00 175.10 170.87 1b4q s VAL 16 N -0.23 1.45 -0.20 2.04 1.01 -0.92 -2.10 120.40 121.45 1b4q s VAL 16 Ca -0.03 -0.61 -0.20 0.00 0.00 0.00 0.00 61.98 61.15 1b4q s VAL 16 Cb -0.02 -1.34 -0.03 0.00 0.00 0.00 0.00 36.38 34.99 1b4q s VAL 16 CO 0.00 0.43 0.59 -0.36 0.00 0.00 0.00 175.10 175.76 1b4q s PHE 17 N 1.07 3.38 0.24 5.22 0.40 -0.68 0.14 117.98 127.74 1b4q s PHE 17 Ca -0.05 0.87 0.03 0.00 -0.60 0.00 0.00 56.93 57.18 1b4q s PHE 17 Cb -0.15 -2.75 -0.01 0.00 0.51 0.00 0.00 43.02 40.62 1b4q s PHE 17 CO -0.03 -0.14 0.12 0.44 0.70 0.00 0.00 175.22 176.31 1b4q n ILE 18 N 4.61 0.00 -3.41 0.64 -5.35 -0.25 -1.53 119.36 114.07 1b4q n ILE 18 Ca -0.03 -1.50 -0.21 0.00 -0.27 0.00 0.00 62.75 60.74 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 -2.94 0.50 -0.39 6.28 1.02 -1.26 -2.72 119.74 120.23 1b4q s LYS 19 Ca 0.17 -0.78 -0.09 0.00 0.02 0.00 0.00 55.97 55.29 1b4q s LYS 19 Cb 0.01 -0.89 -0.09 0.00 -0.52 0.00 0.00 37.83 36.34 1b4q s LYS 19 CO 0.12 -1.14 1.41 -2.30 -0.92 0.00 0.00 175.35 172.51 1b4q n PRO 20 N 4.54 0.04 0.00 -1.68 -0.02 -1.26 -2.21 135.00 134.41 1b4q n PRO 20 Ca 0.07 -0.58 0.00 0.00 -2.02 0.00 0.00 63.50 60.97 1b4q n PRO 20 Cb 0.43 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 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 6.11 0.00 -3.65 3.45 -1.04 -1.26 -5.12 114.28 112.77 1b4q n THR 21 Ca 0.15 0.00 -0.36 0.00 -2.04 0.00 0.00 64.05 61.81 1b4q n THR 21 Cb 0.48 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 68.91 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 3.71 0.15 -0.07 0.00 -0.02 -1.26 -2.39 135.00 135.12 1b4q n PRO 23 Ca -0.14 0.60 -0.13 0.00 -2.02 0.00 0.00 63.50 61.81 1b4q n PRO 23 Cb 0.52 -1.93 -0.06 0.00 -0.02 0.00 0.00 33.50 32.01 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 0.52 -0.02 6.00 -1.99 -1.93 -2.12 116.97 117.43 1b4q h TYR 24 Ca 0.00 -0.14 -0.08 0.00 2.00 0.00 0.00 58.73 60.51 1b4q h TYR 24 Cb 0.06 -0.12 -0.01 0.00 2.00 0.00 0.00 36.73 38.66 1b4q h TYR 24 CO 0.00 0.77 -0.35 0.77 -0.00 0.00 0.00 178.16 179.35 1b4q h SER 25 N 0.13 0.03 0.46 3.88 0.02 -1.67 -3.14 113.55 113.27 1b4q h SER 25 Ca 0.04 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.95 1b4q h SER 25 Cb 0.66 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.19 1b4q h SER 25 CO 0.04 0.38 -0.22 -0.09 -1.14 0.00 0.00 176.83 175.80 1b4q h ARG 26 N 0.03 -0.60 -0.99 3.45 9.65 -1.45 -2.52 114.38 121.95 1b4q h ARG 26 Ca 0.00 0.04 0.24 0.00 -1.10 0.00 0.00 59.98 59.16 1b4q h ARG 26 Cb 0.63 0.14 -0.08 0.00 -1.39 0.00 0.00 29.97 29.27 1b4q h ARG 26 CO 0.05 -0.31 0.64 0.07 2.80 0.00 0.00 179.97 183.22 1b4q h ARG 27 N -0.84 0.39 -0.59 0.20 0.11 -1.36 1.12 114.38 113.41 1b4q h ARG 27 Ca -0.06 -0.02 -0.03 0.00 0.10 0.00 0.00 59.98 59.97 1b4q h ARG 27 Cb 0.57 -0.09 -0.03 0.00 1.11 0.00 0.00 29.97 31.53 1b4q h ARG 27 CO 0.10 0.26 0.26 0.00 0.10 0.00 0.00 179.97 180.69 1b4q h ALA 28 N 1.61 1.34 -0.04 0.08 0.00 -1.44 0.56 119.26 121.36 1b4q h ALA 28 Ca 0.54 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.28 1b4q h ALA 28 Cb 1.36 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1b4q h ALA 28 CO -0.24 0.50 -0.08 1.96 0.00 0.00 0.00 179.25 181.40 1b4q h GLN 29 N 0.84 0.12 -0.06 0.00 4.20 0.16 -1.92 115.11 118.45 1b4q h GLN 29 Ca 0.20 -0.08 -0.10 0.00 0.06 0.00 0.00 58.65 58.74 1b4q h GLN 29 Cb 0.13 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 1b4q h GLN 29 CO -0.02 0.67 -0.41 0.93 -0.67 0.00 0.00 178.83 179.32 1b4q h GLU 30 N -0.42 0.14 0.05 1.46 5.08 -0.56 -1.72 114.58 118.61 1b4q h GLU 30 Ca 0.00 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1b4q h GLU 30 Cb 0.67 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.91 1b4q h GLU 30 CO 0.02 0.54 -0.02 0.97 -1.00 0.00 0.00 179.01 179.51 1b4q h ILE 31 N 0.12 0.82 -0.00 3.13 -0.00 0.08 -3.23 117.51 118.43 1b4q h ILE 31 Ca 0.01 -1.50 0.00 0.00 -0.00 0.00 0.00 64.86 63.37 1b4q h ILE 31 Cb 0.79 1.51 -0.00 0.00 -0.00 0.00 0.00 36.82 39.12 1b4q h ILE 31 CO 0.06 0.26 0.01 -0.07 -0.00 0.00 0.00 178.15 178.41 1b4q h LEU 32 N -0.98 0.00 -1.76 2.19 3.38 -1.42 0.20 115.31 116.92 1b4q h LEU 32 Ca -0.01 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1b4q h LEU 32 Cb 0.48 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 1b4q h LEU 32 CO 0.01 0.00 -0.16 -1.28 0.09 0.00 0.00 178.44 177.10 1b4q h SER 33 N 0.00 0.00 -0.14 -0.43 0.87 -1.32 -1.00 113.55 111.52 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 0.01 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.97 1b4q h SER 33 CO -0.00 0.16 0.00 0.00 -0.53 0.00 0.00 176.83 176.46 1b4q n GLN 34 N -3.87 1.80 -3.26 2.24 1.13 0.71 -4.86 117.38 111.27 1b4q n GLN 34 Ca -0.02 -1.19 -0.39 0.00 -1.94 0.00 0.00 57.00 53.47 1b4q n GLN 34 Cb 0.26 -1.43 -0.06 0.00 0.11 0.00 0.00 30.24 29.12 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 -1.68 4.24 -0.37 1.08 1.43 -0.38 -4.94 118.68 118.05 1b4q s LEU 35 Ca 0.34 0.81 -0.23 0.00 -1.03 0.00 0.00 54.13 54.01 1b4q s LEU 35 Cb 0.19 -2.74 -0.24 0.00 0.03 0.00 0.00 46.19 43.43 1b4q s LEU 35 CO 0.29 -0.08 1.71 -0.81 0.23 0.00 0.00 176.35 177.69 1b4q n PRO 36 N 4.07 0.74 -2.83 1.29 -0.04 -1.26 -4.89 135.00 132.08 1b4q n PRO 36 Ca -0.06 -1.33 -0.32 0.00 -0.04 0.00 0.00 63.50 61.75 1b4q n PRO 36 Cb 0.51 -2.63 -0.05 0.00 -0.04 0.00 0.00 33.50 31.29 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 5.80 4.59 0.20 0.52 -1.09 -1.26 -2.49 121.20 127.48 1b4q s ILE 37 Ca 0.57 1.09 -0.03 0.00 -2.23 0.00 0.00 60.65 60.05 1b4q s ILE 37 Cb 0.13 -3.65 0.05 0.00 -1.58 0.00 0.00 42.46 37.40 1b4q s ILE 37 CO 0.20 -0.40 0.10 0.29 -1.23 0.00 0.00 174.94 173.91 1b4q n LYS 38 N -0.89 -1.03 0.00 2.79 4.76 -1.18 -4.77 118.16 117.85 1b4q n LYS 38 Ca 0.05 -0.17 0.00 0.00 -2.87 0.00 0.00 58.31 55.32 1b4q n LYS 38 Cb 0.54 -0.28 0.00 0.00 -1.84 0.00 0.00 35.03 33.44 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 -1.63 0.00 -0.37 1.97 3.00 -1.26 -3.82 117.38 115.28 1b4q n GLN 39 Ca 0.02 0.00 -0.04 0.00 -0.01 0.00 0.00 57.00 56.96 1b4q n GLN 39 Cb 0.07 0.00 -0.06 0.00 0.00 0.00 0.00 30.24 30.25 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 1.72 0.01 1.08 0.00 -1.26 -3.84 105.19 102.91 1b4q n GLY 40 Ca 0.00 -0.43 0.11 0.00 0.00 0.00 0.00 46.02 45.70 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 2.76 0.62 -4.52 0.99 7.94 -1.25 -4.86 117.00 118.67 1b4q n LEU 41 Ca 0.15 -0.24 -0.34 0.00 -1.11 0.00 0.00 56.01 54.47 1b4q n LEU 41 Cb 0.34 -0.03 -0.12 0.00 0.53 0.00 0.00 43.42 44.14 1b4q n LEU 41 CO 0.19 0.13 -0.33 -0.22 -1.11 0.00 0.00 177.39 176.06 1b4q s LEU 42 N -3.63 3.38 0.14 -1.96 2.96 -1.25 -1.44 118.68 116.88 1b4q s LEU 42 Ca 0.03 -0.09 -0.03 0.00 -0.22 0.00 0.00 54.13 53.82 1b4q s LEU 42 Cb 0.15 -1.83 -0.03 0.00 0.50 0.00 0.00 46.19 44.98 1b4q s LEU 42 CO 0.86 0.15 0.10 -0.70 -1.32 0.00 0.00 176.35 175.45 1b4q s GLU 43 N 0.47 0.98 -0.19 1.98 2.56 -1.12 -5.03 118.70 118.35 1b4q s GLU 43 Ca -0.02 -1.39 -0.00 0.00 0.00 0.00 0.00 54.97 53.56 1b4q s GLU 43 Cb -0.14 0.27 0.05 0.00 2.00 0.00 0.00 34.13 36.31 1b4q s GLU 43 CO 0.02 -0.29 -0.05 -0.06 -0.56 0.00 0.00 175.26 174.32 1b4q s PHE 44 N -4.03 1.88 -0.47 5.30 0.08 -1.26 -2.17 117.98 117.30 1b4q s PHE 44 Ca 0.23 -1.29 -0.18 0.00 0.12 0.00 0.00 56.93 55.81 1b4q s PHE 44 Cb 0.07 -1.38 0.05 0.00 -0.57 0.00 0.00 43.02 41.18 1b4q s PHE 44 CO 0.02 -0.67 0.50 0.08 -0.10 0.00 0.00 175.22 175.04 1b4q s VAL 45 N 1.57 5.04 -0.67 -0.44 1.01 0.36 -4.92 120.40 122.35 1b4q s VAL 45 Ca -0.02 -0.60 -0.26 0.00 0.00 0.00 0.00 61.98 61.10 1b4q s VAL 45 Cb -0.17 -4.17 0.04 0.00 0.00 0.00 0.00 36.38 32.09 1b4q s VAL 45 CO -0.07 -0.62 1.17 -1.81 0.00 0.00 0.00 175.10 173.77 1b4q s ASP 46 N 2.37 6.25 0.00 3.32 1.01 -1.26 -1.09 116.67 127.26 1b4q s ASP 46 Ca 0.11 -0.40 0.05 0.00 0.71 0.00 0.00 52.55 53.02 1b4q s ASP 46 Cb -0.20 -2.52 0.25 0.00 1.01 0.00 0.00 42.92 41.46 1b4q s ASP 46 CO 0.11 -1.63 0.98 2.30 0.21 0.00 0.00 175.17 177.14 1b4q n ILE 47 N 6.35 0.92 0.01 0.77 -5.35 -1.10 -1.40 119.36 119.56 1b4q n ILE 47 Ca 0.03 0.23 0.05 0.00 -0.27 0.00 0.00 62.75 62.79 1b4q n ILE 47 Cb 0.48 -1.15 -0.11 0.00 -1.74 0.00 0.00 39.64 37.13 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 -1.27 0.67 1.03 7.28 5.66 -1.26 -3.85 114.28 122.54 1b4q n THR 48 Ca 0.02 -0.62 0.00 0.00 -3.05 0.00 0.00 64.05 60.40 1b4q n THR 48 Cb 0.04 -0.34 0.00 0.00 -1.55 0.00 0.00 70.33 68.48 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 -2.36 2.33 -0.92 1.79 0.00 -0.49 -2.97 120.51 117.89 1b4q n ALA 49 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1b4q n ALA 49 Cb 0.73 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.18 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 -0.04 0.00 -1.55 0.00 5.66 -1.26 -5.07 114.28 112.03 1b4q n THR 50 Ca 0.00 0.00 0.04 0.00 -3.05 0.00 0.00 64.05 61.04 1b4q n THR 50 Cb 0.18 1.33 -0.01 0.00 -1.55 0.00 0.00 70.33 70.28 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 -2.02 -2.19 1.09 3.02 -1.16 -4.87 115.26 109.13 1b4q n ASN 51 Ca 0.00 0.28 -0.16 0.00 -0.03 0.00 0.00 54.58 54.67 1b4q n ASN 51 Cb 0.18 -0.79 -0.02 0.00 -0.61 0.00 0.00 39.78 38.53 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 -1.44 -0.98 -0.24 3.10 8.25 -1.26 -4.80 115.22 117.85 1b4q n HIS 52 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.34 1b4q n HIS 52 Cb 0.12 -3.25 -0.09 0.00 1.12 0.00 0.00 29.99 27.89 1b4q n HIS 52 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 1b4q h THR 53 N 0.00 0.01 -0.17 1.59 2.02 -1.90 0.38 112.91 114.84 1b4q h THR 53 Ca -0.38 0.00 0.05 0.00 0.77 0.00 0.00 66.41 66.85 1b4q h THR 53 Cb 1.24 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.65 1b4q h THR 53 CO 0.47 0.00 0.13 0.78 0.37 0.00 0.00 175.52 177.27 1b4q h ASN 54 N -0.25 0.00 -0.37 4.18 2.35 -1.91 -2.07 115.58 117.51 1b4q h ASN 54 Ca 0.11 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.83 1b4q h ASN 54 Cb 0.54 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.89 1b4q h ASN 54 CO -0.72 0.00 0.10 -0.33 -1.65 0.00 0.00 177.43 174.83 1b4q h GLU 55 N 0.00 0.59 0.26 0.81 4.39 -0.60 0.41 114.58 120.44 1b4q h GLU 55 Ca 0.08 -0.14 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 1b4q h GLU 55 Cb 0.35 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 1b4q h GLU 55 CO -0.00 0.62 -0.12 0.82 -1.16 0.00 0.00 179.01 179.16 1b4q h ILE 56 N 0.46 0.79 -0.89 3.13 5.03 -0.94 -0.86 117.51 124.22 1b4q h ILE 56 Ca 0.12 -0.59 0.08 0.00 -0.12 0.00 0.00 64.86 64.35 1b4q h ILE 56 Cb 0.28 1.11 -0.07 0.00 -3.03 0.00 0.00 36.82 35.11 1b4q h ILE 56 CO -0.00 0.12 0.54 1.56 -0.68 0.00 0.00 178.15 179.70 1b4q h GLN 57 N -0.67 0.92 -0.62 2.37 4.20 -1.45 0.92 115.11 120.79 1b4q h GLN 57 Ca -0.04 -0.06 0.11 0.00 0.06 0.00 0.00 58.65 58.73 1b4q h GLN 57 Cb 0.47 -0.21 -0.04 0.00 0.30 0.00 0.00 27.48 28.00 1b4q h GLN 57 CO 0.06 0.61 0.42 -0.44 -0.67 0.00 0.00 178.83 178.81 1b4q h ASP 58 N 0.95 0.34 0.03 1.46 5.19 0.04 0.36 116.42 124.79 1b4q h ASP 58 Ca 0.40 0.01 -0.07 0.00 -0.62 0.00 0.00 57.03 56.75 1b4q h ASP 58 Cb 0.27 -0.06 0.01 0.00 0.18 0.00 0.00 39.33 39.72 1b4q h ASP 58 CO -0.21 0.20 -0.29 0.22 -3.12 0.00 0.00 179.24 176.04 1b4q h TYR 59 N 0.37 0.25 -0.84 4.55 3.20 0.20 -3.10 116.97 121.60 1b4q h TYR 59 Ca 0.29 -0.15 0.14 0.00 3.14 0.00 0.00 58.73 62.15 1b4q h TYR 59 Cb 0.64 -0.02 -0.06 0.00 1.54 0.00 0.00 36.73 38.82 1b4q h TYR 59 CO -0.00 1.02 0.55 -0.07 -1.64 0.00 0.00 178.16 178.02 1b4q h LEU 60 N -0.60 0.56 0.05 2.82 3.38 0.14 -0.62 115.31 121.05 1b4q h LEU 60 Ca -0.04 0.03 0.01 0.00 0.09 0.00 0.00 57.88 57.97 1b4q h LEU 60 Cb 1.12 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 1b4q h LEU 60 CO 0.06 0.29 -0.10 -0.61 0.09 0.00 0.00 178.44 178.17 1b4q h GLN 61 N 0.60 -0.18 0.20 1.13 5.75 -0.33 0.42 115.11 122.69 1b4q h GLN 61 Ca 0.41 0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.92 1b4q h GLN 61 Cb 0.75 0.04 0.00 0.00 1.07 0.00 0.00 27.48 29.34 1b4q h GLN 61 CO -0.17 -0.12 -0.10 0.37 -2.65 0.00 0.00 178.83 176.16 1b4q h GLN 62 N -0.19 -0.26 -0.13 1.69 4.15 -1.09 0.78 115.11 120.05 1b4q h GLN 62 Ca 0.02 0.02 -0.05 0.00 0.77 0.00 0.00 58.65 59.40 1b4q h GLN 62 Cb 0.21 0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.95 1b4q h GLN 62 CO -0.06 0.05 -0.15 1.25 -1.93 0.00 0.00 178.83 177.99 1b4q h LEU 63 N -0.59 0.19 0.00 -2.39 6.46 -1.19 -3.39 115.31 114.40 1b4q h LEU 63 Ca -0.03 -0.04 0.00 0.00 -0.12 0.00 0.00 57.88 57.69 1b4q h LEU 63 Cb 0.44 -0.05 0.00 0.00 -0.73 0.00 0.00 40.66 40.32 1b4q h LEU 63 CO 0.05 0.37 0.00 0.35 -0.62 0.00 0.00 178.44 178.58 1b4q n THR 64 N -4.26 0.00 0.00 1.05 -2.24 0.14 -5.06 114.28 103.91 1b4q n THR 64 Ca -0.01 0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.95 1b4q n THR 64 Cb 0.28 -1.16 0.00 0.00 -2.10 0.00 0.00 70.33 67.35 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 2.78 3.72 3.75 3.38 0.00 0.27 -4.98 105.19 114.11 1b4q n GLY 65 Ca 0.00 -0.55 -0.36 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 3.69 -0.52 4.61 0.00 -1.26 -4.73 121.76 123.55 1b4q s ALA 66 Ca 0.00 -0.60 0.02 0.00 0.00 0.00 0.00 51.96 51.38 1b4q s ALA 66 Cb 0.00 -2.22 0.60 0.00 0.00 0.00 0.00 23.12 21.51 1b4q s ALA 66 CO 0.00 0.21 1.96 2.89 0.00 0.00 0.00 175.76 180.82 1b4q n ARG 67 N 3.28 2.38 -2.05 0.00 -4.01 -1.26 -4.38 116.66 110.62 1b4q n ARG 67 Ca -0.15 -3.09 -0.28 0.00 -1.04 0.00 0.00 57.85 53.28 1b4q n ARG 67 Cb 0.52 -2.21 0.13 0.00 -3.04 0.00 0.00 32.46 27.86 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 -3.76 2.07 -0.04 8.89 2.01 -1.26 -5.02 115.64 118.53 1b4q s THR 68 Ca 0.59 -0.12 0.06 0.00 0.31 0.00 0.00 61.69 62.53 1b4q s THR 68 Cb 0.49 -2.95 -0.01 0.00 0.01 0.00 0.00 72.50 70.04 1b4q s THR 68 CO 0.07 0.00 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.09 1b4q s VAL 69 N -3.59 1.80 0.33 3.82 1.01 -1.26 -4.26 120.40 118.25 1b4q s VAL 69 Ca 0.67 -0.94 -0.04 0.00 0.00 0.00 0.00 61.98 61.67 1b4q s VAL 69 Cb -0.07 -1.52 0.07 0.00 0.00 0.00 0.00 36.38 34.86 1b4q s VAL 69 CO 0.49 0.51 0.45 -0.81 0.00 0.00 0.00 175.10 175.73 1b4q n PRO 70 N 2.87 -0.16 -3.64 2.72 -0.04 -1.26 -4.37 135.00 131.12 1b4q n PRO 70 Ca -0.17 -0.86 -0.29 0.00 -0.04 0.00 0.00 63.50 62.14 1b4q n PRO 70 Cb 0.52 -0.41 -0.15 0.00 -0.04 0.00 0.00 33.50 33.42 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 -3.81 0.42 0.44 0.54 1.81 -0.58 -4.04 118.95 113.73 1b4q s ARG 71 Ca 0.27 -0.64 -0.05 0.00 -1.72 0.00 0.00 55.73 53.59 1b4q s ARG 71 Cb -0.01 -1.65 -0.04 0.00 -0.45 0.00 0.00 34.95 32.80 1b4q s ARG 71 CO 0.18 -0.91 0.73 0.08 -0.68 0.00 0.00 175.30 174.71 1b4q s VAL 72 N 1.91 4.93 -0.39 3.52 1.01 -1.18 -1.69 120.40 128.51 1b4q s VAL 72 Ca 0.07 0.15 0.03 0.00 0.00 0.00 0.00 61.98 62.22 1b4q s VAL 72 Cb -0.17 -3.84 0.16 0.00 0.00 0.00 0.00 36.38 32.53 1b4q s VAL 72 CO -0.26 -0.73 0.35 -0.36 0.00 0.00 0.00 175.10 174.10 1b4q s PHE 73 N -2.59 0.14 -0.42 5.22 0.08 -0.89 -3.57 117.98 115.94 1b4q s PHE 73 Ca 0.47 -1.31 -0.28 0.00 0.12 0.00 0.00 56.93 55.92 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 1.02 3.63 0.00 0.64 1.09 -1.04 -3.56 121.20 122.97 1b4q s ILE 74 Ca 0.21 0.60 0.00 0.00 -1.10 0.00 0.00 60.65 60.36 1b4q s ILE 74 Cb -0.12 -3.95 0.00 0.00 -1.06 0.00 0.00 42.46 37.32 1b4q s ILE 74 CO -0.05 -0.68 0.00 0.61 -0.10 0.00 0.00 174.94 174.72 1b4q n GLY 75 N 5.34 0.24 0.09 6.18 0.00 -0.22 -2.48 105.19 114.35 1b4q n GLY 75 Ca 0.19 -0.90 0.15 0.00 0.00 0.00 0.00 46.02 45.46 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 0.78 -3.09 1.61 5.02 -1.26 -4.45 118.16 116.78 1b4q n LYS 76 Ca 0.00 -0.18 -0.41 0.00 -2.02 0.00 0.00 58.31 55.69 1b4q n LYS 76 Cb 0.00 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.45 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 -2.34 6.52 0.58 4.39 1.11 -1.03 -5.05 116.67 120.84 1b4q s ASP 77 Ca 0.34 0.44 -0.17 0.00 0.18 0.00 0.00 52.55 53.34 1b4q s ASP 77 Cb 0.21 -2.34 -0.04 0.00 1.07 0.00 0.00 42.92 41.81 1b4q s ASP 77 CO 0.43 -0.51 1.08 -0.55 1.18 0.00 0.00 175.17 176.80 1b4q s SER 78 N 1.65 5.74 -0.06 0.27 0.15 -1.26 -2.50 113.70 117.69 1b4q s SER 78 Ca 0.26 1.94 0.06 0.00 0.70 0.00 0.00 55.95 58.91 1b4q s SER 78 Cb -0.15 -2.55 -0.09 0.00 -1.71 0.00 0.00 66.02 61.53 1b4q s SER 78 CO 0.12 -1.20 0.03 2.30 1.20 0.00 0.00 173.24 175.70 1b4q n ILE 79 N -1.78 0.42 0.00 6.45 -5.35 -1.23 -4.88 119.36 112.99 1b4q n ILE 79 Ca 0.10 -0.28 0.00 0.00 -0.27 0.00 0.00 62.75 62.30 1b4q n ILE 79 Cb 0.52 -0.72 0.00 0.00 -1.74 0.00 0.00 39.64 37.70 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 2.54 0.38 0.00 3.28 0.00 -1.26 -4.82 105.19 105.31 1b4q n GLY 80 Ca -0.10 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.85 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 4.37 0.21 -0.02 0.00 -1.26 -3.09 105.19 105.40 1b4q n GLY 81 Ca 0.00 -1.75 -0.10 0.00 0.00 0.00 0.00 46.02 44.17 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 -0.39 -0.55 1.61 0.87 -1.80 -1.91 113.55 111.38 1b4q h SER 82 Ca 0.00 -0.11 0.16 0.00 -1.23 0.00 0.00 61.79 60.60 1b4q h SER 82 Cb 0.00 0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.04 1b4q h SER 82 CO 0.00 0.07 0.48 -1.28 -0.53 0.00 0.00 176.83 175.58 1b4q h SER 83 N -1.03 0.00 -0.01 6.23 0.87 -1.95 0.04 113.55 117.71 1b4q h SER 83 Ca -0.05 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.49 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 0.08 0.00 -0.07 -0.78 -0.53 0.00 0.00 176.83 175.53 1b4q h ASP 84 N 0.00 0.08 0.26 6.23 1.82 -1.89 -2.67 116.42 120.26 1b4q h ASP 84 Ca 0.26 -0.68 0.00 0.00 -0.39 0.00 0.00 57.03 56.22 1b4q h ASP 84 Cb 1.22 -0.02 -0.03 0.00 0.68 0.00 0.00 39.33 41.18 1b4q h ASP 84 CO -0.00 0.75 -0.48 0.25 -1.61 0.00 0.00 179.24 178.15 1b4q h LEU 85 N -0.58 -1.38 -0.50 2.28 6.46 -0.17 -1.92 115.31 119.51 1b4q h LEU 85 Ca -0.01 0.13 0.10 0.00 -0.12 0.00 0.00 57.88 57.99 1b4q h LEU 85 Cb 0.75 0.49 -0.09 0.00 -0.73 0.00 0.00 40.66 41.08 1b4q h LEU 85 CO 0.01 -0.55 -0.06 -0.37 -0.62 0.00 0.00 178.44 176.85 1b4q h VAL 86 N -0.79 0.55 -0.63 1.05 -1.51 -1.53 0.12 116.25 113.51 1b4q h VAL 86 Ca -0.03 -0.02 0.13 0.00 -1.23 0.00 0.00 66.70 65.56 1b4q h VAL 86 Cb 0.74 0.50 -0.11 0.00 -2.13 0.00 0.00 31.29 30.29 1b4q h VAL 86 CO -0.18 0.01 -0.03 -1.28 -1.23 0.00 0.00 177.57 174.86 1b4q h SER 87 N 0.05 -0.34 -0.35 4.19 0.87 -1.06 -0.71 113.55 116.20 1b4q h SER 87 Ca 0.25 0.16 -0.16 0.00 -1.23 0.00 0.00 61.79 60.81 1b4q h SER 87 Cb 0.38 0.30 -0.01 0.00 -0.44 0.00 0.00 62.40 62.63 1b4q h SER 87 CO -0.47 -0.14 -0.41 -0.07 -0.53 0.00 0.00 176.83 175.21 1b4q h LEU 88 N 0.09 0.98 0.73 2.23 3.38 -0.36 -2.55 115.31 119.81 1b4q h LEU 88 Ca 0.32 -0.46 -0.04 0.00 0.09 0.00 0.00 57.88 57.80 1b4q h LEU 88 Cb 0.53 -0.28 0.01 0.00 0.09 0.00 0.00 40.66 41.01 1b4q h LEU 88 CO -0.56 1.26 -0.35 -0.61 0.09 0.00 0.00 178.44 178.27 1b4q h GLN 89 N 0.74 -0.94 0.00 1.13 -0.00 0.55 0.24 115.11 116.83 1b4q h GLN 89 Ca 0.05 0.06 -0.01 0.00 -0.00 0.00 0.00 58.65 58.76 1b4q h GLN 89 Cb 1.01 0.21 -0.00 0.00 0.00 0.00 0.00 27.48 28.70 1b4q h GLN 89 CO 0.10 -0.61 -0.05 -0.56 0.00 0.00 0.00 178.83 177.71 1b4q h GLN 90 N -1.03 0.00 0.00 1.69 3.07 -1.30 -0.21 115.11 117.33 1b4q h GLN 90 Ca -0.10 0.00 -0.05 0.00 0.09 0.00 0.00 58.65 58.60 1b4q h GLN 90 Cb 0.76 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.31 1b4q h GLN 90 CO 0.16 0.05 -0.38 0.77 0.09 0.00 0.00 178.83 179.52 1b4q h SER 91 N 0.00 0.00 0.00 0.06 0.02 -0.99 -3.47 113.55 109.17 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 0.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.70 1b4q h SER 91 CO 0.01 0.20 0.00 0.61 -1.14 0.00 0.00 176.83 176.51 1b4q n GLY 92 N 1.17 1.55 0.20 -3.77 0.00 0.79 -4.88 105.19 100.25 1b4q n GLY 92 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 2.97 0.14 0.77 1.61 4.81 -1.64 -2.95 114.58 120.30 1b4q h GLU 93 Ca 0.00 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.14 1b4q h GLU 93 Cb 0.00 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.37 1b4q h GLU 93 CO 0.00 0.50 -0.48 1.25 -0.73 0.00 0.00 179.01 179.55 1b4q h LEU 94 N 0.13 -1.21 -1.77 1.64 5.85 -1.73 0.77 115.31 118.99 1b4q h LEU 94 Ca 0.01 0.07 0.13 0.00 0.84 0.00 0.00 57.88 58.93 1b4q h LEU 94 Cb 0.72 0.35 -0.03 0.00 0.37 0.00 0.00 40.66 42.07 1b4q h LEU 94 CO 0.05 -0.73 0.41 0.17 -0.34 0.00 0.00 178.44 178.00 1b4q h LEU 95 N -1.17 0.22 -0.41 2.25 8.10 -1.83 0.26 115.31 122.73 1b4q h LEU 95 Ca -0.10 0.01 -0.03 0.00 0.11 0.00 0.00 57.88 57.86 1b4q h LEU 95 Cb 0.94 -0.04 -0.02 0.00 -0.44 0.00 0.00 40.66 41.10 1b4q h LEU 95 CO 0.10 0.12 0.13 0.74 -4.11 0.00 0.00 178.44 175.43 1b4q h THR 96 N 0.24 1.22 -0.68 0.15 2.02 -1.18 0.56 112.91 115.24 1b4q h THR 96 Ca 0.29 -0.71 -0.01 0.00 0.77 0.00 0.00 66.41 66.74 1b4q h THR 96 Cb 0.79 0.90 -0.03 0.00 -1.74 0.00 0.00 68.15 68.07 1b4q h THR 96 CO -0.06 0.25 0.37 -0.09 0.37 0.00 0.00 175.52 176.37 1b4q h ARG 97 N 0.53 0.95 -0.11 6.66 2.43 0.18 -0.34 114.38 124.67 1b4q h ARG 97 Ca 0.13 -0.10 -0.15 0.00 -0.81 0.00 0.00 59.98 59.05 1b4q h ARG 97 Cb 0.26 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 1b4q h ARG 97 CO -0.00 0.70 -0.58 -0.07 -1.51 0.00 0.00 179.97 178.51 1b4q h LEU 98 N 0.95 0.39 0.48 3.80 4.07 -0.49 -3.29 115.31 121.23 1b4q h LEU 98 Ca 0.24 -0.21 -0.02 0.00 0.08 0.00 0.00 57.88 57.97 1b4q h LEU 98 Cb 0.03 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 41.66 1b4q h LEU 98 CO -0.04 0.88 -0.23 0.50 -1.08 0.00 0.00 178.44 178.47 1b4q h LYS 99 N 0.26 -0.63 -1.12 1.13 3.64 0.17 1.27 116.57 121.30 1b4q h LYS 99 Ca -0.00 0.04 0.31 0.00 -1.27 0.00 0.00 60.65 59.74 1b4q h LYS 99 Cb 1.09 0.14 -0.07 0.00 -0.41 0.00 0.00 32.23 32.97 1b4q h LYS 99 CO 0.10 -0.32 0.77 -0.56 -2.27 0.00 0.00 179.45 177.16 1b4q h GLN 100 N -0.93 0.18 -0.00 1.90 3.07 -1.24 0.45 115.11 118.53 1b4q h GLN 100 Ca -0.07 -0.01 0.00 0.00 0.09 0.00 0.00 58.65 58.66 1b4q h GLN 100 Cb 0.59 -0.04 0.00 0.00 0.08 0.00 0.00 27.48 28.11 1b4q h GLN 100 CO 0.11 0.12 -0.86 0.44 0.09 0.00 0.00 178.83 178.72 1b4q n ILE 101 N -4.41 0.00 -2.69 1.86 -5.35 -1.17 -4.98 119.36 102.61 1b4q n ILE 101 Ca 0.26 -0.07 -0.06 0.00 -0.27 0.00 0.00 62.75 62.62 1b4q n ILE 101 Cb 1.09 1.03 0.02 0.00 -1.74 0.00 0.00 39.64 40.04 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 0.51 0.09 3.28 0.00 0.18 -4.62 105.19 106.08 1b4q n GLY 102 Ca 0.04 -0.42 0.12 0.00 0.00 0.00 0.00 46.02 45.76 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 0.25 0.73 -4.63 4.61 0.00 0.11 -3.46 119.26 116.87 1b4q h ALA 103 Ca -0.14 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.62 1b4q h ALA 103 Cb 1.09 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.90 1b4q h ALA 103 CO 0.14 0.00 -0.00 1.47 0.00 0.00 0.00 179.25 180.85 1b4q n LEU 104 N -2.24 0.00 0.00 0.00 -0.00 -1.25 -3.07 117.00 110.43 1b4q n LEU 104 Ca 0.04 -0.74 0.14 0.00 -0.00 0.00 0.00 56.01 55.45 1b4q n LEU 104 Cb 0.45 -0.15 0.84 0.00 -0.00 0.00 0.00 43.42 44.56 1b4q n LEU 104 CO 0.35 -0.59 1.01 0.00 -0.00 0.00 0.00 177.39 178.16