#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i9s s VAL 3 N 0.00 4.92 0.01 -3.33 1.01 -1.26 -4.59 120.40 117.15 3i9s s VAL 3 Ca 0.00 0.61 -0.06 0.00 0.00 0.00 0.00 61.98 62.53 3i9s s VAL 3 Cb 0.00 -4.04 -0.05 0.00 0.00 0.00 0.00 36.38 32.29 3i9s s VAL 3 CO 0.00 -0.26 0.27 -1.61 0.00 0.00 0.00 175.10 173.49 3i9s s GLU 4 N 2.64 3.58 -0.22 2.72 2.02 -0.60 -4.92 118.70 123.93 3i9s s GLU 4 Ca 0.24 -0.08 -0.08 0.00 0.02 0.00 0.00 54.97 55.07 3i9s s GLU 4 Cb -0.15 -3.08 -0.04 0.00 0.10 0.00 0.00 34.13 30.96 3i9s s GLU 4 CO 0.14 0.65 0.09 0.42 0.02 0.00 0.00 175.26 176.58 3i9s s ILE 5 N -1.30 4.83 0.11 -1.63 -1.09 -1.26 -0.84 121.20 120.03 3i9s s ILE 5 Ca 0.27 -0.01 -0.02 0.00 -2.23 0.00 0.00 60.65 58.67 3i9s s ILE 5 Cb -0.13 -3.22 -0.04 0.00 -1.58 0.00 0.00 42.46 37.49 3i9s s ILE 5 CO 0.16 0.40 0.05 -1.59 -1.23 0.00 0.00 174.94 172.73 3i9s s LYS 6 N 0.89 0.86 0.37 2.79 -2.85 0.37 -4.95 119.74 117.22 3i9s s LYS 6 Ca 0.05 -1.35 -0.25 0.00 -1.00 0.00 0.00 55.97 53.42 3i9s s LYS 6 Cb -0.13 0.25 -0.10 0.00 -2.06 0.00 0.00 37.83 35.78 3i9s s LYS 6 CO 0.03 -0.23 0.99 0.50 0.10 0.00 0.00 175.35 176.74 3i9s s ARG 7 N -4.01 4.35 -0.23 1.78 3.52 -1.26 -0.48 118.95 122.63 3i9s s ARG 7 Ca 0.19 1.39 -0.06 0.00 -0.13 0.00 0.00 55.73 57.12 3i9s s ARG 7 Cb 0.07 -2.61 -0.02 0.00 -1.56 0.00 0.00 34.95 30.83 3i9s s ARG 7 CO -0.02 0.05 0.02 0.08 -0.81 0.00 0.00 175.30 174.62 3i9s s VAL 8 N -1.71 3.93 0.43 7.11 1.01 -0.18 -4.85 120.40 126.15 3i9s s VAL 8 Ca 0.55 -0.31 0.08 0.00 0.00 0.00 0.00 61.98 62.30 3i9s s VAL 8 Cb -0.19 -2.81 0.00 0.00 0.00 0.00 0.00 36.38 33.39 3i9s s VAL 8 CO 0.24 0.39 0.51 1.51 0.00 0.00 0.00 175.10 177.75 3i9s s ASP 9 N 1.39 5.39 0.26 3.32 1.47 -1.26 -4.38 116.67 122.86 3i9s s ASP 9 Ca 0.05 -0.58 -0.03 0.00 1.18 0.00 0.00 52.55 53.18 3i9s s ASP 9 Cb -0.15 -0.55 0.43 0.00 -0.34 0.00 0.00 42.92 42.31 3i9s s ASP 9 CO 0.01 -0.76 1.84 0.50 0.68 0.00 0.00 175.17 177.44 3i9s h LYS 10 N 0.75 0.96 0.00 2.11 3.64 -1.99 -1.02 116.57 121.02 3i9s h LYS 10 Ca -0.40 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 58.92 3i9s h LYS 10 Cb 1.28 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 32.88 3i9s h LYS 10 CO 0.49 0.63 -0.03 1.25 -2.27 0.00 0.00 179.45 179.53 3i9s h HIS 11 N 0.99 0.00 -0.13 1.91 2.76 -2.02 -2.27 115.15 116.38 3i9s h HIS 11 Ca 0.43 0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.55 3i9s h HIS 11 Cb 0.30 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.23 3i9s h HIS 11 CO -0.02 0.03 -0.19 0.72 -1.30 0.00 0.00 177.93 177.16 3i9s n HIS 12 N -3.28 0.42 0.19 5.26 8.25 -0.42 -4.79 115.22 120.84 3i9s n HIS 12 Ca -0.02 -1.31 0.04 0.00 -0.26 0.00 0.00 57.72 56.16 3i9s n HIS 12 Cb 0.16 -0.30 0.37 0.00 1.12 0.00 0.00 29.99 31.34 3i9s n HIS 12 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3i9s n LEU 14 N -3.92 0.02 0.20 0.00 4.77 -1.26 -1.90 117.00 114.91 3i9s n LEU 14 Ca -0.02 0.51 0.14 0.00 -0.03 0.00 0.00 56.01 56.61 3i9s n LEU 14 Cb 0.43 -0.50 0.69 0.00 -2.33 0.00 0.00 43.42 41.70 3i9s n LEU 14 CO 0.38 -0.38 0.92 0.44 -1.33 0.00 0.00 177.39 177.42 3i9s h ASP 15 N 0.00 0.00 0.12 -1.43 3.32 -1.67 -2.53 116.42 114.24 3i9s h ASP 15 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3i9s h ASP 15 Cb 0.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.68 3i9s h ASP 15 CO 0.00 0.00 -0.25 0.18 -1.72 0.00 0.00 179.24 177.45 3i9s n LEU 16 N -2.50 1.44 -0.05 1.55 4.77 -0.80 -4.41 117.00 117.00 3i9s n LEU 16 Ca -0.00 -0.45 -0.10 0.00 -0.03 0.00 0.00 56.01 55.43 3i9s n LEU 16 Cb 0.13 -0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.12 3i9s n LEU 16 CO 0.16 0.26 0.95 0.58 -1.33 0.00 0.00 177.39 178.02 3i9s h VAL 17 N 1.87 1.04 -0.45 4.08 2.07 -1.64 -0.63 116.25 122.58 3i9s h VAL 17 Ca 0.00 -0.09 0.06 0.00 0.82 0.00 0.00 66.70 67.49 3i9s h VAL 17 Cb 0.59 0.75 -0.05 0.00 -1.52 0.00 0.00 31.29 31.06 3i9s h VAL 17 CO 0.00 0.05 0.14 1.23 0.02 0.00 0.00 177.57 179.01 3i9s h GLY 18 N 0.26 0.58 2.00 2.17 0.00 -1.82 -0.22 103.07 106.04 3i9s h GLY 18 Ca 0.08 -0.07 -0.09 0.00 0.00 0.00 0.00 47.33 47.25 3i9s h GLY 18 CO -0.03 0.00 -0.41 1.19 0.00 0.00 0.00 176.54 177.30 3i9s h ILE 19 N 0.31 0.82 -0.13 2.60 6.09 -1.79 -2.35 117.51 123.05 3i9s h ILE 19 Ca 0.21 -1.75 -0.22 0.00 -1.37 0.00 0.00 64.86 61.73 3i9s h ILE 19 Cb 0.23 2.11 0.01 0.00 0.47 0.00 0.00 36.82 39.64 3i9s h ILE 19 CO -0.23 0.40 -0.80 -0.26 -3.07 0.00 0.00 178.15 174.19 3i9s h PHE 20 N 0.00 1.02 -0.93 2.19 -1.00 -0.74 -0.67 116.94 116.81 3i9s h PHE 20 Ca -0.00 -0.46 0.05 0.00 2.81 0.00 0.00 57.97 60.37 3i9s h PHE 20 Cb 1.08 -0.15 -0.06 0.00 3.61 0.00 0.00 35.95 40.42 3i9s h PHE 20 CO 0.00 1.29 0.59 0.82 -1.61 0.00 0.00 178.31 179.40 3i9s h ILE 21 N 0.51 1.09 -0.27 -0.55 2.04 -0.92 0.12 117.51 119.52 3i9s h ILE 21 Ca -0.06 -0.38 -0.05 0.00 1.00 0.00 0.00 64.86 65.37 3i9s h ILE 21 Cb 1.42 -0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 3i9s h ILE 21 CO 0.16 0.20 -0.03 -0.08 0.00 0.00 0.00 178.15 178.41 3i9s h GLU 22 N 1.10 0.50 -0.41 2.37 4.81 -1.32 -2.62 114.58 119.02 3i9s h GLU 22 Ca 0.39 -0.17 -0.01 0.00 -0.13 0.00 0.00 59.36 59.44 3i9s h GLU 22 Cb 0.12 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 3i9s h GLU 22 CO -0.16 0.68 0.20 1.25 -0.73 0.00 0.00 179.01 180.26 3i9s h LEU 23 N 0.27 0.50 -0.41 1.64 6.46 -0.51 -1.94 115.31 121.33 3i9s h LEU 23 Ca 0.07 -0.04 -0.08 0.00 -0.12 0.00 0.00 57.88 57.71 3i9s h LEU 23 Cb 0.47 -0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 40.26 3i9s h LEU 23 CO 0.02 0.43 -0.07 -0.33 -0.62 0.00 0.00 178.44 177.87 3i9s h GLU 24 N 0.57 0.77 -0.67 1.25 4.39 -0.64 -2.60 114.58 117.66 3i9s h GLU 24 Ca 0.15 -0.28 -0.02 0.00 0.34 0.00 0.00 59.36 59.54 3i9s h GLU 24 Cb 0.06 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.63 3i9s h GLU 24 CO -0.02 0.89 0.35 0.00 -1.16 0.00 0.00 179.01 179.06 3i9s h ARG 25 N 0.59 0.95 -0.20 2.33 3.08 -1.18 0.07 114.38 120.03 3i9s h ARG 25 Ca 0.11 -0.13 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 3i9s h ARG 25 Cb 0.59 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 3i9s h ARG 25 CO 0.04 0.74 0.02 -0.92 -1.07 0.00 0.00 179.97 178.77 3i9s h TYR 26 N 0.93 0.28 0.00 3.04 5.03 -1.13 0.15 116.97 125.27 3i9s h TYR 26 Ca 0.23 -0.01 -0.14 0.00 2.58 0.00 0.00 58.73 61.39 3i9s h TYR 26 Cb 0.08 -0.09 -0.03 0.00 1.55 0.00 0.00 36.73 38.24 3i9s h TYR 26 CO -0.00 0.28 -2.00 0.66 -1.32 0.00 0.00 178.16 175.78 3i9s n TYR 27 N -4.39 0.00 -0.48 -3.82 4.01 -1.00 -4.70 117.16 106.78 3i9s n TYR 27 Ca -0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 3i9s n TYR 27 Cb 0.17 -0.62 0.00 0.00 -0.31 0.00 0.00 39.34 38.58 3i9s n TYR 27 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 3i9s n PHE 28 N -2.37 0.00 0.00 -0.72 3.72 0.00 -5.07 117.46 113.02 3i9s n PHE 28 Ca -0.15 -0.04 0.00 0.00 -0.05 0.00 0.00 57.45 57.22 3i9s n PHE 28 Cb 0.75 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.29 3i9s n PHE 28 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3i9s n GLY 29 N -0.04 0.99 0.16 1.37 0.00 0.53 -0.32 105.19 107.89 3i9s n GLY 29 Ca 0.00 0.73 0.06 0.00 0.00 0.00 0.00 46.02 46.82 3i9s n GLY 29 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3i9s h ASP 30 N 0.00 0.00 0.00 1.61 3.32 -1.91 -2.90 116.42 116.54 3i9s h ASP 30 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3i9s h ASP 30 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3i9s h ASP 30 CO 0.00 0.29 0.00 0.29 -1.72 0.00 0.00 179.24 178.10 3i9s n LYS 31 N -3.10 1.00 -1.96 3.56 5.02 0.57 -4.89 118.16 118.37 3i9s n LYS 31 Ca 0.01 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.90 3i9s n LYS 31 Cb 0.66 -1.22 -0.01 0.00 -0.02 0.00 0.00 35.03 34.44 3i9s n LYS 31 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i9s s ALA 32 N -1.57 3.49 0.50 7.82 0.00 -1.09 -4.94 121.76 125.97 3i9s s ALA 32 Ca 0.00 1.41 -0.20 0.00 0.00 0.00 0.00 51.96 53.17 3i9s s ALA 32 Cb 0.00 -3.54 -0.08 0.00 0.00 0.00 0.00 23.12 19.50 3i9s s ALA 32 CO 0.00 -0.87 1.06 0.00 0.00 0.00 0.00 175.76 175.94 3i9s s ALA 33 N -1.15 2.83 0.98 0.00 0.00 -1.26 -5.04 121.76 118.12 3i9s s ALA 33 Ca 0.52 0.63 -0.12 0.00 0.00 0.00 0.00 51.96 52.99 3i9s s ALA 33 Cb -0.43 -3.27 0.18 0.00 0.00 0.00 0.00 23.12 19.60 3i9s s ALA 33 CO 0.57 -0.42 1.09 -1.54 0.00 0.00 0.00 175.76 175.46 3i9s s SER 34 N -1.99 2.79 0.21 0.00 1.04 -1.26 -4.85 113.70 109.64 3i9s s SER 34 Ca 0.68 1.26 -0.08 0.00 0.48 0.00 0.00 55.95 58.29 3i9s s SER 34 Cb -0.18 -1.93 0.15 0.00 0.10 0.00 0.00 66.02 64.16 3i9s s SER 34 CO 0.22 -3.04 1.77 -0.08 0.98 0.00 0.00 173.24 173.09 3i9s h GLU 35 N -1.83 1.16 -0.32 4.02 4.81 -1.97 -1.80 114.58 118.65 3i9s h GLU 35 Ca -0.53 -0.22 -0.02 0.00 -0.13 0.00 0.00 59.36 58.46 3i9s h GLU 35 Cb 1.32 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 30.50 3i9s h GLU 35 CO 0.57 0.95 0.14 1.96 -0.73 0.00 0.00 179.01 181.90 3i9s h GLN 36 N 1.13 0.47 -0.87 1.92 1.08 -2.00 -1.05 115.11 115.78 3i9s h GLN 36 Ca 0.26 -0.08 -0.01 0.00 -1.45 0.00 0.00 58.65 57.37 3i9s h GLN 36 Cb 0.23 -0.08 -0.04 0.00 -0.05 0.00 0.00 27.48 27.54 3i9s h GLN 36 CO -0.02 0.46 0.52 -0.44 -0.95 0.00 0.00 178.83 178.40 3i9s h ASP 37 N 0.37 1.05 -0.35 1.46 3.32 -1.87 -2.39 116.42 118.00 3i9s h ASP 37 Ca 0.11 -0.07 -0.11 0.00 0.02 0.00 0.00 57.03 56.97 3i9s h ASP 37 Cb 0.16 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 3i9s h ASP 37 CO -0.01 0.81 -0.19 -0.07 -1.72 0.00 0.00 179.24 178.05 3i9s h LEU 38 N 1.20 0.85 -0.52 1.55 3.38 -0.98 0.53 115.31 121.31 3i9s h LEU 38 Ca 0.31 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 3i9s h LEU 38 Cb -0.05 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 3i9s h LEU 38 CO -0.06 1.02 0.32 0.00 0.09 0.00 0.00 178.44 179.81 3i9s h ALA 39 N 1.04 0.67 -0.41 1.53 0.00 -0.96 0.07 119.26 121.19 3i9s h ALA 39 Ca 0.11 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3i9s h ALA 39 Cb 0.72 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3i9s h ALA 39 CO 0.06 0.15 0.18 -0.91 0.00 0.00 0.00 179.25 178.73 3i9s h ASN 40 N 0.70 0.55 -0.45 0.00 2.35 -1.17 0.26 115.58 117.82 3i9s h ASN 40 Ca 0.19 -0.15 0.05 0.00 -0.55 0.00 0.00 56.30 55.84 3i9s h ASN 40 Cb -0.01 -0.14 -0.05 0.00 0.05 0.00 0.00 38.32 38.17 3i9s h ASN 40 CO -0.04 0.55 0.19 0.22 -1.65 0.00 0.00 177.43 176.70 3i9s h TYR 41 N 0.53 0.34 -0.31 1.19 3.20 -0.67 0.17 116.97 121.41 3i9s h TYR 41 Ca 0.14 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.97 3i9s h TYR 41 Cb 0.15 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.32 3i9s h TYR 41 CO -0.01 0.15 -0.05 -0.07 -1.64 0.00 0.00 178.16 176.54 3i9s h LEU 42 N 0.38 0.58 -0.58 2.82 3.38 -0.81 -0.58 115.31 120.50 3i9s h LEU 42 Ca 0.21 -0.35 -0.15 0.00 0.09 0.00 0.00 57.88 57.68 3i9s h LEU 42 Cb 0.17 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 3i9s h LEU 42 CO -0.18 0.79 -0.71 0.28 0.09 0.00 0.00 178.44 178.71 3i9s h SER 43 N 0.36 0.03 0.00 -0.43 0.02 -0.62 -2.46 113.55 110.44 3i9s h SER 43 Ca 0.08 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 3i9s h SER 43 Cb 0.52 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.05 3i9s h SER 43 CO 0.03 0.72 -0.96 1.41 -1.14 0.00 0.00 176.83 176.88 3i9s n HIS 44 N -3.71 0.00 0.06 3.45 8.25 0.56 -4.71 115.22 119.12 3i9s n HIS 44 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 3i9s n HIS 44 Cb 0.69 -0.10 0.00 0.00 1.12 0.00 0.00 29.99 31.70 3i9s n HIS 44 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3i9s n GLN 45 N -1.54 0.00 -0.35 -0.41 6.02 -0.36 -4.69 117.38 116.05 3i9s n GLN 45 Ca -0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 56.96 3i9s n GLN 45 Cb 0.15 -0.43 0.10 0.00 1.02 0.00 0.00 30.24 31.08 3i9s n GLN 45 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3i9s h VAL 46 N 0.00 1.23 -3.48 5.09 2.07 -1.26 -3.21 116.25 116.70 3i9s h VAL 46 Ca 0.00 -0.44 -0.70 0.00 0.82 0.00 0.00 66.70 66.38 3i9s h VAL 46 Cb 0.04 -0.15 -0.32 0.00 -1.52 0.00 0.00 31.29 29.34 3i9s h VAL 46 CO 0.00 0.23 -0.52 -0.36 0.02 0.00 0.00 177.57 176.94 3i9s s PHE 47 N -6.12 3.48 0.18 1.57 0.40 -0.93 -4.80 117.98 111.76 3i9s s PHE 47 Ca -0.13 -2.10 -0.22 0.00 -0.60 0.00 0.00 56.93 53.88 3i9s s PHE 47 Cb 0.17 -3.10 0.06 0.00 0.51 0.00 0.00 43.02 40.66 3i9s s PHE 47 CO 0.81 -0.94 0.60 -1.54 0.70 0.00 0.00 175.22 174.86 3i9s s SER 48 N 1.96 -0.48 0.37 1.36 1.04 -1.21 -4.18 113.70 112.56 3i9s s SER 48 Ca 0.05 -0.14 0.07 0.00 0.48 0.00 0.00 55.95 56.41 3i9s s SER 48 Cb -0.23 0.61 0.79 0.00 0.10 0.00 0.00 66.02 67.29 3i9s s SER 48 CO -0.02 -1.03 1.95 -0.33 0.98 0.00 0.00 173.24 174.79 3i9s h GLU 49 N 2.03 0.68 -0.00 4.02 5.08 -1.91 -1.40 114.58 123.07 3i9s h GLU 49 Ca -0.31 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 3i9s h GLU 49 Cb 1.29 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.39 3i9s h GLU 49 CO 0.36 0.45 -0.14 -2.39 -1.00 0.00 0.00 179.01 176.29 3i9s n HIS 50 N -4.49 0.00 -2.41 4.33 1.44 -1.26 -4.88 115.22 107.94 3i9s n HIS 50 Ca 0.11 0.00 -0.41 0.00 -2.01 0.00 0.00 57.72 55.41 3i9s n HIS 50 Cb 0.28 -0.19 -0.03 0.00 0.12 0.00 0.00 29.99 30.16 3i9s n HIS 50 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 3i9s s SER 51 N -2.52 7.12 0.00 4.39 0.15 -0.53 -4.93 113.70 117.39 3i9s s SER 51 Ca 0.27 2.16 0.24 0.00 0.70 0.00 0.00 55.95 59.31 3i9s s SER 51 Cb 0.20 -2.60 0.40 0.00 -1.71 0.00 0.00 66.02 62.31 3i9s s SER 51 CO 0.49 -0.36 1.39 0.61 1.20 0.00 0.00 173.24 176.57 3i9s n GLY 52 N 2.36 1.33 3.77 9.45 0.00 -1.26 -4.86 105.19 115.99 3i9s n GLY 52 Ca 0.05 -0.69 -0.27 0.00 0.00 0.00 0.00 46.02 45.11 3i9s n GLY 52 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i9s s VAL 53 N -1.69 4.35 0.45 1.61 -7.23 -1.26 -4.50 120.40 112.13 3i9s s VAL 53 Ca 0.35 -1.07 0.07 0.00 -1.81 0.00 0.00 61.98 59.51 3i9s s VAL 53 Cb 0.22 -3.19 -0.02 0.00 0.56 0.00 0.00 36.38 33.95 3i9s s VAL 53 CO 0.31 -0.06 0.29 -0.54 -0.31 0.00 0.00 175.10 174.79 3i9s s LYS 54 N -2.91 2.32 -0.02 4.82 1.02 0.46 -4.92 119.74 120.50 3i9s s LYS 54 Ca 0.30 -1.83 0.01 0.00 0.02 0.00 0.00 55.97 54.47 3i9s s LYS 54 Cb -0.10 -2.11 0.02 0.00 -0.52 0.00 0.00 37.83 35.12 3i9s s LYS 54 CO 0.22 -0.29 -0.00 0.08 -0.92 0.00 0.00 175.35 174.44 3i9s s VAL 55 N -2.62 0.18 0.12 3.17 1.01 -1.26 -1.55 120.40 119.43 3i9s s VAL 55 Ca 0.40 0.05 0.10 0.00 0.00 0.00 0.00 61.98 62.53 3i9s s VAL 55 Cb 0.00 -0.25 -0.04 0.00 0.00 0.00 0.00 36.38 36.09 3i9s s VAL 55 CO 0.23 0.13 -0.22 0.27 0.00 0.00 0.00 175.10 175.50 3i9s s ILE 56 N 0.81 2.55 0.04 2.22 -4.36 -0.76 -1.01 121.20 120.67 3i9s s ILE 56 Ca -0.08 -1.60 0.01 0.00 -0.26 0.00 0.00 60.65 58.72 3i9s s ILE 56 Cb -0.11 -2.14 -0.02 0.00 1.25 0.00 0.00 42.46 41.43 3i9s s ILE 56 CO -0.01 0.12 -0.05 0.00 0.24 0.00 0.00 174.94 175.23 3i9s s ALA 57 N -1.08 0.38 -0.21 2.27 0.00 0.37 -1.09 121.76 122.40 3i9s s ALA 57 Ca 0.16 -0.76 -0.12 0.00 0.00 0.00 0.00 51.96 51.24 3i9s s ALA 57 Cb -0.10 0.12 -0.05 0.00 0.00 0.00 0.00 23.12 23.09 3i9s s ALA 57 CO 0.08 -0.13 0.23 0.00 0.00 0.00 0.00 175.76 175.94 3i9s s ALA 58 N -1.76 3.61 -0.01 0.00 0.00 0.20 -0.48 121.76 123.32 3i9s s ALA 58 Ca -0.10 -0.69 0.03 0.00 0.00 0.00 0.00 51.96 51.20 3i9s s ALA 58 Cb -0.08 -2.37 -0.01 0.00 0.00 0.00 0.00 23.12 20.67 3i9s s ALA 58 CO -0.01 -0.09 -0.11 0.08 0.00 0.00 0.00 175.76 175.63 3i9s s VAL 59 N 0.85 0.84 -0.15 0.00 1.01 -0.02 0.39 120.40 123.33 3i9s s VAL 59 Ca 0.12 -0.45 -0.06 0.00 0.00 0.00 0.00 61.98 61.58 3i9s s VAL 59 Cb -0.13 -0.70 0.07 0.00 0.00 0.00 0.00 36.38 35.61 3i9s s VAL 59 CO 0.04 0.24 0.33 -0.70 0.00 0.00 0.00 175.10 175.01 3i9s s GLU 60 N -0.22 0.25 -1.47 2.72 2.12 -0.18 -1.56 118.70 120.35 3i9s s GLU 60 Ca 0.04 0.81 -0.11 0.00 0.36 0.00 0.00 54.97 56.07 3i9s s GLU 60 Cb -0.04 0.06 0.06 0.00 0.26 0.00 0.00 34.13 34.47 3i9s s GLU 60 CO -0.00 -0.24 0.97 0.72 -0.54 0.00 0.00 175.26 176.17 3i9s n HIS 61 N 5.02 -2.33 -1.61 5.30 8.25 -1.26 -1.34 115.22 127.24 3i9s n HIS 61 Ca -0.13 0.91 -0.19 0.00 -0.26 0.00 0.00 57.72 58.05 3i9s n HIS 61 Cb 0.51 -4.22 -0.08 0.00 1.12 0.00 0.00 29.99 27.32 3i9s n HIS 61 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 3i9s n ASP 62 N -2.90 -5.34 -4.42 0.41 2.03 -1.26 -4.99 116.55 100.08 3i9s n ASP 62 Ca -0.02 0.45 -0.33 0.00 0.52 0.00 0.00 54.79 55.40 3i9s n ASP 62 Cb 0.56 -4.53 -0.14 0.00 -0.72 0.00 0.00 41.12 36.29 3i9s n ASP 62 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3i9s s LYS 63 N -3.72 3.10 -0.19 -0.67 1.02 -0.45 -5.10 119.74 113.73 3i9s s LYS 63 Ca 0.00 -0.67 -0.29 0.00 0.02 0.00 0.00 55.97 55.03 3i9s s LYS 63 Cb 0.00 -2.56 0.00 0.00 -0.52 0.00 0.00 37.83 34.75 3i9s s LYS 63 CO 0.00 0.36 1.01 0.08 -0.92 0.00 0.00 175.35 175.89 3i9s s VAL 64 N -0.04 4.73 -0.14 3.17 1.01 -1.26 -1.02 120.40 126.84 3i9s s VAL 64 Ca -0.03 2.00 0.19 0.00 0.00 0.00 0.00 61.98 64.15 3i9s s VAL 64 Cb -0.14 -4.30 -0.15 0.00 0.00 0.00 0.00 36.38 31.79 3i9s s VAL 64 CO 0.04 -0.11 0.73 0.18 0.00 0.00 0.00 175.10 175.93 3i9s n LEU 65 N 5.87 0.59 -3.60 3.92 4.77 0.16 -4.76 117.00 123.94 3i9s n LEU 65 Ca 0.10 0.25 -0.02 0.00 -0.03 0.00 0.00 56.01 56.31 3i9s n LEU 65 Cb 0.47 0.07 -0.01 0.00 -2.33 0.00 0.00 43.42 41.62 3i9s n LEU 65 CO 0.52 0.07 1.01 -0.83 -1.33 0.00 0.00 177.39 176.82 3i9s s GLY 66 N -4.70 -0.34 0.17 -0.72 0.00 -1.20 -0.85 107.32 99.69 3i9s s GLY 66 Ca -0.04 1.25 -0.15 0.00 0.00 0.00 0.00 44.72 45.79 3i9s s GLY 66 CO 0.83 0.38 0.42 -0.11 0.00 0.00 0.00 173.10 174.62 3i9s s PHE 67 N -2.46 0.01 -0.01 1.90 -0.12 -0.13 -0.63 117.98 116.55 3i9s s PHE 67 Ca 0.11 -0.36 0.01 0.00 -0.05 0.00 0.00 56.93 56.63 3i9s s PHE 67 Cb 0.01 0.23 0.00 0.00 -0.63 0.00 0.00 43.02 42.63 3i9s s PHE 67 CO -0.04 -0.81 -0.02 0.00 -0.05 0.00 0.00 175.22 174.30 3i9s s ALA 68 N -3.88 0.23 -0.07 1.99 0.00 -0.25 -1.40 121.76 118.38 3i9s s ALA 68 Ca 0.10 -0.05 -0.02 0.00 0.00 0.00 0.00 51.96 51.99 3i9s s ALA 68 Cb 0.01 -0.11 -0.03 0.00 0.00 0.00 0.00 23.12 22.99 3i9s s ALA 68 CO -0.04 0.03 0.02 0.95 0.00 0.00 0.00 175.76 176.71 3i9s s THR 69 N 0.16 4.40 0.11 0.00 -4.23 -0.71 -1.84 115.64 113.54 3i9s s THR 69 Ca -0.01 -0.27 -0.12 0.00 -1.18 0.00 0.00 61.69 60.11 3i9s s THR 69 Cb -0.04 -2.88 0.01 0.00 1.34 0.00 0.00 72.50 70.94 3i9s s THR 69 CO -0.00 0.56 0.29 -0.72 -0.54 0.00 0.00 174.62 174.21 3i9s s TYR 70 N -0.94 0.02 0.13 3.99 1.13 -0.60 -1.23 117.35 119.86 3i9s s TYR 70 Ca 0.15 -0.40 -0.09 0.00 -1.41 0.00 0.00 57.07 55.32 3i9s s TYR 70 Cb -0.11 0.08 -0.01 0.00 -1.10 0.00 0.00 41.96 40.82 3i9s s TYR 70 CO 0.04 -0.63 0.24 -0.08 -2.51 0.00 0.00 175.55 172.61 3i9s s THR 71 N -3.85 0.10 0.34 -3.49 -1.32 -0.43 -0.41 115.64 106.58 3i9s s THR 71 Ca 0.05 -1.31 0.10 0.00 -1.21 0.00 0.00 61.69 59.32 3i9s s THR 71 Cb 0.03 -1.64 -0.06 0.00 -1.51 0.00 0.00 72.50 69.32 3i9s s THR 71 CO -0.10 -0.44 -0.10 -0.63 -2.21 0.00 0.00 174.62 171.13 3i9s s ILE 72 N -3.93 2.26 0.00 5.08 1.01 -1.26 -0.77 121.20 123.59 3i9s s ILE 72 Ca 0.12 -2.22 0.00 0.00 0.00 0.00 0.00 60.65 58.55 3i9s s ILE 72 Cb 0.04 -2.62 0.00 0.00 0.01 0.00 0.00 42.46 39.89 3i9s s ILE 72 CO -0.05 -0.22 0.00 0.49 0.00 0.00 0.00 174.94 175.17 3i9s n PHE 74 N -0.78 0.00 -2.13 3.97 3.01 -1.26 -4.89 117.46 115.38 3i9s n PHE 74 Ca -0.05 0.00 -0.28 0.00 1.01 0.00 0.00 57.45 58.13 3i9s n PHE 74 Cb 0.63 0.00 0.14 0.00 -0.01 0.00 0.00 39.48 40.25 3i9s n PHE 74 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 3i9s s PRO 75 N -2.00 1.20 0.18 -1.08 0.04 -1.26 -5.07 135.00 127.01 3i9s s PRO 75 Ca 0.00 -0.54 -0.22 0.00 0.04 0.00 0.00 61.00 60.29 3i9s s PRO 75 Cb 0.00 -2.02 0.05 0.00 0.04 0.00 0.00 34.50 32.57 3i9s s PRO 75 CO 0.00 -1.96 0.60 0.00 0.04 0.00 0.00 177.00 175.68 3i9s s ALA 76 N -3.59 -1.42 0.79 8.56 0.00 -1.22 -4.85 121.76 120.03 3i9s s ALA 76 Ca 0.69 0.23 -0.15 0.00 0.00 0.00 0.00 51.96 52.74 3i9s s ALA 76 Cb -0.06 0.87 0.03 0.00 0.00 0.00 0.00 23.12 23.96 3i9s s ALA 76 CO 0.49 -0.82 0.88 -2.30 0.00 0.00 0.00 175.76 174.01 3i9s n PRO 77 N -0.38 0.23 -2.88 0.00 -0.02 -1.26 -3.59 135.00 127.09 3i9s n PRO 77 Ca -0.14 0.14 -0.18 0.00 -2.02 0.00 0.00 63.50 61.30 3i9s n PRO 77 Cb 0.64 -2.16 0.03 0.00 -0.02 0.00 0.00 33.50 31.98 3i9s n PRO 77 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3i9s n LYS 78 N -2.11 -3.99 -4.07 -0.52 5.02 -1.26 -3.08 118.16 108.15 3i9s n LYS 78 Ca 0.12 0.71 -0.29 0.00 -2.02 0.00 0.00 58.31 56.83 3i9s n LYS 78 Cb 0.50 -5.17 -0.03 0.00 -0.02 0.00 0.00 35.03 30.32 3i9s n LYS 78 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3i9s n LEU 79 N -3.26 -1.98 -4.45 -0.35 4.77 -1.24 -4.93 117.00 105.57 3i9s n LEU 79 Ca -0.08 -1.02 -0.24 0.00 -0.03 0.00 0.00 56.01 54.63 3i9s n LEU 79 Cb 0.59 -2.14 -0.08 0.00 -2.33 0.00 0.00 43.42 39.46 3i9s n LEU 79 CO 0.38 0.39 -0.17 -0.94 -1.33 0.00 0.00 177.39 175.72 3i9s s SER 80 N -4.01 2.46 0.34 -1.43 1.04 -1.18 -5.06 113.70 105.86 3i9s s SER 80 Ca 0.25 -1.69 0.06 0.00 0.48 0.00 0.00 55.95 55.05 3i9s s SER 80 Cb -0.14 0.53 -0.01 0.00 0.10 0.00 0.00 66.02 66.50 3i9s s SER 80 CO 0.91 -0.97 0.48 -0.83 0.98 0.00 0.00 173.24 173.81 3i9s s GLY 81 N -3.54 1.57 0.00 7.32 0.00 -0.44 -3.39 107.32 108.84 3i9s s GLY 81 Ca 0.28 -1.42 0.00 0.00 0.00 0.00 0.00 44.72 43.59 3i9s s GLY 81 CO 0.18 -1.33 0.00 -0.18 0.00 0.00 0.00 173.10 171.77 3i9s n GLN 82 N -1.66 2.91 -3.07 2.90 7.27 -1.26 -3.51 117.38 120.96 3i9s n GLN 82 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 3i9s n GLN 82 Cb 0.58 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.23 3i9s n GLN 82 CO 0.00 0.00 0.00 0.98 0.07 0.00 0.00 177.06 178.11 3i9s n TYR 84 N 0.00 0.00 0.05 3.69 4.19 0.05 -4.48 117.16 120.67 3i9s n TYR 84 Ca 0.00 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.21 3i9s n TYR 84 Cb 0.00 0.00 0.00 0.00 0.49 0.00 0.00 39.34 39.83 3i9s n TYR 84 CO 0.00 0.00 0.00 1.17 0.91 0.00 0.00 176.86 178.94 3i9s n LYS 86 N 0.00 0.00 -3.97 2.98 3.00 -0.37 -1.31 118.16 118.49 3i9s n LYS 86 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 58.31 58.19 3i9s n LYS 86 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 35.03 34.90 3i9s n LYS 86 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 3i9s s ASP 87 N -4.03 0.27 -0.13 3.14 1.01 -1.23 -4.88 116.67 110.81 3i9s s ASP 87 Ca 0.00 -0.19 0.01 0.00 0.71 0.00 0.00 52.55 53.08 3i9s s ASP 87 Cb 0.00 0.01 0.02 0.00 1.01 0.00 0.00 42.92 43.96 3i9s s ASP 87 CO 0.00 -0.08 -0.16 -0.22 0.21 0.00 0.00 175.17 174.92 3i9s s LEU 88 N -0.53 1.76 -0.03 1.23 2.96 -1.26 -1.73 118.68 121.07 3i9s s LEU 88 Ca -0.04 -0.48 0.00 0.00 -0.22 0.00 0.00 54.13 53.39 3i9s s LEU 88 Cb -0.04 -1.18 0.03 0.00 0.50 0.00 0.00 46.19 45.50 3i9s s LEU 88 CO -0.00 -0.01 -0.01 0.12 -1.32 0.00 0.00 176.35 175.13 3i9s s PHE 89 N 1.19 0.40 -0.10 5.38 5.36 -0.49 -5.01 117.98 124.71 3i9s s PHE 89 Ca -0.01 -0.04 0.03 0.00 -0.96 0.00 0.00 56.93 55.94 3i9s s PHE 89 Cb -0.14 -0.48 0.01 0.00 -0.34 0.00 0.00 43.02 42.07 3i9s s PHE 89 CO -0.06 -0.15 -0.18 0.08 -1.46 0.00 0.00 175.22 173.45 3i9s s VAL 90 N 1.09 1.62 0.44 3.12 1.01 -1.26 -0.96 120.40 125.46 3i9s s VAL 90 Ca -0.09 -0.74 -0.25 0.00 0.00 0.00 0.00 61.98 60.90 3i9s s VAL 90 Cb -0.14 -1.45 -0.09 0.00 0.00 0.00 0.00 36.38 34.70 3i9s s VAL 90 CO -0.02 0.46 1.21 -0.24 0.00 0.00 0.00 175.10 176.52 3i9s n SER 91 N 3.88 2.21 0.31 3.32 2.88 -0.03 -4.87 113.62 121.33 3i9s n SER 91 Ca -0.20 1.07 0.17 0.00 -1.33 0.00 0.00 58.87 58.58 3i9s n SER 91 Cb 0.52 -1.47 0.99 0.00 -0.75 0.00 0.00 64.21 63.50 3i9s n SER 91 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 3i9s h SER 92 N 1.84 0.00 -0.13 -3.46 4.64 -2.00 -0.58 113.55 113.87 3i9s h SER 92 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3i9s h SER 92 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 3i9s h SER 92 CO 0.59 0.01 0.00 -1.54 -0.87 0.00 0.00 176.83 175.01 3i9s n SER 93 N -3.61 1.02 -0.42 4.97 3.41 -1.26 -3.70 113.62 114.02 3i9s n SER 93 Ca -0.03 -1.70 0.03 0.00 -0.26 0.00 0.00 58.87 56.91 3i9s n SER 93 Cb 0.09 -0.08 0.05 0.00 -0.26 0.00 0.00 64.21 64.00 3i9s n SER 93 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i9s n ALA 94 N -0.07 2.12 -1.70 7.33 0.00 -0.23 -5.09 120.51 122.88 3i9s n ALA 94 Ca 0.13 -1.58 -0.34 0.00 0.00 0.00 0.00 53.44 51.66 3i9s n ALA 94 Cb 0.21 -0.47 0.01 0.00 0.00 0.00 0.00 19.45 19.19 3i9s n ALA 94 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3i9s s ARG 95 N -0.89 3.32 0.00 0.00 1.81 -1.19 -3.75 118.95 118.24 3i9s s ARG 95 Ca 0.11 1.42 0.00 0.00 -1.72 0.00 0.00 55.73 55.55 3i9s s ARG 95 Cb 0.11 -2.02 0.00 0.00 -0.45 0.00 0.00 34.95 32.59 3i9s s ARG 95 CO -0.00 -0.84 0.00 0.41 -0.68 0.00 0.00 175.30 174.19 3i9s n GLY 96 N -0.33 0.79 1.28 -3.53 0.00 -1.26 -4.90 105.19 97.24 3i9s n GLY 96 Ca 0.10 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.22 3i9s n GLY 96 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i9s n LYS 97 N -2.14 3.01 -2.40 1.61 5.02 -1.25 -4.95 118.16 117.06 3i9s n LYS 97 Ca 0.00 -2.63 -0.21 0.00 -2.02 0.00 0.00 58.31 53.46 3i9s n LYS 97 Cb 0.00 -1.61 -0.01 0.00 -0.02 0.00 0.00 35.03 33.40 3i9s n LYS 97 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i9s n GLY 98 N 1.28 -0.50 0.23 0.72 0.00 -1.26 -4.92 105.19 100.75 3i9s n GLY 98 Ca 0.23 -0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.10 3i9s n GLY 98 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3i9s h ILE 99 N -0.01 1.29 -0.02 -0.61 2.04 -1.92 -2.22 117.51 116.06 3i9s h ILE 99 Ca -0.50 -1.59 0.03 0.00 1.00 0.00 0.00 64.86 63.80 3i9s h ILE 99 Cb 1.37 1.59 -0.05 0.00 -0.74 0.00 0.00 36.82 38.99 3i9s h ILE 99 CO 0.59 0.52 -0.26 1.23 0.00 0.00 0.00 178.15 180.23 3i9s h GLY 100 N 0.57 -0.38 0.92 5.37 0.00 -1.94 -0.42 103.07 107.19 3i9s h GLY 100 Ca 0.03 0.31 0.02 0.00 0.00 0.00 0.00 47.33 47.70 3i9s h GLY 100 CO 0.10 -0.21 0.52 -2.00 0.00 0.00 0.00 176.54 174.95 3i9s h LEU 101 N -0.39 0.88 -0.64 3.11 5.85 -1.97 -2.81 115.31 119.34 3i9s h LEU 101 Ca 0.07 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.79 3i9s h LEU 101 Cb 0.48 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 3i9s h LEU 101 CO -0.24 0.61 0.42 -0.61 -0.34 0.00 0.00 178.44 178.28 3i9s h GLN 102 N 1.03 0.81 -0.94 1.25 5.75 -0.92 0.33 115.11 122.42 3i9s h GLN 102 Ca 0.31 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.76 3i9s h GLN 102 Cb -0.04 -0.18 0.00 0.00 1.07 0.00 0.00 27.48 28.33 3i9s h GLN 102 CO -0.10 0.54 0.00 1.28 -2.65 0.00 0.00 178.83 177.90 3i9s n LEU 103 N -4.66 0.00 0.00 -2.39 4.77 -0.21 -1.86 117.00 112.65 3i9s n LEU 103 Ca 0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 3i9s n LEU 103 Cb 0.04 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 3i9s n LEU 103 CO 0.35 0.00 0.00 0.29 -1.33 0.00 0.00 177.39 176.70 3i9s n LYS 105 N 0.70 0.00 -0.01 3.23 5.02 0.10 -1.96 118.16 125.25 3i9s n LYS 105 Ca 0.00 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.17 3i9s n LYS 105 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 34.95 3i9s n LYS 105 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3i9s h HIS 106 N 0.00 0.13 -0.31 2.13 3.86 -1.64 -2.09 115.15 117.22 3i9s h HIS 106 Ca 0.00 -0.01 0.05 0.00 -1.16 0.00 0.00 60.37 59.25 3i9s h HIS 106 Cb 0.00 -0.04 -0.05 0.00 1.06 0.00 0.00 27.41 28.39 3i9s h HIS 106 CO 0.00 0.22 0.03 -0.07 0.86 0.00 0.00 177.93 178.97 3i9s h LEU 107 N -0.00 -0.06 -0.98 2.43 3.38 -1.68 -0.06 115.31 118.33 3i9s h LEU 107 Ca 0.03 0.06 0.10 0.00 0.09 0.00 0.00 57.88 58.16 3i9s h LEU 107 Cb 0.14 0.10 -0.08 0.00 0.09 0.00 0.00 40.66 40.91 3i9s h LEU 107 CO -0.00 0.00 0.62 0.00 0.09 0.00 0.00 178.44 179.15 3i9s h ALA 108 N 1.25 1.43 -0.49 1.53 0.00 -1.83 0.17 119.26 121.32 3i9s h ALA 108 Ca 0.15 0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.94 3i9s h ALA 108 Cb 0.18 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3i9s h ALA 108 CO -0.23 0.28 -0.18 1.15 0.00 0.00 0.00 179.25 180.27 3i9s h THR 109 N 1.03 1.27 -0.36 0.00 2.02 -0.55 -2.04 112.91 114.29 3i9s h THR 109 Ca 0.46 -1.34 -0.02 0.00 0.77 0.00 0.00 66.41 66.28 3i9s h THR 109 Cb 0.37 1.11 -0.02 0.00 -1.74 0.00 0.00 68.15 67.87 3i9s h THR 109 CO -0.23 0.47 0.15 0.40 0.37 0.00 0.00 175.52 176.67 3i9s h ILE 110 N 0.84 1.19 -0.28 3.11 2.04 0.18 -2.30 117.51 122.30 3i9s h ILE 110 Ca 0.11 -0.57 0.06 0.00 1.00 0.00 0.00 64.86 65.47 3i9s h ILE 110 Cb 0.76 0.90 -0.06 0.00 -0.74 0.00 0.00 36.82 37.67 3i9s h ILE 110 CO 0.06 0.20 -0.15 0.00 0.00 0.00 0.00 178.15 178.26 3i9s h ALA 111 N 0.99 0.06 0.00 1.87 0.00 -0.57 -1.78 119.26 119.84 3i9s h ALA 111 Ca 0.12 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 3i9s h ALA 111 Cb 0.18 0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 3i9s h ALA 111 CO -0.01 -0.55 -0.08 -0.84 0.00 0.00 0.00 179.25 177.77 3i9s h ILE 112 N -0.12 0.16 -0.00 0.00 3.07 -1.28 0.18 117.51 119.51 3i9s h ILE 112 Ca 0.15 -0.99 0.00 0.00 1.55 0.00 0.00 64.86 65.56 3i9s h ILE 112 Cb 0.34 1.87 0.00 0.00 -0.27 0.00 0.00 36.82 38.76 3i9s h ILE 112 CO -0.35 0.08 -0.29 0.35 -1.05 0.00 0.00 178.15 176.89 3i9s n THR 113 N -3.15 0.00 -2.02 0.16 -2.24 -0.87 -3.94 114.28 102.22 3i9s n THR 113 Ca 0.02 -0.06 -0.20 0.00 -2.27 0.00 0.00 64.05 61.54 3i9s n THR 113 Cb 0.47 0.17 0.04 0.00 -2.10 0.00 0.00 70.33 68.91 3i9s n THR 113 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3i9s n HIS 114 N -1.07 2.45 -2.70 4.78 8.25 -0.69 -4.96 115.22 121.27 3i9s n HIS 114 Ca 0.10 -2.15 -0.19 0.00 -0.26 0.00 0.00 57.72 55.21 3i9s n HIS 114 Cb 0.33 -0.33 0.00 0.00 1.12 0.00 0.00 29.99 31.12 3i9s n HIS 114 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3i9s n ASN 115 N -0.73 -5.19 -4.83 0.41 5.15 -1.20 -4.69 115.26 104.17 3i9s n ASN 115 Ca 0.40 -0.08 -0.36 0.00 -0.60 0.00 0.00 54.58 53.94 3i9s n ASN 115 Cb 0.94 -4.30 -0.07 0.00 -0.53 0.00 0.00 39.78 35.83 3i9s n ASN 115 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3i9s n GLN 117 N 2.36 1.59 -4.06 0.00 1.13 -1.23 -4.06 117.38 113.11 3i9s n GLN 117 Ca -0.19 -1.02 -0.13 0.00 -1.94 0.00 0.00 57.00 53.72 3i9s n GLN 117 Cb 0.54 -1.31 -0.12 0.00 0.11 0.00 0.00 30.24 29.46 3i9s n GLN 117 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3i9s s ARG 118 N -1.85 0.43 -0.18 -1.09 0.52 -1.26 -5.12 118.95 110.39 3i9s s ARG 118 Ca 0.16 -0.55 0.00 0.00 -0.52 0.00 0.00 55.73 54.83 3i9s s ARG 118 Cb 0.14 -0.23 0.04 0.00 0.52 0.00 0.00 34.95 35.42 3i9s s ARG 118 CO 0.38 0.04 -0.09 -1.17 0.02 0.00 0.00 175.30 174.48 3i9s s LEU 119 N -1.11 2.02 0.27 2.53 2.96 -1.26 -4.70 118.68 119.39 3i9s s LEU 119 Ca -0.07 -0.77 0.12 0.00 -0.22 0.00 0.00 54.13 53.18 3i9s s LEU 119 Cb -0.07 -1.14 -0.05 0.00 0.50 0.00 0.00 46.19 45.43 3i9s s LEU 119 CO 0.00 -0.14 -0.19 -1.81 -1.32 0.00 0.00 176.35 172.89 3i9s s ASP 120 N 1.47 3.65 0.06 3.68 1.01 -1.26 -5.01 116.67 120.28 3i9s s ASP 120 Ca 0.00 -0.98 -0.28 0.00 0.71 0.00 0.00 52.55 52.01 3i9s s ASP 120 Cb -0.15 -0.34 0.10 0.00 1.01 0.00 0.00 42.92 43.53 3i9s s ASP 120 CO -0.08 0.05 1.15 -1.66 0.21 0.00 0.00 175.17 174.83 3i9s s TRP 121 N -2.39 -0.07 0.23 4.23 -2.14 -1.26 -4.22 118.94 113.32 3i9s s TRP 121 Ca 0.29 -0.12 0.11 0.00 2.66 0.00 0.00 56.10 59.04 3i9s s TRP 121 Cb -0.05 0.59 -0.05 0.00 -3.10 0.00 0.00 33.47 30.86 3i9s s TRP 121 CO 0.15 -0.52 -0.20 0.95 -2.66 0.00 0.00 176.95 174.67 3i9s s THR 122 N -2.76 2.54 0.25 0.66 -4.23 -1.26 -5.09 115.64 105.75 3i9s s THR 122 Ca 0.14 -2.14 0.02 0.00 -1.18 0.00 0.00 61.69 58.53 3i9s s THR 122 Cb 0.02 -2.28 -0.05 0.00 1.34 0.00 0.00 72.50 71.53 3i9s s THR 122 CO -0.01 -0.24 0.05 0.00 -0.54 0.00 0.00 174.62 173.88 3i9s s ALA 123 N -2.05 1.82 -0.18 3.99 0.00 -1.26 -5.06 121.76 119.01 3i9s s ALA 123 Ca 0.25 -1.84 -0.09 0.00 0.00 0.00 0.00 51.96 50.27 3i9s s ALA 123 Cb -0.07 0.78 -0.05 0.00 0.00 0.00 0.00 23.12 23.78 3i9s s ALA 123 CO 0.13 -0.36 0.14 -1.21 0.00 0.00 0.00 175.76 174.45 3i9s s GLU 124 N -3.95 4.05 0.24 0.00 0.41 -1.26 -4.97 118.70 113.21 3i9s s GLU 124 Ca 0.34 -0.20 0.20 0.00 -0.41 0.00 0.00 54.97 54.90 3i9s s GLU 124 Cb 0.07 -3.38 0.94 0.00 -1.78 0.00 0.00 34.13 29.99 3i9s s GLU 124 CO 0.12 0.39 1.62 -1.13 -0.49 0.00 0.00 175.26 175.76 3i9s n SER 125 N 3.22 0.52 -0.41 -0.19 3.41 -1.26 -0.61 113.62 118.30 3i9s n SER 125 Ca -0.17 0.67 0.12 0.00 -0.26 0.00 0.00 58.87 59.24 3i9s n SER 125 Cb 0.53 -0.77 0.52 0.00 -0.26 0.00 0.00 64.21 64.22 3i9s n SER 125 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3i9s n THR 126 N -2.13 0.08 -3.25 6.66 -2.24 -1.26 -4.06 114.28 108.09 3i9s n THR 126 Ca 0.01 -0.24 -0.26 0.00 -2.27 0.00 0.00 64.05 61.30 3i9s n THR 126 Cb 0.14 0.26 -0.06 0.00 -2.10 0.00 0.00 70.33 68.57 3i9s n THR 126 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3i9s n ASN 127 N 0.01 3.01 -0.08 3.42 4.05 0.22 -4.97 115.26 120.92 3i9s n ASN 127 Ca 0.18 -3.32 0.20 0.00 0.45 0.00 0.00 54.58 52.08 3i9s n ASN 127 Cb 0.29 -0.63 0.63 0.00 1.23 0.00 0.00 39.78 41.30 3i9s n ASN 127 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 177.26 173.56 3i9s h PRO 128 N 3.76 0.13 0.00 1.20 0.11 -1.72 -1.89 132.00 133.59 3i9s h PRO 128 Ca 0.15 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 66.19 3i9s h PRO 128 Cb 0.69 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.76 3i9s h PRO 128 CO 0.73 0.09 -0.31 1.79 -0.21 0.00 0.00 178.00 180.09 3i9s h THR 129 N 0.14 0.83 -0.10 -1.15 1.35 -1.93 -2.24 112.91 109.81 3i9s h THR 129 Ca 0.31 -1.27 -0.02 0.00 -0.55 0.00 0.00 66.41 64.88 3i9s h THR 129 Cb 1.05 1.78 -0.00 0.00 -1.73 0.00 0.00 68.15 69.24 3i9s h THR 129 CO -0.04 0.31 -0.02 0.00 -0.25 0.00 0.00 175.52 175.52 3i9s h ALA 130 N 1.69 0.14 -0.77 6.62 0.00 -1.70 -1.59 119.26 123.65 3i9s h ALA 130 Ca -0.00 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 3i9s h ALA 130 Cb 0.75 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 3i9s h ALA 130 CO 0.04 -0.15 0.47 0.78 0.00 0.00 0.00 179.25 180.39 3i9s h GLY 131 N -0.12 1.12 0.91 0.00 0.00 -1.59 -0.50 103.07 102.88 3i9s h GLY 131 Ca 0.03 -0.46 -0.01 0.00 0.00 0.00 0.00 47.33 46.89 3i9s h GLY 131 CO 0.01 0.44 0.09 0.50 0.00 0.00 0.00 176.54 177.58 3i9s h LYS 132 N 1.06 0.32 -0.24 4.80 1.57 -1.30 -0.52 116.57 122.26 3i9s h LYS 132 Ca 0.28 -0.05 0.04 0.00 -1.87 0.00 0.00 60.65 59.05 3i9s h LYS 132 Cb -0.05 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.17 3i9s h LYS 132 CO -0.05 0.36 -0.03 0.35 -0.57 0.00 0.00 179.45 179.50 3i9s h PHE 133 N 0.20 -0.07 -0.24 -1.35 3.57 -0.63 -0.81 116.94 117.61 3i9s h PHE 133 Ca 0.07 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.60 3i9s h PHE 133 Cb 0.15 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 3i9s h PHE 133 CO -0.02 -0.07 0.16 1.88 -2.23 0.00 0.00 178.31 178.03 3i9s h TYR 134 N 0.03 0.29 -0.85 0.41 0.05 -0.88 -2.05 116.97 113.98 3i9s h TYR 134 Ca 0.11 0.01 0.03 0.00 0.05 0.00 0.00 58.73 58.93 3i9s h TYR 134 Cb 0.16 -0.10 -0.05 0.00 1.01 0.00 0.00 36.73 37.76 3i9s h TYR 134 CO -0.22 0.18 0.55 0.87 -1.05 0.00 0.00 178.16 178.49 3i9s h LYS 135 N 0.32 1.06 0.00 4.88 1.79 -0.98 -2.06 116.57 121.57 3i9s h LYS 135 Ca 0.09 -0.06 -0.00 0.00 -2.18 0.00 0.00 60.65 58.49 3i9s h LYS 135 Cb -0.03 -0.24 -0.00 0.00 -1.58 0.00 0.00 32.23 30.38 3i9s h LYS 135 CO -0.02 0.70 -0.01 0.66 -1.08 0.00 0.00 179.45 179.69 3i9s h SER 136 N 1.09 0.00 -0.47 0.86 4.64 -0.46 -1.23 113.55 117.98 3i9s h SER 136 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 3i9s h SER 136 Cb -0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 3i9s h SER 136 CO -0.10 0.01 0.00 2.30 -0.87 0.00 0.00 176.83 178.17 3i9s n ILE 137 N -3.14 0.61 0.00 0.95 -5.35 -0.90 -4.94 119.36 106.59 3i9s n ILE 137 Ca -0.01 -0.74 0.00 0.00 -0.27 0.00 0.00 62.75 61.72 3i9s n ILE 137 Cb 0.21 0.69 0.00 0.00 -1.74 0.00 0.00 39.64 38.80 3i9s n ILE 137 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3i9s n GLY 138 N 1.47 1.01 3.79 3.28 0.00 -0.46 -5.09 105.19 109.19 3i9s n GLY 138 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 3i9s n GLY 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i9s s ALA 139 N -2.00 2.96 -0.13 4.61 0.00 -0.80 -5.01 121.76 121.39 3i9s s ALA 139 Ca 0.00 0.63 -0.10 0.00 0.00 0.00 0.00 51.96 52.49 3i9s s ALA 139 Cb 0.00 -3.25 -0.05 0.00 0.00 0.00 0.00 23.12 19.82 3i9s s ALA 139 CO 0.00 -0.24 0.19 -1.12 0.00 0.00 0.00 175.76 174.60 3i9s s SER 140 N -1.84 6.40 -0.12 0.00 0.01 -1.26 -4.45 113.70 112.45 3i9s s SER 140 Ca 0.63 0.48 -0.27 0.00 1.31 0.00 0.00 55.95 58.10 3i9s s SER 140 Cb -0.18 -2.11 -0.02 0.00 0.21 0.00 0.00 66.02 63.92 3i9s s SER 140 CO 0.22 0.29 0.87 -0.22 0.41 0.00 0.00 173.24 174.82 3i9s s LEU 141 N -0.46 4.24 -0.90 2.44 2.96 -1.26 -5.00 118.68 120.71 3i9s s LEU 141 Ca 0.15 1.32 -0.16 0.00 -0.22 0.00 0.00 54.13 55.22 3i9s s LEU 141 Cb -0.12 -3.33 0.18 0.00 0.50 0.00 0.00 46.19 43.42 3i9s s LEU 141 CO 0.04 -0.35 0.95 -0.63 -1.32 0.00 0.00 176.35 175.04 3i9s s ILE 142 N 1.76 5.26 0.36 6.68 -1.09 -1.26 -4.89 121.20 128.02 3i9s s ILE 142 Ca 0.42 -2.16 0.20 0.00 -2.23 0.00 0.00 60.65 56.88 3i9s s ILE 142 Cb -0.18 -4.62 0.20 0.00 -1.58 0.00 0.00 42.46 36.29 3i9s s ILE 142 CO 0.17 -1.25 1.94 0.03 -1.23 0.00 0.00 174.94 174.59 3i9s h ARG 143 N 8.13 0.00 0.00 2.79 3.08 -2.07 -2.31 114.38 124.00 3i9s h ARG 143 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.19 3i9s h ARG 143 Cb 1.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.07 3i9s h ARG 143 CO 0.92 0.24 0.00 0.39 -1.07 0.00 0.00 179.97 180.45 3i9s n GLU 144 N -3.84 0.05 -2.43 0.04 1.02 -1.26 -4.76 120.64 109.45 3i9s n GLU 144 Ca -0.02 0.25 -0.42 0.00 -0.02 0.00 0.00 57.16 56.95 3i9s n GLU 144 Cb 0.33 -1.58 -0.03 0.00 -0.02 0.00 0.00 31.44 30.14 3i9s n GLU 144 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 3i9s s LYS 145 N -3.06 4.38 -0.14 3.49 2.47 -0.87 -5.03 119.74 120.98 3i9s s LYS 145 Ca 0.08 1.72 -0.01 0.00 -1.56 0.00 0.00 55.97 56.20 3i9s s LYS 145 Cb 0.11 -3.49 -0.02 0.00 -1.46 0.00 0.00 37.83 32.97 3i9s s LYS 145 CO 0.34 -0.38 -0.10 -1.21 0.16 0.00 0.00 175.35 174.15 3i9s s GLU 146 N 1.81 3.47 -0.32 4.03 2.02 -1.26 -5.08 118.70 123.37 3i9s s GLU 146 Ca 0.57 -0.64 -0.11 0.00 0.02 0.00 0.00 54.97 54.82 3i9s s GLU 146 Cb -0.27 -2.71 -0.01 0.00 0.10 0.00 0.00 34.13 31.24 3i9s s GLU 146 CO 0.25 0.22 0.18 -0.47 0.02 0.00 0.00 175.26 175.46 3i9s s TYR 147 N 0.35 3.19 0.26 1.61 6.14 -1.26 -5.08 117.35 122.55 3i9s s TYR 147 Ca -0.09 -0.41 0.09 0.00 0.64 0.00 0.00 57.07 57.29 3i9s s TYR 147 Cb -0.15 -2.39 -0.04 0.00 0.42 0.00 0.00 41.96 39.80 3i9s s TYR 147 CO 0.05 -0.40 0.05 0.71 0.64 0.00 0.00 175.55 176.60 3i9s s TYR 148 N 1.65 2.82 -0.26 4.97 1.51 -1.26 -5.14 117.35 121.65 3i9s s TYR 148 Ca 0.05 -0.19 -0.17 0.00 -1.01 0.00 0.00 57.07 55.76 3i9s s TYR 148 Cb -0.17 -1.26 0.07 0.00 -0.11 0.00 0.00 41.96 40.49 3i9s s TYR 148 CO 0.08 0.59 0.65 0.50 -1.11 0.00 0.00 175.55 176.25 3i9s s ARG 149 N -3.69 0.68 -0.12 -0.62 3.52 -1.26 -5.13 118.95 112.34 3i9s s ARG 149 Ca 0.32 1.11 -0.03 0.00 -0.13 0.00 0.00 55.73 57.00 3i9s s ARG 149 Cb -0.07 0.17 -0.03 0.00 -1.56 0.00 0.00 34.95 33.46 3i9s s ARG 149 CO 0.21 -0.14 -0.02 -0.06 -0.81 0.00 0.00 175.30 174.49 3i9s s PHE 150 N 1.34 3.09 0.07 5.12 0.08 -1.26 -5.07 117.98 121.35 3i9s s PHE 150 Ca -0.08 -0.01 -0.07 0.00 0.12 0.00 0.00 56.93 56.89 3i9s s PHE 150 Cb -0.05 -1.86 -0.01 0.00 -0.57 0.00 0.00 43.02 40.52 3i9s s PHE 150 CO -0.15 0.25 0.14 -1.83 -0.10 0.00 0.00 175.22 173.53 3i9s s GLU 151 N -0.32 0.76 3.60 0.44 -1.05 -1.26 -4.75 118.70 116.12 3i9s s GLU 151 Ca 0.06 -0.97 0.00 0.00 -0.15 0.00 0.00 54.97 53.91 3i9s s GLU 151 Cb -0.12 0.30 0.00 0.00 -0.44 0.00 0.00 34.13 33.87 3i9s s GLU 151 CO 0.02 -0.22 0.00 0.41 0.95 0.00 0.00 175.26 176.42 3i9s n GLY 152 N 0.11 2.83 0.14 -3.83 0.00 -1.26 -1.83 105.19 101.35 3i9s n GLY 152 Ca -0.15 0.31 -0.11 0.00 0.00 0.00 0.00 46.02 46.06 3i9s n GLY 152 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3i9s h ASN 153 N 0.00 0.37 -0.77 1.61 -0.26 -1.99 -0.28 115.58 114.27 3i9s h ASN 153 Ca 0.00 -0.28 0.14 0.00 -0.56 0.00 0.00 56.30 55.60 3i9s h ASN 153 Cb 0.00 -0.10 -0.05 0.00 -1.06 0.00 0.00 38.32 37.11 3i9s h ASN 153 CO 0.00 0.56 0.51 1.23 -1.06 0.00 0.00 177.43 178.67 3i9s h GLY 154 N 0.17 0.81 0.70 2.83 0.00 -1.78 0.40 103.07 106.21 3i9s h GLY 154 Ca 0.07 -0.21 -0.07 0.00 0.00 0.00 0.00 47.33 47.11 3i9s h GLY 154 CO 0.01 0.08 -0.23 -2.00 0.00 0.00 0.00 176.54 174.40 3i9s h LEU 155 N 0.49 0.37 -1.25 3.11 5.85 -1.08 -1.63 115.31 121.18 3i9s h LEU 155 Ca 0.37 -0.57 -0.00 0.00 0.84 0.00 0.00 57.88 58.52 3i9s h LEU 155 Cb 0.76 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.64 3i9s h LEU 155 CO -0.13 0.88 0.44 0.78 -0.34 0.00 0.00 178.44 180.07 3i9s h ASN 156 N -0.11 0.83 -0.09 1.25 2.35 0.39 -2.40 115.58 117.79 3i9s h ASN 156 Ca 0.00 -0.04 -0.03 0.00 -0.55 0.00 0.00 56.30 55.68 3i9s h ASN 156 Cb 0.82 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.98 3i9s h ASN 156 CO 0.05 0.63 -0.07 0.11 -1.65 0.00 0.00 177.43 176.50 3i9s h LYS 157 N 0.97 0.21 -0.76 0.81 1.57 -0.21 -1.65 116.57 117.51 3i9s h LYS 157 Ca 0.26 -0.11 0.14 0.00 -1.87 0.00 0.00 60.65 59.07 3i9s h LYS 157 Cb -0.06 -0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.16 3i9s h LYS 157 CO -0.05 0.61 0.32 1.25 -0.57 0.00 0.00 179.45 181.01 3i9s h LEU 158 N -0.18 0.33 -0.44 2.94 5.85 -1.14 0.15 115.31 122.82 3i9s h LEU 158 Ca 0.02 0.10 -0.18 0.00 0.84 0.00 0.00 57.88 58.66 3i9s h LEU 158 Cb 0.56 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.65 3i9s h LEU 158 CO 0.02 0.13 -0.69 0.00 -0.34 0.00 0.00 178.44 177.56 3i9s h ALA 159 N 1.53 0.63 0.25 1.25 0.00 -1.41 -3.33 119.26 118.18 3i9s h ALA 159 Ca 0.41 -0.59 -0.32 0.00 0.00 0.00 0.00 54.91 54.41 3i9s h ALA 159 Cb 0.60 -0.06 0.04 0.00 0.00 0.00 0.00 17.79 18.37 3i9s h ALA 159 CO -0.38 0.75 -1.42 -0.22 0.00 0.00 0.00 179.25 177.97 3i9s h LYS 160 N 0.29 0.52 0.00 0.00 3.64 -0.40 -3.52 116.57 117.11 3i9s h LYS 160 Ca -0.02 -0.89 0.00 0.00 -1.27 0.00 0.00 60.65 58.46 3i9s h LYS 160 Cb 1.25 0.33 0.00 0.00 -0.41 0.00 0.00 32.23 33.41 3i9s h LYS 160 CO 0.12 1.43 0.00 0.43 -2.27 0.00 0.00 179.45 179.16