#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k8d s GLN 2 N 0.00 3.16 0.33 1.61 0.74 -1.26 -3.51 119.66 120.73 1k8d s GLN 2 Ca 0.00 -0.34 0.03 0.00 0.05 0.00 0.00 55.36 55.11 1k8d s GLN 2 Cb 0.00 -2.94 -0.06 0.00 1.10 0.00 0.00 33.01 31.11 1k8d s GLN 2 CO 0.00 0.71 0.07 -1.01 -0.55 0.00 0.00 175.29 174.51 1k8d s HIS 3 N -1.02 1.90 -0.08 1.67 3.76 -0.37 -4.97 115.29 116.18 1k8d s HIS 3 Ca 0.17 -1.02 -0.30 0.00 -0.15 0.00 0.00 55.06 53.75 1k8d s HIS 3 Cb -0.12 -1.24 0.09 0.00 1.11 0.00 0.00 32.58 32.43 1k8d s HIS 3 CO 0.06 -0.06 0.80 -1.54 -0.85 0.00 0.00 174.74 173.15 1k8d s SER 4 N -3.49 -0.54 -0.13 1.40 1.04 -1.26 0.28 113.70 111.00 1k8d s SER 4 Ca 0.35 0.54 0.01 0.00 0.48 0.00 0.00 55.95 57.33 1k8d s SER 4 Cb 0.08 0.45 0.02 0.00 0.10 0.00 0.00 66.02 66.67 1k8d s SER 4 CO 0.15 -0.53 -0.15 -0.22 0.98 0.00 0.00 173.24 173.47 1k8d s LEU 5 N -1.29 1.75 0.01 2.42 0.20 -0.69 -0.52 118.68 120.56 1k8d s LEU 5 Ca -0.06 -0.48 0.02 0.00 0.69 0.00 0.00 54.13 54.30 1k8d s LEU 5 Cb -0.00 -1.17 -0.01 0.00 -0.43 0.00 0.00 46.19 44.57 1k8d s LEU 5 CO 0.05 -0.01 -0.07 -1.10 -0.29 0.00 0.00 176.35 174.93 1k8d s GLN 6 N 1.21 0.55 -0.09 1.98 -0.21 0.75 -1.40 119.66 122.47 1k8d s GLN 6 Ca -0.01 -0.38 0.05 0.00 0.02 0.00 0.00 55.36 55.04 1k8d s GLN 6 Cb -0.14 -0.49 -0.00 0.00 1.00 0.00 0.00 33.01 33.38 1k8d s GLN 6 CO -0.06 0.13 -0.24 0.71 -2.12 0.00 0.00 175.29 173.70 1k8d s TYR 7 N -0.47 2.50 -0.07 0.91 1.51 -0.50 0.86 117.35 122.10 1k8d s TYR 7 Ca -0.00 -0.94 0.04 0.00 -1.01 0.00 0.00 57.07 55.16 1k8d s TYR 7 Cb -0.04 -1.66 -0.02 0.00 -0.11 0.00 0.00 41.96 40.12 1k8d s TYR 7 CO 0.00 -0.35 -0.17 -0.06 -1.11 0.00 0.00 175.55 173.86 1k8d s PHE 8 N 0.18 2.64 -0.01 2.71 0.40 0.12 -2.39 117.98 121.63 1k8d s PHE 8 Ca -0.14 -0.41 0.04 0.00 -0.60 0.00 0.00 56.93 55.82 1k8d s PHE 8 Cb -0.17 -1.66 -0.01 0.00 0.51 0.00 0.00 43.02 41.69 1k8d s PHE 8 CO 0.07 -0.01 -0.14 -1.01 0.70 0.00 0.00 175.22 174.83 1k8d s HIS 9 N -0.35 1.27 -0.08 0.36 3.76 0.17 -1.06 115.29 119.36 1k8d s HIS 9 Ca 0.03 -0.25 -0.03 0.00 -0.15 0.00 0.00 55.06 54.65 1k8d s HIS 9 Cb -0.12 -0.81 0.04 0.00 1.11 0.00 0.00 32.58 32.80 1k8d s HIS 9 CO 0.02 -0.01 0.16 0.99 -0.85 0.00 0.00 174.74 175.05 1k8d s THR 10 N -0.39 -0.17 -0.13 1.30 2.01 -0.62 -1.15 115.64 116.49 1k8d s THR 10 Ca 0.05 0.27 0.02 0.00 0.31 0.00 0.00 61.69 62.34 1k8d s THR 10 Cb -0.06 -0.28 0.01 0.00 0.01 0.00 0.00 72.50 72.19 1k8d s THR 10 CO -0.00 0.11 -0.19 0.00 -0.69 0.00 0.00 174.62 173.85 1k8d s ALA 11 N 1.78 2.06 -0.19 7.40 0.00 0.74 -1.59 121.76 131.97 1k8d s ALA 11 Ca -0.03 -0.98 0.01 0.00 0.00 0.00 0.00 51.96 50.96 1k8d s ALA 11 Cb -0.12 -0.96 0.03 0.00 0.00 0.00 0.00 23.12 22.07 1k8d s ALA 11 CO -0.06 -0.09 -0.13 0.08 0.00 0.00 0.00 175.76 175.56 1k8d s VAL 12 N 0.94 1.75 0.75 0.00 1.01 0.03 0.30 120.40 125.19 1k8d s VAL 12 Ca -0.05 -0.94 -0.11 0.00 0.00 0.00 0.00 61.98 60.88 1k8d s VAL 12 Cb -0.15 -1.73 0.05 0.00 0.00 0.00 0.00 36.38 34.55 1k8d s VAL 12 CO -0.03 0.31 1.09 -0.94 0.00 0.00 0.00 175.10 175.52 1k8d s SER 13 N 1.38 4.68 -0.47 3.32 1.04 -0.53 0.19 113.70 123.31 1k8d s SER 13 Ca 0.01 1.80 0.05 0.00 0.48 0.00 0.00 55.95 58.28 1k8d s SER 13 Cb -0.15 -2.52 0.24 0.00 0.10 0.00 0.00 66.02 63.69 1k8d s SER 13 CO -0.10 -1.91 0.93 -2.11 0.98 0.00 0.00 173.24 171.03 1k8d n ARG 14 N -3.40 0.66 -1.62 4.02 1.85 -1.26 -4.35 116.66 112.56 1k8d n ARG 14 Ca 0.09 -1.58 -0.44 0.00 -1.00 0.00 0.00 57.85 54.91 1k8d n ARG 14 Cb 0.53 -1.27 -0.01 0.00 -1.05 0.00 0.00 32.46 30.66 1k8d n ARG 14 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 177.63 177.27 1k8d n PRO 15 N 1.72 1.55 -0.71 2.89 -0.04 -1.26 -1.70 135.00 137.45 1k8d n PRO 15 Ca 0.08 0.54 0.00 0.00 -0.04 0.00 0.00 63.50 64.09 1k8d n PRO 15 Cb 0.64 -1.98 0.00 0.00 -0.04 0.00 0.00 33.50 32.12 1k8d n PRO 15 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1k8d n GLY 16 N 1.18 0.75 2.64 0.55 0.00 -1.26 -4.79 105.19 104.26 1k8d n GLY 16 Ca 0.09 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.02 1k8d n GLY 16 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1k8d n LEU 17 N 0.00 2.29 0.00 0.99 7.94 -0.69 -5.12 117.00 122.42 1k8d n LEU 17 Ca 0.00 -3.64 0.00 0.00 -1.11 0.00 0.00 56.01 51.26 1k8d n LEU 17 Cb 0.00 0.27 0.00 0.00 0.53 0.00 0.00 43.42 44.22 1k8d n LEU 17 CO 0.00 1.43 0.00 0.61 -1.11 0.00 0.00 177.39 178.32 1k8d n GLY 18 N -0.46 0.84 3.79 -3.96 0.00 -1.23 -4.89 105.19 99.27 1k8d n GLY 18 Ca 0.16 -2.00 -0.31 0.00 0.00 0.00 0.00 46.02 43.87 1k8d n GLY 18 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1k8d s GLU 19 N -1.67 2.30 0.54 1.61 2.56 -1.26 -4.50 118.70 118.27 1k8d s GLU 19 Ca 0.00 0.93 -0.19 0.00 0.00 0.00 0.00 54.97 55.71 1k8d s GLU 19 Cb 0.00 -1.92 -0.09 0.00 2.00 0.00 0.00 34.13 34.12 1k8d s GLU 19 CO 0.00 -1.54 0.66 -2.30 -0.56 0.00 0.00 175.26 171.51 1k8d n PRO 20 N -3.43 0.68 -2.83 4.30 -0.02 -1.26 -4.72 135.00 127.73 1k8d n PRO 20 Ca 0.08 0.26 -0.43 0.00 -2.02 0.00 0.00 63.50 61.39 1k8d n PRO 20 Cb 0.54 -1.79 -0.04 0.00 -0.02 0.00 0.00 33.50 32.19 1k8d n PRO 20 CO 0.00 0.00 0.00 -0.46 1.98 0.00 0.00 175.50 177.02 1k8d s TRP 21 N -1.60 2.89 -0.19 6.00 -0.00 0.13 -4.86 118.94 121.31 1k8d s TRP 21 Ca 0.69 0.29 -0.03 0.00 -0.00 0.00 0.00 56.10 57.04 1k8d s TRP 21 Cb -0.47 -3.98 -0.01 0.00 -0.00 0.00 0.00 33.47 29.00 1k8d s TRP 21 CO 0.54 -1.15 -0.06 0.12 -0.00 0.00 0.00 176.95 176.39 1k8d s PHE 22 N 3.79 2.94 -0.01 5.86 5.36 -1.26 -0.79 117.98 133.86 1k8d s PHE 22 Ca 0.35 -0.76 0.02 0.00 -0.96 0.00 0.00 56.93 55.58 1k8d s PHE 22 Cb -0.11 -2.02 0.00 0.00 -0.34 0.00 0.00 43.02 40.55 1k8d s PHE 22 CO 0.25 -0.39 -0.06 0.96 -1.46 0.00 0.00 175.22 174.52 1k8d s ILE 23 N 1.04 0.49 0.01 3.12 -4.36 -0.62 0.67 121.20 121.55 1k8d s ILE 23 Ca 0.00 -0.22 0.04 0.00 -0.26 0.00 0.00 60.65 60.21 1k8d s ILE 23 Cb -0.15 -0.44 -0.01 0.00 1.25 0.00 0.00 42.46 43.11 1k8d s ILE 23 CO -0.00 0.16 -0.12 -0.55 0.24 0.00 0.00 174.94 174.66 1k8d s SER 24 N 0.11 1.44 -0.00 4.36 0.15 0.69 -1.59 113.70 118.87 1k8d s SER 24 Ca -0.01 -0.32 0.03 0.00 0.70 0.00 0.00 55.95 56.35 1k8d s SER 24 Cb -0.05 -0.13 -0.01 0.00 -1.71 0.00 0.00 66.02 64.12 1k8d s SER 24 CO -0.00 0.09 -0.09 -0.69 1.20 0.00 0.00 173.24 173.74 1k8d s VAL 25 N -0.54 0.71 -0.02 4.45 1.01 -0.23 -0.88 120.40 124.90 1k8d s VAL 25 Ca 0.03 -0.46 0.05 0.00 0.00 0.00 0.00 61.98 61.60 1k8d s VAL 25 Cb -0.06 -0.61 -0.03 0.00 0.00 0.00 0.00 36.38 35.69 1k8d s VAL 25 CO 0.00 0.14 -0.17 -0.83 0.00 0.00 0.00 175.10 174.25 1k8d s GLY 26 N -0.36 1.50 -0.01 4.51 0.00 -0.32 0.11 107.32 112.75 1k8d s GLY 26 Ca 0.02 -1.05 0.03 0.00 0.00 0.00 0.00 44.72 43.72 1k8d s GLY 26 CO -0.00 -0.87 -0.09 -0.19 0.00 0.00 0.00 173.10 171.95 1k8d s TYR 27 N -0.76 0.83 -0.23 1.90 1.51 0.25 -1.01 117.35 119.83 1k8d s TYR 27 Ca 0.12 -0.16 -0.00 0.00 -1.01 0.00 0.00 57.07 56.02 1k8d s TYR 27 Cb -0.10 -0.53 0.03 0.00 -0.11 0.00 0.00 41.96 41.24 1k8d s TYR 27 CO 0.01 -0.01 -0.11 0.08 -1.11 0.00 0.00 175.55 174.41 1k8d s VAL 28 N -0.22 2.53 0.00 0.71 1.01 0.26 -0.17 120.40 124.52 1k8d s VAL 28 Ca 0.04 -1.11 0.00 0.00 0.00 0.00 0.00 61.98 60.91 1k8d s VAL 28 Cb -0.04 -2.26 0.00 0.00 0.00 0.00 0.00 36.38 34.08 1k8d s VAL 28 CO -0.00 0.25 0.00 0.47 0.00 0.00 0.00 175.10 175.82 1k8d n ASP 29 N 4.61 0.00 -2.02 3.32 8.00 0.32 -0.84 116.55 129.95 1k8d n ASP 29 Ca -0.17 0.00 -0.22 0.00 0.71 0.00 0.00 54.79 55.11 1k8d n ASP 29 Cb 0.47 0.00 0.10 0.00 -0.02 0.00 0.00 41.12 41.67 1k8d n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1k8d n ASP 30 N 2.44 5.31 -3.85 -2.24 8.00 -1.26 -4.85 116.55 120.10 1k8d n ASP 30 Ca 0.00 -3.32 -0.25 0.00 0.71 0.00 0.00 54.79 51.93 1k8d n ASP 30 Cb 0.00 -0.88 -0.17 0.00 -0.02 0.00 0.00 41.12 40.04 1k8d n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1k8d s THR 31 N -3.03 0.72 0.26 -3.53 2.01 -0.02 -4.96 115.64 107.09 1k8d s THR 31 Ca 0.46 -0.11 -0.30 0.00 0.31 0.00 0.00 61.69 62.05 1k8d s THR 31 Cb 0.37 -0.80 -0.09 0.00 0.01 0.00 0.00 72.50 71.99 1k8d s THR 31 CO 0.04 0.31 1.02 -1.58 -0.69 0.00 0.00 174.62 173.72 1k8d s GLN 32 N 1.74 4.75 0.00 4.92 0.74 -1.26 -0.57 119.66 129.97 1k8d s GLN 32 Ca 0.03 1.65 0.00 0.00 0.05 0.00 0.00 55.36 57.10 1k8d s GLN 32 Cb -0.13 -3.23 0.00 0.00 1.10 0.00 0.00 33.01 30.75 1k8d s GLN 32 CO -0.06 0.36 0.00 1.97 -0.55 0.00 0.00 175.29 177.01 1k8d n PHE 33 N 1.36 0.00 -4.16 1.67 -1.74 -0.18 -4.17 117.46 110.23 1k8d n PHE 33 Ca -0.01 0.00 -0.12 0.00 -0.56 0.00 0.00 57.45 56.76 1k8d n PHE 33 Cb 0.46 0.00 -0.10 0.00 1.52 0.00 0.00 39.48 41.36 1k8d n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 1k8d s VAL 34 N -1.08 0.75 -0.09 1.97 -7.23 -1.22 0.16 120.40 113.66 1k8d s VAL 34 Ca 0.00 -1.80 -0.30 0.00 -1.81 0.00 0.00 61.98 58.07 1k8d s VAL 34 Cb 0.00 -1.52 0.07 0.00 0.56 0.00 0.00 36.38 35.49 1k8d s VAL 34 CO 0.00 -0.76 0.68 -0.60 -0.31 0.00 0.00 175.10 174.11 1k8d s ARG 35 N -3.40 1.02 -0.03 4.82 3.52 0.03 -1.17 118.95 123.73 1k8d s ARG 35 Ca 0.09 0.39 0.01 0.00 -0.13 0.00 0.00 55.73 56.09 1k8d s ARG 35 Cb 0.02 0.48 0.02 0.00 -1.56 0.00 0.00 34.95 33.91 1k8d s ARG 35 CO -0.03 -0.29 -0.04 0.12 -0.81 0.00 0.00 175.30 174.26 1k8d s PHE 36 N -0.91 0.58 -0.13 5.12 2.19 -0.06 0.52 117.98 125.30 1k8d s PHE 36 Ca -0.09 -0.13 -0.01 0.00 0.33 0.00 0.00 56.93 57.03 1k8d s PHE 36 Cb -0.01 -0.53 0.04 0.00 -1.31 0.00 0.00 43.02 41.21 1k8d s PHE 36 CO 0.08 -0.14 -0.03 0.34 1.83 0.00 0.00 175.22 177.31 1k8d s ASP 37 N 0.73 2.29 0.60 6.13 -1.08 -1.26 -0.22 116.67 123.85 1k8d s ASP 37 Ca -0.09 -0.41 0.30 0.00 -0.52 0.00 0.00 52.55 51.83 1k8d s ASP 37 Cb -0.12 -0.71 1.74 0.00 -1.46 0.00 0.00 42.92 42.37 1k8d s ASP 37 CO -0.00 -0.19 2.15 0.77 0.52 0.00 0.00 175.17 178.42 1k8d h SER 38 N 8.21 0.00 0.82 -0.34 4.64 -0.14 -2.16 113.55 124.58 1k8d h SER 38 Ca -0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 1k8d h SER 38 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1k8d h SER 38 CO 0.35 0.00 -0.32 0.47 -0.87 0.00 0.00 176.83 176.46 1k8d n ASP 39 N -3.75 0.41 -4.74 4.97 8.00 -1.26 -4.74 116.55 115.44 1k8d n ASP 39 Ca 0.00 0.13 -0.38 0.00 0.71 0.00 0.00 54.79 55.26 1k8d n ASP 39 Cb 0.25 -0.10 0.05 0.00 -0.02 0.00 0.00 41.12 41.30 1k8d n ASP 39 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1k8d s ALA 40 N -3.04 2.65 0.40 2.24 0.00 -0.81 -4.84 121.76 118.36 1k8d s ALA 40 Ca 0.11 1.25 0.13 0.00 0.00 0.00 0.00 51.96 53.45 1k8d s ALA 40 Cb 0.17 -3.54 0.97 0.00 0.00 0.00 0.00 23.12 20.72 1k8d s ALA 40 CO 0.64 -1.40 1.90 0.93 0.00 0.00 0.00 175.76 177.83 1k8d h GLU 41 N 1.12 0.49 -2.92 0.00 5.08 -1.89 -3.12 114.58 113.35 1k8d h GLU 41 Ca -0.51 -0.03 -0.61 0.00 -1.00 0.00 0.00 59.36 57.21 1k8d h GLU 41 Cb 1.31 -0.11 -0.40 0.00 0.50 0.00 0.00 28.75 30.05 1k8d h GLU 41 CO 0.56 0.33 -0.74 -0.80 -1.00 0.00 0.00 179.01 177.36 1k8d s ASN 42 N -5.88 3.55 0.05 1.42 0.01 -1.26 -5.09 114.94 107.74 1k8d s ASN 42 Ca -0.09 -3.02 -0.32 0.00 -0.71 0.00 0.00 52.86 48.72 1k8d s ASN 42 Cb 0.21 -1.10 -0.11 0.00 0.41 0.00 0.00 41.25 40.67 1k8d s ASN 42 CO 0.77 -0.20 1.85 -2.65 -1.51 0.00 0.00 177.10 175.36 1k8d n PRO 43 N 3.02 2.58 -3.53 -0.60 -0.02 -1.18 -4.95 135.00 130.33 1k8d n PRO 43 Ca 0.15 0.94 -0.13 0.00 -2.02 0.00 0.00 63.50 62.44 1k8d n PRO 43 Cb 0.37 -2.82 -0.04 0.00 -0.02 0.00 0.00 33.50 30.99 1k8d n PRO 43 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1k8d s ARG 44 N 3.27 1.13 -0.13 -0.52 1.70 -1.26 -4.98 118.95 118.16 1k8d s ARG 44 Ca 0.86 -0.39 -0.29 0.00 -0.47 0.00 0.00 55.73 55.44 1k8d s ARG 44 Cb -0.55 0.52 -0.02 0.00 -0.57 0.00 0.00 34.95 34.32 1k8d s ARG 44 CO 0.42 -0.45 1.32 1.41 -1.08 0.00 0.00 175.30 176.92 1k8d s MET 45 N -3.13 4.24 0.08 3.89 -2.45 -1.26 -4.19 119.30 116.48 1k8d s MET 45 Ca -0.02 1.76 0.07 0.00 -1.25 0.00 0.00 55.69 56.25 1k8d s MET 45 Cb -0.00 -3.76 -0.03 0.00 1.25 0.00 0.00 34.83 32.28 1k8d s MET 45 CO -0.07 -0.69 -0.18 -2.00 1.05 0.00 0.00 175.02 173.13 1k8d s GLU 46 N 3.37 1.02 0.40 4.11 2.12 0.18 -4.81 118.70 125.09 1k8d s GLU 46 Ca 0.58 -1.04 -0.25 0.00 0.36 0.00 0.00 54.97 54.62 1k8d s GLU 46 Cb -0.24 -1.16 -0.08 0.00 0.26 0.00 0.00 34.13 32.90 1k8d s GLU 46 CO 0.18 0.27 1.18 -1.25 -0.54 0.00 0.00 175.26 175.10 1k8d s PRO 47 N -1.74 4.05 0.00 4.30 0.04 -1.26 -0.79 135.00 139.60 1k8d s PRO 47 Ca 0.03 1.86 0.00 0.00 0.04 0.00 0.00 61.00 62.94 1k8d s PRO 47 Cb -0.10 -2.68 0.00 0.00 0.04 0.00 0.00 34.50 31.76 1k8d s PRO 47 CO 0.03 -0.33 0.68 0.54 0.04 0.00 0.00 177.00 177.96 1k8d n ARG 48 N 0.08 1.21 -4.45 4.56 5.12 0.41 -4.85 116.66 118.75 1k8d n ARG 48 Ca 0.04 -0.90 -0.20 0.00 -1.93 0.00 0.00 57.85 54.86 1k8d n ARG 48 Cb 0.46 -0.80 -0.15 0.00 -1.16 0.00 0.00 32.46 30.81 1k8d n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1k8d s ALA 49 N -0.45 0.89 0.50 7.54 0.00 -1.18 -4.66 121.76 124.40 1k8d s ALA 49 Ca 0.00 -0.48 0.17 0.00 0.00 0.00 0.00 51.96 51.65 1k8d s ALA 49 Cb 0.00 -0.22 1.23 0.00 0.00 0.00 0.00 23.12 24.13 1k8d s ALA 49 CO 0.00 0.21 2.11 0.00 0.00 0.00 0.00 175.76 178.08 1k8d h ARG 50 N 5.83 0.00 0.00 0.00 3.08 -1.94 -1.81 114.38 119.54 1k8d h ARG 50 Ca -0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.73 1k8d h ARG 50 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.22 1k8d h ARG 50 CO 0.49 0.06 0.00 -2.67 -1.07 0.00 0.00 179.97 176.78 1k8d n TRP 51 N -4.40 0.00 -0.02 3.04 4.27 -1.26 -2.67 117.44 116.39 1k8d n TRP 51 Ca -0.03 0.00 0.09 0.00 -3.89 0.00 0.00 57.50 53.67 1k8d n TRP 51 Cb 0.14 0.00 0.20 0.00 -1.36 0.00 0.00 31.31 30.29 1k8d n TRP 51 CO 0.00 0.00 0.00 -1.33 -2.29 0.00 0.00 177.69 174.07 1k8d n MET 52 N -0.98 2.45 0.00 -2.67 2.81 -0.68 -4.50 117.12 113.55 1k8d n MET 52 Ca 0.21 -2.16 0.14 0.00 -1.81 0.00 0.00 57.70 54.08 1k8d n MET 52 Cb 0.10 -1.40 0.57 0.00 -0.71 0.00 0.00 33.22 31.78 1k8d n MET 52 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1k8d n GLU 53 N 1.07 0.72 -1.13 0.03 1.02 -1.09 -3.76 120.64 117.50 1k8d n GLU 53 Ca 0.16 -0.28 -0.14 0.00 -0.02 0.00 0.00 57.16 56.88 1k8d n GLU 53 Cb 0.51 -1.49 0.15 0.00 -0.02 0.00 0.00 31.44 30.58 1k8d n GLU 53 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1k8d n GLN 54 N -0.89 2.28 0.05 3.49 1.13 -1.26 -4.61 117.38 117.56 1k8d n GLN 54 Ca 0.14 -3.35 0.11 0.00 -1.94 0.00 0.00 57.00 51.97 1k8d n GLN 54 Cb 0.29 -2.00 0.02 0.00 0.11 0.00 0.00 30.24 28.66 1k8d n GLN 54 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 1k8d n GLU 55 N -1.04 0.42 -0.34 -1.09 -0.58 -1.25 -5.09 120.64 111.67 1k8d n GLU 55 Ca 0.42 0.03 0.04 0.00 -0.42 0.00 0.00 57.16 57.23 1k8d n GLU 55 Cb 1.05 -1.67 -0.02 0.00 -0.57 0.00 0.00 31.44 30.23 1k8d n GLU 55 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1k8d n GLY 56 N 1.30 -2.71 0.14 0.62 0.00 -1.26 -4.32 105.19 98.95 1k8d n GLY 56 Ca 0.01 -1.36 -0.06 0.00 0.00 0.00 0.00 46.02 44.61 1k8d n GLY 56 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1k8d h PRO 57 N -0.33 0.04 -0.63 1.61 0.11 -1.99 -3.16 132.00 127.64 1k8d h PRO 57 Ca -0.04 -0.00 0.12 0.00 0.11 0.00 0.00 66.00 66.18 1k8d h PRO 57 Cb 0.33 -0.01 -0.12 0.00 0.11 0.00 0.00 31.00 31.30 1k8d h PRO 57 CO 0.02 0.03 -0.24 1.49 -0.21 0.00 0.00 178.00 179.08 1k8d h GLU 58 N 0.04 -0.07 -0.15 1.05 4.81 -2.00 -0.02 114.58 118.24 1k8d h GLU 58 Ca 0.15 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.43 1k8d h GLU 58 Cb 0.22 0.02 -0.07 0.00 0.63 0.00 0.00 28.75 29.55 1k8d h GLU 58 CO -0.29 -0.05 -0.43 -0.92 -0.73 0.00 0.00 179.01 176.60 1k8d h TYR 59 N -0.08 -1.23 -0.68 0.92 3.20 -1.74 -1.75 116.97 115.62 1k8d h TYR 59 Ca 0.28 0.05 -0.07 0.00 3.14 0.00 0.00 58.73 62.14 1k8d h TYR 59 Cb 0.52 0.56 -0.03 0.00 1.54 0.00 0.00 36.73 39.32 1k8d h TYR 59 CO -0.58 -0.48 0.16 -1.49 -1.64 0.00 0.00 178.16 174.13 1k8d h TRP 60 N -0.49 1.14 -0.05 -3.82 4.06 -1.49 -1.86 115.95 113.45 1k8d h TRP 60 Ca 0.08 -0.14 0.04 0.00 2.06 0.00 0.00 58.89 60.93 1k8d h TRP 60 Cb 0.63 -0.32 -0.06 0.00 -1.00 0.00 0.00 29.16 28.41 1k8d h TRP 60 CO -0.50 0.94 -0.36 1.49 -3.56 0.00 0.00 178.44 176.45 1k8d h GLU 61 N 1.02 -0.47 0.11 0.49 4.81 -0.66 0.77 114.58 120.66 1k8d h GLU 61 Ca 0.21 0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.49 1k8d h GLU 61 Cb 0.38 0.11 -0.05 0.00 0.63 0.00 0.00 28.75 29.82 1k8d h GLU 61 CO 0.00 -0.31 -0.43 -0.09 -0.73 0.00 0.00 179.01 177.45 1k8d h ARG 62 N -0.49 -0.63 -0.53 1.92 9.65 -1.16 0.11 114.38 123.25 1k8d h ARG 62 Ca 0.07 0.04 0.06 0.00 -1.10 0.00 0.00 59.98 59.05 1k8d h ARG 62 Cb 0.59 0.14 -0.05 0.00 -1.39 0.00 0.00 29.97 29.26 1k8d h ARG 62 CO -0.32 -0.42 0.23 0.93 2.80 0.00 0.00 179.97 183.19 1k8d h GLU 63 N -0.66 0.43 -0.95 0.20 4.39 -0.91 -0.02 114.58 117.05 1k8d h GLU 63 Ca 0.02 -0.03 0.08 0.00 0.34 0.00 0.00 59.36 59.77 1k8d h GLU 63 Cb 0.69 -0.10 -0.07 0.00 -0.10 0.00 0.00 28.75 29.17 1k8d h GLU 63 CO -0.25 0.28 0.62 1.15 -1.16 0.00 0.00 179.01 179.65 1k8d h THR 64 N 0.44 1.05 -0.01 1.13 2.02 0.11 0.24 112.91 117.88 1k8d h THR 64 Ca 0.25 -0.36 -0.00 0.00 0.77 0.00 0.00 66.41 67.06 1k8d h THR 64 Cb 0.22 -0.11 -0.00 0.00 -1.74 0.00 0.00 68.15 66.52 1k8d h THR 64 CO -0.21 0.19 0.00 -0.61 0.37 0.00 0.00 175.52 175.26 1k8d h GLN 65 N 1.06 0.02 -0.51 6.66 4.15 0.94 -1.67 115.11 125.75 1k8d h GLN 65 Ca 0.42 -0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.80 1k8d h GLN 65 Cb 0.25 -0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.91 1k8d h GLN 65 CO -0.17 0.18 0.17 0.82 -1.93 0.00 0.00 178.83 177.90 1k8d h ILE 66 N -0.15 1.23 -0.88 2.39 1.08 -0.47 -2.26 117.51 118.45 1k8d h ILE 66 Ca 0.00 -0.74 0.07 0.00 -0.39 0.00 0.00 64.86 63.80 1k8d h ILE 66 Cb 0.17 0.74 -0.06 0.00 -3.07 0.00 0.00 36.82 34.60 1k8d h ILE 66 CO -0.00 0.27 0.54 0.00 -0.69 0.00 0.00 178.15 178.28 1k8d h ALA 67 N 1.03 1.22 -0.44 1.87 0.00 -0.45 -1.31 119.26 121.19 1k8d h ALA 67 Ca 0.17 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.96 1k8d h ALA 67 Cb 0.25 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1k8d h ALA 67 CO -0.01 0.27 -0.18 0.87 0.00 0.00 0.00 179.25 180.20 1k8d h LYS 68 N 0.97 0.85 0.04 0.00 1.57 -1.02 0.13 116.57 119.11 1k8d h LYS 68 Ca 0.39 -0.33 0.01 0.00 -1.87 0.00 0.00 60.65 58.85 1k8d h LYS 68 Cb 0.21 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 1k8d h LYS 68 CO -0.19 0.96 -0.09 0.78 -0.57 0.00 0.00 179.45 180.35 1k8d h GLY 69 N 0.95 -0.13 1.06 3.86 0.00 -0.76 0.28 103.07 108.33 1k8d h GLY 69 Ca 0.11 0.10 0.01 0.00 0.00 0.00 0.00 47.33 47.55 1k8d h GLY 69 CO 0.05 -0.09 0.62 0.45 0.00 0.00 0.00 176.54 177.58 1k8d h HIS 70 N -0.17 1.21 -0.58 5.60 3.86 -1.06 -1.08 115.15 122.93 1k8d h HIS 70 Ca 0.02 0.02 0.05 0.00 -1.16 0.00 0.00 60.37 59.30 1k8d h HIS 70 Cb 0.19 -0.41 -0.05 0.00 1.06 0.00 0.00 27.41 28.20 1k8d h HIS 70 CO -0.13 0.77 0.31 1.49 0.86 0.00 0.00 177.93 181.22 1k8d h GLU 71 N 1.30 0.57 -0.42 2.45 4.81 0.23 0.15 114.58 123.67 1k8d h GLU 71 Ca 0.35 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.51 1k8d h GLU 71 Cb -0.14 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.10 1k8d h GLU 71 CO -0.07 0.38 0.13 1.96 -0.73 0.00 0.00 179.01 180.67 1k8d h GLN 72 N 0.59 0.65 -0.55 1.92 1.08 -0.30 -1.46 115.11 117.03 1k8d h GLN 72 Ca 0.25 -0.14 0.01 0.00 -1.45 0.00 0.00 58.65 57.32 1k8d h GLN 72 Cb 0.14 -0.09 -0.03 0.00 -0.05 0.00 0.00 27.48 27.45 1k8d h GLN 72 CO -0.16 0.64 0.36 0.66 -0.95 0.00 0.00 178.83 179.38 1k8d h SER 73 N 0.53 0.62 0.50 1.46 4.64 -0.38 -0.78 113.55 120.13 1k8d h SER 73 Ca 0.13 -0.01 -0.13 0.00 -0.47 0.00 0.00 61.79 61.31 1k8d h SER 73 Cb 0.26 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.18 1k8d h SER 73 CO -0.00 0.44 -0.57 -0.26 -0.87 0.00 0.00 176.83 175.57 1k8d h PHE 74 N 0.73 0.10 -0.12 4.77 -1.00 -0.20 0.65 116.94 121.87 1k8d h PHE 74 Ca 0.20 -0.04 -0.02 0.00 2.81 0.00 0.00 57.97 60.93 1k8d h PHE 74 Cb -0.06 -0.02 -0.00 0.00 3.61 0.00 0.00 35.95 39.48 1k8d h PHE 74 CO -0.00 0.64 0.02 0.00 -1.61 0.00 0.00 178.31 177.35 1k8d h ARG 75 N 0.06 0.20 -0.32 1.51 3.08 -0.14 -0.17 114.38 118.59 1k8d h ARG 75 Ca -0.00 -0.06 -0.13 0.00 0.07 0.00 0.00 59.98 59.86 1k8d h ARG 75 Cb 1.03 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.05 1k8d h ARG 75 CO 0.08 0.41 -0.34 0.78 -1.07 0.00 0.00 179.97 179.83 1k8d h GLY 76 N -0.03 0.78 1.08 0.04 0.00 -1.07 -2.86 103.07 101.01 1k8d h GLY 76 Ca 0.04 -0.74 -0.06 0.00 0.00 0.00 0.00 47.33 46.56 1k8d h GLY 76 CO 0.00 0.67 0.21 1.76 0.00 0.00 0.00 176.54 179.19 1k8d h SER 77 N 0.61 1.07 0.05 0.19 0.02 0.45 -0.47 113.55 115.47 1k8d h SER 77 Ca 0.06 -0.21 0.01 0.00 -0.84 0.00 0.00 61.79 60.82 1k8d h SER 77 Cb 0.86 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 63.10 1k8d h SER 77 CO 0.07 1.00 -0.13 -0.07 -1.14 0.00 0.00 176.83 176.57 1k8d h LEU 78 N 1.09 -0.36 -1.20 5.07 3.38 -0.91 0.25 115.31 122.63 1k8d h LEU 78 Ca 0.23 0.05 0.06 0.00 0.09 0.00 0.00 57.88 58.31 1k8d h LEU 78 Cb 0.33 0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.17 1k8d h LEU 78 CO -0.00 -0.19 0.56 -0.09 0.09 0.00 0.00 178.44 178.81 1k8d h ARG 79 N -0.24 0.95 -0.09 1.13 2.43 -1.28 0.58 114.38 117.87 1k8d h ARG 79 Ca 0.03 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.11 1k8d h ARG 79 Cb 0.27 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 29.61 1k8d h ARG 79 CO -0.09 0.63 -0.09 1.15 -1.51 0.00 0.00 179.97 180.06 1k8d h THR 80 N 0.98 1.36 -0.87 0.20 2.02 -0.40 -2.50 112.91 113.71 1k8d h THR 80 Ca 0.36 -1.24 0.01 0.00 0.77 0.00 0.00 66.41 66.31 1k8d h THR 80 Cb 0.16 2.00 -0.04 0.00 -1.74 0.00 0.00 68.15 68.52 1k8d h THR 80 CO -0.12 0.35 0.58 0.00 0.37 0.00 0.00 175.52 176.69 1k8d h ALA 81 N 0.57 1.40 -0.90 6.16 0.00 -0.17 0.57 119.26 126.88 1k8d h ALA 81 Ca 0.01 -0.06 0.10 0.00 0.00 0.00 0.00 54.91 54.97 1k8d h ALA 81 Cb 0.60 -0.34 -0.07 0.00 0.00 0.00 0.00 17.79 17.98 1k8d h ALA 81 CO 0.02 0.55 0.58 0.37 0.00 0.00 0.00 179.25 180.77 1k8d h GLN 82 N 1.16 0.85 0.01 0.00 4.15 -0.71 -1.55 115.11 119.02 1k8d h GLN 82 Ca 0.33 -0.05 -0.00 0.00 0.77 0.00 0.00 58.65 59.69 1k8d h GLN 82 Cb -0.10 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 27.40 1k8d h GLN 82 CO -0.08 0.56 -0.01 0.66 -1.93 0.00 0.00 178.83 178.04 1k8d h SER 83 N 0.87 -0.01 -1.11 -0.69 4.64 -0.66 0.20 113.55 116.79 1k8d h SER 83 Ca 0.42 -0.79 0.31 0.00 -0.47 0.00 0.00 61.79 61.26 1k8d h SER 83 Cb 0.44 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.45 1k8d h SER 83 CO -0.18 0.83 0.74 1.88 -0.87 0.00 0.00 176.83 179.22 1k8d h TYR 84 N -0.90 0.44 -0.15 4.77 0.05 -0.67 0.73 116.97 121.25 1k8d h TYR 84 Ca -0.00 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.79 1k8d h TYR 84 Cb 0.80 -0.13 0.00 0.00 1.01 0.00 0.00 36.73 38.42 1k8d h TYR 84 CO 0.21 0.02 0.00 0.66 -1.05 0.00 0.00 178.16 178.00 1k8d n TYR 85 N -4.50 0.17 -3.94 4.88 4.01 -0.61 -4.84 117.16 112.33 1k8d n TYR 85 Ca 0.26 -0.09 -0.42 0.00 -0.16 0.00 0.00 57.90 57.49 1k8d n TYR 85 Cb 1.04 -0.00 0.03 0.00 -0.31 0.00 0.00 39.34 40.10 1k8d n TYR 85 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1k8d n ASN 86 N 1.24 -4.56 -4.83 7.72 4.13 0.25 -4.94 115.26 114.28 1k8d n ASN 86 Ca 0.14 -1.20 -0.38 0.00 1.68 0.00 0.00 54.58 54.82 1k8d n ASN 86 Cb 0.54 -2.22 -0.06 0.00 -1.54 0.00 0.00 39.78 36.50 1k8d n ASN 86 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 1k8d s GLN 87 N -6.92 3.94 1.10 3.52 -0.21 0.56 -5.01 119.66 116.64 1k8d s GLN 87 Ca 0.48 0.39 -0.14 0.00 0.02 0.00 0.00 55.36 56.11 1k8d s GLN 87 Cb -0.24 -3.24 0.19 0.00 1.00 0.00 0.00 33.01 30.73 1k8d s GLN 87 CO 0.94 0.65 0.68 -1.13 -2.12 0.00 0.00 175.29 174.31 1k8d n SER 88 N 1.98 -1.68 -4.79 5.90 3.41 -1.26 -4.83 113.62 112.35 1k8d n SER 88 Ca -0.14 -0.02 -0.29 0.00 -0.26 0.00 0.00 58.87 58.16 1k8d n SER 88 Cb 0.52 -1.20 0.11 0.00 -0.26 0.00 0.00 64.21 63.39 1k8d n SER 88 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1k8d s LYS 89 N -4.08 1.66 0.00 4.33 1.02 -1.26 -4.06 119.74 117.35 1k8d s LYS 89 Ca 0.64 0.52 0.00 0.00 0.02 0.00 0.00 55.97 57.15 1k8d s LYS 89 Cb -0.21 -1.88 0.00 0.00 -0.52 0.00 0.00 37.83 35.22 1k8d s LYS 89 CO 0.65 -1.89 0.00 0.41 -0.92 0.00 0.00 175.35 173.60 1k8d n GLY 90 N -2.06 0.58 3.95 -3.33 0.00 -1.26 -5.02 105.19 98.05 1k8d n GLY 90 Ca 0.07 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.85 1k8d n GLY 90 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1k8d s GLY 91 N -2.00 1.42 -0.17 -0.02 0.00 -1.26 -4.76 107.32 100.53 1k8d s GLY 91 Ca 0.00 -0.99 -0.08 0.00 0.00 0.00 0.00 44.72 43.65 1k8d s GLY 91 CO 0.00 -0.96 0.10 -0.56 0.00 0.00 0.00 173.10 171.68 1k8d s SER 92 N -3.78 5.99 0.01 1.64 0.01 -1.26 -4.63 113.70 111.68 1k8d s SER 92 Ca 0.38 0.22 -0.00 0.00 1.31 0.00 0.00 55.95 57.86 1k8d s SER 92 Cb -0.10 -2.00 -0.01 0.00 0.21 0.00 0.00 66.02 64.12 1k8d s SER 92 CO 0.32 0.24 -0.01 -1.00 0.41 0.00 0.00 173.24 173.20 1k8d s HIS 93 N -0.00 0.10 0.03 2.43 3.76 -1.26 -4.94 115.29 115.41 1k8d s HIS 93 Ca 0.08 -0.20 0.03 0.00 -0.15 0.00 0.00 55.06 54.81 1k8d s HIS 93 Cb -0.12 -0.08 -0.04 0.00 1.11 0.00 0.00 32.58 33.46 1k8d s HIS 93 CO 0.00 -0.08 -0.00 0.95 -0.85 0.00 0.00 174.74 174.76 1k8d s THR 94 N -0.61 4.07 -0.09 1.30 -4.23 -1.26 -1.46 115.64 113.37 1k8d s THR 94 Ca -0.07 -0.76 0.01 0.00 -1.18 0.00 0.00 61.69 59.70 1k8d s THR 94 Cb -0.04 -2.86 0.02 0.00 1.34 0.00 0.00 72.50 70.96 1k8d s THR 94 CO -0.00 0.28 -0.11 -0.22 -0.54 0.00 0.00 174.62 174.03 1k8d s LEU 95 N -1.83 1.46 0.12 4.79 2.96 0.15 -0.68 118.68 125.65 1k8d s LEU 95 Ca 0.22 -0.32 0.10 0.00 -0.22 0.00 0.00 54.13 53.91 1k8d s LEU 95 Cb -0.12 -0.86 -0.04 0.00 0.50 0.00 0.00 46.19 45.67 1k8d s LEU 95 CO 0.13 -0.04 -0.25 -1.10 -1.32 0.00 0.00 176.35 173.77 1k8d s GLN 96 N 1.16 1.32 -0.11 1.98 -0.21 -0.25 -0.18 119.66 123.35 1k8d s GLN 96 Ca -0.05 -1.30 -0.07 0.00 0.02 0.00 0.00 55.36 53.97 1k8d s GLN 96 Cb -0.14 -1.74 0.04 0.00 1.00 0.00 0.00 33.01 32.17 1k8d s GLN 96 CO -0.02 0.41 0.28 -0.46 -2.12 0.00 0.00 175.29 173.37 1k8d s TRP 97 N -1.11 -0.37 -0.10 0.91 -0.00 -0.30 -1.42 118.94 116.56 1k8d s TRP 97 Ca 0.12 0.85 -0.05 0.00 -0.00 0.00 0.00 56.10 57.03 1k8d s TRP 97 Cb -0.10 0.09 0.05 0.00 -0.00 0.00 0.00 33.47 33.51 1k8d s TRP 97 CO 0.06 -0.23 0.22 0.00 -0.00 0.00 0.00 176.95 176.99 1k8d s MET 98 N 1.05 0.17 0.07 5.86 0.23 -0.79 0.42 119.30 126.30 1k8d s MET 98 Ca -0.07 0.50 -0.07 0.00 -1.03 0.00 0.00 55.69 55.02 1k8d s MET 98 Cb -0.08 -0.14 -0.01 0.00 -1.53 0.00 0.00 34.83 33.07 1k8d s MET 98 CO -0.07 -0.17 0.13 1.52 -2.03 0.00 0.00 175.02 174.40 1k8d s TYR 99 N 1.33 0.21 -1.07 3.16 -0.85 -1.01 -1.36 117.35 117.76 1k8d s TYR 99 Ca -0.08 -0.62 0.00 0.00 -0.52 0.00 0.00 57.07 55.85 1k8d s TYR 99 Cb -0.11 -0.13 0.00 0.00 0.38 0.00 0.00 41.96 42.10 1k8d s TYR 99 CO -0.08 -0.47 0.00 0.41 -1.52 0.00 0.00 175.55 173.89 1k8d n GLY 100 N 0.21 -1.47 3.03 5.49 0.00 -0.06 -1.41 105.19 110.98 1k8d n GLY 100 Ca -0.16 -1.06 -0.20 0.00 0.00 0.00 0.00 46.02 44.59 1k8d n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k8d s ASP 102 N 0.00 6.23 -0.17 0.00 1.01 0.19 -1.71 116.67 122.23 1k8d s ASP 102 Ca -0.00 0.34 -0.02 0.00 0.71 0.00 0.00 52.55 53.58 1k8d s ASP 102 Cb -0.07 -2.05 -0.01 0.00 1.01 0.00 0.00 42.92 41.80 1k8d s ASP 102 CO 0.00 0.31 -0.09 -0.32 0.21 0.00 0.00 175.17 175.28 1k8d s MET 103 N -0.40 3.40 1.01 8.23 -2.45 0.14 0.15 119.30 129.38 1k8d s MET 103 Ca 0.12 -0.65 -0.14 0.00 -1.25 0.00 0.00 55.69 53.76 1k8d s MET 103 Cb -0.12 -2.81 0.20 0.00 1.25 0.00 0.00 34.83 33.35 1k8d s MET 103 CO 0.01 0.04 1.14 0.20 1.05 0.00 0.00 175.02 177.46 1k8d s GLY 104 N 0.83 1.59 0.22 2.11 0.00 0.69 -1.24 107.32 111.52 1k8d s GLY 104 Ca -0.03 -0.65 -0.08 0.00 0.00 0.00 0.00 44.72 43.97 1k8d s GLY 104 CO 0.01 0.03 1.81 1.76 0.00 0.00 0.00 173.10 176.71 1k8d h SER 105 N -1.89 0.60 0.01 1.64 0.02 -1.86 0.23 113.55 112.29 1k8d h SER 105 Ca -0.50 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 1k8d h SER 105 Cb 1.32 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.77 1k8d h SER 105 CO 0.52 0.38 0.00 -0.90 -1.14 0.00 0.00 176.83 175.69 1k8d n ASP 106 N -4.76 0.00 0.00 3.07 3.85 -1.26 -4.77 116.55 112.68 1k8d n ASP 106 Ca 0.10 0.42 0.00 0.00 -0.71 0.00 0.00 54.79 54.60 1k8d n ASP 106 Cb 0.20 -0.42 0.00 0.00 -1.35 0.00 0.00 41.12 39.55 1k8d n ASP 106 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1k8d n GLY 107 N -1.40 1.40 3.92 6.12 0.00 0.79 -5.04 105.19 110.98 1k8d n GLY 107 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 1k8d n GLY 107 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1k8d s ARG 108 N -0.43 3.26 0.17 1.61 0.52 -1.26 -4.73 118.95 118.10 1k8d s ARG 108 Ca 0.00 -0.06 -0.32 0.00 -0.52 0.00 0.00 55.73 54.83 1k8d s ARG 108 Cb 0.00 -2.42 -0.11 0.00 0.52 0.00 0.00 34.95 32.94 1k8d s ARG 108 CO 0.00 -0.31 1.73 -1.17 0.02 0.00 0.00 175.30 175.57 1k8d s LEU 109 N -4.72 4.38 -0.14 2.53 2.96 -1.26 -0.22 118.68 122.20 1k8d s LEU 109 Ca 0.48 2.77 -0.16 0.00 -0.22 0.00 0.00 54.13 57.01 1k8d s LEU 109 Cb -0.10 -3.59 -0.24 0.00 0.50 0.00 0.00 46.19 42.76 1k8d s LEU 109 CO 0.42 -0.96 0.42 0.25 -1.32 0.00 0.00 176.35 175.17 1k8d h LEU 110 N 7.52 0.25 0.00 -0.68 6.46 -0.61 -3.44 115.31 124.82 1k8d h LEU 110 Ca -0.44 -0.77 0.00 0.00 -0.12 0.00 0.00 57.88 56.55 1k8d h LEU 110 Cb 1.21 -0.08 0.00 0.00 -0.73 0.00 0.00 40.66 41.05 1k8d h LEU 110 CO 0.95 1.60 0.00 -2.11 -0.62 0.00 0.00 178.44 178.26 1k8d n ARG 111 N -4.02 0.00 -4.52 1.25 1.85 -1.15 -5.00 116.66 105.06 1k8d n ARG 111 Ca -0.28 0.00 -0.25 0.00 -1.00 0.00 0.00 57.85 56.32 1k8d n ARG 111 Cb 0.84 0.00 -0.11 0.00 -1.05 0.00 0.00 32.46 32.15 1k8d n ARG 111 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 1k8d s GLY 112 N 0.00 2.17 0.09 2.89 0.00 -1.26 -0.64 107.32 110.56 1k8d s GLY 112 Ca 0.00 -2.09 -0.26 0.00 0.00 0.00 0.00 44.72 42.37 1k8d s GLY 112 CO 0.00 -1.98 0.63 -2.52 0.00 0.00 0.00 173.10 169.23 1k8d s TYR 113 N -2.79 -0.57 -0.29 1.90 1.13 -0.51 -4.85 117.35 111.37 1k8d s TYR 113 Ca 0.33 0.58 -0.14 0.00 -1.41 0.00 0.00 57.07 56.42 1k8d s TYR 113 Cb 0.05 0.51 0.14 0.00 -1.10 0.00 0.00 41.96 41.56 1k8d s TYR 113 CO 0.16 -0.76 0.88 -1.17 -2.51 0.00 0.00 175.55 172.14 1k8d s LEU 114 N -2.24 -0.72 0.15 -3.49 0.20 -1.26 -0.88 118.68 110.45 1k8d s LEU 114 Ca -0.03 1.04 -0.13 0.00 0.69 0.00 0.00 54.13 55.70 1k8d s LEU 114 Cb -0.01 1.90 0.01 0.00 -0.43 0.00 0.00 46.19 47.67 1k8d s LEU 114 CO -0.06 -0.15 0.37 0.00 -0.29 0.00 0.00 176.35 176.22 1k8d s GLN 115 N 2.16 1.15 0.24 1.98 -2.07 -0.47 -1.19 119.66 121.46 1k8d s GLN 115 Ca -0.06 -0.93 0.07 0.00 -1.82 0.00 0.00 55.36 52.62 1k8d s GLN 115 Cb -0.07 0.44 -0.05 0.00 -1.09 0.00 0.00 33.01 32.24 1k8d s GLN 115 CO -0.17 -0.45 -0.09 -0.06 -1.32 0.00 0.00 175.29 173.20 1k8d s PHE 116 N -3.88 1.79 0.02 9.60 0.40 0.51 -1.89 117.98 124.52 1k8d s PHE 116 Ca 0.09 -0.66 -0.04 0.00 -0.60 0.00 0.00 56.93 55.72 1k8d s PHE 116 Cb 0.02 -0.93 -0.01 0.00 0.51 0.00 0.00 43.02 42.60 1k8d s PHE 116 CO -0.06 0.29 0.07 0.00 0.70 0.00 0.00 175.22 176.22 1k8d s ALA 117 N -3.04 -0.10 -0.05 5.36 0.00 -0.51 -1.36 121.76 122.07 1k8d s ALA 117 Ca 0.26 -0.41 0.00 0.00 0.00 0.00 0.00 51.96 51.81 1k8d s ALA 117 Cb 0.02 0.16 0.02 0.00 0.00 0.00 0.00 23.12 23.32 1k8d s ALA 117 CO 0.09 -0.22 -0.03 -0.47 0.00 0.00 0.00 175.76 175.13 1k8d s TYR 118 N -1.76 0.70 -1.68 0.00 5.04 -0.39 -1.09 117.35 118.16 1k8d s TYR 118 Ca -0.12 -0.19 0.00 0.00 -2.44 0.00 0.00 57.07 54.32 1k8d s TYR 118 Cb -0.06 -0.68 0.00 0.00 0.35 0.00 0.00 41.96 41.56 1k8d s TYR 118 CO -0.01 -0.22 0.00 0.39 -1.34 0.00 0.00 175.55 174.37 1k8d n GLU 119 N 4.33 -1.11 -0.82 4.97 -0.58 0.14 -1.72 120.64 125.86 1k8d n GLU 119 Ca -0.21 1.05 0.00 0.00 -0.42 0.00 0.00 57.16 57.59 1k8d n GLU 119 Cb 0.51 -5.23 0.00 0.00 -0.57 0.00 0.00 31.44 26.15 1k8d n GLU 119 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1k8d n GLY 120 N -1.03 0.56 3.52 0.62 0.00 -1.26 -4.96 105.19 102.65 1k8d n GLY 120 Ca -0.16 -0.23 -0.31 0.00 0.00 0.00 0.00 46.02 45.32 1k8d n GLY 120 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1k8d s ARG 121 N -0.56 2.15 0.21 1.61 0.52 -0.70 -5.05 118.95 117.13 1k8d s ARG 121 Ca 0.00 -0.97 -0.32 0.00 -0.52 0.00 0.00 55.73 53.92 1k8d s ARG 121 Cb 0.00 -2.27 -0.14 0.00 0.52 0.00 0.00 34.95 33.06 1k8d s ARG 121 CO 0.00 0.54 1.49 -0.25 0.02 0.00 0.00 175.30 177.09 1k8d n ASP 122 N 1.22 2.92 0.01 0.23 8.00 -1.26 -1.27 116.55 126.41 1k8d n ASP 122 Ca -0.15 1.12 -0.01 0.00 0.71 0.00 0.00 54.79 56.46 1k8d n ASP 122 Cb 0.52 -1.43 -0.00 0.00 -0.02 0.00 0.00 41.12 40.19 1k8d n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1k8d n TYR 123 N 2.57 0.00 -3.92 1.24 9.36 -0.47 -4.77 117.16 121.17 1k8d n TYR 123 Ca 0.14 0.00 -0.11 0.00 3.32 0.00 0.00 57.90 61.25 1k8d n TYR 123 Cb 0.30 -0.04 -0.13 0.00 -0.63 0.00 0.00 39.34 38.85 1k8d n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 1k8d s ILE 124 N -1.54 0.05 -0.05 2.97 2.07 -1.21 -1.66 121.20 121.83 1k8d s ILE 124 Ca -0.02 -0.44 -0.06 0.00 -1.41 0.00 0.00 60.65 58.72 1k8d s ILE 124 Cb 0.00 -0.14 0.01 0.00 0.13 0.00 0.00 42.46 42.47 1k8d s ILE 124 CO 0.03 -0.24 0.16 0.00 -1.91 0.00 0.00 174.94 172.98 1k8d s ALA 125 N -0.70 -0.39 0.10 1.50 0.00 -0.41 -0.36 121.76 121.50 1k8d s ALA 125 Ca -0.08 0.36 -0.30 0.00 0.00 0.00 0.00 51.96 51.94 1k8d s ALA 125 Cb -0.05 -0.21 -0.06 0.00 0.00 0.00 0.00 23.12 22.81 1k8d s ALA 125 CO -0.00 -0.10 0.97 -1.17 0.00 0.00 0.00 175.76 175.46 1k8d s LEU 126 N -0.16 4.48 0.79 0.00 2.96 -0.33 0.33 118.68 126.75 1k8d s LEU 126 Ca -0.02 1.80 -0.12 0.00 -0.22 0.00 0.00 54.13 55.56 1k8d s LEU 126 Cb -0.02 -3.59 0.07 0.00 0.50 0.00 0.00 46.19 43.15 1k8d s LEU 126 CO 0.00 -0.10 1.11 0.20 -1.32 0.00 0.00 176.35 176.24 1k8d s ASN 127 N 0.12 4.59 0.27 3.68 0.01 0.18 -4.58 114.94 119.19 1k8d s ASN 127 Ca 0.48 1.18 0.13 0.00 -0.71 0.00 0.00 52.86 53.94 1k8d s ASN 127 Cb -0.23 -1.89 0.73 0.00 0.41 0.00 0.00 41.25 40.26 1k8d s ASN 127 CO 0.30 -1.89 1.33 -0.62 -1.51 0.00 0.00 177.10 174.71 1k8d n GLU 128 N -3.37 0.09 0.14 -0.60 -0.58 -1.26 0.46 120.64 115.51 1k8d n GLU 128 Ca 0.07 0.56 0.12 0.00 -0.42 0.00 0.00 57.16 57.49 1k8d n GLU 128 Cb 0.57 -1.97 0.20 0.00 -0.57 0.00 0.00 31.44 29.67 1k8d n GLU 128 CO 0.00 0.00 0.00 0.38 -0.48 0.00 0.00 177.13 177.03 1k8d h ASP 129 N 0.00 0.00 -1.59 1.62 -0.00 -1.90 -3.47 116.42 111.09 1k8d h ASP 129 Ca 0.00 -0.04 -0.31 0.00 -0.00 0.00 0.00 57.03 56.68 1k8d h ASP 129 Cb 0.35 0.00 -0.06 0.00 -0.00 0.00 0.00 39.33 39.62 1k8d h ASP 129 CO 0.00 0.02 -0.35 0.18 -0.00 0.00 0.00 179.24 179.09 1k8d n LEU 130 N -2.61 -1.46 0.00 0.15 4.32 0.17 -4.80 117.00 112.77 1k8d n LEU 130 Ca 0.03 0.15 0.00 0.00 -0.02 0.00 0.00 56.01 56.17 1k8d n LEU 130 Cb 0.49 -2.28 0.00 0.00 -1.62 0.00 0.00 43.42 40.01 1k8d n LEU 130 CO 0.35 -0.43 -0.23 0.29 -1.22 0.00 0.00 177.39 176.15 1k8d n LYS 131 N -2.51 2.52 -4.40 3.23 5.02 -1.26 -4.39 118.16 116.37 1k8d n LYS 131 Ca -0.17 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 55.92 1k8d n LYS 131 Cb 0.58 -0.73 -0.10 0.00 -0.02 0.00 0.00 35.03 34.77 1k8d n LYS 131 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1k8d s THR 132 N -1.19 1.81 0.26 -0.18 -4.23 -1.26 -4.81 115.64 106.04 1k8d s THR 132 Ca 0.00 -2.20 0.09 0.00 -1.18 0.00 0.00 61.69 58.40 1k8d s THR 132 Cb 0.00 -2.24 -0.04 0.00 1.34 0.00 0.00 72.50 71.55 1k8d s THR 132 CO 0.00 -0.45 -0.01 0.26 -0.54 0.00 0.00 174.62 173.88 1k8d s TRP 133 N -2.92 2.69 -0.26 3.99 0.52 -1.26 0.47 118.94 122.17 1k8d s TRP 133 Ca 0.26 -0.22 0.01 0.00 0.02 0.00 0.00 56.10 56.17 1k8d s TRP 133 Cb 0.00 -1.20 0.05 0.00 -1.15 0.00 0.00 33.47 31.17 1k8d s TRP 133 CO 0.10 0.61 -0.08 0.99 0.02 0.00 0.00 176.95 178.59 1k8d s THR 134 N -2.26 2.47 -0.21 2.01 2.01 0.15 -4.85 115.64 114.95 1k8d s THR 134 Ca 0.31 -1.43 -0.08 0.00 0.31 0.00 0.00 61.69 60.79 1k8d s THR 134 Cb -0.07 -2.38 -0.04 0.00 0.01 0.00 0.00 72.50 70.02 1k8d s THR 134 CO 0.19 0.03 0.09 0.00 -0.69 0.00 0.00 174.62 174.25 1k8d s ALA 135 N 1.19 3.42 0.19 7.40 0.00 -1.26 -1.28 121.76 131.42 1k8d s ALA 135 Ca -0.06 -0.86 0.03 0.00 0.00 0.00 0.00 51.96 51.07 1k8d s ALA 135 Cb -0.19 -2.08 0.10 0.00 0.00 0.00 0.00 23.12 20.96 1k8d s ALA 135 CO -0.05 -0.06 1.45 0.28 0.00 0.00 0.00 175.76 177.39 1k8d h VAL 136 N 5.04 1.43 -4.39 0.00 2.07 -1.62 -3.45 116.25 115.34 1k8d h VAL 136 Ca -0.37 -2.30 -0.33 0.00 0.82 0.00 0.00 66.70 64.51 1k8d h VAL 136 Cb 1.17 2.24 -0.10 0.00 -1.52 0.00 0.00 31.29 33.08 1k8d h VAL 136 CO 0.66 0.68 -0.31 1.51 0.02 0.00 0.00 177.57 180.13 1k8d s ASP 137 N -6.92 1.10 0.28 0.57 1.47 -1.26 -5.01 116.67 106.90 1k8d s ASP 137 Ca -0.04 -1.56 0.02 0.00 1.18 0.00 0.00 52.55 52.16 1k8d s ASP 137 Cb 0.11 0.61 0.62 0.00 -0.34 0.00 0.00 42.92 43.92 1k8d s ASP 137 CO 0.82 -1.20 1.78 0.24 0.68 0.00 0.00 175.17 177.49 1k8d h MET 138 N 2.15 0.70 0.13 2.11 2.86 -1.99 0.09 114.93 120.98 1k8d h MET 138 Ca -0.28 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.33 1k8d h MET 138 Cb 1.24 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 32.73 1k8d h MET 138 CO 0.39 0.46 -0.12 0.00 1.06 0.00 0.00 176.91 178.70 1k8d h ALA 139 N 1.59 -0.24 -0.80 6.32 0.00 -1.96 -2.10 119.26 122.07 1k8d h ALA 139 Ca 0.52 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.44 1k8d h ALA 139 Cb 0.74 0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.65 1k8d h ALA 139 CO -0.36 -0.65 0.50 0.00 0.00 0.00 0.00 179.25 178.73 1k8d h ALA 140 N 0.58 1.08 -0.89 0.00 0.00 -1.53 -1.58 119.26 116.92 1k8d h ALA 140 Ca 0.00 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.98 1k8d h ALA 140 Cb 0.26 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 1k8d h ALA 140 CO -0.03 0.25 0.58 1.96 0.00 0.00 0.00 179.25 182.01 1k8d h GLN 141 N 0.93 0.91 0.07 0.00 4.20 -0.58 0.35 115.11 120.99 1k8d h GLN 141 Ca 0.34 -0.05 0.02 0.00 0.06 0.00 0.00 58.65 59.01 1k8d h GLN 141 Cb 0.12 -0.21 -0.03 0.00 0.30 0.00 0.00 27.48 27.67 1k8d h GLN 141 CO -0.15 0.60 -0.17 0.82 -0.67 0.00 0.00 178.83 179.26 1k8d h ILE 142 N 0.94 0.61 -0.91 2.54 2.04 -0.63 0.69 117.51 122.79 1k8d h ILE 142 Ca 0.40 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.36 1k8d h ILE 142 Cb 0.32 0.61 -0.07 0.00 -0.74 0.00 0.00 36.82 36.94 1k8d h ILE 142 CO -0.16 0.00 0.59 0.74 0.00 0.00 0.00 178.15 179.31 1k8d h THR 143 N -0.31 0.96 0.20 -0.27 2.02 -0.87 -2.25 112.91 112.39 1k8d h THR 143 Ca 0.03 -0.31 -0.00 0.00 0.77 0.00 0.00 66.41 66.90 1k8d h THR 143 Cb 0.34 -0.02 -0.00 0.00 -1.74 0.00 0.00 68.15 66.73 1k8d h THR 143 CO -0.11 0.16 -0.13 -0.09 0.37 0.00 0.00 175.52 175.72 1k8d h ARG 144 N 0.90 -0.31 -0.88 6.66 2.43 0.14 -0.44 114.38 122.87 1k8d h ARG 144 Ca 0.43 0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.66 1k8d h ARG 144 Cb 0.43 0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 29.99 1k8d h ARG 144 CO -0.19 -0.21 0.57 0.00 -1.51 0.00 0.00 179.97 178.63 1k8d h ARG 145 N -0.32 1.05 0.18 0.20 3.08 -0.46 0.10 114.38 118.20 1k8d h ARG 145 Ca -0.02 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 1k8d h ARG 145 Cb 0.27 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 30.09 1k8d h ARG 145 CO 0.01 0.69 -0.09 0.87 -1.07 0.00 0.00 179.97 180.39 1k8d h LYS 146 N 1.08 -0.23 0.00 0.04 1.57 -1.13 -0.41 116.57 117.48 1k8d h LYS 146 Ca 0.36 0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 59.12 1k8d h LYS 146 Cb 0.05 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 1k8d h LYS 146 CO -0.13 -0.10 -0.16 -1.49 -0.57 0.00 0.00 179.45 177.00 1k8d h TRP 147 N -0.31 0.00 -0.28 -1.35 6.55 -0.65 -0.67 115.95 119.24 1k8d h TRP 147 Ca -0.02 0.00 -0.09 0.00 0.95 0.00 0.00 58.89 59.73 1k8d h TRP 147 Cb 0.24 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.53 1k8d h TRP 147 CO -0.04 0.16 -0.16 0.93 -1.05 0.00 0.00 178.44 178.27 1k8d h GLU 148 N 0.00 0.61 -0.23 0.49 5.08 -0.43 -1.68 114.58 118.42 1k8d h GLU 148 Ca -0.00 -0.28 -0.04 0.00 -1.00 0.00 0.00 59.36 58.04 1k8d h GLU 148 Cb 0.29 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1k8d h GLU 148 CO 0.02 0.86 -0.05 1.96 -1.00 0.00 0.00 179.01 180.80 1k8d h GLN 149 N 0.35 0.35 -0.04 2.33 4.20 -0.18 -2.31 115.11 119.80 1k8d h GLN 149 Ca 0.06 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1k8d h GLN 149 Cb 0.69 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.42 1k8d h GLN 149 CO 0.05 0.42 0.00 0.00 -0.67 0.00 0.00 178.83 178.62 1k8d n ALA 150 N -2.49 2.57 -2.83 3.87 0.00 -0.34 -4.92 120.51 116.37 1k8d n ALA 150 Ca 0.00 -0.44 -0.20 0.00 0.00 0.00 0.00 53.44 52.80 1k8d n ALA 150 Cb 0.24 -1.18 0.01 0.00 0.00 0.00 0.00 19.45 18.52 1k8d n ALA 150 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k8d n GLY 151 N 1.15 -0.51 0.30 0.00 0.00 -0.82 -4.87 105.19 100.45 1k8d n GLY 151 Ca 0.19 0.07 -0.05 0.00 0.00 0.00 0.00 46.02 46.22 1k8d n GLY 151 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1k8d h ILE 152 N -0.69 1.24 -0.36 -0.61 2.04 -1.60 -2.82 117.51 114.72 1k8d h ILE 152 Ca -0.45 -0.95 0.06 0.00 1.00 0.00 0.00 64.86 64.53 1k8d h ILE 152 Cb 1.32 0.71 -0.06 0.00 -0.74 0.00 0.00 36.82 38.05 1k8d h ILE 152 CO 0.52 0.35 0.02 0.00 0.00 0.00 0.00 178.15 179.03 1k8d h ALA 153 N 1.23 0.34 -0.79 1.87 0.00 -1.88 0.18 119.26 120.21 1k8d h ALA 153 Ca 0.18 0.10 0.12 0.00 0.00 0.00 0.00 54.91 55.31 1k8d h ALA 153 Cb 0.39 0.16 -0.09 0.00 0.00 0.00 0.00 17.79 18.25 1k8d h ALA 153 CO 0.01 -0.38 0.39 0.93 0.00 0.00 0.00 179.25 180.20 1k8d h GLU 154 N 0.12 0.59 -0.65 0.00 5.08 -1.73 0.16 114.58 118.15 1k8d h GLU 154 Ca 0.18 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.42 1k8d h GLU 154 Cb 0.24 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 1k8d h GLU 154 CO -0.28 0.39 0.07 0.87 -1.00 0.00 0.00 179.01 179.06 1k8d h LYS 155 N 0.61 1.10 -0.25 2.33 1.57 -1.04 -1.97 116.57 118.90 1k8d h LYS 155 Ca 0.41 -0.31 -0.17 0.00 -1.87 0.00 0.00 60.65 58.71 1k8d h LYS 155 Cb 0.53 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.72 1k8d h LYS 155 CO -0.33 1.02 -0.53 -0.44 -0.57 0.00 0.00 179.45 178.61 1k8d h ASP 156 N 1.02 0.82 -0.61 0.86 3.32 0.27 -2.03 116.42 120.06 1k8d h ASP 156 Ca 0.19 -0.43 -0.00 0.00 0.02 0.00 0.00 57.03 56.81 1k8d h ASP 156 Cb 0.48 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.77 1k8d h ASP 156 CO 0.02 1.19 0.37 -0.61 -1.72 0.00 0.00 179.24 178.49 1k8d h GLN 157 N 0.57 0.83 -0.12 3.56 4.15 -0.61 0.48 115.11 123.98 1k8d h GLN 157 Ca 0.02 -0.07 -0.00 0.00 0.77 0.00 0.00 58.65 59.36 1k8d h GLN 157 Cb 1.10 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 28.61 1k8d h GLN 157 CO 0.11 0.59 0.06 0.00 -1.93 0.00 0.00 178.83 177.66 1k8d h ALA 158 N 1.19 0.15 -0.24 3.38 0.00 -1.25 0.02 119.26 122.51 1k8d h ALA 158 Ca 0.22 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1k8d h ALA 158 Cb -0.03 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1k8d h ALA 158 CO -0.04 -0.29 0.07 -0.92 0.00 0.00 0.00 179.25 178.07 1k8d h TYR 159 N 0.07 0.38 -0.38 0.00 3.20 -1.05 0.21 116.97 119.39 1k8d h TYR 159 Ca 0.04 -0.04 -0.04 0.00 3.14 0.00 0.00 58.73 61.83 1k8d h TYR 159 Cb 0.11 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.25 1k8d h TYR 159 CO -0.03 0.44 0.08 -0.07 -1.64 0.00 0.00 178.16 176.94 1k8d h LEU 160 N 0.21 0.52 0.00 2.82 3.38 0.10 0.65 115.31 122.99 1k8d h LEU 160 Ca 0.08 -0.08 -0.20 0.00 0.09 0.00 0.00 57.88 57.77 1k8d h LEU 160 Cb 0.24 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 1k8d h LEU 160 CO -0.00 0.54 -1.43 -0.33 0.09 0.00 0.00 178.44 177.31 1k8d h GLU 161 N 0.55 0.00 0.00 1.13 5.08 -0.92 -3.36 114.58 117.07 1k8d h GLU 161 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1k8d h GLU 161 Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1k8d h GLU 161 CO -0.00 0.37 0.00 0.41 -1.00 0.00 0.00 179.01 178.79 1k8d n GLY 162 N 1.43 -0.06 0.30 -3.84 0.00 0.71 -4.45 105.19 99.27 1k8d n GLY 162 Ca -0.11 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.00 1k8d n GLY 162 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1k8d h THR 163 N 0.00 0.26 -0.66 2.61 2.02 -1.53 0.24 112.91 115.85 1k8d h THR 163 Ca 0.00 -0.03 0.04 0.00 0.77 0.00 0.00 66.41 67.19 1k8d h THR 163 Cb 0.00 0.15 -0.05 0.00 -1.74 0.00 0.00 68.15 66.52 1k8d h THR 163 CO 0.00 0.02 0.39 0.00 0.37 0.00 0.00 175.52 176.30 1k8d h MET 165 N 0.75 0.26 -0.19 0.00 2.07 -1.10 -2.13 114.93 114.60 1k8d h MET 165 Ca 0.28 -0.22 -0.06 0.00 -2.07 0.00 0.00 59.70 57.63 1k8d h MET 165 Cb 0.08 0.05 -0.00 0.00 -1.87 0.00 0.00 31.60 29.85 1k8d h MET 165 CO -0.13 0.87 -0.10 1.96 1.07 0.00 0.00 176.91 180.58 1k8d h GLN 166 N 0.18 0.40 -0.25 1.72 4.20 -0.13 -2.34 115.11 118.89 1k8d h GLN 166 Ca -0.02 -0.18 -0.11 0.00 0.06 0.00 0.00 58.65 58.39 1k8d h GLN 166 Cb 1.27 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 29.03 1k8d h GLN 166 CO 0.11 0.70 -0.32 0.66 -0.67 0.00 0.00 178.83 179.31 1k8d h SER 167 N 0.09 0.55 0.76 1.46 4.64 -1.08 -1.55 113.55 118.41 1k8d h SER 167 Ca 0.04 -0.21 -0.03 0.00 -0.47 0.00 0.00 61.79 61.11 1k8d h SER 167 Cb 0.59 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 62.53 1k8d h SER 167 CO 0.03 0.84 -0.44 0.25 -0.87 0.00 0.00 176.83 176.64 1k8d h LEU 168 N 0.45 -1.09 -0.85 5.97 5.85 -1.29 0.95 115.31 125.30 1k8d h LEU 168 Ca 0.05 0.06 0.19 0.00 0.84 0.00 0.00 57.88 59.01 1k8d h LEU 168 Cb 0.79 0.31 -0.11 0.00 0.37 0.00 0.00 40.66 42.01 1k8d h LEU 168 CO 0.06 -0.69 0.37 0.03 -0.34 0.00 0.00 178.44 177.87 1k8d h ARG 169 N -1.11 0.43 -0.03 1.25 3.08 -1.40 0.44 114.38 117.04 1k8d h ARG 169 Ca -0.10 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 59.92 1k8d h ARG 169 Cb 0.88 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.83 1k8d h ARG 169 CO 0.12 0.29 0.01 -0.09 -1.07 0.00 0.00 179.97 179.23 1k8d h ARG 170 N 0.45 0.04 -0.12 0.04 2.43 -0.73 0.01 114.38 116.50 1k8d h ARG 170 Ca 0.50 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.60 1k8d h ARG 170 Cb 0.87 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.40 1k8d h ARG 170 CO -0.47 0.14 -0.21 1.88 -1.51 0.00 0.00 179.97 179.79 1k8d h TYR 171 N -0.06 0.21 -0.42 2.20 0.05 0.27 0.50 116.97 119.71 1k8d h TYR 171 Ca 0.01 -0.03 -0.06 0.00 0.05 0.00 0.00 58.73 58.69 1k8d h TYR 171 Cb 0.11 -0.06 -0.02 0.00 1.01 0.00 0.00 36.73 37.77 1k8d h TYR 171 CO -0.04 0.40 -0.01 -0.07 -1.05 0.00 0.00 178.16 177.40 1k8d h LEU 172 N 0.18 0.65 0.38 3.88 3.38 0.17 0.28 115.31 124.23 1k8d h LEU 172 Ca 0.03 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 1k8d h LEU 172 Cb 0.48 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1k8d h LEU 172 CO 0.03 0.72 -0.18 -0.33 0.09 0.00 0.00 178.44 178.77 1k8d h GLU 173 N 0.64 -0.49 -0.06 1.13 5.08 0.99 -0.05 114.58 121.82 1k8d h GLU 173 Ca 0.13 0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.55 1k8d h GLU 173 Cb 0.41 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.74 1k8d h GLU 173 CO 0.02 -0.25 -0.12 -0.07 -1.00 0.00 0.00 179.01 177.58 1k8d h LEU 174 N -0.65 -0.37 -1.14 1.33 3.38 -0.61 -2.57 115.31 114.68 1k8d h LEU 174 Ca -0.05 0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1k8d h LEU 174 Cb 0.47 0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1k8d h LEU 174 CO 0.09 -0.17 0.00 0.61 0.09 0.00 0.00 178.44 179.05 1k8d n GLY 175 N -1.26 1.05 0.00 0.83 0.00 0.96 -4.69 105.19 102.08 1k8d n GLY 175 Ca -0.04 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1k8d n GLY 175 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1k8d n LYS 176 N 0.04 0.00 0.00 1.61 5.02 -0.04 0.10 118.16 124.90 1k8d n LYS 176 Ca 0.05 0.32 0.00 0.00 -2.02 0.00 0.00 58.31 56.66 1k8d n LYS 176 Cb 0.32 -0.58 0.00 0.00 -0.02 0.00 0.00 35.03 34.75 1k8d n LYS 176 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1k8d n GLU 177 N -1.20 0.00 0.00 1.97 1.02 -1.26 -1.33 120.64 119.84 1k8d n GLU 177 Ca 0.00 0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 1k8d n GLU 177 Cb 0.00 -1.56 0.00 0.00 -0.02 0.00 0.00 31.44 29.86 1k8d n GLU 177 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1k8d n THR 178 N -0.82 0.00 0.04 2.62 -2.24 -0.07 -4.58 114.28 109.23 1k8d n THR 178 Ca 0.00 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.73 1k8d n THR 178 Cb 0.06 -0.13 0.16 0.00 -2.10 0.00 0.00 70.33 68.32 1k8d n THR 178 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1k8d h LEU 179 N 0.00 0.42 0.00 3.22 3.38 1.00 -3.04 115.31 120.28 1k8d h LEU 179 Ca 0.00 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1k8d h LEU 179 Cb 0.13 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1k8d h LEU 179 CO 0.00 0.80 -0.94 0.18 0.09 0.00 0.00 178.44 178.57 1k8d n LEU 180 N -4.01 0.64 -4.59 1.67 4.77 -0.44 -4.90 117.00 110.14 1k8d n LEU 180 Ca -0.02 -0.09 -0.29 0.00 -0.03 0.00 0.00 56.01 55.59 1k8d n LEU 180 Cb 0.51 -0.11 0.21 0.00 -2.33 0.00 0.00 43.42 41.70 1k8d n LEU 180 CO 0.44 0.09 0.59 0.00 -1.33 0.00 0.00 177.39 177.17 1k8d s ARG 181 N -3.14 -0.10 -0.43 3.23 1.70 -1.15 -5.00 118.95 114.07 1k8d s ARG 181 Ca 0.05 0.78 0.08 0.00 -0.47 0.00 0.00 55.73 56.18 1k8d s ARG 181 Cb 0.15 -1.65 0.32 0.00 -0.57 0.00 0.00 34.95 33.20 1k8d s ARG 181 CO 0.79 -3.16 0.91 2.41 -1.08 0.00 0.00 175.30 175.18 1k8d n THR 182 N -4.51 -0.11 -1.40 4.99 -1.04 -1.26 -4.76 114.28 106.19 1k8d n THR 182 Ca 0.05 -2.81 -0.58 0.00 -2.04 0.00 0.00 64.05 58.67 1k8d n THR 182 Cb 0.55 0.61 -0.10 0.00 -1.82 0.00 0.00 70.33 69.57 1k8d n THR 182 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1k8d n ASP 183 N 0.53 1.32 -4.80 8.00 10.43 -0.98 -3.90 116.55 127.15 1k8d n ASP 183 Ca 0.14 0.70 -0.32 0.00 2.57 0.00 0.00 54.79 57.88 1k8d n ASP 183 Cb 0.67 -1.02 0.02 0.00 1.84 0.00 0.00 41.12 42.63 1k8d n ASP 183 CO 0.00 0.00 0.00 -2.16 -1.07 0.00 0.00 177.20 173.97 1k8d s PRO 184 N 5.52 3.16 0.52 -0.24 0.04 -1.26 -0.73 135.00 142.01 1k8d s PRO 184 Ca 1.14 1.20 -0.21 0.00 0.04 0.00 0.00 61.00 63.16 1k8d s PRO 184 Cb -1.29 -2.01 -0.06 0.00 0.04 0.00 0.00 34.50 31.18 1k8d s PRO 184 CO 0.63 -0.94 1.22 -2.14 0.04 0.00 0.00 177.00 175.81 1k8d s PRO 185 N -4.23 3.35 -0.44 0.56 0.02 -1.26 -4.39 135.00 128.61 1k8d s PRO 185 Ca 0.63 1.90 -0.13 0.00 0.02 0.00 0.00 61.00 63.42 1k8d s PRO 185 Cb -0.16 -2.21 0.06 0.00 0.02 0.00 0.00 34.50 32.21 1k8d s PRO 185 CO 0.41 -0.92 0.32 0.15 -0.33 0.00 0.00 177.00 176.63 1k8d s LYS 186 N -2.97 2.88 -0.08 5.54 -0.14 0.93 -4.81 119.74 121.09 1k8d s LYS 186 Ca 0.70 -1.28 0.00 0.00 -1.36 0.00 0.00 55.97 54.04 1k8d s LYS 186 Cb -0.32 -3.98 -0.03 0.00 -1.68 0.00 0.00 37.83 31.83 1k8d s LYS 186 CO 0.37 -0.92 -0.07 0.00 -0.76 0.00 0.00 175.35 173.97 1k8d s ALA 187 N 1.59 2.95 0.08 5.17 0.00 -1.25 -0.27 121.76 130.03 1k8d s ALA 187 Ca 0.04 -0.89 -0.11 0.00 0.00 0.00 0.00 51.96 51.00 1k8d s ALA 187 Cb -0.22 -1.26 0.01 0.00 0.00 0.00 0.00 23.12 21.65 1k8d s ALA 187 CO 0.06 0.51 0.25 -3.38 0.00 0.00 0.00 175.76 173.20 1k8d s HIS 188 N -0.59 0.03 -0.10 0.00 -3.43 -0.86 -4.99 115.29 105.34 1k8d s HIS 188 Ca 0.09 -0.36 -0.00 0.00 -0.80 0.00 0.00 55.06 53.98 1k8d s HIS 188 Cb -0.12 0.03 -0.03 0.00 -1.43 0.00 0.00 32.58 31.04 1k8d s HIS 188 CO 0.02 -0.56 -0.08 0.08 -2.00 0.00 0.00 174.74 172.20 1k8d s VAL 189 N -3.49 3.58 0.17 -5.38 1.01 -1.26 -0.64 120.40 114.38 1k8d s VAL 189 Ca 0.02 -0.50 0.08 0.00 0.00 0.00 0.00 61.98 61.58 1k8d s VAL 189 Cb 0.03 -2.50 -0.04 0.00 0.00 0.00 0.00 36.38 33.87 1k8d s VAL 189 CO -0.09 0.55 -0.07 0.42 0.00 0.00 0.00 175.10 175.91 1k8d s THR 190 N -0.25 3.35 -0.09 3.92 -4.23 0.13 -4.94 115.64 113.53 1k8d s THR 190 Ca 0.03 -1.55 -0.01 0.00 -1.18 0.00 0.00 61.69 58.98 1k8d s THR 190 Cb -0.13 -2.66 -0.03 0.00 1.34 0.00 0.00 72.50 71.02 1k8d s THR 190 CO 0.03 -0.09 -0.03 -2.28 -0.54 0.00 0.00 174.62 171.71 1k8d s HIS 191 N -1.66 3.07 -0.09 3.99 2.46 -1.26 -0.17 115.29 121.64 1k8d s HIS 191 Ca 0.25 0.07 -0.05 0.00 0.47 0.00 0.00 55.06 55.80 1k8d s HIS 191 Cb -0.09 -1.79 0.04 0.00 -0.13 0.00 0.00 32.58 30.61 1k8d s HIS 191 CO 0.16 0.35 0.21 -1.01 -2.47 0.00 0.00 174.74 171.98 1k8d s HIS 192 N -0.67 -0.26 0.56 3.88 3.76 0.53 -4.94 115.29 118.14 1k8d s HIS 192 Ca 0.10 0.66 -0.20 0.00 -0.15 0.00 0.00 55.06 55.47 1k8d s HIS 192 Cb -0.12 0.01 -0.05 0.00 1.11 0.00 0.00 32.58 33.54 1k8d s HIS 192 CO 0.02 -0.19 1.24 -1.25 -0.85 0.00 0.00 174.74 173.71 1k8d s PRO 193 N 1.05 3.15 0.00 8.40 0.04 -1.26 0.12 135.00 146.50 1k8d s PRO 193 Ca -0.08 1.93 0.00 0.00 0.04 0.00 0.00 61.00 62.89 1k8d s PRO 193 Cb -0.09 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.35 1k8d s PRO 193 CO -0.06 -1.09 0.00 -2.13 0.04 0.00 0.00 177.00 173.75 1k8d n ARG 194 N -1.25 0.00 0.00 4.56 0.63 -1.08 -4.67 116.66 114.85 1k8d n ARG 194 Ca 0.12 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.05 1k8d n ARG 194 Cb 0.48 -0.14 0.00 0.00 0.45 0.00 0.00 32.46 33.25 1k8d n ARG 194 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 1k8d n SER 195 N -2.18 0.20 0.06 6.15 3.41 -0.78 -5.00 113.62 115.48 1k8d n SER 195 Ca 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.57 1k8d n SER 195 Cb 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 63.87 1k8d n SER 195 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 1k8d h TYR 196 N 0.00 0.00 0.00 7.33 3.20 -2.02 -3.38 116.97 122.10 1k8d h TYR 196 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1k8d h TYR 196 Cb 0.00 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.27 1k8d h TYR 196 CO 0.00 0.80 -0.07 0.41 -1.64 0.00 0.00 178.16 177.66 1k8d n GLY 197 N 1.36 0.69 3.01 1.82 0.00 -1.26 -4.94 105.19 105.87 1k8d n GLY 197 Ca -0.04 -0.16 -0.18 0.00 0.00 0.00 0.00 46.02 45.64 1k8d n GLY 197 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k8d s ALA 198 N -0.74 0.68 0.28 4.61 0.00 -1.26 0.13 121.76 125.46 1k8d s ALA 198 Ca 0.04 -0.35 0.07 0.00 0.00 0.00 0.00 51.96 51.72 1k8d s ALA 198 Cb 0.04 -0.17 -0.06 0.00 0.00 0.00 0.00 23.12 22.93 1k8d s ALA 198 CO 0.00 0.17 -0.06 0.14 0.00 0.00 0.00 175.76 176.01 1k8d s VAL 199 N -0.20 1.67 -0.21 0.00 -7.23 0.59 -1.86 120.40 113.16 1k8d s VAL 199 Ca 0.03 -2.13 -0.05 0.00 -1.81 0.00 0.00 61.98 58.03 1k8d s VAL 199 Cb -0.03 -2.47 -0.02 0.00 0.56 0.00 0.00 36.38 34.41 1k8d s VAL 199 CO -0.00 -0.28 -0.00 -0.89 -0.31 0.00 0.00 175.10 173.61 1k8d s THR 200 N -3.00 3.90 -0.31 5.32 2.01 0.33 0.16 115.64 124.06 1k8d s THR 200 Ca 0.30 -0.33 -0.13 0.00 0.31 0.00 0.00 61.69 61.84 1k8d s THR 200 Cb 0.04 -2.77 -0.03 0.00 0.01 0.00 0.00 72.50 69.75 1k8d s THR 200 CO 0.12 0.42 0.25 -0.76 -0.69 0.00 0.00 174.62 173.97 1k8d s LEU 201 N 1.11 4.27 -0.22 4.42 1.43 -0.81 -0.34 118.68 128.54 1k8d s LEU 201 Ca 0.02 -0.16 -0.05 0.00 -1.03 0.00 0.00 54.13 52.91 1k8d s LEU 201 Cb -0.14 -2.19 -0.02 0.00 0.03 0.00 0.00 46.19 43.86 1k8d s LEU 201 CO 0.01 -0.18 0.00 -0.60 0.23 0.00 0.00 176.35 175.82 1k8d s ARG 202 N 1.82 3.54 -0.31 1.70 3.52 0.77 -1.73 118.95 128.26 1k8d s ARG 202 Ca 0.08 -0.55 -0.15 0.00 -0.13 0.00 0.00 55.73 54.98 1k8d s ARG 202 Cb -0.17 -3.11 -0.02 0.00 -1.56 0.00 0.00 34.95 30.10 1k8d s ARG 202 CO 0.11 -0.11 0.38 0.00 -0.81 0.00 0.00 175.30 174.87 1k8d s TRP 204 N 2.07 3.36 -0.21 0.00 0.52 0.18 -1.13 118.94 123.73 1k8d s TRP 204 Ca 0.14 0.32 0.01 0.00 0.02 0.00 0.00 56.10 56.59 1k8d s TRP 204 Cb -0.16 -1.88 0.05 0.00 -1.15 0.00 0.00 33.47 30.33 1k8d s TRP 204 CO 0.11 0.55 -0.10 0.00 0.02 0.00 0.00 176.95 177.54 1k8d s ALA 205 N -0.83 2.07 0.19 0.98 0.00 0.22 -2.04 121.76 122.36 1k8d s ALA 205 Ca 0.13 -1.29 0.11 0.00 0.00 0.00 0.00 51.96 50.90 1k8d s ALA 205 Cb -0.12 -1.33 -0.04 0.00 0.00 0.00 0.00 23.12 21.63 1k8d s ALA 205 CO 0.03 -0.90 -0.19 -0.51 0.00 0.00 0.00 175.76 174.19 1k8d s LEU 206 N 1.36 2.62 -1.52 0.00 1.43 0.63 -2.15 118.68 121.05 1k8d s LEU 206 Ca -0.03 -0.78 -0.13 0.00 -1.03 0.00 0.00 54.13 52.17 1k8d s LEU 206 Cb -0.17 -1.33 0.08 0.00 0.03 0.00 0.00 46.19 44.81 1k8d s LEU 206 CO -0.08 0.11 0.90 0.61 0.23 0.00 0.00 176.35 178.12 1k8d n GLY 207 N 0.16 -0.50 3.98 -3.19 0.00 -0.90 -0.05 105.19 104.69 1k8d n GLY 207 Ca -0.12 0.18 -0.19 0.00 0.00 0.00 0.00 46.02 45.89 1k8d n GLY 207 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1k8d s PHE 208 N -3.24 3.15 -0.28 1.61 -0.71 -1.04 -4.59 117.98 112.87 1k8d s PHE 208 Ca 0.62 -0.20 -0.16 0.00 -1.04 0.00 0.00 56.93 56.15 1k8d s PHE 208 Cb -0.31 -1.92 0.10 0.00 -1.21 0.00 0.00 43.02 39.68 1k8d s PHE 208 CO 0.77 0.07 0.78 -0.47 -1.34 0.00 0.00 175.22 175.03 1k8d s TYR 209 N -2.16 -0.90 1.34 3.49 5.04 0.09 -0.07 117.35 124.18 1k8d s TYR 209 Ca 0.43 1.82 -0.22 0.00 -2.44 0.00 0.00 57.07 56.67 1k8d s TYR 209 Cb -0.09 0.54 0.34 0.00 0.35 0.00 0.00 41.96 43.09 1k8d s TYR 209 CO 0.30 -0.45 1.02 -2.14 -1.34 0.00 0.00 175.55 172.95 1k8d s PRO 210 N 1.49 -2.27 0.41 4.97 0.02 -1.26 -2.32 135.00 136.04 1k8d s PRO 210 Ca -0.09 -0.03 0.21 0.00 0.02 0.00 0.00 61.00 61.11 1k8d s PRO 210 Cb -0.05 -1.47 0.84 0.00 0.02 0.00 0.00 34.50 33.85 1k8d s PRO 210 CO -0.18 -4.41 1.80 0.00 -0.33 0.00 0.00 177.00 173.89 1k8d h ALA 211 N -3.08 1.05 -2.12 -1.55 0.00 -1.93 -3.44 119.26 108.20 1k8d h ALA 211 Ca -0.43 -0.27 -0.57 0.00 0.00 0.00 0.00 54.91 53.64 1k8d h ALA 211 Cb 1.31 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 19.06 1k8d h ALA 211 CO 0.29 0.37 1.40 0.34 0.00 0.00 0.00 179.25 181.65 1k8d s ASP 212 N -6.35 5.81 0.06 0.00 2.15 -1.26 -4.94 116.67 112.13 1k8d s ASP 212 Ca -0.00 2.18 -0.06 0.00 0.43 0.00 0.00 52.55 55.10 1k8d s ASP 212 Cb 0.11 -2.52 -0.01 0.00 -0.30 0.00 0.00 42.92 40.20 1k8d s ASP 212 CO 0.66 -1.64 0.10 -0.51 -0.17 0.00 0.00 175.17 173.61 1k8d s ILE 213 N 6.93 0.16 -0.15 4.11 2.07 -1.26 -4.66 121.20 128.39 1k8d s ILE 213 Ca 0.96 -1.29 0.00 0.00 -1.41 0.00 0.00 60.65 58.91 1k8d s ILE 213 Cb -0.37 -1.20 0.03 0.00 0.13 0.00 0.00 42.46 41.05 1k8d s ILE 213 CO 0.37 -0.71 -0.10 -0.89 -1.91 0.00 0.00 174.94 171.70 1k8d s THR 214 N -3.37 1.37 -0.10 4.00 2.01 0.11 -4.99 115.64 114.68 1k8d s THR 214 Ca 0.01 -0.62 0.04 0.00 0.31 0.00 0.00 61.69 61.44 1k8d s THR 214 Cb 0.03 -1.38 0.00 0.00 0.01 0.00 0.00 72.50 71.16 1k8d s THR 214 CO -0.08 0.33 -0.23 -0.76 -0.69 0.00 0.00 174.62 173.18 1k8d s LEU 215 N 1.55 2.06 -0.06 4.42 1.43 -1.26 -0.22 118.68 126.61 1k8d s LEU 215 Ca 0.03 -0.55 -0.08 0.00 -1.03 0.00 0.00 54.13 52.50 1k8d s LEU 215 Cb -0.14 -1.38 0.02 0.00 0.03 0.00 0.00 46.19 44.72 1k8d s LEU 215 CO -0.09 0.15 0.21 0.42 0.23 0.00 0.00 176.35 177.27 1k8d s THR 216 N 0.39 0.03 -0.10 5.49 -4.23 -0.89 -4.97 115.64 111.36 1k8d s THR 216 Ca -0.18 -0.21 -0.02 0.00 -1.18 0.00 0.00 61.69 60.10 1k8d s THR 216 Cb -0.18 -0.37 -0.03 0.00 1.34 0.00 0.00 72.50 73.26 1k8d s THR 216 CO 0.08 -0.11 -0.00 0.26 -0.54 0.00 0.00 174.62 174.30 1k8d s TRP 217 N -0.37 3.14 0.06 3.99 0.52 -1.26 0.94 118.94 125.95 1k8d s TRP 217 Ca -0.05 0.13 -0.04 0.00 0.02 0.00 0.00 56.10 56.16 1k8d s TRP 217 Cb -0.03 -1.81 -0.02 0.00 -1.15 0.00 0.00 33.47 30.45 1k8d s TRP 217 CO 0.01 0.40 0.07 1.14 0.02 0.00 0.00 176.95 178.59 1k8d s GLN 218 N -0.70 0.68 -0.20 4.98 -2.07 0.21 -0.92 119.66 121.63 1k8d s GLN 218 Ca 0.11 -1.02 0.01 0.00 -1.82 0.00 0.00 55.36 52.64 1k8d s GLN 218 Cb -0.12 0.26 0.04 0.00 -1.09 0.00 0.00 33.01 32.10 1k8d s GLN 218 CO 0.02 -0.17 -0.12 -1.17 -1.32 0.00 0.00 175.29 172.54 1k8d s LEU 219 N -2.71 2.31 -0.83 2.60 0.20 -0.43 -0.74 118.68 119.09 1k8d s LEU 219 Ca 0.03 -0.88 -0.01 0.00 0.69 0.00 0.00 54.13 53.97 1k8d s LEU 219 Cb 0.05 -1.28 0.00 0.00 -0.43 0.00 0.00 46.19 44.53 1k8d s LEU 219 CO -0.09 -0.13 0.61 -3.20 -0.29 0.00 0.00 176.35 173.25 1k8d n ASN 220 N 4.66 -5.06 0.00 3.68 5.15 -1.26 -2.41 115.26 120.02 1k8d n ASN 220 Ca -0.15 -0.91 0.00 0.00 -0.60 0.00 0.00 54.58 52.92 1k8d n ASN 220 Cb 0.47 -1.95 0.00 0.00 -0.53 0.00 0.00 39.78 37.76 1k8d n ASN 220 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1k8d n GLY 221 N -1.67 1.52 3.63 8.20 0.00 -1.26 -4.94 105.19 110.66 1k8d n GLY 221 Ca -0.29 -0.03 -0.47 0.00 0.00 0.00 0.00 46.02 45.23 1k8d n GLY 221 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1k8d n GLU 222 N 0.00 1.63 -3.07 1.61 4.07 -1.01 -4.94 120.64 118.92 1k8d n GLU 222 Ca 0.00 0.58 -0.40 0.00 -0.06 0.00 0.00 57.16 57.29 1k8d n GLU 222 Cb 0.00 -2.20 -0.05 0.00 -0.06 0.00 0.00 31.44 29.13 1k8d n GLU 222 CO 0.00 0.00 0.00 -2.00 -0.06 0.00 0.00 177.13 175.07 1k8d s GLU 223 N -0.03 4.43 -0.23 5.31 2.12 -1.26 -1.31 118.70 127.71 1k8d s GLU 223 Ca 0.74 0.86 -0.03 0.00 0.36 0.00 0.00 54.97 56.90 1k8d s GLU 223 Cb -0.77 -3.43 0.03 0.00 0.26 0.00 0.00 34.13 30.22 1k8d s GLU 223 CO 0.48 0.12 2.56 1.28 -0.54 0.00 0.00 175.26 179.16 1k8d n LEU 224 N 3.60 6.02 -0.33 2.70 4.77 -0.10 -4.74 117.00 128.92 1k8d n LEU 224 Ca -0.02 -3.33 0.27 0.00 -0.03 0.00 0.00 56.01 52.89 1k8d n LEU 224 Cb 0.51 -1.20 0.51 0.00 -2.33 0.00 0.00 43.42 40.91 1k8d n LEU 224 CO 0.47 1.43 1.01 0.00 -1.33 0.00 0.00 177.39 178.96 1k8d h THR 225 N 1.49 0.04 0.00 -5.08 1.03 -1.93 -1.75 112.91 106.72 1k8d h THR 225 Ca 0.25 -0.01 -0.21 0.00 -0.01 0.00 0.00 66.41 66.43 1k8d h THR 225 Cb 1.00 -0.00 -0.03 0.00 -1.07 0.00 0.00 68.15 68.04 1k8d h THR 225 CO 0.55 0.01 -1.16 1.56 -0.01 0.00 0.00 175.52 176.47 1k8d h GLN 226 N 0.04 0.00 -0.01 0.00 4.20 -1.98 -3.31 115.11 114.06 1k8d h GLN 226 Ca 0.78 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.49 1k8d h GLN 226 Cb 1.94 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.72 1k8d h GLN 226 CO -0.78 0.66 -0.07 -0.25 -0.67 0.00 0.00 178.83 177.72 1k8d n ASP 227 N -3.17 0.66 -4.67 1.46 8.00 -0.69 -4.89 116.55 113.25 1k8d n ASP 227 Ca -0.06 -0.91 -0.41 0.00 0.71 0.00 0.00 54.79 54.12 1k8d n ASP 227 Cb 0.92 -0.03 -0.04 0.00 -0.02 0.00 0.00 41.12 41.95 1k8d n ASP 227 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 1k8d s MET 228 N -2.26 4.30 -0.18 -1.24 1.75 -1.02 -4.06 119.30 116.59 1k8d s MET 228 Ca 0.35 0.95 -0.14 0.00 -1.25 0.00 0.00 55.69 55.59 1k8d s MET 228 Cb 0.21 -3.56 -0.04 0.00 2.84 0.00 0.00 34.83 34.27 1k8d s MET 228 CO 0.42 -0.27 0.31 -2.00 -0.65 0.00 0.00 175.02 172.83 1k8d s GLU 229 N 1.95 4.22 -0.05 4.11 2.12 0.22 -4.90 118.70 126.38 1k8d s GLU 229 Ca 0.37 0.09 0.05 0.00 0.36 0.00 0.00 54.97 55.84 1k8d s GLU 229 Cb -0.17 -3.47 -0.01 0.00 0.26 0.00 0.00 34.13 30.75 1k8d s GLU 229 CO 0.13 0.15 -0.20 -1.17 -0.54 0.00 0.00 175.26 173.62 1k8d s LEU 230 N 0.75 1.98 -0.03 2.70 0.20 -1.26 -0.02 118.68 123.00 1k8d s LEU 230 Ca 0.16 -0.41 -0.03 0.00 0.69 0.00 0.00 54.13 54.54 1k8d s LEU 230 Cb -0.13 -1.12 -0.04 0.00 -0.43 0.00 0.00 46.19 44.46 1k8d s LEU 230 CO 0.05 0.19 0.18 0.54 -0.29 0.00 0.00 176.35 177.02 1k8d s VAL 231 N -0.06 5.45 0.51 1.68 0.11 -1.08 -5.04 120.40 121.97 1k8d s VAL 231 Ca -0.03 -0.10 -0.23 0.00 -2.93 0.00 0.00 61.98 58.69 1k8d s VAL 231 Cb -0.12 -3.52 -0.06 0.00 -1.53 0.00 0.00 36.38 31.15 1k8d s VAL 231 CO 0.03 0.37 1.34 -1.83 -3.33 0.00 0.00 175.10 171.67 1k8d s GLU 232 N -1.80 3.35 0.33 1.54 -1.05 -1.26 -4.59 118.70 115.22 1k8d s GLU 232 Ca 0.25 2.19 -0.29 0.00 -0.15 0.00 0.00 54.97 56.97 1k8d s GLU 232 Cb -0.13 -2.36 -0.11 0.00 -0.44 0.00 0.00 34.13 31.09 1k8d s GLU 232 CO 0.16 -1.01 1.55 2.41 0.95 0.00 0.00 175.26 179.33 1k8d n THR 233 N -0.77 1.44 -4.17 1.83 -1.04 -1.26 -4.84 114.28 105.47 1k8d n THR 233 Ca 0.09 -0.36 -0.18 0.00 -2.04 0.00 0.00 64.05 61.56 1k8d n THR 233 Cb 0.45 -1.97 -0.12 0.00 -1.82 0.00 0.00 70.33 66.87 1k8d n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1k8d s ARG 234 N -1.19 0.79 0.01 -2.82 1.70 -0.04 -4.97 118.95 112.44 1k8d s ARG 234 Ca 0.59 -0.93 -0.30 0.00 -0.47 0.00 0.00 55.73 54.63 1k8d s ARG 234 Cb -0.49 -0.78 -0.03 0.00 -0.57 0.00 0.00 34.95 33.08 1k8d s ARG 234 CO 0.55 0.17 1.01 -1.25 -1.08 0.00 0.00 175.30 174.70 1k8d s PRO 235 N -1.70 4.55 0.51 3.89 0.04 -1.26 0.39 135.00 141.42 1k8d s PRO 235 Ca -0.03 1.46 0.30 0.00 0.04 0.00 0.00 61.00 62.77 1k8d s PRO 235 Cb -0.10 -3.44 1.10 0.00 0.04 0.00 0.00 34.50 32.10 1k8d s PRO 235 CO 0.02 -0.06 1.89 0.00 0.04 0.00 0.00 177.00 178.89 1k8d h ALA 236 N 6.75 1.00 0.00 8.56 0.00 -1.29 -3.47 119.26 130.81 1k8d h ALA 236 Ca -0.41 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1k8d h ALA 236 Cb 1.22 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1k8d h ALA 236 CO 0.76 0.07 0.00 0.41 0.00 0.00 0.00 179.25 180.49 1k8d n GLY 237 N 0.23 1.86 1.31 0.00 0.00 -1.26 -4.91 105.19 102.42 1k8d n GLY 237 Ca 0.01 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.14 1k8d n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1k8d n ASP 238 N 0.00 3.95 0.00 1.61 5.68 -1.26 -4.92 116.55 121.61 1k8d n ASP 238 Ca 0.00 -2.06 0.00 0.00 -0.50 0.00 0.00 54.79 52.23 1k8d n ASP 238 Cb 0.00 -0.47 0.00 0.00 -1.14 0.00 0.00 41.12 39.51 1k8d n ASP 238 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1k8d n GLY 239 N 1.45 1.34 3.83 6.12 0.00 -1.26 -5.07 105.19 111.60 1k8d n GLY 239 Ca 0.23 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.99 1k8d n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1k8d s THR 240 N -2.24 1.81 0.33 2.61 -4.23 -1.26 -4.87 115.64 107.79 1k8d s THR 240 Ca 0.00 -1.63 0.07 0.00 -1.18 0.00 0.00 61.69 58.95 1k8d s THR 240 Cb 0.00 -2.44 -0.07 0.00 1.34 0.00 0.00 72.50 71.34 1k8d s THR 240 CO 0.00 0.00 -0.02 -0.36 -0.54 0.00 0.00 174.62 173.70 1k8d s PHE 241 N -2.72 2.19 0.11 3.99 0.40 0.91 -0.83 117.98 122.02 1k8d s PHE 241 Ca 0.32 -0.70 0.04 0.00 -0.60 0.00 0.00 56.93 55.99 1k8d s PHE 241 Cb 0.00 -1.37 -0.04 0.00 0.51 0.00 0.00 43.02 42.12 1k8d s PHE 241 CO 0.19 0.33 -0.11 -0.65 0.70 0.00 0.00 175.22 175.68 1k8d s GLN 242 N -3.73 0.91 -0.18 0.44 -0.21 0.16 -2.12 119.66 114.93 1k8d s GLN 242 Ca 0.33 -1.22 -0.30 0.00 0.02 0.00 0.00 55.36 54.19 1k8d s GLN 242 Cb 0.06 -0.60 0.14 0.00 1.00 0.00 0.00 33.01 33.61 1k8d s GLN 242 CO 0.15 0.09 1.06 0.21 -2.12 0.00 0.00 175.29 174.68 1k8d s LYS 243 N -2.95 0.51 0.13 2.91 2.20 -0.91 -0.86 119.74 120.77 1k8d s LYS 243 Ca 0.08 0.10 -0.08 0.00 -0.36 0.00 0.00 55.97 55.72 1k8d s LYS 243 Cb -0.02 0.24 -0.01 0.00 -1.51 0.00 0.00 37.83 36.53 1k8d s LYS 243 CO 0.00 -0.16 0.22 1.67 -0.36 0.00 0.00 175.35 176.72 1k8d s TRP 244 N -1.19 0.37 -0.03 4.03 1.48 -1.26 -0.61 118.94 121.73 1k8d s TRP 244 Ca 0.00 -0.76 -0.02 0.00 -1.06 0.00 0.00 56.10 54.26 1k8d s TRP 244 Cb -0.01 -0.11 0.01 0.00 -1.16 0.00 0.00 33.47 32.20 1k8d s TRP 244 CO -0.00 -0.63 0.08 0.00 -4.06 0.00 0.00 176.95 172.34 1k8d s ALA 245 N -3.94 -0.17 0.15 2.67 0.00 -0.28 -2.64 121.76 117.55 1k8d s ALA 245 Ca 0.13 0.28 0.05 0.00 0.00 0.00 0.00 51.96 52.42 1k8d s ALA 245 Cb 0.04 -0.17 -0.04 0.00 0.00 0.00 0.00 23.12 22.95 1k8d s ALA 245 CO -0.04 -0.06 -0.10 -1.54 0.00 0.00 0.00 175.76 174.03 1k8d s SER 246 N 0.26 1.83 0.01 0.00 1.04 0.97 0.55 113.70 118.36 1k8d s SER 246 Ca -0.02 -1.02 0.00 0.00 0.48 0.00 0.00 55.95 55.39 1k8d s SER 246 Cb -0.03 -0.01 -0.01 0.00 0.10 0.00 0.00 66.02 66.07 1k8d s SER 246 CO -0.01 -0.33 -0.02 0.54 0.98 0.00 0.00 173.24 174.40 1k8d s VAL 247 N -3.32 0.07 -0.18 5.02 0.11 -0.70 0.71 120.40 122.10 1k8d s VAL 247 Ca 0.18 -0.45 -0.24 0.00 -2.93 0.00 0.00 61.98 58.53 1k8d s VAL 247 Cb 0.03 -0.14 -0.02 0.00 -1.53 0.00 0.00 36.38 34.72 1k8d s VAL 247 CO 0.01 -0.24 0.78 -0.69 -3.33 0.00 0.00 175.10 171.63 1k8d s VAL 248 N -0.72 4.91 0.00 2.04 1.01 -1.26 -1.92 120.40 124.47 1k8d s VAL 248 Ca -0.08 1.52 0.01 0.00 0.00 0.00 0.00 61.98 63.44 1k8d s VAL 248 Cb -0.05 -4.09 -0.01 0.00 0.00 0.00 0.00 36.38 32.24 1k8d s VAL 248 CO -0.00 0.04 -0.05 -0.69 0.00 0.00 0.00 175.10 174.39 1k8d s VAL 249 N 2.16 0.37 0.22 2.92 1.01 0.12 -4.96 120.40 122.25 1k8d s VAL 249 Ca 0.36 -0.33 -0.31 0.00 0.00 0.00 0.00 61.98 61.70 1k8d s VAL 249 Cb -0.16 -0.34 -0.10 0.00 0.00 0.00 0.00 36.38 35.77 1k8d s VAL 249 CO 0.11 0.02 1.51 -2.16 0.00 0.00 0.00 175.10 174.59 1k8d s PRO 250 N -0.34 4.23 0.35 2.72 0.04 -1.26 0.22 135.00 140.96 1k8d s PRO 250 Ca -0.00 2.36 -0.27 0.00 0.04 0.00 0.00 61.00 63.13 1k8d s PRO 250 Cb -0.03 -3.12 -0.12 0.00 0.04 0.00 0.00 34.50 31.27 1k8d s PRO 250 CO -0.00 -0.52 1.21 -0.11 0.04 0.00 0.00 177.00 177.61 1k8d n LEU 251 N 2.99 3.23 0.00 -3.56 7.94 0.35 -1.51 117.00 126.44 1k8d n LEU 251 Ca 0.10 1.17 0.00 0.00 -1.11 0.00 0.00 56.01 56.17 1k8d n LEU 251 Cb 0.39 -1.44 0.00 0.00 0.53 0.00 0.00 43.42 42.90 1k8d n LEU 251 CO 0.61 -0.77 0.00 0.61 -1.11 0.00 0.00 177.39 176.74 1k8d n GLY 252 N 0.89 3.28 0.86 -3.96 0.00 -1.26 -4.83 105.19 100.17 1k8d n GLY 252 Ca 0.06 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.16 1k8d n GLY 252 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1k8d n LYS 253 N -1.97 2.93 0.13 1.61 5.02 -0.57 -4.70 118.16 120.61 1k8d n LYS 253 Ca 0.00 -2.72 -0.14 0.00 -2.02 0.00 0.00 58.31 53.43 1k8d n LYS 253 Cb 0.00 -1.76 -0.08 0.00 -0.02 0.00 0.00 35.03 33.17 1k8d n LYS 253 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1k8d h GLU 254 N 1.85 -0.31 -1.29 1.97 3.07 -1.88 -3.08 114.58 114.92 1k8d h GLU 254 Ca 0.00 0.02 0.37 0.00 -0.50 0.00 0.00 59.36 59.25 1k8d h GLU 254 Cb 1.34 0.07 -0.05 0.00 -0.84 0.00 0.00 28.75 29.26 1k8d h GLU 254 CO 0.19 -0.06 0.93 0.37 -1.40 0.00 0.00 179.01 179.04 1k8d h GLN 255 N -0.53 0.01 0.00 2.33 -0.00 -1.80 0.28 115.11 115.40 1k8d h GLN 255 Ca -0.03 -0.00 -0.05 0.00 -0.00 0.00 0.00 58.65 58.57 1k8d h GLN 255 Cb 0.39 -0.00 -0.01 0.00 0.00 0.00 0.00 27.48 27.87 1k8d h GLN 255 CO 0.05 0.00 -0.22 -0.91 0.00 0.00 0.00 178.83 177.76 1k8d h ASN 256 N 0.01 0.00 -4.00 -0.69 2.35 -1.86 -3.45 115.58 107.94 1k8d h ASN 256 Ca 0.61 0.00 -0.50 0.00 -0.55 0.00 0.00 56.30 55.86 1k8d h ASN 256 Cb 2.45 0.00 0.04 0.00 0.05 0.00 0.00 38.32 40.87 1k8d h ASN 256 CO -0.01 0.22 0.28 -0.31 -1.65 0.00 0.00 177.43 175.95 1k8d s TYR 257 N -4.36 3.58 -0.08 1.19 1.51 0.08 -4.39 117.35 114.87 1k8d s TYR 257 Ca -0.03 1.11 -0.10 0.00 -1.01 0.00 0.00 57.07 57.04 1k8d s TYR 257 Cb 0.14 -2.55 0.02 0.00 -0.11 0.00 0.00 41.96 39.47 1k8d s TYR 257 CO 0.67 -0.47 0.26 -0.08 -1.11 0.00 0.00 175.55 174.82 1k8d s THR 258 N -2.91 0.01 0.02 -0.71 -1.32 0.08 -4.33 115.64 106.48 1k8d s THR 258 Ca 0.52 -0.10 0.06 0.00 -1.21 0.00 0.00 61.69 60.96 1k8d s THR 258 Cb -0.11 -0.41 -0.03 0.00 -1.51 0.00 0.00 72.50 70.45 1k8d s THR 258 CO 0.47 -0.06 -0.15 0.00 -2.21 0.00 0.00 174.62 172.67 1k8d s HIS 260 N -0.91 3.09 -0.21 0.00 3.76 0.27 -1.41 115.29 119.87 1k8d s HIS 260 Ca 0.15 -1.53 -0.13 0.00 -0.15 0.00 0.00 55.06 53.40 1k8d s HIS 260 Cb -0.11 -2.08 -0.04 0.00 1.11 0.00 0.00 32.58 31.46 1k8d s HIS 260 CO 0.05 -0.72 0.27 0.08 -0.85 0.00 0.00 174.74 173.57 1k8d s VAL 261 N 1.33 5.29 -0.09 -0.90 1.01 -0.98 -2.09 120.40 123.98 1k8d s VAL 261 Ca -0.00 0.45 0.03 0.00 0.00 0.00 0.00 61.98 62.46 1k8d s VAL 261 Cb -0.17 -3.61 0.01 0.00 0.00 0.00 0.00 36.38 32.61 1k8d s VAL 261 CO -0.04 0.32 -0.17 0.20 0.00 0.00 0.00 175.10 175.41 1k8d s ASN 262 N 0.92 2.40 -0.19 3.32 0.01 0.69 -1.51 114.94 120.59 1k8d s ASN 262 Ca 0.14 -0.42 -0.28 0.00 -0.71 0.00 0.00 52.86 51.58 1k8d s ASN 262 Cb -0.14 -1.10 0.09 0.00 0.41 0.00 0.00 41.25 40.51 1k8d s ASN 262 CO 0.05 0.08 0.82 -2.28 -1.51 0.00 0.00 177.10 174.26 1k8d s HIS 263 N 0.60 -0.61 0.35 2.20 2.46 -1.26 -0.71 115.29 118.31 1k8d s HIS 263 Ca -0.15 1.31 0.12 0.00 0.47 0.00 0.00 55.06 56.81 1k8d s HIS 263 Cb -0.16 0.36 0.94 0.00 -0.13 0.00 0.00 32.58 33.59 1k8d s HIS 263 CO 0.05 -0.41 1.75 1.49 -2.47 0.00 0.00 174.74 175.15 1k8d h GLU 264 N 3.81 0.53 0.00 2.88 4.81 -1.94 -1.27 114.58 123.41 1k8d h GLU 264 Ca -0.26 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.93 1k8d h GLU 264 Cb 1.16 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.42 1k8d h GLU 264 CO 0.21 0.35 0.00 0.41 -0.73 0.00 0.00 179.01 179.25 1k8d n GLY 265 N -1.37 -0.73 3.58 1.92 0.00 -1.25 -4.78 105.19 102.56 1k8d n GLY 265 Ca 0.26 -0.01 -0.34 0.00 0.00 0.00 0.00 46.02 45.93 1k8d n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1k8d s LEU 266 N -1.06 3.30 0.35 0.99 1.43 -0.48 -4.18 118.68 119.03 1k8d s LEU 266 Ca 0.02 -0.01 0.06 0.00 -1.03 0.00 0.00 54.13 53.16 1k8d s LEU 266 Cb 0.01 -1.75 0.72 0.00 0.03 0.00 0.00 46.19 45.20 1k8d s LEU 266 CO 0.02 0.30 1.94 -0.65 0.23 0.00 0.00 176.35 178.19 1k8d h PRO 267 N 5.71 0.76 -2.75 1.29 0.11 -1.88 -3.44 132.00 131.80 1k8d h PRO 267 Ca -0.43 -0.05 0.05 0.00 0.11 0.00 0.00 66.00 65.68 1k8d h PRO 267 Cb 1.18 -0.17 -0.11 0.00 0.11 0.00 0.00 31.00 32.01 1k8d h PRO 267 CO 0.56 0.50 0.31 -1.83 -0.21 0.00 0.00 178.00 177.34 1k8d s GLU 268 N -5.71 1.24 0.35 1.05 -1.05 -1.26 -5.15 118.70 108.17 1k8d s GLU 268 Ca -0.10 -0.53 -0.26 0.00 -0.15 0.00 0.00 54.97 53.93 1k8d s GLU 268 Cb 0.20 0.52 -0.12 0.00 -0.44 0.00 0.00 34.13 34.29 1k8d s GLU 268 CO 0.78 -0.55 1.03 -2.30 0.95 0.00 0.00 175.26 175.17 1k8d n PRO 269 N -0.37 1.44 -3.59 -4.83 -0.02 -1.26 -4.98 135.00 121.39 1k8d n PRO 269 Ca -0.12 0.51 -0.31 0.00 -2.02 0.00 0.00 63.50 61.56 1k8d n PRO 269 Cb 0.63 -1.98 -0.05 0.00 -0.02 0.00 0.00 33.50 32.08 1k8d n PRO 269 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1k8d s LEU 270 N -0.11 4.23 -0.14 2.45 1.43 -0.57 -4.95 118.68 121.02 1k8d s LEU 270 Ca 0.60 0.66 -0.02 0.00 -1.03 0.00 0.00 54.13 54.33 1k8d s LEU 270 Cb -0.62 -3.40 0.05 0.00 0.03 0.00 0.00 46.19 42.25 1k8d s LEU 270 CO 0.59 -0.00 0.03 -0.89 0.23 0.00 0.00 176.35 176.30 1k8d s THR 271 N -1.74 0.41 0.06 5.49 2.01 -1.26 -2.32 115.64 118.30 1k8d s THR 271 Ca 0.42 -0.24 0.08 0.00 0.31 0.00 0.00 61.69 62.26 1k8d s THR 271 Cb -0.12 -0.78 -0.03 0.00 0.01 0.00 0.00 72.50 71.58 1k8d s THR 271 CO 0.25 -0.01 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.22 1k8d s LEU 272 N 1.93 2.65 0.03 4.42 1.43 -0.50 -4.93 118.68 123.71 1k8d s LEU 272 Ca 0.02 -0.46 0.00 0.00 -1.03 0.00 0.00 54.13 52.66 1k8d s LEU 272 Cb -0.15 -1.54 0.00 0.00 0.03 0.00 0.00 46.19 44.53 1k8d s LEU 272 CO -0.07 0.23 0.00 0.54 0.23 0.00 0.00 176.35 177.28 1k8d n ARG 273 N 1.31 0.00 -0.02 1.70 1.74 -1.26 -0.39 116.66 119.74 1k8d n ARG 273 Ca -0.16 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.92 1k8d n ARG 273 Cb 0.52 -0.46 0.00 0.00 -1.02 0.00 0.00 32.46 31.50 1k8d n ARG 273 CO 0.00 0.00 0.00 1.87 -1.52 0.00 0.00 177.63 177.98