#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gke s THR 3 N 0.00 3.45 0.31 0.00 -4.23 -1.26 -5.09 115.64 108.82 3gke s THR 3 Ca 0.00 -0.79 0.08 0.00 -1.18 0.00 0.00 61.69 59.80 3gke s THR 3 Cb 0.00 -2.74 -0.06 0.00 1.34 0.00 0.00 72.50 71.04 3gke s THR 3 CO 0.00 0.18 -0.07 -0.36 -0.54 0.00 0.00 174.62 173.83 3gke s PHE 4 N 1.43 2.17 -0.70 3.99 0.08 -1.26 -5.06 117.98 118.63 3gke s PHE 4 Ca 0.02 -0.62 -0.18 0.00 0.12 0.00 0.00 56.93 56.28 3gke s PHE 4 Cb -0.17 -1.26 0.14 0.00 -0.57 0.00 0.00 43.02 41.17 3gke s PHE 4 CO -0.01 0.41 0.78 0.08 -0.10 0.00 0.00 175.22 176.37 3gke s VAL 5 N -2.84 5.01 -0.00 -0.44 1.01 -1.26 -4.87 120.40 117.01 3gke s VAL 5 Ca 0.31 -1.47 0.11 0.00 0.00 0.00 0.00 61.98 60.94 3gke s VAL 5 Cb 0.03 -4.52 -0.06 0.00 0.00 0.00 0.00 36.38 31.83 3gke s VAL 5 CO 0.14 -1.15 1.39 0.03 0.00 0.00 0.00 175.10 175.51 3gke h ARG 6 N 8.79 0.00 -3.98 2.72 3.08 -1.95 -3.37 114.38 119.66 3gke h ARG 6 Ca -0.13 0.00 -0.74 0.00 0.07 0.00 0.00 59.98 59.18 3gke h ARG 6 Cb 1.07 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 30.98 3gke h ARG 6 CO 1.02 0.72 2.04 0.09 -1.07 0.00 0.00 179.97 182.78 3gke n ASN 7 N -3.32 4.94 -3.48 7.04 3.02 -1.26 -1.63 115.26 120.58 3gke n ASN 7 Ca 0.01 -3.03 -0.10 0.00 -0.03 0.00 0.00 54.58 51.42 3gke n ASN 7 Cb 0.81 -1.54 -0.02 0.00 -0.61 0.00 0.00 39.78 38.42 3gke n ASN 7 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gke s ALA 8 N 1.25 -1.75 0.09 5.41 0.00 -1.26 -5.04 121.76 120.46 3gke s ALA 8 Ca 0.42 0.88 -0.22 0.00 0.00 0.00 0.00 51.96 53.04 3gke s ALA 8 Cb 0.07 0.51 -0.07 0.00 0.00 0.00 0.00 23.12 23.64 3gke s ALA 8 CO -0.00 -0.69 0.66 -1.58 0.00 0.00 0.00 175.76 174.15 3gke s TRP 9 N -3.18 3.82 0.06 0.00 0.52 -1.26 -4.02 118.94 114.88 3gke s TRP 9 Ca 0.03 1.40 0.06 0.00 0.02 0.00 0.00 56.10 57.62 3gke s TRP 9 Cb -0.01 -2.64 -0.03 0.00 -1.15 0.00 0.00 33.47 29.64 3gke s TRP 9 CO -0.09 0.49 -0.17 0.71 0.02 0.00 0.00 176.95 177.91 3gke s TYR 10 N -0.87 1.50 -0.06 -1.98 2.02 -0.14 -4.75 117.35 113.07 3gke s TYR 10 Ca 0.33 -0.39 -0.30 0.00 -0.37 0.00 0.00 57.07 56.34 3gke s TYR 10 Cb -0.21 -0.87 -0.03 0.00 -0.40 0.00 0.00 41.96 40.46 3gke s TYR 10 CO 0.22 0.09 1.18 0.08 -1.57 0.00 0.00 175.55 175.54 3gke s VAL 11 N -0.98 4.32 -0.03 0.71 1.01 -1.26 -0.05 120.40 124.12 3gke s VAL 11 Ca 0.04 1.64 0.17 0.00 0.00 0.00 0.00 61.98 63.82 3gke s VAL 11 Cb -0.09 -4.05 -0.26 0.00 0.00 0.00 0.00 36.38 31.98 3gke s VAL 11 CO 0.02 -0.00 0.35 0.00 0.00 0.00 0.00 175.10 175.47 3gke n ALA 12 N 5.18 2.57 -3.51 5.51 0.00 0.05 -4.69 120.51 125.62 3gke n ALA 12 Ca 0.11 -0.43 -0.10 0.00 0.00 0.00 0.00 53.44 53.01 3gke n ALA 12 Cb 0.46 -0.55 -0.03 0.00 0.00 0.00 0.00 19.45 19.33 3gke n ALA 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gke s ALA 13 N -3.13 -1.82 0.25 0.00 0.00 -1.23 -5.01 121.76 110.82 3gke s ALA 13 Ca -0.06 1.11 -0.18 0.00 0.00 0.00 0.00 51.96 52.82 3gke s ALA 13 Cb 0.10 0.20 -0.08 0.00 0.00 0.00 0.00 23.12 23.35 3gke s ALA 13 CO 0.70 -0.60 0.72 -0.51 0.00 0.00 0.00 175.76 176.07 3gke s LEU 14 N -2.15 4.27 0.35 0.00 1.43 -1.26 -1.58 118.68 119.74 3gke s LEU 14 Ca 0.02 1.37 0.07 0.00 -1.03 0.00 0.00 54.13 54.56 3gke s LEU 14 Cb -0.01 -3.71 0.74 0.00 0.03 0.00 0.00 46.19 43.24 3gke s LEU 14 CO -0.06 -0.03 1.90 -0.65 0.23 0.00 0.00 176.35 177.74 3gke h PRO 15 N 3.10 0.75 0.00 1.29 0.11 -1.89 -0.27 132.00 135.09 3gke h PRO 15 Ca -0.48 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3gke h PRO 15 Cb 1.19 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.13 3gke h PRO 15 CO 0.65 0.50 0.00 1.05 -0.21 0.00 0.00 178.00 179.99 3gke h GLU 16 N 0.77 0.00 0.00 1.05 9.09 -1.94 -1.07 114.58 122.48 3gke h GLU 16 Ca 0.41 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.82 3gke h GLU 16 Cb 0.51 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.61 3gke h GLU 16 CO -0.17 0.00 0.00 0.93 0.05 0.00 0.00 179.01 179.82 3gke h GLU 17 N 0.00 0.00 -6.06 1.06 5.08 -1.43 -3.46 114.58 109.77 3gke h GLU 17 Ca 0.00 0.00 -0.63 0.00 -1.00 0.00 0.00 59.36 57.73 3gke h GLU 17 Cb 0.22 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.40 3gke h GLU 17 CO 0.00 0.00 -0.56 -0.51 -1.00 0.00 0.00 179.01 176.94 3gke s LEU 18 N -5.11 4.04 0.00 1.33 1.43 -0.41 -4.86 118.68 115.10 3gke s LEU 18 Ca 0.08 0.12 0.00 0.00 -1.03 0.00 0.00 54.13 53.30 3gke s LEU 18 Cb 0.10 -2.66 0.00 0.00 0.03 0.00 0.00 46.19 43.66 3gke s LEU 18 CO 0.59 0.18 0.00 -1.54 0.23 0.00 0.00 176.35 175.81 3gke n SER 19 N 0.44 0.00 0.06 2.29 3.41 -1.26 -4.88 113.62 113.69 3gke n SER 19 Ca -0.07 -0.55 0.11 0.00 -0.26 0.00 0.00 58.87 58.10 3gke n SER 19 Cb 0.51 0.00 0.45 0.00 -0.26 0.00 0.00 64.21 64.92 3gke n SER 19 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3gke n GLU 20 N 0.00 0.11 -3.08 4.33 1.02 -1.26 -0.85 120.64 120.92 3gke n GLU 20 Ca 0.00 0.23 -0.42 0.00 -0.02 0.00 0.00 57.16 56.95 3gke n GLU 20 Cb 0.00 -1.67 -0.06 0.00 -0.02 0.00 0.00 31.44 29.69 3gke n GLU 20 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 3gke s LYS 21 N -3.11 3.61 0.67 3.49 2.20 -1.26 -4.16 119.74 121.18 3gke s LYS 21 Ca 0.09 0.01 -0.17 0.00 -0.36 0.00 0.00 55.97 55.54 3gke s LYS 21 Cb 0.12 -3.84 -0.01 0.00 -1.51 0.00 0.00 37.83 32.60 3gke s LYS 21 CO 0.43 -0.82 1.10 -2.30 -0.36 0.00 0.00 175.35 173.41 3gke n PRO 22 N 6.17 0.79 -4.39 4.03 -0.02 -1.26 -4.90 135.00 135.42 3gke n PRO 22 Ca -0.00 0.32 -0.34 0.00 -2.02 0.00 0.00 63.50 61.46 3gke n PRO 22 Cb 0.48 -2.34 -0.13 0.00 -0.02 0.00 0.00 33.50 31.49 3gke n PRO 22 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3gke s LEU 23 N -3.49 2.99 -0.22 2.45 2.96 0.01 -4.91 118.68 118.46 3gke s LEU 23 Ca 0.78 -0.26 -0.17 0.00 -0.22 0.00 0.00 54.13 54.26 3gke s LEU 23 Cb -0.37 -1.72 -0.03 0.00 0.50 0.00 0.00 46.19 44.57 3gke s LEU 23 CO 0.46 0.12 0.45 -0.83 -1.32 0.00 0.00 176.35 175.23 3gke s GLY 24 N 0.66 2.02 -0.10 7.98 0.00 -1.26 -0.68 107.32 115.94 3gke s GLY 24 Ca -0.04 -0.53 -0.08 0.00 0.00 0.00 0.00 44.72 44.07 3gke s GLY 24 CO 0.02 0.99 0.25 -1.60 0.00 0.00 0.00 173.10 172.76 3gke s ARG 25 N 1.65 0.29 -0.19 2.90 3.52 -0.57 -4.99 118.95 121.56 3gke s ARG 25 Ca 0.21 0.38 -0.13 0.00 -0.13 0.00 0.00 55.73 56.05 3gke s ARG 25 Cb -0.15 0.11 -0.05 0.00 -1.56 0.00 0.00 34.95 33.30 3gke s ARG 25 CO 0.09 -0.05 0.25 0.99 -0.81 0.00 0.00 175.30 175.77 3gke s THR 26 N 0.27 5.32 -0.06 4.11 2.01 -1.26 -0.42 115.64 125.62 3gke s THR 26 Ca -0.01 0.44 0.03 0.00 0.31 0.00 0.00 61.69 62.46 3gke s THR 26 Cb -0.03 -3.59 0.01 0.00 0.01 0.00 0.00 72.50 68.90 3gke s THR 26 CO -0.01 0.37 -0.15 0.27 -0.69 0.00 0.00 174.62 174.41 3gke s ILE 27 N 0.67 1.32 -1.46 1.82 -4.36 -0.24 -4.48 121.20 114.46 3gke s ILE 27 Ca 0.14 -0.61 -0.04 0.00 -0.26 0.00 0.00 60.65 59.87 3gke s ILE 27 Cb -0.13 -1.16 0.03 0.00 1.25 0.00 0.00 42.46 42.45 3gke s ILE 27 CO 0.03 0.39 0.52 0.18 0.24 0.00 0.00 174.94 176.30 3gke n LEU 28 N 3.51 -2.18 -0.97 0.37 4.32 0.13 -0.75 117.00 121.42 3gke n LEU 28 Ca -0.20 -0.99 -0.13 0.00 -0.02 0.00 0.00 56.01 54.67 3gke n LEU 28 Cb 0.52 -2.23 -0.05 0.00 -1.62 0.00 0.00 43.42 40.04 3gke n LEU 28 CO 0.25 0.41 -0.12 0.47 -1.22 0.00 0.00 177.39 177.18 3gke n ASP 29 N -2.92 -5.17 -4.16 -1.43 8.00 0.09 -4.96 116.55 106.00 3gke n ASP 29 Ca -0.23 0.31 -0.34 0.00 0.71 0.00 0.00 54.79 55.25 3gke n ASP 29 Cb 0.64 -3.79 -0.14 0.00 -0.02 0.00 0.00 41.12 37.81 3gke n ASP 29 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3gke s THR 30 N -2.26 2.83 -0.03 -3.53 2.01 0.07 -5.09 115.64 109.64 3gke s THR 30 Ca 0.00 -1.34 -0.30 0.00 0.31 0.00 0.00 61.69 60.36 3gke s THR 30 Cb 0.00 -2.59 -0.03 0.00 0.01 0.00 0.00 72.50 69.89 3gke s THR 30 CO 0.00 -0.02 1.13 -2.16 -0.69 0.00 0.00 174.62 172.88 3gke s PRO 31 N 1.24 4.42 0.09 4.92 0.04 -1.26 -1.08 135.00 143.36 3gke s PRO 31 Ca -0.05 1.61 0.08 0.00 0.04 0.00 0.00 61.00 62.68 3gke s PRO 31 Cb -0.19 -3.49 -0.04 0.00 0.04 0.00 0.00 34.50 30.82 3gke s PRO 31 CO -0.02 -0.31 -0.16 -0.51 0.04 0.00 0.00 177.00 176.03 3gke s LEU 32 N 1.71 2.76 -0.30 -3.56 1.43 0.44 -0.44 118.68 120.71 3gke s LEU 32 Ca 0.55 -0.47 -0.05 0.00 -1.03 0.00 0.00 54.13 53.13 3gke s LEU 32 Cb -0.24 -1.60 0.03 0.00 0.03 0.00 0.00 46.19 44.40 3gke s LEU 32 CO 0.24 0.21 0.06 0.00 0.23 0.00 0.00 176.35 177.08 3gke s ALA 33 N -1.08 2.97 -0.17 4.21 0.00 0.12 -1.51 121.76 126.29 3gke s ALA 33 Ca 0.17 -1.60 -0.05 0.00 0.00 0.00 0.00 51.96 50.48 3gke s ALA 33 Cb -0.11 -2.10 -0.03 0.00 0.00 0.00 0.00 23.12 20.89 3gke s ALA 33 CO 0.09 -1.11 -0.00 -0.51 0.00 0.00 0.00 175.76 174.23 3gke s LEU 34 N 1.40 3.41 0.16 0.00 1.43 0.14 -1.12 118.68 124.11 3gke s LEU 34 Ca -0.00 -0.08 -0.17 0.00 -1.03 0.00 0.00 54.13 52.84 3gke s LEU 34 Cb -0.18 -1.84 0.03 0.00 0.03 0.00 0.00 46.19 44.23 3gke s LEU 34 CO 0.01 0.15 0.48 -0.72 0.23 0.00 0.00 176.35 176.50 3gke s TYR 35 N 0.48 -0.18 -0.20 0.29 -0.85 -0.62 -0.81 117.35 115.46 3gke s TYR 35 Ca -0.01 -0.14 -0.07 0.00 -0.52 0.00 0.00 57.07 56.33 3gke s TYR 35 Cb -0.14 0.34 -0.04 0.00 0.38 0.00 0.00 41.96 42.51 3gke s TYR 35 CO 0.02 -0.82 0.05 0.50 -1.52 0.00 0.00 175.55 173.78 3gke s ARG 36 N -3.84 3.84 0.77 -3.49 3.52 -0.03 -0.52 118.95 119.22 3gke s ARG 36 Ca 0.06 -0.41 -0.11 0.00 -0.13 0.00 0.00 55.73 55.14 3gke s ARG 36 Cb 0.00 -3.22 0.06 0.00 -1.56 0.00 0.00 34.95 30.23 3gke s ARG 36 CO -0.07 0.13 1.10 -0.65 -0.81 0.00 0.00 175.30 174.99 3gke s GLN 37 N 0.76 2.28 0.52 5.12 -0.21 -0.15 -4.00 119.66 123.96 3gke s GLN 37 Ca 0.03 0.61 0.19 0.00 0.02 0.00 0.00 55.36 56.21 3gke s GLN 37 Cb -0.14 -1.94 1.30 0.00 1.00 0.00 0.00 33.01 33.23 3gke s GLN 37 CO 0.02 -1.48 2.08 -1.35 -2.12 0.00 0.00 175.29 172.44 3gke h PRO 38 N -0.98 0.03 0.00 2.91 0.11 -1.88 0.13 132.00 132.31 3gke h PRO 38 Ca -0.46 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3gke h PRO 38 Cb 1.26 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3gke h PRO 38 CO 0.60 0.02 0.00 -0.40 -0.21 0.00 0.00 178.00 178.01 3gke n ASP 39 N -4.47 0.00 0.00 -2.05 5.75 -1.26 -4.88 116.55 109.63 3gke n ASP 39 Ca 0.02 -1.33 0.00 0.00 -0.01 0.00 0.00 54.79 53.48 3gke n ASP 39 Cb 0.30 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.39 3gke n ASP 39 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3gke n GLY 40 N 0.73 0.88 3.71 6.12 0.00 0.44 -5.04 105.19 112.03 3gke n GLY 40 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 3gke n GLY 40 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gke s VAL 41 N -2.53 5.02 0.19 1.61 1.01 -1.25 -4.73 120.40 119.71 3gke s VAL 41 Ca 0.00 1.52 -0.30 0.00 0.00 0.00 0.00 61.98 63.21 3gke s VAL 41 Cb 0.00 -4.08 -0.08 0.00 0.00 0.00 0.00 36.38 32.23 3gke s VAL 41 CO 0.00 0.23 0.97 -0.69 0.00 0.00 0.00 175.10 175.60 3gke s VAL 42 N 0.92 4.20 0.08 2.92 1.01 -1.26 -0.98 120.40 127.28 3gke s VAL 42 Ca 0.39 2.02 0.08 0.00 0.00 0.00 0.00 61.98 64.48 3gke s VAL 42 Cb -0.18 -4.29 -0.04 0.00 0.00 0.00 0.00 36.38 31.88 3gke s VAL 42 CO 0.19 0.41 -0.20 0.00 0.00 0.00 0.00 175.10 175.49 3gke s ALA 43 N -0.65 2.56 -0.22 5.51 0.00 0.33 -4.92 121.76 124.37 3gke s ALA 43 Ca 0.44 -1.29 -0.02 0.00 0.00 0.00 0.00 51.96 51.09 3gke s ALA 43 Cb -0.25 -0.63 0.06 0.00 0.00 0.00 0.00 23.12 22.30 3gke s ALA 43 CO 0.32 0.57 0.02 0.00 0.00 0.00 0.00 175.76 176.67 3gke s ALA 44 N -1.00 1.33 0.12 0.00 0.00 -1.26 -1.59 121.76 119.36 3gke s ALA 44 Ca 0.15 -0.98 0.07 0.00 0.00 0.00 0.00 51.96 51.20 3gke s ALA 44 Cb -0.10 -1.30 -0.04 0.00 0.00 0.00 0.00 23.12 21.68 3gke s ALA 44 CO 0.07 -1.23 -0.06 -0.51 0.00 0.00 0.00 175.76 174.02 3gke s LEU 45 N 1.70 3.17 0.18 0.00 1.43 -0.27 -0.64 118.68 124.25 3gke s LEU 45 Ca -0.01 -0.36 -0.33 0.00 -1.03 0.00 0.00 54.13 52.40 3gke s LEU 45 Cb -0.18 -1.92 -0.13 0.00 0.03 0.00 0.00 46.19 43.99 3gke s LEU 45 CO -0.09 0.16 1.65 -0.11 0.23 0.00 0.00 176.35 178.19 3gke n LEU 46 N 0.50 3.51 -2.32 1.79 7.94 -0.18 0.12 117.00 128.37 3gke n LEU 46 Ca -0.12 1.07 -0.22 0.00 -1.11 0.00 0.00 56.01 55.63 3gke n LEU 46 Cb 0.53 -1.49 -0.08 0.00 0.53 0.00 0.00 43.42 42.90 3gke n LEU 46 CO 0.35 -0.07 1.57 -0.67 -1.11 0.00 0.00 177.39 177.46 3gke n ASP 47 N 3.77 6.12 -3.46 1.96 2.03 0.42 -4.62 116.55 122.76 3gke n ASP 47 Ca 0.17 -2.99 -0.20 0.00 0.52 0.00 0.00 54.79 52.28 3gke n ASP 47 Cb 0.32 -1.27 -0.12 0.00 -0.72 0.00 0.00 41.12 39.32 3gke n ASP 47 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3gke s ILE 48 N -1.34 -0.31 0.22 5.18 1.01 -1.26 -4.23 121.20 120.48 3gke s ILE 48 Ca 0.59 -0.42 -0.32 0.00 0.00 0.00 0.00 60.65 60.50 3gke s ILE 48 Cb 0.36 -0.88 -0.12 0.00 0.01 0.00 0.00 42.46 41.82 3gke s ILE 48 CO -0.15 -0.44 1.65 0.00 0.00 0.00 0.00 174.94 176.01 3gke h PRO 50 N 6.01 0.00 0.00 0.00 0.11 -1.87 -0.18 132.00 136.07 3gke h PRO 50 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3gke h PRO 50 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3gke h PRO 50 CO 0.90 0.00 0.00 1.58 -0.21 0.00 0.00 178.00 180.27 3gke n HIS 51 N -2.39 0.00 -1.28 0.65 -0.00 -1.26 -4.73 115.22 106.21 3gke n HIS 51 Ca -0.00 0.00 0.04 0.00 -0.00 0.00 0.00 57.72 57.76 3gke n HIS 51 Cb 0.12 -0.27 0.06 0.00 -0.00 0.00 0.00 29.99 29.90 3gke n HIS 51 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 3gke n ARG 52 N -1.31 0.89 -0.83 1.57 5.12 -1.24 -5.02 116.66 115.84 3gke n ARG 52 Ca 0.00 -1.72 0.00 0.00 -1.93 0.00 0.00 57.85 54.20 3gke n ARG 52 Cb 0.00 -1.00 0.00 0.00 -1.16 0.00 0.00 32.46 30.30 3gke n ARG 52 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 3gke n PHE 53 N -0.70 0.00 -1.43 -1.55 3.72 -0.08 -4.96 117.46 112.46 3gke n PHE 53 Ca 0.07 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 57.12 3gke n PHE 53 Cb 0.61 -0.25 0.09 0.00 -0.94 0.00 0.00 39.48 38.99 3gke n PHE 53 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3gke n ALA 54 N 0.48 0.49 -2.17 4.37 0.00 -1.26 -4.14 120.51 118.28 3gke n ALA 54 Ca 0.00 -0.16 -0.41 0.00 0.00 0.00 0.00 53.44 52.87 3gke n ALA 54 Cb 0.00 -2.27 -0.03 0.00 0.00 0.00 0.00 19.45 17.16 3gke n ALA 54 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3gke s PRO 55 N -3.65 3.15 0.56 0.00 0.04 -1.26 -0.86 135.00 132.98 3gke s PRO 55 Ca 0.78 0.85 0.24 0.00 0.04 0.00 0.00 61.00 62.91 3gke s PRO 55 Cb -0.34 -4.21 1.52 0.00 0.04 0.00 0.00 34.50 31.51 3gke s PRO 55 CO 0.46 -2.09 2.13 -0.07 0.04 0.00 0.00 177.00 177.47 3gke h LEU 56 N 14.10 0.00 -0.39 -3.56 3.38 -1.89 -1.80 115.31 125.15 3gke h LEU 56 Ca -0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.68 3gke h LEU 56 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 3gke h LEU 56 CO 1.13 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 178.12 3gke n SER 57 N -4.16 0.33 -0.76 -0.43 3.41 -1.26 -1.14 113.62 109.61 3gke n SER 57 Ca 0.00 0.59 0.10 0.00 -0.26 0.00 0.00 58.87 59.31 3gke n SER 57 Cb 0.24 -0.66 0.30 0.00 -0.26 0.00 0.00 64.21 63.84 3gke n SER 57 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3gke n ASP 58 N -1.87 2.27 -2.64 4.04 8.00 -0.68 -4.52 116.55 121.15 3gke n ASP 58 Ca 0.02 -1.83 -0.05 0.00 0.71 0.00 0.00 54.79 53.64 3gke n ASP 58 Cb 0.18 -0.17 0.02 0.00 -0.02 0.00 0.00 41.12 41.13 3gke n ASP 58 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gke n GLY 59 N 1.25 1.39 3.52 0.44 0.00 -0.29 -4.72 105.19 106.77 3gke n GLY 59 Ca 0.17 -2.07 -0.24 0.00 0.00 0.00 0.00 46.02 43.88 3gke n GLY 59 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3gke s ILE 60 N -0.15 1.43 0.04 -0.61 -4.36 -1.23 -4.49 121.20 111.83 3gke s ILE 60 Ca 0.15 -2.00 -0.23 0.00 -0.26 0.00 0.00 60.65 58.31 3gke s ILE 60 Cb -0.01 -2.83 -0.06 0.00 1.25 0.00 0.00 42.46 40.81 3gke s ILE 60 CO 0.10 0.00 0.68 -0.76 0.24 0.00 0.00 174.94 175.20 3gke s LEU 61 N -3.57 4.46 -0.15 0.37 1.43 -1.26 -0.70 118.68 119.25 3gke s LEU 61 Ca 0.35 1.33 0.01 0.00 -1.03 0.00 0.00 54.13 54.80 3gke s LEU 61 Cb 0.09 -3.08 0.02 0.00 0.03 0.00 0.00 46.19 43.24 3gke s LEU 61 CO 0.16 0.09 -0.18 -0.69 0.23 0.00 0.00 176.35 175.96 3gke s VAL 62 N -0.30 1.86 -1.59 -1.59 1.01 0.51 -4.70 120.40 115.60 3gke s VAL 62 Ca 0.34 -0.83 -0.09 0.00 0.00 0.00 0.00 61.98 61.40 3gke s VAL 62 Cb -0.20 -1.68 0.08 0.00 0.00 0.00 0.00 36.38 34.59 3gke s VAL 62 CO 0.21 0.51 0.50 -3.20 0.00 0.00 0.00 175.10 173.11 3gke n ASN 63 N 4.43 -1.36 0.00 3.32 5.15 -1.26 -1.06 115.26 124.49 3gke n ASN 63 Ca -0.19 -1.08 0.00 0.00 -0.60 0.00 0.00 54.58 52.71 3gke n ASN 63 Cb 0.51 -2.54 0.00 0.00 -0.53 0.00 0.00 39.78 37.21 3gke n ASN 63 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3gke n GLY 64 N -1.79 0.77 3.44 8.20 0.00 -1.26 -5.00 105.19 109.55 3gke n GLY 64 Ca -0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 3gke n GLY 64 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3gke s HIS 65 N -3.16 2.73 -0.09 1.61 3.76 -0.22 -4.76 115.29 115.16 3gke s HIS 65 Ca 0.00 -0.32 -0.30 0.00 -0.15 0.00 0.00 55.06 54.30 3gke s HIS 65 Cb 0.00 -1.69 -0.03 0.00 1.11 0.00 0.00 32.58 31.97 3gke s HIS 65 CO 0.00 0.06 1.25 -1.17 -0.85 0.00 0.00 174.74 174.02 3gke s LEU 66 N -0.39 4.25 -0.23 0.89 2.96 -0.60 -0.36 118.68 125.19 3gke s LEU 66 Ca 0.04 1.80 -0.09 0.00 -0.22 0.00 0.00 54.13 55.66 3gke s LEU 66 Cb -0.12 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 42.97 3gke s LEU 66 CO 0.02 -0.66 0.13 -1.58 -1.32 0.00 0.00 176.35 172.94 3gke s GLN 67 N 2.71 3.97 0.21 1.98 0.74 0.12 -1.09 119.66 128.30 3gke s GLN 67 Ca 0.56 -0.33 -0.32 0.00 0.05 0.00 0.00 55.36 55.33 3gke s GLN 67 Cb -0.24 -3.45 -0.13 0.00 1.10 0.00 0.00 33.01 30.30 3gke s GLN 67 CO 0.20 0.04 1.64 0.00 -0.55 0.00 0.00 175.29 176.62 3gke n PRO 69 N 3.42 0.16 -0.06 0.00 -0.04 -1.26 -2.04 135.00 135.19 3gke n PRO 69 Ca 0.15 0.35 -0.03 0.00 -0.04 0.00 0.00 63.50 63.93 3gke n PRO 69 Cb 0.33 -1.79 -0.01 0.00 -0.04 0.00 0.00 33.50 32.00 3gke n PRO 69 CO 0.00 0.00 0.00 -0.92 -0.04 0.00 0.00 175.50 174.54 3gke h TYR 70 N 0.00 0.00 0.00 0.54 -0.00 -1.93 -3.43 116.97 112.15 3gke h TYR 70 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 3gke h TYR 70 Cb 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.13 3gke h TYR 70 CO 0.00 0.00 -0.10 0.72 -0.00 0.00 0.00 178.16 178.78 3gke n HIS 71 N -4.43 0.00 -1.07 -3.82 8.25 -1.26 -5.05 115.22 107.84 3gke n HIS 71 Ca -0.04 -0.39 -0.02 0.00 -0.26 0.00 0.00 57.72 57.00 3gke n HIS 71 Cb 0.15 -0.06 -0.01 0.00 1.12 0.00 0.00 29.99 31.19 3gke n HIS 71 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3gke n GLY 72 N -0.50 0.56 3.67 -1.41 0.00 -0.86 -4.74 105.19 101.91 3gke n GLY 72 Ca 0.04 -0.80 -0.40 0.00 0.00 0.00 0.00 46.02 44.85 3gke n GLY 72 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gke n LEU 73 N -0.26 3.77 -4.31 0.99 4.77 -1.26 -4.60 117.00 116.10 3gke n LEU 73 Ca -0.02 1.02 -0.28 0.00 -0.03 0.00 0.00 56.01 56.70 3gke n LEU 73 Cb 0.09 -1.45 -0.14 0.00 -2.33 0.00 0.00 43.42 39.58 3gke n LEU 73 CO 0.03 -1.07 -0.55 -1.61 -1.33 0.00 0.00 177.39 172.87 3gke s GLU 74 N -2.33 1.59 0.02 3.23 2.02 -0.71 -0.27 118.70 122.27 3gke s GLU 74 Ca 0.65 -1.07 0.05 0.00 0.02 0.00 0.00 54.97 54.62 3gke s GLU 74 Cb -0.49 -1.78 -0.02 0.00 0.10 0.00 0.00 34.13 31.94 3gke s GLU 74 CO 0.55 0.45 -0.14 -0.06 0.02 0.00 0.00 175.26 176.08 3gke s PHE 75 N -0.83 1.22 0.77 1.61 0.08 -0.25 0.11 117.98 120.69 3gke s PHE 75 Ca 0.10 -0.31 -0.02 0.00 0.12 0.00 0.00 56.93 56.82 3gke s PHE 75 Cb -0.10 -0.74 0.16 0.00 -0.57 0.00 0.00 43.02 41.77 3gke s PHE 75 CO 0.02 0.02 1.06 0.16 -0.10 0.00 0.00 175.22 176.38 3gke s ASP 76 N -0.86 4.04 0.37 1.36 1.47 -0.09 -1.56 116.67 121.41 3gke s ASP 76 Ca 0.03 -0.45 0.28 0.00 1.18 0.00 0.00 52.55 53.58 3gke s ASP 76 Cb -0.07 0.22 1.12 0.00 -0.34 0.00 0.00 42.92 43.86 3gke s ASP 76 CO 0.01 -2.09 1.82 1.23 0.68 0.00 0.00 175.17 176.82 3gke h GLY 77 N -0.72 0.00 -0.84 2.12 0.00 -1.89 -1.03 103.07 100.71 3gke h GLY 77 Ca -0.35 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.98 3gke h GLY 77 CO 0.36 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.51 3gke n GLY 78 N 0.06 0.30 1.87 4.60 0.00 -1.26 -4.62 105.19 106.14 3gke n GLY 78 Ca 0.02 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.56 3gke n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gke n GLY 79 N 1.19 0.81 3.73 -0.02 0.00 -0.39 -4.42 105.19 106.09 3gke n GLY 79 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3gke n GLY 79 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3gke s GLN 80 N -0.38 4.29 -0.07 1.61 0.74 -1.26 -0.60 119.66 124.00 3gke s GLN 80 Ca 0.00 2.20 -0.30 0.00 0.05 0.00 0.00 55.36 57.31 3gke s GLN 80 Cb 0.00 -3.18 -0.05 0.00 1.10 0.00 0.00 33.01 30.88 3gke s GLN 80 CO 0.00 -0.45 1.60 0.00 -0.55 0.00 0.00 175.29 175.89 3gke n VAL 82 N 5.44 0.00 -3.66 0.00 0.24 0.12 -4.95 118.33 115.51 3gke n VAL 82 Ca 0.17 -0.41 -0.10 0.00 -2.04 0.00 0.00 64.34 61.96 3gke n VAL 82 Cb 0.43 1.12 -0.08 0.00 -1.47 0.00 0.00 33.84 33.84 3gke n VAL 82 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 3gke s HIS 83 N -1.29 -0.83 -0.25 6.34 2.46 -1.17 -4.95 115.29 115.60 3gke s HIS 83 Ca 0.08 1.80 0.01 0.00 0.47 0.00 0.00 55.06 57.41 3gke s HIS 83 Cb 0.08 0.41 0.07 0.00 -0.13 0.00 0.00 32.58 33.01 3gke s HIS 83 CO 0.23 -0.42 -0.01 1.21 -2.47 0.00 0.00 174.74 173.29 3gke s ASN 84 N 1.07 3.89 0.00 9.88 2.47 -1.26 -1.73 114.94 129.26 3gke s ASN 84 Ca -0.06 -1.32 0.10 0.00 0.42 0.00 0.00 52.86 52.01 3gke s ASN 84 Cb -0.05 -1.13 0.61 0.00 -1.45 0.00 0.00 41.25 39.23 3gke s ASN 84 CO -0.10 -0.28 1.12 -0.81 -3.72 0.00 0.00 177.10 173.30 3gke n PRO 85 N 4.69 0.63 -4.79 0.43 -0.04 -1.26 -4.23 135.00 130.43 3gke n PRO 85 Ca -0.08 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.04 3gke n PRO 85 Cb 0.44 -1.25 -0.13 0.00 -0.04 0.00 0.00 33.50 32.52 3gke n PRO 85 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 3gke s HIS 86 N -2.00 2.79 0.00 0.54 3.76 -1.26 -4.90 115.29 114.22 3gke s HIS 86 Ca 0.15 -0.15 0.00 0.00 -0.15 0.00 0.00 55.06 54.92 3gke s HIS 86 Cb 0.07 -1.68 0.00 0.00 1.11 0.00 0.00 32.58 32.08 3gke s HIS 86 CO 0.12 0.19 0.00 0.41 -0.85 0.00 0.00 174.74 174.61 3gke n GLY 87 N 2.41 2.85 0.00 -2.22 0.00 -1.26 -0.63 105.19 106.34 3gke n GLY 87 Ca -0.17 -0.31 0.13 0.00 0.00 0.00 0.00 46.02 45.66 3gke n GLY 87 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3gke n ASN 88 N 3.75 0.00 -0.59 1.61 6.94 -1.26 -4.87 115.26 120.83 3gke n ASN 88 Ca 0.00 -0.55 -0.08 0.00 -0.02 0.00 0.00 54.58 53.94 3gke n ASN 88 Cb 0.00 -0.10 -0.03 0.00 -2.36 0.00 0.00 39.78 37.29 3gke n ASN 88 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3gke n GLY 89 N 0.66 0.97 3.76 4.83 0.00 0.20 -4.99 105.19 110.62 3gke n GLY 89 Ca 0.17 -0.60 -0.38 0.00 0.00 0.00 0.00 46.02 45.21 3gke n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gke s ALA 90 N -2.25 2.87 -0.59 4.61 0.00 -1.26 -4.40 121.76 120.73 3gke s ALA 90 Ca 0.00 1.21 0.06 0.00 0.00 0.00 0.00 51.96 53.23 3gke s ALA 90 Cb 0.00 -3.51 0.22 0.00 0.00 0.00 0.00 23.12 19.83 3gke s ALA 90 CO 0.00 -1.15 0.61 0.54 0.00 0.00 0.00 175.76 175.76 3gke n ARG 91 N -0.86 1.83 -0.88 0.00 1.74 -1.26 -4.79 116.66 112.45 3gke n ARG 91 Ca 0.09 -4.24 -0.32 0.00 -0.77 0.00 0.00 57.85 52.62 3gke n ARG 91 Cb 0.46 -2.02 0.15 0.00 -1.02 0.00 0.00 32.46 30.03 3gke n ARG 91 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3gke s PRO 92 N -1.79 1.30 0.55 5.56 0.04 -1.26 -4.87 135.00 134.53 3gke s PRO 92 Ca 0.35 1.60 0.35 0.00 0.04 0.00 0.00 61.00 63.34 3gke s PRO 92 Cb 0.10 -1.75 1.49 0.00 0.04 0.00 0.00 34.50 34.38 3gke s PRO 92 CO -0.08 -2.43 2.02 0.00 0.04 0.00 0.00 177.00 176.55 3gke h ALA 93 N -1.49 1.00 0.00 8.56 0.00 -2.00 -1.00 119.26 124.34 3gke h ALA 93 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3gke h ALA 93 Cb 1.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3gke h ALA 93 CO 0.44 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.56 3gke n SER 94 N -3.03 0.65 -0.09 0.00 3.41 -1.26 -1.88 113.62 111.41 3gke n SER 94 Ca 0.00 0.70 0.14 0.00 -0.26 0.00 0.00 58.87 59.44 3gke n SER 94 Cb 0.27 -0.82 0.54 0.00 -0.26 0.00 0.00 64.21 63.94 3gke n SER 94 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3gke n LEU 95 N -2.26 0.45 -4.80 1.04 4.77 -0.38 -4.90 117.00 110.93 3gke n LEU 95 Ca 0.01 0.06 -0.34 0.00 -0.03 0.00 0.00 56.01 55.71 3gke n LEU 95 Cb 0.18 -0.23 -0.04 0.00 -2.33 0.00 0.00 43.42 40.99 3gke n LEU 95 CO 0.17 0.09 0.71 0.20 -1.33 0.00 0.00 177.39 177.23 3gke s ASN 96 N -2.63 6.45 0.07 -1.43 0.01 -0.79 -4.39 114.94 112.23 3gke s ASN 96 Ca 0.24 1.90 0.06 0.00 -0.71 0.00 0.00 52.86 54.34 3gke s ASN 96 Cb 0.19 -2.56 -0.04 0.00 0.41 0.00 0.00 41.25 39.26 3gke s ASN 96 CO 0.52 -0.70 -0.09 0.54 -1.51 0.00 0.00 177.10 175.85 3gke s VAL 97 N -1.99 3.44 0.24 1.60 0.11 0.23 -4.81 120.40 119.21 3gke s VAL 97 Ca 0.66 -1.09 -0.31 0.00 -2.93 0.00 0.00 61.98 58.31 3gke s VAL 97 Cb -0.15 -2.56 -0.12 0.00 -1.53 0.00 0.00 36.38 32.02 3gke s VAL 97 CO 0.19 0.22 1.65 -1.14 -3.33 0.00 0.00 175.10 172.70 3gke n ARG 98 N 1.04 2.69 -5.22 1.54 0.63 -1.26 -4.25 116.66 111.82 3gke n ARG 98 Ca -0.14 0.96 -0.31 0.00 -0.92 0.00 0.00 57.85 57.44 3gke n ARG 98 Cb 0.52 -2.77 -0.17 0.00 0.45 0.00 0.00 32.46 30.49 3gke n ARG 98 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 3gke s SER 99 N 0.85 3.00 0.00 6.15 0.15 -1.26 -1.01 113.70 121.59 3gke s SER 99 Ca 0.71 -0.51 -0.06 0.00 0.70 0.00 0.00 55.95 56.79 3gke s SER 99 Cb -0.52 -0.94 -0.05 0.00 -1.71 0.00 0.00 66.02 62.81 3gke s SER 99 CO 0.40 0.22 0.26 -0.36 1.20 0.00 0.00 173.24 174.95 3gke s PHE 100 N -0.04 3.58 0.28 3.44 0.08 0.19 -5.00 117.98 120.50 3gke s PHE 100 Ca -0.07 0.55 -0.30 0.00 0.12 0.00 0.00 56.93 57.23 3gke s PHE 100 Cb -0.14 -1.97 -0.11 0.00 -0.57 0.00 0.00 43.02 40.22 3gke s PHE 100 CO 0.05 0.62 1.58 -2.14 -0.10 0.00 0.00 175.22 175.23 3gke s PRO 101 N -1.75 4.14 -0.01 0.24 0.02 -1.26 -4.53 135.00 131.85 3gke s PRO 101 Ca 0.27 2.54 0.02 0.00 0.02 0.00 0.00 61.00 63.85 3gke s PRO 101 Cb -0.13 -3.04 -0.00 0.00 0.02 0.00 0.00 34.50 31.35 3gke s PRO 101 CO 0.16 -0.61 -0.06 0.08 -0.33 0.00 0.00 177.00 176.23 3gke s VAL 102 N 0.11 0.52 -0.06 3.83 1.01 -1.26 -1.75 120.40 122.79 3gke s VAL 102 Ca 0.64 -0.26 -0.01 0.00 0.00 0.00 0.00 61.98 62.35 3gke s VAL 102 Cb -0.47 -0.45 0.03 0.00 0.00 0.00 0.00 36.38 35.49 3gke s VAL 102 CO 0.46 0.16 0.01 -0.69 0.00 0.00 0.00 175.10 175.03 3gke s VAL 103 N -0.02 0.27 -0.32 2.92 1.01 -0.26 -5.01 120.40 118.99 3gke s VAL 103 Ca 0.01 0.15 -0.16 0.00 0.00 0.00 0.00 61.98 61.98 3gke s VAL 103 Cb -0.04 -0.43 -0.02 0.00 0.00 0.00 0.00 36.38 35.89 3gke s VAL 103 CO -0.00 0.23 0.42 -0.70 0.00 0.00 0.00 175.10 175.04 3gke s GLU 104 N 1.80 3.73 -0.22 2.72 2.12 -1.26 -1.05 118.70 126.53 3gke s GLU 104 Ca 0.02 -0.18 -0.20 0.00 0.36 0.00 0.00 54.97 54.97 3gke s GLU 104 Cb -0.13 -3.76 0.06 0.00 0.26 0.00 0.00 34.13 30.57 3gke s GLU 104 CO -0.04 -0.48 0.59 0.50 -0.54 0.00 0.00 175.26 175.28 3gke s ARG 105 N 2.16 0.68 -1.46 4.30 3.52 -0.66 -4.92 118.95 122.57 3gke s ARG 105 Ca 0.15 0.83 -0.08 0.00 -0.13 0.00 0.00 55.73 56.50 3gke s ARG 105 Cb -0.16 0.32 0.03 0.00 -1.56 0.00 0.00 34.95 33.58 3gke s ARG 105 CO 0.12 -0.09 0.84 -0.25 -0.81 0.00 0.00 175.30 175.10 3gke n ASP 106 N 2.88 -5.61 -3.57 -2.12 8.00 -1.26 -1.31 116.55 113.55 3gke n ASP 106 Ca -0.14 -0.47 -0.25 0.00 0.71 0.00 0.00 54.79 54.63 3gke n ASP 106 Cb 0.56 -4.49 0.05 0.00 -0.02 0.00 0.00 41.12 37.22 3gke n ASP 106 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gke n ALA 107 N -4.20 -1.23 -2.93 2.24 0.00 -1.26 -4.72 120.51 108.40 3gke n ALA 107 Ca -0.03 0.31 -0.11 0.00 0.00 0.00 0.00 53.44 53.61 3gke n ALA 107 Cb 0.57 -4.81 -0.11 0.00 0.00 0.00 0.00 19.45 15.10 3gke n ALA 107 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3gke s LEU 108 N -7.15 2.24 -0.40 0.00 1.43 -0.43 -4.34 118.68 110.03 3gke s LEU 108 Ca 0.55 -0.50 -0.09 0.00 -1.03 0.00 0.00 54.13 53.06 3gke s LEU 108 Cb -0.26 0.00 0.07 0.00 0.03 0.00 0.00 46.19 46.03 3gke s LEU 108 CO 0.68 -0.26 0.23 -0.63 0.23 0.00 0.00 176.35 176.61 3gke s ILE 109 N -1.39 4.23 -0.09 -0.59 -1.09 -0.61 -1.65 121.20 120.01 3gke s ILE 109 Ca -0.13 -1.28 -0.14 0.00 -2.23 0.00 0.00 60.65 56.87 3gke s ILE 109 Cb -0.10 -3.53 -0.05 0.00 -1.58 0.00 0.00 42.46 37.20 3gke s ILE 109 CO -0.00 -0.42 0.34 0.26 -1.23 0.00 0.00 174.94 173.88 3gke s TRP 110 N 1.44 3.58 0.02 3.97 0.52 -0.22 -0.77 118.94 127.49 3gke s TRP 110 Ca 0.02 0.77 0.05 0.00 0.02 0.00 0.00 56.10 56.96 3gke s TRP 110 Cb -0.22 -2.29 -0.02 0.00 -1.15 0.00 0.00 33.47 29.79 3gke s TRP 110 CO 0.03 0.45 -0.16 0.42 0.02 0.00 0.00 176.95 177.71 3gke s ILE 111 N -0.28 1.26 -0.37 2.03 1.01 0.92 -1.10 121.20 124.67 3gke s ILE 111 Ca 0.20 -0.91 -0.10 0.00 0.00 0.00 0.00 60.65 59.84 3gke s ILE 111 Cb -0.14 -1.09 0.04 0.00 0.01 0.00 0.00 42.46 41.27 3gke s ILE 111 CO 0.08 0.17 0.19 0.86 0.00 0.00 0.00 174.94 176.24 3gke s TRP 112 N -0.66 3.26 -2.54 3.97 -0.11 -0.72 -0.97 118.94 121.18 3gke s TRP 112 Ca 0.04 -1.14 0.27 0.00 1.22 0.00 0.00 56.10 56.50 3gke s TRP 112 Cb -0.07 -2.47 0.94 0.00 -1.50 0.00 0.00 33.47 30.36 3gke s TRP 112 CO 0.01 -0.69 1.68 -0.35 -4.62 0.00 0.00 176.95 172.97 3gke n PRO 113 N 4.95 1.75 0.00 5.86 -0.04 -1.25 -4.23 135.00 142.03 3gke n PRO 113 Ca -0.12 -1.08 0.00 0.00 -0.04 0.00 0.00 63.50 62.26 3gke n PRO 113 Cb 0.45 -1.47 0.00 0.00 -0.04 0.00 0.00 33.50 32.44 3gke n PRO 113 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3gke n GLY 114 N 1.19 1.71 3.62 0.55 0.00 -0.65 -4.94 105.19 106.67 3gke n GLY 114 Ca 0.18 -1.84 -0.43 0.00 0.00 0.00 0.00 46.02 43.94 3gke n GLY 114 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3gke s ASP 115 N -1.00 5.81 0.55 1.61 -1.08 -1.26 -4.84 116.67 116.46 3gke s ASP 115 Ca 0.00 1.98 0.36 0.00 -0.52 0.00 0.00 52.55 54.37 3gke s ASP 115 Cb 0.00 -2.52 1.63 0.00 -1.46 0.00 0.00 42.92 40.57 3gke s ASP 115 CO 0.00 -1.66 2.06 1.55 0.52 0.00 0.00 175.17 177.64 3gke h PRO 116 N 13.42 0.00 0.00 4.34 0.13 -1.93 -1.27 132.00 146.69 3gke h PRO 116 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 3gke h PRO 116 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3gke h PRO 116 CO 0.97 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.74 3gke h ALA 117 N 2.02 1.00 -0.01 -0.56 0.00 -2.02 -3.11 119.26 116.58 3gke h ALA 117 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3gke h ALA 117 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3gke h ALA 117 CO 0.00 0.00 -0.00 1.28 0.00 0.00 0.00 179.25 180.53 3gke n LEU 118 N -2.73 1.98 -4.57 0.00 4.77 -0.48 -4.94 117.00 111.03 3gke n LEU 118 Ca -0.01 -1.00 -0.41 0.00 -0.03 0.00 0.00 56.01 54.56 3gke n LEU 118 Cb 0.13 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.19 3gke n LEU 118 CO 0.18 0.37 1.29 0.00 -1.33 0.00 0.00 177.39 177.91 3gke s ALA 119 N -1.00 2.73 -0.31 -1.18 0.00 -1.18 -4.98 121.76 115.83 3gke s ALA 119 Ca 0.14 -0.73 -0.06 0.00 0.00 0.00 0.00 51.96 51.31 3gke s ALA 119 Cb 0.10 -4.14 0.03 0.00 0.00 0.00 0.00 23.12 19.11 3gke s ALA 119 CO 0.15 -3.08 0.07 0.34 0.00 0.00 0.00 175.76 173.24 3gke s ASP 120 N 4.83 5.13 0.46 0.00 -1.08 -1.26 -4.97 116.67 119.77 3gke s ASP 120 Ca 0.53 -0.98 0.31 0.00 -0.52 0.00 0.00 52.55 51.89 3gke s ASP 120 Cb -0.11 -1.84 1.52 0.00 -1.46 0.00 0.00 42.92 41.03 3gke s ASP 120 CO 0.23 -0.26 1.95 1.55 0.52 0.00 0.00 175.17 179.17 3gke h PRO 121 N 8.19 0.00 0.00 4.34 0.13 -2.00 -0.90 132.00 141.75 3gke h PRO 121 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 3gke h PRO 121 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 3gke h PRO 121 CO 0.59 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.77 3gke n GLY 122 N -0.59 -1.04 0.12 1.56 0.00 -1.26 -2.54 105.19 101.43 3gke n GLY 122 Ca -0.01 0.09 0.13 0.00 0.00 0.00 0.00 46.02 46.23 3gke n GLY 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gke n ALA 123 N -1.71 3.26 -2.23 4.61 0.00 -0.34 -4.88 120.51 119.21 3gke n ALA 123 Ca 0.01 -0.36 -0.42 0.00 0.00 0.00 0.00 53.44 52.67 3gke n ALA 123 Cb 0.14 -1.15 -0.03 0.00 0.00 0.00 0.00 19.45 18.41 3gke n ALA 123 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3gke s ILE 124 N -2.75 3.57 0.81 0.00 1.01 -1.05 -4.97 121.20 117.82 3gke s ILE 124 Ca 0.18 1.08 -0.11 0.00 0.00 0.00 0.00 60.65 61.81 3gke s ILE 124 Cb 0.18 -3.70 0.08 0.00 0.01 0.00 0.00 42.46 39.04 3gke s ILE 124 CO 0.60 0.06 1.10 -2.16 0.00 0.00 0.00 174.94 174.54 3gke s PRO 125 N 1.48 1.91 -0.34 2.79 0.04 -1.26 -4.97 135.00 134.65 3gke s PRO 125 Ca 0.63 1.16 -0.19 0.00 0.04 0.00 0.00 61.00 62.64 3gke s PRO 125 Cb -0.34 -1.86 -0.00 0.00 0.04 0.00 0.00 34.50 32.34 3gke s PRO 125 CO 0.29 -1.88 0.58 0.34 0.04 0.00 0.00 177.00 176.36 3gke s ASP 126 N -3.30 6.39 -0.36 6.66 2.15 -1.26 -4.92 116.67 122.03 3gke s ASP 126 Ca 0.62 0.14 0.08 0.00 0.43 0.00 0.00 52.55 53.82 3gke s ASP 126 Cb -0.18 -2.30 0.44 0.00 -0.30 0.00 0.00 42.92 40.58 3gke s ASP 126 CO 0.57 -0.51 1.13 0.49 -0.17 0.00 0.00 175.17 176.67 3gke n PHE 127 N 5.87 2.85 0.30 -5.34 3.72 -1.26 -4.92 117.46 118.68 3gke n PHE 127 Ca -0.03 -2.70 0.18 0.00 -0.05 0.00 0.00 57.45 54.84 3gke n PHE 127 Cb 0.49 -0.21 0.97 0.00 -0.94 0.00 0.00 39.48 39.78 3gke n PHE 127 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3gke h GLY 128 N 2.47 0.00 1.80 1.37 0.00 -1.92 -1.92 103.07 104.88 3gke h GLY 128 Ca 0.26 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.61 3gke h GLY 128 CO 0.74 0.00 0.08 0.00 0.00 0.00 0.00 176.54 177.37 3gke h ARG 130 N 0.00 0.00 0.00 0.00 3.08 -1.64 -2.75 114.38 113.08 3gke h ARG 130 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 3gke h ARG 130 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.24 3gke h ARG 130 CO -0.00 0.00 -0.08 1.33 -1.07 0.00 0.00 179.97 180.15 3gke n VAL 131 N -2.79 1.08 -2.98 2.04 0.24 -0.78 -4.80 118.33 110.34 3gke n VAL 131 Ca 0.02 -1.23 -0.42 0.00 -2.04 0.00 0.00 64.34 60.67 3gke n VAL 131 Cb 0.32 0.26 -0.05 0.00 -1.47 0.00 0.00 33.84 32.90 3gke n VAL 131 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3gke s ASP 132 N -1.65 6.63 0.65 -1.34 -1.08 -1.00 -4.95 116.67 113.94 3gke s ASP 132 Ca 0.13 0.64 0.31 0.00 -0.52 0.00 0.00 52.55 53.11 3gke s ASP 132 Cb 0.12 -2.39 1.67 0.00 -1.46 0.00 0.00 42.92 40.85 3gke s ASP 132 CO 0.01 -0.57 1.96 -0.65 0.52 0.00 0.00 175.17 176.44 3gke h PRO 133 N 8.10 0.00 0.00 4.34 0.11 -1.93 0.18 132.00 142.80 3gke h PRO 133 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 3gke h PRO 133 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3gke h PRO 133 CO 0.86 0.00 -0.03 0.00 -0.21 0.00 0.00 178.00 178.62 3gke n ALA 134 N -1.99 2.37 -2.54 -0.75 0.00 -1.26 -4.80 120.51 111.54 3gke n ALA 134 Ca -0.01 -0.09 -0.31 0.00 0.00 0.00 0.00 53.44 53.04 3gke n ALA 134 Cb 0.39 -1.45 -0.11 0.00 0.00 0.00 0.00 19.45 18.28 3gke n ALA 134 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3gke s TYR 135 N -3.04 2.74 -0.23 0.00 2.02 0.62 -4.54 117.35 114.93 3gke s TYR 135 Ca 0.13 -0.14 -0.08 0.00 -0.37 0.00 0.00 57.07 56.61 3gke s TYR 135 Cb 0.17 -1.52 -0.04 0.00 -0.40 0.00 0.00 41.96 40.17 3gke s TYR 135 CO 0.56 0.34 0.08 0.50 -1.57 0.00 0.00 175.55 175.46 3gke s ARG 136 N -1.58 3.81 -0.18 -0.62 6.06 0.21 -4.80 118.95 121.84 3gke s ARG 136 Ca 0.17 -0.41 -0.02 0.00 -2.50 0.00 0.00 55.73 52.97 3gke s ARG 136 Cb -0.11 -3.33 -0.01 0.00 0.06 0.00 0.00 34.95 31.57 3gke s ARG 136 CO 0.08 -0.02 -0.10 0.99 -2.50 0.00 0.00 175.30 173.75 3gke s THR 137 N 1.19 3.05 0.06 4.11 2.01 -1.25 -0.78 115.64 124.03 3gke s THR 137 Ca 0.05 -0.62 0.07 0.00 0.31 0.00 0.00 61.69 61.50 3gke s THR 137 Cb -0.14 -2.34 -0.03 0.00 0.01 0.00 0.00 72.50 70.00 3gke s THR 137 CO 0.04 0.48 -0.20 0.68 -0.69 0.00 0.00 174.62 174.93 3gke s VAL 138 N 1.08 1.58 -0.02 3.82 -7.23 -0.65 -4.98 120.40 114.00 3gke s VAL 138 Ca 0.00 -1.29 0.00 0.00 -1.81 0.00 0.00 61.98 58.88 3gke s VAL 138 Cb -0.15 -1.41 0.00 0.00 0.56 0.00 0.00 36.38 35.38 3gke s VAL 138 CO -0.02 0.07 0.00 0.61 -0.31 0.00 0.00 175.10 175.45 3gke n GLY 139 N 1.58 -0.67 0.00 2.32 0.00 -1.26 -0.62 105.19 106.54 3gke n GLY 139 Ca -0.18 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.39 3gke n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gke n GLY 140 N 0.00 -0.80 3.26 -0.02 0.00 -0.32 -4.99 105.19 102.33 3gke n GLY 140 Ca 0.00 -0.79 -0.29 0.00 0.00 0.00 0.00 46.02 44.95 3gke n GLY 140 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3gke s TYR 141 N -3.00 2.05 0.04 1.61 5.04 -1.26 -1.68 117.35 120.15 3gke s TYR 141 Ca 0.00 -0.39 0.03 0.00 -2.44 0.00 0.00 57.07 54.27 3gke s TYR 141 Cb 0.00 -1.30 -0.02 0.00 0.35 0.00 0.00 41.96 40.99 3gke s TYR 141 CO 0.00 -0.01 -0.09 0.20 -1.34 0.00 0.00 175.55 174.32 3gke s GLY 142 N -0.68 0.53 -0.13 8.97 0.00 0.24 -5.01 107.32 111.25 3gke s GLY 142 Ca 0.09 -0.69 -0.08 0.00 0.00 0.00 0.00 44.72 44.04 3gke s GLY 142 CO -0.00 -0.72 0.15 -1.58 0.00 0.00 0.00 173.10 170.95 3gke s HIS 143 N -1.06 3.56 -0.03 1.90 2.46 -1.26 -0.65 115.29 120.22 3gke s HIS 143 Ca -0.05 0.50 0.01 0.00 0.47 0.00 0.00 55.06 55.99 3gke s HIS 143 Cb -0.08 -2.00 0.01 0.00 -0.13 0.00 0.00 32.58 30.38 3gke s HIS 143 CO 0.01 0.64 -0.05 0.08 -2.47 0.00 0.00 174.74 172.95 3gke s VAL 144 N -0.73 0.50 -1.14 0.89 1.01 -0.44 -5.00 120.40 115.50 3gke s VAL 144 Ca 0.14 -0.15 -0.06 0.00 0.00 0.00 0.00 61.98 61.90 3gke s VAL 144 Cb -0.12 -0.50 0.04 0.00 0.00 0.00 0.00 36.38 35.81 3gke s VAL 144 CO 0.03 0.19 2.65 0.47 0.00 0.00 0.00 175.10 178.44 3gke n ASP 145 N 3.70 7.74 -4.14 3.32 8.00 -1.26 -0.66 116.55 133.25 3gke n ASP 145 Ca -0.22 -3.00 -0.10 0.00 0.71 0.00 0.00 54.79 52.18 3gke n ASP 145 Cb 0.53 -1.38 -0.10 0.00 -0.02 0.00 0.00 41.12 40.15 3gke n ASP 145 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gke n ASN 147 N 0.19 3.57 -0.11 0.00 2.85 -1.24 -2.56 115.26 117.95 3gke n ASN 147 Ca -0.14 1.15 0.21 0.00 -0.11 0.00 0.00 54.58 55.70 3gke n ASN 147 Cb 0.60 -1.55 0.63 0.00 1.24 0.00 0.00 39.78 40.70 3gke n ASN 147 CO 0.00 0.00 0.00 0.10 -2.11 0.00 0.00 177.26 175.25 3gke h TYR 148 N 4.44 0.18 0.00 1.20 -0.00 -1.82 -1.38 116.97 119.59 3gke h TYR 148 Ca -0.47 0.01 -0.03 0.00 -0.00 0.00 0.00 58.73 58.24 3gke h TYR 148 Cb 1.24 -0.06 -0.00 0.00 -0.00 0.00 0.00 36.73 37.91 3gke h TYR 148 CO 0.57 0.06 -0.14 0.87 -0.00 0.00 0.00 178.16 179.52 3gke h LYS 149 N 0.15 0.00 -0.33 0.10 1.57 -1.95 -0.95 116.57 115.15 3gke h LYS 149 Ca 0.35 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 59.05 3gke h LYS 149 Cb 1.17 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.46 3gke h LYS 149 CO -0.05 0.14 -0.14 -0.07 -0.57 0.00 0.00 179.45 178.75 3gke h LEU 150 N 0.00 0.58 0.01 2.94 3.38 -1.62 -0.83 115.31 119.77 3gke h LEU 150 Ca -0.00 -0.17 -0.23 0.00 0.09 0.00 0.00 57.88 57.58 3gke h LEU 150 Cb 0.29 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 3gke h LEU 150 CO 0.02 0.75 -1.11 -0.07 0.09 0.00 0.00 178.44 178.12 3gke h LEU 151 N 0.54 0.04 -0.22 1.67 3.38 -1.41 -2.03 115.31 117.27 3gke h LEU 151 Ca 0.09 -0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.07 3gke h LEU 151 Cb 0.56 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.25 3gke h LEU 151 CO 0.04 1.03 -0.07 0.58 0.09 0.00 0.00 178.44 180.11 3gke h VAL 152 N 0.01 0.75 -0.36 1.22 2.07 -1.06 -1.38 116.25 117.49 3gke h VAL 152 Ca -0.05 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.54 3gke h VAL 152 Cb 1.82 0.75 -0.07 0.00 -1.52 0.00 0.00 31.29 32.26 3gke h VAL 152 CO 0.13 0.00 -0.12 0.44 0.02 0.00 0.00 177.57 178.04 3gke h ASP 153 N -0.02 -0.43 -0.30 0.57 3.32 -1.12 -0.26 116.42 118.17 3gke h ASP 153 Ca 0.11 0.12 0.06 0.00 0.02 0.00 0.00 57.03 57.34 3gke h ASP 153 Cb 0.19 0.26 -0.06 0.00 0.22 0.00 0.00 39.33 39.94 3gke h ASP 153 CO -0.24 -0.16 -0.08 -1.13 -1.72 0.00 0.00 179.24 175.91 3gke h ASN 154 N -0.05 -0.29 0.11 6.45 -0.73 -1.08 -1.43 115.58 118.56 3gke h ASN 154 Ca 0.18 0.09 -0.12 0.00 1.87 0.00 0.00 56.30 58.33 3gke h ASN 154 Cb 0.32 0.19 -0.01 0.00 0.27 0.00 0.00 38.32 39.09 3gke h ASN 154 CO -0.40 -0.10 -0.40 -0.07 -0.37 0.00 0.00 177.43 176.09 3gke h LEU 155 N -0.01 0.39 0.00 0.34 3.38 -0.80 -3.09 115.31 115.52 3gke h LEU 155 Ca 0.15 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3gke h LEU 155 Cb 0.23 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3gke h LEU 155 CO -0.32 0.76 -0.08 0.24 0.09 0.00 0.00 178.44 179.13 3gke h MET 156 N 0.31 0.00 -3.42 1.13 2.86 -0.62 -3.35 114.93 111.84 3gke h MET 156 Ca 0.03 0.00 -0.67 0.00 -2.06 0.00 0.00 59.70 57.00 3gke h MET 156 Cb 0.84 0.00 -0.38 0.00 0.06 0.00 0.00 31.60 32.13 3gke h MET 156 CO 0.07 0.00 -0.42 0.34 1.06 0.00 0.00 176.91 177.96 3gke s ASP 157 N -5.28 5.04 0.00 1.22 2.15 -0.58 -4.27 116.67 114.96 3gke s ASP 157 Ca 0.08 -3.14 0.30 0.00 0.43 0.00 0.00 52.55 50.22 3gke s ASP 157 Cb 0.09 -1.78 1.44 0.00 -0.30 0.00 0.00 42.92 42.38 3gke s ASP 157 CO 0.64 -0.27 1.98 0.18 -0.17 0.00 0.00 175.17 177.53 3gke n LEU 158 N 3.04 0.43 -0.42 -1.34 4.77 -1.26 -2.94 117.00 119.28 3gke n LEU 158 Ca 0.10 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 3gke n LEU 158 Cb 0.36 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 3gke n LEU 158 CO 0.33 0.08 0.24 0.61 -1.33 0.00 0.00 177.39 177.32 3gke n GLY 159 N 1.18 0.92 0.15 -0.72 0.00 -1.26 -2.24 105.19 103.22 3gke n GLY 159 Ca 0.18 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.32 3gke n GLY 159 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 3gke h HIS 160 N 0.14 0.00 0.00 1.61 2.07 -1.87 -3.38 115.15 113.73 3gke h HIS 160 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3gke h HIS 160 Cb 0.35 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.33 3gke h HIS 160 CO 0.00 0.00 0.00 0.00 -3.07 0.00 0.00 177.93 174.86 3gke h ALA 161 N 2.23 1.00 0.00 6.11 0.00 -1.74 0.41 119.26 127.27 3gke h ALA 161 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3gke h ALA 161 Cb 0.88 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.67 3gke h ALA 161 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 179.25 181.21 3gke h GLN 162 N 0.00 0.00 0.00 0.00 1.08 -1.82 -2.81 115.11 111.57 3gke h GLN 162 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3gke h GLN 162 Cb 0.30 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.73 3gke h GLN 162 CO 0.00 0.00 0.00 0.66 -0.95 0.00 0.00 178.83 178.54 3gke n TYR 163 N -2.98 -0.30 -0.36 2.96 4.02 -0.08 -4.17 117.16 116.26 3gke n TYR 163 Ca -0.01 0.05 0.11 0.00 -0.01 0.00 0.00 57.90 58.05 3gke n TYR 163 Cb 0.21 0.09 0.29 0.00 -0.02 0.00 0.00 39.34 39.92 3gke n TYR 163 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 3gke h VAL 164 N 0.00 0.78 -0.42 -0.72 2.07 -1.22 -2.24 116.25 114.50 3gke h VAL 164 Ca 0.00 -0.29 -0.26 0.00 0.82 0.00 0.00 66.70 66.97 3gke h VAL 164 Cb 0.00 -0.14 -0.17 0.00 -1.52 0.00 0.00 31.29 29.46 3gke h VAL 164 CO 0.00 0.15 -0.24 1.41 0.02 0.00 0.00 177.57 178.92 3gke n HIS 165 N -4.72 1.38 0.10 1.57 8.25 -1.07 -4.82 115.22 115.91 3gke n HIS 165 Ca 0.22 -1.82 0.15 0.00 -0.26 0.00 0.00 57.72 56.01 3gke n HIS 165 Cb 0.50 -0.49 0.67 0.00 1.12 0.00 0.00 29.99 31.78 3gke n HIS 165 CO 0.00 0.00 0.00 0.07 0.64 0.00 0.00 176.34 177.05 3gke h ARG 166 N 1.31 0.01 0.00 -0.41 0.11 -1.30 0.35 114.38 114.44 3gke h ARG 166 Ca 0.24 -0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.30 3gke h ARG 166 Cb 1.46 -0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.54 3gke h ARG 166 CO 0.48 0.01 -0.10 0.00 0.10 0.00 0.00 179.97 180.46 3gke h ALA 167 N 1.84 1.03 0.00 0.08 0.00 -1.87 -3.00 119.26 117.33 3gke h ALA 167 Ca 0.16 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3gke h ALA 167 Cb 0.61 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 3gke h ALA 167 CO -0.00 0.13 -1.05 0.09 0.00 0.00 0.00 179.25 178.41 3gke n ASN 168 N -3.26 4.76 0.00 0.00 3.02 -0.19 -4.79 115.26 114.80 3gke n ASN 168 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 3gke n ASN 168 Cb 0.35 0.91 0.00 0.00 -0.61 0.00 0.00 39.78 40.43 3gke n ASN 168 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gke n ALA 169 N -1.67 1.64 -1.72 5.41 0.00 -0.06 -2.29 120.51 121.83 3gke n ALA 169 Ca -0.01 -0.29 -0.38 0.00 0.00 0.00 0.00 53.44 52.76 3gke n ALA 169 Cb 0.16 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.66 3gke n ALA 169 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3gke n GLN 170 N -0.09 1.50 -3.67 0.00 6.02 -1.13 -4.61 117.38 115.40 3gke n GLN 170 Ca 0.00 0.56 -0.12 0.00 -0.01 0.00 0.00 57.00 57.42 3gke n GLN 170 Cb 0.07 -2.51 -0.08 0.00 1.02 0.00 0.00 30.24 28.74 3gke n GLN 170 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 3gke s THR 171 N -1.32 -0.00 0.39 5.09 -1.32 -1.26 -3.94 115.64 113.27 3gke s THR 171 Ca 0.74 0.01 0.08 0.00 -1.21 0.00 0.00 61.69 61.30 3gke s THR 171 Cb -0.42 -0.83 0.20 0.00 -1.51 0.00 0.00 72.50 69.95 3gke s THR 171 CO 0.48 0.00 1.97 -0.78 -2.21 0.00 0.00 174.62 174.08 3gke h ASP 172 N 5.64 0.35 0.06 8.08 1.82 -1.96 -2.68 116.42 127.73 3gke h ASP 172 Ca -0.29 -0.05 0.00 0.00 -0.39 0.00 0.00 57.03 56.30 3gke h ASP 172 Cb 1.18 -0.09 0.00 0.00 0.68 0.00 0.00 39.33 41.10 3gke h ASP 172 CO 0.15 0.39 0.00 0.00 -1.61 0.00 0.00 179.24 178.17 3gke n ALA 173 N -2.49 1.35 -0.33 -0.78 0.00 -1.26 -3.01 120.51 113.99 3gke n ALA 173 Ca 0.01 -0.01 0.22 0.00 0.00 0.00 0.00 53.44 53.66 3gke n ALA 173 Cb 0.18 -1.05 0.45 0.00 0.00 0.00 0.00 19.45 19.03 3gke n ALA 173 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 3gke h PHE 174 N 0.00 0.81 -1.38 0.00 3.04 -1.91 0.68 116.94 118.19 3gke h PHE 174 Ca 0.00 0.04 0.47 0.00 3.98 0.00 0.00 57.97 62.46 3gke h PHE 174 Cb 0.03 -0.20 -0.13 0.00 2.56 0.00 0.00 35.95 38.21 3gke h PHE 174 CO 0.00 -0.20 0.89 -0.25 -2.02 0.00 0.00 178.31 176.73 3gke n ASP 175 N -5.10 0.19 -0.59 0.41 9.92 -1.16 -2.17 116.55 118.05 3gke n ASP 175 Ca 0.30 1.33 0.06 0.00 -0.53 0.00 0.00 54.79 55.95 3gke n ASP 175 Cb 0.95 -0.65 0.12 0.00 -0.64 0.00 0.00 41.12 40.89 3gke n ASP 175 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 3gke n ARG 176 N -4.62 0.91 -1.44 -1.24 1.74 0.23 -5.02 116.66 107.23 3gke n ARG 176 Ca 0.40 -2.43 -0.47 0.00 -0.77 0.00 0.00 57.85 54.58 3gke n ARG 176 Cb 1.55 -1.08 -0.03 0.00 -1.02 0.00 0.00 32.46 31.89 3gke n ARG 176 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3gke n LEU 177 N -0.71 -0.61 -4.06 0.55 4.32 -0.92 -4.75 117.00 110.82 3gke n LEU 177 Ca 0.12 1.13 -0.26 0.00 -0.02 0.00 0.00 56.01 56.97 3gke n LEU 177 Cb 0.76 -1.02 -0.17 0.00 -1.62 0.00 0.00 43.42 41.37 3gke n LEU 177 CO -0.02 -2.68 -0.49 -1.61 -1.22 0.00 0.00 177.39 171.38 3gke s GLU 178 N -1.13 2.00 -0.15 3.23 2.02 -1.25 -5.12 118.70 118.31 3gke s GLU 178 Ca 0.63 -0.51 -0.02 0.00 0.02 0.00 0.00 54.97 55.09 3gke s GLU 178 Cb -0.87 -1.63 0.05 0.00 0.10 0.00 0.00 34.13 31.78 3gke s GLU 178 CO 0.57 0.03 0.01 -0.98 0.02 0.00 0.00 175.26 174.91 3gke s ARG 179 N 0.68 0.78 -0.22 1.61 1.70 -1.26 -3.75 118.95 118.48 3gke s ARG 179 Ca -0.14 -0.26 -0.07 0.00 -0.47 0.00 0.00 55.73 54.79 3gke s ARG 179 Cb -0.16 -1.72 -0.04 0.00 -0.57 0.00 0.00 34.95 32.47 3gke s ARG 179 CO 0.04 -0.49 0.07 -2.00 -1.08 0.00 0.00 175.30 171.84 3gke s GLU 180 N 1.86 3.83 -0.22 3.89 2.56 -1.03 -4.89 118.70 124.69 3gke s GLU 180 Ca 0.01 -0.41 -0.10 0.00 0.00 0.00 0.00 54.97 54.48 3gke s GLU 180 Cb -0.15 -3.28 -0.05 0.00 2.00 0.00 0.00 34.13 32.65 3gke s GLU 180 CO -0.07 0.04 0.14 0.08 -0.56 0.00 0.00 175.26 174.90 3gke s VAL 181 N 1.00 5.35 -0.11 3.70 1.01 -1.26 0.43 120.40 130.52 3gke s VAL 181 Ca 0.04 0.17 0.04 0.00 0.00 0.00 0.00 61.98 62.23 3gke s VAL 181 Cb -0.14 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 32.77 3gke s VAL 181 CO 0.03 0.39 -0.23 0.27 0.00 0.00 0.00 175.10 175.56 3gke s ILE 182 N 0.72 2.06 -0.14 2.22 -4.36 0.35 -4.99 121.20 117.06 3gke s ILE 182 Ca 0.08 -1.01 -0.03 0.00 -0.26 0.00 0.00 60.65 59.43 3gke s ILE 182 Cb -0.12 -1.79 -0.03 0.00 1.25 0.00 0.00 42.46 41.77 3gke s ILE 182 CO 0.01 0.56 -0.02 -0.69 0.24 0.00 0.00 174.94 175.04 3gke s VAL 183 N 0.47 4.07 0.00 8.37 1.01 -1.26 -0.85 120.40 132.21 3gke s VAL 183 Ca -0.16 -0.31 0.00 0.00 0.00 0.00 0.00 61.98 61.52 3gke s VAL 183 Cb -0.17 -2.77 0.00 0.00 0.00 0.00 0.00 36.38 33.44 3gke s VAL 183 CO 0.06 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.29 3gke n GLY 184 N 3.15 5.57 3.44 4.51 0.00 0.27 -5.00 105.19 117.13 3gke n GLY 184 Ca -0.18 -1.74 -0.44 0.00 0.00 0.00 0.00 46.02 43.67 3gke n GLY 184 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3gke s ASP 185 N 0.35 6.23 -1.59 1.61 2.15 -1.26 -3.39 116.67 120.77 3gke s ASP 185 Ca 0.00 -0.93 0.00 0.00 0.43 0.00 0.00 52.55 52.05 3gke s ASP 185 Cb 0.00 -2.32 0.00 0.00 -0.30 0.00 0.00 42.92 40.30 3gke s ASP 185 CO 0.00 -1.01 0.00 0.61 -0.17 0.00 0.00 175.17 174.60 3gke n GLY 186 N 5.19 1.29 3.17 2.66 0.00 -1.26 -4.98 105.19 111.27 3gke n GLY 186 Ca -0.06 -0.28 -0.12 0.00 0.00 0.00 0.00 46.02 45.56 3gke n GLY 186 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3gke s GLU 187 N -3.53 0.32 -0.03 1.61 2.12 -1.22 -2.36 118.70 115.62 3gke s GLU 187 Ca 0.00 0.59 0.02 0.00 0.36 0.00 0.00 54.97 55.94 3gke s GLU 187 Cb 0.00 0.00 0.01 0.00 0.26 0.00 0.00 34.13 34.40 3gke s GLU 187 CO 0.00 -0.13 -0.06 0.42 -0.54 0.00 0.00 175.26 174.96 3gke s ILE 188 N 0.98 0.54 -0.03 -3.70 1.01 -0.63 0.94 121.20 120.30 3gke s ILE 188 Ca -0.07 -0.20 0.07 0.00 0.00 0.00 0.00 60.65 60.46 3gke s ILE 188 Cb -0.07 -0.51 -0.02 0.00 0.01 0.00 0.00 42.46 41.87 3gke s ILE 188 CO -0.07 0.19 -0.25 -1.10 0.00 0.00 0.00 174.94 173.71 3gke s GLN 189 N 0.41 2.10 -0.23 2.79 -0.21 -0.03 -0.53 119.66 123.96 3gke s GLN 189 Ca -0.05 -0.89 -0.09 0.00 0.02 0.00 0.00 55.36 54.35 3gke s GLN 189 Cb -0.09 -1.99 -0.04 0.00 1.00 0.00 0.00 33.01 31.89 3gke s GLN 189 CO 0.00 0.51 0.11 0.00 -2.12 0.00 0.00 175.29 173.79 3gke s ALA 190 N -0.52 3.38 0.49 6.09 0.00 -0.49 -0.49 121.76 130.22 3gke s ALA 190 Ca 0.08 -0.97 0.08 0.00 0.00 0.00 0.00 51.96 51.14 3gke s ALA 190 Cb -0.10 -2.16 0.02 0.00 0.00 0.00 0.00 23.12 20.88 3gke s ALA 190 CO -0.00 -0.26 0.50 -0.51 0.00 0.00 0.00 175.76 175.50 3gke s LEU 191 N 1.19 3.16 -0.30 0.00 1.43 0.17 -0.64 118.68 123.69 3gke s LEU 191 Ca 0.06 -0.87 -0.20 0.00 -1.03 0.00 0.00 54.13 52.08 3gke s LEU 191 Cb -0.14 -1.78 0.20 0.00 0.03 0.00 0.00 46.19 44.49 3gke s LEU 191 CO 0.04 -0.95 1.32 -0.32 0.23 0.00 0.00 176.35 176.67 3gke s MET 192 N -4.32 0.00 0.15 1.70 1.75 -1.26 -2.47 119.30 114.85 3gke s MET 192 Ca 0.48 0.00 -0.21 0.00 -1.25 0.00 0.00 55.69 54.71 3gke s MET 192 Cb -0.04 0.00 -0.08 0.00 2.84 0.00 0.00 34.83 37.55 3gke s MET 192 CO 0.29 -0.00 0.68 0.21 -0.65 0.00 0.00 175.02 175.55 3gke s LYS 193 N 2.14 4.34 -0.53 4.11 2.20 -1.25 -2.39 119.74 128.36 3gke s LYS 193 Ca -0.01 0.91 0.04 0.00 -0.36 0.00 0.00 55.97 56.55 3gke s LYS 193 Cb -0.01 -3.15 0.15 0.00 -1.51 0.00 0.00 37.83 33.31 3gke s LYS 193 CO -0.15 0.55 0.34 0.42 -0.36 0.00 0.00 175.35 176.15 3gke s ILE 194 N -1.24 1.92 0.18 5.43 1.09 0.37 -3.78 121.20 125.16 3gke s ILE 194 Ca 0.35 -3.25 -0.15 0.00 -1.10 0.00 0.00 60.65 56.50 3gke s ILE 194 Cb -0.20 -2.30 -0.07 0.00 -1.06 0.00 0.00 42.46 38.82 3gke s ILE 194 CO 0.22 -0.97 0.60 -2.16 -0.10 0.00 0.00 174.94 172.53 3gke s PRO 195 N -0.38 4.02 0.00 2.79 0.04 -1.26 -2.86 135.00 137.34 3gke s PRO 195 Ca 0.22 0.56 0.00 0.00 0.04 0.00 0.00 61.00 61.83 3gke s PRO 195 Cb -0.14 -2.86 0.00 0.00 0.04 0.00 0.00 34.50 31.54 3gke s PRO 195 CO -0.08 0.42 0.00 0.41 0.04 0.00 0.00 177.00 177.79 3gke n GLY 196 N 0.61 0.05 3.93 0.56 0.00 -1.01 -4.91 105.19 104.43 3gke n GLY 196 Ca -0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.73 3gke n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gke s GLY 197 N -2.00 1.65 0.26 -0.02 0.00 0.18 -4.44 107.32 102.94 3gke s GLY 197 Ca 0.00 -0.84 -0.30 0.00 0.00 0.00 0.00 44.72 43.59 3gke s GLY 197 CO 0.00 -0.52 1.03 -0.51 0.00 0.00 0.00 173.10 173.10 3gke s THR 198 N -3.04 3.76 0.32 0.90 -4.23 -1.26 0.18 115.64 112.27 3gke s THR 198 Ca 0.56 1.76 -0.29 0.00 -1.18 0.00 0.00 61.69 62.54 3gke s THR 198 Cb -0.11 -4.12 -0.10 0.00 1.34 0.00 0.00 72.50 69.52 3gke s THR 198 CO 0.44 0.41 1.19 -2.16 -0.54 0.00 0.00 174.62 173.97 3gke s PRO 199 N -1.26 4.45 1.00 3.99 0.04 -1.26 -4.69 135.00 137.28 3gke s PRO 199 Ca 0.43 1.98 -0.11 0.00 0.04 0.00 0.00 61.00 63.34 3gke s PRO 199 Cb -0.29 -3.08 0.18 0.00 0.04 0.00 0.00 34.50 31.36 3gke s PRO 199 CO 0.37 -0.02 1.04 -1.13 0.04 0.00 0.00 177.00 177.30 3gke n SER 200 N 0.89 -0.49 -0.27 6.66 3.41 -1.25 -4.70 113.62 117.87 3gke n SER 200 Ca -0.00 0.23 0.07 0.00 -0.26 0.00 0.00 58.87 58.91 3gke n SER 200 Cb 0.44 -1.39 0.22 0.00 -0.26 0.00 0.00 64.21 63.22 3gke n SER 200 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 3gke h VAL 201 N -2.13 0.56 -0.05 -3.33 2.07 -1.76 -0.76 116.25 110.85 3gke h VAL 201 Ca -0.49 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 66.90 3gke h VAL 201 Cb 1.29 0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 31.21 3gke h VAL 201 CO 0.43 0.07 0.02 0.25 0.02 0.00 0.00 177.57 178.36 3gke h LEU 202 N 0.37 0.08 -0.46 2.57 5.85 -1.81 -2.26 115.31 119.65 3gke h LEU 202 Ca 0.45 -0.19 0.06 0.00 0.84 0.00 0.00 57.88 59.04 3gke h LEU 202 Cb 0.77 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.72 3gke h LEU 202 CO -0.47 0.25 0.17 0.24 -0.34 0.00 0.00 178.44 178.28 3gke h MET 203 N -0.10 0.33 -0.94 1.25 2.86 -1.66 -0.60 114.93 116.08 3gke h MET 203 Ca 0.02 -0.02 0.11 0.00 -2.06 0.00 0.00 59.70 57.75 3gke h MET 203 Cb 0.20 -0.08 -0.07 0.00 0.06 0.00 0.00 31.60 31.71 3gke h MET 203 CO -0.00 0.22 0.60 0.00 1.06 0.00 0.00 176.91 178.79 3gke h ALA 204 N 1.30 1.63 0.00 6.32 0.00 -1.04 0.43 119.26 127.89 3gke h ALA 204 Ca 0.22 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 3gke h ALA 204 Cb 0.21 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 3gke h ALA 204 CO -0.21 0.16 -0.08 0.87 0.00 0.00 0.00 179.25 179.98 3gke h LYS 205 N 0.90 0.00 -0.20 0.00 1.57 -0.52 -3.52 116.57 114.80 3gke h LYS 205 Ca 0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.23 3gke h LYS 205 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.80 3gke h LYS 205 CO -0.21 0.08 0.00 1.97 -0.57 0.00 0.00 179.45 180.72 3gke n PHE 206 N -3.26 0.53 -1.39 -1.35 1.16 0.14 -5.06 117.46 108.23 3gke n PHE 206 Ca -0.00 -0.75 -0.53 0.00 -1.87 0.00 0.00 57.45 54.30 3gke n PHE 206 Cb 0.31 -0.18 -0.06 0.00 -1.61 0.00 0.00 39.48 37.94 3gke n PHE 206 CO 0.00 0.00 0.00 -0.35 -1.87 0.00 0.00 176.76 174.54 3gke n PRO 213 N -0.41 0.00 -4.19 3.97 -0.04 -1.26 -4.99 135.00 128.08 3gke n PRO 213 Ca 0.15 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.45 3gke n PRO 213 Cb 0.65 -1.28 -0.11 0.00 -0.04 0.00 0.00 33.50 32.71 3gke n PRO 213 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3gke s VAL 214 N -0.27 1.08 -0.17 0.52 1.01 0.13 -2.83 120.40 119.86 3gke s VAL 214 Ca 0.79 -1.59 -0.10 0.00 0.00 0.00 0.00 61.98 61.08 3gke s VAL 214 Cb -1.11 -1.34 -0.05 0.00 0.00 0.00 0.00 36.38 33.89 3gke s VAL 214 CO 0.54 -0.45 0.17 -1.81 0.00 0.00 0.00 175.10 173.55 3gke s ASP 215 N -2.30 6.30 0.27 3.32 1.01 0.47 -0.64 116.67 125.10 3gke s ASP 215 Ca 0.05 0.34 0.12 0.00 0.71 0.00 0.00 52.55 53.77 3gke s ASP 215 Cb -0.05 -2.11 -0.05 0.00 1.01 0.00 0.00 42.92 41.72 3gke s ASP 215 CO 0.01 0.21 -0.18 0.00 0.21 0.00 0.00 175.17 175.42 3gke s ALA 216 N 0.10 2.77 0.02 5.23 0.00 -1.14 -0.47 121.76 128.28 3gke s ALA 216 Ca 0.11 -1.83 0.02 0.00 0.00 0.00 0.00 51.96 50.26 3gke s ALA 216 Cb -0.12 -0.32 -0.02 0.00 0.00 0.00 0.00 23.12 22.67 3gke s ALA 216 CO 0.01 0.30 -0.07 -1.58 0.00 0.00 0.00 175.76 174.42 3gke s TRP 217 N -2.40 0.58 -0.40 0.00 0.51 0.12 -0.48 118.94 116.87 3gke s TRP 217 Ca 0.29 -0.34 0.03 0.00 -2.12 0.00 0.00 56.10 53.97 3gke s TRP 217 Cb -0.05 -0.36 0.16 0.00 -0.81 0.00 0.00 33.47 32.41 3gke s TRP 217 CO 0.15 -0.05 0.33 1.21 -0.51 0.00 0.00 176.95 178.08 3gke s ASN 218 N -1.00 1.63 0.13 2.95 3.84 -1.01 -0.72 114.94 120.76 3gke s ASN 218 Ca -0.05 -2.59 -0.01 0.00 0.21 0.00 0.00 52.86 50.41 3gke s ASN 218 Cb -0.07 -0.17 -0.04 0.00 -0.55 0.00 0.00 41.25 40.41 3gke s ASN 218 CO 0.00 -0.21 0.31 -1.81 -2.79 0.00 0.00 177.10 172.60 3gke s ASP 219 N 0.53 6.40 -0.02 -4.21 1.01 0.22 -4.39 116.67 116.21 3gke s ASP 219 Ca 0.27 0.39 0.01 0.00 0.71 0.00 0.00 52.55 53.93 3gke s ASP 219 Cb -0.06 -2.01 0.01 0.00 1.01 0.00 0.00 42.92 41.88 3gke s ASP 219 CO -0.11 0.07 -0.03 -0.51 0.21 0.00 0.00 175.17 174.80 3gke s ILE 220 N -1.67 0.29 -0.17 0.77 2.07 0.19 0.41 121.20 123.09 3gke s ILE 220 Ca 0.38 -0.07 -0.04 0.00 -1.41 0.00 0.00 60.65 59.50 3gke s ILE 220 Cb -0.12 -0.31 -0.03 0.00 0.13 0.00 0.00 42.46 42.14 3gke s ILE 220 CO 0.27 0.13 -0.01 -0.60 -1.91 0.00 0.00 174.94 172.81 3gke s ARG 221 N 0.43 3.68 -0.12 3.50 3.52 0.72 -1.39 118.95 129.30 3gke s ARG 221 Ca -0.04 -0.50 -0.03 0.00 -0.13 0.00 0.00 55.73 55.02 3gke s ARG 221 Cb -0.08 -3.00 -0.03 0.00 -1.56 0.00 0.00 34.95 30.28 3gke s ARG 221 CO -0.01 0.17 0.00 -0.46 -0.81 0.00 0.00 175.30 174.19 3gke s TRP 222 N 0.58 3.14 0.03 5.12 -0.00 0.31 -1.07 118.94 127.04 3gke s TRP 222 Ca -0.02 0.06 0.08 0.00 -0.00 0.00 0.00 56.10 56.22 3gke s TRP 222 Cb -0.14 -1.87 -0.03 0.00 -0.00 0.00 0.00 33.47 31.43 3gke s TRP 222 CO 0.02 0.30 -0.23 -0.80 -0.00 0.00 0.00 176.95 176.24 3gke s ASN 223 N -0.39 3.39 0.48 5.86 -0.87 0.09 -1.61 114.94 121.89 3gke s ASN 223 Ca 0.07 -0.49 -0.23 0.00 -1.57 0.00 0.00 52.86 50.64 3gke s ASN 223 Cb -0.12 -0.43 -0.08 0.00 -0.02 0.00 0.00 41.25 40.60 3gke s ASN 223 CO 0.02 0.27 1.07 2.29 -2.57 0.00 0.00 177.10 178.19 3gke n LYS 224 N 1.86 1.37 -0.00 -0.60 2.85 -1.00 -2.17 118.16 120.47 3gke n LYS 224 Ca -0.17 0.50 -0.20 0.00 -1.05 0.00 0.00 58.31 57.40 3gke n LYS 224 Cb 0.52 -2.19 -0.14 0.00 -0.65 0.00 0.00 35.03 32.57 3gke n LYS 224 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 3gke h VAL 225 N 1.33 1.34 -0.52 0.58 2.07 -1.94 -3.43 116.25 115.68 3gke h VAL 225 Ca -0.47 -2.42 -0.29 0.00 0.82 0.00 0.00 66.70 64.34 3gke h VAL 225 Cb 1.33 2.97 -0.27 0.00 -1.52 0.00 0.00 31.29 33.80 3gke h VAL 225 CO 0.56 0.65 -0.78 -1.54 0.02 0.00 0.00 177.57 176.48 3gke n SER 226 N -4.18 -0.26 -4.18 0.57 3.41 -1.19 -4.91 113.62 102.88 3gke n SER 226 Ca -0.19 -2.62 -0.34 0.00 -0.26 0.00 0.00 58.87 55.47 3gke n SER 226 Cb 0.77 0.26 -0.15 0.00 -0.26 0.00 0.00 64.21 64.83 3gke n SER 226 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gke s ALA 227 N -1.44 2.54 0.04 7.33 0.00 -0.92 -1.33 121.76 127.97 3gke s ALA 227 Ca 0.25 -1.30 0.07 0.00 0.00 0.00 0.00 51.96 50.98 3gke s ALA 227 Cb 0.43 -1.44 -0.03 0.00 0.00 0.00 0.00 23.12 22.08 3gke s ALA 227 CO -0.03 -0.53 -0.21 -1.64 0.00 0.00 0.00 175.76 173.36 3gke s MET 228 N 1.33 1.40 -0.12 0.00 -1.94 -0.44 -0.73 119.30 118.79 3gke s MET 228 Ca 0.03 -0.94 -0.00 0.00 -1.71 0.00 0.00 55.69 53.07 3gke s MET 228 Cb -0.15 -1.51 0.02 0.00 2.01 0.00 0.00 34.83 35.21 3gke s MET 228 CO -0.08 0.39 -0.09 -1.17 -0.01 0.00 0.00 175.02 174.06 3gke s LEU 229 N -1.17 1.26 0.48 -0.03 2.96 -0.23 -0.67 118.68 121.26 3gke s LEU 229 Ca 0.07 -0.32 0.08 0.00 -0.22 0.00 0.00 54.13 53.74 3gke s LEU 229 Cb -0.09 -0.88 0.04 0.00 0.50 0.00 0.00 46.19 45.76 3gke s LEU 229 CO 0.02 -0.11 0.65 0.54 -1.32 0.00 0.00 176.35 176.13 3gke s ASN 230 N 1.65 5.46 -0.19 3.68 4.22 -0.11 -0.20 114.94 129.46 3gke s ASN 230 Ca 0.04 -0.54 -0.05 0.00 -2.14 0.00 0.00 52.86 50.18 3gke s ASN 230 Cb -0.13 -0.36 0.07 0.00 1.28 0.00 0.00 41.25 42.11 3gke s ASN 230 CO -0.08 -0.97 0.11 0.12 -2.04 0.00 0.00 177.10 174.25 3gke s PHE 231 N -2.47 0.13 -0.18 1.54 5.36 0.17 -1.39 117.98 121.14 3gke s PHE 231 Ca 0.57 -0.29 -0.01 0.00 -0.96 0.00 0.00 56.93 56.24 3gke s PHE 231 Cb -0.09 -0.66 0.00 0.00 -0.34 0.00 0.00 43.02 41.93 3gke s PHE 231 CO 0.35 -0.56 -0.13 0.42 -1.46 0.00 0.00 175.22 173.84 3gke s ILE 232 N 2.16 2.73 -0.03 3.12 1.09 -0.37 -0.61 121.20 129.29 3gke s ILE 232 Ca 0.03 -0.73 -0.08 0.00 -1.10 0.00 0.00 60.65 58.78 3gke s ILE 232 Cb -0.16 -2.18 0.01 0.00 -1.06 0.00 0.00 42.46 39.07 3gke s ILE 232 CO -0.12 0.49 0.18 0.00 -0.10 0.00 0.00 174.94 175.39 3gke s ALA 233 N 1.12 -0.43 0.03 9.38 0.00 0.10 -1.00 121.76 130.96 3gke s ALA 233 Ca 0.01 0.16 0.00 0.00 0.00 0.00 0.00 51.96 52.12 3gke s ALA 233 Cb -0.14 -0.04 -0.03 0.00 0.00 0.00 0.00 23.12 22.91 3gke s ALA 233 CO -0.04 -0.17 -0.04 0.54 0.00 0.00 0.00 175.76 176.04 3gke s VAL 234 N -0.86 0.25 0.02 0.00 0.11 -1.10 0.11 120.40 118.93 3gke s VAL 234 Ca -0.09 -1.14 -0.28 0.00 -2.93 0.00 0.00 61.98 57.54 3gke s VAL 234 Cb -0.05 -0.60 0.08 0.00 -1.53 0.00 0.00 36.38 34.27 3gke s VAL 234 CO 0.01 -0.57 0.69 0.00 -3.33 0.00 0.00 175.10 171.90 3gke s ALA 235 N -1.93 -1.72 0.50 1.54 0.00 0.38 -3.60 121.76 116.92 3gke s ALA 235 Ca -0.10 1.01 -0.20 0.00 0.00 0.00 0.00 51.96 52.67 3gke s ALA 235 Cb -0.06 0.31 -0.12 0.00 0.00 0.00 0.00 23.12 23.25 3gke s ALA 235 CO -0.02 -0.54 0.36 -2.30 0.00 0.00 0.00 175.76 173.26 3gke n PRO 236 N 0.32 0.39 -1.62 0.00 -0.02 -1.26 -0.40 135.00 132.41 3gke n PRO 236 Ca -0.17 0.15 -0.58 0.00 -2.02 0.00 0.00 63.50 60.88 3gke n PRO 236 Cb 0.60 -1.44 -0.07 0.00 -0.02 0.00 0.00 33.50 32.57 3gke n PRO 236 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3gke n GLU 237 N 0.58 0.66 -0.03 -0.52 2.13 -1.13 -1.81 120.64 120.53 3gke n GLU 237 Ca 0.11 0.24 0.00 0.00 0.66 0.00 0.00 57.16 58.17 3gke n GLU 237 Cb 0.44 -1.83 0.00 0.00 0.27 0.00 0.00 31.44 30.32 3gke n GLU 237 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3gke n GLY 238 N 2.86 0.38 3.77 8.31 0.00 -1.26 -4.93 105.19 114.32 3gke n GLY 238 Ca 0.23 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.85 3gke n GLY 238 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gke s THR 239 N -2.07 4.48 -0.04 2.61 2.01 -0.75 -5.00 115.64 116.88 3gke s THR 239 Ca 0.00 1.67 -0.35 0.00 0.31 0.00 0.00 61.69 63.32 3gke s THR 239 Cb 0.00 -4.12 -0.13 0.00 0.01 0.00 0.00 72.50 68.26 3gke s THR 239 CO 0.00 0.48 1.75 -2.65 -0.69 0.00 0.00 174.62 173.51 3gke n PRO 240 N 1.92 1.98 -0.57 4.92 -0.02 -1.26 -4.85 135.00 137.11 3gke n PRO 240 Ca -0.05 0.72 0.43 0.00 -2.02 0.00 0.00 63.50 62.58 3gke n PRO 240 Cb 0.49 -2.51 0.67 0.00 -0.02 0.00 0.00 33.50 32.12 3gke n PRO 240 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3gke n LYS 241 N 5.37 -0.00 0.02 -0.52 4.81 -1.26 -0.74 118.16 125.84 3gke n LYS 241 Ca 0.21 0.90 0.11 0.00 -0.87 0.00 0.00 58.31 58.67 3gke n LYS 241 Cb 0.27 -2.05 0.06 0.00 0.02 0.00 0.00 35.03 33.32 3gke n LYS 241 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 3gke n GLU 242 N -3.64 0.23 -0.33 1.64 4.71 -1.26 -3.32 120.64 118.67 3gke n GLU 242 Ca 0.36 0.01 0.10 0.00 -0.01 0.00 0.00 57.16 57.62 3gke n GLU 242 Cb 1.63 -1.58 0.28 0.00 -1.01 0.00 0.00 31.44 30.76 3gke n GLU 242 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 3gke n GLN 243 N -1.88 2.83 -2.43 3.49 6.02 0.08 -4.98 117.38 120.51 3gke n GLN 243 Ca 0.03 -2.51 -0.37 0.00 -0.01 0.00 0.00 57.00 54.14 3gke n GLN 243 Cb 0.41 -1.51 -0.03 0.00 1.02 0.00 0.00 30.24 30.14 3gke n GLN 243 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3gke s SER 244 N -1.00 6.50 0.20 1.08 1.04 -1.20 -5.00 113.70 115.32 3gke s SER 244 Ca 0.42 2.14 -0.30 0.00 0.48 0.00 0.00 55.95 58.69 3gke s SER 244 Cb 0.22 -2.59 -0.09 0.00 0.10 0.00 0.00 66.02 63.66 3gke s SER 244 CO 0.28 -0.68 1.28 0.27 0.98 0.00 0.00 173.24 175.38 3gke s ILE 245 N -1.63 3.26 0.07 -1.02 -4.36 -1.24 -4.96 121.20 111.34 3gke s ILE 245 Ca 0.60 1.06 -0.10 0.00 -0.26 0.00 0.00 60.65 61.95 3gke s ILE 245 Cb -0.24 -3.67 0.01 0.00 1.25 0.00 0.00 42.46 39.80 3gke s ILE 245 CO 0.30 0.16 0.23 -1.38 0.24 0.00 0.00 174.94 174.49 3gke s HIS 246 N 0.01 0.05 -0.13 1.37 -3.43 -1.26 -2.72 115.29 109.19 3gke s HIS 246 Ca 0.55 -0.38 0.01 0.00 -0.80 0.00 0.00 55.06 54.44 3gke s HIS 246 Cb -0.36 0.00 -0.01 0.00 -1.43 0.00 0.00 32.58 30.79 3gke s HIS 246 CO 0.39 -0.53 -0.16 0.45 -2.00 0.00 0.00 174.74 172.88 3gke s SER 247 N -2.56 3.68 -0.38 7.38 0.15 -0.17 -2.41 113.70 119.39 3gke s SER 247 Ca 0.01 -0.42 -0.19 0.00 0.70 0.00 0.00 55.95 56.05 3gke s SER 247 Cb 0.02 -1.55 0.01 0.00 -1.71 0.00 0.00 66.02 62.79 3gke s SER 247 CO -0.08 0.14 0.56 -0.13 1.20 0.00 0.00 173.24 174.93 3gke s ARG 248 N 0.47 3.52 -0.23 5.44 0.52 0.21 -1.24 118.95 127.64 3gke s ARG 248 Ca -0.12 -0.21 -0.18 0.00 -0.52 0.00 0.00 55.73 54.71 3gke s ARG 248 Cb -0.16 -3.85 -0.03 0.00 0.52 0.00 0.00 34.95 31.43 3gke s ARG 248 CO 0.05 -0.75 0.50 0.20 0.02 0.00 0.00 175.30 175.31 3gke s GLY 249 N 1.82 1.95 -0.12 -3.53 0.00 -0.49 -0.59 107.32 106.37 3gke s GLY 249 Ca 0.20 -0.53 -0.30 0.00 0.00 0.00 0.00 44.72 44.09 3gke s GLY 249 CO 0.15 1.12 1.24 -1.59 0.00 0.00 0.00 173.10 174.02 3gke s THR 250 N 1.94 4.26 -0.33 0.90 2.01 0.48 -0.93 115.64 123.97 3gke s THR 250 Ca 0.22 1.55 -0.02 0.00 0.31 0.00 0.00 61.69 63.75 3gke s THR 250 Cb -0.15 -4.00 0.12 0.00 0.01 0.00 0.00 72.50 68.48 3gke s THR 250 CO 0.09 -0.08 0.18 -1.00 -0.69 0.00 0.00 174.62 173.12 3gke s HIS 251 N 2.98 0.58 -0.07 4.92 3.76 0.15 -0.82 115.29 126.79 3gke s HIS 251 Ca 0.55 -1.33 0.03 0.00 -0.15 0.00 0.00 55.06 54.17 3gke s HIS 251 Cb -0.23 -0.93 0.01 0.00 1.11 0.00 0.00 32.58 32.54 3gke s HIS 251 CO 0.18 -0.83 -0.16 0.42 -0.85 0.00 0.00 174.74 173.50 3gke s ILE 252 N 1.49 1.44 0.04 0.60 1.01 -0.32 -1.33 121.20 124.13 3gke s ILE 252 Ca 0.14 -0.66 0.07 0.00 0.00 0.00 0.00 60.65 60.20 3gke s ILE 252 Cb -0.20 -1.28 -0.03 0.00 0.01 0.00 0.00 42.46 40.96 3gke s ILE 252 CO -0.15 0.42 -0.17 -0.76 0.00 0.00 0.00 174.94 174.28 3gke s LEU 253 N 0.52 2.66 -0.06 2.97 1.43 -0.45 -0.69 118.68 125.07 3gke s LEU 253 Ca -0.15 -0.41 -0.01 0.00 -1.03 0.00 0.00 54.13 52.53 3gke s LEU 253 Cb -0.16 -1.55 0.03 0.00 0.03 0.00 0.00 46.19 44.54 3gke s LEU 253 CO 0.05 0.25 -0.01 -0.89 0.23 0.00 0.00 176.35 175.99 3gke s THR 254 N -0.95 0.35 0.25 5.49 2.01 -0.49 -4.67 115.64 117.63 3gke s THR 254 Ca 0.15 0.08 -0.31 0.00 0.31 0.00 0.00 61.69 61.92 3gke s THR 254 Cb -0.11 -0.47 -0.13 0.00 0.01 0.00 0.00 72.50 71.80 3gke s THR 254 CO 0.06 0.23 1.37 -2.65 -0.69 0.00 0.00 174.62 172.93 3gke n PRO 255 N 4.72 1.97 -0.04 4.92 -0.02 -1.26 -0.68 135.00 144.60 3gke n PRO 255 Ca -0.14 0.70 -0.04 0.00 -2.02 0.00 0.00 63.50 61.99 3gke n PRO 255 Cb 0.50 -2.33 -0.01 0.00 -0.02 0.00 0.00 33.50 31.64 3gke n PRO 255 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3gke n GLU 256 N 1.81 0.25 -4.14 -0.52 2.13 -0.47 -0.70 120.64 119.00 3gke n GLU 256 Ca 0.11 0.11 -0.25 0.00 0.66 0.00 0.00 57.16 57.79 3gke n GLU 256 Cb 0.31 -0.95 -0.06 0.00 0.27 0.00 0.00 31.44 31.02 3gke n GLU 256 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 3gke n THR 257 N -3.41 0.00 -0.15 6.31 -2.24 -1.08 -0.73 114.28 112.98 3gke n THR 257 Ca -0.06 -1.97 0.16 0.00 -2.27 0.00 0.00 64.05 59.91 3gke n THR 257 Cb 0.24 0.47 0.53 0.00 -2.10 0.00 0.00 70.33 69.46 3gke n THR 257 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3gke h GLU 258 N 0.00 0.35 -0.03 -0.78 4.57 -1.97 -3.06 114.58 113.66 3gke h GLU 258 Ca -0.33 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.83 3gke h GLU 258 Cb 1.04 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.55 3gke h GLU 258 CO 0.54 0.23 0.00 0.00 -1.18 0.00 0.00 179.01 178.60 3gke n ALA 259 N -2.54 2.33 -2.69 2.92 0.00 -1.26 -4.05 120.51 115.23 3gke n ALA 259 Ca 0.14 -2.53 -0.09 0.00 0.00 0.00 0.00 53.44 50.96 3gke n ALA 259 Cb 0.56 -0.40 -0.07 0.00 0.00 0.00 0.00 19.45 19.54 3gke n ALA 259 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3gke s SER 260 N -2.70 0.03 0.19 0.00 1.04 -1.06 -2.31 113.70 108.89 3gke s SER 260 Ca 0.32 -0.54 -0.15 0.00 0.48 0.00 0.00 55.95 56.05 3gke s SER 260 Cb 0.28 0.37 0.02 0.00 0.10 0.00 0.00 66.02 66.78 3gke s SER 260 CO 0.04 -0.74 0.47 0.00 0.98 0.00 0.00 173.24 173.98 3gke s HIS 262 N -3.90 3.36 -0.20 0.00 3.76 0.14 -1.32 115.29 117.13 3gke s HIS 262 Ca 0.12 0.30 0.01 0.00 -0.15 0.00 0.00 55.06 55.34 3gke s HIS 262 Cb -0.00 -1.93 0.05 0.00 1.11 0.00 0.00 32.58 31.81 3gke s HIS 262 CO -0.01 0.50 -0.09 -0.47 -0.85 0.00 0.00 174.74 173.82 3gke s TYR 263 N -0.62 2.30 -0.33 1.40 5.04 0.18 -1.40 117.35 123.92 3gke s TYR 263 Ca 0.11 -1.54 -0.12 0.00 -2.44 0.00 0.00 57.07 53.08 3gke s TYR 263 Cb -0.12 -1.58 -0.01 0.00 0.35 0.00 0.00 41.96 40.60 3gke s TYR 263 CO 0.02 -0.73 0.22 -0.06 -1.34 0.00 0.00 175.55 173.66 3gke s PHE 264 N 1.43 3.22 0.17 4.97 0.08 0.14 -0.59 117.98 127.39 3gke s PHE 264 Ca -0.02 -0.34 0.10 0.00 0.12 0.00 0.00 56.93 56.79 3gke s PHE 264 Cb -0.17 -2.44 -0.04 0.00 -0.57 0.00 0.00 43.02 39.80 3gke s PHE 264 CO -0.08 -0.40 -0.22 -0.59 -0.10 0.00 0.00 175.22 173.84 3gke s PHE 265 N 1.69 2.07 0.01 0.36 -0.12 -0.68 -1.18 117.98 120.13 3gke s PHE 265 Ca 0.06 -0.41 -0.28 0.00 -0.05 0.00 0.00 56.93 56.25 3gke s PHE 265 Cb -0.17 -1.05 0.09 0.00 -0.63 0.00 0.00 43.02 41.25 3gke s PHE 265 CO 0.09 0.39 0.76 0.20 -0.05 0.00 0.00 175.22 176.61 3gke s GLY 266 N -2.52 -0.51 -0.15 1.99 0.00 0.00 -1.17 107.32 104.96 3gke s GLY 266 Ca 0.17 1.11 0.02 0.00 0.00 0.00 0.00 44.72 46.01 3gke s GLY 266 CO 0.08 0.57 -0.19 -0.45 0.00 0.00 0.00 173.10 173.11 3gke s SER 267 N -1.97 3.34 -0.33 1.64 0.15 0.21 -0.39 113.70 116.35 3gke s SER 267 Ca -0.02 -0.55 -0.04 0.00 0.70 0.00 0.00 55.95 56.05 3gke s SER 267 Cb -0.01 -1.49 0.06 0.00 -1.71 0.00 0.00 66.02 62.86 3gke s SER 267 CO -0.03 0.08 0.07 -0.44 1.20 0.00 0.00 173.24 174.12 3gke s SER 268 N 0.81 5.10 0.12 5.45 0.01 0.24 -1.63 113.70 123.81 3gke s SER 268 Ca -0.06 -1.34 0.07 0.00 1.31 0.00 0.00 55.95 55.93 3gke s SER 268 Cb -0.15 -1.79 -0.04 0.00 0.21 0.00 0.00 66.02 64.25 3gke s SER 268 CO -0.01 -0.33 -0.07 0.00 0.41 0.00 0.00 173.24 173.24 3gke s ARG 269 N 1.29 2.22 -0.18 12.44 1.70 0.04 -0.62 118.95 135.85 3gke s ARG 269 Ca -0.02 -1.04 0.16 0.00 -0.47 0.00 0.00 55.73 54.35 3gke s ARG 269 Cb -0.20 -2.33 0.66 0.00 -0.57 0.00 0.00 34.95 32.51 3gke s ARG 269 CO -0.00 0.49 1.57 0.27 -1.08 0.00 0.00 175.30 176.55 3gke n ASN 270 N 0.46 4.67 -3.94 -2.89 6.94 -1.01 -0.62 115.26 118.86 3gke n ASN 270 Ca -0.12 -2.83 -0.09 0.00 -0.02 0.00 0.00 54.58 51.52 3gke n ASN 270 Cb 0.53 -0.58 -0.09 0.00 -2.36 0.00 0.00 39.78 37.28 3gke n ASN 270 CO 0.00 0.00 0.00 0.72 -1.03 0.00 0.00 177.26 176.95 3gke s PHE 271 N -2.54 0.23 -1.80 -2.53 -0.71 -1.26 -4.85 117.98 104.53 3gke s PHE 271 Ca 0.47 -0.58 -0.22 0.00 -1.04 0.00 0.00 56.93 55.57 3gke s PHE 271 Cb 0.35 -0.16 0.20 0.00 -1.21 0.00 0.00 43.02 42.20 3gke s PHE 271 CO 0.14 -0.38 0.69 0.41 -1.34 0.00 0.00 175.22 174.75 3gke n GLY 272 N 0.65 -0.42 0.09 1.99 0.00 -1.26 -4.79 105.19 101.45 3gke n GLY 272 Ca -0.18 0.10 0.12 0.00 0.00 0.00 0.00 46.02 46.05 3gke n GLY 272 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3gke n ILE 273 N -4.22 0.71 -0.68 -0.61 -5.35 -1.26 -0.98 119.36 106.97 3gke n ILE 273 Ca 0.10 0.07 0.08 0.00 -0.27 0.00 0.00 62.75 62.74 3gke n ILE 273 Cb 0.47 -0.91 0.31 0.00 -1.74 0.00 0.00 39.64 37.76 3gke n ILE 273 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 3gke n ASP 274 N -2.04 4.38 -4.15 7.28 5.75 -1.26 -4.80 116.55 121.70 3gke n ASP 274 Ca 0.04 -2.58 -0.34 0.00 -0.01 0.00 0.00 54.79 51.90 3gke n ASP 274 Cb 0.28 -0.53 -0.15 0.00 -1.03 0.00 0.00 41.12 39.70 3gke n ASP 274 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3gke s ASP 275 N -1.17 4.35 0.31 -1.12 2.15 -0.15 -4.98 116.67 116.06 3gke s ASP 275 Ca 0.45 -1.07 0.16 0.00 0.43 0.00 0.00 52.55 52.51 3gke s ASP 275 Cb 0.31 -1.63 0.39 0.00 -0.30 0.00 0.00 42.92 41.69 3gke s ASP 275 CO 0.18 -0.16 1.60 -0.65 -0.17 0.00 0.00 175.17 175.97 3gke h PRO 276 N 7.94 0.00 -0.20 4.34 0.11 -1.93 -2.81 132.00 139.46 3gke h PRO 276 Ca -0.28 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.74 3gke h PRO 276 Cb 1.08 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 3gke h PRO 276 CO 0.54 0.50 -0.25 1.49 -0.21 0.00 0.00 178.00 180.07 3gke h GLU 277 N 0.00 0.36 -0.18 1.05 4.57 -1.94 -2.17 114.58 116.28 3gke h GLU 277 Ca -0.01 -0.13 -0.20 0.00 -1.18 0.00 0.00 59.36 57.85 3gke h GLU 277 Cb 1.14 -0.03 0.01 0.00 -0.16 0.00 0.00 28.75 29.71 3gke h GLU 277 CO 0.07 0.59 -0.67 0.52 -1.18 0.00 0.00 179.01 178.34 3gke h MET 278 N 0.32 0.76 -0.66 1.92 2.86 -1.82 -2.19 114.93 116.12 3gke h MET 278 Ca 0.05 -0.58 0.13 0.00 -2.06 0.00 0.00 59.70 57.24 3gke h MET 278 Cb 0.62 0.11 -0.13 0.00 0.06 0.00 0.00 31.60 32.27 3gke h MET 278 CO 0.04 1.20 -0.19 -0.44 1.06 0.00 0.00 176.91 178.58 3gke h ASP 279 N 0.48 -0.70 -0.60 1.22 3.32 -1.33 -1.64 116.42 117.17 3gke h ASP 279 Ca -0.03 0.21 0.04 0.00 0.02 0.00 0.00 57.03 57.27 3gke h ASP 279 Cb 1.29 0.44 -0.05 0.00 0.22 0.00 0.00 39.33 41.24 3gke h ASP 279 CO 0.14 -0.24 0.34 1.23 -1.72 0.00 0.00 179.24 178.99 3gke h GLY 280 N -0.02 0.86 0.80 2.75 0.00 -1.18 -0.63 103.07 105.64 3gke h GLY 280 Ca 0.31 -0.24 0.03 0.00 0.00 0.00 0.00 47.33 47.43 3gke h GLY 280 CO -0.70 0.17 0.23 -2.08 0.00 0.00 0.00 176.54 174.16 3gke h VAL 281 N 0.65 0.98 -0.40 4.60 2.07 -0.72 -0.47 116.25 122.96 3gke h VAL 281 Ca 0.26 -0.16 -0.10 0.00 0.82 0.00 0.00 66.70 67.53 3gke h VAL 281 Cb 0.11 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 3gke h VAL 281 CO -0.14 0.08 -0.13 -0.07 0.02 0.00 0.00 177.57 177.33 3gke h LEU 282 N 0.45 0.80 -0.79 2.57 3.38 -1.07 -1.48 115.31 119.17 3gke h LEU 282 Ca 0.19 -0.38 -0.12 0.00 0.09 0.00 0.00 57.88 57.66 3gke h LEU 282 Cb 0.08 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 3gke h LEU 282 CO -0.12 0.99 -0.39 0.03 0.09 0.00 0.00 178.44 179.04 3gke h ARG 283 N 0.59 0.44 -0.39 1.13 3.08 -1.01 -1.07 114.38 117.16 3gke h ARG 283 Ca 0.10 -0.21 -0.05 0.00 0.07 0.00 0.00 59.98 59.89 3gke h ARG 283 Cb 0.66 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.69 3gke h ARG 283 CO 0.04 0.77 0.06 0.77 -1.07 0.00 0.00 179.97 180.54 3gke h SER 284 N 0.37 0.63 -0.47 7.04 0.02 -0.98 -1.22 113.55 118.94 3gke h SER 284 Ca 0.04 -0.26 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 3gke h SER 284 Cb 0.85 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 63.20 3gke h SER 284 CO 0.07 0.73 0.30 -0.25 -1.14 0.00 0.00 176.83 176.53 3gke h TRP 285 N 0.50 0.61 -0.69 3.45 2.91 -1.06 -1.04 115.95 120.63 3gke h TRP 285 Ca 0.12 0.00 0.01 0.00 1.13 0.00 0.00 58.89 60.16 3gke h TRP 285 Cb 0.37 -0.20 -0.04 0.00 -0.51 0.00 0.00 29.16 28.78 3gke h TRP 285 CO 0.03 0.41 0.45 1.96 -1.03 0.00 0.00 178.44 180.26 3gke h GLN 286 N 0.64 0.89 -0.26 2.65 4.20 -1.07 0.49 115.11 122.63 3gke h GLN 286 Ca 0.17 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.81 3gke h GLN 286 Cb -0.03 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.54 3gke h GLN 286 CO -0.03 0.59 0.09 0.00 -0.67 0.00 0.00 178.83 178.80 3gke h ALA 287 N 1.27 0.34 0.00 3.87 0.00 -0.99 -1.73 119.26 122.02 3gke h ALA 287 Ca 0.26 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3gke h ALA 287 Cb -0.07 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3gke h ALA 287 CO -0.07 -0.04 -0.00 0.37 0.00 0.00 0.00 179.25 179.51 3gke h GLN 288 N 0.27 -0.00 -0.01 0.00 5.75 -0.89 -3.07 115.11 117.17 3gke h GLN 288 Ca 0.09 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.57 3gke h GLN 288 Cb 0.22 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.77 3gke h GLN 288 CO -0.00 0.87 -0.06 0.00 -2.65 0.00 0.00 178.83 176.98 3gke h ALA 289 N 0.11 0.02 0.08 3.38 0.00 -0.11 -2.11 119.26 120.62 3gke h ALA 289 Ca -0.00 -0.38 -0.37 0.00 0.00 0.00 0.00 54.91 54.16 3gke h ALA 289 Cb 0.87 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.63 3gke h ALA 289 CO 0.00 -0.08 -2.13 1.28 0.00 0.00 0.00 179.25 178.32 3gke n LEU 290 N -4.68 2.56 0.00 0.00 4.77 -0.66 -1.14 117.00 117.84 3gke n LEU 290 Ca -0.09 0.12 0.07 0.00 -0.03 0.00 0.00 56.01 56.08 3gke n LEU 290 Cb 0.39 -0.94 -0.13 0.00 -2.33 0.00 0.00 43.42 40.41 3gke n LEU 290 CO 0.35 0.84 -0.63 0.52 -1.33 0.00 0.00 177.39 177.15 3gke n VAL 291 N -3.37 0.42 0.00 4.08 0.31 -1.12 -3.36 118.33 115.29 3gke n VAL 291 Ca -0.35 -0.58 0.00 0.00 -0.01 0.00 0.00 64.34 63.40 3gke n VAL 291 Cb 1.04 -0.20 0.00 0.00 -0.91 0.00 0.00 33.84 33.77 3gke n VAL 291 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 3gke n LYS 292 N -2.47 0.00 0.23 5.55 4.81 -1.16 -4.57 118.16 120.56 3gke n LYS 292 Ca -0.08 0.00 -0.15 0.00 -0.87 0.00 0.00 58.31 57.21 3gke n LYS 292 Cb 0.67 -0.24 -0.08 0.00 0.02 0.00 0.00 35.03 35.40 3gke n LYS 292 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 3gke h GLU 293 N 0.00 -0.51 -0.49 1.64 5.08 -1.31 -0.28 114.58 118.72 3gke h GLU 293 Ca 0.00 0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.36 3gke h GLU 293 Cb 0.00 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 3gke h GLU 293 CO 0.00 -0.34 0.16 -0.44 -1.00 0.00 0.00 179.01 177.38 3gke h ASP 294 N -0.53 0.71 -0.72 1.42 3.32 -1.30 -2.75 116.42 116.57 3gke h ASP 294 Ca -0.05 -0.20 0.15 0.00 0.02 0.00 0.00 57.03 56.95 3gke h ASP 294 Cb 0.41 -0.19 -0.11 0.00 0.22 0.00 0.00 39.33 39.67 3gke h ASP 294 CO 0.08 0.73 0.17 0.50 -1.72 0.00 0.00 179.24 179.00 3gke h LYS 295 N 0.66 0.26 -0.48 3.56 3.64 -1.51 -1.38 116.57 121.32 3gke h LYS 295 Ca 0.16 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.43 3gke h LYS 295 Cb 0.27 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 3gke h LYS 295 CO -0.01 0.17 -0.08 0.28 -2.27 0.00 0.00 179.45 177.54 3gke h VAL 296 N 0.27 1.27 0.12 2.00 2.07 -0.77 -1.11 116.25 120.11 3gke h VAL 296 Ca 0.40 -1.20 -0.01 0.00 0.82 0.00 0.00 66.70 66.71 3gke h VAL 296 Cb 0.67 1.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 3gke h VAL 296 CO -0.49 0.42 -0.06 0.58 0.02 0.00 0.00 177.57 178.03 3gke h VAL 297 N 0.75 1.00 -0.07 2.57 2.07 -1.20 -2.50 116.25 118.87 3gke h VAL 297 Ca 0.12 -0.50 -0.12 0.00 0.82 0.00 0.00 66.70 67.03 3gke h VAL 297 Cb 0.62 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 3gke h VAL 297 CO 0.04 0.12 -0.49 -0.37 0.02 0.00 0.00 177.57 176.89 3gke h VAL 298 N -0.40 1.35 -0.44 2.57 -1.51 -1.18 -1.70 116.25 114.94 3gke h VAL 298 Ca -0.02 -1.71 -0.10 0.00 -1.23 0.00 0.00 66.70 63.64 3gke h VAL 298 Cb 0.32 1.84 -0.02 0.00 -2.13 0.00 0.00 31.29 31.31 3gke h VAL 298 CO 0.03 0.50 -0.12 -0.33 -1.23 0.00 0.00 177.57 176.42 3gke h GLU 299 N 0.15 0.81 -0.59 5.19 5.08 -1.26 -0.73 114.58 123.23 3gke h GLU 299 Ca 0.01 -0.28 -0.07 0.00 -1.00 0.00 0.00 59.36 58.02 3gke h GLU 299 Cb 0.92 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.09 3gke h GLU 299 CO 0.07 0.89 0.09 0.00 -1.00 0.00 0.00 179.01 179.07 3gke h ALA 300 N 1.13 0.78 -0.43 3.43 0.00 -1.08 -2.27 119.26 120.82 3gke h ALA 300 Ca 0.12 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3gke h ALA 300 Cb 0.62 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3gke h ALA 300 CO 0.04 0.53 0.25 0.82 0.00 0.00 0.00 179.25 180.89 3gke h ILE 301 N 0.87 1.15 -0.91 0.00 2.04 -1.10 -2.37 117.51 117.20 3gke h ILE 301 Ca 0.18 -0.37 0.14 0.00 1.00 0.00 0.00 64.86 65.80 3gke h ILE 301 Cb 0.42 0.61 -0.09 0.00 -0.74 0.00 0.00 36.82 37.03 3gke h ILE 301 CO 0.01 0.16 0.52 -0.08 0.00 0.00 0.00 178.15 178.76 3gke h GLU 302 N 0.57 0.76 0.00 2.37 4.57 -0.95 -0.33 114.58 121.56 3gke h GLU 302 Ca 0.15 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.28 3gke h GLU 302 Cb 0.03 -0.17 -0.00 0.00 -0.16 0.00 0.00 28.75 28.45 3gke h GLU 302 CO -0.03 0.50 -0.03 0.00 -1.18 0.00 0.00 179.01 178.28 3gke h ARG 303 N 0.78 0.00 -0.01 1.92 3.08 -0.88 -2.07 114.38 117.21 3gke h ARG 303 Ca 0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.53 3gke h ARG 303 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.64 3gke h ARG 303 CO -0.31 0.03 -0.15 0.54 -1.07 0.00 0.00 179.97 179.00 3gke n ARG 304 N -3.18 1.19 -0.22 0.04 1.74 -0.15 -4.34 116.66 111.74 3gke n ARG 304 Ca -0.01 -0.70 -0.04 0.00 -0.77 0.00 0.00 57.85 56.33 3gke n ARG 304 Cb 0.22 -1.49 0.07 0.00 -1.02 0.00 0.00 32.46 30.25 3gke n ARG 304 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 3gke h ARG 305 N 1.71 0.70 -0.74 5.56 2.43 -1.19 -2.09 114.38 120.75 3gke h ARG 305 Ca 0.00 -0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.14 3gke h ARG 305 Cb 0.51 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 29.87 3gke h ARG 305 CO 0.00 0.46 0.49 0.00 -1.51 0.00 0.00 179.97 179.41 3gke h ALA 306 N 1.29 0.95 -0.23 2.80 0.00 -1.80 -0.06 119.26 122.21 3gke h ALA 306 Ca 0.26 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 3gke h ALA 306 Cb 0.06 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3gke h ALA 306 CO -0.12 0.34 -0.05 -0.92 0.00 0.00 0.00 179.25 178.51 3gke h TYR 307 N 0.99 0.49 -0.46 0.00 3.20 -1.78 -0.70 116.97 118.72 3gke h TYR 307 Ca 0.28 -0.10 0.02 0.00 3.14 0.00 0.00 58.73 62.07 3gke h TYR 307 Cb -0.09 -0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.02 3gke h TYR 307 CO -0.02 0.66 0.27 0.28 -1.64 0.00 0.00 178.16 177.70 3gke h VAL 308 N 0.18 1.04 -0.21 1.81 2.07 -0.97 -1.51 116.25 118.65 3gke h VAL 308 Ca 0.06 -0.18 -0.13 0.00 0.82 0.00 0.00 66.70 67.26 3gke h VAL 308 Cb 0.50 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 3gke h VAL 308 CO 0.02 0.10 -0.39 -0.33 0.02 0.00 0.00 177.57 176.99 3gke h GLU 309 N 0.53 0.64 0.00 1.57 5.08 -0.97 -0.43 114.58 121.00 3gke h GLU 309 Ca 0.18 -0.40 -0.01 0.00 -1.00 0.00 0.00 59.36 58.14 3gke h GLU 309 Cb 0.02 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 3gke h GLU 309 CO -0.09 1.02 -0.03 0.00 -1.00 0.00 0.00 179.01 178.91 3gke h ALA 310 N 0.61 1.72 -0.28 3.43 0.00 -0.90 -2.63 119.26 121.22 3gke h ALA 310 Ca 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3gke h ALA 310 Cb 0.99 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.77 3gke h ALA 310 CO 0.09 0.04 0.00 0.09 0.00 0.00 0.00 179.25 179.47 3gke n ASN 311 N -4.17 2.71 -1.78 0.00 3.02 -0.59 -4.97 115.26 109.47 3gke n ASN 311 Ca -0.03 -1.90 -0.14 0.00 -0.03 0.00 0.00 54.58 52.48 3gke n ASN 311 Cb 0.12 -0.18 0.00 0.00 -0.61 0.00 0.00 39.78 39.11 3gke n ASN 311 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gke n GLY 312 N 0.49 -0.19 3.74 7.41 0.00 -0.42 -4.95 105.19 111.28 3gke n GLY 312 Ca 0.10 -0.25 -0.40 0.00 0.00 0.00 0.00 46.02 45.47 3gke n GLY 312 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gke s ILE 313 N -2.79 4.71 0.12 -0.61 1.01 -0.30 -5.04 121.20 118.29 3gke s ILE 313 Ca 0.07 1.70 0.09 0.00 0.00 0.00 0.00 60.65 62.52 3gke s ILE 313 Cb -0.03 -4.15 -0.04 0.00 0.01 0.00 0.00 42.46 38.25 3gke s ILE 313 CO 0.09 0.35 -0.19 -0.13 0.00 0.00 0.00 174.94 175.05 3gke s ARG 314 N 0.01 1.73 0.56 2.79 0.52 -1.26 -4.79 118.95 118.51 3gke s ARG 314 Ca 0.40 -1.21 -0.18 0.00 -0.52 0.00 0.00 55.73 54.22 3gke s ARG 314 Cb -0.21 -2.08 -0.05 0.00 0.52 0.00 0.00 34.95 33.13 3gke s ARG 314 CO 0.24 0.47 1.09 -1.25 0.02 0.00 0.00 175.30 175.87 3gke s PRO 315 N -2.15 3.37 -0.29 3.54 0.04 -1.26 -5.02 135.00 133.22 3gke s PRO 315 Ca 0.18 1.42 -0.06 0.00 0.04 0.00 0.00 61.00 62.58 3gke s PRO 315 Cb -0.10 -2.03 0.01 0.00 0.04 0.00 0.00 34.50 32.42 3gke s PRO 315 CO 0.10 -0.80 0.07 0.00 0.04 0.00 0.00 177.00 176.41 3gke s ALA 316 N -2.06 3.04 0.31 8.56 0.00 -1.26 -5.09 121.76 125.24 3gke s ALA 316 Ca 0.68 -1.48 -0.10 0.00 0.00 0.00 0.00 51.96 51.07 3gke s ALA 316 Cb -0.20 -2.12 -0.07 0.00 0.00 0.00 0.00 23.12 20.73 3gke s ALA 316 CO 0.30 -0.95 0.64 -1.64 0.00 0.00 0.00 175.76 174.10 3gke s MET 317 N 1.48 3.79 0.54 0.00 -1.94 -1.26 -5.08 119.30 116.82 3gke s MET 317 Ca 0.02 0.32 0.02 0.00 -1.71 0.00 0.00 55.69 54.35 3gke s MET 317 Cb -0.17 -2.54 0.02 0.00 2.01 0.00 0.00 34.83 34.14 3gke s MET 317 CO 0.02 0.17 0.18 -0.51 -0.01 0.00 0.00 175.02 174.87 3gke s LEU 318 N -3.30 2.40 0.30 -0.03 1.43 -1.26 -5.01 118.68 113.20 3gke s LEU 318 Ca 0.49 -1.52 0.24 0.00 -1.03 0.00 0.00 54.13 52.30 3gke s LEU 318 Cb -0.11 -0.89 1.09 0.00 0.03 0.00 0.00 46.19 46.31 3gke s LEU 318 CO 0.25 -1.02 1.71 -1.54 0.23 0.00 0.00 176.35 175.99 3gke n SER 319 N -1.53 0.67 -0.72 2.29 3.41 -1.26 -2.67 113.62 113.81 3gke n SER 319 Ca -0.13 0.71 0.08 0.00 -0.26 0.00 0.00 58.87 59.27 3gke n SER 319 Cb 0.66 -0.84 0.23 0.00 -0.26 0.00 0.00 64.21 64.00 3gke n SER 319 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gke n ASP 321 N 0.64 1.63 -0.05 0.00 8.00 -1.09 -4.69 116.55 121.00 3gke n ASP 321 Ca 0.15 -1.32 -0.08 0.00 0.71 0.00 0.00 54.79 54.25 3gke n ASP 321 Cb 0.35 0.32 -0.02 0.00 -0.02 0.00 0.00 41.12 41.75 3gke n ASP 321 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 3gke h GLU 322 N 1.82 0.01 -0.44 -1.24 4.81 -1.81 -0.13 114.58 117.61 3gke h GLU 322 Ca 0.00 -0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 3gke h GLU 322 Cb 0.48 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.84 3gke h GLU 322 CO 0.00 0.01 0.03 0.00 -0.73 0.00 0.00 179.01 178.32 3gke h ALA 323 N 1.21 0.58 -0.56 2.92 0.00 -1.86 -0.05 119.26 121.51 3gke h ALA 323 Ca 0.10 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 3gke h ALA 323 Cb 0.15 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3gke h ALA 323 CO -0.21 0.34 0.19 0.00 0.00 0.00 0.00 179.25 179.57 3gke h ALA 324 N 0.92 0.73 -0.39 0.00 0.00 -1.65 -1.27 119.26 117.59 3gke h ALA 324 Ca 0.13 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 3gke h ALA 324 Cb 0.44 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3gke h ALA 324 CO 0.02 0.38 0.13 0.28 0.00 0.00 0.00 179.25 180.05 3gke h VAL 325 N 0.77 1.21 -0.44 0.00 2.07 -0.69 -0.36 116.25 118.81 3gke h VAL 325 Ca 0.18 -0.69 0.01 0.00 0.82 0.00 0.00 66.70 67.02 3gke h VAL 325 Cb 0.26 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 3gke h VAL 325 CO -0.01 0.24 0.28 0.03 0.02 0.00 0.00 177.57 178.14 3gke h ARG 326 N 0.48 0.56 -0.15 1.57 3.08 -0.85 -0.31 114.38 118.77 3gke h ARG 326 Ca 0.13 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.15 3gke h ARG 326 Cb 0.25 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 3gke h ARG 326 CO -0.00 0.37 0.09 0.28 -1.07 0.00 0.00 179.97 179.64 3gke h VAL 327 N 0.58 1.03 -0.80 2.04 2.07 -1.09 -1.74 116.25 118.34 3gke h VAL 327 Ca 0.17 -0.07 0.05 0.00 0.82 0.00 0.00 66.70 67.67 3gke h VAL 327 Cb -0.04 0.82 -0.06 0.00 -1.52 0.00 0.00 31.29 30.49 3gke h VAL 327 CO -0.05 0.04 0.50 -1.28 0.02 0.00 0.00 177.57 176.79 3gke h SER 328 N 0.19 0.79 -0.53 0.57 0.87 -0.78 -0.10 113.55 114.57 3gke h SER 328 Ca 0.05 0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.60 3gke h SER 328 Cb -0.02 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 61.76 3gke h SER 328 CO -0.02 0.52 0.24 0.03 -0.53 0.00 0.00 176.83 177.07 3gke h ARG 329 N 0.93 0.81 -0.24 2.24 3.08 -0.69 -0.73 114.38 119.78 3gke h ARG 329 Ca 0.34 -0.12 -0.11 0.00 0.07 0.00 0.00 59.98 60.16 3gke h ARG 329 Cb 0.12 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.02 3gke h ARG 329 CO -0.15 0.66 -0.30 0.93 -1.07 0.00 0.00 179.97 180.04 3gke h GLU 330 N 0.81 0.63 -0.39 0.04 4.39 -0.17 -1.35 114.58 118.53 3gke h GLU 330 Ca 0.19 -0.35 -0.01 0.00 0.34 0.00 0.00 59.36 59.53 3gke h GLU 330 Cb 0.14 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.80 3gke h GLU 330 CO -0.02 0.96 0.20 0.82 -1.16 0.00 0.00 179.01 179.81 3gke h ILE 331 N 0.33 1.16 -0.97 3.13 2.04 -1.06 -0.97 117.51 121.18 3gke h ILE 331 Ca 0.03 -0.44 0.05 0.00 1.00 0.00 0.00 64.86 65.51 3gke h ILE 331 Cb 0.87 0.73 -0.06 0.00 -0.74 0.00 0.00 36.82 37.62 3gke h ILE 331 CO 0.07 0.17 0.63 -0.33 0.00 0.00 0.00 178.15 178.69 3gke h GLU 332 N 0.50 1.13 -0.49 2.37 4.39 -1.07 0.11 114.58 121.52 3gke h GLU 332 Ca 0.14 -0.07 -0.05 0.00 0.34 0.00 0.00 59.36 59.72 3gke h GLU 332 Cb 0.09 -0.25 -0.02 0.00 -0.10 0.00 0.00 28.75 28.46 3gke h GLU 332 CO -0.02 0.75 0.11 0.87 -1.16 0.00 0.00 179.01 179.55 3gke h LYS 333 N 1.16 0.80 -0.46 2.33 1.57 -0.78 -0.59 116.57 120.59 3gke h LYS 333 Ca 0.40 -0.20 -0.08 0.00 -1.87 0.00 0.00 60.65 58.90 3gke h LYS 333 Cb 0.11 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 3gke h LYS 333 CO -0.14 0.78 -0.04 -0.07 -0.57 0.00 0.00 179.45 179.40 3gke h LEU 334 N 0.68 0.84 -0.75 2.94 3.38 -0.51 -0.40 115.31 121.48 3gke h LEU 334 Ca 0.15 -0.33 -0.06 0.00 0.09 0.00 0.00 57.88 57.73 3gke h LEU 334 Cb 0.35 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 3gke h LEU 334 CO 0.00 0.97 0.23 -0.33 0.09 0.00 0.00 178.44 179.40 3gke h GLU 335 N 0.69 1.17 0.03 1.13 5.08 -0.52 -2.09 114.58 120.06 3gke h GLU 335 Ca 0.13 -0.26 -0.24 0.00 -1.00 0.00 0.00 59.36 57.99 3gke h GLU 335 Cb 0.56 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 3gke h GLU 335 CO 0.03 1.00 -1.18 -0.56 -1.00 0.00 0.00 179.01 177.30 3gke h GLN 336 N 1.12 0.05 -0.93 2.33 3.07 -1.08 -2.77 115.11 116.91 3gke h GLN 336 Ca 0.24 -0.09 -0.00 0.00 0.09 0.00 0.00 58.65 58.89 3gke h GLN 336 Cb 0.32 0.03 -0.05 0.00 0.08 0.00 0.00 27.48 27.87 3gke h GLN 336 CO -0.01 0.96 0.57 1.25 0.09 0.00 0.00 178.83 181.70 3gke h LEU 337 N 0.01 1.10 -0.03 0.06 6.46 -0.88 -1.72 115.31 120.31 3gke h LEU 337 Ca -0.09 -0.06 -0.12 0.00 -0.12 0.00 0.00 57.88 57.50 3gke h LEU 337 Cb 1.85 -0.28 0.01 0.00 -0.73 0.00 0.00 40.66 41.51 3gke h LEU 337 CO 0.13 0.83 -0.45 -0.08 -0.62 0.00 0.00 178.44 178.26 3gke h GLU 338 N 1.28 0.35 -0.46 1.25 4.81 -1.39 -3.33 114.58 117.08 3gke h GLU 338 Ca 0.34 -0.34 -0.08 0.00 -0.13 0.00 0.00 59.36 59.14 3gke h GLU 338 Cb -0.08 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 3gke h GLU 338 CO -0.07 1.01 -0.04 0.00 -0.73 0.00 0.00 179.01 179.19 3gke h ALA 339 N 0.35 1.07 -0.16 2.92 0.00 -1.42 -2.00 119.26 120.02 3gke h ALA 339 Ca -0.05 -0.28 -0.70 0.00 0.00 0.00 0.00 54.91 53.88 3gke h ALA 339 Cb 1.15 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 3gke h ALA 339 CO 0.09 0.58 2.93 0.00 0.00 0.00 0.00 179.25 182.85 3gke n ALA 340 N -2.48 5.10 -1.63 0.00 0.00 -0.65 -5.11 120.51 115.74 3gke n ALA 340 Ca 0.02 -3.85 0.00 0.00 0.00 0.00 0.00 53.44 49.61 3gke n ALA 340 Cb 0.32 -3.56 0.00 0.00 0.00 0.00 0.00 19.45 16.22 3gke n ALA 340 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04