#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h2e s TRP 3 N 0.00 3.33 -0.52 5.64 0.52 -1.26 -4.97 118.94 121.68 3h2e s TRP 3 Ca 0.00 0.25 0.10 0.00 0.02 0.00 0.00 56.10 56.48 3h2e s TRP 3 Cb 0.00 -2.25 0.60 0.00 -1.15 0.00 0.00 33.47 30.67 3h2e s TRP 3 CO 0.00 0.11 1.42 -0.40 0.02 0.00 0.00 176.95 178.09 3h2e n ASP 4 N 4.14 4.41 -3.72 2.95 3.85 -1.26 -4.89 116.55 122.03 3h2e n ASP 4 Ca -0.15 -2.65 -0.10 0.00 -0.71 0.00 0.00 54.79 51.18 3h2e n ASP 4 Cb 0.52 -0.63 -0.05 0.00 -1.35 0.00 0.00 41.12 39.61 3h2e n ASP 4 CO 0.00 0.00 0.00 -0.72 -1.01 0.00 0.00 177.20 175.47 3h2e s TYR 5 N -2.25 -0.07 0.10 2.11 -0.85 -1.26 -5.17 117.35 109.97 3h2e s TYR 5 Ca 0.40 -0.29 0.03 0.00 -0.52 0.00 0.00 57.07 56.69 3h2e s TYR 5 Cb 0.30 0.15 -0.04 0.00 0.38 0.00 0.00 41.96 42.75 3h2e s TYR 5 CO 0.12 -0.66 0.15 -0.51 -1.52 0.00 0.00 175.55 173.14 3h2e s ASP 6 N -2.83 5.84 -0.31 -0.18 1.01 -1.26 -4.58 116.67 114.35 3h2e s ASP 6 Ca 0.04 0.05 -0.29 0.00 0.71 0.00 0.00 52.55 53.07 3h2e s ASP 6 Cb 0.03 -1.65 0.01 0.00 1.01 0.00 0.00 42.92 42.32 3h2e s ASP 6 CO -0.11 0.13 1.24 -0.22 0.21 0.00 0.00 175.17 176.42 3h2e s LEU 7 N -2.70 3.88 -0.34 1.23 0.20 -0.08 -4.91 118.68 115.97 3h2e s LEU 7 Ca 0.32 1.13 -0.19 0.00 0.69 0.00 0.00 54.13 56.08 3h2e s LEU 7 Cb -0.12 -3.54 -0.01 0.00 -0.43 0.00 0.00 46.19 42.10 3h2e s LEU 7 CO 0.25 -1.04 0.56 -0.13 -0.29 0.00 0.00 176.35 175.69 3h2e s ARG 8 N 4.07 3.73 -0.60 1.98 1.81 -1.26 -0.84 118.95 127.82 3h2e s ARG 8 Ca 0.53 0.01 0.06 0.00 -1.72 0.00 0.00 55.73 54.62 3h2e s ARG 8 Cb -0.15 -3.78 0.28 0.00 -0.45 0.00 0.00 34.95 30.84 3h2e s ARG 8 CO 0.22 -0.63 0.79 0.00 -0.68 0.00 0.00 175.30 175.00 3h2e n GLY 10 N 0.58 2.43 0.21 0.00 0.00 -1.26 -1.27 105.19 105.88 3h2e n GLY 10 Ca 0.30 0.32 0.15 0.00 0.00 0.00 0.00 46.02 46.79 3h2e n GLY 10 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3h2e h GLU 11 N 0.00 0.00 -6.35 1.61 4.11 -2.02 -3.45 114.58 108.49 3h2e h GLU 11 Ca 0.00 0.00 -0.61 0.00 0.07 0.00 0.00 59.36 58.82 3h2e h GLU 11 Cb 0.00 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.14 3h2e h GLU 11 CO 0.00 0.00 -0.66 0.71 0.07 0.00 0.00 179.01 179.13 3h2e s TYR 12 N -3.52 2.85 -0.06 2.06 1.51 -0.39 -5.13 117.35 114.67 3h2e s TYR 12 Ca 0.02 -0.13 0.00 0.00 -1.01 0.00 0.00 57.07 55.96 3h2e s TYR 12 Cb 0.09 -1.39 0.02 0.00 -0.11 0.00 0.00 41.96 40.57 3h2e s TYR 12 CO 0.45 0.51 -0.04 0.99 -1.11 0.00 0.00 175.55 176.35 3h2e s THR 13 N -1.67 0.57 -0.29 -0.71 2.01 -1.26 -1.05 115.64 113.22 3h2e s THR 13 Ca 0.27 -0.09 -0.08 0.00 0.31 0.00 0.00 61.69 62.10 3h2e s THR 13 Cb -0.10 -0.62 -0.01 0.00 0.01 0.00 0.00 72.50 71.79 3h2e s THR 13 CO 0.18 0.25 0.11 -0.76 -0.69 0.00 0.00 174.62 173.72 3h2e s LEU 14 N 1.27 3.90 -0.01 4.42 1.43 -0.02 -4.97 118.68 124.69 3h2e s LEU 14 Ca -0.05 -0.52 -0.30 0.00 -1.03 0.00 0.00 54.13 52.23 3h2e s LEU 14 Cb -0.14 -1.95 -0.04 0.00 0.03 0.00 0.00 46.19 44.10 3h2e s LEU 14 CO -0.02 -0.16 1.16 0.21 0.23 0.00 0.00 176.35 177.77 3h2e s ASN 15 N 1.58 7.11 0.00 2.29 3.84 -1.26 -0.90 114.94 127.60 3h2e s ASN 15 Ca 0.04 1.85 0.26 0.00 0.21 0.00 0.00 52.86 55.22 3h2e s ASN 15 Cb -0.17 -2.57 0.63 0.00 -0.55 0.00 0.00 41.25 38.59 3h2e s ASN 15 CO 0.05 -0.50 1.49 0.18 -2.79 0.00 0.00 177.10 175.53 3h2e n LEU 16 N 4.59 0.64 -0.03 3.21 4.77 -1.26 -4.26 117.00 124.66 3h2e n LEU 16 Ca 0.09 -0.06 0.04 0.00 -0.03 0.00 0.00 56.01 56.05 3h2e n LEU 16 Cb 0.47 -0.22 -0.14 0.00 -2.33 0.00 0.00 43.42 41.20 3h2e n LEU 16 CO 0.55 0.14 -0.82 0.59 -1.33 0.00 0.00 177.39 176.52 3h2e n ASN 17 N -1.23 0.79 0.12 -1.43 3.02 -1.26 -4.68 115.26 110.60 3h2e n ASN 17 Ca 0.08 0.00 -0.18 0.00 -0.03 0.00 0.00 54.58 54.44 3h2e n ASN 17 Cb 0.34 1.57 -0.14 0.00 -0.61 0.00 0.00 39.78 40.93 3h2e n ASN 17 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 3h2e h GLU 18 N 0.00 0.36 -2.42 3.52 4.11 -1.84 -3.47 114.58 114.84 3h2e h GLU 18 Ca -0.14 -0.60 0.02 0.00 0.07 0.00 0.00 59.36 58.71 3h2e h GLU 18 Cb 1.20 0.22 -0.16 0.00 0.50 0.00 0.00 28.75 30.52 3h2e h GLU 18 CO 0.01 1.29 0.33 -1.59 0.07 0.00 0.00 179.01 179.11 3h2e s LYS 19 N -2.66 1.02 0.17 1.06 -2.85 -1.26 -4.90 119.74 110.32 3h2e s LYS 19 Ca -0.05 -0.20 -0.31 0.00 -1.00 0.00 0.00 55.97 54.41 3h2e s LYS 19 Cb 0.06 0.47 -0.09 0.00 -2.06 0.00 0.00 37.83 36.22 3h2e s LYS 19 CO 0.90 -0.41 1.40 0.99 0.10 0.00 0.00 175.35 178.33 3h2e s THR 20 N -2.74 3.08 -0.08 3.79 2.01 -1.26 -4.88 115.64 115.55 3h2e s THR 20 Ca -0.01 0.83 -0.21 0.00 0.31 0.00 0.00 61.69 62.61 3h2e s THR 20 Cb -0.01 -3.53 -0.04 0.00 0.01 0.00 0.00 72.50 68.93 3h2e s THR 20 CO -0.06 0.09 0.59 -0.76 -0.69 0.00 0.00 174.62 173.80 3h2e s LEU 21 N 0.47 4.32 -0.28 4.42 1.43 -0.28 -4.98 118.68 123.78 3h2e s LEU 21 Ca 0.62 1.04 -0.11 0.00 -1.03 0.00 0.00 54.13 54.64 3h2e s LEU 21 Cb -0.38 -2.90 -0.05 0.00 0.03 0.00 0.00 46.19 42.89 3h2e s LEU 21 CO 0.35 -0.03 0.19 -0.63 0.23 0.00 0.00 176.35 176.46 3h2e s ILE 22 N 0.55 5.31 -0.33 -0.59 -1.09 -1.26 -1.34 121.20 122.45 3h2e s ILE 22 Ca 0.32 0.15 -0.09 0.00 -2.23 0.00 0.00 60.65 58.80 3h2e s ILE 22 Cb -0.17 -3.54 0.01 0.00 -1.58 0.00 0.00 42.46 37.18 3h2e s ILE 22 CO 0.15 0.23 0.14 -0.32 -1.23 0.00 0.00 174.94 173.92 3h2e s MET 23 N 1.76 3.07 0.08 2.79 -2.45 0.00 -0.13 119.30 124.43 3h2e s MET 23 Ca 0.07 -0.89 -0.26 0.00 -1.25 0.00 0.00 55.69 53.36 3h2e s MET 23 Cb -0.16 -3.55 -0.06 0.00 1.25 0.00 0.00 34.83 32.31 3h2e s MET 23 CO 0.11 -0.52 0.80 0.20 1.05 0.00 0.00 175.02 176.66 3h2e s GLY 24 N 1.55 2.85 -0.21 2.11 0.00 -0.19 -1.00 107.32 112.43 3h2e s GLY 24 Ca 0.03 0.34 -0.23 0.00 0.00 0.00 0.00 44.72 44.87 3h2e s GLY 24 CO 0.05 1.11 0.72 -0.42 0.00 0.00 0.00 173.10 174.56 3h2e s ILE 25 N -0.24 4.94 -0.29 0.90 1.01 -0.54 -1.27 121.20 125.72 3h2e s ILE 25 Ca 0.39 1.36 -0.03 0.00 0.00 0.00 0.00 60.65 62.37 3h2e s ILE 25 Cb -0.21 -4.02 0.03 0.00 0.01 0.00 0.00 42.46 38.27 3h2e s ILE 25 CO 0.25 0.04 0.01 -0.22 0.00 0.00 0.00 174.94 175.02 3h2e s LEU 26 N 2.24 3.73 -0.14 2.97 2.96 0.65 -4.88 118.68 126.21 3h2e s LEU 26 Ca 0.32 -1.03 -0.07 0.00 -0.22 0.00 0.00 54.13 53.14 3h2e s LEU 26 Cb -0.16 -1.75 -0.04 0.00 0.50 0.00 0.00 46.19 44.74 3h2e s LEU 26 CO 0.10 -0.22 0.10 0.20 -1.32 0.00 0.00 176.35 175.22 3h2e s ASN 27 N 1.34 6.06 0.35 3.68 0.01 -1.26 -1.79 114.94 123.33 3h2e s ASN 27 Ca -0.02 0.32 -0.29 0.00 -0.71 0.00 0.00 52.86 52.17 3h2e s ASN 27 Cb -0.18 -1.96 -0.11 0.00 0.41 0.00 0.00 41.25 39.40 3h2e s ASN 27 CO -0.01 0.33 1.53 0.52 -1.51 0.00 0.00 177.10 177.96 3h2e n VAL 28 N 2.51 1.71 -3.70 1.60 0.31 -1.01 -4.98 118.33 114.77 3h2e n VAL 28 Ca -0.19 -0.43 -0.38 0.00 -0.01 0.00 0.00 64.34 63.34 3h2e n VAL 28 Cb 0.54 -2.00 -0.10 0.00 -0.91 0.00 0.00 33.84 31.37 3h2e n VAL 28 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3h2e s THR 29 N -0.78 3.64 0.31 2.52 2.01 -1.26 -4.99 115.64 117.10 3h2e s THR 29 Ca 0.56 -2.07 -0.29 0.00 0.31 0.00 0.00 61.69 60.21 3h2e s THR 29 Cb -0.48 -3.45 -0.10 0.00 0.01 0.00 0.00 72.50 68.49 3h2e s THR 29 CO 0.59 -0.74 1.22 -2.84 -0.69 0.00 0.00 174.62 172.17 3h2e s PRO 30 N 1.08 4.46 0.21 4.92 0.02 -1.26 -4.65 135.00 139.78 3h2e s PRO 30 Ca 0.08 2.05 -0.30 0.00 0.02 0.00 0.00 61.00 62.85 3h2e s PRO 30 Cb -0.23 -3.11 -0.08 0.00 0.02 0.00 0.00 34.50 31.10 3h2e s PRO 30 CO -0.03 -0.04 0.95 -0.51 -0.33 0.00 0.00 177.00 177.04 3h2e s ASP 31 N -0.65 7.60 0.56 2.53 1.01 -1.26 -4.99 116.67 121.47 3h2e s ASP 31 Ca 0.47 1.93 0.30 0.00 0.71 0.00 0.00 52.55 55.96 3h2e s ASP 31 Cb -0.37 -2.61 1.67 0.00 1.01 0.00 0.00 42.92 42.63 3h2e s ASP 31 CO 0.48 0.10 2.16 0.28 0.21 0.00 0.00 175.17 178.40 3h2e h SER 32 N 4.47 0.00 -0.06 0.27 0.02 -2.05 -3.03 113.55 113.17 3h2e h SER 32 Ca -0.45 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.49 3h2e h SER 32 Cb 1.20 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.73 3h2e h SER 32 CO 0.69 0.06 -0.20 0.49 -1.14 0.00 0.00 176.83 176.73 3h2e n PHE 33 N -3.64 0.19 -4.18 3.45 3.01 -1.26 -5.03 117.46 109.99 3h2e n PHE 33 Ca -0.02 -1.25 -0.11 0.00 1.01 0.00 0.00 57.45 57.08 3h2e n PHE 33 Cb 0.17 -0.24 -0.10 0.00 -0.01 0.00 0.00 39.48 39.30 3h2e n PHE 33 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 3h2e s SER 34 N -2.91 0.94 0.10 4.37 1.04 -1.15 -5.02 113.70 111.08 3h2e s SER 34 Ca 0.36 -1.10 0.25 0.00 0.48 0.00 0.00 55.95 55.95 3h2e s SER 34 Cb 0.33 0.15 0.54 0.00 0.10 0.00 0.00 66.02 67.14 3h2e s SER 34 CO -0.01 -0.56 1.47 -0.90 0.98 0.00 0.00 173.24 174.22 3h2e n ASP 35 N -0.10 0.62 0.00 7.02 3.85 -1.26 -4.75 116.55 121.92 3h2e n ASP 35 Ca -0.09 0.17 0.00 0.00 -0.71 0.00 0.00 54.79 54.15 3h2e n ASP 35 Cb 0.62 -0.05 0.00 0.00 -1.35 0.00 0.00 41.12 40.34 3h2e n ASP 35 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3h2e n GLY 36 N 1.38 3.67 2.17 6.12 0.00 -1.26 -3.84 105.19 113.42 3h2e n GLY 36 Ca 0.04 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.68 3h2e n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h2e n GLY 37 N -1.70 0.82 3.79 -0.02 0.00 -1.25 -4.88 105.19 101.95 3h2e n GLY 37 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 3h2e n GLY 37 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3h2e s SER 38 N -2.72 6.22 0.14 1.61 0.01 -1.26 -4.85 113.70 112.85 3h2e s SER 38 Ca 0.00 2.03 -0.21 0.00 1.31 0.00 0.00 55.95 59.08 3h2e s SER 38 Cb 0.00 -2.57 0.02 0.00 0.21 0.00 0.00 66.02 63.68 3h2e s SER 38 CO 0.00 -0.87 1.66 0.22 0.41 0.00 0.00 173.24 174.66 3h2e h TYR 39 N 1.60 -0.38 -0.48 2.43 3.20 -1.98 -1.30 116.97 120.07 3h2e h TYR 39 Ca -0.49 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.41 3h2e h TYR 39 Cb 1.23 0.20 -0.02 0.00 1.54 0.00 0.00 36.73 39.68 3h2e h TYR 39 CO 0.55 -0.22 0.31 -0.91 -1.64 0.00 0.00 178.16 176.25 3h2e h ASN 40 N -0.14 0.56 0.15 -2.11 2.35 -1.98 0.35 115.58 114.75 3h2e h ASN 40 Ca 0.13 -0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.85 3h2e h ASN 40 Cb 0.33 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.57 3h2e h ASN 40 CO -0.31 0.41 -0.07 -0.08 -1.65 0.00 0.00 177.43 175.73 3h2e h GLU 41 N 0.65 -0.19 -0.24 0.81 4.81 -1.78 -1.62 114.58 117.02 3h2e h GLU 41 Ca 0.17 0.01 -0.19 0.00 -0.13 0.00 0.00 59.36 59.23 3h2e h GLU 41 Cb -0.06 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.37 3h2e h GLU 41 CO -0.04 -0.04 -0.58 0.28 -0.73 0.00 0.00 179.01 177.91 3h2e h VAL 42 N -0.30 1.28 -0.57 0.32 2.07 -0.99 -2.64 116.25 115.42 3h2e h VAL 42 Ca -0.02 -1.77 0.06 0.00 0.82 0.00 0.00 66.70 65.78 3h2e h VAL 42 Cb 0.24 1.76 -0.05 0.00 -1.52 0.00 0.00 31.29 31.72 3h2e h VAL 42 CO 0.03 0.57 0.29 -0.78 0.02 0.00 0.00 177.57 177.70 3h2e h ASP 43 N 0.57 0.40 -0.54 0.57 3.58 -0.35 -0.55 116.42 120.11 3h2e h ASP 43 Ca -0.00 0.04 0.10 0.00 0.42 0.00 0.00 57.03 57.58 3h2e h ASP 43 Cb 1.20 -0.04 -0.08 0.00 1.72 0.00 0.00 39.33 42.13 3h2e h ASP 43 CO 0.13 0.27 0.07 0.00 -2.88 0.00 0.00 179.24 176.82 3h2e h ALA 44 N 1.32 0.58 -0.06 -0.78 0.00 -1.22 -0.79 119.26 118.31 3h2e h ALA 44 Ca 0.26 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.31 3h2e h ALA 44 Cb 0.19 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 3h2e h ALA 44 CO -0.19 -0.34 0.04 0.00 0.00 0.00 0.00 179.25 178.75 3h2e h ALA 45 N 1.45 0.07 -0.40 0.00 0.00 -1.04 -1.88 119.26 117.45 3h2e h ALA 45 Ca 0.28 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3h2e h ALA 45 Cb 0.41 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3h2e h ALA 45 CO -0.40 -0.43 0.25 0.28 0.00 0.00 0.00 179.25 178.96 3h2e h VAL 46 N 0.06 1.12 -0.79 0.00 2.07 -0.91 -0.57 116.25 117.24 3h2e h VAL 46 Ca 0.02 -0.26 -0.04 0.00 0.82 0.00 0.00 66.70 67.24 3h2e h VAL 46 Cb 0.01 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 3h2e h VAL 46 CO -0.00 0.12 0.32 0.03 0.02 0.00 0.00 177.57 178.05 3h2e h ARG 47 N 0.54 1.17 -0.34 1.57 3.08 -1.09 -0.97 114.38 118.35 3h2e h ARG 47 Ca 0.15 -0.21 -0.16 0.00 0.07 0.00 0.00 59.98 59.83 3h2e h ARG 47 Cb -0.02 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 29.83 3h2e h ARG 47 CO -0.03 0.95 -0.42 1.25 -1.07 0.00 0.00 179.97 180.65 3h2e h HIS 48 N 1.15 1.07 -0.94 3.04 2.76 -1.05 -2.07 115.15 119.10 3h2e h HIS 48 Ca 0.26 -0.34 0.01 0.00 -2.20 0.00 0.00 60.37 58.10 3h2e h HIS 48 Cb 0.21 -0.22 -0.05 0.00 1.55 0.00 0.00 27.41 28.91 3h2e h HIS 48 CO 0.02 1.16 0.62 0.00 -1.30 0.00 0.00 177.93 178.43 3h2e h ALA 49 N 0.73 1.34 -0.55 5.26 0.00 -0.83 -1.09 119.26 124.12 3h2e h ALA 49 Ca 0.04 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 3h2e h ALA 49 Cb 1.01 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 3h2e h ALA 49 CO 0.10 0.61 -0.07 0.87 0.00 0.00 0.00 179.25 180.75 3h2e h LYS 50 N 1.26 1.01 -0.35 0.00 1.57 -1.08 -1.26 116.57 117.73 3h2e h LYS 50 Ca 0.35 -0.36 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 3h2e h LYS 50 Cb -0.13 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.09 3h2e h LYS 50 CO -0.08 1.05 0.19 1.49 -0.57 0.00 0.00 179.45 181.52 3h2e h GLU 51 N 0.89 0.49 -0.64 3.15 4.81 -1.13 -1.62 114.58 120.53 3h2e h GLU 51 Ca 0.15 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.27 3h2e h GLU 51 Cb 0.64 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.90 3h2e h GLU 51 CO 0.04 0.41 0.22 0.52 -0.73 0.00 0.00 179.01 179.48 3h2e h MET 52 N 0.43 0.98 -0.29 1.92 2.86 -1.11 -1.97 114.93 117.75 3h2e h MET 52 Ca 0.12 -0.20 0.05 0.00 -2.06 0.00 0.00 59.70 57.61 3h2e h MET 52 Cb 0.07 -0.15 -0.05 0.00 0.06 0.00 0.00 31.60 31.54 3h2e h MET 52 CO -0.02 0.85 -0.00 -0.09 1.06 0.00 0.00 176.91 178.71 3h2e h ARG 53 N 0.92 0.08 0.00 1.72 1.12 -1.14 -1.13 114.38 115.95 3h2e h ARG 53 Ca 0.21 -0.00 -0.03 0.00 -1.11 0.00 0.00 59.98 59.04 3h2e h ARG 53 Cb 0.26 -0.02 -0.00 0.00 -0.01 0.00 0.00 29.97 30.20 3h2e h ARG 53 CO -0.01 0.05 -0.16 -0.44 -3.11 0.00 0.00 179.97 176.30 3h2e h ASP 54 N 0.08 0.00 -0.62 -3.80 3.32 -0.84 -2.66 116.42 111.89 3h2e h ASP 54 Ca 0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.19 3h2e h ASP 54 Cb 0.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.73 3h2e h ASP 54 CO -0.23 0.16 0.00 -1.84 -1.72 0.00 0.00 179.24 175.61 3h2e n GLU 55 N -3.98 2.52 0.00 3.56 0.28 -0.78 -4.96 120.64 117.28 3h2e n GLU 55 Ca -0.02 -2.35 0.00 0.00 -0.16 0.00 0.00 57.16 54.62 3h2e n GLU 55 Cb 0.25 -1.51 0.00 0.00 1.43 0.00 0.00 31.44 31.60 3h2e n GLU 55 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3h2e n GLY 56 N 1.55 1.19 3.77 -1.84 0.00 -0.95 -4.07 105.19 104.84 3h2e n GLY 56 Ca 0.22 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.86 3h2e n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h2e s ALA 57 N -2.00 3.11 -0.25 4.61 0.00 -0.47 -4.69 121.76 122.07 3h2e s ALA 57 Ca 0.00 1.06 0.13 0.00 0.00 0.00 0.00 51.96 53.15 3h2e s ALA 57 Cb 0.00 -3.42 -0.18 0.00 0.00 0.00 0.00 23.12 19.52 3h2e s ALA 57 CO 0.00 -0.71 0.39 0.72 0.00 0.00 0.00 175.76 176.17 3h2e n HIS 58 N -0.14 0.00 -3.80 0.00 8.25 0.82 -4.69 115.22 115.65 3h2e n HIS 58 Ca 0.05 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.39 3h2e n HIS 58 Cb 0.46 -0.18 -0.11 0.00 1.12 0.00 0.00 29.99 31.28 3h2e n HIS 58 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3h2e s ILE 59 N -2.63 0.02 -0.23 1.59 1.01 -0.94 -4.16 121.20 115.86 3h2e s ILE 59 Ca -0.01 -0.17 -0.05 0.00 0.00 0.00 0.00 60.65 60.42 3h2e s ILE 59 Cb 0.09 -0.39 -0.01 0.00 0.01 0.00 0.00 42.46 42.15 3h2e s ILE 59 CO 0.54 -0.09 -0.01 -0.63 0.00 0.00 0.00 174.94 174.75 3h2e s ILE 60 N -0.29 3.65 -0.28 2.92 -1.09 -0.77 -1.02 121.20 124.31 3h2e s ILE 60 Ca -0.04 -0.40 -0.11 0.00 -2.23 0.00 0.00 60.65 57.87 3h2e s ILE 60 Cb -0.03 -2.68 -0.05 0.00 -1.58 0.00 0.00 42.46 38.12 3h2e s ILE 60 CO 0.01 0.40 0.20 -0.62 -1.23 0.00 0.00 174.94 173.70 3h2e s ASP 61 N 1.51 6.04 -0.16 3.58 3.68 -0.39 -1.08 116.67 129.85 3h2e s ASP 61 Ca 0.06 0.02 -0.03 0.00 2.13 0.00 0.00 52.55 54.73 3h2e s ASP 61 Cb -0.14 -2.12 -0.02 0.00 -1.45 0.00 0.00 42.92 39.18 3h2e s ASP 61 CO -0.01 -0.05 -0.07 -0.63 0.13 0.00 0.00 175.17 174.54 3h2e s ILE 62 N 1.71 3.52 -0.07 4.11 1.01 0.03 -0.26 121.20 131.26 3h2e s ILE 62 Ca 0.08 -0.48 0.03 0.00 0.00 0.00 0.00 60.65 60.28 3h2e s ILE 62 Cb -0.16 -2.54 0.01 0.00 0.01 0.00 0.00 42.46 39.78 3h2e s ILE 62 CO 0.10 0.49 -0.16 -0.83 0.00 0.00 0.00 174.94 174.54 3h2e s GLY 63 N 0.61 0.96 0.00 6.18 0.00 -0.74 -1.29 107.32 113.04 3h2e s GLY 63 Ca -0.04 -0.62 0.00 0.00 0.00 0.00 0.00 44.72 44.06 3h2e s GLY 63 CO 0.03 -0.11 0.00 0.61 0.00 0.00 0.00 173.10 173.63 3h2e n GLY 64 N 3.58 -1.05 0.17 0.20 0.00 -1.26 -2.39 105.19 104.44 3h2e n GLY 64 Ca -0.21 -1.66 0.02 0.00 0.00 0.00 0.00 46.02 44.17 3h2e n GLY 64 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3h2e h GLU 65 N 0.00 0.00 0.00 1.61 5.08 -1.94 -3.14 114.58 116.19 3h2e h GLU 65 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3h2e h GLU 65 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3h2e h GLU 65 CO 0.00 0.47 0.00 0.45 -1.00 0.00 0.00 179.01 178.93 3h2e n SER 66 N -3.80 0.00 -4.13 1.42 2.88 -1.26 -1.47 113.62 107.26 3h2e n SER 66 Ca -0.01 0.48 -0.17 0.00 -1.33 0.00 0.00 58.87 57.84 3h2e n SER 66 Cb 0.52 -0.49 0.02 0.00 -0.75 0.00 0.00 64.21 63.51 3h2e n SER 66 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 3h2e n THR 67 N -1.49 0.00 -1.72 2.46 5.66 -1.19 -4.41 114.28 113.59 3h2e n THR 67 Ca 0.06 -1.54 -0.38 0.00 -3.05 0.00 0.00 64.05 59.14 3h2e n THR 67 Cb 0.27 -0.37 0.05 0.00 -1.55 0.00 0.00 70.33 68.74 3h2e n THR 67 CO 0.00 0.00 0.00 -2.11 -3.05 0.00 0.00 175.07 169.91 3h2e n ARG 68 N -1.67 1.45 0.00 1.09 1.85 -1.26 -1.31 116.66 116.81 3h2e n ARG 68 Ca 0.04 0.54 0.13 0.00 -1.00 0.00 0.00 57.85 57.56 3h2e n ARG 68 Cb 0.46 -2.48 0.38 0.00 -1.05 0.00 0.00 32.46 29.76 3h2e n ARG 68 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 177.63 177.27 3h2e n PRO 69 N -1.12 0.10 0.01 2.89 -0.04 -1.26 -4.86 135.00 130.72 3h2e n PRO 69 Ca 0.12 -0.05 -0.08 0.00 -0.04 0.00 0.00 63.50 63.46 3h2e n PRO 69 Cb 0.45 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.29 3h2e n PRO 69 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 3h2e h GLY 70 N 4.99 0.00 -6.68 0.55 0.00 -1.80 -3.48 103.07 96.65 3h2e h GLY 70 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.79 3h2e h GLY 70 CO 0.00 0.00 -0.84 0.69 0.00 0.00 0.00 176.54 176.39 3h2e n PHE 71 N -3.17 -1.75 -1.96 5.60 3.01 -0.43 -4.91 117.46 113.85 3h2e n PHE 71 Ca -0.10 0.79 -0.40 0.00 1.01 0.00 0.00 57.45 58.76 3h2e n PHE 71 Cb 1.00 -3.17 0.00 0.00 -0.01 0.00 0.00 39.48 37.30 3h2e n PHE 71 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3h2e s ALA 72 N -3.44 3.29 -0.43 4.37 0.00 -0.54 -4.93 121.76 120.07 3h2e s ALA 72 Ca 0.58 1.33 -0.27 0.00 0.00 0.00 0.00 51.96 53.60 3h2e s ALA 72 Cb -0.31 -3.53 0.02 0.00 0.00 0.00 0.00 23.12 19.30 3h2e s ALA 72 CO 0.92 -0.95 1.01 0.21 0.00 0.00 0.00 175.76 176.95 3h2e s LYS 73 N -2.28 3.72 -0.08 0.00 2.20 -1.26 -4.14 119.74 117.90 3h2e s LYS 73 Ca 0.57 0.48 -0.08 0.00 -0.36 0.00 0.00 55.97 56.58 3h2e s LYS 73 Cb -0.40 -3.88 0.02 0.00 -1.51 0.00 0.00 37.83 32.06 3h2e s LYS 73 CO 0.52 -1.19 0.23 0.54 -0.36 0.00 0.00 175.35 175.09 3h2e s VAL 74 N 3.93 0.00 0.85 4.02 0.11 -1.26 -5.07 120.40 122.99 3h2e s VAL 74 Ca 0.42 -0.03 -0.11 0.00 -2.93 0.00 0.00 61.98 59.33 3h2e s VAL 74 Cb -0.10 -0.33 0.10 0.00 -1.53 0.00 0.00 36.38 34.53 3h2e s VAL 74 CO 0.26 -0.02 1.09 -0.94 -3.33 0.00 0.00 175.10 172.16 3h2e s SER 75 N 0.05 3.79 0.19 3.54 1.04 -1.26 -4.85 113.70 116.20 3h2e s SER 75 Ca -0.01 1.71 -0.13 0.00 0.48 0.00 0.00 55.95 58.01 3h2e s SER 75 Cb -0.02 -2.37 0.12 0.00 0.10 0.00 0.00 66.02 63.85 3h2e s SER 75 CO 0.00 -2.47 1.83 0.58 0.98 0.00 0.00 173.24 174.16 3h2e h VAL 76 N -1.43 1.08 -0.65 5.02 2.07 -2.01 -1.79 116.25 118.54 3h2e h VAL 76 Ca -0.47 -0.24 0.03 0.00 0.82 0.00 0.00 66.70 66.84 3h2e h VAL 76 Cb 1.26 0.31 -0.04 0.00 -1.52 0.00 0.00 31.29 31.30 3h2e h VAL 76 CO 0.52 0.13 0.40 -0.33 0.02 0.00 0.00 177.57 178.31 3h2e h GLU 77 N 0.71 0.76 -0.44 1.57 5.08 -2.00 -1.49 114.58 118.77 3h2e h GLU 77 Ca 0.23 -0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 58.43 3h2e h GLU 77 Cb -0.00 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.06 3h2e h GLU 77 CO -0.09 0.50 -0.16 0.93 -1.00 0.00 0.00 179.01 179.19 3h2e h GLU 78 N 0.79 0.84 -0.43 2.33 5.08 -1.90 -2.89 114.58 118.39 3h2e h GLU 78 Ca 0.26 -0.31 -0.12 0.00 -1.00 0.00 0.00 59.36 58.19 3h2e h GLU 78 Cb 0.02 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 3h2e h GLU 78 CO -0.11 0.94 -0.21 1.49 -1.00 0.00 0.00 179.01 180.13 3h2e h GLU 79 N 0.75 0.86 -0.64 2.33 4.81 -0.90 -3.07 114.58 118.72 3h2e h GLU 79 Ca 0.11 -0.35 -0.06 0.00 -0.13 0.00 0.00 59.36 58.94 3h2e h GLU 79 Cb 0.68 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.99 3h2e h GLU 79 CO 0.05 0.98 0.15 0.82 -0.73 0.00 0.00 179.01 180.28 3h2e h ILE 80 N 0.75 1.25 -0.29 2.32 2.04 -1.24 -0.76 117.51 121.58 3h2e h ILE 80 Ca 0.10 -0.91 0.03 0.00 1.00 0.00 0.00 64.86 65.08 3h2e h ILE 80 Cb 0.74 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 3h2e h ILE 80 CO 0.06 0.35 0.20 0.11 0.00 0.00 0.00 178.15 178.86 3h2e h LYS 81 N 0.95 0.24 0.05 2.37 1.57 -1.41 -1.75 116.57 118.59 3h2e h LYS 81 Ca 0.20 -0.01 -0.35 0.00 -1.87 0.00 0.00 60.65 58.62 3h2e h LYS 81 Cb 0.34 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.56 3h2e h LYS 81 CO 0.00 0.16 -1.95 -2.13 -0.57 0.00 0.00 179.45 174.96 3h2e n ARG 82 N -4.49 0.66 -0.02 3.15 3.00 -1.09 -3.75 116.66 114.12 3h2e n ARG 82 Ca 0.02 0.33 -0.16 0.00 -0.00 0.00 0.00 57.85 58.04 3h2e n ARG 82 Cb 0.18 -1.66 -0.10 0.00 0.00 0.00 0.00 32.46 30.89 3h2e n ARG 82 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 3h2e h VAL 83 N -0.40 1.41 -0.17 5.15 2.07 -1.14 -3.31 116.25 119.85 3h2e h VAL 83 Ca -0.47 -1.91 0.03 0.00 0.82 0.00 0.00 66.70 65.17 3h2e h VAL 83 Cb 1.74 2.40 -0.03 0.00 -1.52 0.00 0.00 31.29 33.88 3h2e h VAL 83 CO -0.10 0.56 -0.01 0.58 0.02 0.00 0.00 177.57 178.62 3h2e h VAL 84 N -0.05 0.88 -0.65 2.57 2.07 -1.54 -1.79 116.25 117.74 3h2e h VAL 84 Ca -0.05 -0.02 0.12 0.00 0.82 0.00 0.00 66.70 67.58 3h2e h VAL 84 Cb 1.17 0.83 -0.04 0.00 -1.52 0.00 0.00 31.29 31.73 3h2e h VAL 84 CO 0.10 0.01 0.44 -0.65 0.02 0.00 0.00 177.57 177.49 3h2e h PRO 85 N 0.05 0.37 -0.15 1.57 0.11 -1.78 -0.55 132.00 131.61 3h2e h PRO 85 Ca 0.08 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 66.11 3h2e h PRO 85 Cb 0.10 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 31.12 3h2e h PRO 85 CO -0.14 0.25 -0.14 0.52 -0.21 0.00 0.00 178.00 178.28 3h2e h MET 86 N 0.38 0.36 -0.53 1.05 2.86 -1.47 -2.52 114.93 115.06 3h2e h MET 86 Ca 0.31 -0.18 -0.02 0.00 -2.06 0.00 0.00 59.70 57.75 3h2e h MET 86 Cb 0.69 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.33 3h2e h MET 86 CO -0.09 0.73 0.27 0.82 1.06 0.00 0.00 176.91 179.70 3h2e h ILE 87 N -0.01 1.19 -0.21 -1.22 2.04 -1.00 -1.13 117.51 117.17 3h2e h ILE 87 Ca 0.03 -0.51 0.05 0.00 1.00 0.00 0.00 64.86 65.42 3h2e h ILE 87 Cb 0.66 0.56 -0.05 0.00 -0.74 0.00 0.00 36.82 37.26 3h2e h ILE 87 CO 0.03 0.21 -0.08 1.56 0.00 0.00 0.00 178.15 179.87 3h2e h GLN 88 N 0.70 -0.05 -0.17 2.37 4.20 -1.12 -0.30 115.11 120.75 3h2e h GLN 88 Ca 0.18 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.82 3h2e h GLN 88 Cb 0.09 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.88 3h2e h GLN 88 CO -0.03 -0.03 -0.18 0.00 -0.67 0.00 0.00 178.83 177.92 3h2e h ALA 89 N 1.15 0.25 -0.36 3.87 0.00 -1.34 -2.71 119.26 120.11 3h2e h ALA 89 Ca 0.11 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 3h2e h ALA 89 Cb 0.21 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3h2e h ALA 89 CO -0.24 0.17 0.03 0.28 0.00 0.00 0.00 179.25 179.49 3h2e h VAL 90 N 0.07 1.25 -0.19 0.00 2.07 -1.18 -1.17 116.25 117.11 3h2e h VAL 90 Ca 0.03 -0.92 -0.05 0.00 0.82 0.00 0.00 66.70 66.58 3h2e h VAL 90 Cb 0.73 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 3h2e h VAL 90 CO 0.04 0.31 -0.10 0.77 0.02 0.00 0.00 177.57 178.61 3h2e h SER 91 N 0.45 0.27 0.21 0.57 4.64 -1.10 0.21 113.55 118.80 3h2e h SER 91 Ca 0.11 -0.05 -0.24 0.00 -0.47 0.00 0.00 61.79 61.14 3h2e h SER 91 Cb 0.41 -0.07 0.01 0.00 -0.31 0.00 0.00 62.40 62.44 3h2e h SER 91 CO 0.01 0.41 -0.95 0.50 -0.87 0.00 0.00 176.83 175.93 3h2e h LYS 92 N 0.28 0.52 0.00 4.77 3.64 -1.34 -3.38 116.57 121.05 3h2e h LYS 92 Ca 0.06 -0.54 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 3h2e h LYS 92 Cb 0.36 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 3h2e h LYS 92 CO 0.02 1.17 -1.61 0.39 -2.27 0.00 0.00 179.45 177.15 3h2e n GLU 93 N -3.79 0.50 -4.18 1.90 1.02 -0.45 -4.85 120.64 110.79 3h2e n GLU 93 Ca -0.08 -0.11 -0.30 0.00 -0.02 0.00 0.00 57.16 56.65 3h2e n GLU 93 Cb 0.84 -1.56 -0.16 0.00 -0.02 0.00 0.00 31.44 30.53 3h2e n GLU 93 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3h2e s VAL 94 N -3.38 1.62 -1.37 2.62 1.01 0.69 -5.03 120.40 116.56 3h2e s VAL 94 Ca -0.03 -0.68 -0.09 0.00 0.00 0.00 0.00 61.98 61.18 3h2e s VAL 94 Cb 0.14 -1.50 0.10 0.00 0.00 0.00 0.00 36.38 35.12 3h2e s VAL 94 CO 0.88 0.47 2.24 0.29 0.00 0.00 0.00 175.10 178.97 3h2e n LYS 95 N 4.57 3.81 -4.07 2.72 4.76 -1.26 -4.58 118.16 124.11 3h2e n LYS 95 Ca -0.18 -3.18 -0.10 0.00 -2.87 0.00 0.00 58.31 51.98 3h2e n LYS 95 Cb 0.50 -2.87 -0.11 0.00 -1.84 0.00 0.00 35.03 30.71 3h2e n LYS 95 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3h2e s LEU 96 N -0.35 2.35 0.58 -0.35 1.43 -1.26 -5.13 118.68 115.95 3h2e s LEU 96 Ca 0.49 -0.72 -0.20 0.00 -1.03 0.00 0.00 54.13 52.67 3h2e s LEU 96 Cb 0.14 -0.02 -0.04 0.00 0.03 0.00 0.00 46.19 46.31 3h2e s LEU 96 CO -0.05 -0.35 1.28 -0.81 0.23 0.00 0.00 176.35 176.64 3h2e n PRO 97 N 0.92 1.40 -5.03 1.29 -0.04 -1.26 -4.85 135.00 127.43 3h2e n PRO 97 Ca -0.19 0.52 -0.32 0.00 -0.04 0.00 0.00 63.50 63.47 3h2e n PRO 97 Cb 0.57 -2.49 -0.15 0.00 -0.04 0.00 0.00 33.50 31.39 3h2e n PRO 97 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3h2e s ILE 98 N -1.35 2.60 -0.13 0.52 1.01 -1.26 -1.85 121.20 120.74 3h2e s ILE 98 Ca 0.76 -0.86 -0.04 0.00 0.00 0.00 0.00 60.65 60.50 3h2e s ILE 98 Cb -0.41 -2.01 -0.03 0.00 0.01 0.00 0.00 42.46 40.01 3h2e s ILE 98 CO 0.46 0.56 0.02 -0.55 0.00 0.00 0.00 174.94 175.44 3h2e s SER 99 N -0.14 5.36 -0.27 3.58 0.15 -0.24 0.24 113.70 122.38 3h2e s SER 99 Ca -0.03 0.10 -0.12 0.00 0.70 0.00 0.00 55.95 56.60 3h2e s SER 99 Cb -0.14 -1.72 -0.05 0.00 -1.71 0.00 0.00 66.02 62.41 3h2e s SER 99 CO 0.04 0.29 0.25 -0.51 1.20 0.00 0.00 173.24 174.50 3h2e s ILE 100 N -0.32 5.27 -0.74 6.45 1.10 0.14 -0.79 121.20 132.31 3h2e s ILE 100 Ca 0.07 0.30 -0.19 0.00 -0.51 0.00 0.00 60.65 60.32 3h2e s ILE 100 Cb -0.12 -3.58 0.11 0.00 0.15 0.00 0.00 42.46 39.02 3h2e s ILE 100 CO 0.02 0.23 0.91 -0.62 -2.11 0.00 0.00 174.94 173.37 3h2e s ASP 101 N 1.66 6.37 -0.02 4.50 3.68 -0.41 -0.79 116.67 131.66 3h2e s ASP 101 Ca 0.10 -1.62 -0.25 0.00 2.13 0.00 0.00 52.55 52.91 3h2e s ASP 101 Cb -0.16 -2.36 0.05 0.00 -1.45 0.00 0.00 42.92 39.01 3h2e s ASP 101 CO 0.10 -1.14 0.55 0.28 0.13 0.00 0.00 175.17 175.09 3h2e s THR 102 N 2.84 0.02 -2.12 1.71 -1.32 -0.62 -4.49 115.64 111.65 3h2e s THR 102 Ca 0.21 -0.18 0.19 0.00 -1.21 0.00 0.00 61.69 60.71 3h2e s THR 102 Cb -0.15 -0.89 0.09 0.00 -1.51 0.00 0.00 72.50 70.04 3h2e s THR 102 CO 0.01 -0.10 1.04 0.00 -2.21 0.00 0.00 174.62 173.36 3h2e n TYR 103 N 0.91 0.00 -3.25 9.09 0.18 -1.26 -4.06 117.16 118.77 3h2e n TYR 103 Ca -0.20 0.00 -0.39 0.00 1.88 0.00 0.00 57.90 59.20 3h2e n TYR 103 Cb 0.57 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 39.47 3h2e n TYR 103 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 3h2e s LYS 104 N -1.80 4.28 0.26 -3.48 1.02 -1.26 -4.17 119.74 114.58 3h2e s LYS 104 Ca 0.20 0.47 -0.03 0.00 0.02 0.00 0.00 55.97 56.63 3h2e s LYS 104 Cb 0.16 -3.50 0.33 0.00 -0.52 0.00 0.00 37.83 34.30 3h2e s LYS 104 CO 0.33 -0.00 1.82 0.00 -0.92 0.00 0.00 175.35 176.57 3h2e h ALA 105 N 7.08 1.17 -0.14 5.17 0.00 -1.91 -2.05 119.26 128.57 3h2e h ALA 105 Ca -0.37 -0.20 -0.19 0.00 0.00 0.00 0.00 54.91 54.15 3h2e h ALA 105 Cb 1.17 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 3h2e h ALA 105 CO 0.75 0.58 -0.69 1.49 0.00 0.00 0.00 179.25 181.38 3h2e h GLU 106 N 0.92 0.59 -0.35 0.00 4.57 -1.95 -1.84 114.58 116.52 3h2e h GLU 106 Ca 0.21 -0.44 0.00 0.00 -1.18 0.00 0.00 59.36 57.95 3h2e h GLU 106 Cb 0.26 0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.91 3h2e h GLU 106 CO -0.01 1.07 0.23 0.28 -1.18 0.00 0.00 179.01 179.39 3h2e h VAL 107 N 0.42 1.08 -0.35 0.32 2.07 -1.87 -1.77 116.25 116.15 3h2e h VAL 107 Ca -0.02 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.34 3h2e h VAL 107 Cb 1.27 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.60 3h2e h VAL 107 CO 0.13 0.09 0.23 0.00 0.02 0.00 0.00 177.57 178.03 3h2e h ALA 108 N 1.13 0.45 0.25 1.67 0.00 -1.32 0.55 119.26 121.99 3h2e h ALA 108 Ca 0.13 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3h2e h ALA 108 Cb -0.05 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 3h2e h ALA 108 CO -0.03 -0.08 -0.15 -0.22 0.00 0.00 0.00 179.25 178.77 3h2e h LYS 109 N 0.47 -0.37 -0.59 0.00 3.64 -1.20 -0.13 116.57 118.39 3h2e h LYS 109 Ca 0.13 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 3h2e h LYS 109 Cb -0.04 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.83 3h2e h LYS 109 CO -0.03 -0.24 0.38 1.96 -2.27 0.00 0.00 179.45 179.25 3h2e h GLN 110 N -0.38 0.78 -0.38 1.90 1.08 -1.22 -1.19 115.11 115.69 3h2e h GLN 110 Ca -0.03 -0.05 -0.05 0.00 -1.45 0.00 0.00 58.65 57.07 3h2e h GLN 110 Cb 0.31 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 27.55 3h2e h GLN 110 CO 0.03 0.53 0.05 0.00 -0.95 0.00 0.00 178.83 178.49 3h2e h ALA 111 N 1.62 0.51 -0.45 3.87 0.00 -0.53 -0.23 119.26 124.04 3h2e h ALA 111 Ca 0.21 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3h2e h ALA 111 Cb -0.07 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3h2e h ALA 111 CO -0.04 0.23 0.16 0.82 0.00 0.00 0.00 179.25 180.42 3h2e h ILE 112 N 0.48 1.21 -0.44 0.00 2.04 -0.66 -1.25 117.51 118.90 3h2e h ILE 112 Ca 0.11 -0.68 0.05 0.00 1.00 0.00 0.00 64.86 65.34 3h2e h ILE 112 Cb 0.39 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 3h2e h ILE 112 CO 0.01 0.25 0.29 -0.33 0.00 0.00 0.00 178.15 178.37 3h2e h GLU 113 N 0.59 0.39 0.00 2.37 4.39 -1.05 -0.95 114.58 120.32 3h2e h GLU 113 Ca 0.15 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.82 3h2e h GLU 113 Cb 0.23 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 3h2e h GLU 113 CO -0.01 0.26 -0.03 0.00 -1.16 0.00 0.00 179.01 178.07 3h2e n ALA 114 N -2.51 2.39 0.00 3.43 0.00 -0.11 -4.90 120.51 118.81 3h2e n ALA 114 Ca 0.05 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.39 3h2e n ALA 114 Cb 0.21 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.21 3h2e n ALA 114 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h2e n GLY 115 N 1.48 0.35 3.78 0.00 0.00 -0.36 -3.92 105.19 106.52 3h2e n GLY 115 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 3h2e n GLY 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h2e s ALA 116 N -1.27 2.58 -0.01 4.61 0.00 -0.54 -4.77 121.76 122.36 3h2e s ALA 116 Ca 0.00 0.48 0.05 0.00 0.00 0.00 0.00 51.96 52.49 3h2e s ALA 116 Cb 0.00 -3.28 -0.07 0.00 0.00 0.00 0.00 23.12 19.77 3h2e s ALA 116 CO 0.00 -1.10 0.10 0.72 0.00 0.00 0.00 175.76 175.48 3h2e n HIS 117 N -2.28 0.00 -3.87 0.00 -0.00 0.14 -4.53 115.22 104.68 3h2e n HIS 117 Ca 0.10 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.70 3h2e n HIS 117 Cb 0.52 -0.11 -0.12 0.00 -0.00 0.00 0.00 29.99 30.28 3h2e n HIS 117 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 3h2e s ILE 118 N -2.32 0.03 -0.18 1.59 1.01 -0.61 -4.08 121.20 116.64 3h2e s ILE 118 Ca -0.02 -0.25 -0.07 0.00 0.00 0.00 0.00 60.65 60.32 3h2e s ILE 118 Cb 0.03 -0.20 -0.04 0.00 0.01 0.00 0.00 42.46 42.26 3h2e s ILE 118 CO 0.19 -0.14 0.05 -0.63 0.00 0.00 0.00 174.94 174.42 3h2e s ILE 119 N -0.41 4.67 -0.33 2.92 1.01 -0.51 -0.68 121.20 127.87 3h2e s ILE 119 Ca -0.05 -0.08 0.02 0.00 0.00 0.00 0.00 60.65 60.54 3h2e s ILE 119 Cb -0.03 -3.10 0.09 0.00 0.01 0.00 0.00 42.46 39.43 3h2e s ILE 119 CO 0.00 0.46 0.04 0.21 0.00 0.00 0.00 174.94 175.65 3h2e s ASN 120 N 0.42 4.80 -0.32 3.58 2.47 0.03 -0.38 114.94 125.55 3h2e s ASN 120 Ca 0.02 -1.88 -0.04 0.00 0.42 0.00 0.00 52.86 51.38 3h2e s ASN 120 Cb -0.13 -1.66 0.05 0.00 -1.45 0.00 0.00 41.25 38.06 3h2e s ASN 120 CO 0.01 -0.36 0.06 -0.62 -3.72 0.00 0.00 177.10 172.47 3h2e s ASP 121 N 1.15 5.12 0.12 -4.21 3.68 -0.60 -1.60 116.67 120.33 3h2e s ASP 121 Ca 0.05 -1.24 0.16 0.00 2.13 0.00 0.00 52.55 53.65 3h2e s ASP 121 Cb -0.20 -1.79 0.72 0.00 -1.45 0.00 0.00 42.92 40.19 3h2e s ASP 121 CO -0.06 -0.31 1.51 2.30 0.13 0.00 0.00 175.17 178.74 3h2e n ILE 122 N 4.72 1.08 0.66 4.11 -5.35 -1.26 -1.93 119.36 121.38 3h2e n ILE 122 Ca -0.12 0.32 0.09 0.00 -0.27 0.00 0.00 62.75 62.77 3h2e n ILE 122 Cb 0.44 -1.19 0.08 0.00 -1.74 0.00 0.00 39.64 37.22 3h2e n ILE 122 CO 0.00 0.00 0.00 0.79 -1.76 0.00 0.00 176.55 175.58 3h2e n TRP 123 N -1.83 0.04 -3.72 4.28 7.02 -1.26 -4.51 117.44 117.46 3h2e n TRP 123 Ca 0.02 -0.03 -0.24 0.00 -1.02 0.00 0.00 57.50 56.24 3h2e n TRP 123 Cb 0.15 -0.00 0.04 0.00 -2.42 0.00 0.00 31.31 29.09 3h2e n TRP 123 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3h2e n GLY 124 N 0.98 -0.38 2.70 6.99 0.00 -0.81 -1.92 105.19 112.74 3h2e n GLY 124 Ca 0.11 0.15 -0.01 0.00 0.00 0.00 0.00 46.02 46.27 3h2e n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h2e n ALA 125 N -4.44 -0.01 -0.01 4.61 0.00 -1.26 -4.61 120.51 114.79 3h2e n ALA 125 Ca -0.18 0.01 -0.03 0.00 0.00 0.00 0.00 53.44 53.25 3h2e n ALA 125 Cb 0.62 -1.11 -0.12 0.00 0.00 0.00 0.00 19.45 18.85 3h2e n ALA 125 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3h2e n LYS 126 N -0.27 0.64 -0.00 0.00 5.02 -0.81 -3.03 118.16 119.70 3h2e n LYS 126 Ca -0.01 0.17 -0.13 0.00 -2.02 0.00 0.00 58.31 56.32 3h2e n LYS 126 Cb 0.37 -1.73 -0.10 0.00 -0.02 0.00 0.00 35.03 33.54 3h2e n LYS 126 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3h2e h ALA 127 N 1.30 -0.05 -2.88 7.82 0.00 -1.89 -3.40 119.26 120.15 3h2e h ALA 127 Ca -0.25 -0.27 -0.59 0.00 0.00 0.00 0.00 54.91 53.80 3h2e h ALA 127 Cb 1.76 0.02 -0.40 0.00 0.00 0.00 0.00 17.79 19.17 3h2e h ALA 127 CO 0.05 -0.25 -0.78 -1.21 0.00 0.00 0.00 179.25 177.06 3h2e s GLU 128 N -3.93 0.90 0.59 0.00 2.02 -1.26 -5.01 118.70 112.02 3h2e s GLU 128 Ca -0.16 -1.56 0.29 0.00 0.02 0.00 0.00 54.97 53.56 3h2e s GLU 128 Cb 0.01 -1.90 1.39 0.00 0.10 0.00 0.00 34.13 33.74 3h2e s GLU 128 CO 0.64 -1.14 1.79 -1.35 0.02 0.00 0.00 175.26 175.23 3h2e h PRO 129 N 7.13 0.00 0.00 0.39 0.11 -1.77 -0.86 132.00 137.00 3h2e h PRO 129 Ca -0.02 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.09 3h2e h PRO 129 Cb 0.96 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.07 3h2e h PRO 129 CO 0.41 0.00 -0.00 0.87 -0.21 0.00 0.00 178.00 179.07 3h2e h LYS 130 N 0.00 0.00 0.00 1.05 1.57 -1.95 -2.11 116.57 115.13 3h2e h LYS 130 Ca 0.27 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.04 3h2e h LYS 130 Cb 1.52 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.83 3h2e h LYS 130 CO -0.00 0.00 -0.07 0.97 -0.57 0.00 0.00 179.45 179.77 3h2e h ILE 131 N 0.00 0.89 0.00 1.86 2.10 -1.49 -1.27 117.51 119.60 3h2e h ILE 131 Ca -0.00 -0.27 -0.16 0.00 1.08 0.00 0.00 64.86 65.51 3h2e h ILE 131 Cb 0.00 1.15 -0.02 0.00 -1.09 0.00 0.00 36.82 36.86 3h2e h ILE 131 CO 0.00 0.07 -0.74 0.00 -1.08 0.00 0.00 178.15 176.40 3h2e h ALA 132 N 1.93 0.73 -0.38 0.18 0.00 -1.60 -1.03 119.26 119.07 3h2e h ALA 132 Ca -0.00 -0.68 -0.12 0.00 0.00 0.00 0.00 54.91 54.12 3h2e h ALA 132 Cb 0.15 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3h2e h ALA 132 CO 0.01 0.93 -0.21 0.93 0.00 0.00 0.00 179.25 180.91 3h2e h GLU 133 N 0.00 0.82 -0.20 0.00 5.08 -1.39 -0.87 114.58 118.02 3h2e h GLU 133 Ca -0.01 -0.37 0.03 0.00 -1.00 0.00 0.00 59.36 58.02 3h2e h GLU 133 Cb 1.35 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.55 3h2e h GLU 133 CO 0.10 1.00 -0.01 0.28 -1.00 0.00 0.00 179.01 179.38 3h2e h VAL 134 N 0.62 0.85 -0.56 3.13 2.07 -1.14 -0.30 116.25 120.93 3h2e h VAL 134 Ca 0.08 -0.02 -0.02 0.00 0.82 0.00 0.00 66.70 67.57 3h2e h VAL 134 Cb 0.77 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 3h2e h VAL 134 CO 0.06 0.01 0.29 0.00 0.02 0.00 0.00 177.57 177.95 3h2e h ALA 135 N 1.17 0.72 -0.66 1.67 0.00 -1.10 -2.18 119.26 118.89 3h2e h ALA 135 Ca 0.09 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 3h2e h ALA 135 Cb 0.12 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3h2e h ALA 135 CO -0.16 0.27 0.11 0.00 0.00 0.00 0.00 179.25 179.46 3h2e h ALA 136 N 1.12 0.87 -0.31 0.00 0.00 -0.91 -1.48 119.26 118.55 3h2e h ALA 136 Ca 0.19 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3h2e h ALA 136 Cb 0.09 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3h2e h ALA 136 CO -0.03 0.63 0.12 1.25 0.00 0.00 0.00 179.25 181.23 3h2e h HIS 137 N 1.00 0.48 -0.00 0.00 6.17 -0.77 -2.97 115.15 119.07 3h2e h HIS 137 Ca 0.20 -0.04 0.00 0.00 0.71 0.00 0.00 60.37 61.24 3h2e h HIS 137 Cb 0.44 -0.14 0.00 0.00 2.52 0.00 0.00 27.41 30.22 3h2e h HIS 137 CO 0.03 0.47 -0.12 0.66 0.71 0.00 0.00 177.93 179.69 3h2e n TYR 138 N -4.71 0.00 -3.52 5.26 4.01 -0.84 -4.93 117.16 112.42 3h2e n TYR 138 Ca -0.02 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.50 3h2e n TYR 138 Cb 0.14 -0.27 0.07 0.00 -0.31 0.00 0.00 39.34 38.98 3h2e n TYR 138 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3h2e n ASP 139 N -1.18 -6.09 -4.78 7.72 4.64 -0.58 -5.01 116.55 111.26 3h2e n ASP 139 Ca 0.12 -0.50 -0.29 0.00 -1.38 0.00 0.00 54.79 52.73 3h2e n ASP 139 Cb 0.29 -4.73 -0.06 0.00 -1.04 0.00 0.00 41.12 35.58 3h2e n ASP 139 CO 0.00 0.00 0.00 0.68 -0.82 0.00 0.00 177.20 177.06 3h2e s VAL 140 N -3.30 4.54 0.49 5.18 -7.23 -1.03 -4.96 120.40 114.09 3h2e s VAL 140 Ca 0.55 -0.83 -0.24 0.00 -1.81 0.00 0.00 61.98 59.65 3h2e s VAL 140 Cb -0.24 -3.22 -0.07 0.00 0.56 0.00 0.00 36.38 33.41 3h2e s VAL 140 CO 0.68 0.07 1.41 -2.84 -0.31 0.00 0.00 175.10 174.11 3h2e s PRO 141 N -2.57 3.43 -0.04 4.82 0.02 -1.26 -4.81 135.00 134.60 3h2e s PRO 141 Ca 0.30 2.36 0.03 0.00 0.02 0.00 0.00 61.00 63.71 3h2e s PRO 141 Cb -0.12 -2.48 0.00 0.00 0.02 0.00 0.00 34.50 31.93 3h2e s PRO 141 CO 0.22 -1.00 -0.13 -1.50 -0.33 0.00 0.00 177.00 174.27 3h2e s ILE 142 N -1.24 1.09 -0.26 2.83 2.07 0.07 -1.42 121.20 124.34 3h2e s ILE 142 Ca 0.66 -0.51 -0.13 0.00 -1.41 0.00 0.00 60.65 59.26 3h2e s ILE 142 Cb -0.43 -0.96 -0.05 0.00 0.13 0.00 0.00 42.46 41.16 3h2e s ILE 142 CO 0.53 0.33 0.26 -0.63 -1.91 0.00 0.00 174.94 173.52 3h2e s ILE 143 N 0.23 5.27 -0.37 2.00 1.01 0.49 -1.41 121.20 128.43 3h2e s ILE 143 Ca -0.06 0.35 -0.11 0.00 0.00 0.00 0.00 60.65 60.83 3h2e s ILE 143 Cb -0.11 -3.59 0.02 0.00 0.01 0.00 0.00 42.46 38.79 3h2e s ILE 143 CO 0.02 0.25 0.21 -0.76 0.00 0.00 0.00 174.94 174.66 3h2e s LEU 144 N 1.62 4.70 0.13 2.97 1.43 0.07 -1.56 118.68 128.05 3h2e s LEU 144 Ca 0.11 -0.92 -0.17 0.00 -1.03 0.00 0.00 54.13 52.12 3h2e s LEU 144 Cb -0.15 -2.04 -0.07 0.00 0.03 0.00 0.00 46.19 43.96 3h2e s LEU 144 CO 0.09 -0.37 0.59 -0.32 0.23 0.00 0.00 176.35 176.56 3h2e s MET 145 N 1.58 4.11 0.13 1.70 1.75 -0.87 -1.91 119.30 125.79 3h2e s MET 145 Ca 0.03 0.65 -0.31 0.00 -1.25 0.00 0.00 55.69 54.80 3h2e s MET 145 Cb -0.19 -3.04 -0.09 0.00 2.84 0.00 0.00 34.83 34.36 3h2e s MET 145 CO 0.07 0.52 1.53 -1.58 -0.65 0.00 0.00 175.02 174.91 3h2e s HIS 146 N -1.34 3.00 0.17 4.11 2.46 0.40 -3.61 115.29 120.48 3h2e s HIS 146 Ca 0.35 0.67 -0.18 0.00 0.47 0.00 0.00 55.06 56.38 3h2e s HIS 146 Cb -0.17 -3.86 0.04 0.00 -0.13 0.00 0.00 32.58 28.46 3h2e s HIS 146 CO 0.19 -3.18 0.49 1.21 -2.47 0.00 0.00 174.74 170.99 3h2e s ASN 147 N 1.37 -0.29 -0.03 9.88 3.84 -1.26 -4.19 114.94 124.26 3h2e s ASN 147 Ca 0.69 -0.37 -0.28 0.00 0.21 0.00 0.00 52.86 53.11 3h2e s ASN 147 Cb -0.41 0.55 0.06 0.00 -0.55 0.00 0.00 41.25 40.90 3h2e s ASN 147 CO 0.31 -0.98 0.61 -0.13 -2.79 0.00 0.00 177.10 174.13 3h2e s ARG 148 N -3.84 1.01 0.09 0.43 0.52 -1.26 -5.05 118.95 110.85 3h2e s ARG 148 Ca 0.06 0.13 0.01 0.00 -0.52 0.00 0.00 55.73 55.41 3h2e s ARG 148 Cb -0.00 0.47 -0.25 0.00 0.52 0.00 0.00 34.95 35.69 3h2e s ARG 148 CO -0.07 -0.32 1.19 -0.44 0.02 0.00 0.00 175.30 175.68 3h2e h ASP 149 N 3.07 0.23 -0.50 0.23 3.32 -2.01 -3.43 116.42 117.32 3h2e h ASP 149 Ca -0.28 -0.25 -0.57 0.00 0.02 0.00 0.00 57.03 55.96 3h2e h ASP 149 Cb 1.16 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 40.60 3h2e h ASP 149 CO 0.39 1.19 -0.24 0.54 -1.72 0.00 0.00 179.24 179.41 3h2e s ASN 150 N -6.93 4.70 -0.02 6.45 2.20 -1.26 -5.06 114.94 115.02 3h2e s ASN 150 Ca -0.02 -1.21 0.03 0.00 -0.94 0.00 0.00 52.86 50.72 3h2e s ASN 150 Cb 0.08 0.51 0.04 0.00 -2.00 0.00 0.00 41.25 39.89 3h2e s ASN 150 CO 0.85 -1.23 0.82 0.23 -2.94 0.00 0.00 177.10 174.84 3h2e n MET 151 N -1.92 0.83 -2.78 3.55 2.81 -1.26 -4.91 117.12 113.44 3h2e n MET 151 Ca 0.02 -1.12 -0.43 0.00 -1.81 0.00 0.00 57.70 54.37 3h2e n MET 151 Cb 0.64 -0.74 -0.03 0.00 -0.71 0.00 0.00 33.22 32.37 3h2e n MET 151 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 3h2e s ASN 152 N -0.85 6.31 -0.07 7.83 4.22 -1.26 -5.00 114.94 126.12 3h2e s ASN 152 Ca 0.04 -1.19 -0.16 0.00 -2.14 0.00 0.00 52.86 49.41 3h2e s ASN 152 Cb 0.04 -2.46 -0.05 0.00 1.28 0.00 0.00 41.25 40.06 3h2e s ASN 152 CO 0.00 -1.44 0.42 -0.31 -2.04 0.00 0.00 177.10 173.74 3h2e s TYR 153 N 4.16 3.61 0.03 1.54 1.51 -1.26 -4.99 117.35 121.95 3h2e s TYR 153 Ca 0.30 0.90 -0.21 0.00 -1.01 0.00 0.00 57.07 57.05 3h2e s TYR 153 Cb -0.11 -2.41 -0.16 0.00 -0.11 0.00 0.00 41.96 39.18 3h2e s TYR 153 CO 0.04 0.40 1.30 -0.09 -1.11 0.00 0.00 175.55 176.09 3h2e h ARG 154 N 5.79 0.34 -1.80 -0.62 2.43 -2.01 -3.44 114.38 115.07 3h2e h ARG 154 Ca -0.46 -0.20 -0.15 0.00 -0.81 0.00 0.00 59.98 58.36 3h2e h ARG 154 Cb 1.20 0.02 -0.29 0.00 -0.42 0.00 0.00 29.97 30.47 3h2e h ARG 154 CO 0.69 0.77 -0.49 1.21 -1.51 0.00 0.00 179.97 180.65 3h2e s ASN 155 N -6.17 0.23 0.14 -3.80 3.84 -1.26 -5.08 114.94 102.84 3h2e s ASN 155 Ca -0.14 0.06 -0.25 0.00 0.21 0.00 0.00 52.86 52.75 3h2e s ASN 155 Cb 0.05 1.15 0.00 0.00 -0.55 0.00 0.00 41.25 41.90 3h2e s ASN 155 CO 0.76 -0.32 1.61 0.25 -2.79 0.00 0.00 177.10 176.61 3h2e h LEU 156 N 8.17 -0.96 -0.39 3.21 5.85 -1.99 0.17 115.31 129.37 3h2e h LEU 156 Ca -0.16 0.15 -0.08 0.00 0.84 0.00 0.00 57.88 58.63 3h2e h LEU 156 Cb 1.14 0.42 -0.01 0.00 0.37 0.00 0.00 40.66 42.59 3h2e h LEU 156 CO 0.27 -0.34 -0.07 0.24 -0.34 0.00 0.00 178.44 178.20 3h2e h MET 157 N -0.34 0.73 -0.54 1.25 2.86 -1.98 0.25 114.93 117.16 3h2e h MET 157 Ca 0.12 -0.27 -0.00 0.00 -2.06 0.00 0.00 59.70 57.48 3h2e h MET 157 Cb 0.53 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.11 3h2e h MET 157 CO -0.39 0.87 0.32 0.00 1.06 0.00 0.00 176.91 178.77 3h2e h ALA 158 N 0.85 0.69 -0.65 6.32 0.00 -1.91 -1.88 119.26 122.68 3h2e h ALA 158 Ca 0.10 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 3h2e h ALA 158 Cb 0.58 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3h2e h ALA 158 CO 0.03 0.19 0.10 -0.44 0.00 0.00 0.00 179.25 179.14 3h2e h ASP 159 N 0.73 1.04 -0.55 0.00 3.32 -0.50 -1.83 116.42 118.63 3h2e h ASP 159 Ca 0.19 -0.26 0.01 0.00 0.02 0.00 0.00 57.03 56.99 3h2e h ASP 159 Cb 0.00 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.25 3h2e h ASP 159 CO -0.04 1.04 0.36 0.24 -1.72 0.00 0.00 179.24 179.12 3h2e h MET 160 N 1.00 0.71 -0.49 3.56 2.86 -0.72 -1.05 114.93 120.80 3h2e h MET 160 Ca 0.20 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.76 3h2e h MET 160 Cb 0.44 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.92 3h2e h MET 160 CO 0.01 0.47 0.18 0.82 1.06 0.00 0.00 176.91 179.45 3h2e h ILE 161 N 0.73 1.22 -0.64 -1.22 2.04 -1.19 -0.08 117.51 118.37 3h2e h ILE 161 Ca 0.21 -0.71 -0.00 0.00 1.00 0.00 0.00 64.86 65.36 3h2e h ILE 161 Cb -0.07 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 36.75 3h2e h ILE 161 CO -0.05 0.26 0.39 0.00 0.00 0.00 0.00 178.15 178.75 3h2e h ALA 162 N 1.03 0.82 -0.55 1.87 0.00 -1.18 0.20 119.26 121.44 3h2e h ALA 162 Ca 0.16 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 3h2e h ALA 162 Cb 0.23 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3h2e h ALA 162 CO -0.01 0.29 0.16 -0.44 0.00 0.00 0.00 179.25 179.25 3h2e h ASP 163 N 0.87 0.82 -0.47 0.00 3.32 -0.94 -1.31 116.42 118.71 3h2e h ASP 163 Ca 0.23 -0.22 -0.09 0.00 0.02 0.00 0.00 57.03 56.98 3h2e h ASP 163 Cb -0.03 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.29 3h2e h ASP 163 CO -0.04 0.82 -0.01 -0.07 -1.72 0.00 0.00 179.24 178.22 3h2e h LEU 164 N 0.77 0.88 -0.72 1.55 3.38 -0.83 -2.38 115.31 117.96 3h2e h LEU 164 Ca 0.18 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 57.92 3h2e h LEU 164 Cb 0.31 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 3h2e h LEU 164 CO -0.00 0.95 0.48 0.22 0.09 0.00 0.00 178.44 180.17 3h2e h TYR 165 N 0.83 0.91 -0.80 1.13 3.20 -0.60 -0.63 116.97 121.01 3h2e h TYR 165 Ca 0.15 0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.10 3h2e h TYR 165 Cb 0.51 -0.31 -0.05 0.00 1.54 0.00 0.00 36.73 38.43 3h2e h TYR 165 CO 0.03 0.57 0.53 -0.44 -1.64 0.00 0.00 178.16 177.21 3h2e h ASP 166 N 0.98 0.78 0.04 -2.11 3.32 -0.98 0.48 116.42 118.94 3h2e h ASP 166 Ca 0.26 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.31 3h2e h ASP 166 Cb -0.11 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.27 3h2e h ASP 166 CO -0.06 0.51 -0.02 0.28 -1.72 0.00 0.00 179.24 178.23 3h2e h SER 167 N 0.90 -0.05 -0.94 6.45 0.02 -0.86 -2.41 113.55 116.65 3h2e h SER 167 Ca 0.34 -0.17 0.08 0.00 -0.84 0.00 0.00 61.79 61.20 3h2e h SER 167 Cb 0.20 0.01 -0.07 0.00 0.14 0.00 0.00 62.40 62.68 3h2e h SER 167 CO -0.12 0.14 0.59 0.40 -1.14 0.00 0.00 176.83 176.71 3h2e h ILE 168 N -0.24 1.02 -0.60 3.27 2.04 -0.63 -0.76 117.51 121.61 3h2e h ILE 168 Ca -0.01 -0.36 -0.03 0.00 1.00 0.00 0.00 64.86 65.46 3h2e h ILE 168 Cb 0.22 -0.11 -0.03 0.00 -0.74 0.00 0.00 36.82 36.16 3h2e h ILE 168 CO 0.01 0.19 0.25 0.50 0.00 0.00 0.00 178.15 179.10 3h2e h LYS 169 N 1.04 0.90 -0.47 2.37 3.64 -0.92 0.99 116.57 124.12 3h2e h LYS 169 Ca 0.43 -0.16 0.01 0.00 -1.27 0.00 0.00 60.65 59.66 3h2e h LYS 169 Cb 0.25 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.89 3h2e h LYS 169 CO -0.20 0.76 0.30 0.82 -2.27 0.00 0.00 179.45 178.86 3h2e h ILE 170 N 0.84 1.08 0.02 2.00 2.04 -0.87 -1.56 117.51 121.06 3h2e h ILE 170 Ca 0.20 -0.21 -0.00 0.00 1.00 0.00 0.00 64.86 65.85 3h2e h ILE 170 Cb 0.19 0.43 0.00 0.00 -0.74 0.00 0.00 36.82 36.70 3h2e h ILE 170 CO -0.02 0.11 -0.01 0.00 0.00 0.00 0.00 178.15 178.23 3h2e h ALA 171 N 1.19 -0.03 -0.85 1.87 0.00 -0.87 -2.84 119.26 117.74 3h2e h ALA 171 Ca 0.18 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3h2e h ALA 171 Cb -0.03 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 3h2e h ALA 171 CO -0.06 -0.46 0.50 0.87 0.00 0.00 0.00 179.25 180.10 3h2e h LYS 172 N -0.15 1.16 0.00 0.00 1.79 -0.76 -1.87 116.57 116.74 3h2e h LYS 172 Ca -0.00 -0.11 -0.02 0.00 -2.18 0.00 0.00 60.65 58.33 3h2e h LYS 172 Cb 0.14 -0.24 -0.00 0.00 -1.58 0.00 0.00 32.23 30.55 3h2e h LYS 172 CO 0.01 0.83 -0.10 -0.44 -1.08 0.00 0.00 179.45 178.66 3h2e h ASP 173 N 1.17 0.00 0.25 0.86 3.45 -1.25 0.20 116.42 121.10 3h2e h ASP 173 Ca 0.30 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.76 3h2e h ASP 173 Cb -0.03 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.74 3h2e h ASP 173 CO -0.05 0.10 -0.12 0.00 -1.57 0.00 0.00 179.24 177.60 3h2e n ALA 174 N -2.44 2.80 -0.05 3.45 0.00 -0.77 -4.93 120.51 118.57 3h2e n ALA 174 Ca -0.03 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.09 3h2e n ALA 174 Cb 0.18 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.35 3h2e n ALA 174 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h2e n GLY 175 N 1.26 0.93 3.71 0.00 0.00 0.06 -4.73 105.19 106.42 3h2e n GLY 175 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 3h2e n GLY 175 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h2e s VAL 176 N -2.01 3.15 0.49 1.61 1.01 -0.80 -4.81 120.40 119.03 3h2e s VAL 176 Ca 0.00 0.80 -0.20 0.00 0.00 0.00 0.00 61.98 62.58 3h2e s VAL 176 Cb 0.00 -3.51 -0.08 0.00 0.00 0.00 0.00 36.38 32.79 3h2e s VAL 176 CO 0.00 0.05 1.03 -0.13 0.00 0.00 0.00 175.10 176.06 3h2e s ARG 177 N 1.33 3.81 0.30 2.72 0.52 -1.26 -4.36 118.95 122.00 3h2e s ARG 177 Ca 0.67 1.34 0.05 0.00 -0.52 0.00 0.00 55.73 57.26 3h2e s ARG 177 Cb -0.38 -2.10 0.71 0.00 0.52 0.00 0.00 34.95 33.70 3h2e s ARG 177 CO 0.30 -0.42 1.77 -0.44 0.02 0.00 0.00 175.30 176.53 3h2e h ASP 178 N 1.53 0.73 0.42 0.23 3.32 -1.97 -0.94 116.42 119.73 3h2e h ASP 178 Ca -0.49 0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.66 3h2e h ASP 178 Cb 1.22 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.74 3h2e h ASP 178 CO 0.59 0.25 0.00 -0.62 -1.72 0.00 0.00 179.24 177.74 3h2e n GLU 179 N -4.80 0.04 -0.54 3.56 1.02 -1.26 -2.42 120.64 116.24 3h2e n GLU 179 Ca 0.22 0.25 0.08 0.00 -0.02 0.00 0.00 57.16 57.69 3h2e n GLU 179 Cb 0.56 -1.50 0.30 0.00 -0.02 0.00 0.00 31.44 30.78 3h2e n GLU 179 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3h2e n ASN 180 N -1.46 4.36 -4.46 1.62 5.03 -0.36 -4.87 115.26 115.13 3h2e n ASN 180 Ca 0.04 -2.64 -0.33 0.00 0.87 0.00 0.00 54.58 52.51 3h2e n ASN 180 Cb 0.15 -0.53 -0.13 0.00 -1.02 0.00 0.00 39.78 38.25 3h2e n ASN 180 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3h2e s ILE 181 N -2.19 3.53 0.04 2.41 1.01 -1.01 -0.76 121.20 124.23 3h2e s ILE 181 Ca 0.44 -0.50 0.05 0.00 0.00 0.00 0.00 60.65 60.65 3h2e s ILE 181 Cb 0.32 -2.51 -0.02 0.00 0.01 0.00 0.00 42.46 40.26 3h2e s ILE 181 CO 0.17 0.52 -0.15 -0.63 0.00 0.00 0.00 174.94 174.84 3h2e s ILE 182 N 0.17 1.23 0.15 2.92 1.01 -0.50 -4.31 121.20 121.87 3h2e s ILE 182 Ca -0.04 -1.01 0.08 0.00 0.00 0.00 0.00 60.65 59.67 3h2e s ILE 182 Cb -0.14 -1.10 -0.04 0.00 0.01 0.00 0.00 42.46 41.19 3h2e s ILE 182 CO 0.04 0.07 -0.06 -0.76 0.00 0.00 0.00 174.94 174.22 3h2e s LEU 183 N -1.09 3.13 -0.03 2.97 1.43 -0.21 -0.75 118.68 124.12 3h2e s LEU 183 Ca 0.03 -0.44 -0.00 0.00 -1.03 0.00 0.00 54.13 52.69 3h2e s LEU 183 Cb -0.08 -1.84 0.03 0.00 0.03 0.00 0.00 46.19 44.33 3h2e s LEU 183 CO 0.01 0.13 0.04 -0.62 0.23 0.00 0.00 176.35 176.14 3h2e s ASP 184 N -2.63 0.35 0.00 2.29 3.68 -0.80 -0.36 116.67 119.19 3h2e s ASP 184 Ca 0.25 0.05 0.12 0.00 2.13 0.00 0.00 52.55 55.09 3h2e s ASP 184 Cb -0.10 -0.09 0.58 0.00 -1.45 0.00 0.00 42.92 41.86 3h2e s ASP 184 CO 0.16 -0.16 1.27 -0.81 0.13 0.00 0.00 175.17 175.76 3h2e n PRO 185 N 4.46 0.17 -3.61 4.34 -0.04 -1.26 -0.45 135.00 138.61 3h2e n PRO 185 Ca -0.22 0.17 -0.21 0.00 -0.04 0.00 0.00 63.50 63.21 3h2e n PRO 185 Cb 0.50 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.52 3h2e n PRO 185 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3h2e n GLY 186 N -0.31 -0.36 3.68 0.55 0.00 -1.26 -4.48 105.19 103.01 3h2e n GLY 186 Ca 0.05 0.13 -0.45 0.00 0.00 0.00 0.00 46.02 45.76 3h2e n GLY 186 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3h2e n ILE 187 N -4.33 0.46 -0.48 -0.61 2.08 -1.26 -1.99 119.36 113.23 3h2e n ILE 187 Ca -0.24 -0.12 0.00 0.00 0.56 0.00 0.00 62.75 62.96 3h2e n ILE 187 Cb 0.65 -1.58 0.00 0.00 -0.75 0.00 0.00 39.64 37.96 3h2e n ILE 187 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3h2e n GLY 188 N 2.84 0.75 3.05 7.39 0.00 -1.26 -4.90 105.19 113.06 3h2e n GLY 188 Ca 0.14 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.88 3h2e n GLY 188 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3h2e s PHE 189 N -2.43 1.86 -1.39 1.61 0.40 -0.84 -4.80 117.98 112.39 3h2e s PHE 189 Ca 0.00 -0.83 -0.05 0.00 -0.60 0.00 0.00 56.93 55.45 3h2e s PHE 189 Cb 0.00 -1.34 0.03 0.00 0.51 0.00 0.00 43.02 42.21 3h2e s PHE 189 CO 0.00 -0.42 0.40 0.00 0.70 0.00 0.00 175.22 175.89 3h2e n ALA 190 N 4.08 -0.94 -3.12 5.36 0.00 -1.26 -4.84 120.51 119.80 3h2e n ALA 190 Ca -0.20 0.17 -0.13 0.00 0.00 0.00 0.00 53.44 53.29 3h2e n ALA 190 Cb 0.51 -2.90 -0.13 0.00 0.00 0.00 0.00 19.45 16.93 3h2e n ALA 190 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3h2e s LYS 191 N -5.62 0.10 0.93 0.00 1.02 -1.26 -4.77 119.74 110.14 3h2e s LYS 191 Ca 0.25 0.17 -0.12 0.00 0.02 0.00 0.00 55.97 56.29 3h2e s LYS 191 Cb -0.12 0.01 0.15 0.00 -0.52 0.00 0.00 37.83 37.34 3h2e s LYS 191 CO 0.31 -0.04 1.09 0.95 -0.92 0.00 0.00 175.35 176.74 3h2e s THR 192 N 0.26 2.50 0.24 2.17 -4.23 -1.26 -4.76 115.64 110.55 3h2e s THR 192 Ca -0.02 0.16 -0.06 0.00 -1.18 0.00 0.00 61.69 60.60 3h2e s THR 192 Cb -0.03 -2.58 0.22 0.00 1.34 0.00 0.00 72.50 71.45 3h2e s THR 192 CO -0.01 -0.21 1.69 -0.65 -0.54 0.00 0.00 174.62 174.90 3h2e h PRO 193 N -1.70 0.28 -0.20 3.99 0.11 -1.99 -0.65 132.00 131.84 3h2e h PRO 193 Ca -0.51 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 65.48 3h2e h PRO 193 Cb 1.29 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 3h2e h PRO 193 CO 0.54 0.19 -0.33 1.05 -0.21 0.00 0.00 178.00 179.23 3h2e h GLU 194 N 0.29 0.42 -0.38 1.05 9.09 -1.98 -1.87 114.58 121.20 3h2e h GLU 194 Ca 0.40 -0.18 -0.12 0.00 0.05 0.00 0.00 59.36 59.51 3h2e h GLU 194 Cb 0.66 -0.01 -0.01 0.00 -1.65 0.00 0.00 28.75 27.73 3h2e h GLU 194 CO -0.48 0.71 -0.26 1.96 0.05 0.00 0.00 179.01 180.99 3h2e h GLN 195 N 0.36 0.78 -0.89 1.06 4.20 -1.77 -1.36 115.11 117.50 3h2e h GLN 195 Ca 0.04 -0.33 0.07 0.00 0.06 0.00 0.00 58.65 58.49 3h2e h GLN 195 Cb 0.76 -0.03 -0.07 0.00 0.30 0.00 0.00 27.48 28.45 3h2e h GLN 195 CO 0.06 0.95 0.55 -0.91 -0.67 0.00 0.00 178.83 178.81 3h2e h ASN 196 N 0.67 0.85 -0.45 1.46 2.35 -0.82 -0.01 115.58 119.64 3h2e h ASN 196 Ca 0.09 0.02 -0.12 0.00 -0.55 0.00 0.00 56.30 55.74 3h2e h ASN 196 Cb 0.78 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.98 3h2e h ASN 196 CO 0.06 0.53 -0.19 -0.07 -1.65 0.00 0.00 177.43 176.11 3h2e h LEU 197 N 0.98 0.94 -0.61 1.61 3.38 -1.08 -2.36 115.31 118.18 3h2e h LEU 197 Ca 0.40 -0.39 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3h2e h LEU 197 Cb 0.23 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 3h2e h LEU 197 CO -0.19 1.12 0.25 -0.08 0.09 0.00 0.00 178.44 179.63 3h2e h GLU 198 N 0.75 0.91 -0.30 1.13 4.81 -1.00 -1.96 114.58 118.92 3h2e h GLU 198 Ca 0.10 -0.16 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 3h2e h GLU 198 Cb 0.76 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.98 3h2e h GLU 198 CO 0.06 0.76 0.15 0.00 -0.73 0.00 0.00 179.01 179.26 3h2e h ALA 199 N 1.10 0.39 -0.67 2.92 0.00 -0.92 -2.22 119.26 119.85 3h2e h ALA 199 Ca 0.20 -0.09 0.11 0.00 0.00 0.00 0.00 54.91 55.13 3h2e h ALA 199 Cb 0.19 -0.12 -0.08 0.00 0.00 0.00 0.00 17.79 17.78 3h2e h ALA 199 CO -0.02 -0.06 0.28 0.52 0.00 0.00 0.00 179.25 179.97 3h2e h MET 200 N 0.36 0.45 0.00 0.00 2.86 -1.38 -0.38 114.93 116.84 3h2e h MET 200 Ca 0.10 -0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.69 3h2e h MET 200 Cb 0.10 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 31.65 3h2e h MET 200 CO -0.01 0.30 -0.15 -0.09 1.06 0.00 0.00 176.91 178.01 3h2e h ARG 201 N 0.46 0.00 -0.03 1.72 2.43 -0.95 -3.12 114.38 114.90 3h2e h ARG 201 Ca 0.35 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.52 3h2e h ARG 201 Cb 0.45 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 3h2e h ARG 201 CO -0.33 0.15 0.00 0.09 -1.51 0.00 0.00 179.97 178.37 3h2e n ASN 202 N -4.05 2.38 -0.19 -3.80 3.02 -0.87 -4.80 115.26 106.95 3h2e n ASN 202 Ca -0.02 -2.74 0.21 0.00 -0.03 0.00 0.00 54.58 52.00 3h2e n ASN 202 Cb 0.23 -0.31 0.58 0.00 -0.61 0.00 0.00 39.78 39.68 3h2e n ASN 202 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3h2e h LEU 203 N 0.19 0.26 -2.49 3.41 3.38 -1.01 -1.19 115.31 117.86 3h2e h LEU 203 Ca 0.00 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 3h2e h LEU 203 Cb 0.88 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.61 3h2e h LEU 203 CO 0.02 0.11 -0.02 1.05 0.09 0.00 0.00 178.44 179.69 3h2e h GLU 204 N 0.26 0.00 -0.54 1.13 9.09 -1.87 -1.80 114.58 120.84 3h2e h GLU 204 Ca 0.42 0.00 0.06 0.00 0.05 0.00 0.00 59.36 59.90 3h2e h GLU 204 Cb 1.25 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 28.32 3h2e h GLU 204 CO -0.11 0.02 0.36 1.96 0.05 0.00 0.00 179.01 181.29 3h2e h GLN 205 N 0.00 0.47 0.00 1.06 4.20 -1.56 -1.61 115.11 117.67 3h2e h GLN 205 Ca -0.00 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 3h2e h GLN 205 Cb 0.05 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 27.72 3h2e h GLN 205 CO 0.00 0.31 -0.02 -0.07 -0.67 0.00 0.00 178.83 178.38 3h2e h LEU 206 N 0.48 0.00 -2.22 1.46 3.38 -1.52 -2.49 115.31 114.40 3h2e h LEU 206 Ca 0.24 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 3h2e h LEU 206 Cb 0.32 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 3h2e h LEU 206 CO -0.06 0.02 -0.05 0.78 0.09 0.00 0.00 178.44 179.21 3h2e h ASN 207 N 0.00 0.00 0.08 -0.43 2.35 -1.46 -2.84 115.58 113.28 3h2e h ASN 207 Ca -0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 3h2e h ASN 207 Cb 0.06 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.43 3h2e h ASN 207 CO 0.00 0.05 -0.03 -0.37 -1.65 0.00 0.00 177.43 175.44 3h2e h VAL 208 N 0.00 0.52 0.00 2.81 -1.51 -1.63 -1.84 116.25 114.60 3h2e h VAL 208 Ca -0.00 -0.12 0.00 0.00 -1.23 0.00 0.00 66.70 65.35 3h2e h VAL 208 Cb 0.15 1.08 0.00 0.00 -2.13 0.00 0.00 31.29 30.39 3h2e h VAL 208 CO 0.01 0.03 0.00 -0.07 -1.23 0.00 0.00 177.57 176.30 3h2e h LEU 209 N 0.00 0.00 0.00 4.19 3.38 -1.74 -3.47 115.31 117.68 3h2e h LEU 209 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3h2e h LEU 209 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3h2e h LEU 209 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 3h2e n GLY 210 N 0.21 0.42 3.54 0.83 0.00 -0.69 -5.06 105.19 104.43 3h2e n GLY 210 Ca 0.02 -1.01 -0.26 0.00 0.00 0.00 0.00 46.02 44.76 3h2e n GLY 210 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3h2e s TYR 211 N -2.00 2.55 0.60 1.61 1.51 -1.26 -5.12 117.35 115.24 3h2e s TYR 211 Ca 0.00 -0.26 -0.20 0.00 -1.01 0.00 0.00 57.07 55.60 3h2e s TYR 211 Cb 0.00 -1.23 -0.03 0.00 -0.11 0.00 0.00 41.96 40.59 3h2e s TYR 211 CO 0.00 0.53 1.33 -2.30 -1.11 0.00 0.00 175.55 174.00 3h2e n PRO 212 N -0.02 1.40 -5.20 -1.71 -0.02 -1.26 -4.81 135.00 123.37 3h2e n PRO 212 Ca -0.10 0.53 -0.32 0.00 -2.02 0.00 0.00 63.50 61.59 3h2e n PRO 212 Cb 0.56 -2.56 -0.16 0.00 -0.02 0.00 0.00 33.50 31.32 3h2e n PRO 212 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3h2e s VAL 213 N -1.34 2.21 -0.11 -1.45 1.01 -1.26 -1.05 120.40 118.41 3h2e s VAL 213 Ca 0.78 -1.01 -0.02 0.00 0.00 0.00 0.00 61.98 61.72 3h2e s VAL 213 Cb -0.40 -1.82 -0.03 0.00 0.00 0.00 0.00 36.38 34.14 3h2e s VAL 213 CO 0.44 0.57 -0.03 -0.22 0.00 0.00 0.00 175.10 175.87 3h2e s LEU 214 N -0.17 3.37 -0.17 3.92 0.20 0.51 -0.59 118.68 125.76 3h2e s LEU 214 Ca -0.03 0.00 -0.05 0.00 0.69 0.00 0.00 54.13 54.74 3h2e s LEU 214 Cb -0.14 -1.78 -0.03 0.00 -0.43 0.00 0.00 46.19 43.81 3h2e s LEU 214 CO 0.04 0.29 0.00 -0.22 -0.29 0.00 0.00 176.35 176.17 3h2e s LEU 215 N -0.34 3.44 -0.39 -0.68 2.96 -0.37 -4.12 118.68 119.17 3h2e s LEU 215 Ca 0.06 -0.07 0.02 0.00 -0.22 0.00 0.00 54.13 53.92 3h2e s LEU 215 Cb -0.12 -1.85 0.12 0.00 0.50 0.00 0.00 46.19 44.84 3h2e s LEU 215 CO 0.02 0.16 0.17 -0.83 -1.32 0.00 0.00 176.35 174.55 3h2e s GLY 216 N 0.45 1.62 0.00 7.98 0.00 -1.26 -0.92 107.32 115.18 3h2e s GLY 216 Ca -0.01 -2.38 0.01 0.00 0.00 0.00 0.00 44.72 42.33 3h2e s GLY 216 CO 0.02 1.41 0.62 -1.30 0.00 0.00 0.00 173.10 173.85 3h2e n THR 217 N 4.00 0.19 -1.70 0.90 -2.24 -1.26 -4.53 114.28 109.64 3h2e n THR 217 Ca 0.04 -0.60 -0.42 0.00 -2.27 0.00 0.00 64.05 60.80 3h2e n THR 217 Cb 0.38 0.92 -0.03 0.00 -2.10 0.00 0.00 70.33 69.49 3h2e n THR 217 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3h2e s SER 218 N -0.24 6.19 -0.57 3.42 0.15 -1.26 -2.27 113.70 119.12 3h2e s SER 218 Ca 0.01 2.38 0.00 0.00 0.70 0.00 0.00 55.95 59.04 3h2e s SER 218 Cb 0.01 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.79 3h2e s SER 218 CO 0.01 -1.30 0.00 0.54 1.20 0.00 0.00 173.24 173.69 3h2e n ARG 219 N 7.85 -0.99 -1.53 5.44 1.74 -1.26 -4.92 116.66 122.99 3h2e n ARG 219 Ca 0.22 0.57 -0.33 0.00 -0.77 0.00 0.00 57.85 57.55 3h2e n ARG 219 Cb 0.42 -4.49 0.07 0.00 -1.02 0.00 0.00 32.46 27.45 3h2e n ARG 219 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3h2e s LYS 220 N -1.98 2.43 0.51 5.56 1.02 -0.96 -4.90 119.74 121.41 3h2e s LYS 220 Ca 0.00 1.46 0.23 0.00 0.02 0.00 0.00 55.97 57.68 3h2e s LYS 220 Cb 0.00 -1.90 1.38 0.00 -0.52 0.00 0.00 37.83 36.79 3h2e s LYS 220 CO 0.00 -1.55 2.09 0.66 -0.92 0.00 0.00 175.35 175.63 3h2e h SER 221 N -0.36 0.00 0.41 2.83 4.64 -1.93 -1.88 113.55 117.26 3h2e h SER 221 Ca -0.46 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.82 3h2e h SER 221 Cb 1.26 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.34 3h2e h SER 221 CO 0.52 0.11 -0.18 2.19 -0.87 0.00 0.00 176.83 178.59 3h2e h PHE 222 N 0.00 0.00 -0.12 4.77 -5.15 -1.95 0.10 116.94 114.59 3h2e h PHE 222 Ca -0.00 0.00 -0.03 0.00 -0.20 0.00 0.00 57.97 57.74 3h2e h PHE 222 Cb 0.23 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.40 3h2e h PHE 222 CO 0.00 0.18 -0.03 0.82 -2.00 0.00 0.00 178.31 177.28 3h2e h ILE 223 N 0.00 1.29 -0.95 0.88 2.04 -1.70 -2.23 117.51 116.84 3h2e h ILE 223 Ca -0.00 -0.95 0.07 0.00 1.00 0.00 0.00 64.86 64.97 3h2e h ILE 223 Cb 0.43 1.67 -0.06 0.00 -0.74 0.00 0.00 36.82 38.11 3h2e h ILE 223 CO 0.02 0.27 0.62 1.23 0.00 0.00 0.00 178.15 180.30 3h2e h GLY 224 N -0.07 1.42 0.95 5.37 0.00 -1.39 -0.03 103.07 109.33 3h2e h GLY 224 Ca 0.03 -0.44 -0.01 0.00 0.00 0.00 0.00 47.33 46.91 3h2e h GLY 224 CO 0.01 0.31 0.18 0.84 0.00 0.00 0.00 176.54 177.88 3h2e h HIS 225 N 1.09 0.53 -0.19 5.60 -0.00 -0.73 1.13 115.15 122.58 3h2e h HIS 225 Ca 0.41 -0.03 -0.04 0.00 -0.00 0.00 0.00 60.37 60.72 3h2e h HIS 225 Cb 0.20 -0.16 -0.01 0.00 -0.00 0.00 0.00 27.41 27.44 3h2e h HIS 225 CO -0.00 0.45 -0.04 0.28 -0.00 0.00 0.00 177.93 178.62 3h2e h VAL 226 N 0.46 1.28 0.00 5.26 2.07 -1.08 -3.34 116.25 120.90 3h2e h VAL 226 Ca 0.13 -0.99 0.00 0.00 0.82 0.00 0.00 66.70 66.66 3h2e h VAL 226 Cb 0.12 1.55 0.00 0.00 -1.52 0.00 0.00 31.29 31.44 3h2e h VAL 226 CO -0.02 0.30 -0.83 -0.07 0.02 0.00 0.00 177.57 176.97 3h2e h LEU 227 N 0.08 0.00 -2.12 2.57 3.38 -0.92 -3.49 115.31 114.81 3h2e h LEU 227 Ca 0.05 -0.01 -0.30 0.00 0.09 0.00 0.00 57.88 57.71 3h2e h LEU 227 Cb 0.47 0.00 0.17 0.00 0.09 0.00 0.00 40.66 41.39 3h2e h LEU 227 CO 0.02 0.00 -0.83 -0.67 0.09 0.00 0.00 178.44 177.06 3h2e n ASP 228 N -2.72 -4.40 -3.93 -0.43 2.03 0.39 -5.04 116.55 102.45 3h2e n ASP 228 Ca 0.01 -0.70 -0.15 0.00 0.52 0.00 0.00 54.79 54.47 3h2e n ASP 228 Cb 0.54 -5.03 -0.14 0.00 -0.72 0.00 0.00 41.12 35.77 3h2e n ASP 228 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3h2e s LEU 229 N -5.91 1.97 0.96 -2.67 1.43 -1.15 -5.06 118.68 108.25 3h2e s LEU 229 Ca 0.25 -0.07 -0.12 0.00 -1.03 0.00 0.00 54.13 53.16 3h2e s LEU 229 Cb -0.04 -0.21 0.17 0.00 0.03 0.00 0.00 46.19 46.14 3h2e s LEU 229 CO 0.75 0.04 1.09 -2.16 0.23 0.00 0.00 176.35 176.29 3h2e s PRO 230 N -0.04 0.71 0.54 1.29 0.04 -1.26 -4.29 135.00 131.98 3h2e s PRO 230 Ca 0.01 0.85 0.23 0.00 0.04 0.00 0.00 61.00 62.14 3h2e s PRO 230 Cb -0.02 -1.74 1.41 0.00 0.04 0.00 0.00 34.50 34.18 3h2e s PRO 230 CO -0.00 -2.63 2.06 -0.24 0.04 0.00 0.00 177.00 176.23 3h2e h VAL 231 N -1.83 0.76 -0.00 -0.36 3.04 -1.98 0.96 116.25 116.84 3h2e h VAL 231 Ca -0.52 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.17 3h2e h VAL 231 Cb 1.30 0.83 0.00 0.00 -2.01 0.00 0.00 31.29 31.41 3h2e h VAL 231 CO 0.53 0.00 -0.13 -1.84 -1.01 0.00 0.00 177.57 175.12 3h2e n GLU 232 N -4.32 0.60 -0.79 4.17 0.00 -1.26 -3.89 120.64 115.15 3h2e n GLU 232 Ca 0.04 -0.21 -0.03 0.00 0.00 0.00 0.00 57.16 56.96 3h2e n GLU 232 Cb 0.40 -1.50 0.20 0.00 0.00 0.00 0.00 31.44 30.55 3h2e n GLU 232 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 3h2e n GLU 233 N -1.02 1.82 -0.28 3.44 -0.58 0.33 -4.70 120.64 119.65 3h2e n GLU 233 Ca 0.13 -3.20 0.07 0.00 -0.42 0.00 0.00 57.16 53.74 3h2e n GLU 233 Cb 0.29 -1.80 0.19 0.00 -0.57 0.00 0.00 31.44 29.55 3h2e n GLU 233 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3h2e n ARG 234 N -1.12 2.86 -0.13 3.49 1.74 -1.25 -4.67 116.66 117.58 3h2e n ARG 234 Ca 0.32 -2.38 -0.05 0.00 -0.77 0.00 0.00 57.85 54.97 3h2e n ARG 234 Cb 1.01 -1.51 0.04 0.00 -1.02 0.00 0.00 32.46 30.97 3h2e n ARG 234 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3h2e h LEU 235 N 1.79 0.15 -0.18 0.55 5.85 -1.88 0.75 115.31 122.34 3h2e h LEU 235 Ca 0.00 0.05 -0.08 0.00 0.84 0.00 0.00 57.88 58.69 3h2e h LEU 235 Cb 1.03 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 42.10 3h2e h LEU 235 CO 0.10 0.12 -0.18 -0.33 -0.34 0.00 0.00 178.44 177.81 3h2e h GLU 236 N 0.31 0.44 -0.65 1.25 3.07 -1.99 -1.33 114.58 115.68 3h2e h GLU 236 Ca 0.20 -0.23 0.06 0.00 -0.50 0.00 0.00 59.36 58.89 3h2e h GLU 236 Cb 0.19 0.01 -0.06 0.00 -0.84 0.00 0.00 28.75 28.05 3h2e h GLU 236 CO -0.20 0.80 0.35 0.78 -1.40 0.00 0.00 179.01 179.34 3h2e h GLY 237 N 0.10 0.95 0.95 -3.84 0.00 -1.85 -1.85 103.07 97.53 3h2e h GLY 237 Ca 0.03 -0.24 -0.01 0.00 0.00 0.00 0.00 47.33 47.11 3h2e h GLY 237 CO 0.05 0.13 0.16 -0.84 0.00 0.00 0.00 176.54 176.04 3h2e h THR 238 N 0.64 1.15 -0.71 4.70 2.02 -0.77 -2.85 112.91 117.09 3h2e h THR 238 Ca 0.30 -0.43 0.13 0.00 0.77 0.00 0.00 66.41 67.18 3h2e h THR 238 Cb 0.22 0.84 -0.09 0.00 -1.74 0.00 0.00 68.15 67.37 3h2e h THR 238 CO -0.20 0.16 0.27 1.23 0.37 0.00 0.00 175.52 177.35 3h2e h GLY 239 N 0.40 1.04 0.70 2.16 0.00 -0.93 -0.54 103.07 105.90 3h2e h GLY 239 Ca 0.11 -0.13 0.07 0.00 0.00 0.00 0.00 47.33 47.38 3h2e h GLY 239 CO -0.02 -0.07 0.54 0.00 0.00 0.00 0.00 176.54 176.99 3h2e h ALA 240 N 1.51 1.20 -0.26 3.60 0.00 -1.18 -0.86 119.26 123.27 3h2e h ALA 240 Ca 0.38 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 55.15 3h2e h ALA 240 Cb 0.54 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3h2e h ALA 240 CO -0.38 0.27 -0.40 1.79 0.00 0.00 0.00 179.25 180.53 3h2e h THR 241 N 0.97 1.30 -0.26 0.00 1.35 -1.03 -2.25 112.91 112.98 3h2e h THR 241 Ca 0.38 -1.57 -0.02 0.00 -0.55 0.00 0.00 66.41 64.65 3h2e h THR 241 Cb 0.19 1.53 -0.01 0.00 -1.73 0.00 0.00 68.15 68.13 3h2e h THR 241 CO -0.18 0.50 0.07 0.58 -0.25 0.00 0.00 175.52 176.24 3h2e h VAL 242 N 0.50 1.21 -0.42 6.82 2.07 -0.75 -0.34 116.25 125.34 3h2e h VAL 242 Ca 0.04 -0.67 -0.01 0.00 0.82 0.00 0.00 66.70 66.88 3h2e h VAL 242 Cb 0.92 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.81 3h2e h VAL 242 CO 0.08 0.22 0.21 0.00 0.02 0.00 0.00 177.57 178.10 3h2e h LEU 244 N 0.54 0.66 -0.68 0.00 5.85 -1.39 -1.43 115.31 118.87 3h2e h LEU 244 Ca 0.15 -0.19 0.06 0.00 0.84 0.00 0.00 57.88 58.73 3h2e h LEU 244 Cb 0.10 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 40.90 3h2e h LEU 244 CO -0.02 0.68 0.38 1.23 -0.34 0.00 0.00 178.44 180.37 3h2e h GLY 245 N 0.61 0.99 1.01 3.75 0.00 -0.90 0.91 103.07 109.44 3h2e h GLY 245 Ca 0.15 -0.26 -0.08 0.00 0.00 0.00 0.00 47.33 47.14 3h2e h GLY 245 CO -0.01 0.16 0.00 -2.22 0.00 0.00 0.00 176.54 174.47 3h2e h ILE 246 N 0.69 1.26 -0.83 2.60 2.04 -1.23 -1.52 117.51 120.53 3h2e h ILE 246 Ca 0.30 -1.07 0.03 0.00 1.00 0.00 0.00 64.86 65.12 3h2e h ILE 246 Cb 0.19 0.97 -0.05 0.00 -0.74 0.00 0.00 36.82 37.20 3h2e h ILE 246 CO -0.19 0.38 0.55 -0.08 0.00 0.00 0.00 178.15 178.81 3h2e h GLU 247 N 0.73 1.02 -0.12 2.37 4.22 -0.82 -1.55 114.58 120.43 3h2e h GLU 247 Ca 0.14 -0.06 0.00 0.00 0.08 0.00 0.00 59.36 59.52 3h2e h GLU 247 Cb 0.51 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.53 3h2e h GLU 247 CO 0.02 0.67 0.00 1.63 -2.18 0.00 0.00 179.01 179.16 3h2e n LYS 248 N -4.44 1.41 0.00 1.92 5.02 0.27 -4.93 118.16 117.42 3h2e n LYS 248 Ca 0.10 -0.62 0.00 0.00 -2.02 0.00 0.00 58.31 55.77 3h2e n LYS 248 Cb 0.09 -1.28 0.00 0.00 -0.02 0.00 0.00 35.03 33.81 3h2e n LYS 248 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3h2e n GLY 249 N 0.92 1.08 3.77 0.72 0.00 -0.58 -4.24 105.19 106.86 3h2e n GLY 249 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 3h2e n GLY 249 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h2e n GLU 251 N -0.99 0.66 -4.08 0.00 4.71 0.24 -4.70 120.64 116.49 3h2e n GLU 251 Ca 0.10 -0.05 -0.13 0.00 -0.01 0.00 0.00 57.16 57.07 3h2e n GLU 251 Cb 0.49 -1.59 -0.11 0.00 -1.01 0.00 0.00 31.44 29.22 3h2e n GLU 251 CO 0.00 0.00 0.00 -0.06 0.09 0.00 0.00 177.13 177.16 3h2e s PHE 252 N -3.12 0.74 -0.03 -0.32 0.40 -1.07 -1.12 117.98 113.46 3h2e s PHE 252 Ca -0.07 -0.52 0.04 0.00 -0.60 0.00 0.00 56.93 55.77 3h2e s PHE 252 Cb 0.10 -0.44 -0.00 0.00 0.51 0.00 0.00 43.02 43.19 3h2e s PHE 252 CO 0.86 -0.07 -0.13 0.14 0.70 0.00 0.00 175.22 176.72 3h2e s VAL 253 N -1.51 1.09 -0.36 -0.44 -7.23 -0.45 -1.24 120.40 110.26 3h2e s VAL 253 Ca -0.08 -0.55 -0.11 0.00 -1.81 0.00 0.00 61.98 59.43 3h2e s VAL 253 Cb -0.09 -0.94 0.01 0.00 0.56 0.00 0.00 36.38 35.93 3h2e s VAL 253 CO 0.00 0.32 0.20 -0.60 -0.31 0.00 0.00 175.10 174.72 3h2e s ARG 254 N -0.01 3.07 0.04 4.82 3.52 -0.10 -0.82 118.95 129.47 3h2e s ARG 254 Ca -0.01 -0.92 0.02 0.00 -0.13 0.00 0.00 55.73 54.69 3h2e s ARG 254 Cb -0.09 -3.72 -0.02 0.00 -1.56 0.00 0.00 34.95 29.56 3h2e s ARG 254 CO 0.01 -0.59 -0.07 0.14 -0.81 0.00 0.00 175.30 173.98 3h2e s VAL 255 N 1.60 0.46 -0.06 7.11 -7.23 -0.17 -4.13 120.40 117.97 3h2e s VAL 255 Ca 0.04 -1.07 -0.14 0.00 -1.81 0.00 0.00 61.98 58.99 3h2e s VAL 255 Cb -0.18 -0.57 -0.30 0.00 0.56 0.00 0.00 36.38 35.89 3h2e s VAL 255 CO 0.07 -0.42 0.68 0.45 -0.31 0.00 0.00 175.10 175.57 3h2e h HIS 256 N 4.48 0.62 -2.30 2.82 3.86 -1.90 -1.43 115.15 121.31 3h2e h HIS 256 Ca -0.35 -0.46 -0.76 0.00 -1.16 0.00 0.00 60.37 57.65 3h2e h HIS 256 Cb 1.20 -0.02 -0.20 0.00 1.06 0.00 0.00 27.41 29.45 3h2e h HIS 256 CO 0.65 1.59 1.30 -0.25 0.86 0.00 0.00 177.93 182.08 3h2e n ASP 257 N -3.79 5.34 -0.14 2.45 9.92 -1.26 -4.77 116.55 124.31 3h2e n ASP 257 Ca -0.23 -3.05 -0.10 0.00 -0.53 0.00 0.00 54.79 50.88 3h2e n ASP 257 Cb 0.99 -1.50 -0.01 0.00 -0.64 0.00 0.00 41.12 39.96 3h2e n ASP 257 CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 3h2e h VAL 258 N 4.18 1.24 -0.21 2.53 2.07 -1.92 -1.75 116.25 122.39 3h2e h VAL 258 Ca 0.30 -0.85 0.04 0.00 0.82 0.00 0.00 66.70 67.01 3h2e h VAL 258 Cb 0.80 1.04 -0.04 0.00 -1.52 0.00 0.00 31.29 31.57 3h2e h VAL 258 CO 1.29 0.29 -0.03 0.50 0.02 0.00 0.00 177.57 179.64 3h2e h LYS 259 N 0.50 0.02 -0.14 1.57 3.64 -1.90 -0.37 116.57 119.89 3h2e h LYS 259 Ca 0.12 -0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.29 3h2e h LYS 259 Cb 0.36 -0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.19 3h2e h LYS 259 CO 0.01 0.01 -0.73 0.93 -2.27 0.00 0.00 179.45 177.40 3h2e h GLU 260 N 0.02 0.75 -0.05 1.90 3.07 -1.87 -3.01 114.58 115.39 3h2e h GLU 260 Ca 0.10 -0.61 -0.15 0.00 -0.50 0.00 0.00 59.36 58.20 3h2e h GLU 260 Cb 0.14 0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.17 3h2e h GLU 260 CO -0.20 1.22 -0.63 0.52 -1.40 0.00 0.00 179.01 178.53 3h2e h MET 261 N 0.46 0.20 -0.32 2.33 2.86 -1.22 -2.29 114.93 116.95 3h2e h MET 261 Ca -0.05 -0.14 -0.00 0.00 -2.06 0.00 0.00 59.70 57.45 3h2e h MET 261 Cb 1.36 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 33.03 3h2e h MET 261 CO 0.15 0.76 0.19 0.77 1.06 0.00 0.00 176.91 179.84 3h2e h SER 262 N 0.14 0.38 -0.48 1.22 0.02 -1.07 0.22 113.55 113.98 3h2e h SER 262 Ca -0.01 -0.05 0.01 0.00 -0.84 0.00 0.00 61.79 60.90 3h2e h SER 262 Cb 1.13 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 63.55 3h2e h SER 262 CO 0.09 0.32 0.31 0.03 -1.14 0.00 0.00 176.83 176.44 3h2e h ARG 263 N 0.41 0.61 -0.44 3.45 3.08 -1.42 -0.84 114.38 119.23 3h2e h ARG 263 Ca 0.11 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.09 3h2e h ARG 263 Cb 0.00 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 29.90 3h2e h ARG 263 CO -0.02 0.41 0.12 0.52 -1.07 0.00 0.00 179.97 179.93 3h2e h MET 264 N 0.63 0.70 -0.54 0.04 2.86 -1.13 -1.96 114.93 115.53 3h2e h MET 264 Ca 0.18 -0.16 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 3h2e h MET 264 Cb -0.05 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.49 3h2e h MET 264 CO -0.05 0.69 0.31 0.00 1.06 0.00 0.00 176.91 178.91 3h2e h ALA 265 N 0.98 0.69 -0.94 6.32 0.00 -0.48 -1.69 119.26 124.14 3h2e h ALA 265 Ca 0.14 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.97 3h2e h ALA 265 Cb 0.29 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 3h2e h ALA 265 CO -0.00 0.20 0.61 -0.22 0.00 0.00 0.00 179.25 179.84 3h2e h LYS 266 N 0.73 1.25 -0.30 0.00 3.64 -1.02 0.14 116.57 120.99 3h2e h LYS 266 Ca 0.19 -0.08 -0.05 0.00 -1.27 0.00 0.00 60.65 59.44 3h2e h LYS 266 Cb 0.03 -0.28 -0.01 0.00 -0.41 0.00 0.00 32.23 31.56 3h2e h LYS 266 CO -0.03 0.84 -0.01 1.98 -2.27 0.00 0.00 179.45 179.96 3h2e h MET 267 N 1.28 0.53 0.01 1.90 4.05 -1.20 -2.37 114.93 119.13 3h2e h MET 267 Ca 0.34 -0.17 0.02 0.00 -0.28 0.00 0.00 59.70 59.61 3h2e h MET 267 Cb -0.12 -0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 30.61 3h2e h MET 267 CO -0.07 0.68 -0.10 0.52 0.23 0.00 0.00 176.91 178.17 3h2e h MET 268 N 0.33 -0.16 -0.60 0.39 2.86 -1.06 -2.01 114.93 114.67 3h2e h MET 268 Ca 0.08 0.01 0.12 0.00 -2.06 0.00 0.00 59.70 57.86 3h2e h MET 268 Cb 0.44 0.04 -0.10 0.00 0.06 0.00 0.00 31.60 32.04 3h2e h MET 268 CO 0.02 -0.11 0.02 -0.44 1.06 0.00 0.00 176.91 177.45 3h2e h ASP 269 N -0.17 -0.23 -0.42 1.22 3.45 -0.92 0.34 116.42 119.69 3h2e h ASP 269 Ca 0.03 0.14 -0.07 0.00 0.43 0.00 0.00 57.03 57.57 3h2e h ASP 269 Cb 0.21 0.25 -0.02 0.00 -0.56 0.00 0.00 39.33 39.21 3h2e h ASP 269 CO -0.09 -0.09 0.04 0.00 -1.57 0.00 0.00 179.24 177.53 3h2e h ALA 270 N 1.54 1.14 -0.09 3.45 0.00 -1.13 0.75 119.26 124.92 3h2e h ALA 270 Ca 0.31 -0.24 -0.23 0.00 0.00 0.00 0.00 54.91 54.75 3h2e h ALA 270 Cb 0.50 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.10 3h2e h ALA 270 CO -0.50 0.56 -0.86 0.52 0.00 0.00 0.00 179.25 178.97 3h2e h MET 271 N 0.75 0.68 0.00 0.00 2.86 -0.53 -3.20 114.93 115.49 3h2e h MET 271 Ca 0.15 -0.62 0.00 0.00 -2.06 0.00 0.00 59.70 57.18 3h2e h MET 271 Cb 0.40 0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.21 3h2e h MET 271 CO 0.01 1.22 -0.06 0.44 1.06 0.00 0.00 176.91 179.58 3h2e n ILE 272 N -3.88 0.57 -1.83 -1.22 -5.35 0.01 -4.93 119.36 102.72 3h2e n ILE 272 Ca -0.08 -0.28 0.00 0.00 -0.27 0.00 0.00 62.75 62.12 3h2e n ILE 272 Cb 0.79 -0.54 0.00 0.00 -1.74 0.00 0.00 39.64 38.15 3h2e n ILE 272 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3h2e n GLY 273 N 1.31 0.90 0.17 3.28 0.00 -0.54 -5.09 105.19 105.23 3h2e n GLY 273 Ca 0.05 -0.58 0.15 0.00 0.00 0.00 0.00 46.02 45.65 3h2e n GLY 273 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49