#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k1q s TYR 11 N 0.00 3.03 -0.44 1.09 -0.85 -1.26 -5.07 117.35 113.85 3k1q s TYR 11 Ca 0.00 0.03 -0.43 0.00 -0.52 0.00 0.00 57.07 56.15 3k1q s TYR 11 Cb 0.00 -1.78 -0.18 0.00 0.38 0.00 0.00 41.96 40.39 3k1q s TYR 11 CO 0.00 0.32 1.92 -1.71 -1.52 0.00 0.00 175.55 174.56 3k1q n ASN 12 N 2.42 1.37 0.22 -0.18 5.15 -1.26 -4.85 115.26 118.12 3k1q n ASN 12 Ca -0.18 0.86 0.08 0.00 -0.60 0.00 0.00 54.58 54.74 3k1q n ASN 12 Cb 0.53 -0.99 0.50 0.00 -0.53 0.00 0.00 39.78 39.29 3k1q n ASN 12 CO 0.00 0.00 0.00 0.16 1.40 0.00 0.00 177.26 178.82 3k1q h ILE 13 N 6.12 0.83 -0.29 -1.44 3.07 -1.97 -3.35 117.51 120.50 3k1q h ILE 13 Ca -0.29 -1.04 -0.23 0.00 1.55 0.00 0.00 64.86 64.86 3k1q h ILE 13 Cb 1.37 1.63 -0.08 0.00 -0.27 0.00 0.00 36.82 39.47 3k1q h ILE 13 CO 1.03 0.26 -0.02 0.35 -1.05 0.00 0.00 178.15 178.72 3k1q n THR 14 N -3.72 2.78 -4.75 0.16 -2.24 -1.26 -4.30 114.28 100.95 3k1q n THR 14 Ca -0.01 -1.58 -0.33 0.00 -2.27 0.00 0.00 64.05 59.86 3k1q n THR 14 Cb 0.37 -1.70 -0.08 0.00 -2.10 0.00 0.00 70.33 66.83 3k1q n THR 14 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3k1q s GLY 15 N 1.40 3.02 0.06 3.38 0.00 -1.25 -4.99 107.32 108.93 3k1q s GLY 15 Ca 0.43 -0.37 0.05 0.00 0.00 0.00 0.00 44.72 44.83 3k1q s GLY 15 CO -0.05 -2.18 -0.05 0.51 0.00 0.00 0.00 173.10 171.33 3k1q s ASP 16 N -3.86 4.69 0.00 1.64 -4.77 -1.23 -3.83 116.67 109.31 3k1q s ASP 16 Ca 0.06 -0.21 0.00 0.00 -3.30 0.00 0.00 52.55 49.09 3k1q s ASP 16 Cb 0.01 -1.06 0.00 0.00 -1.09 0.00 0.00 42.92 40.79 3k1q s ASP 16 CO 0.03 0.22 0.00 0.61 0.70 0.00 0.00 175.17 176.74 3k1q n GLY 17 N 1.04 2.34 3.64 2.12 0.00 -0.92 -3.81 105.19 109.60 3k1q n GLY 17 Ca -0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.46 3k1q n GLY 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k1q s ASN 18 N -1.90 6.29 0.20 1.61 2.20 0.08 -4.77 114.94 118.65 3k1q s ASN 18 Ca 0.00 2.08 -0.30 0.00 -0.94 0.00 0.00 52.86 53.70 3k1q s ASN 18 Cb 0.00 -2.53 -0.08 0.00 -2.00 0.00 0.00 41.25 36.64 3k1q s ASN 18 CO 0.00 -1.26 1.03 -0.55 -2.94 0.00 0.00 177.10 173.38 3k1q s SER 19 N 4.82 7.42 -0.70 3.54 0.15 -1.26 -4.13 113.70 123.54 3k1q s SER 19 Ca 0.82 2.03 0.03 0.00 0.70 0.00 0.00 55.95 59.52 3k1q s SER 19 Cb -0.33 -2.61 0.17 0.00 -1.71 0.00 0.00 66.02 61.55 3k1q s SER 19 CO 0.34 -0.07 0.50 0.12 1.20 0.00 0.00 173.24 175.32 3k1q s PHE 20 N -0.62 3.55 -0.65 3.44 5.36 -1.26 -2.81 117.98 124.98 3k1q s PHE 20 Ca 0.46 -3.20 0.05 0.00 -0.96 0.00 0.00 56.93 53.27 3k1q s PHE 20 Cb -0.28 -2.88 0.16 0.00 -0.34 0.00 0.00 43.02 39.68 3k1q s PHE 20 CO 0.34 -0.65 0.43 0.95 -1.46 0.00 0.00 175.22 174.84 3k1q s THR 21 N -1.09 2.75 -0.19 0.12 -4.23 -0.96 -2.91 115.64 109.13 3k1q s THR 21 Ca 0.23 -3.99 -0.29 0.00 -1.18 0.00 0.00 61.69 56.46 3k1q s THR 21 Cb -0.11 -2.83 -0.02 0.00 1.34 0.00 0.00 72.50 70.88 3k1q s THR 21 CO -0.11 -0.96 1.44 -2.16 -0.54 0.00 0.00 174.62 172.29 3k1q s PRO 22 N -1.12 4.03 0.08 3.99 0.04 -1.20 -4.47 135.00 136.36 3k1q s PRO 22 Ca 0.23 1.66 0.06 0.00 0.04 0.00 0.00 61.00 62.99 3k1q s PRO 22 Cb -0.10 -3.90 -0.03 0.00 0.04 0.00 0.00 34.50 30.51 3k1q s PRO 22 CO -0.12 -0.99 -0.17 0.95 0.04 0.00 0.00 177.00 176.71 3k1q s THR 23 N 4.26 1.36 0.52 1.26 -4.23 -1.26 -1.06 115.64 116.48 3k1q s THR 23 Ca 0.63 -1.38 0.23 0.00 -1.18 0.00 0.00 61.69 59.98 3k1q s THR 23 Cb -0.23 -1.26 0.37 0.00 1.34 0.00 0.00 72.50 72.71 3k1q s THR 23 CO 0.23 -0.14 2.01 0.77 -0.54 0.00 0.00 174.62 176.95 3k1q h SER 24 N 4.24 0.05 -0.70 3.99 4.64 0.72 0.19 113.55 126.69 3k1q h SER 24 Ca -0.43 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 60.91 3k1q h SER 24 Cb 1.19 -0.01 -0.04 0.00 -0.31 0.00 0.00 62.40 63.23 3k1q h SER 24 CO 0.40 0.03 0.46 -0.78 -0.87 0.00 0.00 176.83 176.07 3k1q h ASP 25 N 0.05 0.78 -1.60 4.97 3.58 -1.85 -3.29 116.42 119.06 3k1q h ASP 25 Ca 0.22 -0.02 -0.64 0.00 0.42 0.00 0.00 57.03 57.02 3k1q h ASP 25 Cb 0.82 -0.19 -0.38 0.00 1.72 0.00 0.00 39.33 41.30 3k1q h ASP 25 CO -0.01 0.55 -0.25 0.23 -2.88 0.00 0.00 179.24 176.88 3k1q n MET 26 N -4.44 3.25 -2.23 0.28 2.81 0.66 -3.75 117.12 113.70 3k1q n MET 26 Ca 0.08 -4.23 -0.42 0.00 -1.81 0.00 0.00 57.70 51.32 3k1q n MET 26 Cb 0.06 -2.26 -0.02 0.00 -0.71 0.00 0.00 33.22 30.29 3k1q n MET 26 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 3k1q s THR 27 N -5.37 3.72 0.00 2.03 2.01 -1.21 -4.57 115.64 112.24 3k1q s THR 27 Ca 0.49 0.69 0.00 0.00 0.31 0.00 0.00 61.69 63.19 3k1q s THR 27 Cb 0.41 -4.07 0.00 0.00 0.01 0.00 0.00 72.50 68.85 3k1q s THR 27 CO -0.24 -0.75 0.00 -1.20 -0.69 0.00 0.00 174.62 171.74 3k1q n SER 28 N 9.70 0.00 -3.64 3.53 7.64 -1.26 -4.80 113.62 124.79 3k1q n SER 28 Ca 0.18 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 60.03 3k1q n SER 28 Cb 0.48 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.64 3k1q n SER 28 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 3k1q s THR 29 N 0.00 0.00 0.00 0.44 -1.32 -1.26 -5.08 115.64 108.41 3k1q s THR 29 Ca 0.00 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 3k1q s THR 29 Cb 0.00 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.99 3k1q s THR 29 CO 0.00 0.00 0.00 0.00 -2.21 0.00 0.00 174.62 172.41 3k1q n ALA 30 N 0.42 0.00 -3.68 11.08 0.00 -1.26 -4.92 120.51 122.15 3k1q n ALA 30 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.07 3k1q n ALA 30 Cb 0.58 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.94 3k1q n ALA 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k1q s ALA 31 N -2.00 3.55 0.03 0.00 0.00 -1.26 -5.00 121.76 117.08 3k1q s ALA 31 Ca 0.00 -3.11 -0.28 0.00 0.00 0.00 0.00 51.96 48.57 3k1q s ALA 31 Cb 0.00 -2.72 -0.17 0.00 0.00 0.00 0.00 23.12 20.23 3k1q s ALA 31 CO 0.00 -2.06 1.34 -1.35 0.00 0.00 0.00 175.76 173.69 3k1q h PRO 32 N 7.35 -0.62 -3.19 0.00 0.11 -2.05 -3.47 132.00 130.12 3k1q h PRO 32 Ca -0.04 0.04 -0.10 0.00 0.11 0.00 0.00 66.00 66.02 3k1q h PRO 32 Cb 0.98 0.14 -0.18 0.00 0.11 0.00 0.00 31.00 32.06 3k1q h PRO 32 CO 0.73 -0.33 -0.23 0.00 -0.21 0.00 0.00 178.00 177.96 3k1q s ALA 33 N -5.26 -0.76 0.24 -0.75 0.00 -1.26 -5.16 121.76 108.80 3k1q s ALA 33 Ca -0.15 0.13 0.10 0.00 0.00 0.00 0.00 51.96 52.04 3k1q s ALA 33 Cb 0.03 0.27 -0.04 0.00 0.00 0.00 0.00 23.12 23.37 3k1q s ALA 33 CO 0.55 -0.38 -0.07 0.96 0.00 0.00 0.00 175.76 176.81 3k1q s ILE 34 N -2.26 3.19 -0.02 0.00 -5.25 -1.26 -5.09 121.20 110.51 3k1q s ILE 34 Ca -0.07 -1.91 -0.30 0.00 -0.99 0.00 0.00 60.65 57.39 3k1q s ILE 34 Cb -0.02 -2.66 -0.07 0.00 2.95 0.00 0.00 42.46 42.67 3k1q s ILE 34 CO -0.01 -0.28 1.84 -0.62 -1.79 0.00 0.00 174.94 174.07 3k1q s ASP 35 N -3.34 6.48 -0.33 4.36 2.15 -1.26 -4.92 116.67 119.79 3k1q s ASP 35 Ca 0.29 2.41 0.11 0.00 0.43 0.00 0.00 52.55 55.79 3k1q s ASP 35 Cb -0.07 -2.53 0.46 0.00 -0.30 0.00 0.00 42.92 40.48 3k1q s ASP 35 CO 0.17 -1.06 1.12 -0.11 -0.17 0.00 0.00 175.17 175.12 3k1q n LEU 36 N 7.65 3.77 -4.76 -1.34 7.94 -1.26 -4.98 117.00 124.02 3k1q n LEU 36 Ca 0.19 -4.44 -0.40 0.00 -1.11 0.00 0.00 56.01 50.25 3k1q n LEU 36 Cb 0.42 -0.12 -0.04 0.00 0.53 0.00 0.00 43.42 44.21 3k1q n LEU 36 CO 0.65 1.88 0.85 -0.75 -1.11 0.00 0.00 177.39 178.91 3k1q s LYS 37 N -3.55 4.55 0.18 1.96 2.20 -1.26 -4.83 119.74 118.99 3k1q s LYS 37 Ca 0.42 1.92 -0.16 0.00 -0.36 0.00 0.00 55.97 57.79 3k1q s LYS 37 Cb 0.40 -3.16 0.13 0.00 -1.51 0.00 0.00 37.83 33.68 3k1q s LYS 37 CO -0.04 0.08 1.66 -1.35 -0.36 0.00 0.00 175.35 175.34 3k1q h PRO 38 N 3.81 0.01 -0.97 4.03 0.11 -2.00 0.56 132.00 137.54 3k1q h PRO 38 Ca -0.47 -0.00 0.32 0.00 0.11 0.00 0.00 66.00 65.96 3k1q h PRO 38 Cb 1.22 -0.00 -0.17 0.00 0.11 0.00 0.00 31.00 32.15 3k1q h PRO 38 CO 0.67 0.01 0.32 0.78 -0.21 0.00 0.00 178.00 179.57 3k1q h GLY 39 N 0.01 1.74 2.00 -0.55 0.00 -2.04 -0.14 103.07 104.10 3k1q h GLY 39 Ca 0.22 -0.04 -0.09 0.00 0.00 0.00 0.00 47.33 47.42 3k1q h GLY 39 CO -0.45 -0.59 -0.41 -2.08 0.00 0.00 0.00 176.54 173.01 3k1q h VAL 40 N 0.09 0.73 -0.01 4.60 2.07 -1.27 -3.29 116.25 119.17 3k1q h VAL 40 Ca 0.70 -1.97 0.00 0.00 0.82 0.00 0.00 66.70 66.25 3k1q h VAL 40 Cb 1.62 2.31 -0.00 0.00 -1.52 0.00 0.00 31.29 33.71 3k1q h VAL 40 CO -0.77 0.40 0.01 -0.07 0.02 0.00 0.00 177.57 177.16 3k1q h LEU 41 N 0.00 0.00 0.00 2.57 3.38 -0.22 -3.40 115.31 117.64 3k1q h LEU 41 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3k1q h LEU 41 Cb 1.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.03 3k1q h LEU 41 CO 0.05 0.00 0.00 -3.20 0.09 0.00 0.00 178.44 175.38 3k1q n ASN 42 N -4.13 0.00 0.00 -0.43 4.05 -1.24 -4.82 115.26 108.70 3k1q n ASN 42 Ca -0.03 0.76 0.00 0.00 0.45 0.00 0.00 54.58 55.76 3k1q n ASN 42 Cb 0.09 -0.26 0.00 0.00 1.23 0.00 0.00 39.78 40.84 3k1q n ASN 42 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 177.26 171.56 3k1q n PRO 43 N -1.32 0.00 0.00 1.20 -0.02 -1.26 -4.54 135.00 129.06 3k1q n PRO 43 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3k1q n PRO 43 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 3k1q n PRO 43 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 3k1q n THR 44 N 0.00 0.00 -1.86 3.45 5.66 -1.21 -1.98 114.28 118.34 3k1q n THR 44 Ca 0.00 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.58 3k1q n THR 44 Cb 0.00 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 68.75 3k1q n THR 44 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 3k1q s GLY 45 N 0.00 1.49 0.36 1.09 0.00 -1.26 -4.75 107.32 104.26 3k1q s GLY 45 Ca 0.00 1.25 -0.25 0.00 0.00 0.00 0.00 44.72 45.73 3k1q s GLY 45 CO 0.00 3.03 1.00 1.25 0.00 0.00 0.00 173.10 178.37 3k1q s LYS 46 N 2.98 4.37 -0.14 2.90 2.47 -0.96 -1.18 119.74 130.18 3k1q s LYS 46 Ca 0.77 1.40 -0.21 0.00 -1.56 0.00 0.00 55.97 56.37 3k1q s LYS 46 Cb -0.41 -2.64 -0.03 0.00 -1.46 0.00 0.00 37.83 33.29 3k1q s LYS 46 CO 0.34 0.07 0.63 -1.17 0.16 0.00 0.00 175.35 175.37 3k1q s LEU 47 N -2.40 4.23 0.00 5.43 0.20 -1.25 -1.85 118.68 123.04 3k1q s LEU 47 Ca 0.54 0.95 0.00 0.00 0.69 0.00 0.00 54.13 56.32 3k1q s LEU 47 Cb -0.20 -2.92 -0.00 0.00 -0.43 0.00 0.00 46.19 42.64 3k1q s LEU 47 CO 0.25 -0.17 0.01 0.79 -0.29 0.00 0.00 176.35 176.94 3k1q n TRP 48 N 4.38 0.24 -3.67 5.38 7.02 0.63 -1.98 117.44 129.44 3k1q n TRP 48 Ca -0.02 -0.68 -0.14 0.00 -1.02 0.00 0.00 57.50 55.64 3k1q n TRP 48 Cb 0.51 -0.07 -0.08 0.00 -2.42 0.00 0.00 31.31 29.25 3k1q n TRP 48 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 3k1q s ARG 49 N -2.47 0.72 -0.83 -0.99 1.81 -0.43 -0.75 118.95 116.01 3k1q s ARG 49 Ca 0.01 0.42 -0.24 0.00 -1.72 0.00 0.00 55.73 54.20 3k1q s ARG 49 Cb 0.00 0.34 -0.18 0.00 -0.45 0.00 0.00 34.95 34.66 3k1q s ARG 49 CO 0.01 -0.15 1.90 -0.35 -0.68 0.00 0.00 175.30 176.03 3k1q n PRO 50 N 2.05 1.14 0.00 3.54 -0.04 -1.26 -2.01 135.00 138.42 3k1q n PRO 50 Ca -0.16 -1.92 0.00 0.00 -0.04 0.00 0.00 63.50 61.38 3k1q n PRO 50 Cb 0.56 -3.26 0.00 0.00 -0.04 0.00 0.00 33.50 30.77 3k1q n PRO 50 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3k1q n VAL 51 N 7.16 0.00 0.00 0.52 0.31 -0.74 -3.00 118.33 122.58 3k1q n VAL 51 Ca 0.47 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.80 3k1q n VAL 51 Cb 0.44 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.37 3k1q n VAL 51 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3k1q n GLY 52 N 0.00 0.09 3.60 2.92 0.00 -1.26 -4.52 105.19 106.02 3k1q n GLY 52 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 3k1q n GLY 52 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3k1q s THR 53 N 0.00 1.54 0.51 2.61 -4.23 -1.16 -5.09 115.64 109.83 3k1q s THR 53 Ca 0.00 0.00 -0.09 0.00 -1.18 0.00 0.00 61.69 60.42 3k1q s THR 53 Cb 0.00 -2.53 0.13 0.00 1.34 0.00 0.00 72.50 71.45 3k1q s THR 53 CO 0.00 0.00 0.34 -1.54 -0.54 0.00 0.00 174.62 172.88 3k1q n SER 54 N -4.81 -2.37 -4.55 3.99 3.41 -1.26 -4.74 113.62 103.28 3k1q n SER 54 Ca 0.15 -0.45 -0.41 0.00 -0.26 0.00 0.00 58.87 57.90 3k1q n SER 54 Cb 0.60 -0.37 -0.03 0.00 -0.26 0.00 0.00 64.21 64.15 3k1q n SER 54 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3k1q s VAL 55 N -1.50 3.96 0.00 -3.33 1.01 -1.26 -3.52 120.40 115.76 3k1q s VAL 55 Ca 0.25 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.46 3k1q s VAL 55 Cb -0.04 -5.04 0.00 0.00 0.00 0.00 0.00 36.38 31.31 3k1q s VAL 55 CO 0.20 -1.91 0.00 0.00 0.00 0.00 0.00 175.10 173.40 3k1q n ALA 56 N 8.76 0.16 0.46 5.51 0.00 -1.26 -5.01 120.51 129.13 3k1q n ALA 56 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.75 3k1q n ALA 56 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 3k1q n ALA 56 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3k1q n THR 57 N -2.37 0.01 -0.41 0.00 -2.24 -1.23 -4.45 114.28 103.59 3k1q n THR 57 Ca 0.00 0.00 0.36 0.00 -2.27 0.00 0.00 64.05 62.14 3k1q n THR 57 Cb 0.00 -0.24 0.64 0.00 -2.10 0.00 0.00 70.33 68.62 3k1q n THR 57 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 3k1q h ILE 58 N 0.01 0.03 -0.51 2.28 2.04 -1.88 0.16 117.51 119.64 3k1q h ILE 58 Ca 0.00 -0.01 0.15 0.00 1.00 0.00 0.00 64.86 66.00 3k1q h ILE 58 Cb 0.24 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.30 3k1q h ILE 58 CO 0.00 0.01 0.64 -2.24 0.00 0.00 0.00 178.15 176.55 3k1q h ASP 59 N 0.03 0.00 -3.31 1.72 3.04 -1.93 -3.39 116.42 112.59 3k1q h ASP 59 Ca 0.86 0.00 -0.54 0.00 -3.24 0.00 0.00 57.03 54.11 3k1q h ASP 59 Cb 2.55 0.00 -0.35 0.00 -1.04 0.00 0.00 39.33 40.49 3k1q h ASP 59 CO -0.57 0.00 -0.82 -0.44 -2.04 0.00 0.00 179.24 175.37 3k1q s SER 60 N -4.67 2.06 -0.02 4.15 0.01 0.04 -5.10 113.70 110.17 3k1q s SER 60 Ca -0.04 -0.33 0.05 0.00 1.31 0.00 0.00 55.95 56.94 3k1q s SER 60 Cb 0.14 -0.90 -0.01 0.00 0.21 0.00 0.00 66.02 65.46 3k1q s SER 60 CO 0.48 -0.02 -0.17 -0.76 0.41 0.00 0.00 173.24 173.18 3k1q s LEU 61 N 1.07 1.98 -0.16 2.44 1.43 -1.26 -1.78 118.68 122.40 3k1q s LEU 61 Ca -0.06 -0.33 -0.05 0.00 -1.03 0.00 0.00 54.13 52.66 3k1q s LEU 61 Cb -0.15 -0.92 -0.03 0.00 0.03 0.00 0.00 46.19 45.12 3k1q s LEU 61 CO -0.01 0.19 0.02 0.00 0.23 0.00 0.00 176.35 176.77 3k1q s ALA 62 N -0.23 3.26 0.32 4.21 0.00 -0.85 -4.87 121.76 123.59 3k1q s ALA 62 Ca 0.03 -0.78 -0.29 0.00 0.00 0.00 0.00 51.96 50.92 3k1q s ALA 62 Cb -0.09 -1.73 -0.11 0.00 0.00 0.00 0.00 23.12 21.20 3k1q s ALA 62 CO 0.00 0.27 1.54 0.96 0.00 0.00 0.00 175.76 178.53 3k1q s ILE 63 N 0.14 2.14 1.18 0.00 -5.25 -1.26 -1.31 121.20 116.84 3k1q s ILE 63 Ca 0.02 0.12 -0.17 0.00 -0.99 0.00 0.00 60.65 59.63 3k1q s ILE 63 Cb -0.13 -3.08 0.24 0.00 2.95 0.00 0.00 42.46 42.44 3k1q s ILE 63 CO 0.01 0.02 0.51 1.33 -1.79 0.00 0.00 174.94 175.03 3k1q n VAL 64 N 1.61 0.00 -2.57 8.37 0.24 -0.84 -4.74 118.33 120.39 3k1q n VAL 64 Ca 0.05 -0.09 -0.42 0.00 -2.04 0.00 0.00 64.34 61.84 3k1q n VAL 64 Cb 0.38 -0.70 -0.01 0.00 -1.47 0.00 0.00 33.84 32.05 3k1q n VAL 64 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3k1q s SER 65 N -2.33 6.75 0.44 -1.34 0.15 -0.78 -4.73 113.70 111.86 3k1q s SER 65 Ca 0.50 -2.19 0.15 0.00 0.70 0.00 0.00 55.95 55.11 3k1q s SER 65 Cb -0.10 -2.58 0.99 0.00 -1.71 0.00 0.00 66.02 62.63 3k1q s SER 65 CO 0.47 -1.26 1.97 -2.24 1.20 0.00 0.00 173.24 173.38 3k1q h ASP 66 N 8.14 0.00 -0.32 5.45 -0.00 -1.60 0.12 116.42 128.21 3k1q h ASP 66 Ca 0.39 0.00 0.05 0.00 -0.00 0.00 0.00 57.03 57.47 3k1q h ASP 66 Cb 0.91 0.00 -0.05 0.00 -0.00 0.00 0.00 39.33 40.18 3k1q h ASP 66 CO 1.45 0.20 -0.12 0.54 -0.00 0.00 0.00 179.24 181.32 3k1q n ARG 67 N -4.24 -0.07 0.00 4.15 1.74 -1.26 -3.80 116.66 113.18 3k1q n ARG 67 Ca -0.02 0.50 0.00 0.00 -0.77 0.00 0.00 57.85 57.56 3k1q n ARG 67 Cb 0.27 -0.74 0.00 0.00 -1.02 0.00 0.00 32.46 30.97 3k1q n ARG 67 CO 0.00 0.00 0.00 1.97 -1.52 0.00 0.00 177.63 178.08 3k1q n PHE 68 N -4.49 0.00 0.00 -1.55 1.16 -1.07 -5.12 117.46 106.40 3k1q n PHE 68 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.62 3k1q n PHE 68 Cb 0.14 0.09 0.00 0.00 -1.61 0.00 0.00 39.48 38.10 3k1q n PHE 68 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3k1q n GLY 69 N 0.00 1.89 0.00 4.97 0.00 0.41 -4.90 105.19 107.56 3k1q n GLY 69 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3k1q n GLY 69 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3k1q n GLN 70 N 0.00 0.00 -0.34 1.61 3.00 -1.17 -3.64 117.38 116.84 3k1q n GLN 70 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3k1q n GLN 70 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 3k1q n GLN 70 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 3k1q n TYR 71 N 0.00 -0.47 -1.16 1.08 4.01 -1.26 -1.88 117.16 117.48 3k1q n TYR 71 Ca 0.00 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.39 3k1q n TYR 71 Cb 0.00 0.00 0.09 0.00 -0.31 0.00 0.00 39.34 39.12 3k1q n TYR 71 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 3k1q n SER 72 N -0.56 -0.91 -4.59 7.72 7.64 -1.26 -3.92 113.62 117.74 3k1q n SER 72 Ca 0.00 0.55 -0.52 0.00 1.01 0.00 0.00 58.87 59.91 3k1q n SER 72 Cb 0.00 -1.27 -0.06 0.00 -1.01 0.00 0.00 64.21 61.86 3k1q n SER 72 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 3k1q n PHE 73 N -2.75 1.94 -1.84 1.43 7.35 -0.33 -3.51 117.46 119.75 3k1q n PHE 73 Ca 0.10 0.27 -0.40 0.00 -0.76 0.00 0.00 57.45 56.66 3k1q n PHE 73 Cb 0.51 -2.55 0.01 0.00 0.35 0.00 0.00 39.48 37.79 3k1q n PHE 73 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 3k1q s VAL 74 N 5.41 2.16 -0.64 -2.13 1.01 0.21 -3.34 120.40 123.08 3k1q s VAL 74 Ca 1.02 0.14 -0.26 0.00 0.00 0.00 0.00 61.98 62.88 3k1q s VAL 74 Cb -0.86 -3.09 -0.06 0.00 0.00 0.00 0.00 36.38 32.37 3k1q s VAL 74 CO 0.54 0.02 2.17 0.21 0.00 0.00 0.00 175.10 178.05 3k1q s ASN 75 N -0.46 4.69 0.15 3.32 3.84 -0.84 -4.66 114.94 120.99 3k1q s ASN 75 Ca 0.58 0.42 -0.00 0.00 0.21 0.00 0.00 52.86 54.07 3k1q s ASN 75 Cb -0.43 -2.53 0.35 0.00 -0.55 0.00 0.00 41.25 38.08 3k1q s ASN 75 CO 0.57 -2.89 0.78 1.21 -2.79 0.00 0.00 177.10 173.98 3k1q n GLU 76 N 9.01 -0.04 -0.04 0.43 2.13 -1.26 -0.70 120.64 130.17 3k1q n GLU 76 Ca 0.34 0.76 -0.16 0.00 0.66 0.00 0.00 57.16 58.76 3k1q n GLU 76 Cb 0.51 -1.18 -0.07 0.00 0.27 0.00 0.00 31.44 30.97 3k1q n GLU 76 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 3k1q h GLY 77 N 0.00 0.74 0.99 8.31 0.00 -1.94 -1.99 103.07 109.18 3k1q h GLY 77 Ca 0.29 -0.97 -0.06 0.00 0.00 0.00 0.00 47.33 46.59 3k1q h GLY 77 CO -0.48 0.86 0.06 1.98 0.00 0.00 0.00 176.54 178.96 3k1q h MET 78 N 0.36 0.83 -0.39 4.80 1.85 -1.79 0.34 114.93 120.93 3k1q h MET 78 Ca -0.02 -0.23 0.08 0.00 -0.61 0.00 0.00 59.70 58.92 3k1q h MET 78 Cb 1.17 -0.09 -0.08 0.00 0.43 0.00 0.00 31.60 33.03 3k1q h MET 78 CO 0.12 0.84 -0.14 0.07 -0.40 0.00 0.00 176.91 177.40 3k1q h ARG 79 N 0.70 -0.05 -0.07 0.39 0.11 -0.81 0.19 114.38 114.84 3k1q h ARG 79 Ca 0.15 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.23 3k1q h ARG 79 Cb 0.43 0.01 -0.00 0.00 1.11 0.00 0.00 29.97 31.52 3k1q h ARG 79 CO 0.01 -0.03 0.04 0.93 0.10 0.00 0.00 179.97 181.02 3k1q h GLU 80 N -0.05 0.09 0.31 0.08 5.08 -0.96 -1.57 114.58 117.56 3k1q h GLU 80 Ca 0.19 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 3k1q h GLU 80 Cb 0.34 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 3k1q h GLU 80 CO -0.43 0.09 -0.40 1.79 -1.00 0.00 0.00 179.01 179.07 3k1q h THR 81 N 0.07 0.20 -0.91 1.13 1.35 -0.22 -2.91 112.91 111.61 3k1q h THR 81 Ca 0.03 0.00 0.12 0.00 -0.55 0.00 0.00 66.41 66.00 3k1q h THR 81 Cb 0.02 0.20 -0.08 0.00 -1.73 0.00 0.00 68.15 66.56 3k1q h THR 81 CO -0.00 0.00 0.54 -0.26 -0.25 0.00 0.00 175.52 175.54 3k1q h PHE 82 N -0.75 0.97 -0.83 4.73 0.04 -0.60 -1.81 116.94 118.68 3k1q h PHE 82 Ca -0.01 0.03 0.02 0.00 2.80 0.00 0.00 57.97 60.81 3k1q h PHE 82 Cb 0.70 -0.30 -0.04 0.00 2.20 0.00 0.00 35.95 38.51 3k1q h PHE 82 CO -0.26 0.36 0.54 1.03 -0.60 0.00 0.00 178.31 179.38 3k1q h SER 83 N 0.84 0.92 -0.65 2.17 0.87 -1.30 -1.91 113.55 114.49 3k1q h SER 83 Ca 0.46 -0.02 0.03 0.00 -1.23 0.00 0.00 61.79 61.03 3k1q h SER 83 Cb 0.49 -0.22 -0.04 0.00 -0.44 0.00 0.00 62.40 62.19 3k1q h SER 83 CO -0.28 0.66 0.41 0.11 -0.53 0.00 0.00 176.83 177.19 3k1q h LYS 84 N 1.09 0.78 -0.46 2.24 1.79 -1.15 -2.76 116.57 118.10 3k1q h LYS 84 Ca 0.31 -0.05 0.06 0.00 -2.18 0.00 0.00 60.65 58.80 3k1q h LYS 84 Cb -0.08 -0.18 -0.05 0.00 -1.58 0.00 0.00 32.23 30.35 3k1q h LYS 84 CO -0.09 0.52 0.17 0.00 -1.08 0.00 0.00 179.45 178.97 3k1q h ALA 85 N 1.28 0.55 -0.42 3.86 0.00 -1.08 -1.82 119.26 121.63 3k1q h ALA 85 Ca 0.26 0.06 0.09 0.00 0.00 0.00 0.00 54.91 55.31 3k1q h ALA 85 Cb 0.01 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3k1q h ALA 85 CO -0.10 -0.22 0.29 1.25 0.00 0.00 0.00 179.25 180.47 3k1q h LEU 86 N 0.34 0.17 -0.90 0.00 5.85 -1.07 -2.68 115.31 117.01 3k1q h LEU 86 Ca 0.21 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.85 3k1q h LEU 86 Cb 0.21 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 3k1q h LEU 86 CO -0.21 0.10 -0.08 -0.26 -0.34 0.00 0.00 178.44 177.65 3k1q h PHE 87 N 0.19 0.78 -0.89 1.25 0.05 -1.12 -2.34 116.94 114.86 3k1q h PHE 87 Ca 0.19 -0.13 0.15 0.00 3.82 0.00 0.00 57.97 62.00 3k1q h PHE 87 Cb 0.52 -0.21 -0.15 0.00 2.00 0.00 0.00 35.95 38.11 3k1q h PHE 87 CO -0.00 0.78 -0.35 -0.44 -0.18 0.00 0.00 178.31 178.12 3k1q h ASP 88 N 0.66 -1.26 -0.67 2.17 3.32 -1.29 -1.53 116.42 117.82 3k1q h ASP 88 Ca 0.12 0.29 -0.04 0.00 0.02 0.00 0.00 57.03 57.42 3k1q h ASP 88 Cb 0.53 0.68 -0.03 0.00 0.22 0.00 0.00 39.33 40.73 3k1q h ASP 88 CO 0.03 -0.30 0.28 0.40 -1.72 0.00 0.00 179.24 177.94 3k1q h ILE 89 N -0.04 1.24 -0.33 0.35 1.08 -1.52 -2.35 117.51 115.94 3k1q h ILE 89 Ca 0.34 -0.74 0.06 0.00 -0.39 0.00 0.00 64.86 64.13 3k1q h ILE 89 Cb 0.60 0.40 -0.02 0.00 -3.07 0.00 0.00 36.82 34.74 3k1q h ILE 89 CO -0.91 0.30 0.23 0.78 -0.69 0.00 0.00 178.15 177.86 3k1q h ASN 90 N 1.01 0.14 -0.03 1.72 -0.26 -1.15 0.07 115.58 117.07 3k1q h ASN 90 Ca 0.23 0.00 0.01 0.00 -0.56 0.00 0.00 56.30 55.98 3k1q h ASN 90 Cb 0.19 -0.03 -0.00 0.00 -1.06 0.00 0.00 38.32 37.42 3k1q h ASN 90 CO -0.02 0.09 0.04 0.24 -1.06 0.00 0.00 177.43 176.72 3k1q h MET 91 N 0.16 0.00 -0.31 0.81 2.86 -0.72 -1.00 114.93 116.74 3k1q h MET 91 Ca 0.15 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 3k1q h MET 91 Cb 0.39 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.05 3k1q h MET 91 CO -0.02 0.00 0.00 0.91 1.06 0.00 0.00 176.91 178.86 3k1q n TRP 92 N -3.84 0.92 -0.25 -0.22 8.01 0.00 -4.77 117.44 117.29 3k1q n TRP 92 Ca -0.02 -0.78 0.05 0.00 -1.31 0.00 0.00 57.50 55.44 3k1q n TRP 92 Cb 0.12 -0.26 0.16 0.00 -2.01 0.00 0.00 31.31 29.32 3k1q n TRP 92 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 177.69 177.05 3k1q h GLN 93 N 2.04 0.13 -0.33 -0.99 4.15 -1.05 0.65 115.11 119.72 3k1q h GLN 93 Ca 0.00 -0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.45 3k1q h GLN 93 Cb 1.32 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.96 3k1q h GLN 93 CO 0.19 0.09 0.22 -1.00 -1.93 0.00 0.00 178.83 176.40 3k1q h PRO 94 N 0.14 0.29 0.04 -2.39 0.13 -1.89 -0.07 132.00 128.25 3k1q h PRO 94 Ca 0.40 -0.02 -0.10 0.00 -0.87 0.00 0.00 66.00 65.42 3k1q h PRO 94 Cb 0.71 -0.06 0.01 0.00 0.13 0.00 0.00 31.00 31.78 3k1q h PRO 94 CO -0.62 0.19 -0.41 1.25 -0.23 0.00 0.00 178.00 178.18 3k1q h LEU 95 N 0.30 0.29 -0.56 1.56 5.85 -1.33 -1.13 115.31 120.30 3k1q h LEU 95 Ca 0.14 -0.88 0.11 0.00 0.84 0.00 0.00 57.88 58.09 3k1q h LEU 95 Cb 0.18 -0.09 -0.11 0.00 0.37 0.00 0.00 40.66 41.01 3k1q h LEU 95 CO -0.03 1.14 -0.14 -0.26 -0.34 0.00 0.00 178.44 178.80 3k1q h PHE 96 N -0.52 -0.31 -0.72 1.25 -1.00 -0.66 -0.19 116.94 114.79 3k1q h PHE 96 Ca -0.06 0.05 0.07 0.00 2.81 0.00 0.00 57.97 60.84 3k1q h PHE 96 Cb 1.24 0.22 -0.06 0.00 3.61 0.00 0.00 35.95 40.96 3k1q h PHE 96 CO 0.20 -0.24 0.40 1.96 -1.61 0.00 0.00 178.31 179.02 3k1q h GLN 97 N -0.00 0.69 -0.23 1.51 4.20 -0.90 -2.47 115.11 117.91 3k1q h GLN 97 Ca 0.27 -0.04 -0.10 0.00 0.06 0.00 0.00 58.65 58.84 3k1q h GLN 97 Cb 0.41 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 3k1q h GLN 97 CO -0.58 0.46 -0.29 0.00 -0.67 0.00 0.00 178.83 177.75 3k1q h ALA 98 N 1.39 1.07 0.00 3.87 0.00 -0.26 0.26 119.26 125.59 3k1q h ALA 98 Ca 0.33 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3k1q h ALA 98 Cb 0.25 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3k1q h ALA 98 CO -0.21 0.57 0.00 0.25 0.00 0.00 0.00 179.25 179.86 3k1q n THR 99 N -4.10 0.10 -2.69 0.00 -2.24 -0.17 -4.94 114.28 100.24 3k1q n THR 99 Ca -0.01 0.03 -0.10 0.00 -2.27 0.00 0.00 64.05 61.69 3k1q n THR 99 Cb 0.43 -0.66 -0.01 0.00 -2.10 0.00 0.00 70.33 67.99 3k1q n THR 99 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3k1q n LYS 100 N -1.10 -2.64 -1.87 -0.78 4.01 0.90 -4.89 118.16 111.80 3k1q n LYS 100 Ca 0.15 0.33 -0.38 0.00 -0.51 0.00 0.00 58.31 57.90 3k1q n LYS 100 Cb 0.11 -4.90 0.03 0.00 -0.51 0.00 0.00 35.03 29.76 3k1q n LYS 100 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 3k1q n THR 101 N -3.15 3.60 -2.38 -0.18 -2.24 -1.01 -4.75 114.28 104.16 3k1q n THR 101 Ca -0.06 -4.14 -0.20 0.00 -2.27 0.00 0.00 64.05 57.38 3k1q n THR 101 Cb 0.55 -1.29 -0.01 0.00 -2.10 0.00 0.00 70.33 67.48 3k1q n THR 101 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3k1q n GLY 102 N -0.34 -0.44 0.52 3.38 0.00 -1.26 -4.88 105.19 102.18 3k1q n GLY 102 Ca 0.53 0.00 0.38 0.00 0.00 0.00 0.00 46.02 46.93 3k1q n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k1q n GLY 104 N -1.64 -0.43 3.44 0.00 0.00 -1.26 -4.71 105.19 100.59 3k1q n GLY 104 Ca 0.35 0.94 -0.47 0.00 0.00 0.00 0.00 46.02 46.85 3k1q n GLY 104 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3k1q n PRO 105 N 7.26 0.48 -0.17 1.61 -0.04 -1.26 -4.82 135.00 138.06 3k1q n PRO 105 Ca 0.58 0.08 0.08 0.00 -0.04 0.00 0.00 63.50 64.20 3k1q n PRO 105 Cb 0.03 -2.10 0.15 0.00 -0.04 0.00 0.00 33.50 31.55 3k1q n PRO 105 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 3k1q n ILE 106 N 7.30 -0.21 -3.17 0.52 5.41 -1.26 -4.90 119.36 123.05 3k1q n ILE 106 Ca 0.52 1.10 -0.08 0.00 1.00 0.00 0.00 62.75 65.29 3k1q n ILE 106 Cb 0.16 -1.61 0.00 0.00 -0.71 0.00 0.00 39.64 37.48 3k1q n ILE 106 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 176.55 177.88 3k1q n VAL 107 N -4.57 -8.87 -0.37 1.39 0.24 -1.26 -4.83 118.33 100.05 3k1q n VAL 107 Ca 0.12 0.04 0.34 0.00 -2.04 0.00 0.00 64.34 62.80 3k1q n VAL 107 Cb 0.39 -6.15 0.61 0.00 -1.47 0.00 0.00 33.84 27.22 3k1q n VAL 107 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 3k1q h LEU 108 N 0.74 0.30 -1.64 1.34 5.85 -1.98 0.84 115.31 120.76 3k1q h LEU 108 Ca -0.14 0.22 0.31 0.00 0.84 0.00 0.00 57.88 59.11 3k1q h LEU 108 Cb 1.09 0.22 -0.08 0.00 0.37 0.00 0.00 40.66 42.26 3k1q h LEU 108 CO 0.29 -0.34 0.76 0.77 -0.34 0.00 0.00 178.44 179.58 3k1q h SER 109 N 0.04 0.24 0.29 1.25 4.64 -1.93 0.20 113.55 118.27 3k1q h SER 109 Ca 0.85 0.05 -0.08 0.00 -0.47 0.00 0.00 61.79 62.14 3k1q h SER 109 Cb 2.39 0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 64.49 3k1q h SER 109 CO -0.64 0.03 -0.34 0.28 -0.87 0.00 0.00 176.83 175.29 3k1q h SER 110 N 0.20 0.07 0.12 4.97 0.02 -1.14 -3.04 113.55 114.74 3k1q h SER 110 Ca 0.60 -0.02 -0.22 0.00 -0.84 0.00 0.00 61.79 61.31 3k1q h SER 110 Cb 1.93 -0.02 0.01 0.00 0.14 0.00 0.00 62.40 64.45 3k1q h SER 110 CO -0.18 0.40 -0.87 -0.26 -1.14 0.00 0.00 176.83 174.78 3k1q h PHE 111 N 0.06 0.81 -0.18 3.45 -1.00 -0.77 -3.39 116.94 115.92 3k1q h PHE 111 Ca 0.01 -0.40 -0.15 0.00 2.81 0.00 0.00 57.97 60.24 3k1q h PHE 111 Cb 0.63 -0.11 -0.00 0.00 3.61 0.00 0.00 35.95 40.08 3k1q h PHE 111 CO 0.00 1.21 0.46 0.25 -1.61 0.00 0.00 178.31 178.63 3k1q n THR 112 N -3.84 0.61 -3.90 -1.55 -2.24 -1.15 -4.58 114.28 97.64 3k1q n THR 112 Ca -0.07 -0.63 -0.28 0.00 -2.27 0.00 0.00 64.05 60.80 3k1q n THR 112 Cb 0.79 -2.06 -0.03 0.00 -2.10 0.00 0.00 70.33 66.93 3k1q n THR 112 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3k1q s THR 113 N 14.67 5.32 0.18 4.28 -4.23 -0.16 -4.79 115.64 130.91 3k1q s THR 113 Ca 0.77 -0.54 -0.31 0.00 -1.18 0.00 0.00 61.69 60.42 3k1q s THR 113 Cb -0.02 -3.71 -0.10 0.00 1.34 0.00 0.00 72.50 70.01 3k1q s THR 113 CO 0.18 -0.03 1.57 0.42 -0.54 0.00 0.00 174.62 176.22 3k1q s THR 114 N -1.69 2.55 -0.10 3.99 -4.23 -1.25 -0.45 115.64 114.45 3k1q s THR 114 Ca 0.35 0.40 0.03 0.00 -1.18 0.00 0.00 61.69 61.30 3k1q s THR 114 Cb -0.12 -3.26 -0.00 0.00 1.34 0.00 0.00 72.50 70.47 3k1q s THR 114 CO 0.28 0.03 -0.22 0.28 -0.54 0.00 0.00 174.62 174.45 3k1q s THR 115 N 1.03 2.21 -0.14 3.99 -1.32 -0.32 -4.73 115.64 116.36 3k1q s THR 115 Ca 0.70 -0.97 -0.04 0.00 -1.21 0.00 0.00 61.69 60.17 3k1q s THR 115 Cb -0.44 -1.86 0.05 0.00 -1.51 0.00 0.00 72.50 68.74 3k1q s THR 115 CO 0.33 0.55 0.07 -0.55 -2.21 0.00 0.00 174.62 172.81 3k1q s SER 116 N 0.33 2.10 0.00 8.08 0.15 -1.26 -1.34 113.70 121.75 3k1q s SER 116 Ca -0.18 -0.44 0.00 0.00 0.70 0.00 0.00 55.95 56.03 3k1q s SER 116 Cb -0.18 -0.29 0.00 0.00 -1.71 0.00 0.00 66.02 63.85 3k1q s SER 116 CO 0.08 -0.31 0.00 0.61 1.20 0.00 0.00 173.24 174.83 3k1q n GLY 117 N 5.24 -0.43 3.80 9.45 0.00 -1.21 -4.82 105.19 117.22 3k1q n GLY 117 Ca -0.06 -0.36 -0.38 0.00 0.00 0.00 0.00 46.02 45.21 3k1q n GLY 117 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3k1q s TYR 118 N -2.15 3.74 -0.34 1.61 1.51 0.07 0.12 117.35 121.92 3k1q s TYR 118 Ca 0.00 1.16 -0.05 0.00 -1.01 0.00 0.00 57.07 57.17 3k1q s TYR 118 Cb 0.00 -2.47 0.05 0.00 -0.11 0.00 0.00 41.96 39.43 3k1q s TYR 118 CO 0.00 0.52 0.09 0.08 -1.11 0.00 0.00 175.55 175.13 3k1q s VAL 119 N -0.79 3.59 -0.18 0.71 1.01 0.60 -0.27 120.40 125.09 3k1q s VAL 119 Ca 0.28 -1.24 -0.31 0.00 0.00 0.00 0.00 61.98 60.72 3k1q s VAL 119 Cb -0.18 -3.06 0.14 0.00 0.00 0.00 0.00 36.38 33.28 3k1q s VAL 119 CO 0.17 -0.19 1.11 -0.83 0.00 0.00 0.00 175.10 175.35 3k1q s GLY 120 N 1.41 -0.21 0.16 4.51 0.00 -0.77 -4.28 107.32 108.14 3k1q s GLY 120 Ca -0.02 2.03 -0.23 0.00 0.00 0.00 0.00 44.72 46.50 3k1q s GLY 120 CO 0.02 0.88 1.61 0.00 0.00 0.00 0.00 173.10 175.60 3k1q h ALA 121 N 2.28 -0.15 -3.10 3.20 0.00 -1.89 -2.54 119.26 117.05 3k1q h ALA 121 Ca -0.15 0.10 -0.63 0.00 0.00 0.00 0.00 54.91 54.23 3k1q h ALA 121 Cb 1.18 0.65 -0.14 0.00 0.00 0.00 0.00 17.79 19.48 3k1q h ALA 121 CO 0.27 -0.70 -0.72 0.95 0.00 0.00 0.00 179.25 179.05 3k1q s THR 122 N -6.02 3.24 0.20 0.00 -4.23 -1.26 -4.75 115.64 102.81 3k1q s THR 122 Ca -0.15 -1.58 -0.21 0.00 -1.18 0.00 0.00 61.69 58.58 3k1q s THR 122 Cb 0.13 -2.59 0.14 0.00 1.34 0.00 0.00 72.50 71.52 3k1q s THR 122 CO 0.68 -0.07 1.57 0.00 -0.54 0.00 0.00 174.62 176.26 3k1q h ALA 123 N 3.03 -0.04 0.00 3.99 0.00 -1.92 0.24 119.26 124.56 3k1q h ALA 123 Ca -0.47 0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3k1q h ALA 123 Cb 1.20 0.89 0.00 0.00 0.00 0.00 0.00 17.79 19.88 3k1q h ALA 123 CO 0.54 -0.69 0.00 0.41 0.00 0.00 0.00 179.25 179.51 3k1q n GLY 124 N -1.44 0.00 0.36 0.00 0.00 -1.26 -0.45 105.19 102.41 3k1q n GLY 124 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3k1q n GLY 124 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3k1q h ASP 125 N 0.00 0.94 0.32 1.61 3.04 -1.83 -3.07 116.42 117.43 3k1q h ASP 125 Ca 0.00 -0.02 -0.06 0.00 -3.24 0.00 0.00 57.03 53.71 3k1q h ASP 125 Cb 0.00 -0.23 -0.01 0.00 -1.04 0.00 0.00 39.33 38.05 3k1q h ASP 125 CO 0.00 0.68 -0.28 0.00 -2.04 0.00 0.00 179.24 177.60 3k1q h ALA 126 N 1.49 1.48 -1.00 4.15 0.00 0.56 -2.41 119.26 123.52 3k1q h ALA 126 Ca 0.31 -0.26 0.20 0.00 0.00 0.00 0.00 54.91 55.16 3k1q h ALA 126 Cb -0.11 -0.05 -0.10 0.00 0.00 0.00 0.00 17.79 17.53 3k1q h ALA 126 CO -0.07 0.35 0.62 -0.07 0.00 0.00 0.00 179.25 180.08 3k1q h LEU 127 N 0.00 0.69 -0.77 0.00 3.38 -0.65 -1.77 115.31 116.19 3k1q h LEU 127 Ca -0.00 0.09 -0.08 0.00 0.09 0.00 0.00 57.88 57.98 3k1q h LEU 127 Cb 0.52 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 3k1q h LEU 127 CO 0.04 0.23 -0.38 0.44 0.09 0.00 0.00 178.44 178.86 3k1q h ASP 128 N 0.67 0.00 -3.82 -0.43 5.19 -1.60 -3.44 116.42 112.98 3k1q h ASP 128 Ca 0.57 0.00 -0.67 0.00 -0.62 0.00 0.00 57.03 56.31 3k1q h ASP 128 Cb 1.03 0.00 -0.37 0.00 0.18 0.00 0.00 39.33 40.17 3k1q h ASP 128 CO -0.36 0.38 -0.80 0.21 -3.12 0.00 0.00 179.24 175.55 3k1q s ASN 129 N -6.40 4.37 -0.10 6.45 2.47 -0.67 -5.10 114.94 115.96 3k1q s ASN 129 Ca 0.01 -1.36 0.01 0.00 0.42 0.00 0.00 52.86 51.94 3k1q s ASN 129 Cb 0.10 -1.54 -0.02 0.00 -1.45 0.00 0.00 41.25 38.34 3k1q s ASN 129 CO 0.69 -0.18 -0.12 -2.16 -3.72 0.00 0.00 177.10 171.61 3k1q s PRO 130 N 1.12 3.08 -0.39 0.43 0.04 -1.26 -0.29 135.00 137.73 3k1q s PRO 130 Ca -0.08 -0.66 0.04 0.00 0.04 0.00 0.00 61.00 60.34 3k1q s PRO 130 Cb -0.20 -2.58 0.11 0.00 0.04 0.00 0.00 34.50 31.88 3k1q s PRO 130 CO -0.05 0.39 0.11 0.08 0.04 0.00 0.00 177.00 177.56 3k1q s VAL 131 N -0.09 2.27 0.09 -0.36 1.01 0.32 -4.90 120.40 118.74 3k1q s VAL 131 Ca -0.01 -2.56 -0.30 0.00 0.00 0.00 0.00 61.98 59.10 3k1q s VAL 131 Cb -0.14 -2.65 -0.06 0.00 0.00 0.00 0.00 36.38 33.53 3k1q s VAL 131 CO 0.03 -0.66 1.12 0.42 0.00 0.00 0.00 175.10 176.01 3k1q s THR 132 N 0.61 4.13 -1.01 3.92 -4.23 -1.26 -3.31 115.64 114.50 3k1q s THR 132 Ca 0.13 1.64 -0.16 0.00 -1.18 0.00 0.00 61.69 62.12 3k1q s THR 132 Cb -0.21 -4.05 0.01 0.00 1.34 0.00 0.00 72.50 69.60 3k1q s THR 132 CO -0.07 0.19 0.68 -3.20 -0.54 0.00 0.00 174.62 171.68 3k1q n ASN 133 N 3.33 -5.04 -0.01 3.99 5.15 -1.24 -4.95 115.26 116.48 3k1q n ASN 133 Ca 0.06 -1.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.04 3k1q n ASN 133 Cb 0.47 -2.41 0.00 0.00 -0.53 0.00 0.00 39.78 37.31 3k1q n ASN 133 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3k1q n GLY 134 N -1.81 1.88 3.09 8.20 0.00 -0.45 -4.87 105.19 111.24 3k1q n GLY 134 Ca -0.17 -1.76 -0.13 0.00 0.00 0.00 0.00 46.02 43.96 3k1q n GLY 134 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3k1q s VAL 135 N 4.56 0.00 0.36 1.61 -7.23 -1.26 -1.18 120.40 117.27 3k1q s VAL 135 Ca 0.00 -0.04 0.09 0.00 -1.81 0.00 0.00 61.98 60.22 3k1q s VAL 135 Cb 0.00 -0.30 -0.06 0.00 0.56 0.00 0.00 36.38 36.58 3k1q s VAL 135 CO 0.00 -0.02 0.01 0.72 -0.31 0.00 0.00 175.10 175.50 3k1q s PHE 136 N 0.02 2.52 0.01 2.82 -0.12 0.40 -0.62 117.98 123.01 3k1q s PHE 136 Ca -0.01 -0.51 0.01 0.00 -0.05 0.00 0.00 56.93 56.37 3k1q s PHE 136 Cb -0.02 -1.58 -0.01 0.00 -0.63 0.00 0.00 43.02 40.78 3k1q s PHE 136 CO 0.00 0.46 -0.05 -1.50 -0.05 0.00 0.00 175.22 174.08 3k1q s ILE 137 N -2.59 0.38 0.07 -4.49 2.07 -1.26 -0.99 121.20 114.40 3k1q s ILE 137 Ca 0.35 -0.38 -0.16 0.00 -1.41 0.00 0.00 60.65 59.05 3k1q s ILE 137 Cb 0.03 -0.36 -0.06 0.00 0.13 0.00 0.00 42.46 42.20 3k1q s ILE 137 CO 0.19 -0.01 0.50 -0.55 -1.91 0.00 0.00 174.94 173.16 3k1q s SER 138 N -0.43 6.89 0.22 4.50 0.15 -1.26 -4.41 113.70 119.36 3k1q s SER 138 Ca -0.01 1.09 -0.19 0.00 0.70 0.00 0.00 55.95 57.54 3k1q s SER 138 Cb -0.04 -2.29 0.21 0.00 -1.71 0.00 0.00 66.02 62.19 3k1q s SER 138 CO -0.00 0.23 1.56 0.71 1.20 0.00 0.00 173.24 176.94 3k1q h THR 139 N 3.32 0.03 -0.06 6.45 1.35 -1.90 0.57 112.91 122.67 3k1q h THR 139 Ca -0.50 0.00 0.04 0.00 -0.55 0.00 0.00 66.41 65.40 3k1q h THR 139 Cb 1.21 0.03 -0.06 0.00 -1.73 0.00 0.00 68.15 67.60 3k1q h THR 139 CO 0.64 0.00 -0.39 0.58 -0.25 0.00 0.00 175.52 176.10 3k1q h VAL 140 N -0.03 0.19 -0.07 6.82 2.07 -1.93 0.73 116.25 124.02 3k1q h VAL 140 Ca 0.32 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.86 3k1q h VAL 140 Cb 0.58 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 3k1q h VAL 140 CO -0.93 0.00 -0.06 1.56 0.02 0.00 0.00 177.57 178.16 3k1q h GLN 141 N -0.51 -0.08 -0.88 1.57 4.20 -1.67 -1.69 115.11 116.05 3k1q h GLN 141 Ca 0.07 0.01 0.08 0.00 0.06 0.00 0.00 58.65 58.86 3k1q h GLN 141 Cb 0.62 0.02 -0.06 0.00 0.30 0.00 0.00 27.48 28.35 3k1q h GLN 141 CO -0.34 -0.05 0.57 -0.84 -0.67 0.00 0.00 178.83 177.50 3k1q h ILE 142 N -0.08 1.01 -0.31 2.54 3.07 0.16 0.41 117.51 124.32 3k1q h ILE 142 Ca 0.05 -0.32 0.05 0.00 1.55 0.00 0.00 64.86 66.20 3k1q h ILE 142 Cb 0.15 0.00 -0.08 0.00 -0.27 0.00 0.00 36.82 36.63 3k1q h ILE 142 CO -0.12 0.17 -0.49 -0.03 -1.05 0.00 0.00 178.15 176.63 3k1q h MET 143 N 0.93 -0.41 -0.30 0.16 4.05 -0.32 0.14 114.93 119.17 3k1q h MET 143 Ca 0.39 0.03 -0.15 0.00 -0.28 0.00 0.00 59.70 59.69 3k1q h MET 143 Cb 0.31 0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 31.19 3k1q h MET 143 CO -0.16 -0.27 -0.42 -0.91 0.23 0.00 0.00 176.91 175.38 3k1q h ASN 144 N -0.43 0.81 0.36 1.39 4.21 -0.28 -0.94 115.58 120.71 3k1q h ASN 144 Ca 0.09 -0.38 -0.00 0.00 1.21 0.00 0.00 56.30 57.22 3k1q h ASN 144 Cb 0.62 -0.23 -0.03 0.00 -1.12 0.00 0.00 38.32 37.56 3k1q h ASN 144 CO -0.53 1.13 -0.46 0.25 -1.29 0.00 0.00 177.43 176.53 3k1q h LEU 145 N 0.61 -1.28 -0.55 1.61 5.85 -0.84 -1.98 115.31 118.74 3k1q h LEU 145 Ca 0.04 0.11 0.11 0.00 0.84 0.00 0.00 57.88 58.99 3k1q h LEU 145 Cb 0.98 0.44 -0.10 0.00 0.37 0.00 0.00 40.66 42.35 3k1q h LEU 145 CO 0.09 -0.59 -0.06 1.56 -0.34 0.00 0.00 178.44 179.10 3k1q h GLN 146 N -0.86 0.06 -0.65 1.25 4.20 -0.41 -1.45 115.11 117.25 3k1q h GLN 146 Ca -0.03 -0.00 0.12 0.00 0.06 0.00 0.00 58.65 58.79 3k1q h GLN 146 Cb 0.78 -0.01 -0.12 0.00 0.30 0.00 0.00 27.48 28.43 3k1q h GLN 146 CO -0.12 0.04 -0.29 -0.09 -0.67 0.00 0.00 178.83 177.70 3k1q h ARG 147 N 0.06 -0.11 0.11 1.46 2.43 -1.02 0.11 114.38 117.43 3k1q h ARG 147 Ca 0.27 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.47 3k1q h ARG 147 Cb 0.43 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.97 3k1q h ARG 147 CO -0.51 -0.07 -0.21 1.79 -1.51 0.00 0.00 179.97 179.46 3k1q h THR 148 N -0.11 0.52 -0.75 0.20 1.35 -0.61 -1.83 112.91 111.68 3k1q h THR 148 Ca 0.27 0.00 0.06 0.00 -0.55 0.00 0.00 66.41 66.19 3k1q h THR 148 Cb 0.55 0.52 -0.06 0.00 -1.73 0.00 0.00 68.15 67.43 3k1q h THR 148 CO -0.71 0.00 0.44 0.40 -0.25 0.00 0.00 175.52 175.40 3k1q h ILE 149 N -0.40 1.00 -0.90 6.82 2.04 -1.01 0.04 117.51 125.11 3k1q h ILE 149 Ca 0.03 -0.28 -0.01 0.00 1.00 0.00 0.00 64.86 65.60 3k1q h ILE 149 Cb 0.42 0.12 -0.04 0.00 -0.74 0.00 0.00 36.82 36.58 3k1q h ILE 149 CO -0.12 0.15 0.53 0.00 0.00 0.00 0.00 178.15 178.71 3k1q h ALA 150 N 1.37 1.24 -0.44 1.87 0.00 -0.86 -1.46 119.26 120.99 3k1q h ALA 150 Ca 0.33 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 55.00 3k1q h ALA 150 Cb 0.18 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3k1q h ALA 150 CO -0.18 0.64 -0.25 0.00 0.00 0.00 0.00 179.25 179.46 3k1q h ALA 151 N 1.34 0.72 -0.05 0.00 0.00 -0.59 0.30 119.26 120.99 3k1q h ALA 151 Ca 0.32 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3k1q h ALA 151 Cb -0.04 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 3k1q h ALA 151 CO -0.06 0.67 0.03 0.00 0.00 0.00 0.00 179.25 179.89 3k1q h ARG 152 N 0.79 0.06 -0.18 0.00 3.08 -0.47 0.63 114.38 118.29 3k1q h ARG 152 Ca 0.10 -0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.17 3k1q h ARG 152 Cb 0.82 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.83 3k1q h ARG 152 CO 0.07 0.05 0.02 0.52 -1.07 0.00 0.00 179.97 179.56 3k1q h MET 153 N 0.06 0.08 0.00 0.04 2.86 -0.49 -1.76 114.93 115.73 3k1q h MET 153 Ca 0.02 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 3k1q h MET 153 Cb -0.00 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.64 3k1q h MET 153 CO -0.00 0.06 0.00 0.54 1.06 0.00 0.00 176.91 178.56 3k1q n ARG 154 N -5.11 0.09 0.13 1.72 1.74 0.99 -1.99 116.66 114.23 3k1q n ARG 154 Ca -0.03 0.30 0.01 0.00 -0.77 0.00 0.00 57.85 57.36 3k1q n ARG 154 Cb 0.09 -1.66 0.07 0.00 -1.02 0.00 0.00 32.46 29.94 3k1q n ARG 154 CO 0.00 0.00 0.00 0.22 -1.52 0.00 0.00 177.63 176.33 3k1q h ASP 155 N 0.00 0.00 0.66 0.55 3.58 -0.05 -3.23 116.42 117.93 3k1q h ASP 155 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 3k1q h ASP 155 Cb 0.34 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.39 3k1q h ASP 155 CO 0.00 0.61 -0.58 0.55 -2.88 0.00 0.00 179.24 176.94 3k1q n VAL 156 N -3.36 0.16 0.03 2.25 3.14 -0.77 -4.42 118.33 115.36 3k1q n VAL 156 Ca 0.01 -0.13 0.21 0.00 -2.96 0.00 0.00 64.34 61.46 3k1q n VAL 156 Cb 0.73 0.06 0.72 0.00 -1.06 0.00 0.00 33.84 34.30 3k1q n VAL 156 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3k1q h ALA 157 N 2.76 2.36 0.10 1.55 0.00 -1.42 0.85 119.26 125.47 3k1q h ALA 157 Ca 0.00 -0.02 -0.27 0.00 0.00 0.00 0.00 54.91 54.62 3k1q h ALA 157 Cb 0.62 0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.46 3k1q h ALA 157 CO 0.00 -0.67 -1.18 -0.07 0.00 0.00 0.00 179.25 177.34 3k1q h LEU 158 N 0.00 0.55 -0.03 0.00 3.38 -1.82 -3.17 115.31 114.21 3k1q h LEU 158 Ca 0.24 -0.53 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 3k1q h LEU 158 Cb 1.05 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.63 3k1q h LEU 158 CO -0.00 1.38 -0.02 -0.50 0.09 0.00 0.00 178.44 179.39 3k1q h TRP 159 N 0.15 0.07 -0.42 1.13 4.06 0.32 -1.80 115.95 119.45 3k1q h TRP 159 Ca -0.14 -0.02 0.09 0.00 2.06 0.00 0.00 58.89 60.88 3k1q h TRP 159 Cb 1.87 -0.02 -0.09 0.00 -1.00 0.00 0.00 29.16 29.93 3k1q h TRP 159 CO 0.07 0.48 -0.18 1.96 -3.56 0.00 0.00 178.44 177.22 3k1q h GLN 160 N -0.36 -0.09 -0.02 0.49 4.20 -0.89 0.20 115.11 118.64 3k1q h GLN 160 Ca 0.01 0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.75 3k1q h GLN 160 Cb 0.47 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.22 3k1q h GLN 160 CO 0.00 -0.06 -0.24 -0.22 -0.67 0.00 0.00 178.83 177.65 3k1q h LYS 161 N -0.09 -0.35 -0.37 1.46 3.11 -1.48 -0.72 116.57 118.13 3k1q h LYS 161 Ca 0.21 0.02 0.04 0.00 -2.81 0.00 0.00 60.65 58.11 3k1q h LYS 161 Cb 0.41 0.08 -0.04 0.00 -1.00 0.00 0.00 32.23 31.68 3k1q h LYS 161 CO -0.49 -0.23 0.15 0.45 -2.81 0.00 0.00 179.45 176.52 3k1q h HIS 162 N -0.37 0.27 -0.47 1.91 3.86 -0.20 -0.50 115.15 119.65 3k1q h HIS 162 Ca 0.07 0.02 0.09 0.00 -1.16 0.00 0.00 60.37 59.38 3k1q h HIS 162 Cb 0.46 -0.07 -0.08 0.00 1.06 0.00 0.00 27.41 28.78 3k1q h HIS 162 CO -0.29 0.13 -0.00 1.25 0.86 0.00 0.00 177.93 179.87 3k1q h LEU 163 N 0.32 -0.21 -0.95 2.43 5.85 0.13 -2.03 115.31 120.85 3k1q h LEU 163 Ca 0.16 0.11 0.16 0.00 0.84 0.00 0.00 57.88 59.16 3k1q h LEU 163 Cb 0.11 0.20 -0.10 0.00 0.37 0.00 0.00 40.66 41.25 3k1q h LEU 163 CO -0.15 -0.07 0.55 0.44 -0.34 0.00 0.00 178.44 178.87 3k1q h ASP 164 N 0.11 0.71 -0.35 1.25 3.32 -0.86 -2.68 116.42 117.91 3k1q h ASP 164 Ca 0.24 0.09 -0.02 0.00 0.02 0.00 0.00 57.03 57.36 3k1q h ASP 164 Cb 0.35 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 3k1q h ASP 164 CO -0.40 0.28 0.14 0.71 -1.72 0.00 0.00 179.24 178.26 3k1q h THR 165 N 0.74 1.19 -0.26 0.35 1.35 -0.34 0.36 112.91 116.30 3k1q h THR 165 Ca 0.53 -0.58 0.06 0.00 -0.55 0.00 0.00 66.41 65.87 3k1q h THR 165 Cb 0.75 0.91 -0.08 0.00 -1.73 0.00 0.00 68.15 68.01 3k1q h THR 165 CO -0.36 0.21 -0.30 0.00 -0.25 0.00 0.00 175.52 174.81 3k1q h ALA 166 N 0.99 -0.24 0.00 6.62 0.00 -1.35 0.41 119.26 125.69 3k1q h ALA 166 Ca 0.12 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 3k1q h ALA 166 Cb 0.19 0.62 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 3k1q h ALA 166 CO -0.01 -0.74 -0.01 0.52 0.00 0.00 0.00 179.25 179.01 3k1q h MET 167 N -0.30 0.00 0.00 0.00 2.07 -1.11 -2.91 114.93 112.68 3k1q h MET 167 Ca 0.14 0.00 -0.37 0.00 -2.07 0.00 0.00 59.70 57.39 3k1q h MET 167 Cb 0.52 0.00 -0.07 0.00 -1.87 0.00 0.00 31.60 30.18 3k1q h MET 167 CO -0.43 0.01 -2.40 0.25 1.07 0.00 0.00 176.91 175.41 3k1q n THR 168 N -3.23 1.44 0.33 2.22 -2.24 0.07 -3.53 114.28 109.34 3k1q n THR 168 Ca -0.02 -0.75 0.16 0.00 -2.27 0.00 0.00 64.05 61.17 3k1q n THR 168 Cb 0.13 -0.84 0.86 0.00 -2.10 0.00 0.00 70.33 68.39 3k1q n THR 168 CO 0.00 0.00 0.00 -0.03 -0.57 0.00 0.00 175.07 174.47 3k1q h MET 169 N 0.00 0.00 -1.52 -0.78 -1.53 0.02 -0.39 114.93 110.74 3k1q h MET 169 Ca -0.55 0.00 -0.43 0.00 -3.44 0.00 0.00 59.70 55.28 3k1q h MET 169 Cb 2.12 0.00 -0.30 0.00 -0.55 0.00 0.00 31.60 32.87 3k1q h MET 169 CO -0.01 0.00 -0.85 1.28 0.14 0.00 0.00 176.91 177.47 3k1q n LEU 170 N -2.93 -1.22 -4.40 3.39 4.77 -1.21 -5.09 117.00 110.30 3k1q n LEU 170 Ca -0.02 -4.04 -0.49 0.00 -0.03 0.00 0.00 56.01 51.43 3k1q n LEU 170 Cb 0.35 0.68 -0.14 0.00 -2.33 0.00 0.00 43.42 41.98 3k1q n LEU 170 CO 0.14 1.98 2.02 1.07 -1.33 0.00 0.00 177.39 181.28 3k1q n THR 171 N 2.07 0.00 -0.00 -5.08 5.66 -0.16 -4.88 114.28 111.90 3k1q n THR 171 Ca 0.20 -0.01 0.00 0.00 -3.05 0.00 0.00 64.05 61.20 3k1q n THR 171 Cb 0.54 -0.53 0.00 0.00 -1.55 0.00 0.00 70.33 68.80 3k1q n THR 171 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 3k1q n PRO 172 N 8.09 0.46 -3.89 1.09 -0.04 -1.24 -4.84 135.00 134.63 3k1q n PRO 172 Ca 0.61 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.73 3k1q n PRO 172 Cb 0.01 -1.27 -0.13 0.00 -0.04 0.00 0.00 33.50 32.07 3k1q n PRO 172 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3k1q s ASP 173 N 1.67 5.02 -0.40 3.54 1.11 -1.26 -4.66 116.67 121.69 3k1q s ASP 173 Ca 0.00 -2.13 -0.01 0.00 0.18 0.00 0.00 52.55 50.60 3k1q s ASP 173 Cb 0.00 -1.74 0.11 0.00 1.07 0.00 0.00 42.92 42.36 3k1q s ASP 173 CO 0.00 -0.46 0.17 -0.63 1.18 0.00 0.00 175.17 175.43 3k1q s ILE 174 N 0.98 2.98 0.46 0.77 -1.09 -1.26 -4.93 121.20 119.12 3k1q s ILE 174 Ca 0.10 -2.23 0.41 0.00 -2.23 0.00 0.00 60.65 56.69 3k1q s ILE 174 Cb -0.21 -3.08 0.42 0.00 -1.58 0.00 0.00 42.46 38.01 3k1q s ILE 174 CO -0.06 -0.68 2.23 0.77 -1.23 0.00 0.00 174.94 175.98 3k1q h SER 175 N 7.81 0.00 -2.44 3.58 4.64 -1.92 -2.04 113.55 123.18 3k1q h SER 175 Ca -0.09 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.87 3k1q h SER 175 Cb 1.03 0.00 -0.36 0.00 -0.31 0.00 0.00 62.40 62.76 3k1q h SER 175 CO 0.65 0.00 -0.65 0.00 -0.87 0.00 0.00 176.83 175.95 3k1q s ALA 176 N -3.99 -0.20 0.00 5.18 0.00 -1.26 -4.72 121.76 116.78 3k1q s ALA 176 Ca -0.03 -0.14 0.00 0.00 0.00 0.00 0.00 51.96 51.79 3k1q s ALA 176 Cb 0.12 -1.49 0.00 0.00 0.00 0.00 0.00 23.12 21.74 3k1q s ALA 176 CO 0.43 -1.44 0.00 0.41 0.00 0.00 0.00 175.76 175.15 3k1q n GLY 177 N 5.31 1.63 3.64 0.00 0.00 -1.26 -4.82 105.19 109.67 3k1q n GLY 177 Ca -0.04 -0.72 -0.10 0.00 0.00 0.00 0.00 46.02 45.16 3k1q n GLY 177 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3k1q s SER 178 N -4.00 -0.74 0.12 1.61 1.04 -1.26 0.40 113.70 110.87 3k1q s SER 178 Ca 0.00 1.32 0.09 0.00 0.48 0.00 0.00 55.95 57.84 3k1q s SER 178 Cb 0.00 1.33 -0.04 0.00 0.10 0.00 0.00 66.02 67.41 3k1q s SER 178 CO 0.00 -0.22 -0.22 0.00 0.98 0.00 0.00 173.24 173.78 3k1q s ALA 179 N 0.83 2.01 -0.13 5.32 0.00 -0.22 -5.02 121.76 124.55 3k1q s ALA 179 Ca -0.03 -1.35 -0.11 0.00 0.00 0.00 0.00 51.96 50.46 3k1q s ALA 179 Cb -0.05 -0.28 0.04 0.00 0.00 0.00 0.00 23.12 22.83 3k1q s ALA 179 CO -0.08 0.40 0.35 0.45 0.00 0.00 0.00 175.76 176.87 3k1q s SER 180 N -2.08 -0.37 0.08 0.00 0.15 -1.26 -3.24 113.70 106.98 3k1q s SER 180 Ca 0.10 0.71 -0.22 0.00 0.70 0.00 0.00 55.95 57.24 3k1q s SER 180 Cb -0.09 0.70 0.06 0.00 -1.71 0.00 0.00 66.02 64.97 3k1q s SER 180 CO 0.05 -0.13 0.54 0.00 1.20 0.00 0.00 173.24 174.90 3k1q n ASN 182 N 0.15 2.15 -0.15 0.00 5.15 -1.26 -4.07 115.26 117.23 3k1q n ASN 182 Ca -0.18 0.33 -0.00 0.00 -0.60 0.00 0.00 54.58 54.13 3k1q n ASN 182 Cb 0.62 -1.29 0.25 0.00 -0.53 0.00 0.00 39.78 38.83 3k1q n ASN 182 CO 0.00 0.00 0.00 -0.25 1.40 0.00 0.00 177.26 178.41 3k1q h TRP 183 N 13.05 0.84 -0.15 1.20 -0.00 -1.90 -1.85 115.95 127.14 3k1q h TRP 183 Ca -0.27 -0.02 0.05 0.00 -0.00 0.00 0.00 58.89 58.65 3k1q h TRP 183 Cb 1.31 -0.27 -0.06 0.00 -0.00 0.00 0.00 29.16 30.13 3k1q h TRP 183 CO 0.96 0.60 -0.30 0.87 -0.00 0.00 0.00 178.44 180.57 3k1q h LYS 184 N 0.87 -0.35 -0.53 2.65 1.57 -1.82 0.82 116.57 119.77 3k1q h LYS 184 Ca 0.22 0.02 0.11 0.00 -1.87 0.00 0.00 60.65 59.13 3k1q h LYS 184 Cb 0.04 0.08 -0.10 0.00 0.08 0.00 0.00 32.23 32.33 3k1q h LYS 184 CO -0.03 -0.23 -0.17 0.77 -0.57 0.00 0.00 179.45 179.21 3k1q h SER 185 N -0.37 -0.61 0.76 0.86 0.02 -0.40 0.11 113.55 113.93 3k1q h SER 185 Ca 0.10 0.17 -0.04 0.00 -0.84 0.00 0.00 61.79 61.19 3k1q h SER 185 Cb 0.53 0.37 0.01 0.00 0.14 0.00 0.00 62.40 63.45 3k1q h SER 185 CO -0.36 -0.21 -0.37 -0.07 -1.14 0.00 0.00 176.83 174.68 3k1q h LEU 186 N -0.04 -0.89 -0.83 5.07 3.38 -0.41 -1.50 115.31 120.10 3k1q h LEU 186 Ca 0.25 0.03 0.17 0.00 0.09 0.00 0.00 57.88 58.43 3k1q h LEU 186 Cb 0.43 0.23 -0.11 0.00 0.09 0.00 0.00 40.66 41.31 3k1q h LEU 186 CO -0.57 -0.63 0.36 -0.07 0.09 0.00 0.00 178.44 177.62 3k1q h LEU 187 N -1.04 0.34 -0.18 1.67 3.38 0.70 0.90 115.31 121.08 3k1q h LEU 187 Ca -0.10 0.13 -0.23 0.00 0.09 0.00 0.00 57.88 57.76 3k1q h LEU 187 Cb 0.80 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.65 3k1q h LEU 187 CO 0.17 0.08 -0.93 0.00 0.09 0.00 0.00 178.44 177.85 3k1q h ALA 188 N 1.62 0.36 -0.60 1.53 0.00 -0.44 -0.85 119.26 120.87 3k1q h ALA 188 Ca 0.48 -0.69 -0.09 0.00 0.00 0.00 0.00 54.91 54.61 3k1q h ALA 188 Cb 0.80 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 3k1q h ALA 188 CO -0.45 0.79 0.04 0.35 0.00 0.00 0.00 179.25 179.98 3k1q h PHE 189 N 0.26 1.10 -0.43 0.00 -0.00 -0.39 -2.24 116.94 115.25 3k1q h PHE 189 Ca -0.08 -0.17 0.08 0.00 -0.00 0.00 0.00 57.97 57.80 3k1q h PHE 189 Cb 1.56 -0.30 -0.09 0.00 -0.00 0.00 0.00 35.95 37.12 3k1q h PHE 189 CO 0.06 0.96 -0.34 0.00 -0.00 0.00 0.00 178.31 179.00 3k1q h ALA 190 N 1.08 -0.19 0.00 2.41 0.00 -0.53 0.12 119.26 122.15 3k1q h ALA 190 Ca 0.18 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3k1q h ALA 190 Cb 0.50 0.74 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3k1q h ALA 190 CO 0.02 -0.73 0.00 1.63 0.00 0.00 0.00 179.25 180.17 3k1q n LYS 191 N -5.42 0.04 0.07 0.00 5.02 -0.35 0.11 118.16 117.63 3k1q n LYS 191 Ca 0.01 0.13 0.03 0.00 -2.02 0.00 0.00 58.31 56.46 3k1q n LYS 191 Cb 0.34 -1.56 -0.04 0.00 -0.02 0.00 0.00 35.03 33.75 3k1q n LYS 191 CO 0.00 0.00 0.00 0.22 -0.52 0.00 0.00 177.40 177.10 3k1q h ASP 192 N 0.00 0.00 0.00 4.39 3.58 -1.07 -3.37 116.42 119.94 3k1q h ASP 192 Ca 0.00 0.00 -0.28 0.00 0.42 0.00 0.00 57.03 57.17 3k1q h ASP 192 Cb 0.44 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.44 3k1q h ASP 192 CO 0.00 0.44 -2.07 -0.38 -2.88 0.00 0.00 179.24 174.35 3k1q n ILE 193 N -2.90 1.07 -1.76 2.25 2.08 0.38 -5.06 119.36 115.43 3k1q n ILE 193 Ca -0.06 -0.45 -0.40 0.00 0.56 0.00 0.00 62.75 62.40 3k1q n ILE 193 Cb 0.76 -1.08 0.01 0.00 -0.75 0.00 0.00 39.64 38.58 3k1q n ILE 193 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 3k1q n LEU 194 N -2.97 4.88 -4.71 1.39 4.77 0.30 -4.85 117.00 115.80 3k1q n LEU 194 Ca -0.32 1.14 -0.42 0.00 -0.03 0.00 0.00 56.01 56.38 3k1q n LEU 194 Cb 0.88 -1.59 -0.03 0.00 -2.33 0.00 0.00 43.42 40.34 3k1q n LEU 194 CO 0.21 -0.16 1.20 -2.84 -1.33 0.00 0.00 177.39 174.47 3k1q s PRO 195 N -2.33 4.24 0.31 3.23 0.02 -1.26 -4.89 135.00 134.31 3k1q s PRO 195 Ca 0.59 2.29 0.07 0.00 0.02 0.00 0.00 61.00 63.97 3k1q s PRO 195 Cb -0.46 -3.22 0.82 0.00 0.02 0.00 0.00 34.50 31.65 3k1q s PRO 195 CO 0.59 -0.58 1.70 -0.07 -0.33 0.00 0.00 177.00 178.31 3k1q h LEU 196 N 6.99 0.47 -0.56 -5.54 3.38 -1.96 -1.76 115.31 116.31 3k1q h LEU 196 Ca -0.42 0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.70 3k1q h LEU 196 Cb 1.20 0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.05 3k1q h LEU 196 CO 0.90 0.02 0.00 0.47 0.09 0.00 0.00 178.44 179.93 3k1q n ASP 197 N -4.99 0.28 -4.78 -0.43 8.00 -1.26 -4.77 116.55 108.61 3k1q n ASP 197 Ca 0.25 0.61 -0.41 0.00 0.71 0.00 0.00 54.79 55.95 3k1q n ASP 197 Cb 0.72 -0.65 0.01 0.00 -0.02 0.00 0.00 41.12 41.17 3k1q n ASP 197 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 3k1q s ASN 198 N -3.52 6.15 0.55 -2.24 -0.87 -0.66 -4.94 114.94 109.41 3k1q s ASN 198 Ca 0.01 3.04 0.26 0.00 -1.57 0.00 0.00 52.86 54.60 3k1q s ASN 198 Cb 0.05 -2.67 1.60 0.00 -0.02 0.00 0.00 41.25 40.21 3k1q s ASN 198 CO 0.17 -1.01 2.18 -0.07 -2.57 0.00 0.00 177.10 175.80 3k1q h LEU 199 N 2.74 0.00 -1.41 0.60 3.38 -1.89 -1.37 115.31 117.36 3k1q h LEU 199 Ca -0.51 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.48 3k1q h LEU 199 Cb 1.25 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.97 3k1q h LEU 199 CO 0.63 0.04 0.41 0.00 0.09 0.00 0.00 178.44 179.62 3k1q h LEU 201 N 0.80 0.00 0.01 0.00 4.07 -1.55 -1.99 115.31 116.65 3k1q h LEU 201 Ca 0.24 0.00 -0.21 0.00 0.08 0.00 0.00 57.88 57.98 3k1q h LEU 201 Cb -0.02 0.00 0.02 0.00 1.08 0.00 0.00 40.66 41.74 3k1q h LEU 201 CO -0.06 0.35 -0.84 0.71 -1.08 0.00 0.00 178.44 177.52 3k1q h THR 202 N 0.00 1.35 -1.14 0.22 1.35 -1.55 -3.38 112.91 109.77 3k1q h THR 202 Ca -0.00 -2.18 -0.63 0.00 -0.55 0.00 0.00 66.41 63.04 3k1q h THR 202 Cb 1.15 2.51 -0.36 0.00 -1.73 0.00 0.00 68.15 69.72 3k1q h THR 202 CO 0.05 0.66 0.08 -1.22 -0.25 0.00 0.00 175.52 174.83 3k1q n TYR 203 N -4.03 3.06 -0.09 4.73 0.53 0.29 -4.93 117.16 116.72 3k1q n TYR 203 Ca -0.11 -2.66 -0.07 0.00 -1.02 0.00 0.00 57.90 54.04 3k1q n TYR 203 Cb 0.79 -0.82 -0.01 0.00 -1.03 0.00 0.00 39.34 38.27 3k1q n TYR 203 CO 0.00 0.00 0.00 -1.35 -1.02 0.00 0.00 176.86 174.49 3k1q h PRO 204 N 2.30 -0.20 -0.20 -0.72 0.11 -1.55 -1.80 132.00 129.93 3k1q h PRO 204 Ca 0.47 0.01 0.06 0.00 0.11 0.00 0.00 66.00 66.65 3k1q h PRO 204 Cb 0.96 0.05 -0.07 0.00 0.11 0.00 0.00 31.00 32.05 3k1q h PRO 204 CO 1.17 -0.13 -0.27 -0.97 -0.21 0.00 0.00 178.00 177.58 3k1q h ASN 205 N -0.21 -0.87 0.09 -2.05 -1.24 -1.91 -0.81 115.58 108.58 3k1q h ASN 205 Ca 0.17 0.14 -0.00 0.00 0.71 0.00 0.00 56.30 57.32 3k1q h ASN 205 Cb 0.48 0.39 -0.00 0.00 0.73 0.00 0.00 38.32 39.92 3k1q h ASN 205 CO -0.47 -0.31 -0.05 -0.33 -1.29 0.00 0.00 177.43 174.98 3k1q h GLU 206 N -0.30 -0.12 -0.62 6.67 4.39 -1.82 -2.31 114.58 120.47 3k1q h GLU 206 Ca 0.12 0.01 0.03 0.00 0.34 0.00 0.00 59.36 59.86 3k1q h GLU 206 Cb 0.49 0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 29.13 3k1q h GLU 206 CO -0.38 -0.08 0.38 0.74 -1.16 0.00 0.00 179.01 178.51 3k1q h PHE 207 N -0.13 0.72 -0.18 4.33 -1.00 -0.38 0.31 116.94 120.61 3k1q h PHE 207 Ca -0.01 0.02 0.01 0.00 2.81 0.00 0.00 57.97 60.80 3k1q h PHE 207 Cb 0.10 -0.23 -0.01 0.00 3.61 0.00 0.00 35.95 39.42 3k1q h PHE 207 CO -0.08 0.41 0.09 -0.92 -1.61 0.00 0.00 178.31 176.21 3k1q h TYR 208 N 0.75 0.18 -0.25 -0.55 3.20 -1.24 0.57 116.97 119.63 3k1q h TYR 208 Ca 0.25 0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.19 3k1q h TYR 208 Cb 0.01 -0.05 -0.07 0.00 1.54 0.00 0.00 36.73 38.16 3k1q h TYR 208 CO -0.05 0.10 -0.22 -0.97 -1.64 0.00 0.00 178.16 175.38 3k1q h ASN 209 N 0.20 -0.72 0.46 -2.11 -1.24 -0.41 0.50 115.58 112.25 3k1q h ASN 209 Ca 0.07 0.14 -0.01 0.00 0.71 0.00 0.00 56.30 57.20 3k1q h ASN 209 Cb 0.00 0.35 -0.02 0.00 0.73 0.00 0.00 38.32 39.39 3k1q h ASN 209 CO -0.04 -0.26 -0.38 0.58 -1.29 0.00 0.00 177.43 176.04 3k1q h VAL 210 N -0.22 0.23 -0.90 2.57 2.07 -0.88 0.01 116.25 119.13 3k1q h VAL 210 Ca 0.14 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.83 3k1q h VAL 210 Cb 0.44 0.23 -0.17 0.00 -1.52 0.00 0.00 31.29 30.28 3k1q h VAL 210 CO -0.38 0.00 -0.27 0.00 0.02 0.00 0.00 177.57 176.94 3k1q h ALA 211 N -0.45 0.46 -0.67 1.67 0.00 0.72 -0.24 119.26 120.75 3k1q h ALA 211 Ca -0.04 0.32 0.04 0.00 0.00 0.00 0.00 54.91 55.23 3k1q h ALA 211 Cb 0.72 0.76 -0.04 0.00 0.00 0.00 0.00 17.79 19.23 3k1q h ALA 211 CO -0.02 -0.46 0.44 0.82 0.00 0.00 0.00 179.25 180.04 3k1q h ILE 212 N -0.01 1.08 0.00 0.00 5.03 0.37 0.49 117.51 124.47 3k1q h ILE 212 Ca 0.40 -0.27 -0.05 0.00 -0.12 0.00 0.00 64.86 64.82 3k1q h ILE 212 Cb 0.64 0.23 -0.01 0.00 -3.03 0.00 0.00 36.82 34.65 3k1q h ILE 212 CO -0.92 0.14 -0.24 0.45 -0.68 0.00 0.00 178.15 176.90 3k1q h HIS 213 N 0.78 0.00 0.06 1.37 3.86 0.63 -3.03 115.15 118.82 3k1q h HIS 213 Ca 0.27 0.00 -0.38 0.00 -1.16 0.00 0.00 60.37 59.10 3k1q h HIS 213 Cb 0.10 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.52 3k1q h HIS 213 CO -0.00 0.24 -2.25 -2.13 0.86 0.00 0.00 177.93 174.65 3k1q n ARG 214 N -3.34 0.70 -3.46 2.45 0.63 0.16 -4.57 116.66 109.22 3k1q n ARG 214 Ca 0.01 0.20 -0.43 0.00 -0.92 0.00 0.00 57.85 56.70 3k1q n ARG 214 Cb 0.47 -1.61 -0.05 0.00 0.45 0.00 0.00 32.46 31.72 3k1q n ARG 214 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 3k1q s TYR 215 N -2.54 3.64 0.59 -0.14 1.51 0.15 -4.64 117.35 115.92 3k1q s TYR 215 Ca -0.28 -2.24 0.29 0.00 -1.01 0.00 0.00 57.07 53.82 3k1q s TYR 215 Cb 0.08 -3.60 1.64 0.00 -0.11 0.00 0.00 41.96 39.97 3k1q s TYR 215 CO 0.68 -0.94 2.09 -1.35 -1.11 0.00 0.00 175.55 174.92 3k1q h PRO 216 N 7.52 0.00 0.00 -1.71 0.11 -1.84 -0.85 132.00 135.23 3k1q h PRO 216 Ca 0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.17 3k1q h PRO 216 Cb 1.01 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.12 3k1q h PRO 216 CO 0.74 0.00 0.16 0.00 -0.21 0.00 0.00 178.00 178.69 3k1q n ALA 217 N -2.33 0.72 -2.58 -0.75 0.00 -1.26 -4.68 120.51 109.62 3k1q n ALA 217 Ca 0.02 0.03 -0.23 0.00 0.00 0.00 0.00 53.44 53.26 3k1q n ALA 217 Cb 0.35 -0.77 -0.15 0.00 0.00 0.00 0.00 19.45 18.88 3k1q n ALA 217 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3k1q s LEU 218 N -3.05 2.01 0.07 0.00 1.43 -0.32 -2.27 118.68 116.55 3k1q s LEU 218 Ca -0.00 -0.28 0.08 0.00 -1.03 0.00 0.00 54.13 52.89 3k1q s LEU 218 Cb 0.01 -0.80 -0.04 0.00 0.03 0.00 0.00 46.19 45.40 3k1q s LEU 218 CO 0.03 0.18 -0.17 -0.54 0.23 0.00 0.00 176.35 176.09 3k1q s LYS 219 N -0.32 2.00 0.35 1.70 3.01 -1.12 -4.81 119.74 120.53 3k1q s LYS 219 Ca 0.05 -1.04 -0.28 0.00 -1.01 0.00 0.00 55.97 53.68 3k1q s LYS 219 Cb -0.06 -2.19 -0.12 0.00 -1.01 0.00 0.00 37.83 34.45 3k1q s LYS 219 CO -0.00 0.52 1.38 -0.35 0.51 0.00 0.00 175.35 177.40 3k1q n PRO 220 N 1.20 2.34 0.00 -1.68 -0.04 -1.26 -4.26 135.00 131.30 3k1q n PRO 220 Ca -0.16 0.82 0.00 0.00 -0.04 0.00 0.00 63.50 64.13 3k1q n PRO 220 Cb 0.52 -2.47 0.00 0.00 -0.04 0.00 0.00 33.50 31.51 3k1q n PRO 220 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3k1q n GLY 221 N 0.79 0.00 0.32 0.55 0.00 -1.26 -3.65 105.19 101.94 3k1q n GLY 221 Ca 0.04 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.13 3k1q n GLY 221 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3k1q n ASN 222 N 0.00 1.78 -0.24 1.61 6.94 -1.25 -0.74 115.26 123.36 3k1q n ASN 222 Ca 0.00 -3.03 0.05 0.00 -0.02 0.00 0.00 54.58 51.58 3k1q n ASN 222 Cb 0.00 -0.41 0.16 0.00 -2.36 0.00 0.00 39.78 37.17 3k1q n ASN 222 CO 0.00 0.00 0.00 1.55 -1.03 0.00 0.00 177.26 177.78 3k1q h PRO 223 N 0.26 0.18 -3.82 -0.53 0.13 -1.87 -1.42 132.00 124.93 3k1q h PRO 223 Ca -0.01 -0.01 -0.61 0.00 -0.87 0.00 0.00 66.00 64.50 3k1q h PRO 223 Cb 1.11 -0.04 -0.40 0.00 0.13 0.00 0.00 31.00 31.80 3k1q h PRO 223 CO 0.01 0.12 -0.74 -0.51 -0.23 0.00 0.00 178.00 176.64 3k1q s ASP 224 N -5.22 4.21 0.63 1.44 1.01 -1.26 -5.05 116.67 112.44 3k1q s ASP 224 Ca -0.13 -1.87 0.25 0.00 0.71 0.00 0.00 52.55 51.51 3k1q s ASP 224 Cb 0.21 -1.10 1.29 0.00 1.01 0.00 0.00 42.92 44.33 3k1q s ASP 224 CO 0.75 -0.39 1.73 0.74 0.21 0.00 0.00 175.17 178.21 3k1q h THR 225 N 6.42 0.12 -0.86 -1.27 2.02 -1.53 0.15 112.91 117.96 3k1q h THR 225 Ca -0.10 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.18 3k1q h THR 225 Cb 1.01 0.50 -0.12 0.00 -1.74 0.00 0.00 68.15 67.80 3k1q h THR 225 CO 0.49 0.00 -0.53 0.11 0.37 0.00 0.00 175.52 175.96 3k1q h LYS 226 N 0.00 -0.08 -2.66 6.66 1.57 -1.94 -3.37 116.57 116.75 3k1q h LYS 226 Ca 0.12 0.01 -0.59 0.00 -1.87 0.00 0.00 60.65 58.31 3k1q h LYS 226 Cb 1.23 0.02 -0.39 0.00 0.08 0.00 0.00 32.23 33.16 3k1q h LYS 226 CO -0.00 -0.06 -0.84 -0.51 -0.57 0.00 0.00 179.45 177.48 3k1q s LEU 227 N -10.57 1.70 0.10 2.94 1.43 0.42 -4.93 118.68 109.77 3k1q s LEU 227 Ca -0.13 -2.59 0.17 0.00 -1.03 0.00 0.00 54.13 50.55 3k1q s LEU 227 Cb 0.13 -0.63 -0.10 0.00 0.03 0.00 0.00 46.19 45.62 3k1q s LEU 227 CO 0.64 -0.25 0.92 1.55 0.23 0.00 0.00 176.35 179.44 3k1q h PRO 228 N 6.53 0.00 -5.95 1.29 0.13 -1.45 -3.36 132.00 129.20 3k1q h PRO 228 Ca 0.10 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.60 3k1q h PRO 228 Cb 0.93 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.01 3k1q h PRO 228 CO 0.37 0.28 -0.53 -0.51 -0.23 0.00 0.00 178.00 177.38 3k1q s ASP 229 N -5.82 6.13 0.12 1.44 1.01 -1.26 -4.05 116.67 114.25 3k1q s ASP 229 Ca -0.02 0.22 -0.08 0.00 0.71 0.00 0.00 52.55 53.38 3k1q s ASP 229 Cb 0.09 -1.84 -0.01 0.00 1.01 0.00 0.00 42.92 42.16 3k1q s ASP 229 CO 0.80 0.20 0.21 0.00 0.21 0.00 0.00 175.17 176.60 3k1q s ALA 230 N -1.41 -0.02 -0.10 5.23 0.00 -1.26 -5.07 121.76 119.14 3k1q s ALA 230 Ca 0.31 -0.82 0.18 0.00 0.00 0.00 0.00 51.96 51.62 3k1q s ALA 230 Cb -0.13 0.68 -0.26 0.00 0.00 0.00 0.00 23.12 23.41 3k1q s ALA 230 CO 0.23 -0.56 0.25 1.04 0.00 0.00 0.00 175.76 176.71 3k1q n GLN 231 N -0.13 0.83 -3.49 0.00 1.13 -1.26 -4.96 117.38 109.50 3k1q n GLN 231 Ca -0.11 -0.10 -0.37 0.00 -1.94 0.00 0.00 57.00 54.48 3k1q n GLN 231 Cb 0.63 -1.46 -0.08 0.00 0.11 0.00 0.00 30.24 29.44 3k1q n GLN 231 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3k1q s ALA 232 N -2.90 3.58 0.00 -1.58 0.00 -1.26 -5.07 121.76 114.52 3k1q s ALA 232 Ca -0.08 -0.61 0.00 0.00 0.00 0.00 0.00 51.96 51.27 3k1q s ALA 232 Cb 0.09 -2.50 0.00 0.00 0.00 0.00 0.00 23.12 20.71 3k1q s ALA 232 CO 0.77 -0.19 0.00 0.72 0.00 0.00 0.00 175.76 177.05 3k1q n HIS 233 N 4.24 0.00 -0.06 0.00 8.25 -1.26 -5.15 115.22 121.25 3k1q n HIS 233 Ca -0.11 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.35 3k1q n HIS 233 Cb 0.51 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.62 3k1q n HIS 233 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 3k1q n PRO 234 N 0.00 3.63 -0.02 -0.41 -0.02 -1.26 -4.98 135.00 131.93 3k1q n PRO 234 Ca 0.00 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.35 3k1q n PRO 234 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 33.50 33.39 3k1q n PRO 234 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3k1q h LEU 235 N 0.00 0.09 0.00 2.45 5.85 -2.01 -3.42 115.31 118.27 3k1q h LEU 235 Ca 0.00 -0.49 0.00 0.00 0.84 0.00 0.00 57.88 58.23 3k1q h LEU 235 Cb 0.00 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.00 3k1q h LEU 235 CO 0.00 0.57 0.00 0.61 -0.34 0.00 0.00 178.44 179.28 3k1q n GLY 236 N 0.24 0.00 0.00 3.75 0.00 -1.26 -2.72 105.19 105.20 3k1q n GLY 236 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 3k1q n GLY 236 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3k1q n GLU 237 N 0.00 0.00 -0.05 1.61 4.71 -1.26 -1.10 120.64 124.55 3k1q n GLU 237 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 57.16 57.11 3k1q n GLU 237 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 31.44 30.40 3k1q n GLU 237 CO 0.00 0.00 0.00 -0.24 0.09 0.00 0.00 177.13 176.98 3k1q h VAL 238 N 0.00 0.00 -0.50 2.62 3.04 -1.88 -0.82 116.25 118.71 3k1q h VAL 238 Ca 0.00 0.00 0.14 0.00 -1.01 0.00 0.00 66.70 65.83 3k1q h VAL 238 Cb 0.00 0.00 -0.02 0.00 -2.01 0.00 0.00 31.29 29.26 3k1q h VAL 238 CO 0.00 0.00 0.43 0.00 -1.01 0.00 0.00 177.57 176.99 3k1q h ALA 239 N -0.89 2.32 -0.31 3.17 0.00 -1.35 -1.73 119.26 120.46 3k1q h ALA 239 Ca 0.02 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 3k1q h ALA 239 Cb 0.16 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 3k1q h ALA 239 CO -0.18 -0.68 -0.37 0.78 0.00 0.00 0.00 179.25 178.79 3k1q h GLY 240 N 0.00 0.88 0.46 0.00 0.00 -1.12 -3.03 103.07 100.26 3k1q h GLY 240 Ca 0.24 -0.93 0.17 0.00 0.00 0.00 0.00 47.33 46.80 3k1q h GLY 240 CO -0.00 0.84 0.57 0.00 0.00 0.00 0.00 176.54 177.95 3k1q h ALA 241 N 0.71 2.03 0.00 3.60 0.00 -0.24 -1.38 119.26 123.99 3k1q h ALA 241 Ca 0.04 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 3k1q h ALA 241 Cb 0.96 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 3k1q h ALA 241 CO 0.09 -0.29 -0.30 0.74 0.00 0.00 0.00 179.25 179.49 3k1q h PHE 242 N 0.52 0.00 -0.00 0.00 0.04 -1.58 -2.69 116.94 113.24 3k1q h PHE 242 Ca 0.44 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.21 3k1q h PHE 242 Cb 0.93 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.08 3k1q h PHE 242 CO -0.00 0.30 -0.21 0.09 -0.60 0.00 0.00 178.31 177.89 3k1q n ASN 243 N -3.85 0.27 -4.68 2.17 3.02 -0.59 -3.73 115.26 107.86 3k1q n ASN 243 Ca -0.01 0.05 -0.41 0.00 -0.03 0.00 0.00 54.58 54.17 3k1q n ASN 243 Cb 0.38 -0.14 -0.05 0.00 -0.61 0.00 0.00 39.78 39.36 3k1q n ASN 243 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3k1q s ALA 244 N -2.92 3.48 0.16 5.41 0.00 -0.77 -4.87 121.76 122.24 3k1q s ALA 244 Ca 0.15 -0.01 -0.34 0.00 0.00 0.00 0.00 51.96 51.76 3k1q s ALA 244 Cb 0.19 -3.11 -0.14 0.00 0.00 0.00 0.00 23.12 20.06 3k1q s ALA 244 CO 0.59 -0.49 1.53 0.00 0.00 0.00 0.00 175.76 177.38 3k1q n ALA 245 N 4.83 1.00 -2.46 0.00 0.00 -1.24 -4.78 120.51 117.86 3k1q n ALA 245 Ca 0.02 0.45 -0.22 0.00 0.00 0.00 0.00 53.44 53.69 3k1q n ALA 245 Cb 0.50 -2.30 -0.04 0.00 0.00 0.00 0.00 19.45 17.60 3k1q n ALA 245 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3k1q s THR 246 N 0.76 3.26 0.37 0.00 -4.23 -0.06 -5.02 115.64 110.72 3k1q s THR 246 Ca 0.79 -1.45 0.31 0.00 -1.18 0.00 0.00 61.69 60.16 3k1q s THR 246 Cb -0.72 -3.10 0.47 0.00 1.34 0.00 0.00 72.50 70.49 3k1q s THR 246 CO 0.40 -0.15 1.17 -1.54 -0.54 0.00 0.00 174.62 173.97 3k1q n SER 247 N -1.34 0.08 0.00 3.99 3.41 -1.26 -3.35 113.62 115.15 3k1q n SER 247 Ca -0.01 0.90 0.00 0.00 -0.26 0.00 0.00 58.87 59.50 3k1q n SER 247 Cb 0.60 -0.45 0.00 0.00 -0.26 0.00 0.00 64.21 64.11 3k1q n SER 247 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3k1q n GLU 248 N -3.83 2.68 -4.95 4.33 4.71 -1.26 -5.05 120.64 117.26 3k1q n GLU 248 Ca 0.32 0.00 -0.31 0.00 -0.01 0.00 0.00 57.16 57.16 3k1q n GLU 248 Cb 1.35 -0.91 -0.14 0.00 -1.01 0.00 0.00 31.44 30.72 3k1q n GLU 248 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 3k1q s VAL 249 N -1.78 2.46 0.00 2.62 0.11 -1.21 -4.80 120.40 117.80 3k1q s VAL 249 Ca 0.00 -1.13 0.00 0.00 -2.93 0.00 0.00 61.98 57.92 3k1q s VAL 249 Cb 0.00 -1.95 0.00 0.00 -1.53 0.00 0.00 36.38 32.90 3k1q s VAL 249 CO 0.00 0.46 0.00 0.61 -3.33 0.00 0.00 175.10 172.84 3k1q n GLY 250 N 2.01 -1.06 3.29 6.54 0.00 -1.26 -0.88 105.19 113.82 3k1q n GLY 250 Ca -0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.52 3k1q n GLY 250 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3k1q s SER 251 N -2.49 3.88 0.14 1.61 0.15 -1.26 -3.63 113.70 112.10 3k1q s SER 251 Ca 0.00 -0.43 -0.20 0.00 0.70 0.00 0.00 55.95 56.02 3k1q s SER 251 Cb 0.00 -1.62 -0.01 0.00 -1.71 0.00 0.00 66.02 62.69 3k1q s SER 251 CO 0.00 0.07 1.69 -0.07 1.20 0.00 0.00 173.24 176.13 3k1q h LEU 252 N 7.42 -0.31 -0.79 3.45 4.07 -1.87 -2.58 115.31 124.70 3k1q h LEU 252 Ca -0.35 0.08 0.10 0.00 0.08 0.00 0.00 57.88 57.79 3k1q h LEU 252 Cb 1.18 0.18 -0.07 0.00 1.08 0.00 0.00 40.66 43.03 3k1q h LEU 252 CO 0.58 -0.12 0.43 -0.37 -1.08 0.00 0.00 178.44 177.88 3k1q h VAL 253 N -0.07 0.87 0.00 1.22 -1.51 -1.96 -2.62 116.25 112.18 3k1q h VAL 253 Ca 0.11 -0.24 0.00 0.00 -1.23 0.00 0.00 66.70 65.34 3k1q h VAL 253 Cb 0.23 0.10 0.00 0.00 -2.13 0.00 0.00 31.29 29.49 3k1q h VAL 253 CO -0.25 0.13 0.00 0.61 -1.23 0.00 0.00 177.57 176.83 3k1q n GLY 254 N -1.31 -2.96 0.38 5.19 0.00 -1.12 -0.71 105.19 104.66 3k1q n GLY 254 Ca 0.13 0.35 0.14 0.00 0.00 0.00 0.00 46.02 46.64 3k1q n GLY 254 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3k1q h SER 255 N 0.00 0.57 0.22 1.61 4.64 -1.54 0.14 113.55 119.20 3k1q h SER 255 Ca 0.00 0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.35 3k1q h SER 255 Cb 0.00 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 3k1q h SER 255 CO 0.00 0.28 -0.11 -1.28 -0.87 0.00 0.00 176.83 174.85 3k1q h SER 256 N 0.60 -0.25 -0.09 4.97 0.87 -1.30 -0.42 113.55 117.93 3k1q h SER 256 Ca 0.44 -0.15 0.04 0.00 -1.23 0.00 0.00 61.79 60.90 3k1q h SER 256 Cb 0.82 0.06 -0.06 0.00 -0.44 0.00 0.00 62.40 62.79 3k1q h SER 256 CO -0.19 0.01 -0.26 0.28 -0.53 0.00 0.00 176.83 176.13 3k1q h SER 257 N -0.51 -0.81 0.04 6.23 0.02 -0.44 -0.95 113.55 117.12 3k1q h SER 257 Ca -0.03 0.12 0.01 0.00 -0.84 0.00 0.00 61.79 61.05 3k1q h SER 257 Cb 0.38 0.35 -0.03 0.00 0.14 0.00 0.00 62.40 63.24 3k1q h SER 257 CO 0.05 -0.32 -0.34 0.74 -1.14 0.00 0.00 176.83 175.82 3k1q h THR 258 N -0.35 0.00 -0.80 -2.27 2.02 -0.65 -0.78 112.91 110.08 3k1q h THR 258 Ca 0.09 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.37 3k1q h THR 258 Cb 0.49 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.82 3k1q h THR 258 CO -0.29 0.00 0.44 -0.07 0.37 0.00 0.00 175.52 175.96 3k1q h LEU 259 N -0.46 0.60 -0.71 2.58 3.38 -0.78 -2.15 115.31 117.76 3k1q h LEU 259 Ca 0.00 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3k1q h LEU 259 Cb 0.48 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 3k1q h LEU 259 CO -0.21 0.34 0.40 0.28 0.09 0.00 0.00 178.44 179.34 3k1q h SER 260 N 0.72 0.89 -0.97 -0.43 0.02 -1.01 -1.18 113.55 111.59 3k1q h SER 260 Ca 0.39 -0.09 0.10 0.00 -0.84 0.00 0.00 61.79 61.36 3k1q h SER 260 Cb 0.40 -0.23 -0.08 0.00 0.14 0.00 0.00 62.40 62.63 3k1q h SER 260 CO -0.26 0.72 0.62 1.56 -1.14 0.00 0.00 176.83 178.33 3k1q h GLN 261 N 0.98 0.96 0.35 3.45 4.20 -0.62 -0.26 115.11 124.17 3k1q h GLN 261 Ca 0.25 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.89 3k1q h GLN 261 Cb 0.03 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 27.59 3k1q h GLN 261 CO -0.04 0.64 -0.17 0.00 -0.67 0.00 0.00 178.83 178.59 3k1q h ALA 262 N 1.53 -0.46 -0.58 3.87 0.00 -0.86 -2.20 119.26 120.56 3k1q h ALA 262 Ca 0.46 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 55.30 3k1q h ALA 262 Cb 0.42 0.18 -0.08 0.00 0.00 0.00 0.00 17.79 18.30 3k1q h ALA 262 CO -0.22 -0.72 -0.49 0.82 0.00 0.00 0.00 179.25 178.64 3k1q h ILE 263 N -0.55 0.00 0.00 0.00 2.04 -0.90 -0.83 117.51 117.28 3k1q h ILE 263 Ca -0.05 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.79 3k1q h ILE 263 Cb 0.41 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.49 3k1q h ILE 263 CO 0.08 0.00 -0.11 0.77 0.00 0.00 0.00 178.15 178.89 3k1q h SER 264 N -0.19 0.00 -0.64 1.72 4.64 -1.00 0.33 113.55 118.41 3k1q h SER 264 Ca 0.10 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.34 3k1q h SER 264 Cb 0.44 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.50 3k1q h SER 264 CO -0.64 0.11 0.12 0.71 -0.87 0.00 0.00 176.83 176.26 3k1q h THR 265 N 0.00 1.26 -0.87 2.95 1.35 -1.13 -1.38 112.91 115.10 3k1q h THR 265 Ca -0.00 -1.00 0.06 0.00 -0.55 0.00 0.00 66.41 64.92 3k1q h THR 265 Cb 0.21 0.68 -0.06 0.00 -1.73 0.00 0.00 68.15 67.24 3k1q h THR 265 CO 0.01 0.37 0.54 0.24 -0.25 0.00 0.00 175.52 176.44 3k1q h MET 266 N 0.96 0.96 -0.61 4.72 2.07 0.97 -1.51 114.93 122.49 3k1q h MET 266 Ca 0.19 -0.06 0.09 0.00 -2.07 0.00 0.00 59.70 57.85 3k1q h MET 266 Cb 0.42 -0.22 -0.07 0.00 -1.87 0.00 0.00 31.60 29.86 3k1q h MET 266 CO 0.01 0.64 0.25 0.00 1.07 0.00 0.00 176.91 178.88 3k1q h ALA 267 N 1.40 0.79 0.00 6.32 0.00 -0.55 -2.10 119.26 125.12 3k1q h ALA 267 Ca 0.37 0.07 -0.14 0.00 0.00 0.00 0.00 54.91 55.22 3k1q h ALA 267 Cb 0.16 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3k1q h ALA 267 CO -0.17 -0.15 -0.65 0.78 0.00 0.00 0.00 179.25 179.06 3k1q h GLY 268 N 0.45 0.00 2.00 0.00 0.00 -1.10 -2.80 103.07 101.63 3k1q h GLY 268 Ca 0.30 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.57 3k1q h GLY 268 CO -0.28 0.00 -0.26 1.70 0.00 0.00 0.00 176.54 177.70 3k1q h LYS 269 N 0.00 0.00 -3.43 4.80 3.64 -0.88 -3.47 116.57 117.23 3k1q h LYS 269 Ca -0.01 0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 59.07 3k1q h LYS 269 Cb 1.15 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.95 3k1q h LYS 269 CO 0.08 0.26 -0.38 -3.47 -2.27 0.00 0.00 179.45 173.68 3k1q n ASP 270 N -3.55 -4.49 0.00 4.20 2.03 -0.83 -4.49 116.55 109.42 3k1q n ASP 270 Ca -0.01 0.15 0.00 0.00 0.52 0.00 0.00 54.79 55.45 3k1q n ASP 270 Cb 0.41 -3.81 0.00 0.00 -0.72 0.00 0.00 41.12 37.00 3k1q n ASP 270 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 3k1q n LEU 271 N -2.81 0.00 -0.27 -2.67 4.32 -1.24 -3.90 117.00 110.43 3k1q n LEU 271 Ca -0.18 0.00 0.15 0.00 -0.02 0.00 0.00 56.01 55.97 3k1q n LEU 271 Cb 0.63 0.00 0.30 0.00 -1.62 0.00 0.00 43.42 42.72 3k1q n LEU 271 CO 0.21 0.00 0.69 0.47 -1.22 0.00 0.00 177.39 177.53 3k1q n ASP 272 N 0.00 0.01 0.00 -1.43 8.00 -1.26 -3.01 116.55 118.86 3k1q n ASP 272 Ca 0.00 1.33 0.00 0.00 0.71 0.00 0.00 54.79 56.83 3k1q n ASP 272 Cb 0.00 -0.53 0.00 0.00 -0.02 0.00 0.00 41.12 40.57 3k1q n ASP 272 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3k1q n LEU 273 N -5.02 0.00 0.19 0.64 4.32 -1.25 0.21 117.00 116.09 3k1q n LEU 273 Ca 0.22 0.00 0.05 0.00 -0.02 0.00 0.00 56.01 56.26 3k1q n LEU 273 Cb 0.72 0.00 0.38 0.00 -1.62 0.00 0.00 43.42 42.91 3k1q n LEU 273 CO -0.04 0.00 0.72 0.40 -1.22 0.00 0.00 177.39 177.25 3k1q h ILE 274 N 0.00 1.01 -1.73 -0.08 1.08 -1.92 -3.37 117.51 112.50 3k1q h ILE 274 Ca 0.00 -1.37 -0.76 0.00 -0.39 0.00 0.00 64.86 62.34 3k1q h ILE 274 Cb 0.00 1.79 -0.21 0.00 -3.07 0.00 0.00 36.82 35.33 3k1q h ILE 274 CO 0.00 0.36 1.52 -0.62 -0.69 0.00 0.00 178.15 178.72 3k1q n GLU 275 N -3.74 4.72 -3.74 2.37 4.71 0.13 -2.95 120.64 122.14 3k1q n GLU 275 Ca -0.01 -3.97 -0.29 0.00 -0.01 0.00 0.00 57.16 52.88 3k1q n GLU 275 Cb 0.45 -2.49 -0.15 0.00 -1.01 0.00 0.00 31.44 28.23 3k1q n GLU 275 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3k1q s ALA 276 N -2.94 1.44 -0.17 0.62 0.00 -1.26 -4.97 121.76 114.48 3k1q s ALA 276 Ca 0.47 -1.45 -0.21 0.00 0.00 0.00 0.00 51.96 50.77 3k1q s ALA 276 Cb 0.22 -1.52 -0.22 0.00 0.00 0.00 0.00 23.12 21.60 3k1q s ALA 276 CO -0.15 -1.54 0.38 -0.44 0.00 0.00 0.00 175.76 174.01 3k1q h ASP 277 N 8.12 0.09 -3.43 0.00 3.32 -1.88 -0.89 116.42 121.75 3k1q h ASP 277 Ca -0.14 -0.68 -0.67 0.00 0.02 0.00 0.00 57.03 55.56 3k1q h ASP 277 Cb 1.04 -0.03 -0.15 0.00 0.22 0.00 0.00 39.33 40.41 3k1q h ASP 277 CO 0.44 1.45 -0.66 0.42 -1.72 0.00 0.00 179.24 179.17 3k1q s THR 278 N -2.37 4.02 -0.36 0.35 -4.23 -1.26 -4.73 115.64 107.05 3k1q s THR 278 Ca -0.25 -0.64 -0.17 0.00 -1.18 0.00 0.00 61.69 59.45 3k1q s THR 278 Cb 0.04 -2.78 -0.10 0.00 1.34 0.00 0.00 72.50 71.01 3k1q s THR 278 CO 0.65 0.39 1.14 -2.65 -0.54 0.00 0.00 174.62 173.61 3k1q n PRO 279 N 1.45 0.00 -3.86 3.99 -0.02 -1.26 -4.97 135.00 130.33 3k1q n PRO 279 Ca -0.15 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 60.97 3k1q n PRO 279 Cb 0.53 -0.70 -0.12 0.00 -0.02 0.00 0.00 33.50 33.19 3k1q n PRO 279 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3k1q s LEU 280 N 3.58 3.54 0.07 2.45 2.96 -1.15 -4.93 118.68 125.20 3k1q s LEU 280 Ca 0.60 -0.13 -0.31 0.00 -0.22 0.00 0.00 54.13 54.08 3k1q s LEU 280 Cb -0.63 -1.93 -0.09 0.00 0.50 0.00 0.00 46.19 44.04 3k1q s LEU 280 CO 0.26 0.03 1.78 -2.16 -1.32 0.00 0.00 176.35 174.94 3k1q s PRO 281 N 1.24 4.16 0.10 0.98 0.04 -1.26 0.12 135.00 140.38 3k1q s PRO 281 Ca 0.05 2.48 -0.10 0.00 0.04 0.00 0.00 61.00 63.47 3k1q s PRO 281 Cb -0.14 -3.73 0.07 0.00 0.04 0.00 0.00 34.50 30.73 3k1q s PRO 281 CO 0.03 -0.83 0.70 1.33 0.04 0.00 0.00 177.00 178.27 3k1q n VAL 282 N 4.95 -0.26 -0.33 -0.36 0.24 0.61 -1.54 118.33 121.64 3k1q n VAL 282 Ca 0.17 1.07 0.11 0.00 -2.04 0.00 0.00 64.34 63.65 3k1q n VAL 282 Cb 0.40 -1.38 0.31 0.00 -1.47 0.00 0.00 33.84 31.70 3k1q n VAL 282 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 3k1q h SER 283 N 0.00 0.79 0.13 -1.34 4.64 -1.86 0.84 113.55 116.76 3k1q h SER 283 Ca 0.13 0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 61.51 3k1q h SER 283 Cb 0.25 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 3k1q h SER 283 CO -0.44 0.37 -0.06 0.58 -0.87 0.00 0.00 176.83 176.41 3k1q h VAL 284 N 0.82 1.05 -0.02 0.95 2.07 -1.67 -3.34 116.25 116.11 3k1q h VAL 284 Ca 0.51 -0.94 -0.20 0.00 0.82 0.00 0.00 66.70 66.89 3k1q h VAL 284 Cb 0.71 1.61 0.01 0.00 -1.52 0.00 0.00 31.29 32.11 3k1q h VAL 284 CO -0.28 0.22 -0.75 0.15 0.02 0.00 0.00 177.57 176.92 3k1q h PHE 285 N -0.64 0.79 -3.24 1.57 3.57 -0.94 -3.45 116.94 114.60 3k1q h PHE 285 Ca -0.02 -0.42 -0.58 0.00 3.53 0.00 0.00 57.97 60.49 3k1q h PHE 285 Cb 0.49 -0.09 -0.06 0.00 2.79 0.00 0.00 35.95 39.07 3k1q h PHE 285 CO 0.07 1.24 0.53 0.99 -2.23 0.00 0.00 178.31 178.90 3k1q s THR 286 N -3.31 4.81 0.00 4.41 2.01 0.29 -5.03 115.64 118.82 3k1q s THR 286 Ca -0.12 1.79 0.00 0.00 0.31 0.00 0.00 61.69 63.67 3k1q s THR 286 Cb 0.05 -4.21 0.00 0.00 0.01 0.00 0.00 72.50 68.36 3k1q s THR 286 CO 0.86 -0.04 0.00 -2.65 -0.69 0.00 0.00 174.62 172.10 3k1q n PRO 287 N 5.54 0.00 -3.32 4.92 -0.02 -1.26 -4.77 135.00 136.09 3k1q n PRO 287 Ca 0.07 0.00 -0.38 0.00 -2.02 0.00 0.00 63.50 61.17 3k1q n PRO 287 Cb 0.48 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 33.90 3k1q n PRO 287 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3k1q s SER 288 N -1.00 6.76 -0.01 2.55 0.15 -1.26 -5.09 113.70 115.80 3k1q s SER 288 Ca 0.00 0.90 0.01 0.00 0.70 0.00 0.00 55.95 57.56 3k1q s SER 288 Cb 0.00 -2.30 -0.04 0.00 -1.71 0.00 0.00 66.02 61.98 3k1q s SER 288 CO 0.00 0.07 0.00 -0.76 1.20 0.00 0.00 173.24 173.75 3k1q s LEU 289 N 0.23 3.53 0.15 3.45 1.43 -1.26 -5.15 118.68 121.06 3k1q s LEU 289 Ca 0.27 0.01 0.08 0.00 -1.03 0.00 0.00 54.13 53.46 3k1q s LEU 289 Cb -0.16 -2.01 -0.04 0.00 0.03 0.00 0.00 46.19 44.01 3k1q s LEU 289 CO 0.12 0.29 -0.10 0.00 0.23 0.00 0.00 176.35 176.89 3k1q s ALA 290 N -1.07 2.95 0.78 4.21 0.00 -1.26 -5.09 121.76 122.28 3k1q s ALA 290 Ca 0.19 -1.37 -0.15 0.00 0.00 0.00 0.00 51.96 50.64 3k1q s ALA 290 Cb -0.12 -0.81 0.01 0.00 0.00 0.00 0.00 23.12 22.20 3k1q s ALA 290 CO 0.10 0.55 0.72 -2.30 0.00 0.00 0.00 175.76 174.82 3k1q n PRO 291 N 0.34 0.21 -4.32 0.00 -0.02 -1.26 -4.76 135.00 125.19 3k1q n PRO 291 Ca -0.12 0.12 -0.17 0.00 -2.02 0.00 0.00 63.50 61.31 3k1q n PRO 291 Cb 0.54 -2.03 -0.10 0.00 -0.02 0.00 0.00 33.50 31.89 3k1q n PRO 291 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3k1q s ARG 292 N -3.30 1.27 -0.18 -0.52 1.81 -0.55 -5.02 118.95 112.46 3k1q s ARG 292 Ca 0.67 -1.60 -0.00 0.00 -1.72 0.00 0.00 55.73 53.07 3k1q s ARG 292 Cb -0.31 -0.74 0.01 0.00 -0.45 0.00 0.00 34.95 33.46 3k1q s ARG 292 CO 0.57 0.01 -0.15 -1.12 -0.68 0.00 0.00 175.30 173.93 3k1q s SER 293 N -3.28 3.57 0.21 0.23 0.01 -1.26 -0.96 113.70 112.23 3k1q s SER 293 Ca 0.24 -0.53 0.08 0.00 1.31 0.00 0.00 55.95 57.04 3k1q s SER 293 Cb 0.04 -1.57 -0.05 0.00 0.21 0.00 0.00 66.02 64.65 3k1q s SER 293 CO 0.06 0.02 -0.14 -0.31 0.41 0.00 0.00 173.24 173.27 3k1q s TYR 294 N 1.21 1.75 -0.02 2.43 1.51 -0.36 -4.96 117.35 118.90 3k1q s TYR 294 Ca 0.02 -0.57 0.02 0.00 -1.01 0.00 0.00 57.07 55.54 3k1q s TYR 294 Cb -0.14 -0.81 -0.03 0.00 -0.11 0.00 0.00 41.96 40.86 3k1q s TYR 294 CO -0.07 0.37 -0.06 -0.98 -1.11 0.00 0.00 175.55 173.71 3k1q s ARG 295 N -3.64 2.65 0.00 -0.62 1.70 -1.26 -0.93 118.95 116.85 3k1q s ARG 295 Ca 0.23 -0.64 0.00 0.00 -0.47 0.00 0.00 55.73 54.85 3k1q s ARG 295 Cb -0.01 -2.56 0.00 0.00 -0.57 0.00 0.00 34.95 31.81 3k1q s ARG 295 CO 0.07 0.63 0.00 -2.30 -1.08 0.00 0.00 175.30 172.62 3k1q n PRO 296 N 1.78 0.00 0.00 3.89 -0.02 -1.26 -4.25 135.00 135.14 3k1q n PRO 296 Ca -0.16 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.32 3k1q n PRO 296 Cb 0.53 -0.47 0.00 0.00 -0.02 0.00 0.00 33.50 33.54 3k1q n PRO 296 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3k1q n ALA 297 N -2.99 0.00 -2.04 3.55 0.00 -1.26 -0.37 120.51 117.39 3k1q n ALA 297 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 3k1q n ALA 297 Cb 0.00 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.56 3k1q n ALA 297 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3k1q n PHE 298 N 0.00 0.41 -1.23 0.00 3.01 -1.26 -5.04 117.46 113.34 3k1q n PHE 298 Ca 0.00 -1.30 -0.30 0.00 1.01 0.00 0.00 57.45 56.86 3k1q n PHE 298 Cb 0.00 -0.23 0.13 0.00 -0.01 0.00 0.00 39.48 39.38 3k1q n PHE 298 CO 0.00 0.00 0.00 -1.50 1.01 0.00 0.00 176.76 176.27 3k1q s ILE 299 N -2.36 2.68 -0.34 4.37 1.10 0.50 -5.02 121.20 122.12 3k1q s ILE 299 Ca 0.37 0.22 -0.01 0.00 -0.51 0.00 0.00 60.65 60.72 3k1q s ILE 299 Cb 0.38 -2.73 0.08 0.00 0.15 0.00 0.00 42.46 40.34 3k1q s ILE 299 CO -0.09 -0.29 0.07 -0.54 -2.11 0.00 0.00 174.94 171.98 3k1q s LYS 300 N -4.95 2.16 0.41 3.50 -0.14 -1.26 -4.96 119.74 114.50 3k1q s LYS 300 Ca 0.63 -1.53 0.28 0.00 -1.36 0.00 0.00 55.97 53.99 3k1q s LYS 300 Cb -0.18 -3.31 1.43 0.00 -1.68 0.00 0.00 37.83 34.10 3k1q s LYS 300 CO 0.57 -0.81 1.58 -1.35 -0.76 0.00 0.00 175.35 174.58 3k1q h PRO 301 N 7.96 0.01 -1.00 -1.68 0.11 -1.90 0.40 132.00 135.90 3k1q h PRO 301 Ca -0.16 -0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.98 3k1q h PRO 301 Cb 1.05 -0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.10 3k1q h PRO 301 CO 0.58 0.01 0.66 0.93 -0.21 0.00 0.00 178.00 179.97 3k1q h GLU 302 N 0.01 1.27 0.00 1.05 3.07 -1.93 -2.68 114.58 115.37 3k1q h GLU 302 Ca 0.87 -0.08 -0.23 0.00 -0.50 0.00 0.00 59.36 59.42 3k1q h GLU 302 Cb 2.59 -0.29 -0.04 0.00 -0.84 0.00 0.00 28.75 30.17 3k1q h GLU 302 CO -0.59 0.84 -1.76 -0.25 -1.40 0.00 0.00 179.01 175.85 3k1q n ASP 303 N -4.42 0.60 -4.40 1.42 8.00 0.13 -4.83 116.55 113.06 3k1q n ASP 303 Ca 0.13 0.28 -0.45 0.00 0.71 0.00 0.00 54.79 55.45 3k1q n ASP 303 Cb 0.06 0.43 -0.02 0.00 -0.02 0.00 0.00 41.12 41.57 3k1q n ASP 303 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3k1q s ALA 304 N -2.78 3.88 0.09 2.24 0.00 -0.83 -4.81 121.76 119.56 3k1q s ALA 304 Ca -0.05 -3.19 -0.18 0.00 0.00 0.00 0.00 51.96 48.54 3k1q s ALA 304 Cb 0.08 -3.81 -0.04 0.00 0.00 0.00 0.00 23.12 19.35 3k1q s ALA 304 CO 0.83 -2.61 1.02 1.63 0.00 0.00 0.00 175.76 176.63 3k1q n LYS 305 N 5.03 -0.25 0.00 0.00 5.02 -1.26 -2.68 118.16 124.02 3k1q n LYS 305 Ca 0.22 1.01 0.13 0.00 -2.02 0.00 0.00 58.31 57.65 3k1q n LYS 305 Cb 0.46 -1.48 0.79 0.00 -0.02 0.00 0.00 35.03 34.77 3k1q n LYS 305 CO 0.00 0.00 0.00 -2.67 -0.52 0.00 0.00 177.40 174.21 3k1q n TRP 306 N -4.45 0.00 -3.27 2.13 4.27 -1.26 -4.68 117.44 110.18 3k1q n TRP 306 Ca 0.01 0.00 -0.05 0.00 -3.89 0.00 0.00 57.50 53.57 3k1q n TRP 306 Cb 0.15 -0.02 -0.05 0.00 -1.36 0.00 0.00 31.31 30.03 3k1q n TRP 306 CO 0.00 0.00 0.00 -1.50 -2.29 0.00 0.00 177.69 173.90 3k1q s ILE 307 N -2.05 -0.73 0.04 -1.67 2.07 -1.09 0.46 121.20 118.24 3k1q s ILE 307 Ca 0.39 -0.17 0.00 0.00 -1.41 0.00 0.00 60.65 59.46 3k1q s ILE 307 Cb 0.18 -0.96 0.00 0.00 0.13 0.00 0.00 42.46 41.81 3k1q s ILE 307 CO 0.32 -0.18 0.01 0.00 -1.91 0.00 0.00 174.94 173.18 3k1q n ALA 308 N 5.37 0.04 -2.69 1.50 0.00 -0.84 -4.35 120.51 119.55 3k1q n ALA 308 Ca 0.01 -0.19 -0.19 0.00 0.00 0.00 0.00 53.44 53.07 3k1q n ALA 308 Cb 0.50 0.10 -0.13 0.00 0.00 0.00 0.00 19.45 19.93 3k1q n ALA 308 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3k1q s GLU 309 N -2.16 0.83 0.51 0.00 0.41 -1.26 0.48 118.70 117.52 3k1q s GLU 309 Ca 0.00 -0.80 -0.23 0.00 -0.41 0.00 0.00 54.97 53.53 3k1q s GLU 309 Cb -0.00 -0.82 -0.06 0.00 -1.78 0.00 0.00 34.13 31.48 3k1q s GLU 309 CO 0.00 0.19 1.33 0.12 -0.49 0.00 0.00 175.26 176.42 3k1q s PHE 310 N -1.02 2.42 -0.09 1.61 5.36 -1.26 -4.90 117.98 120.10 3k1q s PHE 310 Ca -0.01 1.39 -0.05 0.00 -0.96 0.00 0.00 56.93 57.30 3k1q s PHE 310 Cb -0.09 -3.74 -0.04 0.00 -0.34 0.00 0.00 43.02 38.81 3k1q s PHE 310 CO 0.01 -2.65 0.12 0.54 -1.46 0.00 0.00 175.22 171.78 3k1q s ASN 311 N -0.95 6.13 0.50 6.13 4.22 -1.26 -4.32 114.94 125.40 3k1q s ASN 311 Ca 0.68 0.37 -0.22 0.00 -2.14 0.00 0.00 52.86 51.55 3k1q s ASN 311 Cb -0.39 -1.92 -0.07 0.00 1.28 0.00 0.00 41.25 40.14 3k1q s ASN 311 CO 0.47 0.37 1.15 -3.20 -2.04 0.00 0.00 177.10 173.85 3k1q n ASN 312 N 1.78 1.80 -1.10 3.54 5.15 -1.22 -4.59 115.26 120.62 3k1q n ASN 312 Ca -0.18 0.98 0.00 0.00 -0.60 0.00 0.00 54.58 54.78 3k1q n ASN 312 Cb 0.54 -1.46 0.00 0.00 -0.53 0.00 0.00 39.78 38.34 3k1q n ASN 312 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 3k1q n SER 313 N -0.29 -1.95 0.00 1.20 7.64 -1.26 -4.94 113.62 114.02 3k1q n SER 313 Ca 0.10 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.98 3k1q n SER 313 Cb 0.43 -0.98 0.00 0.00 -1.01 0.00 0.00 64.21 62.65 3k1q n SER 313 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3k1q n SER 314 N 0.00 0.00 -1.06 6.43 3.41 -1.26 -5.03 113.62 116.11 3k1q n SER 314 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3k1q n SER 314 Cb 0.00 0.20 0.00 0.00 -0.26 0.00 0.00 64.21 64.15 3k1q n SER 314 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3k1q n LEU 315 N -1.89 -1.42 -4.18 1.04 4.77 -0.49 -4.99 117.00 109.84 3k1q n LEU 315 Ca 0.00 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.58 3k1q n LEU 315 Cb 0.00 -0.71 -0.09 0.00 -2.33 0.00 0.00 43.42 40.29 3k1q n LEU 315 CO 0.00 0.00 -0.01 -0.63 -1.33 0.00 0.00 177.39 175.42 3k1q s ILE 316 N -0.16 4.04 0.00 -0.08 1.01 -0.93 -4.86 121.20 120.22 3k1q s ILE 316 Ca 0.00 -2.10 0.00 0.00 0.00 0.00 0.00 60.65 58.55 3k1q s ILE 316 Cb 0.00 -3.66 0.00 0.00 0.01 0.00 0.00 42.46 38.81 3k1q s ILE 316 CO 0.00 -0.80 0.00 0.54 0.00 0.00 0.00 174.94 174.68 3k1q n ARG 317 N 4.52 0.00 -2.78 2.79 3.00 -1.26 -0.52 116.66 122.41 3k1q n ARG 317 Ca -0.02 0.00 -0.43 0.00 -0.01 0.00 0.00 57.85 57.39 3k1q n ARG 317 Cb 0.41 -0.15 -0.04 0.00 0.00 0.00 0.00 32.46 32.69 3k1q n ARG 317 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 3k1q s LYS 318 N 0.00 3.75 -0.13 5.56 2.47 -1.26 -1.72 119.74 128.41 3k1q s LYS 318 Ca 0.00 0.47 0.03 0.00 -1.56 0.00 0.00 55.97 54.91 3k1q s LYS 318 Cb 0.00 -3.85 0.01 0.00 -1.46 0.00 0.00 37.83 32.53 3k1q s LYS 318 CO 0.00 -1.08 -0.22 0.95 0.16 0.00 0.00 175.35 175.16 3k1q s THR 319 N 3.68 2.02 0.13 3.43 -4.23 -0.98 -5.02 115.64 114.66 3k1q s THR 319 Ca 0.39 -0.96 -0.33 0.00 -1.18 0.00 0.00 61.69 59.61 3k1q s THR 319 Cb -0.11 -1.78 -0.13 0.00 1.34 0.00 0.00 72.50 71.83 3k1q s THR 319 CO 0.22 0.54 1.70 -0.11 -0.54 0.00 0.00 174.62 176.44 3k1q n LEU 320 N 4.00 3.50 -0.05 4.79 7.94 -1.26 -2.69 117.00 133.22 3k1q n LEU 320 Ca -0.20 1.04 -0.05 0.00 -1.11 0.00 0.00 56.01 55.70 3k1q n LEU 320 Cb 0.52 -1.47 -0.10 0.00 0.53 0.00 0.00 43.42 42.90 3k1q n LEU 320 CO 0.27 -0.08 -0.87 0.35 -1.11 0.00 0.00 177.39 175.95 3k1q n THR 321 N 4.02 0.75 -3.98 1.96 -2.24 -0.52 -4.92 114.28 109.35 3k1q n THR 321 Ca 0.18 -0.49 -0.13 0.00 -2.27 0.00 0.00 64.05 61.34 3k1q n THR 321 Cb 0.32 -0.60 -0.02 0.00 -2.10 0.00 0.00 70.33 67.92 3k1q n THR 321 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k1q n TYR 322 N -2.40 -1.36 -1.73 4.78 9.36 -1.00 -5.00 117.16 119.81 3k1q n TYR 322 Ca -0.18 -2.02 -0.40 0.00 3.32 0.00 0.00 57.90 58.61 3k1q n TYR 322 Cb 0.84 0.49 -0.03 0.00 -0.63 0.00 0.00 39.34 40.02 3k1q n TYR 322 CO 0.00 0.00 0.00 -1.12 0.22 0.00 0.00 176.86 175.96 3k1q s SER 323 N -2.88 5.17 -1.39 2.98 0.01 -1.26 -1.73 113.70 114.60 3k1q s SER 323 Ca 0.25 1.29 -0.09 0.00 1.31 0.00 0.00 55.95 58.70 3k1q s SER 323 Cb -0.01 -2.51 0.06 0.00 0.21 0.00 0.00 66.02 63.77 3k1q s SER 323 CO 0.18 -2.28 0.60 0.61 0.41 0.00 0.00 173.24 172.76 3k1q n GLY 324 N 5.77 -0.49 3.00 3.44 0.00 -1.26 -4.98 105.19 110.67 3k1q n GLY 324 Ca 0.29 0.12 -0.16 0.00 0.00 0.00 0.00 46.02 46.27 3k1q n GLY 324 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k1q s ALA 325 N -3.05 0.57 -0.00 4.61 0.00 -0.71 -5.07 121.76 118.12 3k1q s ALA 325 Ca 0.44 -0.39 0.02 0.00 0.00 0.00 0.00 51.96 52.02 3k1q s ALA 325 Cb -0.22 -0.10 -0.01 0.00 0.00 0.00 0.00 23.12 22.79 3k1q s ALA 325 CO 0.54 0.11 -0.06 0.95 0.00 0.00 0.00 175.76 177.30 3k1q s THR 326 N -0.40 0.43 -0.02 0.00 -4.23 0.14 -1.44 115.64 110.12 3k1q s THR 326 Ca 0.00 -0.30 0.02 0.00 -1.18 0.00 0.00 61.69 60.24 3k1q s THR 326 Cb -0.04 -0.38 -0.00 0.00 1.34 0.00 0.00 72.50 73.42 3k1q s THR 326 CO -0.00 0.08 -0.08 -0.47 -0.54 0.00 0.00 174.62 173.61 3k1q s TYR 327 N -0.23 0.82 -0.65 3.99 5.04 -1.10 -3.22 117.35 122.01 3k1q s TYR 327 Ca 0.01 -0.18 -0.23 0.00 -2.44 0.00 0.00 57.07 54.23 3k1q s TYR 327 Cb -0.03 -0.57 0.06 0.00 0.35 0.00 0.00 41.96 41.77 3k1q s TYR 327 CO -0.00 -0.06 0.98 0.95 -1.34 0.00 0.00 175.55 176.08 3k1q s THR 328 N 0.05 4.29 0.21 4.34 -4.23 -1.26 -2.32 115.64 116.71 3k1q s THR 328 Ca -0.00 -0.19 0.30 0.00 -1.18 0.00 0.00 61.69 60.62 3k1q s THR 328 Cb -0.06 -4.68 0.33 0.00 1.34 0.00 0.00 72.50 69.43 3k1q s THR 328 CO 0.00 -1.43 1.98 1.62 -0.54 0.00 0.00 174.62 176.25 3k1q h VAL 329 N 5.98 0.28 -3.32 2.29 3.04 -1.52 -3.48 116.25 119.53 3k1q h VAL 329 Ca -0.28 -0.68 -0.38 0.00 -1.01 0.00 0.00 66.70 64.35 3k1q h VAL 329 Cb 1.07 1.53 -0.01 0.00 -2.01 0.00 0.00 31.29 31.87 3k1q h VAL 329 CO 1.17 0.09 -0.49 1.67 -1.01 0.00 0.00 177.57 179.00 3k1q n GLN 330 N -3.29 -2.04 -1.45 4.17 -0.06 0.32 -4.38 117.38 110.66 3k1q n GLN 330 Ca -0.00 0.91 -0.46 0.00 -2.00 0.00 0.00 57.00 55.44 3k1q n GLN 330 Cb 0.32 -5.58 -0.10 0.00 -4.06 0.00 0.00 30.24 20.82 3k1q n GLN 330 CO 0.00 0.00 0.00 -0.11 -0.20 0.00 0.00 177.06 176.75 3k1q n LEU 331 N -3.05 1.32 0.00 1.69 7.94 -0.19 -3.93 117.00 120.78 3k1q n LEU 331 Ca -0.21 0.21 0.00 0.00 -1.11 0.00 0.00 56.01 54.89 3k1q n LEU 331 Cb 0.67 -1.15 0.00 0.00 0.53 0.00 0.00 43.42 43.47 3k1q n LEU 331 CO 0.28 -0.89 0.00 0.61 -1.11 0.00 0.00 177.39 176.27 3k1q n GLY 332 N 6.59 0.73 3.56 -3.96 0.00 -1.26 -1.40 105.19 109.46 3k1q n GLY 332 Ca 0.51 0.41 -0.23 0.00 0.00 0.00 0.00 46.02 46.71 3k1q n GLY 332 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3k1q s PRO 333 N 1.97 2.01 -1.22 1.61 0.04 -1.26 -3.46 135.00 134.70 3k1q s PRO 333 Ca 0.00 0.44 -0.05 0.00 0.04 0.00 0.00 61.00 61.43 3k1q s PRO 333 Cb 0.00 -4.79 0.01 0.00 0.04 0.00 0.00 34.50 29.75 3k1q s PRO 333 CO 0.00 -3.85 1.04 0.41 0.04 0.00 0.00 177.00 174.65 3k1q n GLY 334 N 6.60 -0.40 3.56 0.56 0.00 -1.26 -4.69 105.19 109.56 3k1q n GLY 334 Ca 0.41 0.15 -0.17 0.00 0.00 0.00 0.00 46.02 46.40 3k1q n GLY 334 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3k1q s PRO 335 N -5.82 1.81 2.69 1.61 0.02 -1.26 -4.74 135.00 129.32 3k1q s PRO 335 Ca 0.31 0.41 0.00 0.00 0.02 0.00 0.00 61.00 61.73 3k1q s PRO 335 Cb -0.14 -4.82 0.00 0.00 0.02 0.00 0.00 34.50 29.57 3k1q s PRO 335 CO 0.69 -4.18 0.00 2.41 -0.33 0.00 0.00 177.00 175.59 3k1q n THR 336 N 8.57 0.00 -3.62 0.99 -1.04 -1.24 -4.63 114.28 113.31 3k1q n THR 336 Ca 0.45 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 62.33 3k1q n THR 336 Cb 0.45 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.90 3k1q n THR 336 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 3k1q s ARG 337 N 0.00 0.99 -0.36 -2.82 1.81 -1.26 -4.77 118.95 112.53 3k1q s ARG 337 Ca 0.00 -0.35 -0.08 0.00 -1.72 0.00 0.00 55.73 53.59 3k1q s ARG 337 Cb 0.00 0.45 0.05 0.00 -0.45 0.00 0.00 34.95 34.99 3k1q s ARG 337 CO 0.00 -0.36 0.16 0.14 -0.68 0.00 0.00 175.30 174.56 3k1q s VAL 338 N -2.63 4.00 -0.44 3.52 -7.23 0.18 -4.28 120.40 113.53 3k1q s VAL 338 Ca -0.04 -1.16 -0.27 0.00 -1.81 0.00 0.00 61.98 58.70 3k1q s VAL 338 Cb -0.00 -3.31 0.02 0.00 0.56 0.00 0.00 36.38 33.65 3k1q s VAL 338 CO -0.03 -0.27 1.00 -0.63 -0.31 0.00 0.00 175.10 174.86 3k1q s ILE 339 N 1.43 4.41 -1.24 -0.62 1.09 0.12 -1.98 121.20 124.40 3k1q s ILE 339 Ca 0.00 1.05 -0.15 0.00 -1.10 0.00 0.00 60.65 60.46 3k1q s ILE 339 Cb -0.20 -4.47 0.14 0.00 -1.06 0.00 0.00 42.46 36.87 3k1q s ILE 339 CO 0.03 -0.81 1.56 0.47 -0.10 0.00 0.00 174.94 176.09 3k1q n ASP 340 N 7.28 5.12 -2.06 3.58 8.00 0.17 -2.48 116.55 136.17 3k1q n ASP 340 Ca 0.09 -2.97 -0.22 0.00 0.71 0.00 0.00 54.79 52.40 3k1q n ASP 340 Cb 0.48 -1.61 0.14 0.00 -0.02 0.00 0.00 41.12 40.11 3k1q n ASP 340 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 3k1q n MET 341 N 6.26 2.12 -2.65 -1.24 2.81 -0.66 -4.56 117.12 119.20 3k1q n MET 341 Ca 0.40 -2.57 -0.42 0.00 -1.81 0.00 0.00 57.70 53.31 3k1q n MET 341 Cb 0.43 -2.01 -0.03 0.00 -0.71 0.00 0.00 33.22 30.90 3k1q n MET 341 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 3k1q s ASN 342 N -0.98 6.51 -1.15 7.83 2.47 -1.00 -4.09 114.94 124.52 3k1q s ASN 342 Ca 0.49 -1.53 -0.10 0.00 0.42 0.00 0.00 52.86 52.14 3k1q s ASN 342 Cb 0.41 -2.53 -0.03 0.00 -1.45 0.00 0.00 41.25 37.65 3k1q s ASN 342 CO 0.07 -1.43 0.82 0.00 -3.72 0.00 0.00 177.10 172.85 3k1q n ALA 343 N 8.37 -2.39 -3.02 1.71 0.00 -1.26 -4.94 120.51 118.98 3k1q n ALA 343 Ca 0.29 -0.09 -0.35 0.00 0.00 0.00 0.00 53.44 53.29 3k1q n ALA 343 Cb 0.50 -4.14 -0.02 0.00 0.00 0.00 0.00 19.45 15.79 3k1q n ALA 343 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3k1q n MET 344 N -3.88 3.90 0.00 0.00 2.81 -1.26 -4.85 117.12 113.84 3k1q n MET 344 Ca -0.14 -4.69 0.00 0.00 -1.81 0.00 0.00 57.70 51.06 3k1q n MET 344 Cb 0.62 -2.37 0.00 0.00 -0.71 0.00 0.00 33.22 30.76 3k1q n MET 344 CO 0.00 0.00 0.00 0.44 1.51 0.00 0.00 175.97 177.92 3k1q n ILE 345 N 0.52 0.00 -3.84 2.02 -6.64 -1.26 -4.72 119.36 105.44 3k1q n ILE 345 Ca 0.33 0.00 -0.36 0.00 -1.77 0.00 0.00 62.75 60.95 3k1q n ILE 345 Cb 0.35 0.00 -0.13 0.00 -1.44 0.00 0.00 39.64 38.42 3k1q n ILE 345 CO 0.00 0.00 0.00 -1.81 -1.77 0.00 0.00 176.55 172.97 3k1q s ASP 346 N -4.00 4.70 0.22 7.28 1.11 -1.26 -4.48 116.67 120.24 3k1q s ASP 346 Ca 0.00 -0.50 0.04 0.00 0.18 0.00 0.00 52.55 52.27 3k1q s ASP 346 Cb 0.00 -1.81 -0.05 0.00 1.07 0.00 0.00 42.92 42.13 3k1q s ASP 346 CO 0.00 -0.08 -0.02 -0.44 1.18 0.00 0.00 175.17 175.81 3k1q s SER 347 N 1.49 1.81 -0.24 0.27 0.01 -0.91 -1.54 113.70 114.59 3k1q s SER 347 Ca 0.04 -1.18 0.02 0.00 1.31 0.00 0.00 55.95 56.14 3k1q s SER 347 Cb -0.15 0.01 0.06 0.00 0.21 0.00 0.00 66.02 66.14 3k1q s SER 347 CO -0.00 -0.48 -0.10 -0.69 0.41 0.00 0.00 173.24 172.37 3k1q s VAL 348 N -3.41 1.96 -1.14 3.43 1.01 0.66 -2.09 120.40 120.82 3k1q s VAL 348 Ca 0.26 -1.43 -0.22 0.00 0.00 0.00 0.00 61.98 60.59 3k1q s VAL 348 Cb 0.05 -2.08 -0.03 0.00 0.00 0.00 0.00 36.38 34.32 3k1q s VAL 348 CO 0.07 0.01 1.85 -0.76 0.00 0.00 0.00 175.10 176.27 3k1q s LEU 349 N 1.21 3.29 -1.05 3.92 1.43 -0.80 -1.86 118.68 124.82 3k1q s LEU 349 Ca -0.07 -1.63 -0.22 0.00 -1.03 0.00 0.00 54.13 51.18 3k1q s LEU 349 Cb -0.19 -2.58 0.03 0.00 0.03 0.00 0.00 46.19 43.48 3k1q s LEU 349 CO -0.06 -2.45 1.60 -0.89 0.23 0.00 0.00 176.35 174.78 3k1q s THR 350 N 8.77 3.85 -0.25 5.49 2.01 -0.73 -1.66 115.64 133.12 3k1q s THR 350 Ca 0.63 -0.88 -0.21 0.00 0.31 0.00 0.00 61.69 61.54 3k1q s THR 350 Cb -0.01 -4.88 -0.02 0.00 0.01 0.00 0.00 72.50 67.61 3k1q s THR 350 CO 0.07 -1.74 0.68 -0.22 -0.69 0.00 0.00 174.62 172.72 3k1q s LEU 351 N 6.01 4.07 -0.42 4.42 2.96 -0.21 0.13 118.68 135.63 3k1q s LEU 351 Ca 0.52 0.79 0.04 0.00 -0.22 0.00 0.00 54.13 55.26 3k1q s LEU 351 Cb -0.01 -2.94 0.11 0.00 0.50 0.00 0.00 46.19 43.86 3k1q s LEU 351 CO -0.05 -0.41 0.15 -1.81 -1.32 0.00 0.00 176.35 172.92 3k1q s ASP 352 N 1.44 4.51 -0.22 3.68 1.01 0.16 -0.16 116.67 127.08 3k1q s ASP 352 Ca 0.28 -2.55 -0.09 0.00 0.71 0.00 0.00 52.55 50.90 3k1q s ASP 352 Cb -0.15 -1.60 -0.04 0.00 1.01 0.00 0.00 42.92 42.14 3k1q s ASP 352 CO 0.08 -0.31 0.11 -0.69 0.21 0.00 0.00 175.17 174.57 3k1q s VAL 353 N 0.36 4.96 0.05 -1.27 1.01 -0.88 -0.82 120.40 123.80 3k1q s VAL 353 Ca 0.14 0.04 -0.22 0.00 0.00 0.00 0.00 61.98 61.94 3k1q s VAL 353 Cb -0.22 -3.29 0.05 0.00 0.00 0.00 0.00 36.38 32.92 3k1q s VAL 353 CO -0.05 0.38 0.51 -0.55 0.00 0.00 0.00 175.10 175.40 3k1q s SER 354 N 0.95 -0.43 0.00 3.32 0.15 -1.26 0.44 113.70 116.87 3k1q s SER 354 Ca 0.06 0.17 0.00 0.00 0.70 0.00 0.00 55.95 56.87 3k1q s SER 354 Cb -0.14 0.49 0.00 0.00 -1.71 0.00 0.00 66.02 64.66 3k1q s SER 354 CO 0.03 -0.72 0.00 0.61 1.20 0.00 0.00 173.24 174.36 3k1q n GLY 355 N 0.41 2.11 3.59 9.45 0.00 -0.03 -4.88 105.19 115.84 3k1q n GLY 355 Ca -0.18 -0.24 -0.41 0.00 0.00 0.00 0.00 46.02 45.18 3k1q n GLY 355 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3k1q s THR 356 N 0.00 3.03 0.00 2.61 2.01 -1.26 -1.68 115.64 120.35 3k1q s THR 356 Ca 0.00 0.03 0.00 0.00 0.31 0.00 0.00 61.69 62.03 3k1q s THR 356 Cb 0.00 -3.04 0.00 0.00 0.01 0.00 0.00 72.50 69.47 3k1q s THR 356 CO 0.00 -0.03 0.00 0.00 -0.69 0.00 0.00 174.62 173.90 3k1q n ILE 357 N 7.80 0.00 -3.30 1.82 0.13 -1.25 -4.60 119.36 119.97 3k1q n ILE 357 Ca 0.31 0.00 -0.19 0.00 -1.10 0.00 0.00 62.75 61.77 3k1q n ILE 357 Cb 0.47 -0.50 0.02 0.00 -0.84 0.00 0.00 39.64 38.80 3k1q n ILE 357 CO 0.00 0.00 0.00 0.18 2.80 0.00 0.00 176.55 179.53 3k1q n LEU 358 N -2.27 -3.50 -4.65 9.51 4.77 -1.26 -4.82 117.00 114.78 3k1q n LEU 358 Ca 0.00 0.19 -0.41 0.00 -0.03 0.00 0.00 56.01 55.76 3k1q n LEU 358 Cb 0.30 -1.77 0.01 0.00 -2.33 0.00 0.00 43.42 39.63 3k1q n LEU 358 CO 0.00 -0.88 0.72 -2.65 -1.33 0.00 0.00 177.39 173.25 3k1q n PRO 359 N 0.48 1.58 -1.49 3.23 -0.02 -1.26 -4.79 135.00 132.73 3k1q n PRO 359 Ca -0.04 0.57 -0.56 0.00 -2.02 0.00 0.00 63.50 61.45 3k1q n PRO 359 Cb 0.56 -2.20 -0.09 0.00 -0.02 0.00 0.00 33.50 31.75 3k1q n PRO 359 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3k1q n TYR 360 N -0.44 1.64 0.00 6.00 0.53 -1.26 -4.83 117.16 118.79 3k1q n TYR 360 Ca 0.08 0.53 0.00 0.00 -1.02 0.00 0.00 57.90 57.49 3k1q n TYR 360 Cb 0.40 -2.43 0.00 0.00 -1.03 0.00 0.00 39.34 36.27 3k1q n TYR 360 CO 0.00 0.00 0.00 -0.25 -1.02 0.00 0.00 176.86 175.59 3k1q n ASP 361 N 7.59 0.00 -2.82 7.72 10.43 -1.26 -2.07 116.55 136.14 3k1q n ASP 361 Ca 0.40 0.00 -0.11 0.00 2.57 0.00 0.00 54.79 57.65 3k1q n ASP 361 Cb 0.11 0.00 0.03 0.00 1.84 0.00 0.00 41.12 43.11 3k1q n ASP 361 CO 0.00 0.00 0.00 1.07 -1.07 0.00 0.00 177.20 177.20 3k1q n THR 362 N 0.00 -0.11 -4.68 -3.53 5.66 -1.26 -5.12 114.28 105.25 3k1q n THR 362 Ca 0.00 -1.93 -0.33 0.00 -3.05 0.00 0.00 64.05 58.74 3k1q n THR 362 Cb 0.00 0.95 -0.13 0.00 -1.55 0.00 0.00 70.33 69.60 3k1q n THR 362 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 175.07 172.22 3k1q s ASN 363 N -1.60 4.29 0.00 1.09 0.01 -0.88 -5.00 114.94 112.85 3k1q s ASN 363 Ca 0.32 -0.23 0.00 0.00 -0.71 0.00 0.00 52.86 52.24 3k1q s ASN 363 Cb 0.23 -1.52 0.00 0.00 0.41 0.00 0.00 41.25 40.36 3k1q s ASN 363 CO -0.21 0.21 0.88 -0.81 -1.51 0.00 0.00 177.10 175.66 3k1q n PRO 364 N 3.25 0.55 -1.89 -0.60 -0.04 -1.26 -3.37 135.00 131.64 3k1q n PRO 364 Ca -0.18 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.03 3k1q n PRO 364 Cb 0.53 -1.22 0.03 0.00 -0.04 0.00 0.00 33.50 32.79 3k1q n PRO 364 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3k1q n ASP 365 N 1.32 5.38 -0.07 3.54 8.00 -1.26 -4.49 116.55 128.97 3k1q n ASP 365 Ca 0.00 -3.76 -0.17 0.00 0.71 0.00 0.00 54.79 51.57 3k1q n ASP 365 Cb 0.28 -0.45 -0.13 0.00 -0.02 0.00 0.00 41.12 40.80 3k1q n ASP 365 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3k1q h LEU 366 N 2.14 0.03 -9.89 0.64 3.38 -1.93 -3.39 115.31 106.28 3k1q h LEU 366 Ca 0.41 -0.84 -0.52 0.00 0.09 0.00 0.00 57.88 57.02 3k1q h LEU 366 Cb 1.41 -0.01 0.06 0.00 0.09 0.00 0.00 40.66 42.22 3k1q h LEU 366 CO 0.90 1.19 0.61 -0.94 0.09 0.00 0.00 178.44 180.29 3k1q s SER 367 N -6.48 6.69 0.00 -0.43 1.04 -1.26 -4.35 113.70 108.91 3k1q s SER 367 Ca -0.22 2.63 0.00 0.00 0.48 0.00 0.00 55.95 58.84 3k1q s SER 367 Cb 0.00 -2.64 0.00 0.00 0.10 0.00 0.00 66.02 63.48 3k1q s SER 367 CO 0.67 -0.58 0.00 0.35 0.98 0.00 0.00 173.24 174.66 3k1q n THR 368 N 0.63 0.00 -3.79 2.02 -2.24 -1.26 -4.93 114.28 104.70 3k1q n THR 368 Ca 0.01 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.42 3k1q n THR 368 Cb 0.43 0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 68.53 3k1q n THR 368 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3k1q s SER 369 N -2.11 5.08 0.02 3.42 1.04 -1.14 -3.83 113.70 116.17 3k1q s SER 369 Ca 0.00 -0.95 0.02 0.00 0.48 0.00 0.00 55.95 55.49 3k1q s SER 369 Cb 0.00 -1.83 -0.04 0.00 0.10 0.00 0.00 66.02 64.25 3k1q s SER 369 CO 0.00 -0.24 0.03 0.68 0.98 0.00 0.00 173.24 174.68 3k1q s VAL 370 N 1.42 4.31 -0.12 5.02 -7.23 -0.72 -4.74 120.40 118.34 3k1q s VAL 370 Ca -0.00 -0.63 -0.29 0.00 -1.81 0.00 0.00 61.98 59.25 3k1q s VAL 370 Cb -0.18 -2.97 -0.05 0.00 0.56 0.00 0.00 36.38 33.73 3k1q s VAL 370 CO 0.01 0.31 1.85 -2.84 -0.31 0.00 0.00 175.10 174.12 3k1q s PRO 371 N -1.80 3.81 0.14 4.82 0.02 -1.26 -0.04 135.00 140.68 3k1q s PRO 371 Ca 0.22 2.08 0.03 0.00 0.02 0.00 0.00 61.00 63.35 3k1q s PRO 371 Cb -0.12 -4.14 -0.04 0.00 0.02 0.00 0.00 34.50 30.22 3k1q s PRO 371 CO 0.14 -1.31 -0.06 0.00 -0.33 0.00 0.00 177.00 175.44 3k1q s ALA 372 N 5.48 1.25 -0.13 -1.55 0.00 0.24 -4.74 121.76 122.31 3k1q s ALA 372 Ca 0.83 -1.47 -0.01 0.00 0.00 0.00 0.00 51.96 51.31 3k1q s ALA 372 Cb -0.33 0.22 -0.02 0.00 0.00 0.00 0.00 23.12 22.99 3k1q s ALA 372 CO 0.34 -0.21 -0.10 0.12 0.00 0.00 0.00 175.76 175.91 3k1q s PHE 373 N -3.52 2.88 -0.13 0.00 5.36 0.20 -0.62 117.98 122.15 3k1q s PHE 373 Ca 0.17 -0.50 0.01 0.00 -0.96 0.00 0.00 56.93 55.65 3k1q s PHE 373 Cb 0.05 -1.87 0.02 0.00 -0.34 0.00 0.00 43.02 40.88 3k1q s PHE 373 CO -0.01 -0.12 -0.16 0.08 -1.46 0.00 0.00 175.22 173.55 3k1q s VAL 374 N 0.27 1.59 0.16 3.12 1.01 -0.42 -0.44 120.40 125.70 3k1q s VAL 374 Ca -0.07 -0.68 -0.21 0.00 0.00 0.00 0.00 61.98 61.02 3k1q s VAL 374 Cb -0.15 -1.46 -0.08 0.00 0.00 0.00 0.00 36.38 34.69 3k1q s VAL 374 CO 0.05 0.46 0.69 -0.22 0.00 0.00 0.00 175.10 176.08 3k1q s LEU 375 N 1.16 4.48 -0.17 3.92 2.96 0.75 0.70 118.68 132.49 3k1q s LEU 375 Ca -0.02 1.44 -0.01 0.00 -0.22 0.00 0.00 54.13 55.32 3k1q s LEU 375 Cb -0.14 -3.28 -0.01 0.00 0.50 0.00 0.00 46.19 43.26 3k1q s LEU 375 CO -0.05 0.17 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.40 3k1q s ILE 376 N -1.27 2.99 -0.65 6.68 1.01 0.26 -1.37 121.20 128.83 3k1q s ILE 376 Ca 0.36 -0.65 0.05 0.00 0.00 0.00 0.00 60.65 60.42 3k1q s ILE 376 Cb -0.20 -2.30 0.21 0.00 0.01 0.00 0.00 42.46 40.18 3k1q s ILE 376 CO 0.22 0.49 0.60 0.00 0.00 0.00 0.00 174.94 176.25 3k1q n GLN 377 N 4.21 2.01 -4.42 2.79 6.02 -0.55 -0.52 117.38 126.92 3k1q n GLN 377 Ca -0.19 -4.46 -0.20 0.00 -0.01 0.00 0.00 57.00 52.14 3k1q n GLN 377 Cb 0.52 -2.20 -0.15 0.00 1.02 0.00 0.00 30.24 29.42 3k1q n GLN 377 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 3k1q s THR 378 N -1.82 0.81 -2.00 5.09 -1.32 -0.53 -2.24 115.64 113.62 3k1q s THR 378 Ca 0.32 -0.41 0.03 0.00 -1.21 0.00 0.00 61.69 60.42 3k1q s THR 378 Cb 0.05 -0.69 0.08 0.00 -1.51 0.00 0.00 72.50 70.43 3k1q s THR 378 CO -0.10 0.24 0.84 -1.20 -2.21 0.00 0.00 174.62 172.18 3k1q n SER 379 N 3.00 0.00 -4.26 8.08 7.64 -1.26 -2.93 113.62 123.88 3k1q n SER 379 Ca -0.15 -1.35 -0.40 0.00 1.01 0.00 0.00 58.87 57.98 3k1q n SER 379 Cb 0.56 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.66 3k1q n SER 379 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3k1q s VAL 380 N -2.00 4.18 -0.02 0.44 1.01 -1.26 -4.92 120.40 117.83 3k1q s VAL 380 Ca 0.04 -1.41 -0.35 0.00 0.00 0.00 0.00 61.98 60.27 3k1q s VAL 380 Cb 0.02 -3.56 -0.13 0.00 0.00 0.00 0.00 36.38 32.71 3k1q s VAL 380 CO 0.03 -0.50 1.74 -2.65 0.00 0.00 0.00 175.10 173.72 3k1q n PRO 381 N 4.90 2.01 -0.00 2.72 -0.02 -1.26 -4.79 135.00 138.56 3k1q n PRO 381 Ca -0.10 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 3k1q n PRO 381 Cb 0.43 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.38 3k1q n PRO 381 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3k1q n ILE 382 N 4.40 -0.00 0.29 4.25 2.08 -1.26 0.12 119.36 129.23 3k1q n ILE 382 Ca 0.21 0.00 0.14 0.00 0.56 0.00 0.00 62.75 63.67 3k1q n ILE 382 Cb 0.27 -0.01 0.67 0.00 -0.75 0.00 0.00 39.64 39.83 3k1q n ILE 382 CO 0.00 0.00 0.00 1.56 0.56 0.00 0.00 176.55 178.67 3k1q h GLN 383 N 0.00 0.00 -0.00 0.38 7.50 -1.97 0.46 115.11 121.48 3k1q h GLN 383 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 3k1q h GLN 383 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.53 3k1q h GLN 383 CO -0.00 0.00 -0.39 1.04 -1.50 0.00 0.00 178.83 177.97 3k1q n GLN 384 N -2.52 0.03 -2.79 1.46 3.00 0.12 -4.82 117.38 111.86 3k1q n GLN 384 Ca -0.00 -0.01 -0.43 0.00 -0.01 0.00 0.00 57.00 56.55 3k1q n GLN 384 Cb 0.15 -1.50 -0.02 0.00 0.00 0.00 0.00 30.24 28.87 3k1q n GLN 384 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 3k1q s VAL 385 N -2.98 4.48 -0.15 5.09 1.01 0.15 -4.77 120.40 123.23 3k1q s VAL 385 Ca 0.12 -1.53 0.14 0.00 0.00 0.00 0.00 61.98 60.71 3k1q s VAL 385 Cb 0.18 -4.92 -0.20 0.00 0.00 0.00 0.00 36.38 31.44 3k1q s VAL 385 CO 0.66 -1.70 0.07 0.35 0.00 0.00 0.00 175.10 174.47 3k1q n THR 386 N 5.86 1.03 -4.54 3.92 -2.24 -1.26 -4.98 114.28 112.08 3k1q n THR 386 Ca 0.31 -0.65 -0.25 0.00 -2.27 0.00 0.00 64.05 61.19 3k1q n THR 386 Cb 0.48 -0.56 -0.11 0.00 -2.10 0.00 0.00 70.33 68.05 3k1q n THR 386 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3k1q s THR 387 N -2.41 1.60 0.43 4.28 -4.23 -1.26 -4.54 115.64 109.52 3k1q s THR 387 Ca -0.08 -2.00 0.22 0.00 -1.18 0.00 0.00 61.69 58.65 3k1q s THR 387 Cb 0.05 -2.90 0.42 0.00 1.34 0.00 0.00 72.50 71.41 3k1q s THR 387 CO 0.64 -0.00 1.80 0.00 -0.54 0.00 0.00 174.62 176.52 3k1q h ALA 388 N 1.94 2.41 -0.99 3.99 0.00 -1.96 -2.28 119.26 122.37 3k1q h ALA 388 Ca -0.42 0.03 0.15 0.00 0.00 0.00 0.00 54.91 54.66 3k1q h ALA 388 Cb 1.24 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.97 3k1q h ALA 388 CO 0.75 -0.78 0.61 0.00 0.00 0.00 0.00 179.25 179.83 3k1q h ALA 389 N 1.58 1.54 -0.76 0.00 0.00 -2.00 -2.45 119.26 117.17 3k1q h ALA 389 Ca 0.56 0.05 0.10 0.00 0.00 0.00 0.00 54.91 55.61 3k1q h ALA 389 Cb 1.59 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 19.15 3k1q h ALA 389 CO -0.21 0.10 0.39 -0.91 0.00 0.00 0.00 179.25 178.63 3k1q h ASN 390 N 0.88 0.53 -1.24 0.00 4.21 -1.80 -3.34 115.58 114.82 3k1q h ASN 390 Ca 0.52 0.06 0.36 0.00 1.21 0.00 0.00 56.30 58.45 3k1q h ASN 390 Cb 0.64 -0.03 -0.08 0.00 -1.12 0.00 0.00 38.32 37.73 3k1q h ASN 390 CO -0.31 0.29 0.85 0.16 -1.29 0.00 0.00 177.43 177.13 3k1q h ILE 391 N 0.66 0.36 0.00 2.81 -0.00 -1.57 -3.43 117.51 116.33 3k1q h ILE 391 Ca 0.37 -0.05 0.00 0.00 -0.00 0.00 0.00 64.86 65.19 3k1q h ILE 391 Cb 0.39 0.21 0.00 0.00 -0.00 0.00 0.00 36.82 37.43 3k1q h ILE 391 CO -0.27 0.02 0.00 0.41 -0.00 0.00 0.00 178.15 178.31 3k1q n THR 392 N -4.38 0.00 -4.08 0.16 -1.04 -1.26 -4.07 114.28 99.62 3k1q n THR 392 Ca 0.29 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.98 3k1q n THR 392 Cb 1.24 0.00 -0.15 0.00 -1.82 0.00 0.00 70.33 69.60 3k1q n THR 392 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3k1q s ALA 393 N -1.00 2.48 -0.54 2.41 0.00 -0.95 -5.03 121.76 119.13 3k1q s ALA 393 Ca 0.00 -1.61 -0.19 0.00 0.00 0.00 0.00 51.96 50.16 3k1q s ALA 393 Cb 0.00 -1.47 0.08 0.00 0.00 0.00 0.00 23.12 21.72 3k1q s ALA 393 CO 0.00 -0.98 0.65 0.96 0.00 0.00 0.00 175.76 176.39 3k1q s ILE 394 N 1.16 4.87 -0.30 0.00 -4.36 -1.26 -1.49 121.20 119.82 3k1q s ILE 394 Ca -0.05 -0.71 -0.06 0.00 -0.26 0.00 0.00 60.65 59.57 3k1q s ILE 394 Cb -0.18 -4.37 0.02 0.00 1.25 0.00 0.00 42.46 39.18 3k1q s ILE 394 CO -0.07 -0.92 0.07 0.42 0.24 0.00 0.00 174.94 174.68 3k1q s THR 395 N 2.62 3.77 -0.42 8.37 -4.23 -0.47 -5.00 115.64 120.27 3k1q s THR 395 Ca 0.13 -0.86 -0.27 0.00 -1.18 0.00 0.00 61.69 59.51 3k1q s THR 395 Cb -0.21 -2.99 -0.04 0.00 1.34 0.00 0.00 72.50 70.60 3k1q s THR 395 CO 0.09 0.02 2.03 -0.69 -0.54 0.00 0.00 174.62 175.54 3k1q s VAL 396 N 1.45 3.26 -0.25 2.29 1.01 -1.26 -0.18 120.40 126.72 3k1q s VAL 396 Ca 0.01 0.22 -0.16 0.00 0.00 0.00 0.00 61.98 62.05 3k1q s VAL 396 Cb -0.18 -3.47 -0.15 0.00 0.00 0.00 0.00 36.38 32.58 3k1q s VAL 396 CO 0.02 -0.39 -0.14 0.52 0.00 0.00 0.00 175.10 175.11 3k1q n VAL 397 N 7.56 1.54 -3.79 2.92 0.31 -0.57 -4.85 118.33 121.45 3k1q n VAL 397 Ca 0.27 -0.28 -0.33 0.00 -0.01 0.00 0.00 64.34 63.99 3k1q n VAL 397 Cb 0.50 -1.91 -0.10 0.00 -0.91 0.00 0.00 33.84 31.41 3k1q n VAL 397 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 3k1q s SER 398 N -7.23 5.16 0.00 4.52 0.01 0.42 -4.72 113.70 111.86 3k1q s SER 398 Ca -0.35 -3.43 0.00 0.00 1.31 0.00 0.00 55.95 53.48 3k1q s SER 398 Cb 0.11 -1.77 0.00 0.00 0.21 0.00 0.00 66.02 64.58 3k1q s SER 398 CO 0.54 -0.21 0.00 0.00 0.41 0.00 0.00 173.24 173.98 3k1q n ALA 399 N 2.64 0.35 -0.95 1.44 0.00 -1.26 -0.62 120.51 122.10 3k1q n ALA 399 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 3k1q n ALA 399 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.81 3k1q n ALA 399 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k1q n ALA 400 N -0.21 0.00 -2.20 0.00 0.00 -1.26 -4.39 120.51 112.45 3k1q n ALA 400 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 3k1q n ALA 400 Cb 0.01 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.43 3k1q n ALA 400 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3k1q s GLY 401 N 0.00 0.42 -1.19 0.00 0.00 -1.26 -4.90 107.32 100.39 3k1q s GLY 401 Ca 0.00 -0.95 -0.07 0.00 0.00 0.00 0.00 44.72 43.70 3k1q s GLY 401 CO 0.00 3.18 1.72 0.00 0.00 0.00 0.00 173.10 178.00 3k1q n ALA 402 N 11.76 5.35 -2.00 3.20 0.00 -1.26 -4.42 120.51 133.14 3k1q n ALA 402 Ca 0.17 -4.53 0.00 0.00 0.00 0.00 0.00 53.44 49.08 3k1q n ALA 402 Cb 0.51 -2.69 0.00 0.00 0.00 0.00 0.00 19.45 17.27 3k1q n ALA 402 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3k1q n SER 403 N 2.61 0.00 0.00 0.00 3.41 -1.26 -4.63 113.62 113.75 3k1q n SER 403 Ca 0.34 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.95 3k1q n SER 403 Cb 0.34 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 3k1q n SER 403 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3k1q n ALA 404 N -3.00 0.00 -3.28 7.33 0.00 -1.26 -2.90 120.51 117.40 3k1q n ALA 404 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 3k1q n ALA 404 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 3k1q n ALA 404 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 3k1q s ILE 405 N -2.00 0.01 -0.54 0.00 1.10 -1.26 -4.37 121.20 114.14 3k1q s ILE 405 Ca 0.00 -0.11 -0.28 0.00 -0.51 0.00 0.00 60.65 59.75 3k1q s ILE 405 Cb 0.00 -0.58 -0.29 0.00 0.15 0.00 0.00 42.46 41.73 3k1q s ILE 405 CO 0.00 -0.06 1.83 0.59 -2.11 0.00 0.00 174.94 175.19 3k1q n ASN 406 N 2.42 1.36 0.13 4.50 4.13 -1.26 -4.64 115.26 121.89 3k1q n ASN 406 Ca -0.15 -2.52 0.13 0.00 1.68 0.00 0.00 54.58 53.71 3k1q n ASN 406 Cb 0.57 -1.09 0.44 0.00 -1.54 0.00 0.00 39.78 38.16 3k1q n ASN 406 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 3k1q h LEU 407 N 19.44 0.00 -9.60 3.41 3.38 -1.98 -3.45 115.31 126.52 3k1q h LEU 407 Ca 0.17 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.61 3k1q h LEU 407 Cb 0.82 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.60 3k1q h LEU 407 CO 1.60 0.00 0.64 0.00 0.09 0.00 0.00 178.44 180.76 3k1q s ALA 408 N -3.21 3.50 -0.67 1.53 0.00 -1.26 -1.85 121.76 119.81 3k1q s ALA 408 Ca 0.08 1.03 -0.27 0.00 0.00 0.00 0.00 51.96 52.80 3k1q s ALA 408 Cb 0.11 -3.48 -0.24 0.00 0.00 0.00 0.00 23.12 19.51 3k1q s ALA 408 CO 0.53 -0.51 1.86 -0.89 0.00 0.00 0.00 175.76 176.76 3k1q n ILE 409 N 3.27 0.74 0.65 0.00 5.41 0.76 -4.72 119.36 125.47 3k1q n ILE 409 Ca 0.08 -0.70 0.13 0.00 1.00 0.00 0.00 62.75 63.25 3k1q n ILE 409 Cb 0.44 -2.10 0.34 0.00 -0.71 0.00 0.00 39.64 37.61 3k1q n ILE 409 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 3k1q n ASN 410 N 12.60 0.70 -0.33 4.38 5.03 -1.19 -3.31 115.26 133.15 3k1q n ASN 410 Ca 0.46 0.39 0.07 0.00 0.87 0.00 0.00 54.58 56.37 3k1q n ASN 410 Cb 0.44 -0.43 0.23 0.00 -1.02 0.00 0.00 39.78 39.01 3k1q n ASN 410 CO 0.00 0.00 0.00 0.58 -1.83 0.00 0.00 177.26 176.01 3k1q h VAL 411 N 0.00 0.83 -0.29 2.41 2.07 -1.84 -0.88 116.25 118.55 3k1q h VAL 411 Ca 0.00 -0.28 -0.17 0.00 0.82 0.00 0.00 66.70 67.07 3k1q h VAL 411 Cb 0.71 -0.06 -0.11 0.00 -1.52 0.00 0.00 31.29 30.32 3k1q h VAL 411 CO 0.00 0.15 -0.29 0.54 0.02 0.00 0.00 177.57 177.99 3k1q n ARG 412 N -4.74 1.96 0.00 1.57 3.00 -1.26 -4.85 116.66 112.34 3k1q n ARG 412 Ca 0.18 -3.35 0.00 0.00 -0.01 0.00 0.00 57.85 54.67 3k1q n ARG 412 Cb 0.39 -1.81 0.00 0.00 0.00 0.00 0.00 32.46 31.05 3k1q n ARG 412 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3k1q n GLY 413 N -1.08 2.87 3.77 -0.13 0.00 -0.34 -5.00 105.19 105.29 3k1q n GLY 413 Ca 0.30 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.92 3k1q n GLY 413 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3k1q s GLN 414 N -0.35 4.11 -0.81 1.61 1.11 -1.21 -4.94 119.66 119.19 3k1q s GLN 414 Ca 0.00 2.20 0.02 0.00 0.01 0.00 0.00 55.36 57.59 3k1q s GLN 414 Cb 0.00 -2.88 0.22 0.00 -1.01 0.00 0.00 33.01 29.34 3k1q s GLN 414 CO 0.00 -0.39 0.75 -0.35 0.01 0.00 0.00 175.29 175.31 3k1q n PRO 415 N 0.38 2.53 -4.00 2.91 -0.04 -1.26 -3.19 135.00 132.33 3k1q n PRO 415 Ca 0.02 -4.53 -0.31 0.00 -0.04 0.00 0.00 63.50 58.64 3k1q n PRO 415 Cb 0.43 -2.36 -0.15 0.00 -0.04 0.00 0.00 33.50 31.38 3k1q n PRO 415 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3k1q s ARG 416 N -1.73 1.73 -0.50 0.54 1.81 -1.23 -3.81 118.95 115.77 3k1q s ARG 416 Ca 0.29 -1.45 -0.37 0.00 -1.72 0.00 0.00 55.73 52.49 3k1q s ARG 416 Cb -0.01 -2.88 -0.15 0.00 -0.45 0.00 0.00 34.95 31.46 3k1q s ARG 416 CO -0.10 -0.74 2.26 0.34 -0.68 0.00 0.00 175.30 176.38 3k1q n PHE 417 N 4.44 1.29 -1.28 -0.53 -0.00 -0.68 -0.17 117.46 120.54 3k1q n PHE 417 Ca -0.06 0.45 -0.39 0.00 -0.00 0.00 0.00 57.45 57.45 3k1q n PHE 417 Cb 0.42 -2.44 0.02 0.00 -0.00 0.00 0.00 39.48 37.48 3k1q n PHE 417 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 3k1q n ASN 418 N 9.57 -3.28 -4.58 -2.13 4.05 -0.77 -0.85 115.26 117.27 3k1q n ASN 418 Ca 0.49 0.66 -0.41 0.00 0.45 0.00 0.00 54.58 55.77 3k1q n ASN 418 Cb 0.13 -0.90 -0.03 0.00 1.23 0.00 0.00 39.78 40.21 3k1q n ASN 418 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3k1q s MET 419 N -1.23 3.00 0.07 1.20 0.23 -1.26 -4.43 119.30 116.89 3k1q s MET 419 Ca 0.58 1.12 -0.15 0.00 -1.03 0.00 0.00 55.69 56.22 3k1q s MET 419 Cb -0.48 -4.29 -0.06 0.00 -1.53 0.00 0.00 34.83 28.47 3k1q s MET 419 CO 0.65 -2.26 0.49 -1.17 -2.03 0.00 0.00 175.02 170.69 3k1q s LEU 420 N 8.00 4.43 -0.44 0.18 2.96 0.17 -5.00 118.68 128.98 3k1q s LEU 420 Ca 0.76 1.04 -0.07 0.00 -0.22 0.00 0.00 54.13 55.64 3k1q s LEU 420 Cb -0.18 -2.91 0.11 0.00 0.50 0.00 0.00 46.19 43.70 3k1q s LEU 420 CO 0.28 0.23 0.28 -2.28 -1.32 0.00 0.00 176.35 173.54 3k1q s HIS 421 N -1.24 3.47 0.17 5.38 5.65 -1.26 -2.08 115.29 125.38 3k1q s HIS 421 Ca 0.30 -2.02 -0.09 0.00 0.25 0.00 0.00 55.06 53.50 3k1q s HIS 421 Cb -0.16 -3.31 -0.07 0.00 -1.18 0.00 0.00 32.58 27.86 3k1q s HIS 421 CO 0.17 -0.97 0.48 -0.51 -0.65 0.00 0.00 174.74 173.27 3k1q s LEU 422 N 1.29 4.24 -0.06 8.88 1.43 0.77 -4.98 118.68 130.26 3k1q s LEU 422 Ca 0.06 0.84 0.00 0.00 -1.03 0.00 0.00 54.13 54.01 3k1q s LEU 422 Cb -0.24 -3.42 0.02 0.00 0.03 0.00 0.00 46.19 42.58 3k1q s LEU 422 CO -0.02 0.02 -0.04 -1.10 0.23 0.00 0.00 176.35 175.45 3k1q s GLN 423 N -2.51 0.87 -0.43 1.70 -1.52 -1.26 -1.05 119.66 115.47 3k1q s GLN 423 Ca 0.42 -0.08 0.03 0.00 -1.95 0.00 0.00 55.36 53.79 3k1q s GLN 423 Cb -0.12 -0.96 0.12 0.00 -0.22 0.00 0.00 33.01 31.82 3k1q s GLN 423 CO 0.21 -0.15 0.16 0.00 -0.25 0.00 0.00 175.29 175.27 3k1q s ALA 424 N 1.24 2.89 -0.04 6.09 0.00 -0.66 -4.59 121.76 126.68 3k1q s ALA 424 Ca -0.06 -2.80 -0.13 0.00 0.00 0.00 0.00 51.96 48.97 3k1q s ALA 424 Cb -0.14 -2.02 -0.16 0.00 0.00 0.00 0.00 23.12 20.81 3k1q s ALA 424 CO -0.02 -1.87 1.01 0.25 0.00 0.00 0.00 175.76 175.14 3k1q n THR 425 N 3.73 0.00 -1.71 0.00 -2.24 -1.26 -1.91 114.28 110.88 3k1q n THR 425 Ca 0.04 -0.28 -0.18 0.00 -2.27 0.00 0.00 64.05 61.36 3k1q n THR 425 Cb 0.37 -0.86 -0.08 0.00 -2.10 0.00 0.00 70.33 67.65 3k1q n THR 425 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 3k1q s PHE 426 N 4.97 1.36 -0.43 4.78 5.36 -0.89 -4.87 117.98 128.27 3k1q s PHE 426 Ca 0.30 1.75 -0.06 0.00 -0.96 0.00 0.00 56.93 57.97 3k1q s PHE 426 Cb 0.06 -3.54 0.11 0.00 -0.34 0.00 0.00 43.02 39.30 3k1q s PHE 426 CO 0.15 -1.17 0.25 -1.21 -1.46 0.00 0.00 175.22 171.77 3k1q s GLU 427 N 8.16 2.24 0.62 10.12 0.41 -1.26 -2.15 118.70 136.84 3k1q s GLU 427 Ca 0.82 -1.74 0.28 0.00 -0.41 0.00 0.00 54.97 53.92 3k1q s GLU 427 Cb -0.07 -3.70 1.50 0.00 -1.78 0.00 0.00 34.13 30.07 3k1q s GLU 427 CO 0.12 -1.08 1.88 0.07 -0.49 0.00 0.00 175.26 175.75 3k1q h ARG 428 N 8.22 0.00 -0.23 1.61 0.11 -1.90 -1.32 114.38 120.88 3k1q h ARG 428 Ca -0.17 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 59.86 3k1q h ARG 428 Cb 1.06 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.13 3k1q h ARG 428 CO 0.75 0.00 -0.07 0.93 0.10 0.00 0.00 179.97 181.68 3k1q h GLU 429 N 0.00 0.37 -1.00 0.08 3.07 -1.94 1.23 114.58 116.39 3k1q h GLU 429 Ca 0.13 -0.08 0.26 0.00 -0.50 0.00 0.00 59.36 59.17 3k1q h GLU 429 Cb 1.00 -0.05 -0.13 0.00 -0.84 0.00 0.00 28.75 28.73 3k1q h GLU 429 CO -0.00 0.45 0.58 1.15 -1.40 0.00 0.00 179.01 179.79 3k1q h THR 430 N 0.35 0.47 0.00 1.13 2.02 -1.64 -3.20 112.91 112.04 3k1q h THR 430 Ca 0.07 -0.17 -0.22 0.00 0.77 0.00 0.00 66.41 66.86 3k1q h THR 430 Cb 0.35 -0.08 -0.04 0.00 -1.74 0.00 0.00 68.15 66.64 3k1q h THR 430 CO 0.02 0.09 -1.84 -0.38 0.37 0.00 0.00 175.52 173.78 3k1q n ILE 431 N -4.94 0.84 -3.77 3.11 5.41 -0.80 -5.06 119.36 114.15 3k1q n ILE 431 Ca 0.28 -0.51 -0.24 0.00 1.00 0.00 0.00 62.75 63.28 3k1q n ILE 431 Cb 0.80 -0.70 0.03 0.00 -0.71 0.00 0.00 39.64 39.06 3k1q n ILE 431 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 3k1q n THR 432 N -2.48 -3.77 -4.98 1.39 -2.24 0.42 -4.77 114.28 97.84 3k1q n THR 432 Ca -0.20 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.20 3k1q n THR 432 Cb 0.89 -3.47 0.00 0.00 -2.10 0.00 0.00 70.33 65.65 3k1q n THR 432 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3k1q n GLY 433 N -1.64 1.00 5.00 3.38 0.00 -1.26 -4.92 105.19 106.76 3k1q n GLY 433 Ca -0.22 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.16 3k1q n GLY 433 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3k1q n ILE 434 N 0.00 0.00 -2.99 -0.61 5.41 -1.26 -4.65 119.36 115.26 3k1q n ILE 434 Ca 0.00 0.00 -0.44 0.00 1.00 0.00 0.00 62.75 63.31 3k1q n ILE 434 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 3k1q n ILE 434 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 3k1q n PRO 435 N 0.00 3.75 -1.34 0.38 -0.04 -1.26 -4.63 135.00 131.86 3k1q n PRO 435 Ca 0.00 -4.18 -0.46 0.00 -0.04 0.00 0.00 63.50 58.83 3k1q n PRO 435 Cb 0.00 -2.72 -0.03 0.00 -0.04 0.00 0.00 33.50 30.71 3k1q n PRO 435 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3k1q n TYR 436 N 3.25 -0.69 -3.22 0.54 4.02 -1.15 -1.46 117.16 118.45 3k1q n TYR 436 Ca 0.30 0.89 -0.40 0.00 -0.01 0.00 0.00 57.90 58.69 3k1q n TYR 436 Cb 0.38 -1.87 -0.07 0.00 -0.02 0.00 0.00 39.34 37.76 3k1q n TYR 436 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 3k1q s ILE 437 N -1.06 5.07 0.27 -0.72 1.09 -1.26 -3.48 121.20 121.11 3k1q s ILE 437 Ca 0.61 0.95 0.07 0.00 -1.10 0.00 0.00 60.65 61.18 3k1q s ILE 437 Cb -0.86 -3.85 -0.06 0.00 -1.06 0.00 0.00 42.46 36.63 3k1q s ILE 437 CO 0.55 0.12 -0.06 -0.31 -0.10 0.00 0.00 174.94 175.13 3k1q s TYR 438 N 2.05 1.90 -0.05 3.97 1.51 0.33 -1.65 117.35 125.40 3k1q s TYR 438 Ca 0.23 -0.70 -0.30 0.00 -1.01 0.00 0.00 57.07 55.29 3k1q s TYR 438 Cb -0.16 -1.06 0.08 0.00 -0.11 0.00 0.00 41.96 40.71 3k1q s TYR 438 CO 0.09 0.27 0.73 0.20 -1.11 0.00 0.00 175.55 175.73 3k1q s GLY 439 N -3.42 -0.53 0.27 0.71 0.00 -1.03 -0.58 107.32 102.74 3k1q s GLY 439 Ca 0.29 1.38 0.03 0.00 0.00 0.00 0.00 44.72 46.41 3k1q s GLY 439 CO 0.11 0.91 0.04 -2.27 0.00 0.00 0.00 173.10 171.89 3k1q s LEU 440 N -1.30 2.04 -0.07 0.66 2.96 0.22 0.10 118.68 123.29 3k1q s LEU 440 Ca -0.09 -1.32 0.05 0.00 -0.22 0.00 0.00 54.13 52.56 3k1q s LEU 440 Cb -0.00 -0.23 -0.01 0.00 0.50 0.00 0.00 46.19 46.45 3k1q s LEU 440 CO 0.07 -0.60 -0.24 -0.83 -1.32 0.00 0.00 176.35 173.43 3k1q s GLY 441 N -3.37 1.32 -0.29 7.98 0.00 -1.26 -1.30 107.32 110.40 3k1q s GLY 441 Ca 0.34 -1.02 -0.25 0.00 0.00 0.00 0.00 44.72 43.78 3k1q s GLY 441 CO 0.12 -0.55 1.22 -1.08 0.00 0.00 0.00 173.10 172.82 3k1q s THR 442 N -0.02 0.00 -0.88 0.90 -1.32 0.21 -4.51 115.64 110.01 3k1q s THR 442 Ca -0.08 0.00 -0.25 0.00 -1.21 0.00 0.00 61.69 60.15 3k1q s THR 442 Cb -0.15 -1.00 -0.24 0.00 -1.51 0.00 0.00 72.50 69.60 3k1q s THR 442 CO 0.05 0.00 1.97 2.22 -2.21 0.00 0.00 174.62 176.65 3k1q n PHE 443 N 1.85 0.73 -3.08 9.09 1.16 -1.22 0.79 117.46 126.78 3k1q n PHE 443 Ca -0.11 -0.18 -0.39 0.00 -1.87 0.00 0.00 57.45 54.89 3k1q n PHE 443 Cb 0.56 -2.24 -0.06 0.00 -1.61 0.00 0.00 39.48 36.13 3k1q n PHE 443 CO 0.00 0.00 0.00 -1.17 -1.87 0.00 0.00 176.76 173.72 3k1q s LEU 444 N 14.25 4.48 0.03 5.98 0.20 0.94 -4.60 118.68 139.96 3k1q s LEU 444 Ca 0.74 1.39 0.09 0.00 0.69 0.00 0.00 54.13 57.04 3k1q s LEU 444 Cb -0.02 -3.12 -0.03 0.00 -0.43 0.00 0.00 46.19 42.59 3k1q s LEU 444 CO 0.19 0.12 -0.26 -0.51 -0.29 0.00 0.00 176.35 175.60 3k1q s ILE 445 N -0.47 2.06 -0.04 6.68 2.07 -1.26 -1.75 121.20 128.48 3k1q s ILE 445 Ca 0.35 -1.30 -0.26 0.00 -1.41 0.00 0.00 60.65 58.02 3k1q s ILE 445 Cb -0.20 -1.75 -0.21 0.00 0.13 0.00 0.00 42.46 40.43 3k1q s ILE 445 CO 0.22 0.39 1.19 -0.65 -1.91 0.00 0.00 174.94 174.18 3k1q h PRO 446 N 4.95 0.01 -6.25 3.50 0.11 -1.80 -3.30 132.00 129.22 3k1q h PRO 446 Ca -0.45 -0.00 -0.56 0.00 0.11 0.00 0.00 66.00 65.09 3k1q h PRO 446 Cb 1.14 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 3k1q h PRO 446 CO 0.44 0.57 1.20 0.45 -0.21 0.00 0.00 178.00 180.45 3k1q s SER 447 N -5.79 6.29 0.23 -2.05 0.15 -1.26 -0.68 113.70 110.59 3k1q s SER 447 Ca -0.16 1.94 -0.32 0.00 0.70 0.00 0.00 55.95 58.11 3k1q s SER 447 Cb 0.01 -2.53 -0.13 0.00 -1.71 0.00 0.00 66.02 61.66 3k1q s SER 447 CO 0.68 -1.28 1.55 -2.65 1.20 0.00 0.00 173.24 172.74 3k1q n PRO 448 N 7.72 2.34 -3.94 5.44 -0.02 -1.20 -4.87 135.00 140.48 3k1q n PRO 448 Ca 0.20 0.84 -0.35 0.00 -2.02 0.00 0.00 63.50 62.17 3k1q n PRO 448 Cb 0.44 -2.58 -0.08 0.00 -0.02 0.00 0.00 33.50 31.25 3k1q n PRO 448 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3k1q s THR 449 N 0.39 5.06 -0.86 3.45 -4.23 -1.21 -4.93 115.64 113.31 3k1q s THR 449 Ca 0.71 0.06 -0.25 0.00 -1.18 0.00 0.00 61.69 61.03 3k1q s THR 449 Cb -0.60 -3.26 -0.04 0.00 1.34 0.00 0.00 72.50 69.94 3k1q s THR 449 CO 0.44 0.50 1.94 -0.55 -0.54 0.00 0.00 174.62 176.40 3k1q s SER 450 N -0.02 5.16 0.34 3.99 0.15 -1.26 -4.54 113.70 117.51 3k1q s SER 450 Ca 0.08 -0.52 0.13 0.00 0.70 0.00 0.00 55.95 56.33 3k1q s SER 450 Cb -0.12 -2.56 1.05 0.00 -1.71 0.00 0.00 66.02 62.69 3k1q s SER 450 CO 0.00 -2.69 1.64 -1.28 1.20 0.00 0.00 173.24 172.11 3k1q h SER 451 N 11.85 0.34 0.10 5.45 0.87 -1.96 0.30 113.55 130.50 3k1q h SER 451 Ca 0.04 0.21 -0.00 0.00 -1.23 0.00 0.00 61.79 60.81 3k1q h SER 451 Cb 1.03 0.20 0.00 0.00 -0.44 0.00 0.00 62.40 63.19 3k1q h SER 451 CO 1.21 -0.20 -0.05 0.77 -0.53 0.00 0.00 176.83 178.03 3k1q h SER 452 N 0.24 -0.12 0.01 6.23 4.64 -2.00 -3.30 113.55 119.24 3k1q h SER 452 Ca 0.72 -0.13 -0.00 0.00 -0.47 0.00 0.00 61.79 61.91 3k1q h SER 452 Cb 1.65 0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 63.77 3k1q h SER 452 CO -0.66 0.06 -0.01 0.78 -0.87 0.00 0.00 176.83 176.13 3k1q h ASN 453 N -0.28 -0.02 -1.28 4.97 4.21 -1.86 -3.36 115.58 117.95 3k1q h ASN 453 Ca -0.01 0.00 -0.75 0.00 1.21 0.00 0.00 56.30 56.75 3k1q h ASN 453 Cb 0.23 0.01 -0.14 0.00 -1.12 0.00 0.00 38.32 37.30 3k1q h ASN 453 CO 0.02 -0.01 2.10 0.33 -1.29 0.00 0.00 177.43 178.58 3k1q n PHE 454 N -2.37 3.25 0.02 1.19 7.35 0.10 -4.79 117.46 122.21 3k1q n PHE 454 Ca -0.00 -2.87 0.22 0.00 -0.76 0.00 0.00 57.45 54.04 3k1q n PHE 454 Cb 0.01 -2.06 0.73 0.00 0.35 0.00 0.00 39.48 38.51 3k1q n PHE 454 CO 0.00 0.00 0.00 0.66 -0.76 0.00 0.00 176.76 176.66 3k1q h SER 455 N 5.95 0.00 -2.58 -2.13 4.64 -1.72 -3.43 113.55 114.28 3k1q h SER 455 Ca 0.41 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 61.20 3k1q h SER 455 Cb 0.66 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.77 3k1q h SER 455 CO 1.62 0.00 1.08 0.21 -0.87 0.00 0.00 176.83 178.87 3k1q s ASN 456 N -5.58 6.55 0.00 4.97 3.04 -1.26 -4.99 114.94 117.68 3k1q s ASN 456 Ca -0.05 2.52 0.00 0.00 0.04 0.00 0.00 52.86 55.38 3k1q s ASN 456 Cb 0.18 -2.55 0.00 0.00 -1.54 0.00 0.00 41.25 37.34 3k1q s ASN 456 CO 0.63 -0.95 0.68 -0.81 -3.04 0.00 0.00 177.10 173.62 3k1q n PRO 457 N 6.31 0.00 -3.65 0.43 -0.04 -1.25 -4.83 135.00 131.97 3k1q n PRO 457 Ca 0.17 0.28 -0.02 0.00 -0.04 0.00 0.00 63.50 63.89 3k1q n PRO 457 Cb 0.41 -1.18 -0.06 0.00 -0.04 0.00 0.00 33.50 32.62 3k1q n PRO 457 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 3k1q s THR 458 N -1.73 0.00 -0.47 0.52 -1.32 -1.26 -4.21 115.64 107.18 3k1q s THR 458 Ca 0.00 0.00 0.03 0.00 -1.21 0.00 0.00 61.69 60.51 3k1q s THR 458 Cb 0.00 -1.00 0.44 0.00 -1.51 0.00 0.00 72.50 70.43 3k1q s THR 458 CO 0.00 0.00 1.47 0.18 -2.21 0.00 0.00 174.62 174.06 3k1q n LEU 459 N 1.26 5.84 -4.58 9.08 4.77 -1.26 -3.65 117.00 128.46 3k1q n LEU 459 Ca -0.07 -4.74 -0.43 0.00 -0.03 0.00 0.00 56.01 50.74 3k1q n LEU 459 Cb 0.57 -0.59 -0.00 0.00 -2.33 0.00 0.00 43.42 41.07 3k1q n LEU 459 CO 0.02 1.94 1.96 -0.32 -1.33 0.00 0.00 177.39 179.67 3k1q s MET 460 N -3.69 3.98 -0.95 3.23 1.75 -1.26 -4.92 119.30 117.43 3k1q s MET 460 Ca 0.54 -1.98 -0.07 0.00 -1.25 0.00 0.00 55.69 52.93 3k1q s MET 460 Cb 0.44 -5.53 0.24 0.00 2.84 0.00 0.00 34.83 32.81 3k1q s MET 460 CO -0.06 -2.26 0.88 -0.51 -0.65 0.00 0.00 175.02 172.42 3k1q s ASP 461 N 4.25 6.62 0.00 1.11 1.11 -1.26 -4.74 116.67 123.76 3k1q s ASP 461 Ca 0.54 -3.38 0.00 0.00 0.18 0.00 0.00 52.55 49.88 3k1q s ASP 461 Cb 0.04 -2.09 0.00 0.00 1.07 0.00 0.00 42.92 41.94 3k1q s ASP 461 CO 0.07 -0.32 0.00 0.61 1.18 0.00 0.00 175.17 176.71 3k1q n GLY 462 N 2.92 2.66 3.59 0.21 0.00 -1.26 -4.74 105.19 108.56 3k1q n GLY 462 Ca 0.20 -0.16 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 3k1q n GLY 462 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3k1q s LEU 463 N 0.00 3.06 -0.38 0.99 2.96 -0.00 -4.09 118.68 121.22 3k1q s LEU 463 Ca 0.00 -0.43 0.01 0.00 -0.22 0.00 0.00 54.13 53.49 3k1q s LEU 463 Cb 0.00 -1.81 0.12 0.00 0.50 0.00 0.00 46.19 45.00 3k1q s LEU 463 CO 0.00 0.15 0.18 -0.22 -1.32 0.00 0.00 176.35 175.14 3k1q s LEU 464 N -2.45 2.44 -0.77 -0.68 2.96 -0.11 0.39 118.68 120.46 3k1q s LEU 464 Ca 0.23 -2.23 -0.19 0.00 -0.22 0.00 0.00 54.13 51.73 3k1q s LEU 464 Cb -0.10 -0.94 0.13 0.00 0.50 0.00 0.00 46.19 45.78 3k1q s LEU 464 CO 0.15 -0.33 0.91 -0.89 -1.32 0.00 0.00 176.35 174.88 3k1q s THR 465 N 0.87 4.85 -0.01 3.68 2.01 0.35 -1.23 115.64 126.16 3k1q s THR 465 Ca 0.15 -1.38 -0.30 0.00 0.31 0.00 0.00 61.69 60.47 3k1q s THR 465 Cb -0.22 -4.63 -0.08 0.00 0.01 0.00 0.00 72.50 67.59 3k1q s THR 465 CO -0.09 -1.30 1.88 -0.69 -0.69 0.00 0.00 174.62 173.73 3k1q s VAL 466 N 2.45 3.20 -1.18 3.82 1.01 -0.13 -1.78 120.40 127.80 3k1q s VAL 466 Ca 0.22 0.24 -0.14 0.00 0.00 0.00 0.00 61.98 62.31 3k1q s VAL 466 Cb -0.13 -3.16 0.18 0.00 0.00 0.00 0.00 36.38 33.26 3k1q s VAL 466 CO -0.02 -0.03 1.38 -0.89 0.00 0.00 0.00 175.10 175.54 3k1q s THR 467 N 4.51 5.09 -0.89 3.92 2.01 -0.78 -1.48 115.64 128.02 3k1q s THR 467 Ca 0.84 -2.61 -0.24 0.00 0.31 0.00 0.00 61.69 59.99 3k1q s THR 467 Cb -0.39 -4.88 -0.16 0.00 0.01 0.00 0.00 72.50 67.09 3k1q s THR 467 CO 0.37 -1.58 1.91 -0.81 -0.69 0.00 0.00 174.62 173.83 3k1q n PRO 468 N 5.49 1.30 -0.28 4.92 -0.04 -1.26 -0.25 135.00 144.88 3k1q n PRO 468 Ca 0.35 -2.02 0.09 0.00 -0.04 0.00 0.00 63.50 61.88 3k1q n PRO 468 Cb 0.43 -3.29 0.24 0.00 -0.04 0.00 0.00 33.50 30.84 3k1q n PRO 468 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 3k1q h VAL 469 N 5.38 0.53 -1.80 0.52 -1.51 -1.79 -3.30 116.25 114.28 3k1q h VAL 469 Ca 0.29 -0.13 -0.69 0.00 -1.23 0.00 0.00 66.70 64.94 3k1q h VAL 469 Cb 0.81 0.13 -0.14 0.00 -2.13 0.00 0.00 31.29 29.95 3k1q h VAL 469 CO 1.60 0.07 1.41 -0.22 -1.23 0.00 0.00 177.57 179.20 3k1q s LEU 470 N -10.51 4.56 0.16 4.19 2.96 -0.59 -4.74 118.68 114.71 3k1q s LEU 470 Ca -0.12 -2.39 0.11 0.00 -0.22 0.00 0.00 54.13 51.51 3k1q s LEU 470 Cb 0.23 -2.46 0.59 0.00 0.50 0.00 0.00 46.19 45.04 3k1q s LEU 470 CO 0.77 -1.04 1.33 0.18 -1.32 0.00 0.00 176.35 176.28 3k1q n LEU 471 N 6.95 0.28 -4.61 -0.68 4.32 -1.25 -4.63 117.00 117.39 3k1q n LEU 471 Ca 0.35 0.63 -0.43 0.00 -0.02 0.00 0.00 56.01 56.54 3k1q n LEU 471 Cb 0.46 -0.66 -0.02 0.00 -1.62 0.00 0.00 43.42 41.58 3k1q n LEU 471 CO 0.63 -0.72 1.31 -0.13 -1.22 0.00 0.00 177.39 177.26 3k1q s ARG 472 N -3.27 3.56 0.00 3.23 1.81 -1.26 -4.60 118.95 118.42 3k1q s ARG 472 Ca -0.01 1.14 0.00 0.00 -1.72 0.00 0.00 55.73 55.14 3k1q s ARG 472 Cb 0.03 -4.06 0.00 0.00 -0.45 0.00 0.00 34.95 30.48 3k1q s ARG 472 CO 0.10 -1.57 0.00 -1.91 -0.68 0.00 0.00 175.30 171.24 3k1q n GLU 473 N 8.06 0.00 -2.63 3.54 2.13 -1.26 -4.95 120.64 125.53 3k1q n GLU 473 Ca 0.18 0.37 -0.41 0.00 0.66 0.00 0.00 57.16 57.96 3k1q n GLU 473 Cb 0.47 -0.96 -0.04 0.00 0.27 0.00 0.00 31.44 31.18 3k1q n GLU 473 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 3k1q s THR 474 N -0.43 4.29 0.07 6.31 -4.23 -1.25 -4.76 115.64 115.64 3k1q s THR 474 Ca 0.00 1.87 -0.31 0.00 -1.18 0.00 0.00 61.69 62.08 3k1q s THR 474 Cb 0.00 -4.20 -0.08 0.00 1.34 0.00 0.00 72.50 69.57 3k1q s THR 474 CO 0.00 0.28 1.53 -0.89 -0.54 0.00 0.00 174.62 175.00 3k1q s THR 475 N 0.09 3.21 -0.78 3.99 2.01 -0.44 -4.33 115.64 119.39 3k1q s THR 475 Ca 0.49 0.72 -0.15 0.00 0.31 0.00 0.00 61.69 63.06 3k1q s THR 475 Cb -0.26 -3.46 0.19 0.00 0.01 0.00 0.00 72.50 68.98 3k1q s THR 475 CO 0.31 0.01 0.75 -0.47 -0.69 0.00 0.00 174.62 174.54 3k1q s TYR 476 N 2.13 3.59 -0.70 4.92 5.04 -0.66 -2.00 117.35 129.67 3k1q s TYR 476 Ca 0.69 -1.77 -0.04 0.00 -2.44 0.00 0.00 57.07 53.51 3k1q s TYR 476 Cb -0.38 -3.87 0.01 0.00 0.35 0.00 0.00 41.96 38.08 3k1q s TYR 476 CO 0.30 -1.05 0.66 1.63 -1.34 0.00 0.00 175.55 175.75 3k1q n LYS 477 N 4.52 -1.54 0.00 4.97 5.02 -1.26 -1.27 118.16 128.60 3k1q n LYS 477 Ca 0.09 1.42 0.00 0.00 -2.02 0.00 0.00 58.31 57.80 3k1q n LYS 477 Cb 0.46 -4.82 0.00 0.00 -0.02 0.00 0.00 35.03 30.64 3k1q n LYS 477 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3k1q n GLY 478 N -1.47 1.14 3.50 0.72 0.00 -1.26 -4.93 105.19 102.89 3k1q n GLY 478 Ca -0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 3k1q n GLY 478 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3k1q s GLU 479 N 0.00 3.26 -0.89 1.61 2.02 -0.39 -4.95 118.70 119.35 3k1q s GLU 479 Ca 0.00 -0.80 -0.26 0.00 0.02 0.00 0.00 54.97 53.93 3k1q s GLU 479 Cb 0.00 -4.45 -0.14 0.00 0.10 0.00 0.00 34.13 29.64 3k1q s GLU 479 CO 0.00 -1.97 2.24 0.08 0.02 0.00 0.00 175.26 175.64 3k1q s VAL 480 N 4.54 3.12 0.09 2.63 1.01 -1.26 -1.65 120.40 128.88 3k1q s VAL 480 Ca 0.31 -0.13 0.09 0.00 0.00 0.00 0.00 61.98 62.25 3k1q s VAL 480 Cb -0.10 -3.48 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 3k1q s VAL 480 CO 0.07 -0.24 -0.23 0.54 0.00 0.00 0.00 175.10 175.24 3k1q s VAL 481 N 14.32 2.46 -1.31 2.92 0.11 -1.26 -5.01 120.40 132.63 3k1q s VAL 481 Ca 0.85 -1.51 0.00 0.00 -2.93 0.00 0.00 61.98 58.39 3k1q s VAL 481 Cb -0.10 -2.06 0.00 0.00 -1.53 0.00 0.00 36.38 32.70 3k1q s VAL 481 CO 0.09 0.20 0.40 0.47 -3.33 0.00 0.00 175.10 172.93 3k1q n ASP 482 N 1.21 0.43 -4.13 3.54 8.00 -1.26 -3.80 116.55 120.54 3k1q n ASP 482 Ca -0.17 -1.23 -0.26 0.00 0.71 0.00 0.00 54.79 53.84 3k1q n ASP 482 Cb 0.53 -0.21 -0.16 0.00 -0.02 0.00 0.00 41.12 41.25 3k1q n ASP 482 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3k1q s ALA 483 N -1.31 1.54 -0.23 2.24 0.00 -1.26 -0.28 121.76 122.47 3k1q s ALA 483 Ca 0.00 -0.67 0.02 0.00 0.00 0.00 0.00 51.96 51.30 3k1q s ALA 483 Cb 0.00 -0.54 0.05 0.00 0.00 0.00 0.00 23.12 22.62 3k1q s ALA 483 CO 0.00 0.25 -0.12 0.42 0.00 0.00 0.00 175.76 176.31 3k1q s ILE 484 N 0.16 1.97 -0.65 0.00 -1.09 0.32 -4.55 121.20 117.35 3k1q s ILE 484 Ca -0.07 -1.30 0.02 0.00 -2.23 0.00 0.00 60.65 57.07 3k1q s ILE 484 Cb -0.13 -2.01 0.16 0.00 -1.58 0.00 0.00 42.46 38.90 3k1q s ILE 484 CO 0.03 0.14 0.44 0.68 -1.23 0.00 0.00 174.94 175.00 3k1q s VAL 485 N 1.24 3.20 0.10 2.92 -7.23 -1.26 -2.94 120.40 116.42 3k1q s VAL 485 Ca -0.04 -3.56 -0.32 0.00 -1.81 0.00 0.00 61.98 56.25 3k1q s VAL 485 Cb -0.17 -3.11 -0.13 0.00 0.56 0.00 0.00 36.38 33.52 3k1q s VAL 485 CO -0.08 -0.91 1.59 -0.65 -0.31 0.00 0.00 175.10 174.74 3k1q h PRO 486 N 6.28 -0.75 -0.42 4.82 0.11 -1.68 -2.87 132.00 137.49 3k1q h PRO 486 Ca 0.03 0.05 0.12 0.00 0.11 0.00 0.00 66.00 66.31 3k1q h PRO 486 Cb 0.86 0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 3k1q h PRO 486 CO 0.73 -0.50 0.35 0.00 -0.21 0.00 0.00 178.00 178.36 3k1q h ALA 487 N -0.39 2.27 0.00 -0.75 0.00 -1.06 -0.95 119.26 118.38 3k1q h ALA 487 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3k1q h ALA 487 Cb 0.73 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.55 3k1q h ALA 487 CO -0.13 -0.57 -0.50 1.79 0.00 0.00 0.00 179.25 179.84 3k1q h THR 488 N 0.00 0.00 -0.36 0.00 1.35 -1.68 -3.33 112.91 108.90 3k1q h THR 488 Ca 0.20 -0.99 0.01 0.00 -0.55 0.00 0.00 66.41 65.08 3k1q h THR 488 Cb 0.89 1.74 -0.02 0.00 -1.73 0.00 0.00 68.15 69.04 3k1q h THR 488 CO -0.00 0.00 0.24 0.58 -0.25 0.00 0.00 175.52 176.08 3k1q h VAL 489 N 0.00 1.08 -1.72 6.82 2.07 -0.94 -3.43 116.25 120.12 3k1q h VAL 489 Ca 0.00 -0.16 -0.67 0.00 0.82 0.00 0.00 66.70 66.70 3k1q h VAL 489 Cb 1.00 0.58 0.08 0.00 -1.52 0.00 0.00 31.29 31.43 3k1q h VAL 489 CO 0.00 0.08 0.10 0.80 0.02 0.00 0.00 177.57 178.57 3k1q n MET 490 N -4.48 0.85 -1.36 1.57 0.00 -1.21 -1.86 117.12 110.62 3k1q n MET 490 Ca 0.03 0.30 -0.13 0.00 0.00 0.00 0.00 57.70 57.90 3k1q n MET 490 Cb 0.08 -1.71 -0.06 0.00 0.00 0.00 0.00 33.22 31.54 3k1q n MET 490 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3k1q n ALA 491 N 1.12 -0.20 -1.48 -5.12 0.00 -1.26 -4.77 120.51 108.80 3k1q n ALA 491 Ca 0.16 0.21 0.07 0.00 0.00 0.00 0.00 53.44 53.87 3k1q n ALA 491 Cb 0.23 -1.40 0.19 0.00 0.00 0.00 0.00 19.45 18.48 3k1q n ALA 491 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3k1q n ASN 492 N -0.49 1.85 -3.67 0.00 3.02 -0.78 -4.70 115.26 110.49 3k1q n ASN 492 Ca -0.13 -3.67 -0.13 0.00 -0.03 0.00 0.00 54.58 50.62 3k1q n ASN 492 Cb 0.44 -0.50 -0.13 0.00 -0.61 0.00 0.00 39.78 38.98 3k1q n ASN 492 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3k1q s GLN 493 N -3.09 0.18 0.51 3.52 -1.52 -1.26 -5.05 119.66 112.95 3k1q s GLN 493 Ca 0.36 0.78 -0.06 0.00 -1.95 0.00 0.00 55.36 54.49 3k1q s GLN 493 Cb 0.35 0.02 -0.03 0.00 -0.22 0.00 0.00 33.01 33.12 3k1q s GLN 493 CO -0.05 -0.27 0.83 0.95 -0.25 0.00 0.00 175.29 176.51 3k1q s THR 494 N 2.35 4.78 0.24 -0.19 -4.23 -1.26 -1.07 115.64 116.26 3k1q s THR 494 Ca -0.00 0.29 -0.07 0.00 -1.18 0.00 0.00 61.69 60.73 3k1q s THR 494 Cb -0.12 -3.83 0.22 0.00 1.34 0.00 0.00 72.50 70.11 3k1q s THR 494 CO -0.09 -0.87 1.89 0.28 -0.54 0.00 0.00 174.62 175.29 3k1q h SER 495 N 0.11 0.98 -0.92 3.99 0.02 -1.95 -0.50 113.55 115.28 3k1q h SER 495 Ca -0.46 -0.01 0.19 0.00 -0.84 0.00 0.00 61.79 60.66 3k1q h SER 495 Cb 1.21 -0.23 -0.11 0.00 0.14 0.00 0.00 62.40 63.41 3k1q h SER 495 CO 0.62 0.69 0.48 -0.08 -1.14 0.00 0.00 176.83 177.39 3k1q h GLU 496 N 1.15 0.57 -0.06 3.45 4.22 -1.99 -0.16 114.58 121.76 3k1q h GLU 496 Ca 0.35 -0.03 -0.02 0.00 0.08 0.00 0.00 59.36 59.73 3k1q h GLU 496 Cb -0.04 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.08 3k1q h GLU 496 CO -0.10 0.38 -0.04 0.93 -2.18 0.00 0.00 179.01 177.99 3k1q h GLU 497 N 0.58 0.14 -0.03 1.92 5.08 -1.43 -1.07 114.58 119.76 3k1q h GLU 497 Ca 0.54 -0.07 0.04 0.00 -1.00 0.00 0.00 59.36 58.87 3k1q h GLU 497 Cb 0.89 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.09 3k1q h GLU 497 CO -0.43 0.55 -0.28 0.28 -1.00 0.00 0.00 179.01 178.13 3k1q h VAL 498 N -0.27 0.37 -0.68 3.13 2.07 -1.02 0.49 116.25 120.33 3k1q h VAL 498 Ca 0.01 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.63 3k1q h VAL 498 Cb 0.52 0.37 -0.08 0.00 -1.52 0.00 0.00 31.29 30.58 3k1q h VAL 498 CO 0.01 0.00 0.30 0.00 0.02 0.00 0.00 177.57 177.91 3k1q h ALA 499 N 0.41 0.93 -0.82 1.67 0.00 -0.95 -2.60 119.26 117.90 3k1q h ALA 499 Ca 0.07 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3k1q h ALA 499 Cb 0.51 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 3k1q h ALA 499 CO -0.27 -0.12 0.49 0.66 0.00 0.00 0.00 179.25 180.01 3k1q h SER 500 N 0.51 0.99 -1.97 0.00 4.64 -0.24 -3.48 113.55 114.00 3k1q h SER 500 Ca 0.35 -0.07 -0.63 0.00 -0.47 0.00 0.00 61.79 60.97 3k1q h SER 500 Cb 0.42 -0.25 0.12 0.00 -0.31 0.00 0.00 62.40 62.37 3k1q h SER 500 CO -0.30 0.77 -0.17 0.00 -0.87 0.00 0.00 176.83 176.26 3k1q n ALA 501 N -2.36 -1.29 -1.75 5.18 0.00 0.16 -4.94 120.51 115.51 3k1q n ALA 501 Ca 0.08 0.37 -0.38 0.00 0.00 0.00 0.00 53.44 53.51 3k1q n ALA 501 Cb 0.06 -1.85 0.04 0.00 0.00 0.00 0.00 19.45 17.70 3k1q n ALA 501 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3k1q s LEU 502 N 1.49 3.84 0.38 0.00 1.43 -1.26 -4.91 118.68 119.65 3k1q s LEU 502 Ca 0.61 2.68 0.22 0.00 -1.03 0.00 0.00 54.13 56.61 3k1q s LEU 502 Cb -0.76 -4.31 1.34 0.00 0.03 0.00 0.00 46.19 42.49 3k1q s LEU 502 CO 0.58 -1.52 1.59 0.00 0.23 0.00 0.00 176.35 177.24 3k1q h ALA 503 N 1.44 2.26 0.00 4.21 0.00 -1.92 -0.72 119.26 124.53 3k1q h ALA 503 Ca -0.51 0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3k1q h ALA 503 Cb 1.30 0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.38 3k1q h ALA 503 CO 0.57 -1.00 0.00 -1.71 0.00 0.00 0.00 179.25 177.11 3k1q n ASN 504 N -5.13 1.05 -4.18 0.00 2.85 -1.26 -4.83 115.26 103.76 3k1q n ASN 504 Ca 0.37 -1.32 -0.31 0.00 -0.11 0.00 0.00 54.58 53.21 3k1q n ASN 504 Cb 1.29 -0.33 -0.17 0.00 1.24 0.00 0.00 39.78 41.81 3k1q n ASN 504 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 3k1q s ASP 505 N 0.05 2.85 0.00 1.20 -1.08 -0.28 -1.33 116.67 118.08 3k1q s ASP 505 Ca 0.00 -0.52 0.00 0.00 -0.52 0.00 0.00 52.55 51.51 3k1q s ASP 505 Cb 0.00 -1.30 0.00 0.00 -1.46 0.00 0.00 42.92 40.16 3k1q s ASP 505 CO 0.00 0.12 0.00 0.00 0.52 0.00 0.00 175.17 175.81 3k1q n ALA 506 N 3.66 0.00 -0.34 3.66 0.00 -0.85 -1.21 120.51 125.44 3k1q n ALA 506 Ca -0.20 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.18 3k1q n ALA 506 Cb 0.53 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.93 3k1q n ALA 506 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 3k1q n ILE 507 N -3.84 -0.53 0.16 0.00 -0.00 -1.26 -1.44 119.36 112.45 3k1q n ILE 507 Ca 0.00 2.01 0.02 0.00 -0.00 0.00 0.00 62.75 64.79 3k1q n ILE 507 Cb 0.00 -2.54 0.23 0.00 -0.00 0.00 0.00 39.64 37.33 3k1q n ILE 507 CO 0.00 0.00 0.00 -0.37 -0.00 0.00 0.00 176.55 176.18 3k1q h VAL 508 N 0.00 1.13 -0.53 7.28 -1.51 -1.48 -2.18 116.25 118.96 3k1q h VAL 508 Ca 0.19 -1.88 -0.04 0.00 -1.23 0.00 0.00 66.70 63.73 3k1q h VAL 508 Cb 0.40 2.09 -0.02 0.00 -2.13 0.00 0.00 31.29 31.62 3k1q h VAL 508 CO -0.80 0.49 0.17 -0.07 -1.23 0.00 0.00 177.57 176.13 3k1q h LEU 509 N 0.00 0.76 0.17 4.19 3.38 -1.37 -0.60 115.31 121.84 3k1q h LEU 509 Ca -0.01 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 3k1q h LEU 509 Cb 1.05 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.60 3k1q h LEU 509 CO 0.07 0.76 -0.08 0.58 0.09 0.00 0.00 178.44 179.86 3k1q h VAL 510 N 0.72 0.93 -0.76 1.22 2.07 -1.25 -1.31 116.25 117.87 3k1q h VAL 510 Ca 0.17 -0.51 0.11 0.00 0.82 0.00 0.00 66.70 67.29 3k1q h VAL 510 Cb 0.27 1.24 -0.08 0.00 -1.52 0.00 0.00 31.29 31.20 3k1q h VAL 510 CO -0.01 0.12 0.39 -1.28 0.02 0.00 0.00 177.57 176.81 3k1q h SER 511 N -0.48 0.50 -0.72 0.57 0.87 -1.24 0.44 113.55 113.48 3k1q h SER 511 Ca -0.02 0.07 0.07 0.00 -1.23 0.00 0.00 61.79 60.67 3k1q h SER 511 Cb 0.37 -0.01 -0.06 0.00 -0.44 0.00 0.00 62.40 62.26 3k1q h SER 511 CO 0.04 0.26 0.41 0.78 -0.53 0.00 0.00 176.83 177.79 3k1q h ASN 512 N 0.63 0.60 0.06 6.23 4.21 -0.01 0.62 115.58 127.92 3k1q h ASN 512 Ca 0.39 0.03 -0.00 0.00 1.21 0.00 0.00 56.30 57.93 3k1q h ASN 512 Cb 0.45 -0.09 0.00 0.00 -1.12 0.00 0.00 38.32 37.56 3k1q h ASN 512 CO -0.30 0.38 -0.03 0.45 -1.29 0.00 0.00 177.43 176.65 3k1q h HIS 513 N 0.74 -0.07 -0.86 1.19 3.86 -0.55 -3.13 115.15 116.32 3k1q h HIS 513 Ca 0.33 -0.00 0.25 0.00 -1.16 0.00 0.00 60.37 59.79 3k1q h HIS 513 Cb 0.22 0.02 -0.03 0.00 1.06 0.00 0.00 27.41 28.68 3k1q h HIS 513 CO -0.07 0.04 0.62 -0.07 0.86 0.00 0.00 177.93 179.31 3k1q h LEU 514 N -0.17 0.00 -0.55 2.43 3.38 -0.02 -1.82 115.31 118.56 3k1q h LEU 514 Ca -0.01 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.82 3k1q h LEU 514 Cb 0.15 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3k1q h LEU 514 CO 0.01 0.00 -0.35 0.78 0.09 0.00 0.00 178.44 178.97 3k1q h ASN 515 N 0.00 0.82 -0.73 -0.43 4.21 0.27 -1.01 115.58 118.72 3k1q h ASN 515 Ca 0.41 -0.35 -0.05 0.00 1.21 0.00 0.00 56.30 57.51 3k1q h ASN 515 Cb 1.65 -0.23 -0.03 0.00 -1.12 0.00 0.00 38.32 38.59 3k1q h ASN 515 CO -0.00 1.09 0.25 0.11 -1.29 0.00 0.00 177.43 177.59 3k1q h LYS 516 N 0.65 1.13 -0.05 0.81 1.57 -1.36 -0.68 116.57 118.63 3k1q h LYS 516 Ca 0.06 -0.23 0.03 0.00 -1.87 0.00 0.00 60.65 58.64 3k1q h LYS 516 Cb 0.90 -0.17 -0.04 0.00 0.08 0.00 0.00 32.23 33.00 3k1q h LYS 516 CO 0.08 0.95 -0.16 1.25 -0.57 0.00 0.00 179.45 181.00 3k1q h LEU 517 N 1.08 -0.47 -0.86 2.94 5.85 -1.40 -1.87 115.31 120.57 3k1q h LEU 517 Ca 0.24 0.08 0.17 0.00 0.84 0.00 0.00 57.88 59.20 3k1q h LEU 517 Cb 0.28 0.21 -0.10 0.00 0.37 0.00 0.00 40.66 41.42 3k1q h LEU 517 CO -0.01 -0.21 0.42 0.00 -0.34 0.00 0.00 178.44 178.30 3k1q h ALA 518 N 0.74 1.33 -0.59 1.25 0.00 -0.69 -1.62 119.26 119.68 3k1q h ALA 518 Ca 0.07 0.11 0.07 0.00 0.00 0.00 0.00 54.91 55.16 3k1q h ALA 518 Cb 0.33 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.09 3k1q h ALA 518 CO -0.19 -0.16 0.26 -0.97 0.00 0.00 0.00 179.25 178.19 3k1q h ASN 519 N 0.56 0.33 0.04 0.00 -1.24 -0.42 0.36 115.58 115.20 3k1q h ASN 519 Ca 0.49 0.05 -0.00 0.00 0.71 0.00 0.00 56.30 57.55 3k1q h ASN 519 Cb 0.78 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.83 3k1q h ASN 519 CO -0.41 0.21 -0.02 0.58 -1.29 0.00 0.00 177.43 176.50 3k1q h VAL 520 N 0.48 0.98 -0.46 2.57 2.07 -0.58 -2.60 116.25 118.72 3k1q h VAL 520 Ca 0.28 -0.06 -0.00 0.00 0.82 0.00 0.00 66.70 67.74 3k1q h VAL 520 Cb 0.27 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 3k1q h VAL 520 CO -0.24 0.01 0.27 0.58 0.02 0.00 0.00 177.57 178.21 3k1q h VAL 521 N -0.07 1.15 -0.33 2.57 2.07 -0.30 -1.28 116.25 120.05 3k1q h VAL 521 Ca -0.01 -0.36 -0.12 0.00 0.82 0.00 0.00 66.70 67.04 3k1q h VAL 521 Cb 0.06 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 3k1q h VAL 521 CO 0.01 0.15 -0.27 1.23 0.02 0.00 0.00 177.57 178.71 3k1q h GLY 522 N 0.61 0.74 1.72 2.17 0.00 -0.77 0.30 103.07 107.83 3k1q h GLY 522 Ca 0.16 -0.65 -0.21 0.00 0.00 0.00 0.00 47.33 46.64 3k1q h GLY 522 CO -0.03 0.59 -0.91 -0.55 0.00 0.00 0.00 176.54 175.64 3k1q h ASP 523 N 0.59 0.32 0.00 0.19 3.32 -1.43 -3.36 116.42 116.06 3k1q h ASP 523 Ca 0.08 -0.27 -0.32 0.00 0.02 0.00 0.00 57.03 56.54 3k1q h ASP 523 Cb 0.76 -0.10 -0.06 0.00 0.22 0.00 0.00 39.33 40.15 3k1q h ASP 523 CO 0.06 1.07 -2.21 0.00 -1.72 0.00 0.00 179.24 176.45 3k1q n ALA 524 N -2.48 1.54 -2.80 3.45 0.00 -0.49 -5.00 120.51 114.73 3k1q n ALA 524 Ca -0.04 -0.90 -0.35 0.00 0.00 0.00 0.00 53.44 52.14 3k1q n ALA 524 Cb 0.82 0.02 -0.08 0.00 0.00 0.00 0.00 19.45 20.21 3k1q n ALA 524 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3k1q s ILE 525 N -2.42 4.89 -1.46 0.00 1.09 0.10 -4.82 121.20 118.58 3k1q s ILE 525 Ca -0.29 -0.01 -0.14 0.00 -1.10 0.00 0.00 60.65 59.11 3k1q s ILE 525 Cb 0.08 -3.14 0.04 0.00 -1.06 0.00 0.00 42.46 38.37 3k1q s ILE 525 CO 0.49 0.55 2.24 -0.81 -0.10 0.00 0.00 174.94 177.30 3k1q n PRO 526 N 2.70 2.87 -0.94 2.79 -0.04 -1.26 -4.40 135.00 136.71 3k1q n PRO 526 Ca -0.18 -2.60 -0.10 0.00 -0.04 0.00 0.00 63.50 60.57 3k1q n PRO 526 Cb 0.53 -3.28 0.23 0.00 -0.04 0.00 0.00 33.50 30.95 3k1q n PRO 526 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 3k1q n VAL 527 N 5.06 2.69 0.00 0.52 0.24 -1.26 -4.40 118.33 121.18 3k1q n VAL 527 Ca 0.52 -1.47 0.00 0.00 -2.04 0.00 0.00 64.34 61.35 3k1q n VAL 527 Cb 0.39 -0.46 0.00 0.00 -1.47 0.00 0.00 33.84 32.30 3k1q n VAL 527 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3k1q n ALA 528 N -0.34 0.00 -0.02 2.33 0.00 -1.26 -4.86 120.51 116.35 3k1q n ALA 528 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.85 3k1q n ALA 528 Cb 1.34 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.79 3k1q n ALA 528 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3k1q n SER 529 N 0.00 0.00 0.00 0.00 7.64 -1.26 -3.46 113.62 116.54 3k1q n SER 529 Ca 0.00 -1.79 0.00 0.00 1.01 0.00 0.00 58.87 58.09 3k1q n SER 529 Cb 0.00 -0.36 0.00 0.00 -1.01 0.00 0.00 64.21 62.84 3k1q n SER 529 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 3k1q n ARG 530 N 4.38 0.00 -2.44 1.43 1.85 -1.26 -4.93 116.66 115.69 3k1q n ARG 530 Ca 0.00 0.00 -0.39 0.00 -1.00 0.00 0.00 57.85 56.46 3k1q n ARG 530 Cb 0.00 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.38 3k1q n ARG 530 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 3k1q s THR 531 N -2.00 3.75 -0.47 8.89 -4.23 -1.22 -4.96 115.64 115.40 3k1q s THR 531 Ca 0.00 -0.28 -0.29 0.00 -1.18 0.00 0.00 61.69 59.94 3k1q s THR 531 Cb 0.00 -4.77 0.03 0.00 1.34 0.00 0.00 72.50 69.09 3k1q s THR 531 CO 0.00 -1.69 1.13 -0.62 -0.54 0.00 0.00 174.62 172.91 3k1q s ASP 532 N 5.31 6.65 -0.15 3.99 2.15 -1.26 -4.52 116.67 128.84 3k1q s ASP 532 Ca 0.48 0.49 -0.04 0.00 0.43 0.00 0.00 52.55 53.91 3k1q s ASP 532 Cb -0.04 -2.55 -0.03 0.00 -0.30 0.00 0.00 42.92 40.00 3k1q s ASP 532 CO 0.01 -1.24 -0.02 -0.62 -0.17 0.00 0.00 175.17 173.14 3k1q s ASP 533 N 2.42 4.98 0.32 -0.34 2.15 -1.26 -5.04 116.67 119.90 3k1q s ASP 533 Ca 0.48 -0.05 0.28 0.00 0.43 0.00 0.00 52.55 53.68 3k1q s ASP 533 Cb -0.07 -1.74 1.01 0.00 -0.30 0.00 0.00 42.92 41.81 3k1q s ASP 533 CO 0.31 0.21 0.93 -1.54 -0.17 0.00 0.00 175.17 174.91 3k1q n SER 534 N 3.29 0.02 -0.37 -0.34 3.41 -1.26 -0.10 113.62 118.27 3k1q n SER 534 Ca -0.17 0.64 0.29 0.00 -0.26 0.00 0.00 58.87 59.36 3k1q n SER 534 Cb 0.53 -0.32 0.55 0.00 -0.26 0.00 0.00 64.21 64.71 3k1q n SER 534 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3k1q h ALA 535 N 0.66 2.30 0.00 7.33 0.00 -1.99 -2.28 119.26 125.27 3k1q h ALA 535 Ca 0.56 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.62 3k1q h ALA 535 Cb 2.15 0.17 0.00 0.00 0.00 0.00 0.00 17.79 20.11 3k1q h ALA 535 CO -0.06 -0.90 0.00 0.25 0.00 0.00 0.00 179.25 178.54 3k1q n THR 536 N -4.88 0.00 0.27 0.00 -2.24 0.86 -4.19 114.28 104.09 3k1q n THR 536 Ca 0.33 0.00 0.16 0.00 -2.27 0.00 0.00 64.05 62.28 3k1q n THR 536 Cb 1.16 -0.56 0.82 0.00 -2.10 0.00 0.00 70.33 69.65 3k1q n THR 536 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3k1q h SER 537 N 0.00 0.00 -0.03 3.42 4.64 -1.61 -3.15 113.55 116.81 3k1q h SER 537 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3k1q h SER 537 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3k1q h SER 537 CO 0.00 0.00 -0.04 0.00 -0.87 0.00 0.00 176.83 175.92 3k1q h ALA 538 N 2.03 0.05 -0.42 5.18 0.00 -1.86 0.16 119.26 124.40 3k1q h ALA 538 Ca 0.00 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.57 3k1q h ALA 538 Cb 0.11 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3k1q h ALA 538 CO 0.00 -0.17 -0.02 -0.84 0.00 0.00 0.00 179.25 178.23 3k1q h ILE 539 N -0.39 1.23 -0.28 0.00 3.07 -1.85 -2.73 117.51 116.56 3k1q h ILE 539 Ca 0.00 -0.96 -0.15 0.00 1.55 0.00 0.00 64.86 65.31 3k1q h ILE 539 Cb 0.55 0.93 -0.01 0.00 -0.27 0.00 0.00 36.82 38.02 3k1q h ILE 539 CO 0.01 0.33 -0.44 0.58 -1.05 0.00 0.00 178.15 177.58 3k1q h VAL 540 N 0.65 1.29 -0.83 0.16 2.07 -0.98 -1.35 116.25 117.26 3k1q h VAL 540 Ca 0.13 -1.63 -0.01 0.00 0.82 0.00 0.00 66.70 66.01 3k1q h VAL 540 Cb 0.43 1.55 -0.04 0.00 -1.52 0.00 0.00 31.29 31.71 3k1q h VAL 540 CO 0.02 0.52 0.49 0.28 0.02 0.00 0.00 177.57 178.90 3k1q h SER 541 N 0.57 0.99 -0.38 0.57 0.02 -0.51 0.84 113.55 115.64 3k1q h SER 541 Ca 0.04 -0.06 -0.06 0.00 -0.84 0.00 0.00 61.79 60.87 3k1q h SER 541 Cb 0.99 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.26 3k1q h SER 541 CO 0.09 0.77 0.01 -0.09 -1.14 0.00 0.00 176.83 176.47 3k1q h ARG 542 N 1.14 0.67 -0.71 3.45 9.65 -1.36 -2.82 114.38 124.40 3k1q h ARG 542 Ca 0.30 -0.21 0.02 0.00 -1.10 0.00 0.00 59.98 58.99 3k1q h ARG 542 Cb -0.03 -0.06 -0.04 0.00 -1.39 0.00 0.00 29.97 28.44 3k1q h ARG 542 CO -0.05 0.76 0.46 -0.07 2.80 0.00 0.00 179.97 183.87 3k1q h LEU 543 N 0.49 0.78 -0.98 3.80 3.38 0.02 -1.56 115.31 121.23 3k1q h LEU 543 Ca 0.11 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 3k1q h LEU 543 Cb 0.45 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.98 3k1q h LEU 543 CO 0.02 0.55 0.51 0.00 0.09 0.00 0.00 178.44 179.60 3k1q h ALA 544 N 1.28 1.23 0.09 1.53 0.00 0.82 -1.02 119.26 123.19 3k1q h ALA 544 Ca 0.27 -0.12 -0.26 0.00 0.00 0.00 0.00 54.91 54.81 3k1q h ALA 544 Cb -0.05 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.39 3k1q h ALA 544 CO -0.08 0.64 -1.16 0.28 0.00 0.00 0.00 179.25 178.93 3k1q h VAL 545 N 1.23 1.52 -0.27 0.00 2.07 -1.30 -3.15 116.25 116.34 3k1q h VAL 545 Ca 0.31 -3.02 0.02 0.00 0.82 0.00 0.00 66.70 64.82 3k1q h VAL 545 Cb -0.01 2.85 -0.01 0.00 -1.52 0.00 0.00 31.29 32.60 3k1q h VAL 545 CO -0.05 0.88 0.18 1.56 0.02 0.00 0.00 177.57 180.16 3k1q h GLN 546 N 0.08 0.30 -0.86 1.57 4.20 -0.62 -2.82 115.11 116.96 3k1q h GLN 546 Ca -0.11 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.59 3k1q h GLN 546 Cb 1.87 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 29.59 3k1q h GLN 546 CO 0.19 0.20 0.00 1.58 -0.67 0.00 0.00 178.83 180.12 3k1q n HIS 547 N -4.50 0.00 -2.44 2.96 -0.00 -0.45 -4.55 115.22 106.25 3k1q n HIS 547 Ca 0.02 -0.09 -0.43 0.00 0.46 0.00 0.00 57.72 57.67 3k1q n HIS 547 Cb 0.12 -0.11 0.01 0.00 -0.12 0.00 0.00 29.99 29.88 3k1q n HIS 547 CO 0.00 0.00 0.00 1.17 0.46 0.00 0.00 176.34 177.97 3k1q n LYS 548 N 0.29 3.74 -2.65 1.57 3.00 -1.07 -4.81 118.16 118.24 3k1q n LYS 548 Ca 0.00 -3.67 -0.43 0.00 -0.00 0.00 0.00 58.31 54.21 3k1q n LYS 548 Cb 0.22 -2.87 0.00 0.00 0.00 0.00 0.00 35.03 32.38 3k1q n LYS 548 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 3k1q n LEU 549 N 3.54 5.06 -4.82 3.14 4.32 -1.26 -4.96 117.00 122.01 3k1q n LEU 549 Ca 0.38 -4.05 -0.36 0.00 -0.02 0.00 0.00 56.01 51.95 3k1q n LEU 549 Cb 0.36 -1.72 -0.07 0.00 -1.62 0.00 0.00 43.42 40.37 3k1q n LEU 549 CO 0.80 0.31 -0.20 -0.55 -1.22 0.00 0.00 177.39 176.54 3k1q s SER 550 N 3.86 6.14 0.00 -1.43 0.15 -1.26 -3.04 113.70 118.11 3k1q s SER 550 Ca 0.51 0.37 0.00 0.00 0.70 0.00 0.00 55.95 57.53 3k1q s SER 550 Cb 0.03 -1.97 0.00 0.00 -1.71 0.00 0.00 66.02 62.37 3k1q s SER 550 CO 0.06 0.36 0.00 0.00 1.20 0.00 0.00 173.24 174.86 3k1q n GLN 551 N 2.28 3.58 -3.83 5.44 3.00 -1.26 -5.01 117.38 121.58 3k1q n GLN 551 Ca -0.19 0.00 -0.35 0.00 -0.01 0.00 0.00 57.00 56.45 3k1q n GLN 551 Cb 0.54 0.00 -0.08 0.00 0.00 0.00 0.00 30.24 30.70 3k1q n GLN 551 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.06 177.20 3k1q s VAL 552 N 2.89 5.28 0.00 5.09 -7.23 -1.26 -4.72 120.40 120.46 3k1q s VAL 552 Ca 0.00 0.14 0.00 0.00 -1.81 0.00 0.00 61.98 60.31 3k1q s VAL 552 Cb 0.00 -3.38 0.00 0.00 0.56 0.00 0.00 36.38 33.56 3k1q s VAL 552 CO 0.00 0.49 0.00 0.61 -0.31 0.00 0.00 175.10 175.89 3k1q n GLY 553 N 3.13 1.82 3.52 2.32 0.00 -1.26 -4.54 105.19 110.19 3k1q n GLY 553 Ca -0.17 -0.39 -0.42 0.00 0.00 0.00 0.00 46.02 45.04 3k1q n GLY 553 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3k1q s GLN 554 N 0.00 3.60 1.13 1.61 0.74 -1.26 -5.02 119.66 120.46 3k1q s GLN 554 Ca 0.00 -1.36 -0.14 0.00 0.05 0.00 0.00 55.36 53.90 3k1q s GLN 554 Cb 0.00 -5.20 0.26 0.00 1.10 0.00 0.00 33.01 29.16 3k1q s GLN 554 CO 0.00 -2.05 1.06 0.00 -0.55 0.00 0.00 175.29 173.74 3k1q s ALA 555 N 4.14 0.18 -0.50 1.58 0.00 -1.26 -4.82 121.76 121.08 3k1q s ALA 555 Ca 0.41 -0.42 -0.40 0.00 0.00 0.00 0.00 51.96 51.55 3k1q s ALA 555 Cb -0.02 -3.11 -0.17 0.00 0.00 0.00 0.00 23.12 19.82 3k1q s ALA 555 CO -0.10 -3.49 2.20 0.45 0.00 0.00 0.00 175.76 174.82 3k1q n SER 556 N -4.67 1.12 -4.01 0.00 2.88 -1.17 -4.85 113.62 102.93 3k1q n SER 556 Ca 0.06 0.55 -0.43 0.00 -1.33 0.00 0.00 58.87 57.72 3k1q n SER 556 Cb 0.57 -1.01 0.00 0.00 -0.75 0.00 0.00 64.21 63.02 3k1q n SER 556 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3k1q n PRO 557 N 7.79 3.50 -3.06 -1.46 -0.04 -1.26 -4.93 135.00 135.54 3k1q n PRO 557 Ca 0.52 -3.52 -0.44 0.00 -0.04 0.00 0.00 63.50 60.01 3k1q n PRO 557 Cb 0.05 -2.99 -0.04 0.00 -0.04 0.00 0.00 33.50 30.47 3k1q n PRO 557 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 3k1q s THR 558 N 0.95 4.72 -0.21 0.52 2.01 -1.26 -5.02 115.64 117.35 3k1q s THR 558 Ca 0.41 -0.85 -0.37 0.00 0.31 0.00 0.00 61.69 61.19 3k1q s THR 558 Cb 0.07 -4.53 -0.13 0.00 0.01 0.00 0.00 72.50 67.92 3k1q s THR 558 CO -0.00 -1.19 1.86 -2.65 -0.69 0.00 0.00 174.62 171.95 3k1q n PRO 559 N 6.61 1.61 -0.63 4.92 -0.02 -1.26 -4.60 135.00 141.63 3k1q n PRO 559 Ca -0.08 0.58 -0.23 0.00 -2.02 0.00 0.00 63.50 61.74 3k1q n PRO 559 Cb 0.43 -2.39 -0.02 0.00 -0.02 0.00 0.00 33.50 31.49 3k1q n PRO 559 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3k1q n PRO 560 N 6.31 0.00 0.29 0.52 -0.02 -1.26 -4.68 135.00 136.16 3k1q n PRO 560 Ca 0.27 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 3k1q n PRO 560 Cb 0.22 -0.53 0.00 0.00 -0.02 0.00 0.00 33.50 33.16 3k1q n PRO 560 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3k1q n ASP 561 N 0.77 0.00 -0.09 2.55 10.43 -1.26 -3.62 116.55 125.33 3k1q n ASP 561 Ca 0.08 0.43 -0.09 0.00 2.57 0.00 0.00 54.79 57.78 3k1q n ASP 561 Cb 0.07 0.00 0.05 0.00 1.84 0.00 0.00 41.12 43.09 3k1q n ASP 561 CO 0.00 0.00 0.00 1.88 -1.07 0.00 0.00 177.20 178.01 3k1q h TYR 562 N 0.00 0.93 0.00 1.24 -1.99 -1.98 -1.06 116.97 114.12 3k1q h TYR 562 Ca 0.00 -0.24 0.00 0.00 2.00 0.00 0.00 58.73 60.49 3k1q h TYR 562 Cb 1.79 -0.21 0.00 0.00 2.00 0.00 0.00 36.73 40.31 3k1q h TYR 562 CO 0.00 1.00 -0.08 -1.00 -0.00 0.00 0.00 178.16 178.08 3k1q h PRO 563 N 0.68 0.00 0.00 4.88 0.13 -1.90 -3.40 132.00 132.39 3k1q h PRO 563 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 3k1q h PRO 563 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 3k1q h PRO 563 CO 0.07 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.12 3k1q n LEU 564 N -4.49 0.00 -0.03 1.56 4.77 -1.22 -1.22 117.00 116.37 3k1q n LEU 564 Ca -0.01 0.82 -0.04 0.00 -0.03 0.00 0.00 56.01 56.75 3k1q n LEU 564 Cb 0.04 -0.35 0.19 0.00 -2.33 0.00 0.00 43.42 40.97 3k1q n LEU 564 CO 0.02 -0.35 0.79 -0.07 -1.33 0.00 0.00 177.39 176.45 3k1q h LEU 565 N 0.00 0.59 -0.36 2.23 4.07 -1.53 -2.58 115.31 117.73 3k1q h LEU 565 Ca 0.00 -0.18 0.06 0.00 0.08 0.00 0.00 57.88 57.84 3k1q h LEU 565 Cb 0.00 -0.16 -0.05 0.00 1.08 0.00 0.00 40.66 41.53 3k1q h LEU 565 CO 0.00 0.77 0.06 -0.25 -1.08 0.00 0.00 178.44 177.94 3k1q h TRP 566 N 0.54 0.10 -0.34 1.13 2.91 -1.29 0.29 115.95 119.29 3k1q h TRP 566 Ca 0.09 0.02 -0.16 0.00 1.13 0.00 0.00 58.89 59.97 3k1q h TRP 566 Cb 0.59 0.01 -0.00 0.00 -0.51 0.00 0.00 29.16 29.24 3k1q h TRP 566 CO 0.02 0.01 -0.42 0.00 -1.03 0.00 0.00 178.44 177.02 3k1q h ARG 567 N 0.18 0.89 -0.88 2.65 3.08 -0.78 -1.33 114.38 118.19 3k1q h ARG 567 Ca 0.17 -0.50 0.09 0.00 0.07 0.00 0.00 59.98 59.81 3k1q h ARG 567 Cb 0.20 0.03 -0.07 0.00 0.08 0.00 0.00 29.97 30.21 3k1q h ARG 567 CO -0.23 1.14 0.53 0.00 -1.07 0.00 0.00 179.97 180.34 3k1q h ARG 568 N 0.69 0.88 -0.11 0.04 3.08 -1.26 -1.67 114.38 116.03 3k1q h ARG 568 Ca 0.05 -0.05 -0.17 0.00 0.07 0.00 0.00 59.98 59.87 3k1q h ARG 568 Cb 1.02 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.86 3k1q h ARG 568 CO 0.10 0.58 -0.66 0.00 -1.07 0.00 0.00 179.97 178.92 3k1q h ALA 569 N 1.46 0.65 -0.08 0.04 0.00 -0.26 -1.93 119.26 119.14 3k1q h ALA 569 Ca 0.42 -0.57 0.01 0.00 0.00 0.00 0.00 54.91 54.77 3k1q h ALA 569 Cb 0.33 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3k1q h ALA 569 CO -0.23 0.73 0.02 -0.22 0.00 0.00 0.00 179.25 179.55 3k1q h LYS 570 N 0.32 0.05 -0.67 0.00 1.63 -0.37 0.62 116.57 118.15 3k1q h LYS 570 Ca -0.02 -0.00 0.12 0.00 -0.85 0.00 0.00 60.65 59.90 3k1q h LYS 570 Cb 1.22 -0.01 -0.12 0.00 -0.60 0.00 0.00 32.23 32.71 3k1q h LYS 570 CO 0.12 0.03 -0.30 0.00 -3.45 0.00 0.00 179.45 175.85 3k1q h ARG 571 N 0.05 -0.10 -0.16 1.90 3.08 -1.10 0.81 114.38 118.85 3k1q h ARG 571 Ca 0.04 0.01 -0.12 0.00 0.07 0.00 0.00 59.98 59.97 3k1q h ARG 571 Cb 0.03 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 3k1q h ARG 571 CO -0.05 -0.07 -0.43 0.00 -1.07 0.00 0.00 179.97 178.35 3k1q h ALA 572 N 1.22 0.96 -0.56 0.04 0.00 -1.33 -1.07 119.26 118.51 3k1q h ALA 572 Ca 0.27 -0.44 0.09 0.00 0.00 0.00 0.00 54.91 54.84 3k1q h ALA 572 Cb 0.55 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.17 3k1q h ALA 572 CO -0.73 0.63 0.15 0.00 0.00 0.00 0.00 179.25 179.30 3k1q h ALA 573 N 1.22 0.67 0.05 0.00 0.00 -0.08 0.02 119.26 121.14 3k1q h ALA 573 Ca 0.02 0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.05 3k1q h ALA 573 Cb 0.89 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 3k1q h ALA 573 CO 0.07 -0.26 -0.10 1.03 0.00 0.00 0.00 179.25 179.99 3k1q h SER 574 N 0.30 -0.27 -0.63 0.00 0.87 -0.72 0.17 113.55 113.29 3k1q h SER 574 Ca 0.28 0.03 0.09 0.00 -1.23 0.00 0.00 61.79 60.97 3k1q h SER 574 Cb 0.37 0.11 -0.07 0.00 -0.44 0.00 0.00 62.40 62.37 3k1q h SER 574 CO -0.33 -0.14 0.26 0.24 -0.53 0.00 0.00 176.83 176.33 3k1q h MET 575 N -0.19 0.45 -0.52 2.24 2.86 -1.05 -0.86 114.93 117.86 3k1q h MET 575 Ca 0.02 -0.03 0.08 0.00 -2.06 0.00 0.00 59.70 57.72 3k1q h MET 575 Cb 0.21 -0.10 -0.07 0.00 0.06 0.00 0.00 31.60 31.70 3k1q h MET 575 CO -0.07 0.30 0.15 0.35 1.06 0.00 0.00 176.91 178.70 3k1q h PHE 576 N 0.47 0.25 -0.10 -0.22 3.57 -0.21 -2.84 116.94 117.86 3k1q h PHE 576 Ca 0.31 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.85 3k1q h PHE 576 Cb 0.35 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 3k1q h PHE 576 CO -0.15 0.04 0.03 0.28 -2.23 0.00 0.00 178.31 176.29 3k1q h VAL 577 N 0.30 0.97 -0.14 1.41 2.07 -0.52 -1.63 116.25 118.71 3k1q h VAL 577 Ca 0.26 -0.03 0.04 0.00 0.82 0.00 0.00 66.70 67.80 3k1q h VAL 577 Cb 0.33 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 3k1q h VAL 577 CO -0.30 0.01 0.11 0.77 0.02 0.00 0.00 177.57 178.18 3k1q h SER 578 N 0.08 0.00 -1.64 0.57 4.64 -1.23 -3.39 113.55 112.58 3k1q h SER 578 Ca 0.04 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.22 3k1q h SER 578 Cb 0.02 0.00 -0.28 0.00 -0.31 0.00 0.00 62.40 61.84 3k1q h SER 578 CO -0.05 0.00 -0.49 0.21 -0.87 0.00 0.00 176.83 175.63 3k1q s ASN 579 N -6.75 0.05 0.42 4.97 3.84 -1.07 -5.06 114.94 111.34 3k1q s ASN 579 Ca -0.05 -0.10 0.19 0.00 0.21 0.00 0.00 52.86 53.10 3k1q s ASN 579 Cb 0.17 1.26 1.11 0.00 -0.55 0.00 0.00 41.25 43.24 3k1q s ASN 579 CO 0.67 -0.33 1.82 -0.65 -2.79 0.00 0.00 177.10 175.83 3k1q h PRO 580 N 8.14 0.38 -0.30 0.43 0.11 -1.51 -2.49 132.00 136.76 3k1q h PRO 580 Ca -0.11 -0.02 0.09 0.00 0.11 0.00 0.00 66.00 66.06 3k1q h PRO 580 Cb 1.14 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 3k1q h PRO 580 CO 0.26 0.25 0.25 0.66 -0.21 0.00 0.00 178.00 179.20 3k1q h SER 581 N 0.39 0.00 -0.59 -2.05 4.64 -1.93 -2.71 113.55 111.30 3k1q h SER 581 Ca 0.52 0.00 0.17 0.00 -0.47 0.00 0.00 61.79 62.01 3k1q h SER 581 Cb 1.33 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.40 3k1q h SER 581 CO -0.21 0.00 0.77 -0.07 -0.87 0.00 0.00 176.83 176.44 3k1q h LEU 582 N 0.00 0.00 -1.77 5.97 3.38 -1.79 0.00 115.31 121.10 3k1q h LEU 582 Ca 0.14 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 3k1q h LEU 582 Cb 0.63 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.38 3k1q h LEU 582 CO -0.00 0.00 -0.07 0.00 0.09 0.00 0.00 178.44 178.46 3k1q h ALA 583 N 1.02 1.82 0.00 1.53 0.00 -1.72 -0.15 119.26 121.76 3k1q h ALA 583 Ca 0.28 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3k1q h ALA 583 Cb 1.81 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.57 3k1q h ALA 583 CO -0.00 0.14 -0.96 1.28 0.00 0.00 0.00 179.25 179.71 3k1q n LEU 584 N -4.43 0.64 -4.60 0.00 4.77 -0.03 -4.63 117.00 108.72 3k1q n LEU 584 Ca -0.02 -0.07 -0.42 0.00 -0.03 0.00 0.00 56.01 55.47 3k1q n LEU 584 Cb 0.17 -0.11 -0.05 0.00 -2.33 0.00 0.00 43.42 41.09 3k1q n LEU 584 CO 0.35 0.08 0.52 -1.10 -1.33 0.00 0.00 177.39 175.91 3k1q s GLN 585 N -3.15 3.85 0.34 3.23 -0.21 -0.07 -4.18 119.66 119.47 3k1q s GLN 585 Ca 0.05 0.38 -0.16 0.00 0.02 0.00 0.00 55.36 55.65 3k1q s GLN 585 Cb 0.15 -3.76 -0.12 0.00 1.00 0.00 0.00 33.01 30.27 3k1q s GLN 585 CO 0.80 -0.72 0.02 1.55 -2.12 0.00 0.00 175.29 174.81 3k1q n VAL 586 N 5.59 0.35 -3.70 1.09 3.14 -0.24 -3.87 118.33 120.69 3k1q n VAL 586 Ca 0.02 -0.39 -0.22 0.00 -2.96 0.00 0.00 64.34 60.78 3k1q n VAL 586 Cb 0.48 0.00 0.04 0.00 -1.06 0.00 0.00 33.84 33.30 3k1q n VAL 586 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3k1q n GLY 587 N 1.88 -0.32 3.50 7.55 0.00 -1.26 -4.97 105.19 111.56 3k1q n GLY 587 Ca 0.08 0.13 -0.37 0.00 0.00 0.00 0.00 46.02 45.87 3k1q n GLY 587 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3k1q s ILE 588 N -3.60 4.57 0.00 -0.61 -1.09 -1.25 -5.02 121.20 114.20 3k1q s ILE 588 Ca 0.09 -0.08 0.00 0.00 -2.23 0.00 0.00 60.65 58.43 3k1q s ILE 588 Cb -0.05 -3.14 0.00 0.00 -1.58 0.00 0.00 42.46 37.69 3k1q s ILE 588 CO 0.81 0.33 0.61 -2.65 -1.23 0.00 0.00 174.94 172.81 3k1q n PRO 589 N 4.82 0.00 -0.01 2.79 -0.02 -1.26 -2.81 135.00 138.50 3k1q n PRO 589 Ca -0.16 0.61 0.06 0.00 -2.02 0.00 0.00 63.50 62.00 3k1q n PRO 589 Cb 0.52 -0.96 -0.11 0.00 -0.02 0.00 0.00 33.50 32.92 3k1q n PRO 589 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 3k1q n VAL 590 N -2.28 0.07 0.21 -1.45 0.24 -1.26 -4.68 118.33 109.19 3k1q n VAL 590 Ca 0.00 -0.35 0.07 0.00 -2.04 0.00 0.00 64.34 62.03 3k1q n VAL 590 Cb 0.00 0.11 0.48 0.00 -1.47 0.00 0.00 33.84 32.96 3k1q n VAL 590 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 3k1q h LEU 591 N 0.00 0.00 -1.63 1.34 3.38 -1.95 -2.18 115.31 114.27 3k1q h LEU 591 Ca -0.03 0.00 0.46 0.00 0.09 0.00 0.00 57.88 58.40 3k1q h LEU 591 Cb 0.75 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.44 3k1q h LEU 591 CO 0.00 0.28 1.33 0.71 0.09 0.00 0.00 178.44 180.85 3k1q h THR 592 N 0.00 0.01 -2.61 0.22 1.35 -1.79 -3.32 112.91 106.77 3k1q h THR 592 Ca -0.00 0.00 -0.62 0.00 -0.55 0.00 0.00 66.41 65.24 3k1q h THR 592 Cb 0.63 0.02 -0.14 0.00 -1.73 0.00 0.00 68.15 66.93 3k1q h THR 592 CO 0.04 0.00 0.62 -1.58 -0.25 0.00 0.00 175.52 174.34 3k1q s GLN 593 N -4.70 3.13 0.57 4.72 -0.44 -0.82 -4.71 119.66 117.42 3k1q s GLN 593 Ca -0.04 -0.78 0.31 0.00 -2.50 0.00 0.00 55.36 52.34 3k1q s GLN 593 Cb 0.22 -4.24 1.43 0.00 -1.64 0.00 0.00 33.01 28.78 3k1q s GLN 593 CO 0.73 -1.86 1.81 0.66 0.50 0.00 0.00 175.29 177.12 3k1q h SER 594 N 9.61 0.00 -0.37 6.67 4.64 -1.88 0.20 113.55 132.43 3k1q h SER 594 Ca -0.28 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 61.12 3k1q h SER 594 Cb 1.07 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.07 3k1q h SER 594 CO 1.19 0.00 -0.21 1.23 -0.87 0.00 0.00 176.83 178.18 3k1q h GLY 595 N 0.00 0.04 2.00 -0.77 0.00 -1.92 0.29 103.07 102.71 3k1q h GLY 595 Ca 0.35 0.26 -0.02 0.00 0.00 0.00 0.00 47.33 47.92 3k1q h GLY 595 CO -0.00 -0.20 -0.11 -0.33 0.00 0.00 0.00 176.54 175.90 3k1q h MET 596 N -0.15 0.00 0.20 4.80 2.86 -0.94 0.17 114.93 121.87 3k1q h MET 596 Ca 0.18 0.00 -0.31 0.00 -2.06 0.00 0.00 59.70 57.51 3k1q h MET 596 Cb 0.43 0.00 0.02 0.00 0.06 0.00 0.00 31.60 32.11 3k1q h MET 596 CO -0.46 0.11 -1.40 1.25 1.06 0.00 0.00 176.91 177.46 3k1q h LEU 597 N 0.00 0.65 -0.61 1.22 5.85 -0.81 -1.15 115.31 120.47 3k1q h LEU 597 Ca -0.00 -0.72 0.04 0.00 0.84 0.00 0.00 57.88 58.05 3k1q h LEU 597 Cb 0.27 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.04 3k1q h LEU 597 CO 0.01 1.56 0.34 0.28 -0.34 0.00 0.00 178.44 180.30 3k1q h SER 598 N 0.11 0.52 -0.88 1.25 0.02 0.02 -0.50 113.55 114.10 3k1q h SER 598 Ca -0.21 0.02 0.05 0.00 -0.84 0.00 0.00 61.79 60.81 3k1q h SER 598 Cb 2.09 -0.09 -0.05 0.00 0.14 0.00 0.00 62.40 64.49 3k1q h SER 598 CO 0.24 0.35 0.57 0.00 -1.14 0.00 0.00 176.83 176.86 3k1q h ALA 599 N 1.30 1.51 0.08 3.77 0.00 -0.50 -0.87 119.26 124.55 3k1q h ALA 599 Ca 0.26 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 3k1q h ALA 599 Cb 0.12 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3k1q h ALA 599 CO -0.15 0.38 -0.04 1.25 0.00 0.00 0.00 179.25 180.69 3k1q h LEU 600 N 1.03 -0.09 -0.25 0.00 6.46 0.11 0.17 115.31 122.73 3k1q h LEU 600 Ca 0.37 -0.42 0.05 0.00 -0.12 0.00 0.00 57.88 57.75 3k1q h LEU 600 Cb 0.14 0.02 -0.07 0.00 -0.73 0.00 0.00 40.66 40.02 3k1q h LEU 600 CO -0.13 0.40 -0.50 0.74 -0.62 0.00 0.00 178.44 178.34 3k1q h THR 601 N -0.62 0.05 0.59 1.05 2.02 -0.64 -0.50 112.91 114.85 3k1q h THR 601 Ca -0.01 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.14 3k1q h THR 601 Cb 0.51 0.05 0.01 0.00 -1.74 0.00 0.00 68.15 66.98 3k1q h THR 601 CO 0.02 0.00 -0.28 0.77 0.37 0.00 0.00 175.52 176.40 3k1q h SER 602 N -0.47 -0.67 -0.87 4.18 4.64 -1.26 -3.33 113.55 115.77 3k1q h SER 602 Ca 0.07 -0.02 0.21 0.00 -0.47 0.00 0.00 61.79 61.58 3k1q h SER 602 Cb 0.64 0.17 -0.16 0.00 -0.31 0.00 0.00 62.40 62.74 3k1q h SER 602 CO -0.49 -0.39 -0.09 0.61 -0.87 0.00 0.00 176.83 175.60 3k1q n GLY 603 N -1.05 -1.30 0.31 -0.77 0.00 0.60 -1.56 105.19 101.41 3k1q n GLY 603 Ca -0.12 0.89 0.05 0.00 0.00 0.00 0.00 46.02 46.83 3k1q n GLY 603 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3k1q h VAL 604 N 0.00 0.84 -0.17 1.61 3.04 -1.20 -2.61 116.25 117.76 3k1q h VAL 604 Ca 0.48 -0.25 -0.00 0.00 -1.01 0.00 0.00 66.70 65.91 3k1q h VAL 604 Cb 0.89 0.03 -0.01 0.00 -2.01 0.00 0.00 31.29 30.19 3k1q h VAL 604 CO -0.85 0.14 0.09 1.23 -1.01 0.00 0.00 177.57 177.16 3k1q h GLY 605 N 0.74 0.26 0.00 3.17 0.00 -1.46 -0.47 103.07 105.31 3k1q h GLY 605 Ca 0.43 -0.12 0.14 0.00 0.00 0.00 0.00 47.33 47.78 3k1q h GLY 605 CO -0.30 0.11 0.13 -0.91 0.00 0.00 0.00 176.54 175.58 3k1q h THR 606 N 0.17 0.55 -0.65 4.70 1.35 -1.58 0.51 112.91 117.95 3k1q h THR 606 Ca 0.06 -0.08 0.09 0.00 -0.55 0.00 0.00 66.41 65.93 3k1q h THR 606 Cb 0.08 0.29 -0.04 0.00 -1.73 0.00 0.00 68.15 66.75 3k1q h THR 606 CO -0.01 0.04 0.43 0.00 -0.25 0.00 0.00 175.52 175.74 3k1q h ALA 607 N 1.56 1.90 0.31 6.62 0.00 -1.02 -1.76 119.26 126.88 3k1q h ALA 607 Ca 0.37 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.25 3k1q h ALA 607 Cb 0.60 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3k1q h ALA 607 CO -0.48 -0.04 -0.15 -0.07 0.00 0.00 0.00 179.25 178.51 3k1q h LEU 608 N 0.53 -0.36 -0.22 0.00 3.38 -0.46 -2.74 115.31 115.45 3k1q h LEU 608 Ca 0.30 -0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.22 3k1q h LEU 608 Cb 0.46 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 3k1q h LEU 608 CO -0.09 0.11 -0.13 -1.14 0.09 0.00 0.00 178.44 177.28 3k1q n ARG 609 N -5.06 -0.10 -0.54 1.13 0.63 0.11 -2.01 116.66 110.83 3k1q n ARG 609 Ca -0.06 0.75 0.08 0.00 -0.92 0.00 0.00 57.85 57.69 3k1q n ARG 609 Cb 0.20 -1.11 0.28 0.00 0.45 0.00 0.00 32.46 32.29 3k1q n ARG 609 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 3k1q n THR 610 N -3.37 2.39 -2.44 5.15 -2.24 -0.67 -5.03 114.28 108.07 3k1q n THR 610 Ca 0.00 -1.84 -0.41 0.00 -2.27 0.00 0.00 64.05 59.53 3k1q n THR 610 Cb 0.06 -0.27 -0.03 0.00 -2.10 0.00 0.00 70.33 67.99 3k1q n THR 610 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3k1q s GLY 611 N -1.77 2.66 -0.97 3.38 0.00 -0.85 -4.99 107.32 104.78 3k1q s GLY 611 Ca 0.45 0.86 -0.19 0.00 0.00 0.00 0.00 44.72 45.84 3k1q s GLY 611 CO 0.10 1.83 1.21 -1.35 0.00 0.00 0.00 173.10 174.89 3k1q s SER 612 N 0.33 6.66 0.00 1.64 1.04 -1.26 -4.70 113.70 117.41 3k1q s SER 612 Ca 0.53 -2.07 0.00 0.00 0.48 0.00 0.00 55.95 54.90 3k1q s SER 612 Cb -0.30 -2.42 0.00 0.00 0.10 0.00 0.00 66.02 63.39 3k1q s SER 612 CO 0.34 -1.09 0.00 0.18 0.98 0.00 0.00 173.24 173.64 3k1q n LEU 613 N 6.79 0.00 -4.55 2.42 4.77 -1.26 -4.71 117.00 120.46 3k1q n LEU 613 Ca 0.27 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.88 3k1q n LEU 613 Cb 0.49 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.55 3k1q n LEU 613 CO 0.54 0.00 2.02 0.61 -1.33 0.00 0.00 177.39 179.23 3k1q n GLY 614 N 0.07 0.23 2.94 -0.72 0.00 -1.26 -4.94 105.19 101.50 3k1q n GLY 614 Ca 0.00 0.66 -0.30 0.00 0.00 0.00 0.00 46.02 46.38 3k1q n GLY 614 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3k1q s LYS 615 N 8.18 1.85 -0.42 1.61 2.47 -1.26 -5.02 119.74 127.16 3k1q s LYS 615 Ca 0.98 -2.48 -0.41 0.00 -1.56 0.00 0.00 55.97 52.51 3k1q s LYS 615 Cb -0.19 -3.22 -0.16 0.00 -1.46 0.00 0.00 37.83 32.80 3k1q s LYS 615 CO 0.27 -1.09 2.04 0.41 0.16 0.00 0.00 175.35 177.14 3k1q n GLY 616 N 3.29 0.25 0.34 5.54 0.00 -1.26 -4.91 105.19 108.44 3k1q n GLY 616 Ca 0.05 1.02 0.11 0.00 0.00 0.00 0.00 46.02 47.20 3k1q n GLY 616 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3k1q h VAL 617 N 6.56 0.06 -0.38 1.61 3.04 -1.98 0.70 116.25 125.86 3k1q h VAL 617 Ca -0.25 -0.01 0.05 0.00 -1.01 0.00 0.00 66.70 65.48 3k1q h VAL 617 Cb 1.37 0.04 -0.08 0.00 -2.01 0.00 0.00 31.29 30.61 3k1q h VAL 617 CO 1.04 0.00 -0.53 0.71 -1.01 0.00 0.00 177.57 177.78 3k1q h THR 618 N 0.02 0.00 -0.23 3.17 1.35 -2.01 -1.96 112.91 113.25 3k1q h THR 618 Ca 0.55 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 66.39 3k1q h THR 618 Cb 1.06 0.00 -0.01 0.00 -1.73 0.00 0.00 68.15 67.46 3k1q h THR 618 CO -0.90 0.00 0.07 -0.78 -0.25 0.00 0.00 175.52 173.65 3k1q h ASP 619 N -0.38 0.29 0.89 5.36 3.58 -1.32 -2.16 116.42 122.69 3k1q h ASP 619 Ca 0.07 -0.03 -0.04 0.00 0.42 0.00 0.00 57.03 57.45 3k1q h ASP 619 Cb 0.57 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.54 3k1q h ASP 619 CO -0.56 0.30 -0.49 0.00 -2.88 0.00 0.00 179.24 175.61 3k1q h ALA 620 N 1.75 -1.32 -0.88 -0.78 0.00 -0.37 0.21 119.26 117.87 3k1q h ALA 620 Ca 0.08 -0.27 0.20 0.00 0.00 0.00 0.00 54.91 54.92 3k1q h ALA 620 Cb 0.12 0.58 -0.12 0.00 0.00 0.00 0.00 17.79 18.37 3k1q h ALA 620 CO -0.01 -1.25 0.40 0.66 0.00 0.00 0.00 179.25 179.06 3k1q h SER 621 N -1.28 0.38 -0.47 0.00 4.64 -1.37 0.26 113.55 115.71 3k1q h SER 621 Ca -0.12 0.14 -0.10 0.00 -0.47 0.00 0.00 61.79 61.24 3k1q h SER 621 Cb 1.00 0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 63.18 3k1q h SER 621 CO 0.16 0.06 -0.06 -0.33 -0.87 0.00 0.00 176.83 175.79 3k1q h GLU 622 N 0.46 0.92 -0.34 4.77 3.07 -0.61 -1.18 114.58 121.67 3k1q h GLU 622 Ca 0.53 -0.30 -0.09 0.00 -0.50 0.00 0.00 59.36 59.00 3k1q h GLU 622 Cb 0.95 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.77 3k1q h GLU 622 CO -0.48 0.95 -0.12 -0.22 -1.40 0.00 0.00 179.01 177.74 3k1q h LYS 623 N 0.84 0.68 -0.59 2.33 3.64 -0.24 0.10 116.57 123.34 3k1q h LYS 623 Ca 0.14 -0.28 0.12 0.00 -1.27 0.00 0.00 60.65 59.36 3k1q h LYS 623 Cb 0.58 -0.03 -0.11 0.00 -0.41 0.00 0.00 32.23 32.26 3k1q h LYS 623 CO 0.04 0.87 -0.14 1.25 -2.27 0.00 0.00 179.45 179.20 3k1q h LEU 624 N 0.46 -0.52 0.46 5.20 5.85 -0.91 0.12 115.31 125.96 3k1q h LEU 624 Ca 0.08 0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.95 3k1q h LEU 624 Cb 0.64 0.36 0.00 0.00 0.37 0.00 0.00 40.66 42.03 3k1q h LEU 624 CO 0.04 -0.19 -0.22 -0.09 -0.34 0.00 0.00 178.44 177.64 3k1q h ARG 625 N 0.01 -0.59 -0.90 1.25 1.12 -0.74 -1.51 114.38 113.01 3k1q h ARG 625 Ca 0.28 0.04 0.12 0.00 -1.11 0.00 0.00 59.98 59.31 3k1q h ARG 625 Cb 0.44 0.13 -0.07 0.00 -0.01 0.00 0.00 29.97 30.46 3k1q h ARG 625 CO -0.60 -0.31 0.58 0.00 -3.11 0.00 0.00 179.97 176.53 3k1q h ALA 626 N -0.34 1.71 -0.61 2.80 0.00 -0.26 -1.49 119.26 121.06 3k1q h ALA 626 Ca -0.06 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 3k1q h ALA 626 Cb 0.55 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 3k1q h ALA 626 CO 0.10 0.07 0.18 0.00 0.00 0.00 0.00 179.25 179.61 3k1q h ARG 627 N 0.81 0.92 0.13 0.00 3.08 -0.68 -0.72 114.38 117.92 3k1q h ARG 627 Ca 0.44 -0.18 -0.01 0.00 0.07 0.00 0.00 59.98 60.30 3k1q h ARG 627 Cb 0.56 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.46 3k1q h ARG 627 CO -0.20 0.80 -0.06 1.96 -1.07 0.00 0.00 179.97 181.39 3k1q h GLN 628 N 0.89 -0.17 -0.61 0.04 4.20 -0.25 -2.03 115.11 117.17 3k1q h GLN 628 Ca 0.20 0.01 0.09 0.00 0.06 0.00 0.00 58.65 59.01 3k1q h GLN 628 Cb 0.27 0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.05 3k1q h GLN 628 CO -0.01 0.16 0.41 0.66 -0.67 0.00 0.00 178.83 179.38 3k1q h SER 629 N -0.52 0.42 0.15 1.46 4.64 -1.11 0.36 113.55 118.95 3k1q h SER 629 Ca -0.02 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3k1q h SER 629 Cb 0.41 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.41 3k1q h SER 629 CO 0.03 0.26 -0.12 0.25 -0.87 0.00 0.00 176.83 176.37 3k1q h LEU 630 N 0.47 -0.32 -0.27 5.97 5.85 -0.51 -1.90 115.31 124.60 3k1q h LEU 630 Ca 0.28 0.03 0.07 0.00 0.84 0.00 0.00 57.88 59.09 3k1q h LEU 630 Cb 0.48 0.11 -0.07 0.00 0.37 0.00 0.00 40.66 41.54 3k1q h LEU 630 CO -0.08 -0.19 -0.24 0.74 -0.34 0.00 0.00 178.44 178.32 3k1q h THR 631 N -0.29 0.38 -0.42 1.05 2.02 -1.05 -0.46 112.91 114.14 3k1q h THR 631 Ca -0.00 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.25 3k1q h THR 631 Cb 0.26 0.38 -0.09 0.00 -1.74 0.00 0.00 68.15 66.96 3k1q h THR 631 CO -0.01 0.00 -0.41 0.58 0.37 0.00 0.00 175.52 176.04 3k1q h VAL 632 N -0.24 0.13 -0.51 3.16 2.07 -0.76 0.27 116.25 120.37 3k1q h VAL 632 Ca 0.15 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.66 3k1q h VAL 632 Cb 0.46 0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.34 3k1q h VAL 632 CO -0.41 0.00 0.28 0.00 0.02 0.00 0.00 177.57 177.46 3k1q h ALA 633 N 0.49 1.53 -0.17 1.67 0.00 -1.21 -0.74 119.26 120.83 3k1q h ALA 633 Ca 0.15 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3k1q h ALA 633 Cb 0.58 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3k1q h ALA 633 CO -0.58 0.39 0.11 0.87 0.00 0.00 0.00 179.25 180.04 3k1q h LYS 634 N 0.71 0.21 -0.48 0.00 1.57 -0.01 0.12 116.57 118.69 3k1q h LYS 634 Ca 0.18 -0.01 0.08 0.00 -1.87 0.00 0.00 60.65 59.03 3k1q h LYS 634 Cb 0.02 -0.05 -0.10 0.00 0.08 0.00 0.00 32.23 32.19 3k1q h LYS 634 CO -0.03 0.14 -0.44 1.96 -0.57 0.00 0.00 179.45 180.51 3k1q h GLN 635 N 0.22 -0.28 -0.94 3.15 1.08 -0.91 0.10 115.11 117.53 3k1q h GLN 635 Ca 0.06 0.02 0.14 0.00 -1.45 0.00 0.00 58.65 57.42 3k1q h GLN 635 Cb -0.02 0.06 -0.08 0.00 -0.05 0.00 0.00 27.48 27.40 3k1q h GLN 635 CO -0.02 -0.19 0.60 0.00 -0.95 0.00 0.00 178.83 178.27 3k1q h ALA 636 N 0.47 1.70 0.09 3.87 0.00 -0.75 0.78 119.26 125.41 3k1q h ALA 636 Ca 0.15 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3k1q h ALA 636 Cb 0.58 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3k1q h ALA 636 CO -0.63 0.05 -0.08 0.35 0.00 0.00 0.00 179.25 178.95 3k1q h PHE 637 N 0.82 -0.20 -0.78 0.00 3.57 0.14 -1.53 116.94 118.97 3k1q h PHE 637 Ca 0.47 0.00 0.08 0.00 3.53 0.00 0.00 57.97 62.06 3k1q h PHE 637 Cb 0.63 0.07 -0.07 0.00 2.79 0.00 0.00 35.95 39.38 3k1q h PHE 637 CO -0.00 -0.12 0.44 0.74 -2.23 0.00 0.00 178.31 177.13 3k1q h PHE 638 N -0.18 0.79 -0.53 0.41 0.04 -0.49 -0.15 116.94 116.84 3k1q h PHE 638 Ca 0.00 0.03 0.10 0.00 2.80 0.00 0.00 57.97 60.90 3k1q h PHE 638 Cb 0.17 -0.24 -0.08 0.00 2.20 0.00 0.00 35.95 37.99 3k1q h PHE 638 CO -0.10 0.34 0.04 -0.44 -0.60 0.00 0.00 178.31 177.55 3k1q h ASP 639 N 0.75 -0.13 -0.46 2.17 3.32 -0.38 0.61 116.42 122.29 3k1q h ASP 639 Ca 0.37 0.11 0.04 0.00 0.02 0.00 0.00 57.03 57.57 3k1q h ASP 639 Cb 0.31 0.19 -0.04 0.00 0.22 0.00 0.00 39.33 40.01 3k1q h ASP 639 CO -0.23 -0.04 0.23 -0.61 -1.72 0.00 0.00 179.24 176.87 3k1q h GLN 640 N 0.17 0.44 -0.57 3.56 -0.00 -0.49 0.33 115.11 118.54 3k1q h GLN 640 Ca 0.27 -0.03 0.01 0.00 -0.00 0.00 0.00 58.65 58.90 3k1q h GLN 640 Cb 0.40 -0.10 -0.03 0.00 0.00 0.00 0.00 27.48 27.75 3k1q h GLN 640 CO -0.40 0.29 0.37 0.82 0.00 0.00 0.00 178.83 179.91 3k1q h ILE 641 N 0.45 1.13 -0.84 2.39 2.04 -0.45 -0.99 117.51 121.24 3k1q h ILE 641 Ca 0.20 -0.26 0.15 0.00 1.00 0.00 0.00 64.86 65.96 3k1q h ILE 641 Cb 0.12 0.31 -0.10 0.00 -0.74 0.00 0.00 36.82 36.41 3k1q h ILE 641 CO -0.15 0.14 0.42 1.23 0.00 0.00 0.00 178.15 179.79 3k1q h GLY 642 N 0.75 1.37 0.99 5.37 0.00 0.66 -1.27 103.07 110.94 3k1q h GLY 642 Ca 0.22 -0.23 -0.00 0.00 0.00 0.00 0.00 47.33 47.31 3k1q h GLY 642 CO -0.06 -0.07 0.28 1.48 0.00 0.00 0.00 176.54 178.18 3k1q h SER 643 N 0.58 0.58 0.75 0.19 4.64 -0.18 -1.32 113.55 118.79 3k1q h SER 643 Ca 0.47 -0.06 -0.25 0.00 -0.47 0.00 0.00 61.79 61.47 3k1q h SER 643 Cb 0.69 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.61 3k1q h SER 643 CO -0.38 0.47 -1.27 -0.07 -0.87 0.00 0.00 176.83 174.71 3k1q h LEU 644 N 0.64 0.13 -6.34 5.97 3.38 -0.24 -3.39 115.31 115.46 3k1q h LEU 644 Ca 0.17 -0.17 -0.42 0.00 0.09 0.00 0.00 57.88 57.56 3k1q h LEU 644 Cb 0.01 -0.04 -0.32 0.00 0.09 0.00 0.00 40.66 40.39 3k1q h LEU 644 CO -0.03 1.14 -0.73 0.86 0.09 0.00 0.00 178.44 179.76 3k1q s TRP 645 N -2.66 -0.05 -0.91 1.13 -0.00 -0.57 -5.05 118.94 110.82 3k1q s TRP 645 Ca -0.03 -1.09 -0.25 0.00 -0.00 0.00 0.00 56.10 54.74 3k1q s TRP 645 Cb 0.09 -0.51 -0.18 0.00 -0.00 0.00 0.00 33.47 32.87 3k1q s TRP 645 CO 0.84 -0.95 1.93 -0.35 -0.00 0.00 0.00 176.95 178.42 3k1q n PRO 646 N 4.03 1.01 -1.50 5.86 -0.04 -0.50 -4.53 135.00 139.34 3k1q n PRO 646 Ca 0.13 -1.96 -0.44 0.00 -0.04 0.00 0.00 63.50 61.19 3k1q n PRO 646 Cb 0.44 -3.44 -0.06 0.00 -0.04 0.00 0.00 33.50 30.40 3k1q n PRO 646 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3k1q n GLY 647 N 5.49 0.36 2.57 0.55 0.00 -1.24 -4.85 105.19 108.08 3k1q n GLY 647 Ca 0.45 0.86 0.00 0.00 0.00 0.00 0.00 46.02 47.34 3k1q n GLY 647 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90