#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1q n ARG 2 N 0.00 0.00 -0.14 0.00 5.12 -1.26 -4.88 116.66 115.49 3i1q n ARG 2 Ca 0.00 0.00 -0.09 0.00 -1.93 0.00 0.00 57.85 55.83 3i1q n ARG 2 Cb 0.00 -0.85 -0.00 0.00 -1.16 0.00 0.00 32.46 30.45 3i1q n ARG 2 CO 0.00 0.00 0.00 -0.92 -1.93 0.00 0.00 177.63 174.78 3i1q h TYR 3 N 1.01 0.64 0.00 -1.55 3.20 -2.04 -3.46 116.97 114.78 3i1q h TYR 3 Ca -0.25 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.57 3i1q h TYR 3 Cb 1.15 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 39.23 3i1q h TYR 3 CO 0.35 0.56 0.00 1.28 -1.64 0.00 0.00 178.16 178.71 3i1q n LEU 4 N -4.63 0.99 0.00 2.82 4.32 -1.26 -4.92 117.00 114.32 3i1q n LEU 4 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 3i1q n LEU 4 Cb 0.15 -2.30 0.00 0.00 -1.62 0.00 0.00 43.42 39.65 3i1q n LEU 4 CO 0.37 -0.90 0.00 0.61 -1.22 0.00 0.00 177.39 176.25 3i1q n GLY 5 N 0.47 0.48 3.61 -0.72 0.00 -1.26 -5.01 105.19 102.76 3i1q n GLY 5 Ca 0.00 -1.56 -0.42 0.00 0.00 0.00 0.00 46.02 44.04 3i1q n GLY 5 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3i1q s PRO 6 N 0.25 3.91 0.34 1.61 0.02 -1.26 -4.99 135.00 134.87 3i1q s PRO 6 Ca 0.00 0.50 0.05 0.00 0.02 0.00 0.00 61.00 61.57 3i1q s PRO 6 Cb 0.00 -3.75 0.60 0.00 0.02 0.00 0.00 34.50 31.38 3i1q s PRO 6 CO 0.00 -0.71 1.85 1.57 -0.33 0.00 0.00 177.00 179.38 3i1q h LYS 7 N 8.21 0.44 0.02 5.54 2.10 -1.99 -3.22 116.57 127.67 3i1q h LYS 7 Ca -0.25 -0.11 -0.10 0.00 -2.00 0.00 0.00 60.65 58.19 3i1q h LYS 7 Cb 1.10 -0.05 0.01 0.00 -0.90 0.00 0.00 32.23 32.38 3i1q h LYS 7 CO 0.88 0.54 -0.40 -0.07 -2.00 0.00 0.00 179.45 178.40 3i1q h LEU 8 N 0.41 0.31 -0.83 7.07 -0.00 -1.99 -2.74 115.31 117.54 3i1q h LEU 8 Ca 0.08 -0.83 0.11 0.00 -0.00 0.00 0.00 57.88 57.24 3i1q h LEU 8 Cb 0.42 -0.10 -0.13 0.00 -0.00 0.00 0.00 40.66 40.86 3i1q h LEU 8 CO 0.02 1.10 -0.46 0.50 -0.00 0.00 0.00 178.44 179.61 3i1q h LYS 9 N -0.44 -0.09 0.41 1.13 3.64 -1.95 0.25 116.57 119.52 3i1q h LYS 9 Ca -0.06 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.32 3i1q h LYS 9 Cb 1.19 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 33.01 3i1q h LYS 9 CO 0.08 -0.06 -0.33 1.25 -2.27 0.00 0.00 179.45 178.12 3i1q h LEU 10 N -0.09 -0.87 -0.78 5.20 6.46 -1.66 -2.57 115.31 121.00 3i1q h LEU 10 Ca 0.23 0.07 0.18 0.00 -0.12 0.00 0.00 57.88 58.24 3i1q h LEU 10 Cb 0.54 0.28 -0.14 0.00 -0.73 0.00 0.00 40.66 40.61 3i1q h LEU 10 CO -0.86 -0.49 -0.02 -1.28 -0.62 0.00 0.00 178.44 175.18 3i1q h SER 11 N -0.74 -0.41 0.29 1.25 0.87 -0.69 0.29 113.55 114.40 3i1q h SER 11 Ca -0.04 0.21 -0.00 0.00 -1.23 0.00 0.00 61.79 60.73 3i1q h SER 11 Cb 0.64 0.38 -0.02 0.00 -0.44 0.00 0.00 62.40 62.96 3i1q h SER 11 CO -0.01 -0.21 -0.40 0.03 -0.53 0.00 0.00 176.83 175.71 3i1q h ARG 12 N 0.08 -0.69 -1.00 2.24 3.08 -0.39 -2.98 114.38 114.72 3i1q h ARG 12 Ca 0.43 0.05 0.21 0.00 0.07 0.00 0.00 59.98 60.74 3i1q h ARG 12 Cb 0.75 0.16 -0.11 0.00 0.08 0.00 0.00 29.97 30.85 3i1q h ARG 12 CO -0.71 -0.46 0.61 -0.09 -1.07 0.00 0.00 179.97 178.26 3i1q h ARG 13 N -0.71 0.64 0.00 0.04 9.65 -0.56 -1.88 114.38 121.56 3i1q h ARG 13 Ca -0.03 -0.04 -0.06 0.00 -1.10 0.00 0.00 59.98 58.75 3i1q h ARG 13 Cb 0.65 -0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 29.07 3i1q h ARG 13 CO -0.11 0.42 -0.27 0.93 2.80 0.00 0.00 179.97 183.74 3i1q h GLU 14 N 0.65 0.00 0.00 0.20 4.39 -1.25 -3.47 114.58 115.10 3i1q h GLU 14 Ca 0.59 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.29 3i1q h GLU 14 Cb 1.07 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.72 3i1q h GLU 14 CO -0.39 0.27 0.00 0.41 -1.16 0.00 0.00 179.01 178.14 3i1q n GLY 15 N -0.77 1.18 3.64 -3.84 0.00 -0.71 -4.97 105.19 99.71 3i1q n GLY 15 Ca -0.02 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.96 3i1q n GLY 15 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i1q s THR 16 N -2.00 0.00 0.10 2.61 2.01 -1.25 -5.12 115.64 111.98 3i1q s THR 16 Ca 0.00 0.00 -0.31 0.00 0.31 0.00 0.00 61.69 61.69 3i1q s THR 16 Cb 0.00 -1.00 -0.08 0.00 0.01 0.00 0.00 72.50 71.43 3i1q s THR 16 CO 0.00 0.00 1.39 -0.62 -0.69 0.00 0.00 174.62 174.70 3i1q s ASP 17 N -0.60 6.83 -0.17 3.53 3.68 -1.26 -4.77 116.67 123.91 3i1q s ASP 17 Ca 0.07 2.29 0.14 0.00 2.13 0.00 0.00 52.55 57.18 3i1q s ASP 17 Cb -0.02 -2.58 0.71 0.00 -1.45 0.00 0.00 42.92 39.57 3i1q s ASP 17 CO -0.09 -0.66 1.59 0.18 0.13 0.00 0.00 175.17 176.32 3i1q n LEU 18 N 4.20 4.94 -3.41 -1.34 4.77 -1.26 -4.92 117.00 119.98 3i1q n LEU 18 Ca 0.12 -2.50 -0.18 0.00 -0.03 0.00 0.00 56.01 53.42 3i1q n LEU 18 Cb 0.43 -0.63 0.07 0.00 -2.33 0.00 0.00 43.42 40.96 3i1q n LEU 18 CO 0.59 0.64 0.03 0.49 -1.33 0.00 0.00 177.39 177.81 3i1q n PHE 19 N 0.72 -2.26 -0.09 -1.77 3.01 -1.26 -4.76 117.46 111.06 3i1q n PHE 19 Ca 0.24 0.84 -0.16 0.00 1.01 0.00 0.00 57.45 59.38 3i1q n PHE 19 Cb 1.00 -4.37 -0.07 0.00 -0.01 0.00 0.00 39.48 36.03 3i1q n PHE 19 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 3i1q n LEU 20 N -3.73 2.04 0.20 4.37 4.77 -1.26 -4.46 117.00 118.94 3i1q n LEU 20 Ca -0.17 0.08 0.07 0.00 -0.03 0.00 0.00 56.01 55.97 3i1q n LEU 20 Cb 0.64 -0.56 0.42 0.00 -2.33 0.00 0.00 43.42 41.58 3i1q n LEU 20 CO 0.62 0.56 0.75 0.50 -1.33 0.00 0.00 177.39 178.49 3i1q h LYS 21 N -0.37 0.00 0.00 3.23 3.11 -1.92 -3.43 116.57 117.20 3i1q h LYS 21 Ca -0.43 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.41 3i1q h LYS 21 Cb 1.49 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.72 3i1q h LYS 21 CO -0.18 0.31 0.00 0.43 -2.81 0.00 0.00 179.45 177.20 3i1q n SER 22 N -3.58 0.00 0.00 4.20 7.64 -1.26 -4.55 113.62 116.07 3i1q n SER 22 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.87 3i1q n SER 22 Cb 0.44 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.64 3i1q n SER 22 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i1q n GLY 23 N 0.00 0.94 0.00 0.23 0.00 -1.26 -3.41 105.19 101.69 3i1q n GLY 23 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3i1q n GLY 23 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3i1q n VAL 24 N 0.00 0.00 -4.09 1.61 0.31 -1.26 -4.90 118.33 110.00 3i1q n VAL 24 Ca 0.00 0.83 -0.09 0.00 -0.01 0.00 0.00 64.34 65.07 3i1q n VAL 24 Cb 0.00 -1.66 -0.02 0.00 -0.91 0.00 0.00 33.84 31.25 3i1q n VAL 24 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40 3i1q n ARG 25 N -0.45 1.55 0.00 5.55 -4.01 -1.22 -4.98 116.66 113.11 3i1q n ARG 25 Ca 0.00 -1.07 0.00 0.00 -1.04 0.00 0.00 57.85 55.74 3i1q n ARG 25 Cb 0.00 0.25 0.00 0.00 -3.04 0.00 0.00 32.46 29.67 3i1q n ARG 25 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 3i1q n ALA 26 N -2.55 0.00 -3.32 2.89 0.00 -1.26 -4.25 120.51 112.01 3i1q n ALA 26 Ca -0.06 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.29 3i1q n ALA 26 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.64 3i1q n ALA 26 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3i1q n ILE 27 N 0.00 -7.81 0.00 0.00 5.41 -1.26 -4.71 119.36 110.98 3i1q n ILE 27 Ca 0.00 -0.22 0.00 0.00 1.00 0.00 0.00 62.75 63.53 3i1q n ILE 27 Cb 0.00 -5.55 0.00 0.00 -0.71 0.00 0.00 39.64 33.38 3i1q n ILE 27 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 3i1q n ASP 28 N -2.11 0.00 -1.16 4.38 3.85 -1.26 -4.95 116.55 115.30 3i1q n ASP 28 Ca -0.11 0.00 0.15 0.00 -0.71 0.00 0.00 54.79 54.12 3i1q n ASP 28 Cb 0.57 0.00 -0.06 0.00 -1.35 0.00 0.00 41.12 40.28 3i1q n ASP 28 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.20 176.60 3i1q n THR 29 N 0.00 -0.20 -3.78 2.12 -1.04 -1.26 -4.89 114.28 105.24 3i1q n THR 29 Ca 0.00 0.49 -0.34 0.00 -2.04 0.00 0.00 64.05 62.16 3i1q n THR 29 Cb 0.00 -0.88 0.04 0.00 -1.82 0.00 0.00 70.33 67.66 3i1q n THR 29 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 3i1q n LYS 30 N -3.94 -1.13 0.00 -2.82 4.01 -1.26 -4.67 118.16 108.35 3i1q n LYS 30 Ca -0.04 0.37 0.00 0.00 -0.51 0.00 0.00 58.31 58.13 3i1q n LYS 30 Cb 0.54 -3.81 0.00 0.00 -0.51 0.00 0.00 35.03 31.25 3i1q n LYS 30 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3i1q n LYS 32 N 0.00 0.00 -1.29 0.00 4.01 -1.26 -5.01 118.16 114.61 3i1q n LYS 32 Ca 0.00 0.00 -0.56 0.00 -0.51 0.00 0.00 58.31 57.24 3i1q n LYS 32 Cb 0.00 -0.58 -0.12 0.00 -0.51 0.00 0.00 35.03 33.82 3i1q n LYS 32 CO 0.00 0.00 0.00 1.51 -1.11 0.00 0.00 177.40 177.80 3i1q n ILE 33 N -1.05 0.00 0.00 -0.18 0.13 -1.26 -3.31 119.36 113.69 3i1q n ILE 33 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.65 3i1q n ILE 33 Cb 0.10 -0.50 0.00 0.00 -0.84 0.00 0.00 39.64 38.40 3i1q n ILE 33 CO 0.00 0.00 0.00 1.21 2.80 0.00 0.00 176.55 180.56 3i1q n GLU 34 N 7.63 0.00 0.00 9.51 4.07 -1.26 -4.87 120.64 135.72 3i1q n GLU 34 Ca 0.57 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.67 3i1q n GLU 34 Cb -0.03 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.35 3i1q n GLU 34 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 3i1q n GLN 35 N 0.00 0.38 0.00 5.31 6.02 -1.21 -3.73 117.38 124.15 3i1q n GLN 35 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3i1q n GLN 35 Cb 0.00 -1.03 0.00 0.00 1.02 0.00 0.00 30.24 30.23 3i1q n GLN 35 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3i1q n ALA 36 N -0.36 0.00 0.30 -1.58 0.00 -1.26 -2.79 120.51 114.82 3i1q n ALA 36 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i1q n ALA 36 Cb 0.02 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.49 3i1q n ALA 36 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3i1q n PRO 37 N 0.00 0.15 0.00 0.00 -0.02 -1.24 -4.76 135.00 129.13 3i1q n PRO 37 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3i1q n PRO 37 Cb 0.00 -1.09 0.00 0.00 -0.02 0.00 0.00 33.50 32.39 3i1q n PRO 37 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i1q n GLY 38 N -0.41 1.49 0.02 -1.23 0.00 -1.26 -4.88 105.19 98.93 3i1q n GLY 38 Ca 0.01 0.17 0.09 0.00 0.00 0.00 0.00 46.02 46.29 3i1q n GLY 38 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3i1q n GLN 39 N 0.00 0.66 -1.64 1.61 7.27 -1.26 -4.37 117.38 119.65 3i1q n GLN 39 Ca 0.00 -0.16 -0.08 0.00 0.07 0.00 0.00 57.00 56.83 3i1q n GLN 39 Cb 0.00 -1.54 0.08 0.00 2.41 0.00 0.00 30.24 31.19 3i1q n GLN 39 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 3i1q n HIS 40 N -2.33 1.38 -0.10 3.69 8.25 -1.26 -4.79 115.22 120.05 3i1q n HIS 40 Ca -0.06 -1.80 -0.03 0.00 -0.26 0.00 0.00 57.72 55.57 3i1q n HIS 40 Cb 0.62 -0.28 0.19 0.00 1.12 0.00 0.00 29.99 31.65 3i1q n HIS 40 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 3i1q h GLY 41 N 1.75 0.83 1.97 -1.41 0.00 -1.81 -1.58 103.07 102.82 3i1q h GLY 41 Ca 0.12 -0.51 0.00 0.00 0.00 0.00 0.00 47.33 46.94 3i1q h GLY 41 CO 0.37 0.47 0.02 0.00 0.00 0.00 0.00 176.54 177.40 3i1q h ALA 42 N 1.33 1.02 -2.30 3.60 0.00 -1.80 -3.38 119.26 117.72 3i1q h ALA 42 Ca 0.15 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.53 3i1q h ALA 42 Cb 0.36 0.00 0.20 0.00 0.00 0.00 0.00 17.79 18.35 3i1q h ALA 42 CO 0.01 -0.02 -0.33 0.54 0.00 0.00 0.00 179.25 179.46 3i1q n ARG 43 N -2.98 -0.12 -3.41 0.00 5.12 -0.60 -4.94 116.66 109.72 3i1q n ARG 43 Ca -0.03 0.02 -0.43 0.00 -1.93 0.00 0.00 57.85 55.48 3i1q n ARG 43 Cb 0.08 -1.99 -0.02 0.00 -1.16 0.00 0.00 32.46 29.38 3i1q n ARG 43 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 3i1q s LYS 44 N -3.63 3.94 -0.93 5.56 2.20 -1.26 -5.01 119.74 120.61 3i1q s LYS 44 Ca 0.62 -3.19 -0.25 0.00 -0.36 0.00 0.00 55.97 52.79 3i1q s LYS 44 Cb -0.25 -4.40 -0.10 0.00 -1.51 0.00 0.00 37.83 31.57 3i1q s LYS 44 CO 0.62 -1.25 2.10 -2.14 -0.36 0.00 0.00 175.35 174.32 3i1q s PRO 45 N -1.20 2.11 -1.24 4.03 0.02 -1.26 -4.86 135.00 132.59 3i1q s PRO 45 Ca 0.29 -0.21 -0.19 0.00 0.02 0.00 0.00 61.00 60.91 3i1q s PRO 45 Cb -0.09 -5.00 -0.00 0.00 0.02 0.00 0.00 34.50 29.43 3i1q s PRO 45 CO -0.09 -4.02 1.86 0.54 -0.33 0.00 0.00 177.00 174.96 3i1q n ARG 46 N 8.69 2.53 -2.83 5.54 1.74 -1.26 -4.96 116.66 126.10 3i1q n ARG 46 Ca 0.43 -2.85 -0.33 0.00 -0.77 0.00 0.00 57.85 54.33 3i1q n ARG 46 Cb 0.46 -3.52 -0.07 0.00 -1.02 0.00 0.00 32.46 28.31 3i1q n ARG 46 CO 0.00 0.00 0.00 -0.48 -1.52 0.00 0.00 177.63 175.63 3i1q s LEU 47 N 6.05 3.98 0.00 0.55 2.34 -1.26 -5.06 118.68 125.28 3i1q s LEU 47 Ca 0.58 1.68 0.00 0.00 0.06 0.00 0.00 54.13 56.45 3i1q s LEU 47 Cb 0.04 -4.47 0.00 0.00 -0.56 0.00 0.00 46.19 41.20 3i1q s LEU 47 CO 0.08 -0.33 0.00 -1.54 -1.06 0.00 0.00 176.35 173.51 3i1q n SER 48 N -0.53 -1.09 -0.02 1.48 3.41 -1.26 -4.80 113.62 110.81 3i1q n SER 48 Ca 0.06 -0.33 -0.12 0.00 -0.26 0.00 0.00 58.87 58.23 3i1q n SER 48 Cb 0.54 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.38 3i1q n SER 48 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 3i1q h ASP 49 N -1.09 -0.04 -0.99 4.04 -0.00 -2.00 -3.16 116.42 113.17 3i1q h ASP 49 Ca 0.00 -0.65 0.16 0.00 -0.00 0.00 0.00 57.03 56.54 3i1q h ASP 49 Cb 0.00 0.01 -0.10 0.00 -0.00 0.00 0.00 39.33 39.24 3i1q h ASP 49 CO 0.00 0.68 0.61 0.22 -0.00 0.00 0.00 179.24 180.74 3i1q h TYR 50 N -0.81 1.08 0.00 0.28 3.20 -1.97 -1.09 116.97 117.66 3i1q h TYR 50 Ca -0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 3i1q h TYR 50 Cb 0.69 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 38.62 3i1q h TYR 50 CO 0.17 0.32 0.00 0.41 -1.64 0.00 0.00 178.16 177.42 3i1q n GLY 51 N -1.34 -3.23 0.43 1.82 0.00 -1.22 -0.90 105.19 100.75 3i1q n GLY 51 Ca 0.21 0.51 0.25 0.00 0.00 0.00 0.00 46.02 47.00 3i1q n GLY 51 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3i1q h VAL 52 N 0.00 0.49 0.00 1.61 -1.51 -1.49 1.33 116.25 116.68 3i1q h VAL 52 Ca 0.00 -0.11 0.00 0.00 -1.23 0.00 0.00 66.70 65.36 3i1q h VAL 52 Cb 0.00 0.15 0.00 0.00 -2.13 0.00 0.00 31.29 29.31 3i1q h VAL 52 CO 0.00 0.06 0.00 -0.61 -1.23 0.00 0.00 177.57 175.79 3i1q h GLN 53 N 0.31 0.00 0.00 5.19 4.15 0.32 -2.79 115.11 122.29 3i1q h GLN 53 Ca 0.60 0.00 -0.14 0.00 0.77 0.00 0.00 58.65 59.87 3i1q h GLN 53 Cb 1.66 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 29.33 3i1q h GLN 53 CO -0.25 0.00 -1.27 -0.11 -1.93 0.00 0.00 178.83 175.26 3i1q n LEU 54 N -2.82 1.16 0.22 -2.39 0.00 0.42 -4.24 117.00 109.35 3i1q n LEU 54 Ca -0.03 0.19 0.15 0.00 0.00 0.00 0.00 56.01 56.32 3i1q n LEU 54 Cb 0.06 -0.45 0.60 0.00 0.00 0.00 0.00 43.42 43.63 3i1q n LEU 54 CO 0.17 -0.02 1.13 -0.09 0.00 0.00 0.00 177.39 178.57 3i1q h ARG 55 N -0.48 0.00 0.01 1.96 9.65 -0.57 0.82 114.38 125.76 3i1q h ARG 55 Ca -0.21 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.67 3i1q h ARG 55 Cb 0.99 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.57 3i1q h ARG 55 CO -0.13 0.00 -0.00 1.49 2.80 0.00 0.00 179.97 184.13 3i1q h GLU 56 N 0.00 -0.01 -0.58 0.20 4.57 -1.73 -3.20 114.58 113.83 3i1q h GLU 56 Ca 0.09 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.23 3i1q h GLU 56 Cb 1.26 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.83 3i1q h GLU 56 CO -0.00 0.66 0.18 1.57 -1.18 0.00 0.00 179.01 180.24 3i1q h LYS 57 N -0.98 0.90 -0.59 1.92 5.09 0.28 -2.02 116.57 121.16 3i1q h LYS 57 Ca -0.00 -0.20 0.05 0.00 0.09 0.00 0.00 60.65 60.60 3i1q h LYS 57 Cb 0.67 -0.13 -0.03 0.00 0.10 0.00 0.00 32.23 32.84 3i1q h LYS 57 CO 0.00 0.81 0.39 0.37 -2.09 0.00 0.00 179.45 178.94 3i1q h GLN 58 N 0.82 0.59 0.05 0.07 5.75 -0.66 -2.53 115.11 119.20 3i1q h GLN 58 Ca 0.19 -0.04 -0.00 0.00 -0.15 0.00 0.00 58.65 58.65 3i1q h GLN 58 Cb 0.29 -0.13 0.00 0.00 1.07 0.00 0.00 27.48 28.70 3i1q h GLN 58 CO -0.01 0.39 -0.02 -0.22 -2.65 0.00 0.00 178.83 176.32 3i1q h LYS 59 N 0.61 -0.06 -1.01 1.69 3.11 -1.37 -2.70 116.57 116.84 3i1q h LYS 59 Ca 0.25 0.00 0.24 0.00 -2.81 0.00 0.00 60.65 58.34 3i1q h LYS 59 Cb 0.22 0.01 -0.12 0.00 -1.00 0.00 0.00 32.23 31.34 3i1q h LYS 59 CO -0.07 0.18 0.60 0.28 -2.81 0.00 0.00 179.45 177.63 3i1q h VAL 60 N -0.29 0.55 -0.28 2.00 2.07 -1.13 0.10 116.25 119.28 3i1q h VAL 60 Ca -0.01 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 3i1q h VAL 60 Cb 0.27 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 29.94 3i1q h VAL 60 CO 0.01 0.11 0.14 0.03 0.02 0.00 0.00 177.57 177.88 3i1q h ARG 61 N 0.58 0.39 -0.23 1.57 3.08 -1.28 -3.07 114.38 115.42 3i1q h ARG 61 Ca 0.63 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.59 3i1q h ARG 61 Cb 1.22 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 31.19 3i1q h ARG 61 CO -0.45 0.35 -0.02 0.00 -1.07 0.00 0.00 179.97 178.78 3i1q h ARG 62 N 0.32 0.42 0.00 0.04 2.47 -0.77 1.54 114.38 118.41 3i1q h ARG 62 Ca 0.10 -0.15 0.00 0.00 -1.26 0.00 0.00 59.98 58.67 3i1q h ARG 62 Cb 0.08 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.37 3i1q h ARG 62 CO -0.01 0.63 0.06 0.97 0.56 0.00 0.00 179.97 182.18 3i1q h ILE 63 N 0.18 0.00 0.00 2.04 2.10 -1.39 -1.57 117.51 118.87 3i1q h ILE 63 Ca 0.06 0.00 -0.07 0.00 1.08 0.00 0.00 64.86 65.93 3i1q h ILE 63 Cb 0.45 0.70 -0.01 0.00 -1.09 0.00 0.00 36.82 36.87 3i1q h ILE 63 CO 0.02 0.00 -1.48 -1.22 -1.08 0.00 0.00 178.15 174.39 3i1q n TYR 64 N -2.65 0.00 -1.93 2.19 4.02 -0.84 -5.00 117.16 112.95 3i1q n TYR 64 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.87 3i1q n TYR 64 Cb 0.11 -0.30 0.00 0.00 -0.02 0.00 0.00 39.34 39.13 3i1q n TYR 64 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3i1q n GLY 65 N 2.24 0.64 3.34 2.72 0.00 0.52 -4.98 105.19 109.68 3i1q n GLY 65 Ca -0.07 -0.76 -0.38 0.00 0.00 0.00 0.00 46.02 44.81 3i1q n GLY 65 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i1q s VAL 66 N -2.24 4.01 0.93 1.61 1.01 -0.58 -4.90 120.40 120.25 3i1q s VAL 66 Ca 0.00 -0.74 -0.12 0.00 0.00 0.00 0.00 61.98 61.12 3i1q s VAL 66 Cb 0.00 -3.10 0.15 0.00 0.00 0.00 0.00 36.38 33.43 3i1q s VAL 66 CO 0.00 0.03 1.09 -0.76 0.00 0.00 0.00 175.10 175.46 3i1q s LEU 67 N 1.50 2.03 0.18 3.92 1.43 -1.26 -4.65 118.68 121.82 3i1q s LEU 67 Ca 0.02 1.37 -0.14 0.00 -1.03 0.00 0.00 54.13 54.35 3i1q s LEU 67 Cb -0.18 -3.71 0.17 0.00 0.03 0.00 0.00 46.19 42.50 3i1q s LEU 67 CO 0.03 -2.80 1.70 -0.33 0.23 0.00 0.00 176.35 175.18 3i1q h GLU 68 N -1.66 0.14 0.68 1.70 4.39 -1.98 -1.76 114.58 116.09 3i1q h GLU 68 Ca -0.51 -0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.15 3i1q h GLU 68 Cb 1.30 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.91 3i1q h GLU 68 CO 0.56 0.10 -0.43 -0.09 -1.16 0.00 0.00 179.01 177.98 3i1q h ARG 69 N 0.15 -1.01 -0.82 2.33 9.65 -2.00 0.97 114.38 123.65 3i1q h ARG 69 Ca 0.23 0.07 0.08 0.00 -1.10 0.00 0.00 59.98 59.26 3i1q h ARG 69 Cb 0.34 0.23 -0.07 0.00 -1.39 0.00 0.00 29.97 29.08 3i1q h ARG 69 CO -0.36 -0.67 0.49 0.37 2.80 0.00 0.00 179.97 182.59 3i1q h GLN 70 N -1.05 0.83 -0.86 0.20 4.15 -1.89 -1.74 115.11 114.75 3i1q h GLN 70 Ca -0.09 -0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.26 3i1q h GLN 70 Cb 0.85 -0.19 -0.04 0.00 0.21 0.00 0.00 27.48 28.31 3i1q h GLN 70 CO 0.08 0.55 0.45 0.35 -1.93 0.00 0.00 178.83 178.33 3i1q h PHE 71 N 0.86 1.21 0.01 3.99 -0.00 -1.00 -2.68 116.94 119.32 3i1q h PHE 71 Ca 0.38 -0.04 0.01 0.00 -0.00 0.00 0.00 57.97 58.32 3i1q h PHE 71 Cb 0.26 -0.38 -0.02 0.00 -0.00 0.00 0.00 35.95 35.81 3i1q h PHE 71 CO -0.05 0.85 -0.10 0.00 -0.00 0.00 0.00 178.31 179.02 3i1q h ARG 72 N 1.21 -0.16 -0.29 1.11 2.47 0.12 -1.57 114.38 117.27 3i1q h ARG 72 Ca 0.30 0.01 0.07 0.00 -1.26 0.00 0.00 59.98 59.10 3i1q h ARG 72 Cb 0.07 0.04 -0.07 0.00 -1.65 0.00 0.00 29.97 28.35 3i1q h ARG 72 CO -0.04 -0.11 -0.23 -0.91 0.56 0.00 0.00 179.97 179.24 3i1q h ASN 73 N -0.17 -0.75 -0.82 7.04 -0.26 -1.37 0.68 115.58 119.93 3i1q h ASN 73 Ca 0.03 0.14 0.20 0.00 -0.56 0.00 0.00 56.30 56.12 3i1q h ASN 73 Cb 0.21 0.37 -0.13 0.00 -1.06 0.00 0.00 38.32 37.71 3i1q h ASN 73 CO -0.09 -0.26 0.17 1.88 -1.06 0.00 0.00 177.43 178.06 3i1q h TYR 74 N -0.21 0.24 0.45 1.19 0.05 -1.13 0.35 116.97 117.89 3i1q h TYR 74 Ca 0.15 0.05 -0.02 0.00 0.05 0.00 0.00 58.73 58.97 3i1q h TYR 74 Cb 0.45 0.03 -0.01 0.00 1.01 0.00 0.00 36.73 38.20 3i1q h TYR 74 CO -0.41 -0.19 -0.37 -0.92 -1.05 0.00 0.00 178.16 175.22 3i1q h TYR 75 N 0.20 -1.02 -0.77 4.88 5.03 -0.05 0.43 116.97 125.68 3i1q h TYR 75 Ca 0.49 0.00 0.13 0.00 2.58 0.00 0.00 58.73 61.93 3i1q h TYR 75 Cb 0.92 0.39 -0.14 0.00 1.55 0.00 0.00 36.73 39.45 3i1q h TYR 75 CO -0.30 -0.51 -0.33 0.87 -1.32 0.00 0.00 178.16 176.56 3i1q h LYS 76 N -0.80 -0.08 -0.00 1.82 1.57 0.13 0.30 116.57 119.52 3i1q h LYS 76 Ca -0.06 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3i1q h LYS 76 Cb 0.67 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.99 3i1q h LYS 76 CO -0.01 -0.05 -0.02 1.49 -0.57 0.00 0.00 179.45 180.29 3i1q h GLU 77 N -0.08 -0.04 -0.05 3.15 4.57 -0.32 0.29 114.58 122.10 3i1q h GLU 77 Ca 0.30 0.00 0.01 0.00 -1.18 0.00 0.00 59.36 58.50 3i1q h GLU 77 Cb 0.58 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.17 3i1q h GLU 77 CO -0.81 -0.03 0.08 0.00 -1.18 0.00 0.00 179.01 177.07 3i1q h ALA 78 N 0.96 1.48 0.07 2.92 0.00 0.75 -0.82 119.26 124.62 3i1q h ALA 78 Ca 0.01 -0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.63 3i1q h ALA 78 Cb 0.05 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3i1q h ALA 78 CO -0.03 -0.10 -1.48 0.00 0.00 0.00 0.00 179.25 177.64 3i1q h ALA 79 N 1.90 0.40 -0.04 0.00 0.00 0.13 -3.37 119.26 118.28 3i1q h ALA 79 Ca 0.02 -1.16 -0.02 0.00 0.00 0.00 0.00 54.91 53.76 3i1q h ALA 79 Cb 0.17 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 3i1q h ALA 79 CO -0.00 1.26 -0.05 -0.09 0.00 0.00 0.00 179.25 180.37 3i1q h ARG 80 N 0.04 0.10 -7.02 0.00 2.43 0.78 -3.45 114.38 107.26 3i1q h ARG 80 Ca -0.21 -0.06 -0.52 0.00 -0.81 0.00 0.00 59.98 58.38 3i1q h ARG 80 Cb 1.97 0.00 0.09 0.00 -0.42 0.00 0.00 29.97 31.61 3i1q h ARG 80 CO 0.14 0.59 0.53 -0.51 -1.51 0.00 0.00 179.97 179.21 3i1q s LEU 81 N -9.12 3.94 0.83 3.80 1.43 -0.44 -4.98 118.68 114.13 3i1q s LEU 81 Ca -0.16 2.47 -0.11 0.00 -1.03 0.00 0.00 54.13 55.30 3i1q s LEU 81 Cb 0.02 -4.27 0.09 0.00 0.03 0.00 0.00 46.19 42.07 3i1q s LEU 81 CO 0.70 -1.18 1.14 -0.75 0.23 0.00 0.00 176.35 176.49 3i1q s LYS 82 N -2.80 1.66 0.00 1.70 2.20 -1.26 -4.77 119.74 116.46 3i1q s LYS 82 Ca 0.67 1.48 0.00 0.00 -0.36 0.00 0.00 55.97 57.77 3i1q s LYS 82 Cb -0.33 -1.80 0.00 0.00 -1.51 0.00 0.00 37.83 34.19 3i1q s LYS 82 CO 0.39 -2.15 0.00 0.41 -0.36 0.00 0.00 175.35 173.65 3i1q n GLY 83 N -0.17 0.43 3.56 5.54 0.00 -1.26 -4.85 105.19 108.44 3i1q n GLY 83 Ca 0.11 -2.11 -0.20 0.00 0.00 0.00 0.00 46.02 43.82 3i1q n GLY 83 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3i1q n ASN 84 N -0.01 1.95 -0.28 1.61 5.15 -1.26 -4.80 115.26 117.62 3i1q n ASN 84 Ca 0.00 -1.19 0.26 0.00 -0.60 0.00 0.00 54.58 53.05 3i1q n ASN 84 Cb 0.00 -1.64 0.45 0.00 -0.53 0.00 0.00 39.78 38.06 3i1q n ASN 84 CO 0.00 0.00 0.00 0.41 1.40 0.00 0.00 177.26 179.07 3i1q n THR 85 N 8.55 -0.23 0.26 -0.44 -1.04 -1.26 -0.36 114.28 119.76 3i1q n THR 85 Ca 0.44 1.34 -0.10 0.00 -2.04 0.00 0.00 64.05 63.68 3i1q n THR 85 Cb 0.46 -2.18 -0.05 0.00 -1.82 0.00 0.00 70.33 66.74 3i1q n THR 85 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 3i1q h GLY 86 N 0.00 -0.71 2.00 3.41 0.00 -1.87 -2.83 103.07 103.08 3i1q h GLY 86 Ca 0.61 0.26 0.00 0.00 0.00 0.00 0.00 47.33 48.20 3i1q h GLY 86 CO -0.42 -0.26 0.00 1.05 0.00 0.00 0.00 176.54 176.91 3i1q h GLU 87 N -0.76 0.00 0.00 4.80 4.11 -1.10 0.12 114.58 121.74 3i1q h GLU 87 Ca -0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.36 3i1q h GLU 87 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 3i1q h GLU 87 CO 0.11 0.00 -0.52 -2.95 0.07 0.00 0.00 179.01 175.73 3i1q h ASN 88 N 0.00 0.00 -0.14 3.06 7.08 -1.56 -2.89 115.58 121.13 3i1q h ASN 88 Ca 0.00 -0.16 -0.12 0.00 -3.08 0.00 0.00 56.30 52.94 3i1q h ASN 88 Cb 0.29 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.52 3i1q h ASN 88 CO 0.00 0.08 -0.31 0.25 -2.08 0.00 0.00 177.43 175.37 3i1q h LEU 89 N 0.00 0.65 -0.81 6.14 5.85 -0.50 0.28 115.31 126.92 3i1q h LEU 89 Ca 0.00 -0.26 -0.11 0.00 0.84 0.00 0.00 57.88 58.36 3i1q h LEU 89 Cb 0.77 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.60 3i1q h LEU 89 CO 0.00 0.92 -0.51 -0.07 -0.34 0.00 0.00 178.44 178.44 3i1q h LEU 90 N 0.54 0.00 0.39 2.25 3.38 -1.55 -1.60 115.31 118.71 3i1q h LEU 90 Ca 0.06 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 3i1q h LEU 90 Cb 0.80 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.55 3i1q h LEU 90 CO 0.07 0.51 -0.19 0.00 0.09 0.00 0.00 178.44 178.92 3i1q h ALA 91 N 1.49 -0.65 -0.76 1.53 0.00 -1.22 0.27 119.26 119.92 3i1q h ALA 91 Ca -0.01 -0.11 0.17 0.00 0.00 0.00 0.00 54.91 54.96 3i1q h ALA 91 Cb 1.02 0.20 -0.14 0.00 0.00 0.00 0.00 17.79 18.88 3i1q h ALA 91 CO 0.07 -0.62 -0.04 -0.07 0.00 0.00 0.00 179.25 178.58 3i1q h LEU 92 N -0.88 -0.44 -0.10 0.00 -0.00 -0.53 0.56 115.31 113.91 3i1q h LEU 92 Ca -0.05 0.21 0.04 0.00 -0.00 0.00 0.00 57.88 58.07 3i1q h LEU 92 Cb 0.40 0.38 -0.06 0.00 -0.00 0.00 0.00 40.66 41.38 3i1q h LEU 92 CO 0.09 -0.20 -0.42 -0.07 -0.00 0.00 0.00 178.44 177.83 3i1q h LEU 93 N 0.07 -1.32 0.00 1.67 3.38 -1.28 -0.20 115.31 117.63 3i1q h LEU 93 Ca 0.40 0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.54 3i1q h LEU 93 Cb 0.69 0.53 0.00 0.00 0.09 0.00 0.00 40.66 41.97 3i1q h LEU 93 CO -0.70 -0.43 0.00 1.21 0.09 0.00 0.00 178.44 178.61 3i1q n GLU 94 N -5.44 0.01 0.11 1.13 4.07 0.14 -1.21 120.64 119.46 3i1q n GLU 94 Ca -0.05 0.35 0.08 0.00 -0.06 0.00 0.00 57.16 57.49 3i1q n GLU 94 Cb 0.36 -1.50 0.01 0.00 -0.06 0.00 0.00 31.44 30.25 3i1q n GLU 94 CO 0.00 0.00 0.00 0.78 -0.06 0.00 0.00 177.13 177.85 3i1q h GLY 95 N 1.29 0.00 -5.68 8.31 0.00 0.17 -3.37 103.07 103.79 3i1q h GLY 95 Ca 0.00 0.00 -0.73 0.00 0.00 0.00 0.00 47.33 46.60 3i1q h GLY 95 CO 0.00 0.00 0.28 0.54 0.00 0.00 0.00 176.54 177.36 3i1q n ARG 96 N -2.85 0.64 0.28 4.80 1.74 -0.35 -1.92 116.66 119.01 3i1q n ARG 96 Ca -0.01 0.23 0.14 0.00 -0.77 0.00 0.00 57.85 57.44 3i1q n ARG 96 Cb 0.63 -1.81 0.80 0.00 -1.02 0.00 0.00 32.46 31.06 3i1q n ARG 96 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3i1q h LEU 97 N 3.85 0.00 -0.26 0.55 6.46 -1.75 -1.04 115.31 123.12 3i1q h LEU 97 Ca -0.49 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.25 3i1q h LEU 97 Cb 1.38 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.30 3i1q h LEU 97 CO 0.72 0.08 0.09 -2.24 -0.62 0.00 0.00 178.44 176.46 3i1q h ASP 98 N 0.00 0.37 0.74 1.25 2.03 -1.88 -3.11 116.42 115.83 3i1q h ASP 98 Ca -0.00 -0.20 -0.04 0.00 -0.73 0.00 0.00 57.03 56.07 3i1q h ASP 98 Cb 0.23 -0.10 0.01 0.00 -0.83 0.00 0.00 39.33 38.64 3i1q h ASP 98 CO 0.01 0.47 -0.36 -1.13 -1.03 0.00 0.00 179.24 177.20 3i1q h ASN 99 N 0.26 -0.84 0.00 4.15 -1.24 -1.59 -2.22 115.58 114.10 3i1q h ASN 99 Ca 0.08 0.02 0.00 0.00 0.71 0.00 0.00 56.30 57.11 3i1q h ASN 99 Cb 0.23 0.22 0.00 0.00 0.73 0.00 0.00 38.32 39.50 3i1q h ASN 99 CO -0.00 -0.58 0.00 0.52 -1.29 0.00 0.00 177.43 176.08 3i1q n VAL 100 N -5.51 0.30 0.00 2.57 0.31 -0.50 -0.64 118.33 114.87 3i1q n VAL 100 Ca -0.14 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 3i1q n VAL 100 Cb 0.40 -0.61 0.00 0.00 -0.91 0.00 0.00 33.84 32.72 3i1q n VAL 100 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 3i1q n VAL 101 N 0.77 0.00 0.02 2.52 0.31 -0.85 -4.64 118.33 116.47 3i1q n VAL 101 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.19 3i1q n VAL 101 Cb 0.16 -0.58 -0.03 0.00 -0.91 0.00 0.00 33.84 32.48 3i1q n VAL 101 CO 0.00 0.00 0.00 0.22 -1.32 0.00 0.00 176.83 175.73 3i1q h TYR 102 N 0.00 0.79 0.00 3.52 3.20 -1.09 -3.03 116.97 120.37 3i1q h TYR 102 Ca 0.00 -0.36 0.00 0.00 3.14 0.00 0.00 58.73 61.51 3i1q h TYR 102 Cb 0.65 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.81 3i1q h TYR 102 CO 0.00 1.16 0.00 0.54 -1.64 0.00 0.00 178.16 178.22 3i1q n ARG 103 N -3.87 0.78 0.00 1.82 3.00 0.19 -2.29 116.66 116.29 3i1q n ARG 103 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.78 3i1q n ARG 103 Cb 0.75 -1.11 0.00 0.00 0.00 0.00 0.00 32.46 32.10 3i1q n ARG 103 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.63 176.30 3i1q n MET 104 N 1.16 1.62 -0.03 5.56 2.81 -1.22 -4.81 117.12 122.21 3i1q n MET 104 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 3i1q n MET 104 Cb 0.39 -0.15 0.00 0.00 -0.71 0.00 0.00 33.22 32.75 3i1q n MET 104 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3i1q n GLY 105 N -0.01 0.38 0.13 3.03 0.00 -0.97 -4.91 105.19 102.84 3i1q n GLY 105 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3i1q n GLY 105 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3i1q n PHE 106 N -2.00 0.00 -3.65 1.61 3.72 -1.18 -3.36 117.46 112.61 3i1q n PHE 106 Ca 0.00 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.38 3i1q n PHE 106 Cb 0.00 -0.01 -0.07 0.00 -0.94 0.00 0.00 39.48 38.47 3i1q n PHE 106 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3i1q s GLY 107 N -1.43 0.21 0.00 1.37 0.00 -1.25 -4.72 107.32 101.50 3i1q s GLY 107 Ca 0.00 3.33 0.00 0.00 0.00 0.00 0.00 44.72 48.05 3i1q s GLY 107 CO 0.00 2.47 0.00 0.00 0.00 0.00 0.00 173.10 175.57 3i1q n ALA 108 N 3.09 0.00 -0.84 3.20 0.00 -1.26 -4.63 120.51 120.07 3i1q n ALA 108 Ca -0.16 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 52.95 3i1q n ALA 108 Cb 0.57 0.00 0.15 0.00 0.00 0.00 0.00 19.45 20.17 3i1q n ALA 108 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 3i1q n THR 109 N 0.00 0.76 0.24 0.00 5.66 -1.26 -4.73 114.28 114.95 3i1q n THR 109 Ca 0.00 -0.09 0.11 0.00 -3.05 0.00 0.00 64.05 61.01 3i1q n THR 109 Cb 0.00 -1.04 0.61 0.00 -1.55 0.00 0.00 70.33 68.35 3i1q n THR 109 CO 0.00 0.00 0.00 -0.09 -3.05 0.00 0.00 175.07 171.93 3i1q h ARG 110 N -1.50 0.00 0.00 1.09 2.43 -1.83 -0.95 114.38 113.61 3i1q h ARG 110 Ca -0.44 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.73 3i1q h ARG 110 Cb 1.28 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.83 3i1q h ARG 110 CO 0.42 0.18 0.00 0.00 -1.51 0.00 0.00 179.97 179.06 3i1q n ALA 111 N -2.30 -0.19 -0.30 2.80 0.00 -1.26 -1.59 120.51 117.67 3i1q n ALA 111 Ca -0.01 0.00 0.28 0.00 0.00 0.00 0.00 53.44 53.71 3i1q n ALA 111 Cb 0.30 0.10 0.51 0.00 0.00 0.00 0.00 19.45 20.36 3i1q n ALA 111 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3i1q n GLU 112 N -1.48 -0.04 -0.16 0.00 2.13 -1.11 0.23 120.64 120.21 3i1q n GLU 112 Ca 0.00 1.11 0.06 0.00 0.66 0.00 0.00 57.16 59.00 3i1q n GLU 112 Cb 0.00 -2.05 0.36 0.00 0.27 0.00 0.00 31.44 30.03 3i1q n GLU 112 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3i1q h ALA 113 N 1.57 1.72 0.07 4.31 0.00 -0.37 -2.95 119.26 123.60 3i1q h ALA 113 Ca 0.71 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 55.45 3i1q h ALA 113 Cb 1.98 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.59 3i1q h ALA 113 CO -0.57 0.18 -0.73 0.00 0.00 0.00 0.00 179.25 178.12 3i1q h ARG 114 N 0.72 0.15 -0.79 0.00 3.08 0.39 -3.32 114.38 114.62 3i1q h ARG 114 Ca 0.29 -0.26 0.26 0.00 0.07 0.00 0.00 59.98 60.35 3i1q h ARG 114 Cb 0.24 0.10 -0.14 0.00 0.08 0.00 0.00 29.97 30.24 3i1q h ARG 114 CO -0.09 1.13 0.19 0.94 -1.07 0.00 0.00 179.97 181.06 3i1q n GLN 115 N -4.28 -0.06 0.00 0.04 -0.06 -0.74 -0.11 117.38 112.18 3i1q n GLN 115 Ca -0.17 1.14 0.00 0.00 -2.00 0.00 0.00 57.00 55.97 3i1q n GLN 115 Cb 0.71 -1.91 0.00 0.00 -4.06 0.00 0.00 30.24 24.98 3i1q n GLN 115 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 3i1q n LEU 116 N -4.97 0.00 -0.25 1.69 4.77 -1.16 -2.71 117.00 114.37 3i1q n LEU 116 Ca 0.23 0.87 0.01 0.00 -0.03 0.00 0.00 56.01 57.10 3i1q n LEU 116 Cb 0.78 -0.37 0.06 0.00 -2.33 0.00 0.00 43.42 41.55 3i1q n LEU 116 CO -0.03 -0.37 0.41 0.52 -1.33 0.00 0.00 177.39 176.59 3i1q n VAL 117 N -1.87 -0.32 -0.18 4.08 0.31 0.85 0.22 118.33 121.43 3i1q n VAL 117 Ca 0.00 1.54 -0.02 0.00 -0.01 0.00 0.00 64.34 65.84 3i1q n VAL 117 Cb 0.00 -2.07 0.04 0.00 -0.91 0.00 0.00 33.84 30.90 3i1q n VAL 117 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 3i1q h SER 118 N 0.00 -0.51 -0.21 4.52 0.87 -1.36 0.92 113.55 117.78 3i1q h SER 118 Ca 0.27 0.16 -0.13 0.00 -1.23 0.00 0.00 61.79 60.87 3i1q h SER 118 Cb 0.44 0.34 -0.06 0.00 -0.44 0.00 0.00 62.40 62.67 3i1q h SER 118 CO -0.67 -0.18 0.16 1.41 -0.53 0.00 0.00 176.83 177.02 3i1q n HIS 119 N -5.38 0.66 -3.85 2.24 8.25 0.61 -4.83 115.22 112.93 3i1q n HIS 119 Ca 0.05 -1.13 -0.29 0.00 -0.26 0.00 0.00 57.72 56.09 3i1q n HIS 119 Cb 0.29 -0.56 -0.04 0.00 1.12 0.00 0.00 29.99 30.79 3i1q n HIS 119 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3i1q n LYS 120 N 0.61 -2.03 -1.38 -0.41 5.02 0.32 -4.77 118.16 115.51 3i1q n LYS 120 Ca 0.13 0.20 -0.34 0.00 -2.02 0.00 0.00 58.31 56.28 3i1q n LYS 120 Cb 0.63 -4.81 0.08 0.00 -0.02 0.00 0.00 35.03 30.90 3i1q n LYS 120 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i1q n ALA 121 N -3.67 6.27 -3.23 7.82 0.00 -1.20 -4.87 120.51 121.63 3i1q n ALA 121 Ca 0.06 -3.51 -0.10 0.00 0.00 0.00 0.00 53.44 49.89 3i1q n ALA 121 Cb 0.48 -1.69 -0.04 0.00 0.00 0.00 0.00 19.45 18.20 3i1q n ALA 121 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 3i1q s ILE 122 N -4.82 0.03 -0.03 0.00 -0.00 -1.26 -3.58 121.20 111.54 3i1q s ILE 122 Ca 0.64 -0.60 -0.08 0.00 -0.00 0.00 0.00 60.65 60.61 3i1q s ILE 122 Cb 0.50 -1.37 0.01 0.00 -0.00 0.00 0.00 42.46 41.61 3i1q s ILE 122 CO -0.01 -0.16 0.19 -0.04 -0.00 0.00 0.00 174.94 174.92 3i1q s MET 123 N -3.83 0.42 0.00 0.37 -1.94 -0.42 -1.95 119.30 111.94 3i1q s MET 123 Ca 0.06 -0.09 0.00 0.00 -1.71 0.00 0.00 55.69 53.95 3i1q s MET 123 Cb -0.00 0.18 0.00 0.00 2.01 0.00 0.00 34.83 37.02 3i1q s MET 123 CO -0.07 -0.09 0.00 1.33 -0.01 0.00 0.00 175.02 176.18 3i1q n VAL 124 N 2.02 0.00 0.00 -6.03 0.24 -0.14 0.18 118.33 114.61 3i1q n VAL 124 Ca -0.19 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.11 3i1q n VAL 124 Cb 0.57 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.94 3i1q n VAL 124 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 3i1q n ASN 125 N 0.00 0.87 0.00 -1.34 3.02 -1.26 -4.30 115.26 112.25 3i1q n ASN 125 Ca 0.00 -0.96 0.00 0.00 -0.03 0.00 0.00 54.58 53.59 3i1q n ASN 125 Cb 0.00 -0.17 0.00 0.00 -0.61 0.00 0.00 39.78 39.00 3i1q n ASN 125 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i1q n GLY 126 N 1.56 3.71 3.85 7.41 0.00 -1.26 -5.02 105.19 115.44 3i1q n GLY 126 Ca 0.00 -0.77 -0.33 0.00 0.00 0.00 0.00 46.02 44.93 3i1q n GLY 126 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i1q s ARG 127 N 0.00 3.97 0.72 1.61 3.00 -1.26 -4.99 118.95 122.00 3i1q s ARG 127 Ca 0.00 0.57 -0.14 0.00 0.00 0.00 0.00 55.73 56.16 3i1q s ARG 127 Cb 0.00 -2.57 0.04 0.00 0.00 0.00 0.00 34.95 32.42 3i1q s ARG 127 CO 0.00 0.25 1.16 0.54 0.00 0.00 0.00 175.30 177.24 3i1q s VAL 128 N -1.86 2.70 -0.02 3.52 0.11 -1.26 -0.97 120.40 122.62 3i1q s VAL 128 Ca 0.50 0.32 0.00 0.00 -2.93 0.00 0.00 61.98 59.87 3i1q s VAL 128 Cb -0.11 -2.81 0.02 0.00 -1.53 0.00 0.00 36.38 31.95 3i1q s VAL 128 CO 0.19 -0.21 0.01 -0.69 -3.33 0.00 0.00 175.10 171.07 3i1q s VAL 129 N -2.24 0.07 -0.17 2.04 1.01 -0.82 -4.74 120.40 115.54 3i1q s VAL 129 Ca 0.70 0.12 -0.07 0.00 0.00 0.00 0.00 61.98 62.73 3i1q s VAL 129 Cb -0.24 -0.16 -0.08 0.00 0.00 0.00 0.00 36.38 35.89 3i1q s VAL 129 CO 0.46 0.10 -0.21 -3.20 0.00 0.00 0.00 175.10 172.25 3i1q n ASN 130 N 3.98 1.56 -4.60 3.32 2.85 -1.26 -4.42 115.26 116.69 3i1q n ASN 130 Ca -0.25 0.15 -0.46 0.00 -0.11 0.00 0.00 54.58 53.91 3i1q n ASN 130 Cb 0.52 -0.46 -0.04 0.00 1.24 0.00 0.00 39.78 41.04 3i1q n ASN 130 CO 0.00 0.00 0.00 2.30 -2.11 0.00 0.00 177.26 177.45 3i1q n ILE 131 N -3.61 0.44 -0.81 -1.44 -6.64 -1.26 -3.93 119.36 102.11 3i1q n ILE 131 Ca -0.33 -0.28 -0.12 0.00 -1.77 0.00 0.00 62.75 60.24 3i1q n ILE 131 Cb 0.76 -2.17 -0.12 0.00 -1.44 0.00 0.00 39.64 36.67 3i1q n ILE 131 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3i1q n ALA 132 N 9.41 5.29 -1.51 -1.28 0.00 -1.26 -2.24 120.51 128.92 3i1q n ALA 132 Ca 0.29 -1.61 0.00 0.00 0.00 0.00 0.00 53.44 52.12 3i1q n ALA 132 Cb 0.36 -2.43 0.00 0.00 0.00 0.00 0.00 19.45 17.37 3i1q n ALA 132 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3i1q n SER 133 N 2.81 0.00 -4.37 0.00 2.88 -1.26 -4.42 113.62 109.26 3i1q n SER 133 Ca 0.37 -0.76 -0.51 0.00 -1.33 0.00 0.00 58.87 56.65 3i1q n SER 133 Cb 0.63 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.96 3i1q n SER 133 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3i1q n TYR 134 N 0.00 0.88 -1.75 0.66 9.36 -0.95 -4.41 117.16 120.95 3i1q n TYR 134 Ca 0.00 0.59 -0.40 0.00 3.32 0.00 0.00 57.90 61.41 3i1q n TYR 134 Cb 0.27 -2.33 -0.03 0.00 -0.63 0.00 0.00 39.34 36.62 3i1q n TYR 134 CO 0.00 0.00 0.00 -1.14 0.22 0.00 0.00 176.86 175.94 3i1q s GLN 135 N 7.39 2.74 0.17 2.98 2.00 -1.26 -3.16 119.66 130.52 3i1q s GLN 135 Ca 1.27 1.45 -0.31 0.00 -2.00 0.00 0.00 55.36 55.77 3i1q s GLN 135 Cb -1.39 -4.41 -0.09 0.00 0.80 0.00 0.00 33.01 27.92 3i1q s GLN 135 CO 0.58 -2.55 1.44 0.08 -0.50 0.00 0.00 175.29 174.34 3i1q s VAL 136 N 9.44 2.94 0.27 1.34 1.01 -0.81 -5.02 120.40 129.57 3i1q s VAL 136 Ca 0.89 0.71 0.09 0.00 0.00 0.00 0.00 61.98 63.67 3i1q s VAL 136 Cb -0.22 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 3i1q s VAL 136 CO 0.29 0.08 0.07 -0.44 0.00 0.00 0.00 175.10 175.10 3i1q s SER 137 N 0.83 4.83 0.34 3.32 0.01 -1.26 -4.91 113.70 116.86 3i1q s SER 137 Ca 0.64 -0.55 -0.29 0.00 1.31 0.00 0.00 55.95 57.05 3i1q s SER 137 Cb -0.40 -0.98 -0.11 0.00 0.21 0.00 0.00 66.02 64.74 3i1q s SER 137 CO 0.35 -0.05 1.52 -0.81 0.41 0.00 0.00 173.24 174.66 3i1q n PRO 138 N -1.01 2.65 -0.75 12.44 -0.04 -1.26 -2.44 135.00 144.59 3i1q n PRO 138 Ca -0.06 0.93 0.00 0.00 -0.04 0.00 0.00 63.50 64.33 3i1q n PRO 138 Cb 0.59 -2.68 0.00 0.00 -0.04 0.00 0.00 33.50 31.37 3i1q n PRO 138 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3i1q n ASN 139 N 1.21 -1.04 -4.80 3.54 4.13 0.23 -4.98 115.26 113.54 3i1q n ASN 139 Ca 0.05 0.00 -0.30 0.00 1.68 0.00 0.00 54.58 56.01 3i1q n ASN 139 Cb 0.38 -0.17 0.09 0.00 -1.54 0.00 0.00 39.78 38.53 3i1q n ASN 139 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 3i1q s ASP 140 N -2.53 4.57 -0.40 6.41 1.11 -1.02 -4.85 116.67 119.95 3i1q s ASP 140 Ca 0.00 1.35 0.07 0.00 0.18 0.00 0.00 52.55 54.15 3i1q s ASP 140 Cb 0.00 -2.10 0.24 0.00 1.07 0.00 0.00 42.92 42.13 3i1q s ASP 140 CO 0.00 -1.93 0.51 1.33 1.18 0.00 0.00 175.17 176.26 3i1q n VAL 141 N -3.41 -0.75 -1.74 -1.27 0.24 -1.26 -1.96 118.33 108.18 3i1q n VAL 141 Ca 0.07 -3.80 -0.42 0.00 -2.04 0.00 0.00 64.34 58.15 3i1q n VAL 141 Cb 0.56 -1.76 -0.03 0.00 -1.47 0.00 0.00 33.84 31.14 3i1q n VAL 141 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3i1q s VAL 142 N -0.90 2.05 -0.01 3.34 0.11 -1.00 -4.17 120.40 119.82 3i1q s VAL 142 Ca 0.35 0.04 0.03 0.00 -2.93 0.00 0.00 61.98 59.46 3i1q s VAL 142 Cb 0.15 -3.02 -0.00 0.00 -1.53 0.00 0.00 36.38 31.97 3i1q s VAL 142 CO -0.13 0.00 -0.09 -0.94 -3.33 0.00 0.00 175.10 170.61 3i1q s SER 143 N 1.13 1.15 0.29 3.54 1.04 0.13 -2.39 113.70 118.59 3i1q s SER 143 Ca 0.74 -0.18 -0.30 0.00 0.48 0.00 0.00 55.95 56.69 3i1q s SER 143 Cb -0.49 -0.17 -0.11 0.00 0.10 0.00 0.00 66.02 65.34 3i1q s SER 143 CO 0.33 0.11 1.61 -0.63 0.98 0.00 0.00 173.24 175.63 3i1q s ILE 144 N -0.12 2.03 -0.61 -1.02 -1.09 -1.09 -1.30 121.20 118.00 3i1q s ILE 144 Ca 0.02 0.03 -0.38 0.00 -2.23 0.00 0.00 60.65 58.09 3i1q s ILE 144 Cb -0.05 -3.02 -0.19 0.00 -1.58 0.00 0.00 42.46 37.63 3i1q s ILE 144 CO -0.00 0.00 2.16 0.54 -1.23 0.00 0.00 174.94 176.41 3i1q n ARG 145 N 2.27 0.00 0.18 2.79 5.12 -1.24 -4.64 116.66 121.15 3i1q n ARG 145 Ca 0.09 0.00 0.07 0.00 -1.93 0.00 0.00 57.85 56.07 3i1q n ARG 145 Cb 0.37 -1.41 0.35 0.00 -1.16 0.00 0.00 32.46 30.61 3i1q n ARG 145 CO 0.00 0.00 0.00 1.49 -1.93 0.00 0.00 177.63 177.19 3i1q h GLU 146 N 9.27 0.00 0.00 5.56 4.81 -1.96 -2.93 114.58 129.33 3i1q h GLU 146 Ca -0.08 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 3i1q h GLU 146 Cb 1.30 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.68 3i1q h GLU 146 CO 1.10 0.00 0.00 1.63 -0.73 0.00 0.00 179.01 181.01 3i1q n LYS 147 N -2.10 0.00 -2.33 1.92 4.01 -1.26 -4.57 118.16 113.84 3i1q n LYS 147 Ca -0.01 0.00 -0.37 0.00 -0.51 0.00 0.00 58.31 57.42 3i1q n LYS 147 Cb 0.39 -0.24 -0.03 0.00 -0.51 0.00 0.00 35.03 34.64 3i1q n LYS 147 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3i1q s ALA 148 N -4.01 2.36 0.07 7.82 0.00 -1.11 -4.95 121.76 121.94 3i1q s ALA 148 Ca 0.00 -1.50 0.09 0.00 0.00 0.00 0.00 51.96 50.55 3i1q s ALA 148 Cb 0.00 -4.42 -0.03 0.00 0.00 0.00 0.00 23.12 18.67 3i1q s ALA 148 CO 0.00 -3.87 -0.25 0.21 0.00 0.00 0.00 175.76 171.86 3i1q s LYS 149 N 6.10 1.55 -0.44 0.00 2.20 -1.20 -4.18 119.74 123.77 3i1q s LYS 149 Ca 0.53 -1.12 -0.39 0.00 -0.36 0.00 0.00 55.97 54.63 3i1q s LYS 149 Cb -0.06 -1.79 0.06 0.00 -1.51 0.00 0.00 37.83 34.53 3i1q s LYS 149 CO 0.05 0.45 0.65 0.36 -0.36 0.00 0.00 175.35 176.50 3i1q n LYS 150 N 1.55 -1.87 -4.22 4.03 2.85 -1.26 -5.01 118.16 114.22 3i1q n LYS 150 Ca -0.17 1.38 -0.29 0.00 -1.05 0.00 0.00 58.31 58.18 3i1q n LYS 150 Cb 0.53 -1.94 -0.10 0.00 -0.65 0.00 0.00 35.03 32.87 3i1q n LYS 150 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 3i1q s GLN 151 N -2.38 2.16 0.21 -1.58 1.11 -1.26 -4.86 119.66 113.05 3i1q s GLN 151 Ca 0.38 -1.05 0.09 0.00 0.01 0.00 0.00 55.36 54.79 3i1q s GLN 151 Cb -0.04 -2.30 0.69 0.00 -1.01 0.00 0.00 33.01 30.35 3i1q s GLN 151 CO 0.85 0.50 0.92 0.45 0.01 0.00 0.00 175.29 178.01 3i1q n SER 152 N 0.55 0.13 0.04 5.90 2.88 -1.26 0.89 113.62 122.75 3i1q n SER 152 Ca -0.13 0.97 -0.04 0.00 -1.33 0.00 0.00 58.87 58.34 3i1q n SER 152 Cb 0.53 -0.44 -0.02 0.00 -0.75 0.00 0.00 64.21 63.52 3i1q n SER 152 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 3i1q h ARG 153 N 0.00 -0.18 -0.09 -1.46 1.12 -1.99 -1.81 114.38 109.96 3i1q h ARG 153 Ca 0.46 0.01 -0.17 0.00 -1.11 0.00 0.00 59.98 59.17 3i1q h ARG 153 Cb 1.15 0.04 -0.01 0.00 -0.01 0.00 0.00 29.97 31.15 3i1q h ARG 153 CO -0.47 -0.12 -0.67 -0.24 -3.11 0.00 0.00 179.97 175.36 3i1q h VAL 154 N -0.19 1.37 0.66 0.20 3.04 0.21 -1.84 116.25 119.70 3i1q h VAL 154 Ca -0.01 -2.05 -0.02 0.00 -1.01 0.00 0.00 66.70 63.61 3i1q h VAL 154 Cb 0.18 2.03 -0.01 0.00 -2.01 0.00 0.00 31.29 31.48 3i1q h VAL 154 CO -0.05 0.62 -0.51 0.50 -1.01 0.00 0.00 177.57 177.12 3i1q h LYS 155 N 0.28 -1.08 -0.92 4.17 3.11 -1.28 -2.37 116.57 118.48 3i1q h LYS 155 Ca -0.02 0.07 0.14 0.00 -2.81 0.00 0.00 60.65 58.04 3i1q h LYS 155 Cb 1.22 0.25 -0.09 0.00 -1.00 0.00 0.00 32.23 32.61 3i1q h LYS 155 CO 0.11 -0.72 0.53 0.00 -2.81 0.00 0.00 179.45 176.56 3i1q h ALA 156 N -1.04 1.40 0.00 5.00 0.00 -1.30 0.40 119.26 123.71 3i1q h ALA 156 Ca -0.09 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3i1q h ALA 156 Cb 0.93 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.63 3i1q h ALA 156 CO 0.02 0.03 0.24 0.00 0.00 0.00 0.00 179.25 179.54 3i1q h ALA 157 N 1.56 1.21 0.11 0.00 0.00 -0.84 -0.82 119.26 120.48 3i1q h ALA 157 Ca 0.49 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 55.03 3i1q h ALA 157 Cb 0.62 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 3i1q h ALA 157 CO -0.33 -0.21 -2.06 1.28 0.00 0.00 0.00 179.25 177.93 3i1q n LEU 158 N -2.64 2.67 -0.26 0.00 4.77 0.14 -2.91 117.00 118.77 3i1q n LEU 158 Ca -0.02 0.16 0.02 0.00 -0.03 0.00 0.00 56.01 56.14 3i1q n LEU 158 Cb 0.28 -1.08 0.09 0.00 -2.33 0.00 0.00 43.42 40.38 3i1q n LEU 158 CO 0.12 0.86 0.71 -0.08 -1.33 0.00 0.00 177.39 177.68 3i1q h GLU 159 N 0.06 -0.00 -0.01 3.23 4.81 -0.93 0.35 114.58 122.10 3i1q h GLU 159 Ca -0.44 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 3i1q h GLU 159 Cb 2.02 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.40 3i1q h GLU 159 CO 0.07 -0.00 -0.23 1.47 -0.73 0.00 0.00 179.01 179.58 3i1q n LEU 160 N -5.50 1.60 0.02 1.64 -0.00 -1.22 -3.34 117.00 110.19 3i1q n LEU 160 Ca 0.10 -0.52 -0.12 0.00 -0.00 0.00 0.00 56.01 55.48 3i1q n LEU 160 Cb 0.39 -0.05 -0.07 0.00 -0.00 0.00 0.00 43.42 43.69 3i1q n LEU 160 CO -0.01 0.29 0.85 0.00 -0.00 0.00 0.00 177.39 178.51 3i1q h ALA 161 N 3.99 0.05 -0.13 1.47 0.00 -0.17 -1.79 119.26 122.68 3i1q h ALA 161 Ca 0.00 -0.04 -0.20 0.00 0.00 0.00 0.00 54.91 54.67 3i1q h ALA 161 Cb 0.62 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3i1q h ALA 161 CO 0.00 -0.41 -0.73 1.49 0.00 0.00 0.00 179.25 179.60 3i1q h GLU 162 N -0.02 0.60 0.00 0.00 4.22 -1.58 -2.73 114.58 115.07 3i1q h GLU 162 Ca 0.01 -0.48 0.00 0.00 0.08 0.00 0.00 59.36 58.97 3i1q h GLU 162 Cb 0.08 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.42 3i1q h GLU 162 CO -0.00 1.10 0.00 0.94 -2.18 0.00 0.00 179.01 178.87 3i1q n GLN 163 N -3.90 0.14 -2.50 1.92 7.27 -1.17 -4.68 117.38 114.46 3i1q n GLN 163 Ca -0.06 0.13 -0.17 0.00 0.07 0.00 0.00 57.00 56.98 3i1q n GLN 163 Cb 0.71 -1.50 0.07 0.00 2.41 0.00 0.00 30.24 31.93 3i1q n GLN 163 CO 0.00 0.00 0.00 -2.13 0.07 0.00 0.00 177.06 175.00 3i1q n ARG 164 N -1.17 0.46 0.13 3.69 0.63 -0.68 -4.98 116.66 114.74 3i1q n ARG 164 Ca 0.04 -2.47 0.14 0.00 -0.92 0.00 0.00 57.85 54.64 3i1q n ARG 164 Cb 0.04 -0.31 0.67 0.00 0.45 0.00 0.00 32.46 33.31 3i1q n ARG 164 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 3i1q h GLU 165 N 0.00 0.00 -4.30 -0.14 5.08 -1.83 -3.48 114.58 109.90 3i1q h GLU 165 Ca -0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.12 3i1q h GLU 165 Cb 1.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.27 3i1q h GLU 165 CO 0.31 0.00 -0.93 1.17 -1.00 0.00 0.00 179.01 178.56 3i1q n LYS 166 N -4.45 -5.43 0.00 2.33 0.00 -1.26 -5.02 118.16 104.34 3i1q n LYS 166 Ca 0.03 3.86 0.00 0.00 0.00 0.00 0.00 58.31 62.21 3i1q n LYS 166 Cb 0.35 -4.21 0.00 0.00 0.00 0.00 0.00 35.03 31.17 3i1q n LYS 166 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 3i1q n PRO 167 N 1.85 0.18 0.00 1.64 -0.02 -1.26 -5.05 135.00 132.34 3i1q n PRO 167 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3i1q n PRO 167 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 3i1q n PRO 167 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 3i1q n THR 168 N -1.53 0.00 0.02 3.45 -1.04 -1.26 -4.90 114.28 109.02 3i1q n THR 168 Ca 0.00 0.00 0.02 0.00 -2.04 0.00 0.00 64.05 62.03 3i1q n THR 168 Cb 0.00 0.00 0.20 0.00 -1.82 0.00 0.00 70.33 68.71 3i1q n THR 168 CO 0.00 0.00 0.00 -2.67 -0.64 0.00 0.00 175.07 171.76 3i1q n TRP 169 N -1.43 1.11 -3.58 -1.42 2.14 -1.26 -4.81 117.44 108.18 3i1q n TRP 169 Ca 0.00 -0.43 -0.02 0.00 2.07 0.00 0.00 57.50 59.12 3i1q n TRP 169 Cb 0.00 -0.34 -0.05 0.00 -0.81 0.00 0.00 31.31 30.11 3i1q n TRP 169 CO 0.00 0.00 0.00 -0.48 2.07 0.00 0.00 177.69 179.28 3i1q s LEU 170 N -1.44 -0.79 0.19 5.67 0.05 -1.26 -0.43 118.68 120.67 3i1q s LEU 170 Ca 0.28 1.17 -0.30 0.00 0.05 0.00 0.00 54.13 55.33 3i1q s LEU 170 Cb 0.22 2.01 -0.08 0.00 -2.05 0.00 0.00 46.19 46.28 3i1q s LEU 170 CO 0.08 -0.17 1.28 -1.61 -0.55 0.00 0.00 176.35 175.38 3i1q s GLU 171 N 2.12 4.41 0.13 1.48 2.02 -1.16 -4.89 118.70 122.82 3i1q s GLU 171 Ca -0.07 2.00 0.00 0.00 0.02 0.00 0.00 54.97 56.93 3i1q s GLU 171 Cb -0.07 -3.21 0.02 0.00 0.10 0.00 0.00 34.13 30.97 3i1q s GLU 171 CO -0.18 -0.22 0.17 1.55 0.02 0.00 0.00 175.26 176.61 3i1q n VAL 172 N 2.68 0.00 -2.26 2.63 3.14 -1.26 -2.69 118.33 120.57 3i1q n VAL 172 Ca 0.06 -0.30 0.00 0.00 -2.96 0.00 0.00 64.34 61.14 3i1q n VAL 172 Cb 0.43 -1.21 0.00 0.00 -1.06 0.00 0.00 33.84 32.00 3i1q n VAL 172 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 3i1q n ASP 173 N -2.96 0.00 0.00 6.55 4.64 -1.25 -4.86 116.55 118.68 3i1q n ASP 173 Ca 0.03 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.44 3i1q n ASP 173 Cb 0.11 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.19 3i1q n ASP 173 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3i1q n ALA 174 N -3.00 0.00 0.10 -1.67 0.00 -1.26 -4.83 120.51 109.85 3i1q n ALA 174 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 3i1q n ALA 174 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 3i1q n ALA 174 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3i1q h GLY 175 N 0.00 0.41 -1.08 0.00 0.00 -1.98 -3.25 103.07 97.17 3i1q h GLY 175 Ca 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 47.33 46.41 3i1q h GLY 175 CO 0.00 0.80 0.00 0.28 0.00 0.00 0.00 176.54 177.62 3i1q n LYS 176 N -3.63 1.69 -4.20 4.80 4.01 -1.26 -4.97 118.16 114.60 3i1q n LYS 176 Ca -0.09 -1.60 -0.30 0.00 -0.51 0.00 0.00 58.31 55.81 3i1q n LYS 176 Cb 0.97 -1.24 -0.09 0.00 -0.51 0.00 0.00 35.03 34.17 3i1q n LYS 176 CO 0.00 0.00 0.00 -1.33 -1.11 0.00 0.00 177.40 174.96 3i1q n MET 177 N 0.57 -0.89 -3.18 1.97 2.81 -1.23 -4.65 117.12 112.52 3i1q n MET 177 Ca 0.09 0.08 -0.18 0.00 -1.81 0.00 0.00 57.70 55.88 3i1q n MET 177 Cb 0.35 -3.28 0.00 0.00 -0.71 0.00 0.00 33.22 29.58 3i1q n MET 177 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 3i1q s GLU 178 N -7.14 2.71 -0.30 0.03 2.12 -1.26 -2.68 118.70 112.18 3i1q s GLU 178 Ca 0.03 -1.36 -0.05 0.00 0.36 0.00 0.00 54.97 53.95 3i1q s GLU 178 Cb -0.02 -2.64 0.19 0.00 0.26 0.00 0.00 34.13 31.92 3i1q s GLU 178 CO 0.94 -0.29 0.77 0.20 -0.54 0.00 0.00 175.26 176.33 3i1q s GLY 179 N -4.31 -0.79 -0.80 -1.50 0.00 -1.01 -3.76 107.32 95.15 3i1q s GLY 179 Ca 0.53 2.13 -0.15 0.00 0.00 0.00 0.00 44.72 47.23 3i1q s GLY 179 CO 0.32 3.57 0.78 -1.59 0.00 0.00 0.00 173.10 176.17 3i1q s THR 180 N 2.89 5.46 -0.22 0.90 2.01 -1.10 -2.37 115.64 123.21 3i1q s THR 180 Ca 0.13 -2.24 -0.30 0.00 0.31 0.00 0.00 61.69 59.59 3i1q s THR 180 Cb -0.13 -4.49 -0.07 0.00 0.01 0.00 0.00 72.50 67.82 3i1q s THR 180 CO -0.18 -1.07 2.19 0.33 -0.69 0.00 0.00 174.62 175.20 3i1q n PHE 181 N 4.44 1.94 -0.09 4.92 7.35 -0.83 -2.96 117.46 132.23 3i1q n PHE 181 Ca 0.11 -0.05 -0.12 0.00 -0.76 0.00 0.00 57.45 56.63 3i1q n PHE 181 Cb 0.46 -2.69 -0.06 0.00 0.35 0.00 0.00 39.48 37.55 3i1q n PHE 181 CO 0.00 0.00 0.00 1.17 -0.76 0.00 0.00 176.76 177.17 3i1q n LYS 182 N 8.47 0.51 -3.95 -4.13 4.81 0.43 0.77 118.16 125.07 3i1q n LYS 182 Ca 0.31 0.50 -0.09 0.00 -0.87 0.00 0.00 58.31 58.16 3i1q n LYS 182 Cb 0.39 -1.67 -0.10 0.00 0.02 0.00 0.00 35.03 33.67 3i1q n LYS 182 CO 0.00 0.00 0.00 -0.98 1.17 0.00 0.00 177.40 177.59 3i1q s ARG 183 N -2.36 0.44 0.07 1.64 1.04 -1.19 -3.72 118.95 114.87 3i1q s ARG 183 Ca -0.22 -0.64 -0.30 0.00 -1.04 0.00 0.00 55.73 53.53 3i1q s ARG 183 Cb 0.04 0.17 -0.09 0.00 -2.04 0.00 0.00 34.95 33.03 3i1q s ARG 183 CO 0.38 -0.09 1.94 1.63 -0.04 0.00 0.00 175.30 179.12 3i1q n LYS 184 N 1.26 2.87 -0.55 3.89 5.02 -1.26 -4.74 118.16 124.66 3i1q n LYS 184 Ca -0.22 1.05 -0.29 0.00 -2.02 0.00 0.00 58.31 56.83 3i1q n LYS 184 Cb 0.56 -2.99 0.23 0.00 -0.02 0.00 0.00 35.03 32.81 3i1q n LYS 184 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 3i1q n PRO 185 N 6.99 -1.88 -4.27 1.97 -0.04 -1.26 -5.04 135.00 131.46 3i1q n PRO 185 Ca 0.19 -0.51 -0.25 0.00 -0.04 0.00 0.00 63.50 62.89 3i1q n PRO 185 Cb 0.40 -2.16 -0.08 0.00 -0.04 0.00 0.00 33.50 31.61 3i1q n PRO 185 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3i1q s GLU 186 N -4.34 2.15 0.00 0.54 0.41 -1.26 -4.96 118.70 111.24 3i1q s GLU 186 Ca 0.67 -1.84 0.20 0.00 -0.41 0.00 0.00 54.97 53.59 3i1q s GLU 186 Cb -0.24 -1.92 0.87 0.00 -1.78 0.00 0.00 34.13 31.06 3i1q s GLU 186 CO 0.64 -0.02 1.65 -2.13 -0.49 0.00 0.00 175.26 174.91 3i1q n ARG 187 N -1.11 0.00 0.00 1.61 3.00 -1.26 -1.92 116.66 116.99 3i1q n ARG 187 Ca -0.03 0.15 0.12 0.00 -0.00 0.00 0.00 57.85 58.09 3i1q n ARG 187 Cb 0.64 -1.51 0.16 0.00 0.00 0.00 0.00 32.46 31.75 3i1q n ARG 187 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 3i1q n SER 188 N -1.51 1.38 -0.15 6.15 3.41 -1.26 -4.15 113.62 117.49 3i1q n SER 188 Ca 0.05 -1.10 0.06 0.00 -0.26 0.00 0.00 58.87 57.62 3i1q n SER 188 Cb 0.24 0.38 0.08 0.00 -0.26 0.00 0.00 64.21 64.65 3i1q n SER 188 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3i1q n ASP 189 N -0.57 1.64 -3.47 4.04 5.68 -0.81 -4.96 116.55 118.10 3i1q n ASP 189 Ca 0.09 -2.55 0.00 0.00 -0.50 0.00 0.00 54.79 51.84 3i1q n ASP 189 Cb 0.39 -0.29 -0.05 0.00 -1.14 0.00 0.00 41.12 40.04 3i1q n ASP 189 CO 0.00 0.00 0.00 -1.48 -1.33 0.00 0.00 177.20 174.39 3i1q s LEU 190 N -1.78 -0.62 0.00 -2.12 0.05 -1.09 -4.80 118.68 108.32 3i1q s LEU 190 Ca 0.18 0.87 0.00 0.00 0.05 0.00 0.00 54.13 55.23 3i1q s LEU 190 Cb 0.16 1.74 0.00 0.00 -2.05 0.00 0.00 46.19 46.04 3i1q s LEU 190 CO 0.02 -0.12 0.00 -0.24 -0.55 0.00 0.00 176.35 175.45 3i1q n SER 191 N 4.77 0.00 0.00 1.48 2.88 -1.26 -4.65 113.62 116.83 3i1q n SER 191 Ca -0.11 -0.09 0.00 0.00 -1.33 0.00 0.00 58.87 57.34 3i1q n SER 191 Cb 0.53 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 3i1q n SER 191 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3i1q n ALA 192 N -3.00 0.00 0.61 -1.46 0.00 -1.26 -4.84 120.51 110.56 3i1q n ALA 192 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i1q n ALA 192 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3i1q n ALA 192 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3i1q n ASP 193 N 0.61 0.24 -4.78 0.00 9.92 -1.26 -4.78 116.55 116.51 3i1q n ASP 193 Ca 0.00 -0.85 -0.38 0.00 -0.53 0.00 0.00 54.79 53.03 3i1q n ASP 193 Cb 0.00 -0.12 -0.06 0.00 -0.64 0.00 0.00 41.12 40.30 3i1q n ASP 193 CO 0.00 0.00 0.00 0.27 0.13 0.00 0.00 177.20 177.60 3i1q s ILE 194 N -1.43 5.13 0.32 0.53 -4.36 -1.26 -5.06 121.20 115.06 3i1q s ILE 194 Ca 0.00 0.84 0.01 0.00 -0.26 0.00 0.00 60.65 61.25 3i1q s ILE 194 Cb 0.00 -3.74 0.01 0.00 1.25 0.00 0.00 42.46 39.98 3i1q s ILE 194 CO 0.00 0.46 0.12 0.59 0.24 0.00 0.00 174.94 176.35 3i1q n ASN 195 N 2.77 2.46 0.00 4.36 5.03 -1.26 -5.05 115.26 123.57 3i1q n ASN 195 Ca -0.11 -2.25 0.00 0.00 0.87 0.00 0.00 54.58 53.09 3i1q n ASN 195 Cb 0.52 0.10 0.00 0.00 -1.02 0.00 0.00 39.78 39.38 3i1q n ASN 195 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3i1q n GLU 196 N -1.02 0.00 0.00 3.52 4.71 -1.26 -4.62 120.64 121.98 3i1q n GLU 196 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.08 3i1q n GLU 196 Cb 0.38 -0.08 0.00 0.00 -1.01 0.00 0.00 31.44 30.73 3i1q n GLU 196 CO 0.00 0.00 0.00 -2.39 0.09 0.00 0.00 177.13 174.83 3i1q n HIS 197 N -2.45 0.00 -0.03 -0.32 1.44 -1.26 -0.72 115.22 111.88 3i1q n HIS 197 Ca 0.00 0.00 -0.07 0.00 -2.01 0.00 0.00 57.72 55.64 3i1q n HIS 197 Cb 0.04 -0.01 -0.02 0.00 0.12 0.00 0.00 29.99 30.11 3i1q n HIS 197 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3i1q n LEU 198 N -0.15 0.54 -0.02 2.39 4.77 -1.26 -4.16 117.00 119.11 3i1q n LEU 198 Ca 0.00 0.09 -0.17 0.00 -0.03 0.00 0.00 56.01 55.90 3i1q n LEU 198 Cb 0.03 -0.22 -0.08 0.00 -2.33 0.00 0.00 43.42 40.82 3i1q n LEU 198 CO 0.00 0.10 0.30 -0.29 -1.33 0.00 0.00 177.39 176.16 3i1q h ILE 199 N -0.25 1.32 -0.55 -0.08 2.10 -1.72 -0.98 117.51 117.35 3i1q h ILE 199 Ca -0.17 -1.93 0.03 0.00 1.08 0.00 0.00 64.86 63.87 3i1q h ILE 199 Cb 1.10 2.12 -0.04 0.00 -1.09 0.00 0.00 36.82 38.92 3i1q h ILE 199 CO -0.10 0.60 0.32 0.58 -1.08 0.00 0.00 178.15 178.47 3i1q h VAL 200 N 0.32 1.04 -0.58 2.19 2.07 -1.22 -2.16 116.25 117.91 3i1q h VAL 200 Ca -0.05 -0.22 0.10 0.00 0.82 0.00 0.00 66.70 67.35 3i1q h VAL 200 Cb 1.31 0.35 -0.08 0.00 -1.52 0.00 0.00 31.29 31.35 3i1q h VAL 200 CO 0.14 0.12 0.16 -0.08 0.02 0.00 0.00 177.57 177.92 3i1q h GLU 201 N 0.63 0.30 -0.59 1.57 4.81 -1.62 -2.48 114.58 117.20 3i1q h GLU 201 Ca 0.23 -0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.51 3i1q h GLU 201 Cb 0.05 -0.07 -0.10 0.00 0.63 0.00 0.00 28.75 29.26 3i1q h GLU 201 CO -0.11 0.20 -0.52 1.25 -0.73 0.00 0.00 179.01 179.09 3i1q h LEU 202 N 0.31 -1.81 -2.24 1.64 5.85 -0.49 -1.53 115.31 117.03 3i1q h LEU 202 Ca 0.30 0.26 0.00 0.00 0.84 0.00 0.00 57.88 59.28 3i1q h LEU 202 Cb 0.41 0.78 0.00 0.00 0.37 0.00 0.00 40.66 42.22 3i1q h LEU 202 CO -0.35 -0.35 0.00 -1.22 -0.34 0.00 0.00 178.44 176.18 3i1q n TYR 203 N -5.36 0.00 -0.10 1.25 0.53 -0.93 -4.04 117.16 108.50 3i1q n TYR 203 Ca -0.01 -0.62 -0.11 0.00 -1.02 0.00 0.00 57.90 56.15 3i1q n TYR 203 Cb 0.33 -0.31 -0.15 0.00 -1.03 0.00 0.00 39.34 38.18 3i1q n TYR 203 CO 0.00 0.00 0.00 0.43 -1.02 0.00 0.00 176.86 176.27 3i1q n SER 204 N 0.74 0.56 0.00 7.72 7.64 -0.58 -5.08 113.62 124.62 3i1q n SER 204 Ca 0.00 -0.02 0.01 0.00 1.01 0.00 0.00 58.87 59.87 3i1q n SER 204 Cb 0.50 0.77 0.08 0.00 -1.01 0.00 0.00 64.21 64.55 3i1q n SER 204 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32