#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i9s s ILE 6 N 0.00 2.94 0.69 3.15 -4.36 -1.26 -4.96 121.20 117.40 1i9s s ILE 6 Ca 0.00 0.53 -0.16 0.00 -0.26 0.00 0.00 60.65 60.75 1i9s s ILE 6 Cb 0.00 -3.13 0.01 0.00 1.25 0.00 0.00 42.46 40.59 1i9s s ILE 6 CO 0.00 -0.18 1.23 -2.84 0.24 0.00 0.00 174.94 173.39 1i9s s PRO 7 N -3.60 2.39 0.39 0.37 0.02 -1.26 -4.96 135.00 128.35 1i9s s PRO 7 Ca 0.73 1.85 -0.24 0.00 0.02 0.00 0.00 61.00 63.35 1i9s s PRO 7 Cb -0.25 -1.85 -0.09 0.00 0.02 0.00 0.00 34.50 32.33 1i9s s PRO 7 CO 0.35 -1.66 1.07 -1.25 -0.33 0.00 0.00 177.00 175.17 1i9s s PRO 8 N -3.68 4.18 -1.38 5.54 0.04 -1.26 -3.11 135.00 135.34 1i9s s PRO 8 Ca 0.77 1.57 0.00 0.00 0.04 0.00 0.00 61.00 63.38 1i9s s PRO 8 Cb -0.31 -2.60 0.00 0.00 0.04 0.00 0.00 34.50 31.63 1i9s s PRO 8 CO 0.42 -0.14 0.00 0.54 0.04 0.00 0.00 177.00 177.86 1i9s n ARG 9 N 0.03 -0.96 -0.03 4.56 1.74 -1.26 -4.87 116.66 115.87 1i9s n ARG 9 Ca 0.05 0.95 -0.19 0.00 -0.77 0.00 0.00 57.85 57.89 1i9s n ARG 9 Cb 0.49 -5.02 -0.14 0.00 -1.02 0.00 0.00 32.46 26.77 1i9s n ARG 9 CO 0.00 0.00 0.00 1.87 -1.52 0.00 0.00 177.63 177.98 1i9s n TRP 10 N -2.60 0.89 -0.20 -1.55 -0.00 -1.18 -4.09 117.44 108.72 1i9s n TRP 10 Ca -0.13 0.21 0.10 0.00 -0.00 0.00 0.00 57.50 57.68 1i9s n TRP 10 Cb 0.44 -1.12 0.40 0.00 -0.00 0.00 0.00 31.31 31.03 1i9s n TRP 10 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 177.69 177.62 1i9s h LEU 11 N 0.04 0.59 -0.25 5.87 3.38 -1.89 -2.22 115.31 120.83 1i9s h LEU 11 Ca -0.45 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.54 1i9s h LEU 11 Cb 2.01 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.66 1i9s h LEU 11 CO 0.04 0.34 -0.46 0.59 0.09 0.00 0.00 178.44 179.04 1i9s n ASN 12 N -4.51 0.84 -4.71 -0.43 4.13 -1.26 -4.93 115.26 104.39 1i9s n ASN 12 Ca 0.14 -0.64 -0.42 0.00 1.68 0.00 0.00 54.58 55.34 1i9s n ASN 12 Cb 0.38 0.30 -0.03 0.00 -1.54 0.00 0.00 39.78 38.88 1i9s n ASN 12 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1i9s n PRO 14 N 3.77 2.06 -0.17 0.00 -0.02 -1.26 -4.91 135.00 134.47 1i9s n PRO 14 Ca 0.05 0.73 -0.07 0.00 -2.02 0.00 0.00 63.50 62.20 1i9s n PRO 14 Cb 0.51 -2.47 0.09 0.00 -0.02 0.00 0.00 33.50 31.61 1i9s n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1i9s h ARG 15 N 2.19 0.95 -3.95 -0.52 3.08 -1.95 -3.40 114.38 110.79 1i9s h ARG 15 Ca -0.49 -0.28 -0.13 0.00 0.07 0.00 0.00 59.98 59.16 1i9s h ARG 15 Cb 1.28 -0.10 -0.17 0.00 0.08 0.00 0.00 29.97 31.07 1i9s h ARG 15 CO 0.60 0.93 -0.57 -0.98 -1.07 0.00 0.00 179.97 178.88 1i9s s ARG 16 N -5.02 0.59 0.63 0.04 1.70 -1.26 -2.26 118.95 113.36 1i9s s ARG 16 Ca -0.11 -0.89 0.06 0.00 -0.47 0.00 0.00 55.73 54.32 1i9s s ARG 16 Cb 0.14 0.22 0.11 0.00 -0.57 0.00 0.00 34.95 34.86 1i9s s ARG 16 CO 0.84 -0.14 0.87 0.41 -1.08 0.00 0.00 175.30 176.20 1i9s n GLY 17 N 0.60 1.42 3.83 3.88 0.00 -0.07 -4.99 105.19 109.86 1i9s n GLY 17 Ca -0.18 -2.15 -0.31 0.00 0.00 0.00 0.00 46.02 43.38 1i9s n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1i9s s GLN 18 N -4.78 3.14 0.47 1.61 -0.21 -0.07 -4.64 119.66 115.18 1i9s s GLN 18 Ca 0.62 0.95 -0.23 0.00 0.02 0.00 0.00 55.36 56.72 1i9s s GLN 18 Cb -0.04 -2.02 -0.07 0.00 1.00 0.00 0.00 33.01 31.88 1i9s s GLN 18 CO 0.40 -0.94 1.23 -1.25 -2.12 0.00 0.00 175.29 172.61 1i9s s PRO 19 N -4.91 3.64 -0.17 2.91 0.04 -1.26 -4.53 135.00 130.72 1i9s s PRO 19 Ca 0.58 1.95 -0.03 0.00 0.04 0.00 0.00 61.00 63.54 1i9s s PRO 19 Cb -0.14 -2.43 -0.02 0.00 0.04 0.00 0.00 34.50 31.95 1i9s s PRO 19 CO 0.52 -0.70 -0.05 0.08 0.04 0.00 0.00 177.00 176.89 1i9s s VAL 20 N -1.44 3.67 -1.58 -0.36 1.01 0.66 -4.58 120.40 117.78 1i9s s VAL 20 Ca 0.64 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 62.20 1i9s s VAL 20 Cb -0.33 -2.62 0.00 0.00 0.00 0.00 0.00 36.38 33.43 1i9s s VAL 20 CO 0.40 0.48 0.00 0.00 0.00 0.00 0.00 175.10 175.98 1i9s n ALA 21 N 3.83 -0.57 -1.42 5.51 0.00 -1.26 -1.82 120.51 124.79 1i9s n ALA 21 Ca -0.18 0.18 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 1i9s n ALA 21 Cb 0.52 -1.86 -0.06 0.00 0.00 0.00 0.00 19.45 18.05 1i9s n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i9s n GLY 22 N -0.76 1.40 0.00 0.00 0.00 -1.26 -4.78 105.19 99.79 1i9s n GLY 22 Ca -0.20 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1i9s n GLY 22 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1i9s n ARG 23 N -1.69 0.15 -4.36 1.61 0.63 -0.75 -4.91 116.66 107.33 1i9s n ARG 23 Ca -0.14 0.00 -0.34 0.00 -0.92 0.00 0.00 57.85 56.44 1i9s n ARG 23 Cb 0.58 -0.64 -0.10 0.00 0.45 0.00 0.00 32.46 32.75 1i9s n ARG 23 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 1i9s s PHE 24 N -1.28 3.11 -0.36 -0.14 0.08 -0.80 -0.12 117.98 118.48 1i9s s PHE 24 Ca 0.00 0.00 -0.04 0.00 0.12 0.00 0.00 56.93 57.01 1i9s s PHE 24 Cb 0.00 -1.87 0.07 0.00 -0.57 0.00 0.00 43.02 40.65 1i9s s PHE 24 CO 0.00 0.25 0.12 -1.17 -0.10 0.00 0.00 175.22 174.33 1i9s s LEU 25 N -0.31 4.61 0.12 -0.37 2.96 0.23 -0.24 118.68 125.67 1i9s s LEU 25 Ca 0.06 -1.54 -0.30 0.00 -0.22 0.00 0.00 54.13 52.13 1i9s s LEU 25 Cb -0.12 -1.82 -0.06 0.00 0.50 0.00 0.00 46.19 44.68 1i9s s LEU 25 CO 0.02 -0.41 1.10 -2.16 -1.32 0.00 0.00 176.35 173.58 1i9s s PRO 26 N 1.27 4.56 0.07 0.98 0.04 -1.26 -1.71 135.00 138.95 1i9s s PRO 26 Ca 0.01 1.67 0.02 0.00 0.04 0.00 0.00 61.00 62.74 1i9s s PRO 26 Cb -0.21 -3.33 -0.03 0.00 0.04 0.00 0.00 34.50 30.97 1i9s s PRO 26 CO -0.01 -0.01 -0.07 -0.51 0.04 0.00 0.00 177.00 176.44 1i9s s LEU 27 N 0.19 2.39 0.74 -3.56 1.43 -0.54 -0.89 118.68 118.44 1i9s s LEU 27 Ca 0.52 -0.78 -0.10 0.00 -1.03 0.00 0.00 54.13 52.74 1i9s s LEU 27 Cb -0.28 -0.09 0.05 0.00 0.03 0.00 0.00 46.19 45.91 1i9s s LEU 27 CO 0.32 -0.35 1.09 -1.59 0.23 0.00 0.00 176.35 176.05 1i9s s LYS 28 N -2.75 2.31 0.38 1.70 -2.85 -0.96 -3.60 119.74 113.98 1i9s s LYS 28 Ca 0.01 0.07 -0.27 0.00 -1.00 0.00 0.00 55.97 54.78 1i9s s LYS 28 Cb -0.02 -2.06 -0.09 0.00 -2.06 0.00 0.00 37.83 33.60 1i9s s LYS 28 CO -0.03 -1.29 1.33 -0.08 0.10 0.00 0.00 175.35 175.39 1i9s s THR 29 N -3.38 2.55 0.78 3.79 -1.32 -0.66 -4.88 115.64 112.51 1i9s s THR 29 Ca 0.60 0.51 -0.11 0.00 -1.21 0.00 0.00 61.69 61.48 1i9s s THR 29 Cb -0.11 -3.31 0.06 0.00 -1.51 0.00 0.00 72.50 67.63 1i9s s THR 29 CO 0.48 0.09 1.09 -0.04 -2.21 0.00 0.00 174.62 174.03 1i9s s MET 30 N -2.11 2.23 -0.10 7.08 1.00 -1.26 -5.01 119.30 121.12 1i9s s MET 30 Ca 0.54 1.09 -0.00 0.00 0.00 0.00 0.00 55.69 57.32 1i9s s MET 30 Cb -0.40 -1.90 0.02 0.00 0.00 0.00 0.00 34.83 32.56 1i9s s MET 30 CO 0.52 -1.64 -0.06 -0.51 0.00 0.00 0.00 175.02 173.33 1i9s s LEU 31 N -5.90 1.11 1.11 -0.03 1.43 -0.60 -4.43 118.68 111.36 1i9s s LEU 31 Ca 0.61 -0.26 -0.18 0.00 -1.03 0.00 0.00 54.13 53.27 1i9s s LEU 31 Cb -0.17 -0.75 0.25 0.00 0.03 0.00 0.00 46.19 45.55 1i9s s LEU 31 CO 0.56 -0.12 1.19 -0.83 0.23 0.00 0.00 176.35 177.38 1i9s s GLY 32 N 1.66 1.66 0.63 -3.19 0.00 -0.10 -3.65 107.32 104.33 1i9s s GLY 32 Ca 0.03 -1.03 0.28 0.00 0.00 0.00 0.00 44.72 44.00 1i9s s GLY 32 CO -0.07 -0.20 1.86 -2.55 0.00 0.00 0.00 173.10 172.15 1i9s h PRO 33 N -2.21 0.00 -0.26 2.90 0.11 -1.97 -1.15 132.00 129.43 1i9s h PRO 33 Ca -0.45 0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.74 1i9s h PRO 33 Cb 1.27 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 1i9s h PRO 33 CO 0.36 0.00 0.24 0.07 -0.21 0.00 0.00 178.00 178.46 1i9s h ARG 34 N 0.00 0.00 -0.62 1.05 0.11 -1.92 -0.44 114.38 112.56 1i9s h ARG 34 Ca 0.09 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.17 1i9s h ARG 34 Cb 0.96 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.04 1i9s h ARG 34 CO -0.00 0.00 0.00 0.66 0.10 0.00 0.00 179.97 180.73 1i9s n TYR 35 N -3.99 0.82 0.29 4.08 4.01 -0.43 -4.58 117.16 117.37 1i9s n TYR 35 Ca 0.03 -0.41 0.15 0.00 -0.16 0.00 0.00 57.90 57.51 1i9s n TYR 35 Cb 0.39 0.00 0.90 0.00 -0.31 0.00 0.00 39.34 40.32 1i9s n TYR 35 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 1i9s h ASP 36 N 4.01 0.00 1.17 7.72 3.32 -1.23 0.50 116.42 131.91 1i9s h ASP 36 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1i9s h ASP 36 Cb 0.91 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.46 1i9s h ASP 36 CO 0.00 0.02 0.00 0.77 -1.72 0.00 0.00 179.24 178.31 1i9s h SER 37 N 0.00 0.00 -0.01 6.45 4.64 -1.81 -3.06 113.55 119.76 1i9s h SER 37 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1i9s h SER 37 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1i9s h SER 37 CO 0.00 0.00 -0.70 0.00 -0.87 0.00 0.00 176.83 175.26 1i9s n GLN 38 N -2.65 1.08 -3.91 4.77 6.02 0.13 -4.93 117.38 117.88 1i9s n GLN 38 Ca 0.03 -0.35 -0.28 0.00 -0.01 0.00 0.00 57.00 56.38 1i9s n GLN 38 Cb 0.34 -1.38 -0.17 0.00 1.02 0.00 0.00 30.24 30.05 1i9s n GLN 38 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1i9s s VAL 39 N -2.55 1.15 0.65 5.09 1.01 -0.97 -5.03 120.40 119.75 1i9s s VAL 39 Ca 0.11 -0.57 -0.18 0.00 0.00 0.00 0.00 61.98 61.33 1i9s s VAL 39 Cb 0.15 -1.27 -0.01 0.00 0.00 0.00 0.00 36.38 35.25 1i9s s VAL 39 CO 0.66 0.21 1.28 0.00 0.00 0.00 0.00 175.10 177.25 1i9s s ALA 40 N 1.63 2.38 0.26 5.51 0.00 -1.26 -4.75 121.76 125.52 1i9s s ALA 40 Ca 0.02 1.18 -0.03 0.00 0.00 0.00 0.00 51.96 53.13 1i9s s ALA 40 Cb -0.14 -3.54 0.52 0.00 0.00 0.00 0.00 23.12 19.96 1i9s s ALA 40 CO -0.08 -1.56 1.68 1.49 0.00 0.00 0.00 175.76 177.29 1i9s h GLU 41 N 0.55 0.28 0.00 0.00 4.22 -1.99 -0.29 114.58 117.34 1i9s h GLU 41 Ca -0.51 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 58.92 1i9s h GLU 41 Cb 1.33 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.52 1i9s h GLU 41 CO 0.53 0.19 0.00 1.05 -2.18 0.00 0.00 179.01 178.60 1i9s h GLU 42 N 0.29 0.00 -0.28 1.92 9.09 -2.04 -2.50 114.58 121.07 1i9s h GLU 42 Ca 0.45 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.86 1i9s h GLU 42 Cb 0.79 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.89 1i9s h GLU 42 CO -0.53 0.00 0.00 0.09 0.05 0.00 0.00 179.01 178.62 1i9s n ASN 43 N -2.96 3.00 -4.80 3.06 3.02 -0.13 -5.01 115.26 111.44 1i9s n ASN 43 Ca -0.01 -1.88 -0.33 0.00 -0.03 0.00 0.00 54.58 52.33 1i9s n ASN 43 Cb 0.15 -0.18 0.02 0.00 -0.61 0.00 0.00 39.78 39.16 1i9s n ASN 43 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1i9s s ARG 44 N -1.30 3.26 -0.42 3.52 0.52 -0.94 -4.93 118.95 118.66 1i9s s ARG 44 Ca 0.29 1.21 0.08 0.00 -0.52 0.00 0.00 55.73 56.79 1i9s s ARG 44 Cb 0.18 -2.02 0.27 0.00 0.52 0.00 0.00 34.95 33.89 1i9s s ARG 44 CO 0.25 -0.86 0.71 0.34 0.02 0.00 0.00 175.30 175.76 1i9s n PHE 45 N -2.11 -1.40 -1.84 -0.53 7.35 -1.26 -5.08 117.46 112.58 1i9s n PHE 45 Ca 0.09 -2.93 -0.32 0.00 -0.76 0.00 0.00 57.45 53.52 1i9s n PHE 45 Cb 0.53 0.38 0.03 0.00 0.35 0.00 0.00 39.48 40.77 1i9s n PHE 45 CO 0.00 0.00 0.00 -1.01 -0.76 0.00 0.00 176.76 174.99 1i9s s HIS 46 N -0.66 2.98 0.36 -5.13 3.76 -1.24 -1.55 115.29 113.80 1i9s s HIS 46 Ca 0.34 1.49 0.11 0.00 -0.15 0.00 0.00 55.06 56.84 1i9s s HIS 46 Cb 0.22 -2.98 0.88 0.00 1.11 0.00 0.00 32.58 31.81 1i9s s HIS 46 CO -0.14 -1.22 1.82 -1.35 -0.85 0.00 0.00 174.74 173.00 1i9s h PRO 47 N -0.03 0.60 -0.66 8.40 0.11 -1.95 -0.08 132.00 138.40 1i9s h PRO 47 Ca -0.46 -0.04 0.14 0.00 0.11 0.00 0.00 66.00 65.75 1i9s h PRO 47 Cb 1.22 -0.14 -0.04 0.00 0.11 0.00 0.00 31.00 32.15 1i9s h PRO 47 CO 0.57 0.40 0.45 0.66 -0.21 0.00 0.00 178.00 179.86 1i9s h SER 48 N 0.62 0.28 -0.66 -2.05 4.64 -1.92 -1.35 113.55 113.12 1i9s h SER 48 Ca 0.52 0.01 -0.07 0.00 -0.47 0.00 0.00 61.79 61.78 1i9s h SER 48 Cb 0.98 -0.04 -0.03 0.00 -0.31 0.00 0.00 62.40 63.00 1i9s h SER 48 CO -0.27 0.15 0.14 -0.03 -0.87 0.00 0.00 176.83 175.95 1i9s h MET 49 N 0.30 1.09 -0.20 4.77 -1.53 -1.36 0.14 114.93 118.14 1i9s h MET 49 Ca 0.32 -0.27 -0.06 0.00 -3.44 0.00 0.00 59.70 56.25 1i9s h MET 49 Cb 0.82 -0.14 -0.00 0.00 -0.55 0.00 0.00 31.60 31.72 1i9s h MET 49 CO -0.08 0.97 -0.12 1.25 0.14 0.00 0.00 176.91 179.08 1i9s h LEU 50 N 1.03 0.45 -0.64 3.39 5.85 -1.30 -1.82 115.31 122.26 1i9s h LEU 50 Ca 0.21 -0.43 -0.15 0.00 0.84 0.00 0.00 57.88 58.35 1i9s h LEU 50 Cb 0.39 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 1i9s h LEU 50 CO 0.01 0.78 -0.62 0.77 -0.34 0.00 0.00 178.44 179.03 1i9s h SER 51 N 0.11 0.23 -0.30 1.25 4.64 -1.30 -1.76 113.55 116.44 1i9s h SER 51 Ca 0.04 -0.14 -0.07 0.00 -0.47 0.00 0.00 61.79 61.15 1i9s h SER 51 Cb 0.62 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 62.63 1i9s h SER 51 CO 0.03 0.80 -0.05 0.78 -0.87 0.00 0.00 176.83 177.52 1i9s h ASN 52 N 0.15 0.65 -0.03 4.97 2.35 -0.68 -0.46 115.58 122.52 1i9s h ASN 52 Ca -0.01 -0.16 -0.00 0.00 -0.55 0.00 0.00 56.30 55.58 1i9s h ASN 52 Cb 1.13 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 39.33 1i9s h ASN 52 CO 0.09 0.75 0.01 0.22 -1.65 0.00 0.00 177.43 176.85 1i9s h TYR 53 N 0.63 0.06 -0.63 1.19 3.20 -0.94 -1.33 116.97 119.14 1i9s h TYR 53 Ca 0.12 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.00 1i9s h TYR 53 Cb 0.46 -0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.68 1i9s h TYR 53 CO 0.02 0.29 0.40 -0.07 -1.64 0.00 0.00 178.16 177.16 1i9s h LEU 54 N -0.19 0.66 -1.22 2.82 3.38 -1.21 -2.14 115.31 117.41 1i9s h LEU 54 Ca 0.01 -0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.02 1i9s h LEU 54 Cb 0.26 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.81 1i9s h LEU 54 CO 0.00 0.47 0.54 0.11 0.09 0.00 0.00 178.44 179.65 1i9s h LYS 55 N 0.79 0.96 0.00 1.13 1.57 -0.94 -1.37 116.57 118.71 1i9s h LYS 55 Ca 0.25 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.95 1i9s h LYS 55 Cb -0.02 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.07 1i9s h LYS 55 CO -0.09 0.64 -0.09 0.66 -0.57 0.00 0.00 179.45 180.00 1i9s h SER 56 N 0.99 0.00 -0.27 0.86 4.64 -0.57 -1.61 113.55 117.60 1i9s h SER 56 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 1i9s h SER 56 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1i9s h SER 56 CO -0.10 0.09 0.00 0.18 -0.87 0.00 0.00 176.83 176.13 1i9s n LEU 57 N -3.50 3.23 -3.55 5.97 4.77 -0.59 -4.96 117.00 118.37 1i9s n LEU 57 Ca -0.02 -1.36 -0.22 0.00 -0.03 0.00 0.00 56.01 54.39 1i9s n LEU 57 Cb 0.23 -0.17 0.08 0.00 -2.33 0.00 0.00 43.42 41.23 1i9s n LEU 57 CO 0.29 0.66 0.20 0.29 -1.33 0.00 0.00 177.39 177.49 1i9s n LYS 58 N 1.37 -7.44 -5.14 3.23 5.02 -0.61 -5.00 118.16 109.59 1i9s n LYS 58 Ca 0.17 0.83 -0.29 0.00 -2.02 0.00 0.00 58.31 56.99 1i9s n LYS 58 Cb 0.58 -5.86 -0.16 0.00 -0.02 0.00 0.00 35.03 29.57 1i9s n LYS 58 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1i9s s VAL 59 N -3.34 1.83 0.04 -0.18 1.01 -0.81 -5.04 120.40 113.91 1i9s s VAL 59 Ca 0.39 -0.98 0.03 0.00 0.00 0.00 0.00 61.98 61.43 1i9s s VAL 59 Cb -0.17 -1.53 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 1i9s s VAL 59 CO 0.73 0.52 -0.02 -0.54 0.00 0.00 0.00 175.10 175.79 1i9s s LYS 60 N -0.42 2.62 -0.25 2.72 1.02 -1.26 -4.19 119.74 119.98 1i9s s LYS 60 Ca 0.05 -0.74 -0.09 0.00 0.02 0.00 0.00 55.97 55.21 1i9s s LYS 60 Cb -0.10 -2.57 -0.04 0.00 -0.52 0.00 0.00 37.83 34.60 1i9s s LYS 60 CO 0.00 0.58 0.12 1.41 -0.92 0.00 0.00 175.35 176.55 1i9s s MET 61 N -1.85 3.88 0.07 1.68 -2.45 -1.26 -1.64 119.30 117.72 1i9s s MET 61 Ca 0.22 -0.37 -0.16 0.00 -1.25 0.00 0.00 55.69 54.13 1i9s s MET 61 Cb -0.11 -3.46 -0.14 0.00 1.25 0.00 0.00 34.83 32.37 1i9s s MET 61 CO 0.13 -0.07 1.31 0.77 1.05 0.00 0.00 175.02 178.21 1i9s h SER 62 N 7.91 0.70 -4.34 1.11 0.02 -1.24 -3.42 113.55 114.30 1i9s h SER 62 Ca -0.37 -0.58 -0.12 0.00 -0.84 0.00 0.00 61.79 59.89 1i9s h SER 62 Cb 1.18 -0.20 -0.22 0.00 0.14 0.00 0.00 62.40 63.29 1i9s h SER 62 CO 0.60 1.15 -0.23 -0.22 -1.14 0.00 0.00 176.83 177.00 1i9s s LEU 63 N -8.71 0.52 -0.19 5.07 2.96 -1.25 -1.83 118.68 115.26 1i9s s LEU 63 Ca -0.12 0.55 0.01 0.00 -0.22 0.00 0.00 54.13 54.35 1i9s s LEU 63 Cb 0.07 1.42 0.02 0.00 0.50 0.00 0.00 46.19 48.20 1i9s s LEU 63 CO 0.84 -0.28 -0.19 -0.22 -1.32 0.00 0.00 176.35 175.18 1i9s s LEU 64 N -0.42 2.28 -0.31 -0.68 2.96 0.25 -1.18 118.68 121.58 1i9s s LEU 64 Ca -0.05 -0.74 -0.11 0.00 -0.22 0.00 0.00 54.13 53.01 1i9s s LEU 64 Cb -0.03 -1.49 -0.02 0.00 0.50 0.00 0.00 46.19 45.15 1i9s s LEU 64 CO 0.02 -0.02 0.18 -0.69 -1.32 0.00 0.00 176.35 174.52 1i9s s VAL 65 N 1.27 4.86 -0.34 1.68 1.01 0.12 -1.89 120.40 127.11 1i9s s VAL 65 Ca 0.03 -0.28 -0.13 0.00 0.00 0.00 0.00 61.98 61.60 1i9s s VAL 65 Cb -0.14 -3.45 -0.02 0.00 0.00 0.00 0.00 36.38 32.77 1i9s s VAL 65 CO -0.12 0.08 0.26 -0.62 0.00 0.00 0.00 175.10 174.70 1i9s s ASP 66 N 1.66 6.08 -0.08 3.32 -1.08 -0.08 -1.37 116.67 125.12 1i9s s ASP 66 Ca 0.05 -0.35 0.18 0.00 -0.52 0.00 0.00 52.55 51.92 1i9s s ASP 66 Cb -0.17 -2.15 0.65 0.00 -1.46 0.00 0.00 42.92 39.80 1i9s s ASP 66 CO 0.08 -0.24 1.56 0.18 0.52 0.00 0.00 175.17 177.27 1i9s n LEU 67 N 5.16 4.37 0.11 -1.34 4.77 0.11 -0.99 117.00 129.20 1i9s n LEU 67 Ca -0.12 -2.34 0.13 0.00 -0.03 0.00 0.00 56.01 53.64 1i9s n LEU 67 Cb 0.50 -0.52 0.33 0.00 -2.33 0.00 0.00 43.42 41.39 1i9s n LEU 67 CO 0.37 0.84 0.77 0.71 -1.33 0.00 0.00 177.39 178.74 1i9s h THR 68 N 3.79 0.00 -2.21 -5.08 1.35 -1.84 -3.44 112.91 105.48 1i9s h THR 68 Ca 0.00 -0.55 -0.38 0.00 -0.55 0.00 0.00 66.41 64.93 1i9s h THR 68 Cb 1.29 1.47 -0.05 0.00 -1.73 0.00 0.00 68.15 69.13 1i9s h THR 68 CO 0.16 0.00 -0.45 0.59 -0.25 0.00 0.00 175.52 175.57 1i9s n ASN 69 N -2.35 -5.38 -3.74 5.36 3.02 -1.26 -4.96 115.26 105.95 1i9s n ASN 69 Ca 0.05 0.11 -0.11 0.00 -0.03 0.00 0.00 54.58 54.59 1i9s n ASN 69 Cb 0.45 -4.46 -0.07 0.00 -0.61 0.00 0.00 39.78 35.09 1i9s n ASN 69 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1i9s s THR 70 N -2.87 0.08 -0.44 3.41 -1.32 -1.26 -5.03 115.64 108.21 1i9s s THR 70 Ca 0.00 -0.69 0.10 0.00 -1.21 0.00 0.00 61.69 59.89 1i9s s THR 70 Cb 0.00 -1.01 0.26 0.00 -1.51 0.00 0.00 72.50 70.25 1i9s s THR 70 CO 0.00 -0.38 1.21 -1.20 -2.21 0.00 0.00 174.62 172.03 1i9s n SER 71 N 0.41 2.79 -0.00 8.08 7.64 -1.26 -4.70 113.62 126.58 1i9s n SER 71 Ca -0.18 -2.32 0.14 0.00 1.01 0.00 0.00 58.87 57.52 1i9s n SER 71 Cb 0.60 -0.25 0.59 0.00 -1.01 0.00 0.00 64.21 64.14 1i9s n SER 71 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 1i9s n ARG 72 N -0.19 0.03 -0.02 1.43 1.85 -1.26 -4.14 116.66 114.35 1i9s n ARG 72 Ca 0.11 -0.00 -0.21 0.00 -1.00 0.00 0.00 57.85 56.75 1i9s n ARG 72 Cb 0.49 -1.50 -0.13 0.00 -1.05 0.00 0.00 32.46 30.27 1i9s n ARG 72 CO 0.00 0.00 0.00 0.74 -0.01 0.00 0.00 177.63 178.36 1i9s h PHE 73 N 0.01 0.30 -3.47 2.89 0.04 -1.88 -3.48 116.94 111.35 1i9s h PHE 73 Ca 0.00 -0.22 -0.04 0.00 2.80 0.00 0.00 57.97 60.51 1i9s h PHE 73 Cb 0.49 -0.01 -0.07 0.00 2.20 0.00 0.00 35.95 38.55 1i9s h PHE 73 CO 0.00 1.49 -0.00 1.52 -0.60 0.00 0.00 178.31 180.72 1i9s s TYR 74 N -2.43 0.25 -0.26 -0.55 1.13 -1.26 -0.92 117.35 113.31 1i9s s TYR 74 Ca -0.22 -0.65 -0.19 0.00 -1.41 0.00 0.00 57.07 54.60 1i9s s TYR 74 Cb 0.04 0.35 -0.02 0.00 -1.10 0.00 0.00 41.96 41.23 1i9s s TYR 74 CO 0.72 -1.11 0.57 0.34 -2.51 0.00 0.00 175.55 173.56 1i9s s ASP 75 N -3.01 6.50 0.58 -0.18 -1.08 -1.26 -4.94 116.67 113.27 1i9s s ASP 75 Ca 0.20 0.58 0.28 0.00 -0.52 0.00 0.00 52.55 53.08 1i9s s ASP 75 Cb -0.02 -2.31 1.75 0.00 -1.46 0.00 0.00 42.92 40.87 1i9s s ASP 75 CO 0.10 -0.34 2.23 0.08 0.52 0.00 0.00 175.17 177.76 1i9s h ARG 76 N 7.99 0.00 0.00 4.34 0.11 -2.00 -1.13 114.38 123.69 1i9s h ARG 76 Ca -0.28 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.79 1i9s h ARG 76 Cb 1.13 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.21 1i9s h ARG 76 CO 0.75 0.00 -0.07 -0.97 0.10 0.00 0.00 179.97 179.78 1i9s h ASN 77 N 0.00 0.00 0.47 0.08 -1.24 -1.98 -0.97 115.58 111.94 1i9s h ASN 77 Ca 0.01 0.00 -0.03 0.00 0.71 0.00 0.00 56.30 56.99 1i9s h ASN 77 Cb 0.04 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.08 1i9s h ASN 77 CO -0.00 0.07 -0.13 0.44 -1.29 0.00 0.00 177.43 176.52 1i9s h ASP 78 N 0.00 0.00 0.03 1.15 3.32 -1.62 -0.19 116.42 119.12 1i9s h ASP 78 Ca -0.00 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.83 1i9s h ASP 78 Cb 0.20 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 1i9s h ASP 78 CO 0.01 0.13 -1.19 0.40 -1.72 0.00 0.00 179.24 176.86 1i9s h ILE 79 N 0.00 1.01 0.00 0.35 1.08 -1.36 -3.39 117.51 115.20 1i9s h ILE 79 Ca -0.00 -2.24 -0.07 0.00 -0.39 0.00 0.00 64.86 62.15 1i9s h ILE 79 Cb 0.40 2.46 -0.01 0.00 -3.07 0.00 0.00 36.82 36.60 1i9s h ILE 79 CO 0.02 0.45 -0.35 -0.33 -0.69 0.00 0.00 178.15 177.25 1i9s h GLU 80 N -0.81 0.00 0.00 2.37 5.08 -1.16 -1.98 114.58 118.09 1i9s h GLU 80 Ca -0.31 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 1i9s h GLU 80 Cb 1.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.65 1i9s h GLU 80 CO -0.12 0.35 0.00 1.57 -1.00 0.00 0.00 179.01 179.81 1i9s h LYS 81 N 0.00 0.00 -0.18 2.33 2.10 -1.22 -1.54 116.57 118.07 1i9s h LYS 81 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1i9s h LYS 81 Cb 0.63 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.96 1i9s h LYS 81 CO 0.05 0.00 0.00 0.39 -2.00 0.00 0.00 179.45 177.89 1i9s n GLU 82 N -2.88 1.85 -0.84 0.07 -0.58 -0.75 -4.93 120.64 112.58 1i9s n GLU 82 Ca -0.00 -1.28 0.00 0.00 -0.42 0.00 0.00 57.16 55.46 1i9s n GLU 82 Cb 0.21 -1.42 0.00 0.00 -0.57 0.00 0.00 31.44 29.66 1i9s n GLU 82 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1i9s n GLY 83 N 1.19 0.53 3.72 0.62 0.00 -0.58 -5.04 105.19 105.63 1i9s n GLY 83 Ca 0.17 -0.52 -0.36 0.00 0.00 0.00 0.00 46.02 45.31 1i9s n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1i9s s ILE 84 N -2.00 5.32 0.25 -0.61 1.01 -1.20 -4.95 121.20 119.02 1i9s s ILE 84 Ca 0.00 0.48 -0.30 0.00 0.00 0.00 0.00 60.65 60.84 1i9s s ILE 84 Cb 0.00 -3.61 -0.09 0.00 0.01 0.00 0.00 42.46 38.77 1i9s s ILE 84 CO 0.00 0.39 1.24 -0.75 0.00 0.00 0.00 174.94 175.81 1i9s s LYS 85 N 0.52 4.46 -0.09 2.79 2.20 -0.76 -3.81 119.74 125.04 1i9s s LYS 85 Ca 0.15 2.00 0.03 0.00 -0.36 0.00 0.00 55.97 57.79 1i9s s LYS 85 Cb -0.13 -3.17 -0.01 0.00 -1.51 0.00 0.00 37.83 33.02 1i9s s LYS 85 CO 0.03 -0.09 -0.20 -0.47 -0.36 0.00 0.00 175.35 174.27 1i9s s TYR 86 N -0.58 2.63 -0.04 4.03 6.14 -1.26 -0.58 117.35 127.68 1i9s s TYR 86 Ca 0.51 -0.75 0.01 0.00 0.64 0.00 0.00 57.07 57.48 1i9s s TYR 86 Cb -0.36 -1.72 0.02 0.00 0.42 0.00 0.00 41.96 40.33 1i9s s TYR 86 CO 0.43 -0.24 -0.04 0.42 0.64 0.00 0.00 175.55 176.75 1i9s s ILE 87 N 0.12 0.49 -0.48 3.14 -1.09 -0.79 -4.97 121.20 117.62 1i9s s ILE 87 Ca -0.10 -0.11 -0.17 0.00 -2.23 0.00 0.00 60.65 58.04 1i9s s ILE 87 Cb -0.16 -0.52 0.06 0.00 -1.58 0.00 0.00 42.46 40.27 1i9s s ILE 87 CO 0.06 0.21 0.46 -0.75 -1.23 0.00 0.00 174.94 173.69 1i9s s LYS 88 N 0.82 3.03 -0.47 2.79 2.20 -1.26 -0.91 119.74 125.94 1i9s s LYS 88 Ca -0.11 -1.16 -0.15 0.00 -0.36 0.00 0.00 55.97 54.19 1i9s s LYS 88 Cb -0.14 -4.10 0.08 0.00 -1.51 0.00 0.00 37.83 32.16 1i9s s LYS 88 CO 0.00 -1.06 0.39 -1.17 -0.36 0.00 0.00 175.35 173.16 1i9s s LEU 89 N 1.96 5.63 0.03 5.43 0.20 -0.16 -4.97 118.68 126.81 1i9s s LEU 89 Ca 0.08 -1.35 -0.30 0.00 0.69 0.00 0.00 54.13 53.24 1i9s s LEU 89 Cb -0.22 -2.18 -0.06 0.00 -0.43 0.00 0.00 46.19 43.30 1i9s s LEU 89 CO 0.09 -0.65 1.37 -1.58 -0.29 0.00 0.00 176.35 175.29 1i9s s GLN 90 N 1.63 4.31 0.20 1.98 2.00 -1.26 -4.41 119.66 124.11 1i9s s GLN 90 Ca 0.04 1.96 0.08 0.00 -2.00 0.00 0.00 55.36 55.44 1i9s s GLN 90 Cb -0.24 -3.47 -0.04 0.00 0.80 0.00 0.00 33.01 30.06 1i9s s GLN 90 CO 0.06 -0.50 0.01 0.00 -0.50 0.00 0.00 175.29 174.36 1i9s n LYS 92 N -0.38 1.44 0.00 0.00 0.00 -1.26 -4.99 118.16 112.97 1i9s n LYS 92 Ca -0.09 0.51 0.00 0.00 0.00 0.00 0.00 58.31 58.74 1i9s n LYS 92 Cb 0.56 -2.13 0.00 0.00 0.00 0.00 0.00 35.03 33.46 1i9s n LYS 92 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1i9s n GLY 93 N 2.45 1.08 2.41 3.14 0.00 -1.26 -4.52 105.19 108.49 1i9s n GLY 93 Ca 0.16 -1.86 -0.14 0.00 0.00 0.00 0.00 46.02 44.18 1i9s n GLY 93 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1i9s n HIS 94 N 0.00 -0.02 -0.85 1.61 8.25 -1.26 -2.55 115.22 120.39 1i9s n HIS 94 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1i9s n HIS 94 Cb 0.00 -2.55 0.00 0.00 1.12 0.00 0.00 29.99 28.56 1i9s n HIS 94 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1i9s n GLY 95 N -1.22 1.13 3.81 -1.41 0.00 -1.26 -5.02 105.19 101.20 1i9s n GLY 95 Ca -0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 1i9s n GLY 95 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1i9s s GLU 96 N -0.07 3.44 0.72 1.61 2.02 -1.06 -5.02 118.70 120.34 1i9s s GLU 96 Ca 0.00 1.19 -0.11 0.00 0.02 0.00 0.00 54.97 56.07 1i9s s GLU 96 Cb 0.00 -2.05 0.02 0.00 0.10 0.00 0.00 34.13 32.20 1i9s s GLU 96 CO 0.00 -0.71 1.07 0.00 0.02 0.00 0.00 175.26 175.64 1i9s n PRO 98 N -3.16 1.27 -1.73 0.00 -0.02 -1.26 -4.74 135.00 125.35 1i9s n PRO 98 Ca 0.07 0.45 -0.29 0.00 -2.02 0.00 0.00 63.50 61.71 1i9s n PRO 98 Cb 0.55 -1.88 0.15 0.00 -0.02 0.00 0.00 33.50 32.31 1i9s n PRO 98 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1i9s s THR 99 N -1.18 1.95 0.37 3.45 -4.23 -1.26 -4.84 115.64 109.90 1i9s s THR 99 Ca 0.61 0.00 0.07 0.00 -1.18 0.00 0.00 61.69 61.19 1i9s s THR 99 Cb -0.64 -2.88 0.17 0.00 1.34 0.00 0.00 72.50 70.49 1i9s s THR 99 CO 0.59 0.00 1.91 0.71 -0.54 0.00 0.00 174.62 177.28 1i9s h THR 100 N -1.56 1.18 -0.59 3.99 1.35 -1.99 -1.58 112.91 113.71 1i9s h THR 100 Ca -0.46 -0.73 -0.08 0.00 -0.55 0.00 0.00 66.41 64.58 1i9s h THR 100 Cb 1.29 1.03 -0.02 0.00 -1.73 0.00 0.00 68.15 68.72 1i9s h THR 100 CO 0.51 0.24 0.04 -0.33 -0.25 0.00 0.00 175.52 175.73 1i9s h GLU 101 N 0.38 1.01 -0.69 4.72 3.07 -1.99 -0.20 114.58 120.88 1i9s h GLU 101 Ca 0.08 -0.30 -0.03 0.00 -0.50 0.00 0.00 59.36 58.61 1i9s h GLU 101 Cb 0.32 -0.10 -0.03 0.00 -0.84 0.00 0.00 28.75 28.10 1i9s h GLU 101 CO 0.01 0.98 0.31 -0.91 -1.40 0.00 0.00 179.01 178.00 1i9s h ASN 102 N 0.90 0.91 -0.62 1.42 2.35 -1.76 -0.22 115.58 118.57 1i9s h ASN 102 Ca 0.17 -0.15 -0.08 0.00 -0.55 0.00 0.00 56.30 55.69 1i9s h ASN 102 Cb 0.50 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.61 1i9s h ASN 102 CO 0.02 0.81 0.07 0.71 -1.65 0.00 0.00 177.43 177.39 1i9s h THR 103 N 0.96 1.26 -0.73 2.81 1.35 -1.15 -0.90 112.91 116.52 1i9s h THR 103 Ca 0.23 -1.06 -0.05 0.00 -0.55 0.00 0.00 66.41 64.98 1i9s h THR 103 Cb 0.15 0.73 -0.03 0.00 -1.73 0.00 0.00 68.15 67.26 1i9s h THR 103 CO -0.03 0.39 0.26 -0.08 -0.25 0.00 0.00 175.52 175.81 1i9s h GLU 104 N 0.96 1.10 -0.36 4.72 4.81 -0.71 0.45 114.58 125.56 1i9s h GLU 104 Ca 0.19 -0.21 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 1i9s h GLU 104 Cb 0.47 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 1i9s h GLU 104 CO 0.02 0.92 0.19 1.15 -0.73 0.00 0.00 179.01 180.55 1i9s h THR 105 N 1.07 1.15 -0.44 0.32 2.02 -0.74 -0.03 112.91 116.27 1i9s h THR 105 Ca 0.24 -0.41 0.01 0.00 0.77 0.00 0.00 66.41 67.02 1i9s h THR 105 Cb 0.25 0.77 -0.03 0.00 -1.74 0.00 0.00 68.15 67.40 1i9s h THR 105 CO -0.01 0.16 0.27 0.15 0.37 0.00 0.00 175.52 176.46 1i9s h PHE 106 N 0.45 0.51 -0.40 3.16 3.57 -0.84 -1.60 116.94 121.80 1i9s h PHE 106 Ca 0.13 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.59 1i9s h PHE 106 Cb 0.08 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.64 1i9s h PHE 106 CO -0.02 0.31 0.04 0.82 -2.23 0.00 0.00 178.31 177.23 1i9s h ILE 107 N 0.55 1.25 -0.80 1.41 2.04 -0.70 -0.47 117.51 120.80 1i9s h ILE 107 Ca 0.17 -0.92 0.07 0.00 1.00 0.00 0.00 64.86 65.18 1i9s h ILE 107 Cb -0.02 1.07 -0.06 0.00 -0.74 0.00 0.00 36.82 37.07 1i9s h ILE 107 CO -0.06 0.31 0.47 -0.09 0.00 0.00 0.00 178.15 178.78 1i9s h ARG 108 N 0.51 0.81 0.28 2.37 2.43 -0.81 -0.19 114.38 119.77 1i9s h ARG 108 Ca 0.12 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.23 1i9s h ARG 108 Cb 0.41 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 1i9s h ARG 108 CO 0.01 0.53 -0.13 1.25 -1.51 0.00 0.00 179.97 180.12 1i9s h LEU 109 N 0.83 -0.31 -1.17 3.80 5.85 -1.15 -3.33 115.31 119.84 1i9s h LEU 109 Ca 0.36 -0.21 -0.09 0.00 0.84 0.00 0.00 57.88 58.78 1i9s h LEU 109 Cb 0.24 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 1i9s h LEU 109 CO -0.20 0.09 -0.41 0.00 -0.34 0.00 0.00 178.44 177.58 1i9s h GLU 111 N 0.00 0.00 0.00 0.00 4.11 -1.14 -0.15 114.58 117.41 1i9s h GLU 111 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1i9s h GLU 111 Cb 0.74 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.99 1i9s h GLU 111 CO 0.05 0.00 0.00 0.54 0.07 0.00 0.00 179.01 179.67 1i9s n ARG 112 N -2.57 0.15 -4.28 1.06 1.74 -1.02 -5.11 116.66 106.63 1i9s n ARG 112 Ca -0.00 0.16 -0.27 0.00 -0.77 0.00 0.00 57.85 56.97 1i9s n ARG 112 Cb 0.17 -1.69 -0.09 0.00 -1.02 0.00 0.00 32.46 29.83 1i9s n ARG 112 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1i9s s PHE 113 N -3.08 2.66 -0.02 -1.55 0.08 -0.07 -5.17 117.98 110.83 1i9s s PHE 113 Ca 0.11 -0.21 -0.03 0.00 0.12 0.00 0.00 56.93 56.92 1i9s s PHE 113 Cb 0.14 -1.31 -0.04 0.00 -0.57 0.00 0.00 43.02 41.25 1i9s s PHE 113 CO 0.54 0.50 0.15 -1.25 -0.10 0.00 0.00 175.22 175.06 1i9s s PRO 119 N -2.79 3.33 0.02 0.24 0.04 -1.26 -5.01 135.00 129.58 1i9s s PRO 119 Ca 0.25 -0.34 -0.01 0.00 0.04 0.00 0.00 61.00 60.93 1i9s s PRO 119 Cb -0.09 -3.04 -0.02 0.00 0.04 0.00 0.00 34.50 31.39 1i9s s PRO 119 CO 0.15 0.68 -0.00 -1.21 0.04 0.00 0.00 177.00 176.66 1i9s s GLU 120 N -1.76 0.35 0.39 4.56 2.02 -1.26 -4.67 118.70 118.33 1i9s s GLU 120 Ca 0.24 -0.59 -0.06 0.00 0.02 0.00 0.00 54.97 54.59 1i9s s GLU 120 Cb -0.12 0.13 -0.05 0.00 0.10 0.00 0.00 34.13 34.19 1i9s s GLU 120 CO 0.15 -0.06 0.69 -0.51 0.02 0.00 0.00 175.26 175.55 1i9s s LEU 121 N -1.49 3.84 -0.26 1.80 1.43 -0.65 -4.75 118.68 118.61 1i9s s LEU 121 Ca -0.15 0.86 -0.06 0.00 -1.03 0.00 0.00 54.13 53.75 1i9s s LEU 121 Cb -0.09 -3.74 -0.00 0.00 0.03 0.00 0.00 46.19 42.38 1i9s s LEU 121 CO -0.01 -0.39 0.03 -0.63 0.23 0.00 0.00 176.35 175.57 1i9s s ILE 122 N -2.42 3.76 0.26 -0.59 1.01 0.83 -0.76 121.20 123.29 1i9s s ILE 122 Ca 0.46 -0.54 -0.25 0.00 0.00 0.00 0.00 60.65 60.32 1i9s s ILE 122 Cb -0.10 -2.83 -0.09 0.00 0.01 0.00 0.00 42.46 39.45 1i9s s ILE 122 CO 0.36 0.26 0.87 -0.83 0.00 0.00 0.00 174.94 175.60 1i9s s GLY 123 N 1.51 2.85 -0.04 6.18 0.00 -0.33 -0.60 107.32 116.88 1i9s s GLY 123 Ca 0.04 0.44 0.00 0.00 0.00 0.00 0.00 44.72 45.20 1i9s s GLY 123 CO 0.00 0.90 -0.02 0.14 0.00 0.00 0.00 173.10 174.12 1i9s s VAL 124 N -1.42 0.38 0.01 1.40 1.01 -0.69 -0.70 120.40 120.38 1i9s s VAL 124 Ca 0.44 0.00 -0.05 0.00 0.00 0.00 0.00 61.98 62.37 1i9s s VAL 124 Cb -0.20 -0.45 -0.00 0.00 0.00 0.00 0.00 36.38 35.72 1i9s s VAL 124 CO 0.25 0.20 0.09 -1.38 0.00 0.00 0.00 175.10 174.27 1i9s s HIS 125 N 1.16 0.10 0.00 5.22 -3.43 -0.47 -1.47 115.29 116.40 1i9s s HIS 125 Ca -0.07 -0.23 0.00 0.00 -0.80 0.00 0.00 55.06 53.95 1i9s s HIS 125 Cb -0.14 -0.08 0.00 0.00 -1.43 0.00 0.00 32.58 30.93 1i9s s HIS 125 CO -0.02 -0.26 0.00 0.00 -2.00 0.00 0.00 174.74 172.47 1i9s h THR 127 N 0.00 1.38 0.00 0.00 2.02 -1.91 -2.77 112.91 111.63 1i9s h THR 127 Ca 0.00 -1.57 0.00 0.00 0.77 0.00 0.00 66.41 65.61 1i9s h THR 127 Cb 0.00 2.09 0.00 0.00 -1.74 0.00 0.00 68.15 68.50 1i9s h THR 127 CO 0.00 0.46 -1.40 1.41 0.37 0.00 0.00 175.52 176.36 1i9s n HIS 128 N -4.43 0.00 -0.84 3.16 8.25 -1.26 -1.65 115.22 118.45 1i9s n HIS 128 Ca -0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 1i9s n HIS 128 Cb 0.46 -0.25 0.00 0.00 1.12 0.00 0.00 29.99 31.33 1i9s n HIS 128 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1i9s n GLY 129 N 1.55 0.70 1.11 -1.41 0.00 -1.24 -4.09 105.19 101.82 1i9s n GLY 129 Ca -0.01 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.33 1i9s n GLY 129 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1i9s n PHE 130 N -2.74 -0.17 -0.04 1.61 3.72 -1.26 -4.67 117.46 113.91 1i9s n PHE 130 Ca 0.00 0.03 -0.00 0.00 -0.05 0.00 0.00 57.45 57.43 1i9s n PHE 130 Cb 0.09 0.04 -0.00 0.00 -0.94 0.00 0.00 39.48 38.67 1i9s n PHE 130 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 1i9s h ASN 131 N 0.00 0.00 -0.50 4.37 2.35 -1.94 -0.28 115.58 119.57 1i9s h ASN 131 Ca 0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 1i9s h ASN 131 Cb 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 1i9s h ASN 131 CO 0.00 0.41 0.29 0.03 -1.65 0.00 0.00 177.43 176.51 1i9s h ARG 132 N -0.79 0.69 0.12 0.81 3.08 -1.98 -0.67 114.38 115.64 1i9s h ARG 132 Ca 0.00 -0.07 0.01 0.00 0.07 0.00 0.00 59.98 59.99 1i9s h ARG 132 Cb 0.02 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 29.91 1i9s h ARG 132 CO 0.00 0.52 -0.18 1.15 -1.07 0.00 0.00 179.97 180.39 1i9s h THR 133 N 0.67 0.60 -0.58 2.04 2.02 -1.88 -1.95 112.91 113.84 1i9s h THR 133 Ca 0.18 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.28 1i9s h THR 133 Cb 0.01 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.00 1i9s h THR 133 CO -0.03 0.00 0.04 1.23 0.37 0.00 0.00 175.52 177.12 1i9s h GLY 134 N -0.35 1.06 0.85 2.16 0.00 -0.93 -2.16 103.07 103.70 1i9s h GLY 134 Ca 0.02 -0.72 0.02 0.00 0.00 0.00 0.00 47.33 46.64 1i9s h GLY 134 CO -0.08 0.67 0.05 -2.75 0.00 0.00 0.00 176.54 174.43 1i9s h PHE 135 N 0.91 0.10 -0.29 5.60 3.04 -0.91 0.02 116.94 125.40 1i9s h PHE 135 Ca 0.17 0.01 -0.18 0.00 3.98 0.00 0.00 57.97 61.96 1i9s h PHE 135 Cb 0.48 -0.02 -0.00 0.00 2.56 0.00 0.00 35.95 38.97 1i9s h PHE 135 CO 0.03 0.05 -0.52 -0.07 -2.02 0.00 0.00 178.31 175.78 1i9s h LEU 136 N 0.13 0.92 -0.38 0.59 3.38 -1.32 -0.98 115.31 117.65 1i9s h LEU 136 Ca 0.07 -0.48 -0.01 0.00 0.09 0.00 0.00 57.88 57.55 1i9s h LEU 136 Cb 0.05 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 1i9s h LEU 136 CO -0.08 1.26 0.19 0.40 0.09 0.00 0.00 178.44 180.30 1i9s h ILE 137 N 0.65 1.16 -0.89 1.22 2.04 -1.27 -1.57 117.51 118.86 1i9s h ILE 137 Ca 0.02 -0.45 -0.02 0.00 1.00 0.00 0.00 64.86 65.41 1i9s h ILE 137 Cb 1.11 0.76 -0.04 0.00 -0.74 0.00 0.00 36.82 37.91 1i9s h ILE 137 CO 0.11 0.17 0.48 0.00 0.00 0.00 0.00 178.15 178.91 1i9s h ALA 139 N 1.26 1.05 -0.32 0.00 0.00 -0.93 -1.70 119.26 118.62 1i9s h ALA 139 Ca 0.31 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1i9s h ALA 139 Cb 0.04 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1i9s h ALA 139 CO -0.05 0.64 0.13 0.35 0.00 0.00 0.00 179.25 180.32 1i9s h PHE 140 N 1.16 0.48 -0.94 0.00 3.04 -0.89 -0.47 116.94 119.32 1i9s h PHE 140 Ca 0.28 -0.04 0.02 0.00 3.98 0.00 0.00 57.97 62.21 1i9s h PHE 140 Cb 0.16 -0.15 -0.05 0.00 2.56 0.00 0.00 35.95 38.47 1i9s h PHE 140 CO 0.02 0.46 0.62 -0.07 -2.02 0.00 0.00 178.31 177.32 1i9s h LEU 141 N 0.37 1.05 0.04 0.59 3.38 -0.73 0.12 115.31 120.12 1i9s h LEU 141 Ca 0.11 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 1i9s h LEU 141 Cb 0.18 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1i9s h LEU 141 CO -0.01 0.74 -0.02 0.58 0.09 0.00 0.00 178.44 179.82 1i9s h VAL 142 N 1.23 1.36 -0.12 1.22 2.07 -1.16 -1.80 116.25 119.05 1i9s h VAL 142 Ca 0.36 -1.66 -0.20 0.00 0.82 0.00 0.00 66.70 66.02 1i9s h VAL 142 Cb -0.07 2.41 0.00 0.00 -1.52 0.00 0.00 31.29 32.11 1i9s h VAL 142 CO -0.10 0.40 -0.73 -0.33 0.02 0.00 0.00 177.57 176.84 1i9s h GLU 143 N -0.83 0.57 0.00 1.57 5.08 -0.97 -3.11 114.58 116.89 1i9s h GLU 143 Ca -0.00 -0.45 -0.24 0.00 -1.00 0.00 0.00 59.36 57.66 1i9s h GLU 143 Cb 0.69 0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.99 1i9s h GLU 143 CO 0.01 1.08 -1.96 1.63 -1.00 0.00 0.00 179.01 178.77 1i9s n LYS 144 N -3.89 1.59 0.00 2.33 4.76 0.39 -4.63 118.16 118.71 1i9s n LYS 144 Ca -0.05 -0.02 0.09 0.00 -2.87 0.00 0.00 58.31 55.46 1i9s n LYS 144 Cb 0.71 -1.37 0.07 0.00 -1.84 0.00 0.00 35.03 32.61 1i9s n LYS 144 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 1i9s n MET 145 N -2.49 1.63 -2.93 1.97 2.81 -0.96 -5.00 117.12 112.15 1i9s n MET 145 Ca -0.22 -1.56 -0.19 0.00 -1.81 0.00 0.00 57.70 53.92 1i9s n MET 145 Cb 0.93 -1.36 0.03 0.00 -0.71 0.00 0.00 33.22 32.11 1i9s n MET 145 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1i9s n ASP 146 N 0.97 -5.36 -4.90 7.83 8.00 -0.80 -4.93 116.55 117.35 1i9s n ASP 146 Ca 0.11 -0.25 -0.28 0.00 0.71 0.00 0.00 54.79 55.07 1i9s n ASP 146 Cb 0.47 -4.19 0.00 0.00 -0.02 0.00 0.00 41.12 37.38 1i9s n ASP 146 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 1i9s s TRP 147 N -3.08 3.56 0.58 1.24 0.52 -0.75 -4.99 118.94 116.02 1i9s s TRP 147 Ca 0.27 0.90 -0.13 0.00 0.02 0.00 0.00 56.10 57.16 1i9s s TRP 147 Cb -0.12 -2.41 -0.05 0.00 -1.15 0.00 0.00 33.47 29.74 1i9s s TRP 147 CO 0.33 -0.39 1.01 -1.54 0.02 0.00 0.00 176.95 176.39 1i9s s SER 148 N -4.13 6.36 0.27 2.95 1.04 -1.26 -4.28 113.70 114.65 1i9s s SER 148 Ca 0.49 1.47 0.10 0.00 0.48 0.00 0.00 55.95 58.49 1i9s s SER 148 Cb -0.10 -2.48 0.37 0.00 0.10 0.00 0.00 66.02 63.90 1i9s s SER 148 CO 0.47 -0.77 1.62 -0.29 0.98 0.00 0.00 173.24 175.24 1i9s h ILE 149 N 0.10 1.42 -0.44 -1.02 6.09 -1.95 -1.59 117.51 120.12 1i9s h ILE 149 Ca -0.45 -2.04 0.01 0.00 -1.37 0.00 0.00 64.86 61.01 1i9s h ILE 149 Cb 1.19 2.09 -0.02 0.00 0.47 0.00 0.00 36.82 40.54 1i9s h ILE 149 CO 0.62 0.59 0.28 -0.33 -3.07 0.00 0.00 178.15 176.24 1i9s h GLU 150 N 0.03 0.56 -0.54 2.19 3.07 -1.95 -0.99 114.58 116.95 1i9s h GLU 150 Ca -0.01 -0.03 -0.12 0.00 -0.50 0.00 0.00 59.36 58.70 1i9s h GLU 150 Cb 1.06 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 28.83 1i9s h GLU 150 CO 0.08 0.37 -0.12 0.00 -1.40 0.00 0.00 179.01 177.94 1i9s h ALA 151 N 1.17 0.77 0.14 3.43 0.00 -1.88 -1.88 119.26 121.02 1i9s h ALA 151 Ca 0.16 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1i9s h ALA 151 Cb -0.05 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.55 1i9s h ALA 151 CO -0.05 0.67 -0.07 0.00 0.00 0.00 0.00 179.25 179.81 1i9s h ALA 152 N 0.94 -0.19 -0.48 0.00 0.00 -0.92 0.23 119.26 118.84 1i9s h ALA 152 Ca 0.14 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1i9s h ALA 152 Cb 0.69 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1i9s h ALA 152 CO 0.05 -0.52 0.21 0.28 0.00 0.00 0.00 179.25 179.28 1i9s h VAL 153 N -0.36 1.20 -0.52 0.00 2.07 -1.19 -0.71 116.25 116.75 1i9s h VAL 153 Ca -0.02 -0.59 -0.10 0.00 0.82 0.00 0.00 66.70 66.81 1i9s h VAL 153 Cb 0.29 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 1i9s h VAL 153 CO 0.03 0.23 -0.07 0.00 0.02 0.00 0.00 177.57 177.78 1i9s h ALA 154 N 1.06 0.90 -0.49 1.67 0.00 -1.26 -1.34 119.26 119.80 1i9s h ALA 154 Ca 0.16 -0.32 -0.11 0.00 0.00 0.00 0.00 54.91 54.64 1i9s h ALA 154 Cb 0.16 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1i9s h ALA 154 CO -0.02 0.64 -0.15 1.15 0.00 0.00 0.00 179.25 180.88 1i9s h THR 155 N 0.84 1.27 -0.41 0.00 2.02 -0.68 -2.00 112.91 113.95 1i9s h THR 155 Ca 0.14 -1.28 -0.10 0.00 0.77 0.00 0.00 66.41 65.94 1i9s h THR 155 Cb 0.60 1.04 -0.02 0.00 -1.74 0.00 0.00 68.15 68.03 1i9s h THR 155 CO 0.04 0.44 -0.14 0.15 0.37 0.00 0.00 175.52 176.38 1i9s h PHE 156 N 0.82 0.83 -0.55 3.16 3.57 -0.97 -0.50 116.94 123.31 1i9s h PHE 156 Ca 0.12 -0.16 -0.05 0.00 3.53 0.00 0.00 57.97 61.41 1i9s h PHE 156 Cb 0.69 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 39.19 1i9s h PHE 156 CO 0.04 0.85 0.13 0.00 -2.23 0.00 0.00 178.31 177.11 1i9s h ALA 157 N 1.16 1.20 0.08 2.41 0.00 -0.94 -0.65 119.26 122.52 1i9s h ALA 157 Ca 0.11 -0.21 -0.26 0.00 0.00 0.00 0.00 54.91 54.56 1i9s h ALA 157 Cb 0.62 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.20 1i9s h ALA 157 CO 0.04 0.55 -1.12 1.96 0.00 0.00 0.00 179.25 180.68 1i9s h GLN 158 N 0.81 0.40 -0.09 0.00 4.20 -1.04 -3.10 115.11 116.28 1i9s h GLN 158 Ca 0.18 -0.53 -0.14 0.00 0.06 0.00 0.00 58.65 58.22 1i9s h GLN 158 Cb 0.30 0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.24 1i9s h GLN 158 CO -0.00 1.20 -0.56 0.00 -0.67 0.00 0.00 178.83 178.80 1i9s h ALA 159 N 0.59 0.88 -2.01 3.87 0.00 -0.79 -3.38 119.26 118.42 1i9s h ALA 159 Ca -0.12 -0.51 -0.53 0.00 0.00 0.00 0.00 54.91 53.75 1i9s h ALA 159 Cb 1.79 -0.09 -0.40 0.00 0.00 0.00 0.00 17.79 19.10 1i9s h ALA 159 CO 0.19 0.70 -1.13 -2.13 0.00 0.00 0.00 179.25 176.88 1i9s n ARG 160 N -3.92 0.91 -1.82 0.00 3.00 -0.28 -0.89 116.66 113.66 1i9s n ARG 160 Ca -0.02 -3.35 -0.41 0.00 -0.00 0.00 0.00 57.85 54.06 1i9s n ARG 160 Cb 0.59 -1.47 -0.01 0.00 0.00 0.00 0.00 32.46 31.57 1i9s n ARG 160 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 1i9s s PRO 161 N -1.80 4.13 -0.10 -0.14 0.04 -1.17 0.06 135.00 136.02 1i9s s PRO 161 Ca 0.38 2.54 0.09 0.00 0.04 0.00 0.00 61.00 64.04 1i9s s PRO 161 Cb 0.25 -2.99 0.42 0.00 0.04 0.00 0.00 34.50 32.22 1i9s s PRO 161 CO -0.10 -0.53 1.20 -0.35 0.04 0.00 0.00 177.00 177.27 1i9s n PRO 162 N 0.95 2.82 0.00 0.56 -0.04 -1.26 -5.05 135.00 132.97 1i9s n PRO 162 Ca 0.03 -1.63 0.00 0.00 -0.04 0.00 0.00 63.50 61.86 1i9s n PRO 162 Cb 0.39 -1.77 0.00 0.00 -0.04 0.00 0.00 33.50 32.08 1i9s n PRO 162 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1i9s n GLY 163 N 0.53 -1.47 3.71 0.55 0.00 0.11 -4.72 105.19 103.90 1i9s n GLY 163 Ca 0.15 -1.35 -0.42 0.00 0.00 0.00 0.00 46.02 44.39 1i9s n GLY 163 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1i9s s ILE 164 N 0.00 2.64 0.00 -0.61 1.01 -1.26 -4.77 121.20 118.20 1i9s s ILE 164 Ca 0.00 0.38 0.00 0.00 0.00 0.00 0.00 60.65 61.03 1i9s s ILE 164 Cb 0.00 -3.24 0.00 0.00 0.01 0.00 0.00 42.46 39.23 1i9s s ILE 164 CO 0.00 0.02 0.64 0.00 0.00 0.00 0.00 174.94 175.60 1i9s n TYR 165 N 4.43 0.00 -3.18 3.97 0.18 -1.26 -4.60 117.16 116.70 1i9s n TYR 165 Ca 0.15 -0.14 -0.40 0.00 1.88 0.00 0.00 57.90 59.38 1i9s n TYR 165 Cb 0.39 -0.01 -0.07 0.00 -0.38 0.00 0.00 39.34 39.26 1i9s n TYR 165 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 1i9s s LYS 166 N -0.29 4.08 0.35 -3.48 1.02 -1.26 -4.72 119.74 115.45 1i9s s LYS 166 Ca 0.00 0.42 0.04 0.00 0.02 0.00 0.00 55.97 56.45 1i9s s LYS 166 Cb 0.00 -3.65 0.68 0.00 -0.52 0.00 0.00 37.83 34.34 1i9s s LYS 166 CO 0.00 -0.38 1.98 0.78 -0.92 0.00 0.00 175.35 176.81 1i9s h GLY 167 N 8.85 0.94 2.00 -3.33 0.00 -1.94 -1.28 103.07 108.31 1i9s h GLY 167 Ca -0.28 -0.32 -0.08 0.00 0.00 0.00 0.00 47.33 46.65 1i9s h GLY 167 CO 0.74 0.28 -0.38 1.29 0.00 0.00 0.00 176.54 178.47 1i9s h ASP 168 N 0.82 0.00 -0.21 0.19 2.03 -1.97 -1.40 116.42 115.87 1i9s h ASP 168 Ca 0.27 0.00 -0.09 0.00 -0.73 0.00 0.00 57.03 56.48 1i9s h ASP 168 Cb 0.07 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.57 1i9s h ASP 168 CO -0.08 0.38 -0.23 1.88 -1.03 0.00 0.00 179.24 180.16 1i9s h TYR 169 N 0.00 0.65 -0.71 4.15 -1.99 -1.66 -1.36 116.97 116.05 1i9s h TYR 169 Ca -0.00 -0.20 -0.03 0.00 2.00 0.00 0.00 58.73 60.49 1i9s h TYR 169 Cb 0.73 -0.13 -0.03 0.00 2.00 0.00 0.00 36.73 39.29 1i9s h TYR 169 CO 0.00 0.89 0.32 -0.07 -0.00 0.00 0.00 178.16 179.30 1i9s h LEU 170 N 0.22 0.95 -0.81 3.88 3.38 -1.23 -1.44 115.31 120.26 1i9s h LEU 170 Ca 0.03 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 1i9s h LEU 170 Cb 0.79 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 1i9s h LEU 170 CO 0.06 0.84 0.23 0.11 0.09 0.00 0.00 178.44 179.77 1i9s h LYS 171 N 1.00 1.12 -0.10 1.13 1.57 -1.24 -2.25 116.57 117.81 1i9s h LYS 171 Ca 0.24 -0.23 -0.13 0.00 -1.87 0.00 0.00 60.65 58.65 1i9s h LYS 171 Cb 0.16 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 1i9s h LYS 171 CO -0.03 0.95 -0.53 1.49 -0.57 0.00 0.00 179.45 180.76 1i9s h GLU 172 N 1.08 0.27 -0.58 3.15 4.57 -1.00 0.82 114.58 122.89 1i9s h GLU 172 Ca 0.24 -0.17 -0.10 0.00 -1.18 0.00 0.00 59.36 58.15 1i9s h GLU 172 Cb 0.29 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.88 1i9s h GLU 172 CO -0.01 0.74 -0.01 -0.07 -1.18 0.00 0.00 179.01 178.48 1i9s h LEU 173 N 0.21 1.02 -0.70 1.64 3.38 -1.03 -1.37 115.31 118.46 1i9s h LEU 173 Ca 0.00 -0.31 -0.13 0.00 0.09 0.00 0.00 57.88 57.53 1i9s h LEU 173 Cb 1.01 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 1i9s h LEU 173 CO 0.08 1.08 -0.40 -0.26 0.09 0.00 0.00 178.44 179.04 1i9s h PHE 174 N 0.92 0.65 -0.50 1.13 -1.00 -1.03 0.34 116.94 117.46 1i9s h PHE 174 Ca 0.16 -0.18 -0.03 0.00 2.81 0.00 0.00 57.97 60.73 1i9s h PHE 174 Cb 0.56 -0.14 -0.02 0.00 3.61 0.00 0.00 35.95 39.96 1i9s h PHE 174 CO 0.04 0.86 0.19 -0.09 -1.61 0.00 0.00 178.31 177.70 1i9s h ARG 175 N 0.45 0.75 -0.24 1.51 2.43 -0.45 0.27 114.38 119.10 1i9s h ARG 175 Ca 0.04 -0.14 -0.13 0.00 -0.81 0.00 0.00 59.98 58.94 1i9s h ARG 175 Cb 0.89 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 30.32 1i9s h ARG 175 CO 0.08 0.68 -0.34 0.00 -1.51 0.00 0.00 179.97 178.88 1i9s h ARG 176 N 0.67 0.66 -0.00 0.20 3.08 -1.15 -3.40 114.38 114.42 1i9s h ARG 176 Ca 0.17 -0.38 0.00 0.00 0.07 0.00 0.00 59.98 59.83 1i9s h ARG 176 Cb 0.21 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.29 1i9s h ARG 176 CO -0.01 1.00 -0.07 0.66 -1.07 0.00 0.00 179.97 180.48 1i9s n TYR 177 N -4.26 0.00 0.00 3.04 4.01 0.10 -5.07 117.16 114.98 1i9s n TYR 177 Ca -0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.69 1i9s n TYR 177 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.53 1i9s n TYR 177 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1i9s n GLY 178 N 0.63 4.22 3.26 2.72 0.00 0.92 -4.67 105.19 112.27 1i9s n GLY 178 Ca 0.01 -0.41 -0.35 0.00 0.00 0.00 0.00 46.02 45.27 1i9s n GLY 178 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1i9s s ASP 179 N 1.41 4.25 0.43 1.61 -1.08 -1.19 -4.69 116.67 117.40 1i9s s ASP 179 Ca 0.00 -0.57 0.14 0.00 -0.52 0.00 0.00 52.55 51.60 1i9s s ASP 179 Cb 0.00 -1.70 1.03 0.00 -1.46 0.00 0.00 42.92 40.78 1i9s s ASP 179 CO 0.00 -0.06 1.95 -0.29 0.52 0.00 0.00 175.17 177.29 1i9s h ILE 180 N 5.86 0.85 0.00 4.11 2.10 -1.88 -0.52 117.51 128.04 1i9s h ILE 180 Ca -0.39 -0.15 0.00 0.00 1.08 0.00 0.00 64.86 65.40 1i9s h ILE 180 Cb 1.14 0.39 0.00 0.00 -1.09 0.00 0.00 36.82 37.26 1i9s h ILE 180 CO 0.60 0.08 0.00 -0.33 -1.08 0.00 0.00 178.15 177.42 1i9s h GLU 181 N 0.43 0.00 -0.30 2.19 5.08 -1.94 -2.19 114.58 117.84 1i9s h GLU 181 Ca 0.32 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 1i9s h GLU 181 Cb 0.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.93 1i9s h GLU 181 CO -0.10 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 178.30 1i9s n GLU 182 N -2.65 2.41 -1.82 2.33 1.02 -0.20 -4.98 120.64 116.75 1i9s n GLU 182 Ca -0.01 -2.12 -0.41 0.00 -0.02 0.00 0.00 57.16 54.61 1i9s n GLU 182 Cb 0.15 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.06 1i9s n GLU 182 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1i9s s ALA 183 N -1.62 3.70 0.52 0.62 0.00 -0.83 -4.96 121.76 119.19 1i9s s ALA 183 Ca 0.36 1.53 -0.18 0.00 0.00 0.00 0.00 51.96 53.68 1i9s s ALA 183 Cb 0.22 -3.63 -0.07 0.00 0.00 0.00 0.00 23.12 19.64 1i9s s ALA 183 CO 0.31 -0.96 1.02 -1.25 0.00 0.00 0.00 175.76 174.89 1i9s s PRO 184 N -0.75 3.72 0.83 0.00 0.04 -1.26 -5.00 135.00 132.58 1i9s s PRO 184 Ca 0.61 1.18 -0.11 0.00 0.04 0.00 0.00 61.00 62.72 1i9s s PRO 184 Cb -0.47 -2.09 0.09 0.00 0.04 0.00 0.00 34.50 32.07 1i9s s PRO 184 CO 0.50 -0.47 1.09 -1.25 0.04 0.00 0.00 177.00 176.91 1i9s s PRO 185 N -3.72 1.82 0.60 0.56 0.04 -1.26 -4.78 135.00 128.26 1i9s s PRO 185 Ca 0.63 1.06 -0.19 0.00 0.04 0.00 0.00 61.00 62.54 1i9s s PRO 185 Cb -0.14 -1.86 -0.03 0.00 0.04 0.00 0.00 34.50 32.52 1i9s s PRO 185 CO 0.28 -1.92 1.26 -1.25 0.04 0.00 0.00 177.00 175.41 1i9s s PRO 186 N -4.90 2.86 0.69 0.56 0.04 -1.26 -4.97 135.00 128.02 1i9s s PRO 186 Ca 0.62 1.98 -0.13 0.00 0.04 0.00 0.00 61.00 63.52 1i9s s PRO 186 Cb -0.18 -1.96 0.01 0.00 0.04 0.00 0.00 34.50 32.42 1i9s s PRO 186 CO 0.57 -1.34 1.08 -1.25 0.04 0.00 0.00 177.00 176.10 1i9s s PRO 187 N -3.26 2.74 0.22 0.56 0.04 -1.26 -5.00 135.00 129.03 1i9s s PRO 187 Ca 0.78 1.18 -0.30 0.00 0.04 0.00 0.00 61.00 62.70 1i9s s PRO 187 Cb -0.35 -1.96 -0.08 0.00 0.04 0.00 0.00 34.50 32.15 1i9s s PRO 187 CO 0.38 -1.27 1.13 0.08 0.04 0.00 0.00 177.00 177.36 1i9s s VAL 188 N -2.72 3.63 0.27 -0.36 1.01 -1.26 -5.01 120.40 115.95 1i9s s VAL 188 Ca 0.62 1.47 -0.18 0.00 0.00 0.00 0.00 61.98 63.89 1i9s s VAL 188 Cb -0.17 -3.94 -0.09 0.00 0.00 0.00 0.00 36.38 32.19 1i9s s VAL 188 CO 0.49 0.28 0.73 -0.76 0.00 0.00 0.00 175.10 175.84 1i9s s LEU 189 N -0.72 4.22 0.67 3.92 1.43 -1.26 -5.01 118.68 121.93 1i9s s LEU 189 Ca 0.49 1.36 -0.15 0.00 -1.03 0.00 0.00 54.13 54.80 1i9s s LEU 189 Cb -0.31 -3.81 0.00 0.00 0.03 0.00 0.00 46.19 42.10 1i9s s LEU 189 CO 0.38 -0.08 1.12 -2.16 0.23 0.00 0.00 176.35 175.84 1i9s s PRO 190 N -2.42 2.72 0.55 1.29 0.04 -1.26 -4.94 135.00 130.97 1i9s s PRO 190 Ca 0.48 1.43 0.22 0.00 0.04 0.00 0.00 61.00 63.17 1i9s s PRO 190 Cb -0.14 -1.94 1.45 0.00 0.04 0.00 0.00 34.50 33.92 1i9s s PRO 190 CO 0.19 -1.32 2.14 -0.44 0.04 0.00 0.00 177.00 177.61 1i9s h ASP 191 N -0.01 0.00 0.21 6.66 3.32 -2.03 -2.86 116.42 121.72 1i9s h ASP 191 Ca -0.47 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.57 1i9s h ASP 191 Cb 1.25 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.80 1i9s h ASP 191 CO 0.54 0.00 -0.07 4.11 -1.72 0.00 0.00 179.24 182.09 1i9s h TRP 192 N 0.00 0.00 -0.89 4.55 5.08 -1.97 -3.15 115.95 119.58 1i9s h TRP 192 Ca 0.05 0.00 0.16 0.00 1.08 0.00 0.00 58.89 60.19 1i9s h TRP 192 Cb 0.24 0.00 -0.07 0.00 -3.00 0.00 0.00 29.16 26.33 1i9s h TRP 192 CO 0.00 0.07 0.58 0.00 -1.28 0.00 0.00 178.44 177.81 1i9s n PHE 194 N -4.56 0.64 0.25 0.00 3.01 -1.19 -4.75 117.46 110.86 1i9s n PHE 194 Ca 0.18 -1.11 0.10 0.00 1.01 0.00 0.00 57.45 57.63 1i9s n PHE 194 Cb 0.54 -0.30 0.66 0.00 -0.01 0.00 0.00 39.48 40.37 1i9s n PHE 194 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1i9s h GLU 195 N 1.06 0.00 -0.72 -1.08 5.08 -1.64 -2.94 114.58 114.35 1i9s h GLU 195 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1i9s h GLU 195 Cb 1.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.58 1i9s h GLU 195 CO 0.18 0.13 0.00 -0.40 -1.00 0.00 0.00 179.01 177.92 1i9s n ASP 196 N -3.93 4.03 -0.08 1.42 5.75 -1.26 -4.67 116.55 117.81 1i9s n ASP 196 Ca -0.02 -2.05 0.02 0.00 -0.01 0.00 0.00 54.79 52.73 1i9s n ASP 196 Cb 0.22 -0.49 0.35 0.00 -1.03 0.00 0.00 41.12 40.17 1i9s n ASP 196 CO 0.00 0.00 0.00 1.05 -0.11 0.00 0.00 177.20 178.14 1i9s h GLU 197 N 4.21 0.70 -0.03 0.11 4.11 -1.87 -3.49 114.58 118.33 1i9s h GLU 197 Ca 0.00 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 59.38 1i9s h GLU 197 Cb 1.04 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.13 1i9s h GLU 197 CO 0.03 0.48 0.00 -0.25 0.07 0.00 0.00 179.01 179.33