#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i9s n SER 2 N 0.00 1.31 -4.59 1.61 2.88 -1.26 -5.19 113.62 108.39 3i9s n SER 2 Ca 0.00 0.20 -0.42 0.00 -1.33 0.00 0.00 58.87 57.32 3i9s n SER 2 Cb 0.00 -0.48 -0.05 0.00 -0.75 0.00 0.00 64.21 62.93 3i9s n SER 2 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 3i9s s VAL 3 N -2.36 4.71 -0.05 2.46 1.01 -1.26 -4.50 120.40 120.41 3i9s s VAL 3 Ca -0.14 0.89 -0.04 0.00 0.00 0.00 0.00 61.98 62.69 3i9s s VAL 3 Cb 0.03 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.15 3i9s s VAL 3 CO 0.20 -0.46 0.14 -1.61 0.00 0.00 0.00 175.10 173.38 3i9s s GLU 4 N 3.14 3.36 -0.21 2.72 2.02 0.12 -4.89 118.70 124.96 3i9s s GLU 4 Ca 0.32 -0.28 -0.07 0.00 0.02 0.00 0.00 54.97 54.95 3i9s s GLU 4 Cb -0.13 -3.08 -0.04 0.00 0.10 0.00 0.00 34.13 30.99 3i9s s GLU 4 CO 0.17 0.71 0.06 0.42 0.02 0.00 0.00 175.26 176.65 3i9s s ILE 5 N -1.17 4.56 0.06 -1.63 -1.09 -1.26 -0.03 121.20 120.64 3i9s s ILE 5 Ca 0.21 -0.10 -0.05 0.00 -2.23 0.00 0.00 60.65 58.48 3i9s s ILE 5 Cb -0.12 -3.09 -0.02 0.00 -1.58 0.00 0.00 42.46 37.65 3i9s s ILE 5 CO 0.12 0.40 0.07 -1.59 -1.23 0.00 0.00 174.94 172.71 3i9s s LYS 6 N 0.95 0.69 0.47 2.79 -2.85 -0.46 -4.95 119.74 116.38 3i9s s LYS 6 Ca 0.04 -1.04 -0.22 0.00 -1.00 0.00 0.00 55.97 53.75 3i9s s LYS 6 Cb -0.14 0.26 -0.07 0.00 -2.06 0.00 0.00 37.83 35.82 3i9s s LYS 6 CO 0.03 -0.18 1.15 -0.98 0.10 0.00 0.00 175.35 175.47 3i9s s ARG 7 N -3.65 3.71 -0.16 1.78 1.70 -1.26 -0.94 118.95 120.12 3i9s s ARG 7 Ca 0.04 1.73 -0.01 0.00 -0.47 0.00 0.00 55.73 57.02 3i9s s ARG 7 Cb 0.05 -2.34 -0.01 0.00 -0.57 0.00 0.00 34.95 32.08 3i9s s ARG 7 CO -0.09 -0.58 -0.11 0.08 -1.08 0.00 0.00 175.30 173.51 3i9s s VAL 8 N -1.59 3.02 0.46 4.99 1.01 -0.60 -4.88 120.40 122.80 3i9s s VAL 8 Ca 0.65 -0.65 0.06 0.00 0.00 0.00 0.00 61.98 62.04 3i9s s VAL 8 Cb -0.27 -2.30 -0.02 0.00 0.00 0.00 0.00 36.38 33.78 3i9s s VAL 8 CO 0.33 0.50 0.23 -1.81 0.00 0.00 0.00 175.10 174.34 3i9s s ASP 9 N 0.79 4.49 0.24 3.32 1.01 -1.26 -4.41 116.67 120.84 3i9s s ASP 9 Ca -0.04 -1.16 -0.05 0.00 0.71 0.00 0.00 52.55 52.01 3i9s s ASP 9 Cb -0.15 -0.15 0.45 0.00 1.01 0.00 0.00 42.92 44.08 3i9s s ASP 9 CO 0.01 -0.73 1.71 0.50 0.21 0.00 0.00 175.17 176.87 3i9s h LYS 10 N 1.22 0.34 -0.11 8.23 3.64 -1.98 0.31 116.57 128.22 3i9s h LYS 10 Ca -0.41 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 58.98 3i9s h LYS 10 Cb 1.27 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 33.01 3i9s h LYS 10 CO 0.66 0.23 0.11 1.25 -2.27 0.00 0.00 179.45 179.43 3i9s h HIS 11 N 0.35 0.00 -0.08 1.91 2.76 -2.01 -2.21 115.15 115.88 3i9s h HIS 11 Ca 0.41 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.58 3i9s h HIS 11 Cb 0.65 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.61 3i9s h HIS 11 CO -0.21 0.00 -0.01 0.72 -1.30 0.00 0.00 177.93 177.13 3i9s n HIS 12 N -3.98 0.30 0.27 5.26 8.25 0.05 -4.78 115.22 120.60 3i9s n HIS 12 Ca -0.00 -0.97 0.12 0.00 -0.26 0.00 0.00 57.72 56.61 3i9s n HIS 12 Cb 0.22 -0.21 0.78 0.00 1.12 0.00 0.00 29.99 31.90 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 0.19 0.31 0.00 4.77 -1.26 -1.66 117.00 115.43 3i9s n LEU 14 Ca -0.03 0.54 0.21 0.00 -0.03 0.00 0.00 56.01 56.70 3i9s n LEU 14 Cb 0.15 -0.50 1.02 0.00 -2.33 0.00 0.00 43.42 41.76 3i9s n LEU 14 CO 0.30 -0.26 1.11 0.44 -1.33 0.00 0.00 177.39 177.65 3i9s h ASP 15 N 0.00 0.00 0.17 -1.43 3.32 -1.58 -2.22 116.42 114.68 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 0.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.90 3i9s h ASP 15 CO 0.00 0.00 -0.08 0.18 -1.72 0.00 0.00 179.24 177.62 3i9s n LEU 16 N -3.03 0.80 -0.08 1.55 4.77 -0.66 -4.40 117.00 115.95 3i9s n LEU 16 Ca -0.02 -0.19 -0.09 0.00 -0.03 0.00 0.00 56.01 55.68 3i9s n LEU 16 Cb 0.14 -0.09 -0.01 0.00 -2.33 0.00 0.00 43.42 41.13 3i9s n LEU 16 CO 0.22 0.14 0.98 0.58 -1.33 0.00 0.00 177.39 177.98 3i9s h VAL 17 N 1.13 1.04 0.24 4.08 2.07 -1.58 -0.83 116.25 122.40 3i9s h VAL 17 Ca 0.00 -0.12 0.01 0.00 0.82 0.00 0.00 66.70 67.40 3i9s h VAL 17 Cb 0.37 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 3i9s h VAL 17 CO 0.00 0.07 -0.32 1.23 0.02 0.00 0.00 177.57 178.57 3i9s h GLY 18 N 0.36 -0.68 1.78 2.17 0.00 -1.82 -1.21 103.07 103.67 3i9s h GLY 18 Ca 0.11 0.37 -0.03 0.00 0.00 0.00 0.00 47.33 47.78 3i9s h GLY 18 CO -0.05 -0.26 -0.02 1.19 0.00 0.00 0.00 176.54 177.40 3i9s h ILE 19 N -0.61 1.14 -0.28 2.60 6.09 -1.82 -2.50 117.51 122.12 3i9s h ILE 19 Ca 0.00 -0.54 -0.14 0.00 -1.37 0.00 0.00 64.86 62.81 3i9s h ILE 19 Cb 0.59 1.01 -0.01 0.00 0.47 0.00 0.00 36.82 38.88 3i9s h ILE 19 CO -0.11 0.18 -0.41 -0.26 -3.07 0.00 0.00 178.15 174.48 3i9s h PHE 20 N 0.28 0.81 -0.27 2.19 -1.00 -0.72 -0.68 116.94 117.55 3i9s h PHE 20 Ca 0.06 -0.24 0.02 0.00 2.81 0.00 0.00 57.97 60.63 3i9s h PHE 20 Cb 0.22 -0.17 -0.03 0.00 3.61 0.00 0.00 35.95 39.59 3i9s h PHE 20 CO 0.00 0.98 0.11 0.82 -1.61 0.00 0.00 178.31 178.61 3i9s h ILE 21 N 0.56 0.96 -0.50 -0.55 2.04 -0.81 0.16 117.51 119.36 3i9s h ILE 21 Ca 0.04 -0.08 0.05 0.00 1.00 0.00 0.00 64.86 65.87 3i9s h ILE 21 Cb 0.94 0.69 -0.04 0.00 -0.74 0.00 0.00 36.82 37.66 3i9s h ILE 21 CO 0.09 0.04 0.25 -0.08 0.00 0.00 0.00 178.15 178.45 3i9s h GLU 22 N 0.25 0.47 -0.10 2.37 4.81 -1.23 -1.15 114.58 120.00 3i9s h GLU 22 Ca 0.12 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.33 3i9s h GLU 22 Cb 0.07 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 3i9s h GLU 22 CO -0.10 0.31 0.02 1.25 -0.73 0.00 0.00 179.01 179.75 3i9s h LEU 23 N 0.48 0.01 -0.63 1.64 6.46 -0.59 -2.02 115.31 120.66 3i9s h LEU 23 Ca 0.22 0.01 0.07 0.00 -0.12 0.00 0.00 57.88 58.06 3i9s h LEU 23 Cb 0.14 0.02 -0.06 0.00 -0.73 0.00 0.00 40.66 40.03 3i9s h LEU 23 CO -0.16 0.02 0.32 -0.33 -0.62 0.00 0.00 178.44 177.67 3i9s h GLU 24 N 0.06 0.56 -0.64 1.25 4.39 -0.37 -1.02 114.58 118.82 3i9s h GLU 24 Ca 0.04 -0.03 0.02 0.00 0.34 0.00 0.00 59.36 59.72 3i9s h GLU 24 Cb 0.03 -0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 28.52 3i9s h GLU 24 CO -0.05 0.37 0.41 0.00 -1.16 0.00 0.00 179.01 178.57 3i9s h ARG 25 N 0.58 0.80 0.32 2.33 3.08 -1.04 0.14 114.38 120.58 3i9s h ARG 25 Ca 0.30 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.29 3i9s h ARG 25 Cb 0.25 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 3i9s h ARG 25 CO -0.22 0.53 -0.25 -0.92 -1.07 0.00 0.00 179.97 178.04 3i9s h TYR 26 N 0.82 -0.67 0.02 3.04 5.03 -0.60 0.12 116.97 124.73 3i9s h TYR 26 Ca 0.24 -0.00 -0.20 0.00 2.58 0.00 0.00 58.73 61.35 3i9s h TYR 26 Cb -0.04 0.25 -0.02 0.00 1.55 0.00 0.00 36.73 38.47 3i9s h TYR 26 CO -0.04 -0.38 -0.95 1.88 -1.32 0.00 0.00 178.16 177.36 3i9s h TYR 27 N -0.58 0.11 0.00 -3.82 0.05 -1.14 -3.38 116.97 108.22 3i9s h TYR 27 Ca -0.02 -0.07 0.00 0.00 0.05 0.00 0.00 58.73 58.69 3i9s h TYR 27 Cb 0.51 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.24 3i9s h TYR 27 CO -0.14 0.97 0.00 1.19 -1.05 0.00 0.00 178.16 179.13 3i9s n PHE 28 N -3.50 0.00 0.00 4.88 3.72 0.49 -5.07 117.46 117.98 3i9s n PHE 28 Ca -0.02 -0.01 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 3i9s n PHE 28 Cb 0.88 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.41 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 -0.01 2.01 0.23 1.37 0.00 0.41 0.29 105.19 109.49 3i9s n GLY 29 Ca 0.00 0.15 0.22 0.00 0.00 0.00 0.00 46.02 46.39 3i9s n GLY 29 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i9s n ASP 30 N 1.31 0.23 -1.08 1.61 9.92 -1.26 -0.68 116.55 126.60 3i9s n ASP 30 Ca 0.00 1.17 0.06 0.00 -0.53 0.00 0.00 54.79 55.50 3i9s n ASP 30 Cb 0.00 -0.56 0.23 0.00 -0.64 0.00 0.00 41.12 40.14 3i9s n ASP 30 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 3i9s n LYS 31 N -4.62 2.64 -1.72 -1.24 5.02 0.15 -4.93 118.16 113.46 3i9s n LYS 31 Ca 0.26 -1.82 -0.40 0.00 -2.02 0.00 0.00 58.31 54.33 3i9s n LYS 31 Cb 0.89 -1.61 0.02 0.00 -0.02 0.00 0.00 35.03 34.31 3i9s n LYS 31 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i9s n ALA 32 N 0.69 1.50 -1.59 7.82 0.00 0.15 -4.95 120.51 124.13 3i9s n ALA 32 Ca 0.17 0.22 -0.32 0.00 0.00 0.00 0.00 53.44 53.51 3i9s n ALA 32 Cb 0.58 -2.31 0.03 0.00 0.00 0.00 0.00 19.45 17.75 3i9s n ALA 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i9s s ALA 33 N -1.23 2.65 0.85 0.00 0.00 -1.26 -5.01 121.76 117.75 3i9s s ALA 33 Ca 0.64 0.34 -0.12 0.00 0.00 0.00 0.00 51.96 52.82 3i9s s ALA 33 Cb -0.47 -3.24 0.10 0.00 0.00 0.00 0.00 23.12 19.51 3i9s s ALA 33 CO 0.56 -1.04 1.12 -1.54 0.00 0.00 0.00 175.76 174.85 3i9s s SER 34 N -3.00 4.07 0.17 0.00 1.04 -1.26 -4.86 113.70 109.85 3i9s s SER 34 Ca 0.63 1.13 -0.15 0.00 0.48 0.00 0.00 55.95 58.04 3i9s s SER 34 Cb -0.16 -1.79 0.06 0.00 0.10 0.00 0.00 66.02 64.23 3i9s s SER 34 CO 0.43 -2.21 1.81 -0.08 0.98 0.00 0.00 173.24 174.16 3i9s h GLU 35 N -1.26 0.54 -0.58 4.02 4.81 -1.98 -1.09 114.58 119.04 3i9s h GLU 35 Ca -0.48 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 58.68 3i9s h GLU 35 Cb 1.30 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 30.53 3i9s h GLU 35 CO 0.61 0.36 0.25 1.96 -0.73 0.00 0.00 179.01 181.45 3i9s h GLN 36 N 0.56 0.83 -0.05 1.92 1.08 -2.00 -1.38 115.11 116.07 3i9s h GLN 36 Ca 0.18 -0.12 -0.21 0.00 -1.45 0.00 0.00 58.65 57.05 3i9s h GLN 36 Cb -0.01 -0.15 0.00 0.00 -0.05 0.00 0.00 27.48 27.28 3i9s h GLN 36 CO -0.07 0.67 -0.85 -0.44 -0.95 0.00 0.00 178.83 177.19 3i9s h ASP 37 N 0.83 0.61 -0.14 1.46 3.32 -1.84 -2.82 116.42 117.83 3i9s h ASP 37 Ca 0.20 -0.44 -0.09 0.00 0.02 0.00 0.00 57.03 56.72 3i9s h ASP 37 Cb 0.14 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 3i9s h ASP 37 CO -0.02 1.22 -0.21 -0.07 -1.72 0.00 0.00 179.24 178.44 3i9s h LEU 38 N 0.31 0.56 -0.66 1.55 3.38 -0.96 0.11 115.31 119.59 3i9s h LEU 38 Ca -0.06 -0.18 -0.09 0.00 0.09 0.00 0.00 57.88 57.63 3i9s h LEU 38 Cb 1.47 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 42.04 3i9s h LEU 38 CO 0.15 0.78 0.02 0.00 0.09 0.00 0.00 178.44 179.48 3i9s h ALA 39 N 1.27 0.88 -0.29 1.53 0.00 -1.19 -0.06 119.26 121.40 3i9s h ALA 39 Ca 0.08 -0.30 -0.16 0.00 0.00 0.00 0.00 54.91 54.53 3i9s h ALA 39 Cb 0.64 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 3i9s h ALA 39 CO 0.05 0.66 -0.45 -0.91 0.00 0.00 0.00 179.25 178.60 3i9s h ASN 40 N 0.97 0.89 -0.08 0.00 2.35 -1.28 -1.67 115.58 116.76 3i9s h ASN 40 Ca 0.18 -0.52 0.04 0.00 -0.55 0.00 0.00 56.30 55.45 3i9s h ASN 40 Cb 0.53 -0.25 -0.06 0.00 0.05 0.00 0.00 38.32 38.59 3i9s h ASN 40 CO 0.03 1.23 -0.29 0.22 -1.65 0.00 0.00 177.43 176.97 3i9s h TYR 41 N 0.57 -0.78 -0.26 1.19 3.20 -0.77 0.07 116.97 120.19 3i9s h TYR 41 Ca 0.03 0.03 0.04 0.00 3.14 0.00 0.00 58.73 61.96 3i9s h TYR 41 Cb 1.05 0.36 -0.03 0.00 1.54 0.00 0.00 36.73 39.64 3i9s h TYR 41 CO 0.08 -0.37 0.05 -0.07 -1.64 0.00 0.00 178.16 176.20 3i9s h LEU 42 N -0.39 0.01 -0.43 2.82 3.38 -1.01 0.20 115.31 119.89 3i9s h LEU 42 Ca 0.08 0.04 -0.17 0.00 0.09 0.00 0.00 57.88 57.92 3i9s h LEU 42 Cb 0.51 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 3i9s h LEU 42 CO -0.30 0.04 -0.78 0.28 0.09 0.00 0.00 178.44 177.77 3i9s h SER 43 N 0.15 0.14 0.00 -0.43 0.02 -1.07 -2.36 113.55 110.01 3i9s h SER 43 Ca 0.12 -0.11 -0.04 0.00 -0.84 0.00 0.00 61.79 60.92 3i9s h SER 43 Cb 0.12 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 3i9s h SER 43 CO -0.16 0.87 -1.58 1.41 -1.14 0.00 0.00 176.83 176.22 3i9s n HIS 44 N -3.68 0.00 0.03 3.45 8.25 -0.01 -4.63 115.22 118.64 3i9s n HIS 44 Ca -0.02 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.43 3i9s n HIS 44 Cb 0.75 -0.33 -0.00 0.00 1.12 0.00 0.00 29.99 31.53 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 -2.01 0.06 -0.34 -0.41 6.02 -0.06 -4.56 117.38 116.08 3i9s n GLN 45 Ca -0.05 0.02 0.04 0.00 -0.01 0.00 0.00 57.00 57.00 3i9s n GLN 45 Cb 0.42 -0.60 0.19 0.00 1.02 0.00 0.00 30.24 31.28 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 -0.12 0.97 -3.47 5.09 2.07 -1.30 -3.18 116.25 116.31 3i9s h VAL 46 Ca 0.00 -0.33 -0.68 0.00 0.82 0.00 0.00 66.70 66.50 3i9s h VAL 46 Cb 0.12 -0.09 -0.37 0.00 -1.52 0.00 0.00 31.29 29.43 3i9s h VAL 46 CO 0.00 0.18 -0.38 -0.36 0.02 0.00 0.00 177.57 177.03 3i9s s PHE 47 N -6.01 3.44 0.28 1.57 0.40 -0.89 -4.80 117.98 111.97 3i9s s PHE 47 Ca -0.12 -2.88 -0.05 0.00 -0.60 0.00 0.00 56.93 53.28 3i9s s PHE 47 Cb 0.20 -3.11 -0.01 0.00 0.51 0.00 0.00 43.02 40.61 3i9s s PHE 47 CO 0.80 -0.79 0.38 -1.54 0.70 0.00 0.00 175.22 174.77 3i9s s SER 48 N 0.26 0.49 0.29 1.36 1.04 -1.20 -4.31 113.70 111.63 3i9s s SER 48 Ca 0.19 -1.32 0.02 0.00 0.48 0.00 0.00 55.95 55.33 3i9s s SER 48 Cb -0.18 0.57 0.46 0.00 0.10 0.00 0.00 66.02 66.96 3i9s s SER 48 CO -0.05 -1.13 1.77 -0.33 0.98 0.00 0.00 173.24 174.49 3i9s h GLU 49 N 2.27 0.55 -0.00 4.02 5.08 -1.90 -2.90 114.58 121.70 3i9s h GLU 49 Ca -0.29 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 3i9s h GLU 49 Cb 1.24 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.44 3i9s h GLU 49 CO 0.41 0.67 -0.25 -2.39 -1.00 0.00 0.00 179.01 176.45 3i9s n HIS 50 N -4.19 0.00 -2.33 4.33 1.44 -1.26 -4.89 115.22 108.32 3i9s n HIS 50 Ca 0.01 0.00 -0.41 0.00 -2.01 0.00 0.00 57.72 55.31 3i9s n HIS 50 Cb 0.34 -0.35 -0.03 0.00 0.12 0.00 0.00 29.99 30.07 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 -2.95 7.04 0.00 4.39 0.15 -1.10 -4.93 113.70 116.30 3i9s s SER 51 Ca 0.14 2.30 0.23 0.00 0.70 0.00 0.00 55.95 59.32 3i9s s SER 51 Cb 0.18 -2.61 0.27 0.00 -1.71 0.00 0.00 66.02 62.16 3i9s s SER 51 CO 0.61 -0.40 1.29 0.61 1.20 0.00 0.00 173.24 176.55 3i9s n GLY 52 N 2.06 1.23 3.86 9.45 0.00 -1.26 -4.86 105.19 115.67 3i9s n GLY 52 Ca 0.04 -0.68 -0.23 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.73 4.70 0.42 1.61 -7.23 -1.26 -4.56 120.40 112.35 3i9s s VAL 53 Ca 0.31 -1.21 0.07 0.00 -1.81 0.00 0.00 61.98 59.34 3i9s s VAL 53 Cb 0.20 -3.51 -0.06 0.00 0.56 0.00 0.00 36.38 33.57 3i9s s VAL 53 CO 0.29 -0.29 0.09 -0.54 -0.31 0.00 0.00 175.10 174.35 3i9s s LYS 54 N -3.72 2.09 -0.03 4.82 1.02 -0.12 -4.93 119.74 118.87 3i9s s LYS 54 Ca 0.33 -2.02 0.02 0.00 0.02 0.00 0.00 55.97 54.32 3i9s s LYS 54 Cb -0.09 -1.79 0.01 0.00 -0.52 0.00 0.00 37.83 35.45 3i9s s LYS 54 CO 0.26 -0.11 -0.06 0.08 -0.92 0.00 0.00 175.35 174.59 3i9s s VAL 55 N -2.68 0.63 0.18 3.17 1.01 -1.26 -1.81 120.40 119.64 3i9s s VAL 55 Ca 0.36 -0.23 0.10 0.00 0.00 0.00 0.00 61.98 62.21 3i9s s VAL 55 Cb 0.07 -0.60 -0.04 0.00 0.00 0.00 0.00 36.38 35.80 3i9s s VAL 55 CO 0.19 0.22 -0.16 0.27 0.00 0.00 0.00 175.10 175.62 3i9s s ILE 56 N 0.53 2.84 -0.00 2.22 -4.36 -0.65 -1.56 121.20 120.21 3i9s s ILE 56 Ca -0.07 -1.80 -0.03 0.00 -0.26 0.00 0.00 60.65 58.49 3i9s s ILE 56 Cb -0.11 -2.38 -0.00 0.00 1.25 0.00 0.00 42.46 41.21 3i9s s ILE 56 CO 0.00 -0.10 0.05 0.00 0.24 0.00 0.00 174.94 175.13 3i9s s ALA 57 N -1.66 -0.10 -0.13 2.27 0.00 -0.12 -0.79 121.76 121.24 3i9s s ALA 57 Ca 0.23 -0.17 -0.18 0.00 0.00 0.00 0.00 51.96 51.83 3i9s s ALA 57 Cb -0.09 0.04 -0.04 0.00 0.00 0.00 0.00 23.12 23.03 3i9s s ALA 57 CO 0.13 -0.12 0.49 0.00 0.00 0.00 0.00 175.76 176.26 3i9s s ALA 58 N -0.84 3.48 -0.02 0.00 0.00 -0.33 -1.35 121.76 122.70 3i9s s ALA 58 Ca -0.09 -0.22 0.03 0.00 0.00 0.00 0.00 51.96 51.68 3i9s s ALA 58 Cb -0.06 -2.69 -0.00 0.00 0.00 0.00 0.00 23.12 20.37 3i9s s ALA 58 CO 0.00 -0.10 -0.12 0.08 0.00 0.00 0.00 175.76 175.63 3i9s s VAL 59 N 0.85 0.95 -0.13 0.00 1.01 0.96 -0.47 120.40 123.57 3i9s s VAL 59 Ca 0.26 -0.49 -0.07 0.00 0.00 0.00 0.00 61.98 61.68 3i9s s VAL 59 Cb -0.15 -0.82 0.05 0.00 0.00 0.00 0.00 36.38 35.46 3i9s s VAL 59 CO 0.10 0.28 0.32 -0.70 0.00 0.00 0.00 175.10 175.10 3i9s s GLU 60 N -0.08 0.30 -1.45 2.72 2.12 -0.62 -0.70 118.70 120.98 3i9s s GLU 60 Ca 0.01 0.62 -0.07 0.00 0.36 0.00 0.00 54.97 55.89 3i9s s GLU 60 Cb -0.07 -0.05 0.03 0.00 0.26 0.00 0.00 34.13 34.31 3i9s s GLU 60 CO 0.00 -0.15 0.61 0.72 -0.54 0.00 0.00 175.26 175.90 3i9s n HIS 61 N 4.08 -1.96 -1.57 5.30 8.25 -1.26 -1.64 115.22 126.41 3i9s n HIS 61 Ca -0.23 0.54 -0.17 0.00 -0.26 0.00 0.00 57.72 57.60 3i9s n HIS 61 Cb 0.54 -3.94 -0.07 0.00 1.12 0.00 0.00 29.99 27.64 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 -2.47 -5.04 -4.34 0.41 2.03 -1.26 -4.99 116.55 100.88 3i9s n ASP 62 Ca -0.07 0.38 -0.30 0.00 0.52 0.00 0.00 54.79 55.32 3i9s n ASP 62 Cb 0.59 -4.05 -0.15 0.00 -0.72 0.00 0.00 41.12 36.79 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 -3.57 1.92 -0.18 -0.67 -0.14 -0.65 -5.11 119.74 111.34 3i9s s LYS 63 Ca 0.00 -1.04 -0.26 0.00 -1.36 0.00 0.00 55.97 53.31 3i9s s LYS 63 Cb 0.00 -2.02 -0.01 0.00 -1.68 0.00 0.00 37.83 34.12 3i9s s LYS 63 CO 0.00 0.53 0.86 0.08 -0.76 0.00 0.00 175.35 176.06 3i9s s VAL 64 N -0.75 4.85 -0.12 3.17 1.01 -1.26 -1.59 120.40 125.71 3i9s s VAL 64 Ca 0.11 1.68 0.21 0.00 0.00 0.00 0.00 61.98 63.99 3i9s s VAL 64 Cb -0.10 -4.16 -0.21 0.00 0.00 0.00 0.00 36.38 31.91 3i9s s VAL 64 CO 0.01 -0.00 0.66 0.18 0.00 0.00 0.00 175.10 175.95 3i9s n LEU 65 N 5.40 0.35 -3.61 3.92 4.77 0.38 -4.76 117.00 123.45 3i9s n LEU 65 Ca 0.05 0.14 -0.02 0.00 -0.03 0.00 0.00 56.01 56.15 3i9s n LEU 65 Cb 0.48 0.02 -0.01 0.00 -2.33 0.00 0.00 43.42 41.58 3i9s n LEU 65 CO 0.49 -0.01 1.01 -0.83 -1.33 0.00 0.00 177.39 176.72 3i9s s GLY 66 N -4.56 -0.34 0.17 -0.72 0.00 -1.23 -0.99 107.32 99.65 3i9s s GLY 66 Ca -0.05 1.23 -0.11 0.00 0.00 0.00 0.00 44.72 45.78 3i9s s GLY 66 CO 0.86 0.37 0.34 -0.11 0.00 0.00 0.00 173.10 174.56 3i9s s PHE 67 N -2.46 0.25 -0.00 1.90 -0.12 -0.34 -1.19 117.98 116.02 3i9s s PHE 67 Ca 0.11 -0.61 0.02 0.00 -0.05 0.00 0.00 56.93 56.40 3i9s s PHE 67 Cb 0.01 0.06 -0.00 0.00 -0.63 0.00 0.00 43.02 42.46 3i9s s PHE 67 CO -0.04 -0.76 -0.05 0.00 -0.05 0.00 0.00 175.22 174.31 3i9s s ALA 68 N -3.94 0.45 -0.03 1.99 0.00 0.03 -1.82 121.76 118.45 3i9s s ALA 68 Ca 0.14 -0.23 0.02 0.00 0.00 0.00 0.00 51.96 51.90 3i9s s ALA 68 Cb 0.02 -0.12 -0.03 0.00 0.00 0.00 0.00 23.12 22.99 3i9s s ALA 68 CO -0.01 0.11 -0.07 0.95 0.00 0.00 0.00 175.76 176.74 3i9s s THR 69 N -0.11 3.67 0.13 0.00 -4.23 -0.77 -1.64 115.64 112.70 3i9s s THR 69 Ca 0.02 -0.64 -0.12 0.00 -1.18 0.00 0.00 61.69 59.76 3i9s s THR 69 Cb -0.02 -2.55 0.01 0.00 1.34 0.00 0.00 72.50 71.27 3i9s s THR 69 CO -0.00 0.48 0.33 -0.72 -0.54 0.00 0.00 174.62 174.17 3i9s s TYR 70 N -0.91 0.07 0.17 3.99 1.13 -0.75 -1.15 117.35 119.90 3i9s s TYR 70 Ca 0.15 -0.43 -0.14 0.00 -1.41 0.00 0.00 57.07 55.24 3i9s s TYR 70 Cb -0.11 0.10 0.01 0.00 -1.10 0.00 0.00 41.96 40.87 3i9s s TYR 70 CO 0.05 -0.69 0.41 -0.08 -2.51 0.00 0.00 175.55 172.72 3i9s s THR 71 N -3.87 0.05 0.39 -3.49 -1.32 -0.32 -0.94 115.64 106.14 3i9s s THR 71 Ca 0.08 -1.00 0.08 0.00 -1.21 0.00 0.00 61.69 59.64 3i9s s THR 71 Cb 0.03 -1.62 -0.06 0.00 -1.51 0.00 0.00 72.50 69.34 3i9s s THR 71 CO -0.07 -0.23 0.11 -0.63 -2.21 0.00 0.00 174.62 171.58 3i9s s ILE 72 N -3.90 2.33 0.00 5.08 1.01 -1.26 -0.34 121.20 124.12 3i9s s ILE 72 Ca 0.11 -1.82 0.00 0.00 0.00 0.00 0.00 60.65 58.94 3i9s s ILE 72 Cb 0.01 -2.96 0.00 0.00 0.01 0.00 0.00 42.46 39.53 3i9s s ILE 72 CO -0.03 -0.05 0.00 0.49 0.00 0.00 0.00 174.94 175.35 3i9s n PHE 74 N -1.12 0.00 -2.09 3.97 3.01 -1.26 -4.89 117.46 115.08 3i9s n PHE 74 Ca -0.03 0.00 -0.28 0.00 1.01 0.00 0.00 57.45 58.16 3i9s n PHE 74 Cb 0.64 0.00 0.13 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 1.37 0.21 -1.08 0.04 -1.26 -5.07 135.00 127.21 3i9s s PRO 75 Ca 0.00 -0.39 -0.16 0.00 0.04 0.00 0.00 61.00 60.48 3i9s s PRO 75 Cb 0.00 -2.01 0.02 0.00 0.04 0.00 0.00 34.50 32.55 3i9s s PRO 75 CO 0.00 -1.87 0.52 0.00 0.04 0.00 0.00 177.00 175.69 3i9s s ALA 76 N -3.58 -0.74 0.70 8.56 0.00 -1.20 -4.85 121.76 120.64 3i9s s ALA 76 Ca 0.68 -0.43 -0.15 0.00 0.00 0.00 0.00 51.96 52.06 3i9s s ALA 76 Cb -0.07 0.90 0.02 0.00 0.00 0.00 0.00 23.12 23.97 3i9s s ALA 76 CO 0.49 -0.83 1.15 -2.14 0.00 0.00 0.00 175.76 174.43 3i9s s PRO 77 N -3.92 2.47 -1.19 0.00 0.02 -1.26 -3.60 135.00 127.51 3i9s s PRO 77 Ca 0.13 1.54 -0.05 0.00 0.02 0.00 0.00 61.00 62.64 3i9s s PRO 77 Cb -0.01 -1.90 0.01 0.00 0.02 0.00 0.00 34.50 32.62 3i9s s PRO 77 CO 0.01 -1.54 0.63 1.63 -0.33 0.00 0.00 177.00 177.40 3i9s n LYS 78 N -2.61 -4.66 -4.07 5.54 5.02 -1.26 -2.99 118.16 113.13 3i9s n LYS 78 Ca 0.12 0.71 -0.29 0.00 -2.02 0.00 0.00 58.31 56.82 3i9s n LYS 78 Cb 0.51 -5.20 -0.03 0.00 -0.02 0.00 0.00 35.03 30.29 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 -3.51 -1.95 -4.60 -0.35 4.77 -1.24 -4.94 117.00 105.18 3i9s n LEU 79 Ca -0.06 -1.03 -0.28 0.00 -0.03 0.00 0.00 56.01 54.61 3i9s n LEU 79 Cb 0.58 -2.13 -0.08 0.00 -2.33 0.00 0.00 43.42 39.46 3i9s n LEU 79 CO 0.42 0.39 -0.23 -0.94 -1.33 0.00 0.00 177.39 175.70 3i9s s SER 80 N -4.03 3.26 0.32 -1.43 1.04 -1.16 -5.04 113.70 106.66 3i9s s SER 80 Ca 0.24 -1.62 0.04 0.00 0.48 0.00 0.00 55.95 55.09 3i9s s SER 80 Cb -0.13 0.39 -0.02 0.00 0.10 0.00 0.00 66.02 66.36 3i9s s SER 80 CO 0.91 -0.84 0.47 -0.83 0.98 0.00 0.00 173.24 173.93 3i9s s GLY 81 N -3.69 1.40 0.00 7.32 0.00 0.20 -3.27 107.32 109.28 3i9s s GLY 81 Ca 0.20 -1.23 0.00 0.00 0.00 0.00 0.00 44.72 43.69 3i9s s GLY 81 CO 0.11 -1.17 0.00 -0.18 0.00 0.00 0.00 173.10 171.86 3i9s n GLN 82 N -1.64 3.52 -3.17 2.90 7.27 -1.26 -3.41 117.38 121.60 3i9s n GLN 82 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.03 3i9s n GLN 82 Cb 0.57 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.22 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 -0.01 0.00 0.00 3.69 4.19 0.53 -4.43 117.16 121.13 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 -3.85 2.98 3.00 -0.30 -1.17 118.16 118.82 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 -0.01 -0.14 0.00 0.00 0.00 0.00 35.03 34.88 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 -4.18 -0.02 -0.18 3.14 1.01 -1.21 -4.90 116.67 110.33 3i9s s ASP 87 Ca 0.00 0.06 -0.01 0.00 0.71 0.00 0.00 52.55 53.31 3i9s s ASP 87 Cb 0.00 0.04 0.00 0.00 1.01 0.00 0.00 42.92 43.98 3i9s s ASP 87 CO 0.00 -0.02 -0.13 -0.22 0.21 0.00 0.00 175.17 175.00 3i9s s LEU 88 N 0.13 2.51 -0.05 1.23 2.96 -1.26 -1.84 118.68 122.35 3i9s s LEU 88 Ca -0.01 -0.49 0.00 0.00 -0.22 0.00 0.00 54.13 53.41 3i9s s LEU 88 Cb -0.02 -1.59 0.02 0.00 0.50 0.00 0.00 46.19 45.11 3i9s s LEU 88 CO -0.00 0.03 -0.02 0.12 -1.32 0.00 0.00 176.35 175.16 3i9s s PHE 89 N 1.12 0.63 -0.09 5.38 5.36 -0.76 -5.02 117.98 124.60 3i9s s PHE 89 Ca 0.01 -0.15 0.04 0.00 -0.96 0.00 0.00 56.93 55.87 3i9s s PHE 89 Cb -0.14 -0.66 -0.01 0.00 -0.34 0.00 0.00 43.02 41.87 3i9s s PHE 89 CO -0.04 -0.23 -0.23 0.08 -1.46 0.00 0.00 175.22 173.34 3i9s s VAL 90 N 1.31 2.18 0.42 3.12 1.01 -1.26 -1.19 120.40 125.98 3i9s s VAL 90 Ca -0.05 -0.99 -0.26 0.00 0.00 0.00 0.00 61.98 60.67 3i9s s VAL 90 Cb -0.13 -1.82 -0.09 0.00 0.00 0.00 0.00 36.38 34.33 3i9s s VAL 90 CO -0.02 0.56 1.47 -0.55 0.00 0.00 0.00 175.10 176.56 3i9s s SER 91 N 0.15 6.05 0.55 3.32 0.15 -0.16 -4.90 113.70 118.86 3i9s s SER 91 Ca -0.13 3.01 0.23 0.00 0.70 0.00 0.00 55.95 59.77 3i9s s SER 91 Cb -0.16 -2.66 1.52 0.00 -1.71 0.00 0.00 66.02 63.00 3i9s s SER 91 CO 0.07 -1.07 2.17 0.77 1.20 0.00 0.00 173.24 176.38 3i9s h SER 92 N 2.60 0.00 1.17 5.45 4.64 -2.00 -1.52 113.55 123.88 3i9s h SER 92 Ca -0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 3i9s h SER 92 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 3i9s h SER 92 CO 0.62 0.03 0.00 0.77 -0.87 0.00 0.00 176.83 177.39 3i9s h SER 93 N 0.00 0.00 -0.53 4.97 4.64 -1.95 -3.04 113.55 117.64 3i9s h SER 93 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3i9s h SER 93 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 3i9s h SER 93 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 3i9s n ALA 94 N -1.85 3.61 -1.77 5.18 0.00 -0.57 -5.01 120.51 120.08 3i9s n ALA 94 Ca 0.03 -1.95 -0.36 0.00 0.00 0.00 0.00 53.44 51.16 3i9s n ALA 94 Cb 0.34 -1.03 -0.00 0.00 0.00 0.00 0.00 19.45 18.76 3i9s n ALA 94 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 3i9s s ARG 95 N -2.64 3.56 -0.86 0.00 1.70 -1.15 -3.06 118.95 116.50 3i9s s ARG 95 Ca 0.52 1.72 0.00 0.00 -0.47 0.00 0.00 55.73 57.50 3i9s s ARG 95 Cb 0.39 -2.22 0.00 0.00 -0.57 0.00 0.00 34.95 32.55 3i9s s ARG 95 CO 0.16 -0.71 0.00 0.41 -1.08 0.00 0.00 175.30 174.08 3i9s n GLY 96 N 0.34 0.97 0.93 3.88 0.00 -1.26 -4.86 105.19 105.18 3i9s n GLY 96 Ca 0.09 -0.40 0.11 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.26 2.14 -2.65 1.61 5.02 -1.17 -4.97 118.16 115.88 3i9s n LYS 97 Ca -0.08 -1.93 -0.16 0.00 -2.02 0.00 0.00 58.31 54.11 3i9s n LYS 97 Cb 0.33 -1.43 0.02 0.00 -0.02 0.00 0.00 35.03 33.92 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 1.26 -0.24 0.21 0.72 0.00 -1.26 -4.92 105.19 100.96 3i9s n GLY 98 Ca 0.14 -0.14 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.69 1.31 -0.07 -0.61 1.08 -1.93 -2.62 117.51 113.97 3i9s h ILE 99 Ca -0.39 -1.63 0.03 0.00 -0.39 0.00 0.00 64.86 62.47 3i9s h ILE 99 Cb 1.28 1.75 -0.03 0.00 -3.07 0.00 0.00 36.82 36.74 3i9s h ILE 99 CO 0.43 0.52 -0.09 1.23 -0.69 0.00 0.00 178.15 179.55 3i9s h GLY 100 N 0.44 -0.04 1.01 5.37 0.00 -1.95 0.85 103.07 108.75 3i9s h GLY 100 Ca 0.02 0.11 -0.03 0.00 0.00 0.00 0.00 47.33 47.42 3i9s h GLY 100 CO 0.10 -0.10 0.32 -2.00 0.00 0.00 0.00 176.54 174.86 3i9s h LEU 101 N -0.12 0.93 -0.28 3.11 5.85 -1.98 -2.94 115.31 119.87 3i9s h LEU 101 Ca 0.06 -0.14 0.02 0.00 0.84 0.00 0.00 57.88 58.65 3i9s h LEU 101 Cb 0.21 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 3i9s h LEU 101 CO -0.14 0.82 0.14 -0.61 -0.34 0.00 0.00 178.44 178.30 3i9s h GLN 102 N 0.98 0.29 -1.04 1.25 4.15 -1.01 -0.05 115.11 119.69 3i9s h GLN 102 Ca 0.24 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.64 3i9s h GLN 102 Cb 0.14 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 27.77 3i9s h GLN 102 CO -0.03 0.19 0.00 1.28 -1.93 0.00 0.00 178.83 178.34 3i9s n LEU 103 N -4.97 0.04 0.00 -2.39 4.77 0.24 -2.55 117.00 112.15 3i9s n LEU 103 Ca -0.01 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 3i9s n LEU 103 Cb 0.07 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 3i9s n LEU 103 CO 0.31 0.01 0.00 0.29 -1.33 0.00 0.00 177.39 176.67 3i9s n LYS 105 N 0.75 0.00 -0.25 3.23 5.02 -0.03 -1.77 118.16 125.11 3i9s n LYS 105 Ca 0.00 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.21 3i9s n LYS 105 Cb 0.01 0.00 0.04 0.00 -0.02 0.00 0.00 35.03 35.06 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 1.19 -0.23 2.13 3.86 -1.76 -1.87 115.15 118.47 3i9s h HIS 106 Ca 0.00 -0.16 -0.01 0.00 -1.16 0.00 0.00 60.37 59.05 3i9s h HIS 106 Cb 0.00 -0.33 -0.01 0.00 1.06 0.00 0.00 27.41 28.13 3i9s h HIS 106 CO 0.00 0.99 0.12 -0.07 0.86 0.00 0.00 177.93 179.82 3i9s h LEU 107 N 1.06 0.29 -1.07 2.43 3.38 -1.63 -0.96 115.31 118.80 3i9s h LEU 107 Ca 0.21 -0.10 0.05 0.00 0.09 0.00 0.00 57.88 58.13 3i9s h LEU 107 Cb 0.42 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.04 3i9s h LEU 107 CO 0.01 0.31 0.62 0.00 0.09 0.00 0.00 178.44 179.47 3i9s h ALA 108 N 0.99 1.43 -0.25 1.53 0.00 -1.81 0.60 119.26 121.75 3i9s h ALA 108 Ca 0.08 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 3i9s h ALA 108 Cb 0.09 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 3i9s h ALA 108 CO -0.01 0.45 -0.24 1.15 0.00 0.00 0.00 179.25 180.59 3i9s h THR 109 N 1.14 1.31 -0.69 0.00 2.02 -0.96 -2.02 112.91 113.72 3i9s h THR 109 Ca 0.40 -1.41 0.07 0.00 0.77 0.00 0.00 66.41 66.24 3i9s h THR 109 Cb 0.12 1.65 -0.06 0.00 -1.74 0.00 0.00 68.15 68.12 3i9s h THR 109 CO -0.14 0.44 0.37 0.40 0.37 0.00 0.00 175.52 176.96 3i9s h ILE 110 N 0.32 0.94 0.16 3.11 2.04 -0.85 -2.62 117.51 120.61 3i9s h ILE 110 Ca 0.04 -0.23 -0.00 0.00 1.00 0.00 0.00 64.86 65.67 3i9s h ILE 110 Cb 0.80 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 3i9s h ILE 110 CO 0.06 0.12 -0.13 0.00 0.00 0.00 0.00 178.15 178.20 3i9s h ALA 111 N 1.37 -0.28 0.00 1.87 0.00 -0.48 -2.30 119.26 119.44 3i9s h ALA 111 Ca 0.32 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3i9s h ALA 111 Cb 0.24 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3i9s h ALA 111 CO -0.21 -0.67 0.00 0.44 0.00 0.00 0.00 179.25 178.81 3i9s n ILE 112 N -5.25 0.62 1.11 0.00 -5.35 -0.80 -0.89 119.36 108.80 3i9s n ILE 112 Ca -0.08 -0.00 0.12 0.00 -0.27 0.00 0.00 62.75 62.52 3i9s n ILE 112 Cb 0.17 -0.81 0.17 0.00 -1.74 0.00 0.00 39.64 37.43 3i9s n ILE 112 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 3i9s n THR 113 N -2.03 0.00 -1.99 7.28 -2.24 -0.99 -4.17 114.28 110.13 3i9s n THR 113 Ca 0.04 -0.37 -0.05 0.00 -2.27 0.00 0.00 64.05 61.40 3i9s n THR 113 Cb 0.32 1.18 0.10 0.00 -2.10 0.00 0.00 70.33 69.83 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 0.67 1.10 -2.77 4.78 8.25 -0.89 -4.98 115.22 121.38 3i9s n HIS 114 Ca 0.14 -1.70 -0.21 0.00 -0.26 0.00 0.00 57.72 55.69 3i9s n HIS 114 Cb 0.51 -0.27 0.01 0.00 1.12 0.00 0.00 29.99 31.36 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 -0.72 -5.59 -4.77 0.41 5.15 -1.21 -4.72 115.26 103.81 3i9s n ASN 115 Ca 0.25 -0.15 -0.35 0.00 -0.60 0.00 0.00 54.58 53.74 3i9s n ASN 115 Cb 0.86 -4.59 -0.08 0.00 -0.53 0.00 0.00 39.78 35.44 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 1.77 1.43 -4.29 0.00 6.02 -1.22 -4.00 117.38 117.09 3i9s n GLN 117 Ca -0.17 -0.71 -0.19 0.00 -0.01 0.00 0.00 57.00 55.93 3i9s n GLN 117 Cb 0.54 -1.07 -0.13 0.00 1.02 0.00 0.00 30.24 30.60 3i9s n GLN 117 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3i9s s ARG 118 N -0.97 0.84 -0.18 -1.09 0.52 -1.26 -5.11 118.95 111.70 3i9s s ARG 118 Ca 0.08 -0.73 0.01 0.00 -0.52 0.00 0.00 55.73 54.56 3i9s s ARG 118 Cb 0.06 -0.82 0.03 0.00 0.52 0.00 0.00 34.95 34.75 3i9s s ARG 118 CO 0.16 0.20 -0.12 -1.17 0.02 0.00 0.00 175.30 174.39 3i9s s LEU 119 N -1.16 2.03 0.22 2.53 2.96 -1.26 -4.68 118.68 119.33 3i9s s LEU 119 Ca -0.00 -0.71 0.11 0.00 -0.22 0.00 0.00 54.13 53.31 3i9s s LEU 119 Cb -0.08 -1.22 -0.05 0.00 0.50 0.00 0.00 46.19 45.34 3i9s s LEU 119 CO 0.01 -0.10 -0.22 -1.81 -1.32 0.00 0.00 176.35 172.91 3i9s s ASP 120 N 1.43 3.43 0.16 3.68 1.01 -1.26 -5.00 116.67 120.12 3i9s s ASP 120 Ca 0.02 -0.93 -0.24 0.00 0.71 0.00 0.00 52.55 52.11 3i9s s ASP 120 Cb -0.15 -0.26 0.07 0.00 1.01 0.00 0.00 42.92 43.59 3i9s s ASP 120 CO -0.09 0.08 1.02 -1.66 0.21 0.00 0.00 175.17 174.73 3i9s s TRP 121 N -2.01 -0.02 0.23 4.23 -2.14 -1.26 -4.18 118.94 113.80 3i9s s TRP 121 Ca 0.24 -0.33 0.11 0.00 2.66 0.00 0.00 56.10 58.78 3i9s s TRP 121 Cb -0.07 0.67 -0.05 0.00 -3.10 0.00 0.00 33.47 30.93 3i9s s TRP 121 CO 0.11 -0.85 -0.20 0.95 -2.66 0.00 0.00 176.95 174.30 3i9s s THR 122 N -2.64 2.53 0.30 0.66 -4.23 -1.26 -5.09 115.64 105.90 3i9s s THR 122 Ca 0.17 -2.17 0.03 0.00 -1.18 0.00 0.00 61.69 58.54 3i9s s THR 122 Cb -0.02 -2.27 -0.05 0.00 1.34 0.00 0.00 72.50 71.50 3i9s s THR 122 CO 0.04 -0.25 0.09 0.00 -0.54 0.00 0.00 174.62 173.95 3i9s s ALA 123 N -2.08 2.07 -0.14 3.99 0.00 -1.26 -5.05 121.76 119.29 3i9s s ALA 123 Ca 0.26 -1.90 -0.10 0.00 0.00 0.00 0.00 51.96 50.22 3i9s s ALA 123 Cb -0.07 0.88 -0.05 0.00 0.00 0.00 0.00 23.12 23.89 3i9s s ALA 123 CO 0.13 -0.39 0.18 -1.21 0.00 0.00 0.00 175.76 174.47 3i9s s GLU 124 N -3.94 3.87 0.44 0.00 0.41 -1.26 -4.98 118.70 113.23 3i9s s GLU 124 Ca 0.36 -0.08 0.13 0.00 -0.41 0.00 0.00 54.97 54.98 3i9s s GLU 124 Cb 0.08 -3.31 0.96 0.00 -1.78 0.00 0.00 34.13 30.08 3i9s s GLU 124 CO 0.15 0.52 1.99 0.66 -0.49 0.00 0.00 175.26 178.08 3i9s h SER 125 N 5.81 0.07 0.24 -0.19 4.64 -2.01 -0.52 113.55 121.59 3i9s h SER 125 Ca -0.48 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3i9s h SER 125 Cb 1.19 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 3i9s h SER 125 CO 0.67 0.22 0.00 0.35 -0.87 0.00 0.00 176.83 177.21 3i9s n THR 126 N -4.33 0.62 -3.09 2.95 -2.24 -1.26 -3.59 114.28 103.33 3i9s n THR 126 Ca -0.02 0.15 -0.25 0.00 -2.27 0.00 0.00 64.05 61.66 3i9s n THR 126 Cb 0.23 -0.94 -0.05 0.00 -2.10 0.00 0.00 70.33 67.48 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 -1.27 3.52 -0.36 3.42 4.05 -0.20 -4.94 115.26 119.47 3i9s n ASN 127 Ca 0.06 -3.48 0.35 0.00 0.45 0.00 0.00 54.58 51.97 3i9s n ASN 127 Cb 0.10 -0.60 0.72 0.00 1.23 0.00 0.00 39.78 41.24 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 3.27 0.06 -0.44 1.20 0.11 -1.71 -0.10 132.00 134.39 3i9s h PRO 128 Ca 0.14 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.19 3i9s h PRO 128 Cb 0.63 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.71 3i9s h PRO 128 CO 0.75 0.04 0.06 0.00 -0.21 0.00 0.00 178.00 178.63 3i9s h THR 129 N 0.06 1.21 -0.34 -1.15 1.03 -1.92 -1.91 112.91 109.89 3i9s h THR 129 Ca 0.61 -0.81 -0.04 0.00 -0.01 0.00 0.00 66.41 66.15 3i9s h THR 129 Cb 2.29 0.82 -0.01 0.00 -1.07 0.00 0.00 68.15 70.18 3i9s h THR 129 CO -0.06 0.29 0.04 0.00 -0.01 0.00 0.00 175.52 175.78 3i9s h ALA 130 N 1.42 0.46 -0.54 0.00 0.00 -1.35 -1.34 119.26 117.90 3i9s h ALA 130 Ca 0.14 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 54.89 3i9s h ALA 130 Cb 0.32 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 3i9s h ALA 130 CO 0.01 0.18 0.26 0.78 0.00 0.00 0.00 179.25 180.48 3i9s h GLY 131 N 0.41 0.76 0.92 0.00 0.00 -1.47 -0.40 103.07 103.29 3i9s h GLY 131 Ca 0.10 -0.18 -0.04 0.00 0.00 0.00 0.00 47.33 47.22 3i9s h GLY 131 CO 0.01 0.10 0.07 0.50 0.00 0.00 0.00 176.54 177.22 3i9s h LYS 132 N 0.51 0.59 0.05 4.80 1.57 -1.24 -1.20 116.57 121.64 3i9s h LYS 132 Ca 0.24 -0.15 0.03 0.00 -1.87 0.00 0.00 60.65 58.90 3i9s h LYS 132 Cb 0.17 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.37 3i9s h LYS 132 CO -0.18 0.65 -0.27 0.35 -0.57 0.00 0.00 179.45 179.43 3i9s h PHE 133 N 0.44 -0.72 -0.45 -1.35 3.57 -0.85 0.59 116.94 118.17 3i9s h PHE 133 Ca 0.11 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.67 3i9s h PHE 133 Cb 0.34 0.31 -0.04 0.00 2.79 0.00 0.00 35.95 39.35 3i9s h PHE 133 CO 0.02 -0.36 0.23 1.88 -2.23 0.00 0.00 178.31 177.84 3i9s h TYR 134 N -0.44 0.42 -0.18 0.41 0.05 -0.95 -1.63 116.97 114.65 3i9s h TYR 134 Ca 0.05 0.02 -0.06 0.00 0.05 0.00 0.00 58.73 58.79 3i9s h TYR 134 Cb 0.50 -0.12 -0.01 0.00 1.01 0.00 0.00 36.73 38.10 3i9s h TYR 134 CO -0.28 0.22 -0.16 0.87 -1.05 0.00 0.00 178.16 177.76 3i9s h LYS 135 N 0.46 0.29 0.00 4.88 1.79 -1.01 -1.31 116.57 121.66 3i9s h LYS 135 Ca 0.19 -0.08 -0.08 0.00 -2.18 0.00 0.00 60.65 58.50 3i9s h LYS 135 Cb 0.09 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.69 3i9s h LYS 135 CO -0.13 0.45 -0.39 0.66 -1.08 0.00 0.00 179.45 178.96 3i9s h SER 136 N 0.27 0.00 -0.06 0.86 4.64 0.06 -1.47 113.55 117.85 3i9s h SER 136 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3i9s h SER 136 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 3i9s h SER 136 CO 0.03 0.39 0.00 2.30 -0.87 0.00 0.00 176.83 178.68 3i9s n ILE 137 N -3.98 0.07 0.00 0.95 -5.35 -0.90 -4.91 119.36 105.24 3i9s n ILE 137 Ca -0.02 -0.27 0.00 0.00 -0.27 0.00 0.00 62.75 62.19 3i9s n ILE 137 Cb 0.43 0.42 0.00 0.00 -1.74 0.00 0.00 39.64 38.76 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 1.15 1.06 3.78 3.28 0.00 -0.55 -5.09 105.19 108.82 3i9s n GLY 138 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 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 2.85 -0.10 4.61 0.00 -0.52 -5.00 121.76 121.59 3i9s s ALA 139 Ca 0.00 0.73 -0.06 0.00 0.00 0.00 0.00 51.96 52.62 3i9s s ALA 139 Cb 0.00 -3.31 -0.04 0.00 0.00 0.00 0.00 23.12 19.77 3i9s s ALA 139 CO 0.00 -0.49 0.15 -1.12 0.00 0.00 0.00 175.76 174.30 3i9s s SER 140 N -1.79 6.39 -0.18 0.00 0.01 -1.26 -4.43 113.70 112.43 3i9s s SER 140 Ca 0.68 0.46 -0.21 0.00 1.31 0.00 0.00 55.95 58.18 3i9s s SER 140 Cb -0.21 -2.06 -0.03 0.00 0.21 0.00 0.00 66.02 63.93 3i9s s SER 140 CO 0.25 0.39 0.62 -0.22 0.41 0.00 0.00 173.24 174.69 3i9s s LEU 141 N -1.16 4.16 -0.82 2.44 2.96 -1.26 -5.02 118.68 119.98 3i9s s LEU 141 Ca 0.17 0.86 -0.16 0.00 -0.22 0.00 0.00 54.13 54.78 3i9s s LEU 141 Cb -0.12 -2.89 0.18 0.00 0.50 0.00 0.00 46.19 43.86 3i9s s LEU 141 CO 0.06 -0.24 0.85 -0.63 -1.32 0.00 0.00 176.35 175.06 3i9s s ILE 142 N 1.75 5.29 -0.09 6.68 -1.09 -1.26 -4.90 121.20 127.57 3i9s s ILE 142 Ca 0.29 -2.05 0.30 0.00 -2.23 0.00 0.00 60.65 56.97 3i9s s ILE 142 Cb -0.16 -4.55 0.35 0.00 -1.58 0.00 0.00 42.46 36.52 3i9s s ILE 142 CO 0.11 -1.16 1.90 0.03 -1.23 0.00 0.00 174.94 174.59 3i9s h ARG 143 N 8.25 0.00 0.00 2.79 3.08 -2.07 -2.92 114.38 123.51 3i9s h ARG 143 Ca 0.06 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.03 3i9s h ARG 143 Cb 1.04 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.08 3i9s h ARG 143 CO 0.89 0.00 -0.40 0.93 -1.07 0.00 0.00 179.97 180.33 3i9s h GLU 144 N 0.00 0.00 -6.66 0.04 3.07 -2.05 -3.45 114.58 105.53 3i9s h GLU 144 Ca 0.00 0.00 -0.53 0.00 -0.50 0.00 0.00 59.36 58.33 3i9s h GLU 144 Cb 0.48 0.00 0.04 0.00 -0.84 0.00 0.00 28.75 28.43 3i9s h GLU 144 CO 0.00 0.40 0.77 0.15 -1.40 0.00 0.00 179.01 178.92 3i9s s LYS 145 N -3.31 4.28 -0.12 2.33 -0.14 -1.10 -5.02 119.74 116.66 3i9s s LYS 145 Ca 0.02 2.23 0.01 0.00 -1.36 0.00 0.00 55.97 56.88 3i9s s LYS 145 Cb 0.09 -3.16 -0.01 0.00 -1.68 0.00 0.00 37.83 33.07 3i9s s LYS 145 CO 0.70 -0.44 -0.17 -1.21 -0.76 0.00 0.00 175.35 173.47 3i9s s GLU 146 N 0.35 3.26 -0.27 1.68 2.02 -1.26 -5.09 118.70 119.39 3i9s s GLU 146 Ca 0.63 -0.76 -0.10 0.00 0.02 0.00 0.00 54.97 54.75 3i9s s GLU 146 Cb -0.40 -2.51 -0.05 0.00 0.10 0.00 0.00 34.13 31.27 3i9s s GLU 146 CO 0.37 0.19 0.17 -0.47 0.02 0.00 0.00 175.26 175.54 3i9s s TYR 147 N 0.36 3.21 0.26 1.61 6.14 -1.26 -5.08 117.35 122.58 3i9s s TYR 147 Ca -0.14 0.04 0.10 0.00 0.64 0.00 0.00 57.07 57.71 3i9s s TYR 147 Cb -0.17 -2.34 -0.04 0.00 0.42 0.00 0.00 41.96 39.83 3i9s s TYR 147 CO 0.07 -0.17 -0.08 0.71 0.64 0.00 0.00 175.55 176.72 3i9s s TYR 148 N 1.66 2.57 -0.21 4.97 1.51 -1.26 -5.14 117.35 121.45 3i9s s TYR 148 Ca 0.07 -0.25 -0.20 0.00 -1.01 0.00 0.00 57.07 55.68 3i9s s TYR 148 Cb -0.16 -1.15 0.06 0.00 -0.11 0.00 0.00 41.96 40.60 3i9s s TYR 148 CO 0.09 0.63 0.57 0.50 -1.11 0.00 0.00 175.55 176.23 3i9s s ARG 149 N -3.48 0.67 -0.02 -0.62 3.52 -1.26 -5.13 118.95 112.62 3i9s s ARG 149 Ca 0.30 0.78 0.02 0.00 -0.13 0.00 0.00 55.73 56.70 3i9s s ARG 149 Cb -0.06 0.33 -0.03 0.00 -1.56 0.00 0.00 34.95 33.62 3i9s s ARG 149 CO 0.18 -0.08 -0.06 -0.06 -0.81 0.00 0.00 175.30 174.46 3i9s s PHE 150 N 0.27 2.91 0.24 5.12 0.08 -1.26 -5.07 117.98 120.27 3i9s s PHE 150 Ca -0.00 -0.01 -0.10 0.00 0.12 0.00 0.00 56.93 56.93 3i9s s PHE 150 Cb -0.04 -1.64 -0.01 0.00 -0.57 0.00 0.00 43.02 40.76 3i9s s PHE 150 CO 0.01 0.37 0.41 -1.83 -0.10 0.00 0.00 175.22 174.07 3i9s s GLU 151 N -1.25 1.47 0.00 0.44 -1.05 -1.26 -4.78 118.70 112.26 3i9s s GLU 151 Ca 0.16 -1.32 0.00 0.00 -0.15 0.00 0.00 54.97 53.66 3i9s s GLU 151 Cb -0.11 0.43 0.00 0.00 -0.44 0.00 0.00 34.13 34.01 3i9s s GLU 151 CO 0.06 -0.59 0.00 0.41 0.95 0.00 0.00 175.26 176.09 3i9s n GLY 152 N -0.36 1.88 0.31 -3.83 0.00 -1.26 -1.54 105.19 100.40 3i9s n GLY 152 Ca -0.01 0.21 -0.04 0.00 0.00 0.00 0.00 46.02 46.18 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 0.93 -0.74 1.61 -0.26 -1.99 -1.55 115.58 113.58 3i9s h ASN 153 Ca 0.00 -0.03 0.03 0.00 -0.56 0.00 0.00 56.30 55.73 3i9s h ASN 153 Cb 0.00 -0.23 -0.04 0.00 -1.06 0.00 0.00 38.32 36.99 3i9s h ASN 153 CO 0.00 0.68 0.49 1.23 -1.06 0.00 0.00 177.43 178.77 3i9s h GLY 154 N 1.09 1.03 1.01 2.83 0.00 -1.69 0.20 103.07 107.53 3i9s h GLY 154 Ca 0.29 -0.36 -0.08 0.00 0.00 0.00 0.00 47.33 47.18 3i9s h GLY 154 CO -0.06 0.33 0.02 -2.00 0.00 0.00 0.00 176.54 174.83 3i9s h LEU 155 N 0.93 0.87 -0.50 3.11 5.85 -0.65 -1.10 115.31 123.81 3i9s h LEU 155 Ca 0.29 -0.30 -0.11 0.00 0.84 0.00 0.00 57.88 58.60 3i9s h LEU 155 Cb 0.00 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.79 3i9s h LEU 155 CO -0.08 0.95 -0.11 0.78 -0.34 0.00 0.00 178.44 179.65 3i9s h ASN 156 N 0.76 0.97 -0.27 1.25 2.35 -0.48 -1.71 115.58 118.45 3i9s h ASN 156 Ca 0.15 -0.36 -0.00 0.00 -0.55 0.00 0.00 56.30 55.54 3i9s h ASN 156 Cb 0.49 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.59 3i9s h ASN 156 CO 0.02 1.10 0.15 0.11 -1.65 0.00 0.00 177.43 177.16 3i9s h LYS 157 N 0.82 0.38 -0.82 0.81 1.57 -0.54 -0.73 116.57 118.06 3i9s h LYS 157 Ca 0.13 -0.04 0.08 0.00 -1.87 0.00 0.00 60.65 58.95 3i9s h LYS 157 Cb 0.67 -0.08 -0.07 0.00 0.08 0.00 0.00 32.23 32.83 3i9s h LYS 157 CO 0.05 0.32 0.48 1.25 -0.57 0.00 0.00 179.45 180.98 3i9s h LEU 158 N 0.33 0.72 -0.56 2.94 5.85 -1.08 -2.00 115.31 121.51 3i9s h LEU 158 Ca 0.10 0.04 -0.16 0.00 0.84 0.00 0.00 57.88 58.69 3i9s h LEU 158 Cb 0.05 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 3i9s h LEU 158 CO -0.02 0.43 -0.60 0.00 -0.34 0.00 0.00 178.44 177.92 3i9s h ALA 159 N 1.43 0.75 -1.62 1.25 0.00 -0.97 -3.38 119.26 116.72 3i9s h ALA 159 Ca 0.38 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3i9s h ALA 159 Cb 0.28 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3i9s h ALA 159 CO -0.22 0.71 0.00 1.17 0.00 0.00 0.00 179.25 180.92 3i9s n LYS 160 N -3.91 0.00 0.00 0.00 4.81 -0.31 -5.10 118.16 113.65 3i9s n LYS 160 Ca -0.03 0.23 0.00 0.00 -0.87 0.00 0.00 58.31 57.64 3i9s n LYS 160 Cb 0.62 -0.72 0.00 0.00 0.02 0.00 0.00 35.03 34.95 3i9s n LYS 160 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44