#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 3.06 -0.45 1.09 -0.85 -1.26 -5.07 117.35 113.86 3k1q s TYR 11 Ca 0.00 0.06 -0.43 0.00 -0.52 0.00 0.00 57.07 56.18 3k1q s TYR 11 Cb 0.00 -1.79 -0.18 0.00 0.38 0.00 0.00 41.96 40.38 3k1q s TYR 11 CO 0.00 0.34 1.97 -1.71 -1.52 0.00 0.00 175.55 174.63 3k1q n ASN 12 N 2.38 1.27 0.23 -0.18 5.15 -1.26 -4.85 115.26 118.00 3k1q n ASN 12 Ca -0.18 0.81 0.10 0.00 -0.60 0.00 0.00 54.58 54.71 3k1q n ASN 12 Cb 0.53 -0.98 0.56 0.00 -0.53 0.00 0.00 39.78 39.36 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 6.31 0.70 -0.33 -1.44 3.07 -1.97 -3.35 117.51 120.51 3k1q h ILE 13 Ca -0.25 -0.91 -0.24 0.00 1.55 0.00 0.00 64.86 65.00 3k1q h ILE 13 Cb 1.38 1.57 -0.09 0.00 -0.27 0.00 0.00 36.82 39.41 3k1q h ILE 13 CO 1.04 0.21 0.01 0.35 -1.05 0.00 0.00 178.15 178.71 3k1q n THR 14 N -3.62 2.82 -4.75 0.16 -2.24 -1.26 -4.31 114.28 101.07 3k1q n THR 14 Ca -0.01 -1.66 -0.33 0.00 -2.27 0.00 0.00 64.05 59.78 3k1q n THR 14 Cb 0.34 -1.69 -0.07 0.00 -2.10 0.00 0.00 70.33 66.81 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 1.32 3.04 0.07 3.38 0.00 -1.25 -4.99 107.32 108.87 3k1q s GLY 15 Ca 0.45 -0.31 0.05 0.00 0.00 0.00 0.00 44.72 44.91 3k1q s GLY 15 CO -0.05 -2.18 -0.08 0.51 0.00 0.00 0.00 173.10 171.30 3k1q s ASP 16 N -3.87 4.54 0.00 1.64 -4.77 -1.22 -3.84 116.67 109.14 3k1q s ASP 16 Ca 0.05 -0.28 0.00 0.00 -3.30 0.00 0.00 52.55 49.02 3k1q s ASP 16 Cb 0.01 -0.96 0.00 0.00 -1.09 0.00 0.00 42.92 40.88 3k1q s ASP 16 CO 0.03 0.22 0.00 0.61 0.70 0.00 0.00 175.17 176.72 3k1q n GLY 17 N 1.00 2.16 3.64 2.12 0.00 -0.94 -3.82 105.19 109.35 3k1q n GLY 17 Ca -0.14 0.00 -0.42 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 -1.78 6.20 0.18 1.61 2.20 0.06 -4.77 114.94 118.63 3k1q s ASN 18 Ca 0.00 2.19 -0.30 0.00 -0.94 0.00 0.00 52.86 53.81 3k1q s ASN 18 Cb 0.00 -2.53 -0.07 0.00 -2.00 0.00 0.00 41.25 36.65 3k1q s ASN 18 CO 0.00 -1.32 0.99 -0.55 -2.94 0.00 0.00 177.10 173.28 3k1q s SER 19 N 5.28 7.48 -0.70 3.54 0.15 -1.26 -4.13 113.70 124.06 3k1q s SER 19 Ca 0.86 1.94 0.03 0.00 0.70 0.00 0.00 55.95 59.48 3k1q s SER 19 Cb -0.35 -2.60 0.17 0.00 -1.71 0.00 0.00 66.02 61.53 3k1q s SER 19 CO 0.36 -0.03 0.50 0.12 1.20 0.00 0.00 173.24 175.39 3k1q s PHE 20 N -0.50 3.55 -0.65 3.44 5.36 -1.26 -2.81 117.98 125.11 3k1q s PHE 20 Ca 0.45 -3.19 0.05 0.00 -0.96 0.00 0.00 56.93 53.28 3k1q s PHE 20 Cb -0.26 -2.89 0.16 0.00 -0.34 0.00 0.00 43.02 39.69 3k1q s PHE 20 CO 0.32 -0.65 0.43 0.95 -1.46 0.00 0.00 175.22 174.81 3k1q s THR 21 N -1.08 2.78 -0.18 0.12 -4.23 -0.97 -2.92 115.64 109.15 3k1q s THR 21 Ca 0.23 -4.01 -0.29 0.00 -1.18 0.00 0.00 61.69 56.44 3k1q s THR 21 Cb -0.11 -2.85 -0.03 0.00 1.34 0.00 0.00 72.50 70.86 3k1q s THR 21 CO -0.11 -0.96 1.49 -2.16 -0.54 0.00 0.00 174.62 172.34 3k1q s PRO 22 N -1.14 4.01 0.08 3.99 0.04 -1.20 -4.46 135.00 136.31 3k1q s PRO 22 Ca 0.23 1.71 0.06 0.00 0.04 0.00 0.00 61.00 63.04 3k1q s PRO 22 Cb -0.10 -3.93 -0.03 0.00 0.04 0.00 0.00 34.50 30.48 3k1q s PRO 22 CO -0.12 -1.02 -0.16 0.95 0.04 0.00 0.00 177.00 176.68 3k1q s THR 23 N 4.40 1.30 0.49 1.26 -4.23 -1.26 -1.00 115.64 116.60 3k1q s THR 23 Ca 0.65 -1.34 0.21 0.00 -1.18 0.00 0.00 61.69 60.03 3k1q s THR 23 Cb -0.25 -1.22 0.38 0.00 1.34 0.00 0.00 72.50 72.75 3k1q s THR 23 CO 0.25 -0.14 1.97 0.77 -0.54 0.00 0.00 174.62 176.92 3k1q h SER 24 N 4.31 0.17 -0.64 3.99 4.64 0.73 0.19 113.55 126.94 3k1q h SER 24 Ca -0.42 0.01 0.02 0.00 -0.47 0.00 0.00 61.79 60.93 3k1q h SER 24 Cb 1.19 -0.03 -0.03 0.00 -0.31 0.00 0.00 62.40 63.22 3k1q h SER 24 CO 0.40 0.09 0.42 -0.78 -0.87 0.00 0.00 176.83 176.09 3k1q h ASP 25 N 0.18 0.68 -1.61 4.97 3.58 -1.85 -3.29 116.42 119.08 3k1q h ASP 25 Ca 0.29 -0.01 -0.63 0.00 0.42 0.00 0.00 57.03 57.11 3k1q h ASP 25 Cb 0.91 -0.16 -0.39 0.00 1.72 0.00 0.00 39.33 41.41 3k1q h ASP 25 CO -0.05 0.48 -0.36 0.23 -2.88 0.00 0.00 179.24 176.66 3k1q n MET 26 N -4.45 3.29 -2.18 0.28 2.81 0.67 -3.76 117.12 113.77 3k1q n MET 26 Ca 0.07 -4.30 -0.42 0.00 -1.81 0.00 0.00 57.70 51.25 3k1q n MET 26 Cb 0.10 -2.25 -0.03 0.00 -0.71 0.00 0.00 33.22 30.33 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 -5.43 3.61 0.00 2.03 2.01 -1.21 -4.57 115.64 112.08 3k1q s THR 27 Ca 0.49 0.55 0.00 0.00 0.31 0.00 0.00 61.69 63.04 3k1q s THR 27 Cb 0.41 -4.03 0.00 0.00 0.01 0.00 0.00 72.50 68.89 3k1q s THR 27 CO -0.23 -0.80 0.00 -1.20 -0.69 0.00 0.00 174.62 171.70 3k1q n SER 28 N 10.40 0.00 -3.64 3.53 7.64 -1.26 -4.81 113.62 125.48 3k1q n SER 28 Ca 0.18 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 60.04 3k1q n SER 28 Cb 0.49 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.66 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 -5.09 115.64 108.41 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 0.31 0.00 -3.70 11.08 0.00 -1.26 -4.92 120.51 122.02 3k1q n ALA 30 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.08 3k1q n ALA 30 Cb 0.58 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.93 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 3.52 0.02 0.00 0.00 -1.26 -5.00 121.76 117.05 3k1q s ALA 31 Ca 0.00 -3.10 -0.27 0.00 0.00 0.00 0.00 51.96 48.59 3k1q s ALA 31 Cb 0.00 -2.67 -0.17 0.00 0.00 0.00 0.00 23.12 20.28 3k1q s ALA 31 CO 0.00 -2.05 1.30 -1.35 0.00 0.00 0.00 175.76 173.67 3k1q h PRO 32 N 7.32 -0.59 -3.23 0.00 0.11 -2.05 -3.47 132.00 130.09 3k1q h PRO 32 Ca -0.04 0.04 -0.09 0.00 0.11 0.00 0.00 66.00 66.02 3k1q h PRO 32 Cb 0.98 0.14 -0.17 0.00 0.11 0.00 0.00 31.00 32.05 3k1q h PRO 32 CO 0.72 -0.30 -0.22 0.00 -0.21 0.00 0.00 178.00 177.99 3k1q s ALA 33 N -5.16 -0.75 0.25 -0.75 0.00 -1.26 -5.16 121.76 108.93 3k1q s ALA 33 Ca -0.15 0.09 0.10 0.00 0.00 0.00 0.00 51.96 52.00 3k1q s ALA 33 Cb 0.02 0.31 -0.05 0.00 0.00 0.00 0.00 23.12 23.41 3k1q s ALA 33 CO 0.54 -0.41 -0.10 0.96 0.00 0.00 0.00 175.76 176.75 3k1q s ILE 34 N -2.44 3.01 0.00 0.00 -5.25 -1.26 -5.09 121.20 110.17 3k1q s ILE 34 Ca -0.06 -2.03 -0.30 0.00 -0.99 0.00 0.00 60.65 57.28 3k1q s ILE 34 Cb -0.01 -2.57 -0.08 0.00 2.95 0.00 0.00 42.46 42.75 3k1q s ILE 34 CO -0.03 -0.31 1.84 -0.62 -1.79 0.00 0.00 174.94 174.03 3k1q s ASP 35 N -3.39 6.53 -0.31 4.36 2.15 -1.26 -4.92 116.67 119.84 3k1q s ASP 35 Ca 0.29 2.51 0.11 0.00 0.43 0.00 0.00 52.55 55.89 3k1q s ASP 35 Cb -0.07 -2.53 0.46 0.00 -0.30 0.00 0.00 42.92 40.49 3k1q s ASP 35 CO 0.17 -1.00 1.13 -0.11 -0.17 0.00 0.00 175.17 175.19 3k1q n LEU 36 N 7.32 3.77 -4.76 -1.34 7.94 -1.26 -4.98 117.00 123.69 3k1q n LEU 36 Ca 0.19 -4.34 -0.41 0.00 -1.11 0.00 0.00 56.01 50.35 3k1q n LEU 36 Cb 0.42 -0.10 -0.04 0.00 0.53 0.00 0.00 43.42 44.23 3k1q n LEU 36 CO 0.66 1.83 0.86 -0.75 -1.11 0.00 0.00 177.39 178.88 3k1q s LYS 37 N -3.59 4.53 0.18 1.96 2.20 -1.26 -4.83 119.74 118.93 3k1q s LYS 37 Ca 0.43 1.94 -0.16 0.00 -0.36 0.00 0.00 55.97 57.81 3k1q s LYS 37 Cb 0.39 -3.16 0.13 0.00 -1.51 0.00 0.00 37.83 33.68 3k1q s LYS 37 CO -0.02 0.04 1.66 -1.35 -0.36 0.00 0.00 175.35 175.32 3k1q h PRO 38 N 3.98 0.00 -0.96 4.03 0.11 -2.00 0.67 132.00 137.82 3k1q h PRO 38 Ca -0.47 -0.00 0.31 0.00 0.11 0.00 0.00 66.00 65.95 3k1q h PRO 38 Cb 1.22 -0.00 -0.17 0.00 0.11 0.00 0.00 31.00 32.16 3k1q h PRO 38 CO 0.68 0.00 0.31 0.78 -0.21 0.00 0.00 178.00 179.56 3k1q h GLY 39 N 0.00 1.68 2.00 -0.55 0.00 -2.04 -0.06 103.07 104.11 3k1q h GLY 39 Ca 0.22 -0.04 -0.08 0.00 0.00 0.00 0.00 47.33 47.43 3k1q h GLY 39 CO -0.47 -0.55 -0.38 -2.08 0.00 0.00 0.00 176.54 173.06 3k1q h VAL 40 N 0.11 0.68 -0.04 4.60 2.07 -1.25 -3.28 116.25 119.14 3k1q h VAL 40 Ca 0.67 -1.85 0.01 0.00 0.82 0.00 0.00 66.70 66.35 3k1q h VAL 40 Cb 1.54 2.25 -0.00 0.00 -1.52 0.00 0.00 31.29 33.56 3k1q h VAL 40 CO -0.76 0.37 0.03 -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 -0.17 -3.40 115.31 117.69 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 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 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 -4.23 0.00 0.00 -0.43 4.05 -1.24 -4.82 115.26 108.59 3k1q n ASN 42 Ca -0.02 0.80 0.00 0.00 0.45 0.00 0.00 54.58 55.81 3k1q n ASN 42 Cb 0.13 -0.30 0.00 0.00 1.23 0.00 0.00 39.78 40.83 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 -1.42 0.00 0.00 1.20 -0.02 -1.26 -4.54 135.00 128.96 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 -1.99 114.28 118.34 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 1.48 0.36 1.09 0.00 -1.26 -4.74 107.32 104.25 3k1q s GLY 45 Ca 0.00 1.29 -0.25 0.00 0.00 0.00 0.00 44.72 45.76 3k1q s GLY 45 CO 0.00 2.97 0.98 1.25 0.00 0.00 0.00 173.10 178.30 3k1q s LYS 46 N 2.65 4.42 -0.13 2.90 2.47 -0.97 -1.19 119.74 129.88 3k1q s LYS 46 Ca 0.76 1.36 -0.21 0.00 -1.56 0.00 0.00 55.97 56.32 3k1q s LYS 46 Cb -0.42 -2.65 -0.03 0.00 -1.46 0.00 0.00 37.83 33.27 3k1q s LYS 46 CO 0.34 0.12 0.63 -1.17 0.16 0.00 0.00 175.35 175.43 3k1q s LEU 47 N -2.36 4.23 0.00 5.43 0.20 -1.25 -1.87 118.68 123.07 3k1q s LEU 47 Ca 0.54 0.97 0.00 0.00 0.69 0.00 0.00 54.13 56.33 3k1q s LEU 47 Cb -0.19 -2.93 -0.00 0.00 -0.43 0.00 0.00 46.19 42.64 3k1q s LEU 47 CO 0.24 -0.17 0.01 0.79 -0.29 0.00 0.00 176.35 176.93 3k1q n TRP 48 N 4.33 0.25 -3.69 5.38 7.02 0.66 -1.98 117.44 129.41 3k1q n TRP 48 Ca -0.02 -0.72 -0.14 0.00 -1.02 0.00 0.00 57.50 55.60 3k1q n TRP 48 Cb 0.51 -0.07 -0.08 0.00 -2.42 0.00 0.00 31.31 29.24 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 -2.50 0.69 -0.70 -0.99 1.81 -0.44 -0.78 118.95 116.03 3k1q s ARG 49 Ca 0.02 0.40 -0.25 0.00 -1.72 0.00 0.00 55.73 54.18 3k1q s ARG 49 Cb 0.00 0.32 -0.21 0.00 -0.45 0.00 0.00 34.95 34.62 3k1q s ARG 49 CO 0.01 -0.14 1.86 -0.35 -0.68 0.00 0.00 175.30 176.00 3k1q n PRO 50 N 2.10 0.97 0.00 3.54 -0.04 -1.26 -1.99 135.00 138.32 3k1q n PRO 50 Ca -0.16 -1.75 0.00 0.00 -0.04 0.00 0.00 63.50 61.54 3k1q n PRO 50 Cb 0.56 -3.12 0.00 0.00 -0.04 0.00 0.00 33.50 30.91 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 7.03 0.00 0.00 0.52 0.31 -0.76 -3.01 118.33 122.43 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 0.43 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.36 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 0.13 3.60 2.92 0.00 -1.26 -4.52 105.19 106.06 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 1.56 0.48 2.61 -4.23 -1.16 -5.09 115.64 109.80 3k1q s THR 53 Ca 0.00 0.00 -0.08 0.00 -1.18 0.00 0.00 61.69 60.43 3k1q s THR 53 Cb 0.00 -2.51 0.12 0.00 1.34 0.00 0.00 72.50 71.45 3k1q s THR 53 CO 0.00 0.00 0.31 -1.54 -0.54 0.00 0.00 174.62 172.85 3k1q n SER 54 N -4.80 -2.40 -4.56 3.99 3.41 -1.26 -4.74 113.62 103.26 3k1q n SER 54 Ca 0.15 -0.40 -0.41 0.00 -0.26 0.00 0.00 58.87 57.94 3k1q n SER 54 Cb 0.60 -0.34 -0.03 0.00 -0.26 0.00 0.00 64.21 64.18 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 -1.45 3.96 0.00 -3.33 1.01 -1.26 -3.54 120.40 115.80 3k1q s VAL 55 Ca 0.23 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.36 3k1q s VAL 55 Cb -0.04 -5.05 0.00 0.00 0.00 0.00 0.00 36.38 31.29 3k1q s VAL 55 CO 0.19 -1.93 0.00 0.00 0.00 0.00 0.00 175.10 173.36 3k1q n ALA 56 N 8.77 0.28 0.43 5.51 0.00 -1.26 -5.02 120.51 129.23 3k1q n ALA 56 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.77 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 -2.49 0.00 -0.41 0.00 -2.24 -1.23 -4.45 114.28 103.47 3k1q n THR 57 Ca 0.00 0.00 0.35 0.00 -2.27 0.00 0.00 64.05 62.13 3k1q n THR 57 Cb 0.00 -0.22 0.63 0.00 -2.10 0.00 0.00 70.33 68.63 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 0.07 -0.68 2.28 2.04 -1.88 0.29 117.51 119.63 3k1q h ILE 58 Ca 0.00 -0.02 0.20 0.00 1.00 0.00 0.00 64.86 66.04 3k1q h ILE 58 Cb 0.22 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.28 3k1q h ILE 58 CO 0.00 0.01 0.73 -2.24 0.00 0.00 0.00 178.15 176.65 3k1q h ASP 59 N 0.06 0.00 -3.31 1.72 3.04 -1.93 -3.39 116.42 112.61 3k1q h ASP 59 Ca 0.84 0.00 -0.54 0.00 -3.24 0.00 0.00 57.03 54.09 3k1q h ASP 59 Cb 2.48 0.00 -0.35 0.00 -1.04 0.00 0.00 39.33 40.42 3k1q h ASP 59 CO -0.55 0.00 -0.82 -0.44 -2.04 0.00 0.00 179.24 175.39 3k1q s SER 60 N -4.67 2.07 -0.03 4.15 0.01 0.09 -5.10 113.70 110.22 3k1q s SER 60 Ca -0.04 -0.34 0.05 0.00 1.31 0.00 0.00 55.95 56.94 3k1q s SER 60 Cb 0.16 -0.90 -0.01 0.00 0.21 0.00 0.00 66.02 65.47 3k1q s SER 60 CO 0.54 -0.01 -0.18 -0.76 0.41 0.00 0.00 173.24 173.24 3k1q s LEU 61 N 1.04 1.97 -0.15 2.44 1.43 -1.26 -1.82 118.68 122.33 3k1q s LEU 61 Ca -0.07 -0.35 -0.05 0.00 -1.03 0.00 0.00 54.13 52.63 3k1q s LEU 61 Cb -0.15 -0.97 -0.03 0.00 0.03 0.00 0.00 46.19 45.07 3k1q s LEU 61 CO -0.01 0.19 0.01 0.00 0.23 0.00 0.00 176.35 176.77 3k1q s ALA 62 N -0.18 3.23 0.31 4.21 0.00 -0.84 -4.88 121.76 123.61 3k1q s ALA 62 Ca 0.01 -0.78 -0.30 0.00 0.00 0.00 0.00 51.96 50.89 3k1q s ALA 62 Cb -0.10 -1.70 -0.11 0.00 0.00 0.00 0.00 23.12 21.22 3k1q s ALA 62 CO 0.01 0.27 1.57 0.96 0.00 0.00 0.00 175.76 178.57 3k1q s ILE 63 N 0.13 2.09 1.18 0.00 -5.25 -1.26 -1.33 121.20 116.75 3k1q s ILE 63 Ca 0.02 0.07 -0.17 0.00 -0.99 0.00 0.00 60.65 59.58 3k1q s ILE 63 Cb -0.13 -3.05 0.24 0.00 2.95 0.00 0.00 42.46 42.48 3k1q s ILE 63 CO 0.02 0.01 0.52 1.33 -1.79 0.00 0.00 174.94 175.03 3k1q n VAL 64 N 1.83 0.00 -2.54 8.37 0.24 -0.84 -4.74 118.33 120.66 3k1q n VAL 64 Ca 0.07 -0.08 -0.42 0.00 -2.04 0.00 0.00 64.34 61.87 3k1q n VAL 64 Cb 0.38 -0.69 -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 -2.34 6.65 0.45 -1.34 0.15 -0.78 -4.73 113.70 111.76 3k1q s SER 65 Ca 0.50 -2.23 0.14 0.00 0.70 0.00 0.00 55.95 55.06 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 0.46 -1.36 1.99 -2.24 1.20 0.00 0.00 173.24 173.28 3k1q h ASP 66 N 8.09 0.00 -0.32 5.45 -0.00 -1.60 0.11 116.42 128.15 3k1q h ASP 66 Ca 0.39 0.00 0.06 0.00 -0.00 0.00 0.00 57.03 57.48 3k1q h ASP 66 Cb 0.90 0.00 -0.06 0.00 -0.00 0.00 0.00 39.33 40.17 3k1q h ASP 66 CO 1.44 0.19 -0.11 0.54 -0.00 0.00 0.00 179.24 181.30 3k1q n ARG 67 N -4.31 -0.06 0.00 4.15 1.74 -1.26 -3.79 116.66 113.13 3k1q n ARG 67 Ca -0.02 0.50 0.00 0.00 -0.77 0.00 0.00 57.85 57.55 3k1q n ARG 67 Cb 0.25 -0.74 0.00 0.00 -1.02 0.00 0.00 32.46 30.95 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 -1.08 -5.12 117.46 106.39 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 0.10 0.00 0.00 -1.61 0.00 0.00 39.48 38.11 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 1.84 0.00 4.97 0.00 0.37 -4.90 105.19 107.47 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 -0.35 1.61 3.00 -1.17 -3.66 117.38 116.82 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 -0.52 -1.21 1.08 4.01 -1.26 -1.87 117.16 117.39 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 -0.61 -0.73 -4.57 7.72 7.64 -1.26 -3.92 113.62 117.89 3k1q n SER 72 Ca 0.00 0.57 -0.53 0.00 1.01 0.00 0.00 58.87 59.93 3k1q n SER 72 Cb 0.00 -1.28 -0.07 0.00 -1.01 0.00 0.00 64.21 61.85 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 -2.65 1.87 -1.87 1.43 7.35 -0.33 -3.52 117.46 119.74 3k1q n PHE 73 Ca 0.11 0.31 -0.40 0.00 -0.76 0.00 0.00 57.45 56.70 3k1q n PHE 73 Cb 0.50 -2.53 0.01 0.00 0.35 0.00 0.00 39.48 37.81 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 5.56 2.22 -0.64 -2.13 1.01 0.21 -3.32 120.40 123.33 3k1q s VAL 74 Ca 1.03 0.21 -0.26 0.00 0.00 0.00 0.00 61.98 62.96 3k1q s VAL 74 Cb -0.90 -3.12 -0.07 0.00 0.00 0.00 0.00 36.38 32.28 3k1q s VAL 74 CO 0.55 0.03 2.25 0.21 0.00 0.00 0.00 175.10 178.14 3k1q s ASN 75 N -0.48 4.54 0.15 3.32 3.84 -0.84 -4.66 114.94 120.80 3k1q s ASN 75 Ca 0.58 0.47 -0.01 0.00 0.21 0.00 0.00 52.86 54.11 3k1q s ASN 75 Cb -0.43 -2.53 0.32 0.00 -0.55 0.00 0.00 41.25 38.07 3k1q s ASN 75 CO 0.56 -3.02 0.77 1.21 -2.79 0.00 0.00 177.10 173.83 3k1q n GLU 76 N 8.98 -0.04 -0.05 0.43 2.13 -1.26 -0.68 120.64 130.15 3k1q n GLU 76 Ca 0.36 0.75 -0.15 0.00 0.66 0.00 0.00 57.16 58.78 3k1q n GLU 76 Cb 0.50 -1.17 -0.07 0.00 0.27 0.00 0.00 31.44 30.98 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 0.72 1.01 8.31 0.00 -1.94 -1.93 103.07 109.25 3k1q h GLY 77 Ca 0.28 -0.90 -0.07 0.00 0.00 0.00 0.00 47.33 46.64 3k1q h GLY 77 CO -0.48 0.80 0.05 1.98 0.00 0.00 0.00 176.54 178.89 3k1q h MET 78 N 0.34 0.89 -0.38 4.80 1.85 -1.78 0.33 114.93 120.98 3k1q h MET 78 Ca -0.01 -0.26 0.08 0.00 -0.61 0.00 0.00 59.70 58.90 3k1q h MET 78 Cb 1.09 -0.09 -0.07 0.00 0.43 0.00 0.00 31.60 32.96 3k1q h MET 78 CO 0.10 0.89 -0.11 0.07 -0.40 0.00 0.00 176.91 177.47 3k1q h ARG 79 N 0.77 -0.02 -0.11 0.39 0.11 -0.79 0.18 114.38 114.91 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 0.46 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.53 3k1q h ARG 79 CO 0.02 -0.01 0.06 0.93 0.10 0.00 0.00 179.97 181.06 3k1q h GLU 80 N -0.02 0.16 0.25 0.08 5.08 -0.92 -1.67 114.58 117.53 3k1q h GLU 80 Ca 0.18 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.53 3k1q h GLU 80 Cb 0.30 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 3k1q h GLU 80 CO -0.40 0.20 -0.39 1.79 -1.00 0.00 0.00 179.01 179.21 3k1q h THR 81 N 0.07 0.20 -0.92 1.13 1.35 -0.27 -2.92 112.91 111.55 3k1q h THR 81 Ca 0.04 0.00 0.11 0.00 -0.55 0.00 0.00 66.41 66.01 3k1q h THR 81 Cb 0.10 0.20 -0.08 0.00 -1.73 0.00 0.00 68.15 66.64 3k1q h THR 81 CO -0.01 0.00 0.55 -0.26 -0.25 0.00 0.00 175.52 175.56 3k1q h PHE 82 N -0.71 1.00 -0.90 4.73 0.04 -0.62 -1.82 116.94 118.67 3k1q h PHE 82 Ca -0.00 0.03 0.03 0.00 2.80 0.00 0.00 57.97 60.83 3k1q h PHE 82 Cb 0.68 -0.31 -0.05 0.00 2.20 0.00 0.00 35.95 38.47 3k1q h PHE 82 CO -0.29 0.40 0.59 1.03 -0.60 0.00 0.00 178.31 179.44 3k1q h SER 83 N 0.89 0.99 -0.64 2.17 0.87 -1.33 -1.87 113.55 114.63 3k1q h SER 83 Ca 0.45 -0.01 0.02 0.00 -1.23 0.00 0.00 61.79 61.02 3k1q h SER 83 Cb 0.44 -0.23 -0.04 0.00 -0.44 0.00 0.00 62.40 62.14 3k1q h SER 83 CO -0.26 0.69 0.41 0.11 -0.53 0.00 0.00 176.83 177.25 3k1q h LYS 84 N 1.16 0.81 -0.46 2.24 1.79 -1.16 -2.74 116.57 118.21 3k1q h LYS 84 Ca 0.35 -0.05 0.05 0.00 -2.18 0.00 0.00 60.65 58.83 3k1q h LYS 84 Cb -0.04 -0.18 -0.05 0.00 -1.58 0.00 0.00 32.23 30.38 3k1q h LYS 84 CO -0.10 0.53 0.18 0.00 -1.08 0.00 0.00 179.45 178.98 3k1q h ALA 85 N 1.25 0.56 -0.38 3.86 0.00 -1.07 -1.83 119.26 121.66 3k1q h ALA 85 Ca 0.25 0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.29 3k1q h ALA 85 Cb -0.05 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3k1q h ALA 85 CO -0.07 -0.20 0.26 1.25 0.00 0.00 0.00 179.25 180.49 3k1q h LEU 86 N 0.36 0.12 -0.95 0.00 5.85 -1.06 -2.67 115.31 116.97 3k1q h LEU 86 Ca 0.21 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.86 3k1q h LEU 86 Cb 0.19 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 3k1q h LEU 86 CO -0.20 0.07 -0.06 -0.26 -0.34 0.00 0.00 178.44 177.65 3k1q h PHE 87 N 0.13 0.75 -0.82 1.25 0.05 -1.12 -2.32 116.94 114.86 3k1q h PHE 87 Ca 0.17 -0.11 0.14 0.00 3.82 0.00 0.00 57.97 61.99 3k1q h PHE 87 Cb 0.52 -0.20 -0.15 0.00 2.00 0.00 0.00 35.95 38.12 3k1q h PHE 87 CO -0.00 0.74 -0.32 -0.44 -0.18 0.00 0.00 178.31 178.11 3k1q h ASP 88 N 0.65 -1.16 -0.83 2.17 3.32 -1.29 -1.56 116.42 117.72 3k1q h ASP 88 Ca 0.12 0.27 -0.02 0.00 0.02 0.00 0.00 57.03 57.42 3k1q h ASP 88 Cb 0.50 0.63 -0.04 0.00 0.22 0.00 0.00 39.33 40.64 3k1q h ASP 88 CO 0.03 -0.29 0.43 0.40 -1.72 0.00 0.00 179.24 178.09 3k1q h ILE 89 N -0.06 1.25 -0.25 0.35 1.08 -1.51 -2.36 117.51 116.00 3k1q h ILE 89 Ca 0.33 -0.65 0.05 0.00 -0.39 0.00 0.00 64.86 64.20 3k1q h ILE 89 Cb 0.59 0.14 -0.01 0.00 -3.07 0.00 0.00 36.82 34.47 3k1q h ILE 89 CO -0.86 0.29 0.18 0.78 -0.69 0.00 0.00 178.15 177.85 3k1q h ASN 90 N 1.17 0.09 -0.02 1.72 -0.26 -1.15 0.04 115.58 117.16 3k1q h ASN 90 Ca 0.29 -0.00 0.01 0.00 -0.56 0.00 0.00 56.30 56.04 3k1q h ASN 90 Cb 0.06 -0.02 -0.00 0.00 -1.06 0.00 0.00 38.32 37.30 3k1q h ASN 90 CO -0.04 0.06 0.02 0.24 -1.06 0.00 0.00 177.43 176.65 3k1q h MET 91 N 0.10 0.00 -0.32 0.81 2.86 -0.73 -0.84 114.93 116.81 3k1q h MET 91 Ca 0.12 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 3k1q h MET 91 Cb 0.34 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.00 3k1q h MET 91 CO -0.01 0.00 0.00 0.91 1.06 0.00 0.00 176.91 178.87 3k1q n TRP 92 N -3.84 0.89 -0.25 -0.22 8.01 -0.01 -4.77 117.44 117.25 3k1q n TRP 92 Ca -0.02 -0.76 0.06 0.00 -1.31 0.00 0.00 57.50 55.47 3k1q n TRP 92 Cb 0.11 -0.24 0.19 0.00 -2.01 0.00 0.00 31.31 29.35 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 2.07 0.21 -0.09 -0.99 4.15 -1.02 0.57 115.11 120.01 3k1q h GLN 93 Ca 0.00 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.41 3k1q h GLN 93 Cb 1.28 -0.05 -0.00 0.00 0.21 0.00 0.00 27.48 28.92 3k1q h GLN 93 CO 0.18 0.14 0.05 -1.00 -1.93 0.00 0.00 178.83 176.26 3k1q h PRO 94 N 0.21 0.12 0.06 -2.39 0.13 -1.89 -0.01 132.00 128.24 3k1q h PRO 94 Ca 0.43 -0.01 -0.11 0.00 -0.87 0.00 0.00 66.00 65.44 3k1q h PRO 94 Cb 0.76 -0.03 0.01 0.00 0.13 0.00 0.00 31.00 31.87 3k1q h PRO 94 CO -0.57 0.09 -0.47 1.25 -0.23 0.00 0.00 178.00 178.08 3k1q h LEU 95 N 0.13 0.31 -0.55 1.56 5.85 -1.34 -1.18 115.31 120.08 3k1q h LEU 95 Ca 0.03 -0.91 0.11 0.00 0.84 0.00 0.00 57.88 57.95 3k1q h LEU 95 Cb 0.01 -0.10 -0.11 0.00 0.37 0.00 0.00 40.66 40.83 3k1q h LEU 95 CO -0.01 1.19 -0.18 -0.26 -0.34 0.00 0.00 178.44 178.85 3k1q h PHE 96 N -0.53 -0.41 -0.67 1.25 -1.00 -0.67 -0.16 116.94 114.75 3k1q h PHE 96 Ca -0.08 0.05 0.09 0.00 2.81 0.00 0.00 57.97 60.84 3k1q h PHE 96 Cb 1.31 0.26 -0.07 0.00 3.61 0.00 0.00 35.95 41.07 3k1q h PHE 96 CO 0.21 -0.27 0.33 1.96 -1.61 0.00 0.00 178.31 178.92 3k1q h GLN 97 N -0.04 0.55 -0.19 1.51 4.20 -0.89 -2.48 115.11 117.77 3k1q h GLN 97 Ca 0.26 -0.03 -0.11 0.00 0.06 0.00 0.00 58.65 58.83 3k1q h GLN 97 Cb 0.44 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 3k1q h GLN 97 CO -0.59 0.36 -0.36 0.00 -0.67 0.00 0.00 178.83 177.58 3k1q h ALA 98 N 1.41 1.03 0.00 3.87 0.00 -0.23 0.25 119.26 125.59 3k1q h ALA 98 Ca 0.33 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3k1q h ALA 98 Cb 0.34 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3k1q h ALA 98 CO -0.26 0.60 0.00 0.25 0.00 0.00 0.00 179.25 179.84 3k1q n THR 99 N -4.06 0.17 -2.79 0.00 -2.24 -0.17 -4.94 114.28 100.27 3k1q n THR 99 Ca -0.01 0.04 -0.12 0.00 -2.27 0.00 0.00 64.05 61.69 3k1q n THR 99 Cb 0.47 -0.70 -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 -1.13 -2.66 -1.86 -0.78 4.01 0.89 -4.89 118.16 111.74 3k1q n LYS 100 Ca 0.13 0.34 -0.38 0.00 -0.51 0.00 0.00 58.31 57.89 3k1q n LYS 100 Cb 0.12 -4.93 0.03 0.00 -0.51 0.00 0.00 35.03 29.74 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 -3.24 3.57 -2.55 -0.18 -2.24 -1.02 -4.75 114.28 103.86 3k1q n THR 101 Ca -0.05 -4.12 -0.20 0.00 -2.27 0.00 0.00 64.05 57.41 3k1q n THR 101 Cb 0.55 -1.27 -0.00 0.00 -2.10 0.00 0.00 70.33 67.50 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 -0.40 -0.50 0.51 3.38 0.00 -1.26 -4.88 105.19 102.03 3k1q n GLY 102 Ca 0.54 0.03 0.37 0.00 0.00 0.00 0.00 46.02 46.95 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 0.33 0.95 -0.47 0.00 0.00 0.00 0.00 46.02 46.84 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 7.29 0.45 -0.19 1.61 -0.04 -1.26 -4.82 135.00 138.05 3k1q n PRO 105 Ca 0.58 0.08 0.11 0.00 -0.04 0.00 0.00 63.50 64.23 3k1q n PRO 105 Cb 0.03 -2.06 0.21 0.00 -0.04 0.00 0.00 33.50 31.64 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 7.28 -0.23 -3.20 0.52 5.41 -1.26 -4.90 119.36 122.98 3k1q n ILE 106 Ca 0.52 1.19 -0.12 0.00 1.00 0.00 0.00 62.75 65.35 3k1q n ILE 106 Cb 0.15 -1.79 0.01 0.00 -0.71 0.00 0.00 39.64 37.29 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 -4.56 -8.36 -0.38 1.39 0.24 -1.26 -4.83 118.33 100.56 3k1q n VAL 107 Ca 0.15 0.15 0.33 0.00 -2.04 0.00 0.00 64.34 62.94 3k1q n VAL 107 Cb 0.51 -5.86 0.60 0.00 -1.47 0.00 0.00 33.84 27.62 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 0.93 0.31 -1.67 1.34 5.85 -1.98 0.78 115.31 120.88 3k1q h LEU 108 Ca -0.19 0.20 0.31 0.00 0.84 0.00 0.00 57.88 59.03 3k1q h LEU 108 Cb 1.13 0.19 -0.07 0.00 0.37 0.00 0.00 40.66 42.28 3k1q h LEU 108 CO 0.28 -0.29 0.76 0.77 -0.34 0.00 0.00 178.44 179.61 3k1q h SER 109 N 0.08 0.22 0.22 1.25 4.64 -1.93 0.22 113.55 118.25 3k1q h SER 109 Ca 0.83 0.05 -0.08 0.00 -0.47 0.00 0.00 61.79 62.12 3k1q h SER 109 Cb 2.35 0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 64.44 3k1q h SER 109 CO -0.60 0.03 -0.30 0.28 -0.87 0.00 0.00 176.83 175.37 3k1q h SER 110 N 0.19 0.14 0.07 4.97 0.02 -1.16 -3.05 113.55 114.73 3k1q h SER 110 Ca 0.58 -0.04 -0.22 0.00 -0.84 0.00 0.00 61.79 61.27 3k1q h SER 110 Cb 1.89 -0.04 0.01 0.00 0.14 0.00 0.00 62.40 64.40 3k1q h SER 110 CO -0.16 0.44 -0.86 -0.26 -1.14 0.00 0.00 176.83 174.85 3k1q h PHE 111 N 0.12 0.86 -0.21 3.45 -1.00 -0.73 -3.39 116.94 116.05 3k1q h PHE 111 Ca 0.02 -0.42 -0.13 0.00 2.81 0.00 0.00 57.97 60.25 3k1q h PHE 111 Cb 0.60 -0.12 -0.01 0.00 3.61 0.00 0.00 35.95 40.04 3k1q h PHE 111 CO 0.01 1.23 0.41 0.25 -1.61 0.00 0.00 178.31 178.60 3k1q n THR 112 N -3.86 0.67 -3.89 -1.55 -2.24 -1.15 -4.58 114.28 97.68 3k1q n THR 112 Ca -0.07 -0.69 -0.27 0.00 -2.27 0.00 0.00 64.05 60.74 3k1q n THR 112 Cb 0.78 -2.06 -0.03 0.00 -2.10 0.00 0.00 70.33 66.92 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 15.06 5.32 0.17 4.28 -4.23 -0.17 -4.79 115.64 131.28 3k1q s THR 113 Ca 0.77 -0.56 -0.31 0.00 -1.18 0.00 0.00 61.69 60.40 3k1q s THR 113 Cb -0.03 -3.72 -0.10 0.00 1.34 0.00 0.00 72.50 69.99 3k1q s THR 113 CO 0.17 -0.06 1.56 0.42 -0.54 0.00 0.00 174.62 176.18 3k1q s THR 114 N -1.71 2.63 -0.11 3.99 -4.23 -1.26 -0.40 115.64 114.55 3k1q s THR 114 Ca 0.35 0.45 0.03 0.00 -1.18 0.00 0.00 61.69 61.35 3k1q s THR 114 Cb -0.11 -3.29 -0.00 0.00 1.34 0.00 0.00 72.50 70.43 3k1q s THR 114 CO 0.28 0.04 -0.22 0.28 -0.54 0.00 0.00 174.62 174.46 3k1q s THR 115 N 1.09 2.23 -0.14 3.99 -1.32 -0.32 -4.74 115.64 116.44 3k1q s THR 115 Ca 0.70 -0.95 -0.03 0.00 -1.21 0.00 0.00 61.69 60.19 3k1q s THR 115 Cb -0.44 -1.87 0.05 0.00 -1.51 0.00 0.00 72.50 68.73 3k1q s THR 115 CO 0.32 0.55 0.06 -0.55 -2.21 0.00 0.00 174.62 172.79 3k1q s SER 116 N 0.40 2.14 0.00 8.08 0.15 -1.26 -1.34 113.70 121.86 3k1q s SER 116 Ca -0.16 -0.46 0.00 0.00 0.70 0.00 0.00 55.95 56.03 3k1q s SER 116 Cb -0.17 -0.32 0.00 0.00 -1.71 0.00 0.00 66.02 63.81 3k1q s SER 116 CO 0.07 -0.30 0.00 0.61 1.20 0.00 0.00 173.24 174.82 3k1q n GLY 117 N 5.22 -0.43 3.81 9.45 0.00 -1.21 -4.82 105.19 117.20 3k1q n GLY 117 Ca -0.07 -0.33 -0.38 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.74 3.73 -0.31 1.61 1.51 0.04 0.11 117.35 122.31 3k1q s TYR 118 Ca 0.00 1.11 -0.04 0.00 -1.01 0.00 0.00 57.07 57.13 3k1q s TYR 118 Cb 0.00 -2.43 0.04 0.00 -0.11 0.00 0.00 41.96 39.46 3k1q s TYR 118 CO 0.00 0.54 0.05 0.08 -1.11 0.00 0.00 175.55 175.11 3k1q s VAL 119 N -0.81 3.42 -0.19 0.71 1.01 0.60 -0.24 120.40 124.89 3k1q s VAL 119 Ca 0.27 -1.18 -0.31 0.00 0.00 0.00 0.00 61.98 60.76 3k1q s VAL 119 Cb -0.18 -2.91 0.15 0.00 0.00 0.00 0.00 36.38 33.43 3k1q s VAL 119 CO 0.16 -0.10 1.13 -0.83 0.00 0.00 0.00 175.10 175.46 3k1q s GLY 120 N 1.35 -0.18 0.17 4.51 0.00 -0.78 -4.27 107.32 108.10 3k1q s GLY 120 Ca -0.03 2.12 -0.19 0.00 0.00 0.00 0.00 44.72 46.62 3k1q s GLY 120 CO 0.01 0.92 1.64 0.00 0.00 0.00 0.00 173.10 175.67 3k1q h ALA 121 N 2.28 0.12 -3.06 3.20 0.00 -1.89 -2.58 119.26 117.31 3k1q h ALA 121 Ca -0.14 0.14 -0.63 0.00 0.00 0.00 0.00 54.91 54.28 3k1q h ALA 121 Cb 1.18 0.44 -0.14 0.00 0.00 0.00 0.00 17.79 19.26 3k1q h ALA 121 CO 0.27 -0.55 -0.73 0.95 0.00 0.00 0.00 179.25 179.20 3k1q s THR 122 N -6.15 3.17 0.19 0.00 -4.23 -1.26 -4.75 115.64 102.60 3k1q s THR 122 Ca -0.14 -1.64 -0.23 0.00 -1.18 0.00 0.00 61.69 58.50 3k1q s THR 122 Cb 0.14 -2.56 0.10 0.00 1.34 0.00 0.00 72.50 71.52 3k1q s THR 122 CO 0.70 -0.09 1.57 0.00 -0.54 0.00 0.00 174.62 176.26 3k1q h ALA 123 N 2.98 -0.15 0.00 3.99 0.00 -1.92 0.21 119.26 124.37 3k1q h ALA 123 Ca -0.47 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3k1q h ALA 123 Cb 1.20 0.94 0.00 0.00 0.00 0.00 0.00 17.79 19.93 3k1q h ALA 123 CO 0.54 -0.75 0.00 0.41 0.00 0.00 0.00 179.25 179.45 3k1q n GLY 124 N -1.42 0.00 0.36 0.00 0.00 -1.26 -0.44 105.19 102.43 3k1q n GLY 124 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -3.06 116.42 117.44 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 -0.29 0.00 -2.04 0.00 0.00 179.24 177.59 3k1q h ALA 126 N 1.49 1.47 -1.00 4.15 0.00 0.48 -2.39 119.26 123.46 3k1q h ALA 126 Ca 0.30 -0.26 0.20 0.00 0.00 0.00 0.00 54.91 55.16 3k1q h ALA 126 Cb -0.12 -0.05 -0.10 0.00 0.00 0.00 0.00 17.79 17.52 3k1q h ALA 126 CO -0.07 0.36 0.61 -0.07 0.00 0.00 0.00 179.25 180.09 3k1q h LEU 127 N 0.00 0.71 -0.76 0.00 3.38 -0.64 -1.75 115.31 116.25 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 -0.37 0.44 0.09 0.00 0.00 178.44 178.87 3k1q h ASP 128 N 0.68 0.00 -3.74 -0.43 5.19 -1.59 -3.44 116.42 113.09 3k1q h ASP 128 Ca 0.58 0.00 -0.67 0.00 -0.62 0.00 0.00 57.03 56.32 3k1q h ASP 128 Cb 1.01 0.00 -0.37 0.00 0.18 0.00 0.00 39.33 40.15 3k1q h ASP 128 CO -0.37 0.37 -0.81 0.21 -3.12 0.00 0.00 179.24 175.53 3k1q s ASN 129 N -6.39 4.22 -0.10 6.45 2.47 -0.66 -5.10 114.94 115.83 3k1q s ASN 129 Ca 0.01 -1.27 0.01 0.00 0.42 0.00 0.00 52.86 52.03 3k1q s ASN 129 Cb 0.10 -1.52 -0.02 0.00 -1.45 0.00 0.00 41.25 38.36 3k1q s ASN 129 CO 0.69 -0.16 -0.14 -2.16 -3.72 0.00 0.00 177.10 171.60 3k1q s PRO 130 N 1.14 3.06 -0.38 0.43 0.04 -1.26 -0.29 135.00 137.75 3k1q s PRO 130 Ca -0.07 -0.70 0.04 0.00 0.04 0.00 0.00 61.00 60.31 3k1q s PRO 130 Cb -0.19 -2.52 0.11 0.00 0.04 0.00 0.00 34.50 31.94 3k1q s PRO 130 CO -0.06 0.35 0.10 0.08 0.04 0.00 0.00 177.00 177.50 3k1q s VAL 131 N -0.01 2.27 0.09 -0.36 1.01 0.31 -4.90 120.40 118.81 3k1q s VAL 131 Ca -0.04 -2.51 -0.30 0.00 0.00 0.00 0.00 61.98 59.13 3k1q s VAL 131 Cb -0.14 -2.66 -0.06 0.00 0.00 0.00 0.00 36.38 33.52 3k1q s VAL 131 CO 0.04 -0.65 1.11 0.42 0.00 0.00 0.00 175.10 176.03 3k1q s THR 132 N 0.68 4.17 -0.98 3.92 -4.23 -1.26 -3.29 115.64 114.66 3k1q s THR 132 Ca 0.12 1.66 -0.13 0.00 -1.18 0.00 0.00 61.69 62.16 3k1q s THR 132 Cb -0.20 -4.06 0.01 0.00 1.34 0.00 0.00 72.50 69.58 3k1q s THR 132 CO -0.07 0.19 0.67 -3.20 -0.54 0.00 0.00 174.62 171.67 3k1q n ASN 133 N 3.35 -5.11 -0.01 3.99 5.15 -1.24 -4.95 115.26 116.44 3k1q n ASN 133 Ca 0.06 -0.96 0.00 0.00 -0.60 0.00 0.00 54.58 53.08 3k1q n ASN 133 Cb 0.47 -2.43 0.00 0.00 -0.53 0.00 0.00 39.78 37.30 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 -1.79 1.88 3.12 8.20 0.00 -0.45 -4.87 105.19 111.29 3k1q n GLY 134 Ca -0.18 -1.76 -0.13 0.00 0.00 0.00 0.00 46.02 43.95 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 4.61 0.01 0.36 1.61 -7.23 -1.26 -1.17 120.40 117.33 3k1q s VAL 135 Ca 0.00 -0.05 0.09 0.00 -1.81 0.00 0.00 61.98 60.20 3k1q s VAL 135 Cb 0.00 -0.34 -0.06 0.00 0.56 0.00 0.00 36.38 36.53 3k1q s VAL 135 CO 0.00 -0.03 -0.03 0.72 -0.31 0.00 0.00 175.10 175.45 3k1q s PHE 136 N -0.01 2.47 0.01 2.82 -0.12 0.46 -0.62 117.98 123.00 3k1q s PHE 136 Ca -0.01 -0.52 0.02 0.00 -0.05 0.00 0.00 56.93 56.36 3k1q s PHE 136 Cb -0.02 -1.52 -0.01 0.00 -0.63 0.00 0.00 43.02 40.84 3k1q s PHE 136 CO 0.01 0.51 -0.06 -1.50 -0.05 0.00 0.00 175.22 174.13 3k1q s ILE 137 N -2.61 0.43 0.08 -4.49 2.07 -1.26 -1.00 121.20 114.42 3k1q s ILE 137 Ca 0.34 -0.40 -0.16 0.00 -1.41 0.00 0.00 60.65 59.02 3k1q s ILE 137 Cb 0.03 -0.40 -0.06 0.00 0.13 0.00 0.00 42.46 42.16 3k1q s ILE 137 CO 0.18 0.01 0.52 -0.55 -1.91 0.00 0.00 174.94 173.18 3k1q s SER 138 N -0.43 6.91 0.22 4.50 0.15 -1.26 -4.42 113.70 119.37 3k1q s SER 138 Ca -0.01 1.11 -0.18 0.00 0.70 0.00 0.00 55.95 57.57 3k1q s SER 138 Cb -0.04 -2.30 0.22 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 3.30 0.04 -0.06 6.45 1.35 -1.90 0.58 112.91 122.67 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 0.04 -0.06 0.00 -1.73 0.00 0.00 68.15 67.61 3k1q h THR 139 CO 0.64 0.00 -0.40 0.58 -0.25 0.00 0.00 175.52 176.09 3k1q h VAL 140 N -0.04 0.17 -0.05 6.82 2.07 -1.93 0.79 116.25 124.09 3k1q h VAL 140 Ca 0.32 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.87 3k1q h VAL 140 Cb 0.59 0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 3k1q h VAL 140 CO -0.92 0.00 -0.10 1.56 0.02 0.00 0.00 177.57 178.13 3k1q h GLN 141 N -0.52 -0.14 -0.92 1.57 4.20 -1.67 -1.71 115.11 115.92 3k1q h GLN 141 Ca 0.06 0.01 0.09 0.00 0.06 0.00 0.00 58.65 58.87 3k1q h GLN 141 Cb 0.63 0.03 -0.06 0.00 0.30 0.00 0.00 27.48 28.37 3k1q h GLN 141 CO -0.34 -0.10 0.59 -0.84 -0.67 0.00 0.00 178.83 177.47 3k1q h ILE 142 N -0.15 1.01 -0.37 2.54 3.07 0.17 0.44 117.51 124.23 3k1q h ILE 142 Ca 0.05 -0.33 0.06 0.00 1.55 0.00 0.00 64.86 66.19 3k1q h ILE 142 Cb 0.22 -0.05 -0.08 0.00 -0.27 0.00 0.00 36.82 36.64 3k1q h ILE 142 CO -0.14 0.18 -0.49 -0.03 -1.05 0.00 0.00 178.15 176.61 3k1q h MET 143 N 0.97 -0.38 -0.30 0.16 4.05 -0.30 0.13 114.93 119.26 3k1q h MET 143 Ca 0.42 0.03 -0.15 0.00 -0.28 0.00 0.00 59.70 59.71 3k1q h MET 143 Cb 0.32 0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 31.20 3k1q h MET 143 CO -0.17 -0.25 -0.42 -0.91 0.23 0.00 0.00 176.91 175.38 3k1q h ASN 144 N -0.39 0.81 0.39 1.39 4.21 -0.32 -1.05 115.58 120.62 3k1q h ASN 144 Ca 0.10 -0.38 -0.00 0.00 1.21 0.00 0.00 56.30 57.22 3k1q h ASN 144 Cb 0.60 -0.23 -0.03 0.00 -1.12 0.00 0.00 38.32 37.55 3k1q h ASN 144 CO -0.56 1.12 -0.43 0.25 -1.29 0.00 0.00 177.43 176.52 3k1q h LEU 145 N 0.61 -1.19 -0.55 1.61 5.85 -0.83 -1.94 115.31 118.86 3k1q h LEU 145 Ca 0.04 0.10 0.11 0.00 0.84 0.00 0.00 57.88 58.98 3k1q h LEU 145 Cb 0.98 0.40 -0.10 0.00 0.37 0.00 0.00 40.66 42.32 3k1q h LEU 145 CO 0.09 -0.58 -0.04 1.56 -0.34 0.00 0.00 178.44 179.14 3k1q h GLN 146 N -0.85 0.08 -0.63 1.25 4.20 -0.45 -1.41 115.11 117.30 3k1q h GLN 146 Ca -0.03 -0.00 0.11 0.00 0.06 0.00 0.00 58.65 58.78 3k1q h GLN 146 Cb 0.77 -0.02 -0.12 0.00 0.30 0.00 0.00 27.48 28.41 3k1q h GLN 146 CO -0.09 0.05 -0.32 -0.09 -0.67 0.00 0.00 178.83 177.72 3k1q h ARG 147 N 0.08 -0.13 0.04 1.46 2.43 -1.03 0.11 114.38 117.35 3k1q h ARG 147 Ca 0.28 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.48 3k1q h ARG 147 Cb 0.43 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.98 3k1q h ARG 147 CO -0.49 -0.08 -0.20 1.79 -1.51 0.00 0.00 179.97 179.47 3k1q h THR 148 N -0.13 0.53 -0.79 0.20 1.35 -0.60 -1.81 112.91 111.66 3k1q h THR 148 Ca 0.25 0.00 0.05 0.00 -0.55 0.00 0.00 66.41 66.16 3k1q h THR 148 Cb 0.55 0.53 -0.05 0.00 -1.73 0.00 0.00 68.15 67.44 3k1q h THR 148 CO -0.70 0.00 0.49 0.40 -0.25 0.00 0.00 175.52 175.45 3k1q h ILE 149 N -0.35 1.06 -0.85 6.82 2.04 -1.00 -0.08 117.51 125.15 3k1q h ILE 149 Ca 0.05 -0.31 -0.02 0.00 1.00 0.00 0.00 64.86 65.58 3k1q h ILE 149 Cb 0.40 0.06 -0.04 0.00 -0.74 0.00 0.00 36.82 36.51 3k1q h ILE 149 CO -0.16 0.17 0.47 0.00 0.00 0.00 0.00 178.15 178.62 3k1q h ALA 150 N 1.36 1.22 -0.49 1.87 0.00 -0.85 -1.46 119.26 120.91 3k1q h ALA 150 Ca 0.33 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.99 3k1q h ALA 150 Cb 0.10 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3k1q h ALA 150 CO -0.15 0.63 -0.20 0.00 0.00 0.00 0.00 179.25 179.53 3k1q h ALA 151 N 1.32 0.71 -0.01 0.00 0.00 -0.59 0.29 119.26 120.99 3k1q h ALA 151 Ca 0.30 -0.39 0.01 0.00 0.00 0.00 0.00 54.91 54.83 3k1q h ALA 151 Cb 0.03 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3k1q h ALA 151 CO -0.05 0.67 -0.02 0.00 0.00 0.00 0.00 179.25 179.85 3k1q h ARG 152 N 0.86 -0.04 -0.19 0.00 3.08 -0.50 0.67 114.38 118.26 3k1q h ARG 152 Ca 0.11 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.19 3k1q h ARG 152 Cb 0.78 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.81 3k1q h ARG 152 CO 0.06 -0.03 0.04 0.52 -1.07 0.00 0.00 179.97 179.50 3k1q h MET 153 N -0.04 0.11 0.00 0.04 2.86 -0.46 -1.76 114.93 115.68 3k1q h MET 153 Ca 0.01 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 3k1q h MET 153 Cb 0.06 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.69 3k1q h MET 153 CO -0.03 0.08 0.00 0.00 1.06 0.00 0.00 176.91 178.01 3k1q h ARG 154 N 0.12 0.00 0.00 1.72 3.08 -0.17 -2.17 114.38 116.95 3k1q h ARG 154 Ca 0.09 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 60.01 3k1q h ARG 154 Cb 0.08 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 3k1q h ARG 154 CO -0.11 0.00 -0.59 0.22 -1.07 0.00 0.00 179.97 178.42 3k1q h ASP 155 N 0.00 0.00 0.74 7.04 3.58 -0.05 -3.23 116.42 124.51 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 0.33 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.38 3k1q h ASP 155 CO 0.00 0.59 -0.56 0.55 -2.88 0.00 0.00 179.24 176.94 3k1q n VAL 156 N -3.38 0.22 0.08 2.25 3.14 -0.76 -4.41 118.33 115.46 3k1q n VAL 156 Ca 0.01 -0.17 0.19 0.00 -2.96 0.00 0.00 64.34 61.41 3k1q n VAL 156 Cb 0.71 -0.02 0.74 0.00 -1.06 0.00 0.00 33.84 34.21 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 2.69 2.22 0.08 1.55 0.00 -1.43 0.87 119.26 125.24 3k1q h ALA 157 Ca 0.00 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.63 3k1q h ALA 157 Cb 0.65 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.48 3k1q h ALA 157 CO 0.00 -0.55 -1.12 -0.07 0.00 0.00 0.00 179.25 177.51 3k1q h LEU 158 N 0.00 0.59 -0.01 0.00 3.38 -1.82 -3.17 115.31 114.29 3k1q h LEU 158 Ca 0.19 -0.54 -0.00 0.00 0.09 0.00 0.00 57.88 57.62 3k1q h LEU 158 Cb 0.87 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.44 3k1q h LEU 158 CO -0.00 1.37 -0.00 -0.50 0.09 0.00 0.00 178.44 179.40 3k1q h TRP 159 N 0.19 0.02 -0.43 1.13 4.06 0.35 -1.79 115.95 119.48 3k1q h TRP 159 Ca -0.13 -0.00 0.09 0.00 2.06 0.00 0.00 58.89 60.91 3k1q h TRP 159 Cb 1.79 -0.00 -0.09 0.00 -1.00 0.00 0.00 29.16 29.86 3k1q h TRP 159 CO 0.08 0.44 -0.26 1.96 -3.56 0.00 0.00 178.44 177.10 3k1q h GLN 160 N -0.42 -0.18 -0.06 0.49 4.20 -0.88 0.21 115.11 118.48 3k1q h GLN 160 Ca 0.00 0.01 0.04 0.00 0.06 0.00 0.00 58.65 58.76 3k1q h GLN 160 Cb 0.44 0.04 -0.05 0.00 0.30 0.00 0.00 27.48 28.21 3k1q h GLN 160 CO 0.00 -0.12 -0.25 -0.22 -0.67 0.00 0.00 178.83 177.57 3k1q h LYS 161 N -0.18 -0.35 -0.36 1.46 3.11 -1.48 -0.63 116.57 118.14 3k1q h LYS 161 Ca 0.20 0.02 0.04 0.00 -2.81 0.00 0.00 60.65 58.10 3k1q h LYS 161 Cb 0.50 0.08 -0.04 0.00 -1.00 0.00 0.00 32.23 31.77 3k1q h LYS 161 CO -0.54 -0.23 0.15 0.45 -2.81 0.00 0.00 179.45 176.47 3k1q h HIS 162 N -0.36 0.26 -0.49 1.91 3.86 -0.19 -0.46 115.15 119.68 3k1q h HIS 162 Ca 0.08 0.02 0.09 0.00 -1.16 0.00 0.00 60.37 59.40 3k1q h HIS 162 Cb 0.47 -0.07 -0.07 0.00 1.06 0.00 0.00 27.41 28.80 3k1q h HIS 162 CO -0.32 0.12 0.05 1.25 0.86 0.00 0.00 177.93 179.89 3k1q h LEU 163 N 0.31 -0.11 -0.92 2.43 5.85 0.15 -2.02 115.31 120.99 3k1q h LEU 163 Ca 0.16 0.10 0.18 0.00 0.84 0.00 0.00 57.88 59.16 3k1q h LEU 163 Cb 0.11 0.17 -0.10 0.00 0.37 0.00 0.00 40.66 41.21 3k1q h LEU 163 CO -0.15 -0.03 0.51 0.44 -0.34 0.00 0.00 178.44 178.88 3k1q h ASP 164 N 0.17 0.61 -0.34 1.25 3.32 -0.82 -2.66 116.42 117.95 3k1q h ASP 164 Ca 0.25 0.10 -0.02 0.00 0.02 0.00 0.00 57.03 57.38 3k1q h ASP 164 Cb 0.35 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.89 3k1q h ASP 164 CO -0.37 0.21 0.15 0.71 -1.72 0.00 0.00 179.24 178.22 3k1q h THR 165 N 0.65 1.18 -0.22 0.35 1.35 -0.33 0.45 112.91 116.34 3k1q h THR 165 Ca 0.53 -0.52 0.06 0.00 -0.55 0.00 0.00 66.41 65.92 3k1q h THR 165 Cb 0.82 0.89 -0.07 0.00 -1.73 0.00 0.00 68.15 68.07 3k1q h THR 165 CO -0.40 0.19 -0.32 0.00 -0.25 0.00 0.00 175.52 174.74 3k1q h ALA 166 N 0.99 -0.30 0.00 6.62 0.00 -1.34 0.37 119.26 125.60 3k1q h ALA 166 Ca 0.11 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 3k1q h ALA 166 Cb 0.16 0.63 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 3k1q h ALA 166 CO -0.01 -0.77 -0.01 0.52 0.00 0.00 0.00 179.25 178.99 3k1q h MET 167 N -0.34 0.00 0.00 0.00 2.07 -1.10 -2.92 114.93 112.64 3k1q h MET 167 Ca 0.12 0.00 -0.34 0.00 -2.07 0.00 0.00 59.70 57.41 3k1q h MET 167 Cb 0.53 0.00 -0.06 0.00 -1.87 0.00 0.00 31.60 30.20 3k1q h MET 167 CO -0.41 0.01 -2.28 0.25 1.07 0.00 0.00 176.91 175.55 3k1q n THR 168 N -3.15 1.28 0.31 2.22 -2.24 0.10 -3.54 114.28 109.27 3k1q n THR 168 Ca -0.02 -0.78 0.14 0.00 -2.27 0.00 0.00 64.05 61.12 3k1q n THR 168 Cb 0.14 -0.54 0.74 0.00 -2.10 0.00 0.00 70.33 68.57 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 -1.10 -0.78 -1.53 -0.08 -0.41 114.93 111.04 3k1q h MET 169 Ca -0.51 0.00 -0.37 0.00 -3.44 0.00 0.00 59.70 55.38 3k1q h MET 169 Cb 2.14 0.00 -0.26 0.00 -0.55 0.00 0.00 31.60 32.93 3k1q h MET 169 CO 0.02 0.00 -0.76 1.28 0.14 0.00 0.00 176.91 177.59 3k1q n LEU 170 N -2.77 -1.62 -4.39 3.39 4.77 -1.22 -5.09 117.00 110.07 3k1q n LEU 170 Ca -0.02 -3.87 -0.50 0.00 -0.03 0.00 0.00 56.01 51.60 3k1q n LEU 170 Cb 0.38 0.73 -0.13 0.00 -2.33 0.00 0.00 43.42 42.07 3k1q n LEU 170 CO 0.12 2.00 1.98 1.07 -1.33 0.00 0.00 177.39 181.23 3k1q n THR 171 N 1.86 0.01 -0.22 -5.08 5.66 -0.16 -4.88 114.28 111.47 3k1q n THR 171 Ca 0.17 -0.05 0.00 0.00 -3.05 0.00 0.00 64.05 61.11 3k1q n THR 171 Cb 0.57 -0.68 0.00 0.00 -1.55 0.00 0.00 70.33 68.66 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 8.08 0.52 -3.93 1.09 -0.04 -1.24 -4.84 135.00 134.63 3k1q n PRO 172 Ca 0.58 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.72 3k1q n PRO 172 Cb 0.04 -1.24 -0.14 0.00 -0.04 0.00 0.00 33.50 32.12 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 1.94 4.89 -0.41 3.54 1.11 -1.26 -4.66 116.67 121.83 3k1q s ASP 173 Ca 0.00 -2.21 -0.00 0.00 0.18 0.00 0.00 52.55 50.51 3k1q s ASP 173 Cb 0.00 -1.70 0.11 0.00 1.07 0.00 0.00 42.92 42.41 3k1q s ASP 173 CO 0.00 -0.42 0.18 -0.63 1.18 0.00 0.00 175.17 175.48 3k1q s ILE 174 N 0.85 2.97 0.43 0.77 -1.09 -1.26 -4.93 121.20 118.93 3k1q s ILE 174 Ca 0.11 -2.28 0.40 0.00 -2.23 0.00 0.00 60.65 56.64 3k1q s ILE 174 Cb -0.21 -3.07 0.41 0.00 -1.58 0.00 0.00 42.46 38.01 3k1q s ILE 174 CO -0.06 -0.68 2.20 0.77 -1.23 0.00 0.00 174.94 175.94 3k1q h SER 175 N 7.76 0.00 -2.37 3.58 4.64 -1.92 -2.06 113.55 123.17 3k1q h SER 175 Ca -0.09 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.90 3k1q h SER 175 Cb 1.02 0.00 -0.35 0.00 -0.31 0.00 0.00 62.40 62.77 3k1q h SER 175 CO 0.64 0.00 -0.63 0.00 -0.87 0.00 0.00 176.83 175.97 3k1q s ALA 176 N -3.97 -0.32 0.00 5.18 0.00 -1.26 -4.72 121.76 116.68 3k1q s ALA 176 Ca -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 51.96 51.90 3k1q s ALA 176 Cb 0.11 -1.53 0.00 0.00 0.00 0.00 0.00 23.12 21.71 3k1q s ALA 176 CO 0.41 -1.43 0.00 0.41 0.00 0.00 0.00 175.76 175.15 3k1q n GLY 177 N 5.31 1.60 3.64 0.00 0.00 -1.26 -4.82 105.19 109.65 3k1q n GLY 177 Ca -0.04 -0.73 -0.09 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 -0.72 0.12 1.61 1.04 -1.26 0.43 113.70 110.91 3k1q s SER 178 Ca 0.00 1.26 0.09 0.00 0.48 0.00 0.00 55.95 57.78 3k1q s SER 178 Cb 0.00 1.29 -0.04 0.00 0.10 0.00 0.00 66.02 67.37 3k1q s SER 178 CO 0.00 -0.21 -0.22 0.00 0.98 0.00 0.00 173.24 173.79 3k1q s ALA 179 N 0.95 1.98 -0.12 5.32 0.00 -0.17 -5.02 121.76 124.70 3k1q s ALA 179 Ca -0.04 -1.34 -0.11 0.00 0.00 0.00 0.00 51.96 50.47 3k1q s ALA 179 Cb -0.05 -0.27 0.04 0.00 0.00 0.00 0.00 23.12 22.84 3k1q s ALA 179 CO -0.10 0.39 0.33 0.45 0.00 0.00 0.00 175.76 176.82 3k1q s SER 180 N -2.05 -0.35 0.09 0.00 0.15 -1.26 -3.27 113.70 107.01 3k1q s SER 180 Ca 0.10 0.66 -0.22 0.00 0.70 0.00 0.00 55.95 57.19 3k1q s SER 180 Cb -0.09 0.65 0.06 0.00 -1.71 0.00 0.00 66.02 64.92 3k1q s SER 180 CO 0.05 -0.12 0.53 0.00 1.20 0.00 0.00 173.24 174.90 3k1q n ASN 182 N 0.10 2.24 -0.11 0.00 5.15 -1.26 -4.07 115.26 117.32 3k1q n ASN 182 Ca -0.18 0.34 -0.00 0.00 -0.60 0.00 0.00 54.58 54.14 3k1q n ASN 182 Cb 0.62 -1.31 0.26 0.00 -0.53 0.00 0.00 39.78 38.82 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 13.04 0.77 -0.14 1.20 -0.00 -1.90 -1.93 115.95 126.99 3k1q h TRP 183 Ca -0.28 -0.03 0.05 0.00 -0.00 0.00 0.00 58.89 58.62 3k1q h TRP 183 Cb 1.31 -0.24 -0.06 0.00 -0.00 0.00 0.00 29.16 30.17 3k1q h TRP 183 CO 0.96 0.59 -0.25 0.87 -0.00 0.00 0.00 178.44 180.61 3k1q h LYS 184 N 0.77 -0.30 -0.53 2.65 1.57 -1.81 0.84 116.57 119.76 3k1q h LYS 184 Ca 0.19 0.02 0.11 0.00 -1.87 0.00 0.00 60.65 59.10 3k1q h LYS 184 Cb 0.13 0.07 -0.11 0.00 0.08 0.00 0.00 32.23 32.40 3k1q h LYS 184 CO -0.02 -0.20 -0.19 0.77 -0.57 0.00 0.00 179.45 179.25 3k1q h SER 185 N -0.31 -0.66 0.80 0.86 0.02 -0.41 0.96 113.55 114.82 3k1q h SER 185 Ca 0.10 0.18 -0.04 0.00 -0.84 0.00 0.00 61.79 61.19 3k1q h SER 185 Cb 0.46 0.39 0.00 0.00 0.14 0.00 0.00 62.40 63.40 3k1q h SER 185 CO -0.32 -0.22 -0.43 -0.07 -1.14 0.00 0.00 176.83 174.65 3k1q h LEU 186 N -0.06 -1.05 -0.81 5.07 3.38 -0.44 -1.39 115.31 120.01 3k1q h LEU 186 Ca 0.25 0.05 0.17 0.00 0.09 0.00 0.00 57.88 58.44 3k1q h LEU 186 Cb 0.45 0.29 -0.11 0.00 0.09 0.00 0.00 40.66 41.38 3k1q h LEU 186 CO -0.58 -0.70 0.32 -0.07 0.09 0.00 0.00 178.44 177.50 3k1q h LEU 187 N -1.13 0.26 -0.22 1.67 3.38 0.75 0.11 115.31 120.13 3k1q h LEU 187 Ca -0.11 0.13 -0.22 0.00 0.09 0.00 0.00 57.88 57.78 3k1q h LEU 187 Cb 0.89 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.76 3k1q h LEU 187 CO 0.15 0.05 -0.88 0.00 0.09 0.00 0.00 178.44 177.85 3k1q h ALA 188 N 1.62 0.40 -0.52 1.53 0.00 -0.47 -0.72 119.26 121.09 3k1q h ALA 188 Ca 0.47 -0.67 -0.10 0.00 0.00 0.00 0.00 54.91 54.61 3k1q h ALA 188 Cb 0.79 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 3k1q h ALA 188 CO -0.47 0.78 -0.05 0.35 0.00 0.00 0.00 179.25 179.86 3k1q h PHE 189 N 0.29 1.02 -0.45 0.00 -0.00 -0.33 -2.28 116.94 115.20 3k1q h PHE 189 Ca -0.07 -0.18 0.08 0.00 -0.00 0.00 0.00 57.97 57.81 3k1q h PHE 189 Cb 1.50 -0.26 -0.10 0.00 -0.00 0.00 0.00 35.95 37.09 3k1q h PHE 189 CO 0.06 0.94 -0.34 0.00 -0.00 0.00 0.00 178.31 178.98 3k1q h ALA 190 N 1.08 -0.17 0.00 2.41 0.00 -0.47 0.16 119.26 122.28 3k1q h ALA 190 Ca 0.15 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3k1q h ALA 190 Cb 0.57 0.74 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3k1q h ALA 190 CO 0.03 -0.73 0.00 1.63 0.00 0.00 0.00 179.25 180.19 3k1q n LYS 191 N -5.42 0.02 0.06 0.00 5.02 -0.31 0.13 118.16 117.66 3k1q n LYS 191 Ca 0.02 0.12 0.04 0.00 -2.02 0.00 0.00 58.31 56.47 3k1q n LYS 191 Cb 0.34 -1.53 -0.05 0.00 -0.02 0.00 0.00 35.03 33.78 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 -1.06 -3.37 116.42 119.95 3k1q h ASP 192 Ca 0.00 0.00 -0.31 0.00 0.42 0.00 0.00 57.03 57.14 3k1q h ASP 192 Cb 0.42 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.42 3k1q h ASP 192 CO 0.00 0.35 -2.10 -0.38 -2.88 0.00 0.00 179.24 174.23 3k1q n ILE 193 N -2.82 1.09 -1.69 2.25 2.08 0.54 -5.06 119.36 115.75 3k1q n ILE 193 Ca -0.06 -0.35 -0.41 0.00 0.56 0.00 0.00 62.75 62.50 3k1q n ILE 193 Cb 0.72 -1.48 0.02 0.00 -0.75 0.00 0.00 39.64 38.15 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 -3.49 3.94 -4.71 1.39 4.77 0.34 -4.83 117.00 114.41 3k1q n LEU 194 Ca -0.37 1.07 -0.42 0.00 -0.03 0.00 0.00 56.01 56.26 3k1q n LEU 194 Cb 0.82 -1.48 -0.03 0.00 -2.33 0.00 0.00 43.42 40.40 3k1q n LEU 194 CO 0.10 -0.83 1.22 -2.84 -1.33 0.00 0.00 177.39 173.72 3k1q s PRO 195 N -2.27 4.22 0.30 3.23 0.02 -1.26 -4.89 135.00 134.35 3k1q s PRO 195 Ca 0.63 2.33 0.06 0.00 0.02 0.00 0.00 61.00 64.04 3k1q s PRO 195 Cb -0.50 -3.22 0.80 0.00 0.02 0.00 0.00 34.50 31.60 3k1q s PRO 195 CO 0.56 -0.60 1.69 -0.07 -0.33 0.00 0.00 177.00 178.25 3k1q h LEU 196 N 7.01 0.38 -0.87 -5.54 3.38 -1.96 -1.70 115.31 116.01 3k1q h LEU 196 Ca -0.43 0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.70 3k1q h LEU 196 Cb 1.20 0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.08 3k1q h LEU 196 CO 0.91 -0.01 0.00 0.47 0.09 0.00 0.00 178.44 179.90 3k1q n ASP 197 N -5.04 0.40 -4.77 -0.43 8.00 -1.26 -4.77 116.55 108.69 3k1q n ASP 197 Ca 0.24 0.67 -0.40 0.00 0.71 0.00 0.00 54.79 56.00 3k1q n ASP 197 Cb 0.71 -0.73 0.01 0.00 -0.02 0.00 0.00 41.12 41.09 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 -3.75 6.15 0.55 -2.24 -0.87 -0.64 -4.94 114.94 109.20 3k1q s ASN 198 Ca -0.00 3.00 0.25 0.00 -1.57 0.00 0.00 52.86 54.54 3k1q s ASN 198 Cb 0.05 -2.66 1.56 0.00 -0.02 0.00 0.00 41.25 40.18 3k1q s ASN 198 CO 0.19 -1.00 2.17 -0.07 -2.57 0.00 0.00 177.10 175.81 3k1q h LEU 199 N 2.71 0.00 -1.40 0.60 3.38 -1.89 -1.36 115.31 117.36 3k1q h LEU 199 Ca -0.51 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.50 3k1q h LEU 199 Cb 1.25 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.96 3k1q h LEU 199 CO 0.63 0.05 0.44 0.00 0.09 0.00 0.00 178.44 179.64 3k1q h LEU 201 N 0.79 0.00 0.03 0.00 4.07 -1.54 -2.09 115.31 116.56 3k1q h LEU 201 Ca 0.26 0.00 -0.22 0.00 0.08 0.00 0.00 57.88 58.00 3k1q h LEU 201 Cb 0.07 0.00 0.02 0.00 1.08 0.00 0.00 40.66 41.83 3k1q h LEU 201 CO -0.07 0.29 -0.88 0.71 -1.08 0.00 0.00 178.44 177.40 3k1q h THR 202 N 0.00 1.36 -1.25 0.22 1.35 -1.55 -3.38 112.91 109.66 3k1q h THR 202 Ca -0.00 -2.23 -0.64 0.00 -0.55 0.00 0.00 66.41 62.98 3k1q h THR 202 Cb 1.12 2.58 -0.36 0.00 -1.73 0.00 0.00 68.15 69.77 3k1q h THR 202 CO 0.04 0.67 0.06 -1.22 -0.25 0.00 0.00 175.52 174.81 3k1q n TYR 203 N -4.01 3.08 -0.08 4.73 0.53 0.26 -4.93 117.16 116.74 3k1q n TYR 203 Ca -0.11 -2.67 -0.07 0.00 -1.02 0.00 0.00 57.90 54.03 3k1q n TYR 203 Cb 0.81 -0.77 -0.00 0.00 -1.03 0.00 0.00 39.34 38.35 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 2.39 -0.17 -0.16 -0.72 0.11 -1.57 -1.81 132.00 130.07 3k1q h PRO 204 Ca 0.46 0.01 0.05 0.00 0.11 0.00 0.00 66.00 66.63 3k1q h PRO 204 Cb 0.89 0.04 -0.06 0.00 0.11 0.00 0.00 31.00 31.97 3k1q h PRO 204 CO 1.15 -0.11 -0.26 -0.97 -0.21 0.00 0.00 178.00 177.60 3k1q h ASN 205 N -0.17 -0.82 0.04 -2.05 -1.24 -1.91 -0.77 115.58 108.65 3k1q h ASN 205 Ca 0.16 0.13 -0.00 0.00 0.71 0.00 0.00 56.30 57.30 3k1q h ASN 205 Cb 0.43 0.36 0.00 0.00 0.73 0.00 0.00 38.32 39.84 3k1q h ASN 205 CO -0.42 -0.31 -0.02 -0.33 -1.29 0.00 0.00 177.43 175.06 3k1q h GLU 206 N -0.31 -0.05 -0.59 6.67 4.39 -1.81 -2.29 114.58 120.57 3k1q h GLU 206 Ca 0.11 0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.84 3k1q h GLU 206 Cb 0.48 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.10 3k1q h GLU 206 CO -0.34 -0.02 0.35 0.74 -1.16 0.00 0.00 179.01 178.59 3k1q h PHE 207 N -0.08 0.66 -0.22 4.33 -1.00 -0.40 0.43 116.94 120.67 3k1q h PHE 207 Ca -0.01 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.80 3k1q h PHE 207 Cb 0.06 -0.21 -0.01 0.00 3.61 0.00 0.00 35.95 39.40 3k1q h PHE 207 CO -0.07 0.37 0.14 -0.92 -1.61 0.00 0.00 178.31 176.22 3k1q h TYR 208 N 0.70 0.26 -0.26 -0.55 3.20 -1.22 0.53 116.97 119.63 3k1q h TYR 208 Ca 0.24 0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.18 3k1q h TYR 208 Cb 0.04 -0.09 -0.07 0.00 1.54 0.00 0.00 36.73 38.15 3k1q h TYR 208 CO -0.06 0.16 -0.23 -0.97 -1.64 0.00 0.00 178.16 175.42 3k1q h ASN 209 N 0.28 -0.74 0.39 -2.11 -1.24 -0.39 0.51 115.58 112.29 3k1q h ASN 209 Ca 0.08 0.14 -0.01 0.00 0.71 0.00 0.00 56.30 57.22 3k1q h ASN 209 Cb -0.02 0.36 -0.01 0.00 0.73 0.00 0.00 38.32 39.37 3k1q h ASN 209 CO -0.03 -0.27 -0.30 0.58 -1.29 0.00 0.00 177.43 176.13 3k1q h VAL 210 N -0.23 0.37 -0.84 2.57 2.07 -0.86 -0.01 116.25 119.32 3k1q h VAL 210 Ca 0.14 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.82 3k1q h VAL 210 Cb 0.45 0.37 -0.16 0.00 -1.52 0.00 0.00 31.29 30.43 3k1q h VAL 210 CO -0.39 0.00 -0.25 0.00 0.02 0.00 0.00 177.57 176.96 3k1q h ALA 211 N -0.19 0.46 -0.67 1.67 0.00 0.66 -0.08 119.26 121.12 3k1q h ALA 211 Ca -0.03 0.31 0.05 0.00 0.00 0.00 0.00 54.91 55.23 3k1q h ALA 211 Cb 0.60 0.70 -0.04 0.00 0.00 0.00 0.00 17.79 19.05 3k1q h ALA 211 CO -0.00 -0.45 0.44 0.82 0.00 0.00 0.00 179.25 180.06 3k1q h ILE 212 N -0.02 1.05 0.00 0.00 5.03 0.38 0.46 117.51 124.41 3k1q h ILE 212 Ca 0.39 -0.25 -0.05 0.00 -0.12 0.00 0.00 64.86 64.82 3k1q h ILE 212 Cb 0.61 0.25 -0.01 0.00 -3.03 0.00 0.00 36.82 34.64 3k1q h ILE 212 CO -0.87 0.13 -0.26 0.45 -0.68 0.00 0.00 178.15 176.92 3k1q h HIS 213 N 0.74 0.00 0.05 1.37 3.86 0.72 -3.04 115.15 118.85 3k1q h HIS 213 Ca 0.28 0.00 -0.37 0.00 -1.16 0.00 0.00 60.37 59.12 3k1q h HIS 213 Cb 0.18 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.60 3k1q h HIS 213 CO -0.00 0.26 -2.23 -2.13 0.86 0.00 0.00 177.93 174.69 3k1q n ARG 214 N -3.34 0.70 -3.48 2.45 0.63 0.16 -4.57 116.66 109.21 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 0.49 -1.61 -0.05 0.00 0.45 0.00 0.00 32.46 31.74 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 3.62 0.58 -0.14 1.51 0.14 -4.64 117.35 115.88 3k1q s TYR 215 Ca -0.27 -2.26 0.28 0.00 -1.01 0.00 0.00 57.07 53.81 3k1q s TYR 215 Cb 0.08 -3.58 1.56 0.00 -0.11 0.00 0.00 41.96 39.90 3k1q s TYR 215 CO 0.70 -0.93 2.03 -1.35 -1.11 0.00 0.00 175.55 174.88 3k1q h PRO 216 N 7.51 0.00 0.00 -1.71 0.11 -1.84 -0.80 132.00 135.26 3k1q h PRO 216 Ca 0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.16 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 0.15 0.00 -0.21 0.00 0.00 178.00 178.68 3k1q n ALA 217 N -2.38 0.71 -2.61 -0.75 0.00 -1.26 -4.69 120.51 109.53 3k1q n ALA 217 Ca 0.05 0.02 -0.22 0.00 0.00 0.00 0.00 53.44 53.28 3k1q n ALA 217 Cb 0.46 -0.74 -0.15 0.00 0.00 0.00 0.00 19.45 19.02 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 -2.87 2.01 0.06 0.00 1.43 -0.31 -2.29 118.68 116.71 3k1q s LEU 218 Ca -0.00 -0.25 0.07 0.00 -1.03 0.00 0.00 54.13 52.92 3k1q s LEU 218 Cb 0.00 -0.72 -0.04 0.00 0.03 0.00 0.00 46.19 45.47 3k1q s LEU 218 CO 0.02 0.16 -0.16 -0.54 0.23 0.00 0.00 176.35 176.06 3k1q s LYS 219 N -0.28 2.06 0.36 1.70 3.01 -1.12 -4.81 119.74 120.65 3k1q s LYS 219 Ca 0.04 -1.01 -0.28 0.00 -1.01 0.00 0.00 55.97 53.71 3k1q s LYS 219 Cb -0.06 -2.22 -0.12 0.00 -1.01 0.00 0.00 37.83 34.42 3k1q s LYS 219 CO -0.00 0.53 1.41 -0.35 0.51 0.00 0.00 175.35 177.44 3k1q n PRO 220 N 1.24 2.44 0.00 -1.68 -0.04 -1.26 -4.25 135.00 131.45 3k1q n PRO 220 Ca -0.15 0.86 0.00 0.00 -0.04 0.00 0.00 63.50 64.16 3k1q n PRO 220 Cb 0.52 -2.52 0.00 0.00 -0.04 0.00 0.00 33.50 31.46 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 0.69 0.00 0.38 0.55 0.00 -1.26 -3.64 105.19 101.91 3k1q n GLY 221 Ca 0.03 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.12 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 1.68 -0.24 1.61 6.94 -1.25 -0.76 115.26 123.24 3k1q n ASN 222 Ca 0.00 -3.00 0.05 0.00 -0.02 0.00 0.00 54.58 51.61 3k1q n ASN 222 Cb 0.00 -0.40 0.17 0.00 -2.36 0.00 0.00 39.78 37.18 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 0.31 0.21 -3.72 -0.53 0.13 -1.87 -1.28 132.00 125.26 3k1q h PRO 223 Ca -0.02 -0.01 -0.60 0.00 -0.87 0.00 0.00 66.00 64.50 3k1q h PRO 223 Cb 1.14 -0.05 -0.40 0.00 0.13 0.00 0.00 31.00 31.83 3k1q h PRO 223 CO 0.01 0.14 -0.75 -0.51 -0.23 0.00 0.00 178.00 176.66 3k1q s ASP 224 N -5.23 4.14 0.64 1.44 1.01 -1.26 -5.05 116.67 112.37 3k1q s ASP 224 Ca -0.13 -1.88 0.25 0.00 0.71 0.00 0.00 52.55 51.50 3k1q s ASP 224 Cb 0.21 -1.05 1.27 0.00 1.01 0.00 0.00 42.92 44.37 3k1q s ASP 224 CO 0.75 -0.39 1.72 0.74 0.21 0.00 0.00 175.17 178.20 3k1q h THR 225 N 6.35 0.10 -0.98 -1.27 2.02 -1.50 0.12 112.91 117.75 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 1.00 0.50 -0.12 0.00 -1.74 0.00 0.00 68.15 67.79 3k1q h THR 225 CO 0.48 0.00 -0.56 0.11 0.37 0.00 0.00 175.52 175.92 3k1q h LYS 226 N 0.00 -0.02 -2.65 6.66 1.57 -1.94 -3.37 116.57 116.82 3k1q h LYS 226 Ca 0.09 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.28 3k1q h LYS 226 Cb 1.19 0.00 -0.39 0.00 0.08 0.00 0.00 32.23 33.11 3k1q h LYS 226 CO -0.00 -0.01 -0.84 -0.51 -0.57 0.00 0.00 179.45 177.52 3k1q s LEU 227 N -10.55 1.86 0.10 2.94 1.43 0.31 -4.93 118.68 109.85 3k1q s LEU 227 Ca -0.12 -2.72 0.16 0.00 -1.03 0.00 0.00 54.13 50.41 3k1q s LEU 227 Cb 0.12 -0.67 -0.10 0.00 0.03 0.00 0.00 46.19 45.57 3k1q s LEU 227 CO 0.63 -0.23 0.94 1.55 0.23 0.00 0.00 176.35 179.47 3k1q h PRO 228 N 6.36 0.00 -5.93 1.29 0.13 -1.45 -3.36 132.00 129.04 3k1q h PRO 228 Ca 0.12 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.62 3k1q h PRO 228 Cb 0.92 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.99 3k1q h PRO 228 CO 0.39 0.34 -0.52 -0.51 -0.23 0.00 0.00 178.00 177.47 3k1q s ASP 229 N -5.92 6.16 0.12 1.44 1.01 -1.26 -4.05 116.67 114.18 3k1q s ASP 229 Ca -0.02 0.23 -0.08 0.00 0.71 0.00 0.00 52.55 53.40 3k1q s ASP 229 Cb 0.08 -1.86 -0.01 0.00 1.01 0.00 0.00 42.92 42.14 3k1q s ASP 229 CO 0.80 0.21 0.20 0.00 0.21 0.00 0.00 175.17 176.59 3k1q s ALA 230 N -1.41 0.01 -0.09 5.23 0.00 -1.26 -5.07 121.76 119.17 3k1q s ALA 230 Ca 0.31 -0.84 0.18 0.00 0.00 0.00 0.00 51.96 51.61 3k1q s ALA 230 Cb -0.13 0.67 -0.27 0.00 0.00 0.00 0.00 23.12 23.39 3k1q s ALA 230 CO 0.23 -0.56 0.26 1.04 0.00 0.00 0.00 175.76 176.74 3k1q n GLN 231 N -0.12 0.79 -3.44 0.00 1.13 -1.26 -4.96 117.38 109.52 3k1q n GLN 231 Ca -0.11 -0.10 -0.38 0.00 -1.94 0.00 0.00 57.00 54.47 3k1q n GLN 231 Cb 0.63 -1.46 -0.08 0.00 0.11 0.00 0.00 30.24 29.43 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 -2.94 3.57 0.00 -1.58 0.00 -1.26 -5.07 121.76 114.47 3k1q s ALA 232 Ca -0.08 -0.65 0.00 0.00 0.00 0.00 0.00 51.96 51.23 3k1q s ALA 232 Cb 0.09 -2.58 0.00 0.00 0.00 0.00 0.00 23.12 20.63 3k1q s ALA 232 CO 0.78 -0.34 0.00 0.72 0.00 0.00 0.00 175.76 176.92 3k1q n HIS 233 N 4.58 0.00 -0.05 0.00 8.25 -1.26 -5.15 115.22 121.59 3k1q n HIS 233 Ca -0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.36 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 3.64 -0.03 -0.41 -0.02 -1.26 -4.99 135.00 131.93 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 0.17 0.00 2.45 5.85 -2.01 -3.42 115.31 118.35 3k1q h LEU 235 Ca 0.00 -0.51 0.00 0.00 0.84 0.00 0.00 57.88 58.21 3k1q h LEU 235 Cb 0.00 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 40.98 3k1q h LEU 235 CO 0.00 0.65 0.00 0.61 -0.34 0.00 0.00 178.44 179.36 3k1q n GLY 236 N 0.29 0.00 0.00 3.75 0.00 -1.26 -2.72 105.19 105.25 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 -1.08 120.64 124.57 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 -0.74 2.62 3.04 -1.88 -0.74 116.25 118.55 3k1q h VAL 238 Ca 0.00 0.00 0.21 0.00 -1.01 0.00 0.00 66.70 65.90 3k1q h VAL 238 Cb 0.00 0.00 -0.03 0.00 -2.01 0.00 0.00 31.29 29.25 3k1q h VAL 238 CO 0.00 0.00 0.56 0.00 -1.01 0.00 0.00 177.57 177.12 3k1q h ALA 239 N -0.89 2.66 -0.28 3.17 0.00 -1.35 -1.72 119.26 120.84 3k1q h ALA 239 Ca 0.02 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 3k1q h ALA 239 Cb 0.15 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 3k1q h ALA 239 CO -0.18 -0.94 -0.34 0.78 0.00 0.00 0.00 179.25 178.57 3k1q h GLY 240 N 0.00 0.79 0.39 0.00 0.00 -1.12 -3.04 103.07 100.10 3k1q h GLY 240 Ca 0.35 -0.84 0.18 0.00 0.00 0.00 0.00 47.33 47.02 3k1q h GLY 240 CO -0.00 0.76 0.58 0.00 0.00 0.00 0.00 176.54 177.88 3k1q h ALA 241 N 0.69 2.05 0.00 3.60 0.00 -0.23 -1.40 119.26 123.98 3k1q h ALA 241 Ca 0.04 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 3k1q h ALA 241 Cb 0.92 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 3k1q h ALA 241 CO 0.08 -0.32 -0.31 0.74 0.00 0.00 0.00 179.25 179.44 3k1q h PHE 242 N 0.52 0.00 0.00 0.00 0.04 -1.58 -2.67 116.94 113.25 3k1q h PHE 242 Ca 0.46 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.23 3k1q h PHE 242 Cb 0.99 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.14 3k1q h PHE 242 CO -0.00 0.31 -0.18 0.09 -0.60 0.00 0.00 178.31 177.92 3k1q n ASN 243 N -3.80 0.28 -4.69 2.17 3.02 -0.60 -3.74 115.26 107.90 3k1q n ASN 243 Ca -0.01 0.27 -0.40 0.00 -0.03 0.00 0.00 54.58 54.41 3k1q n ASN 243 Cb 0.40 -0.28 -0.05 0.00 -0.61 0.00 0.00 39.78 39.24 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 -3.02 3.45 0.15 5.41 0.00 -0.76 -4.87 121.76 122.11 3k1q s ALA 244 Ca 0.12 0.01 -0.34 0.00 0.00 0.00 0.00 51.96 51.75 3k1q s ALA 244 Cb 0.17 -3.07 -0.14 0.00 0.00 0.00 0.00 23.12 20.08 3k1q s ALA 244 CO 0.60 -0.41 1.52 0.00 0.00 0.00 0.00 175.76 177.46 3k1q n ALA 245 N 4.62 0.86 -2.29 0.00 0.00 -1.24 -4.78 120.51 117.67 3k1q n ALA 245 Ca 0.01 0.46 -0.21 0.00 0.00 0.00 0.00 53.44 53.69 3k1q n ALA 245 Cb 0.50 -2.29 -0.04 0.00 0.00 0.00 0.00 19.45 17.62 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 0.77 2.72 0.54 0.00 -4.23 -0.02 -5.02 115.64 110.39 3k1q s THR 246 Ca 0.79 -1.41 0.42 0.00 -1.18 0.00 0.00 61.69 60.32 3k1q s THR 246 Cb -0.74 -3.02 0.64 0.00 1.34 0.00 0.00 72.50 70.72 3k1q s THR 246 CO 0.40 -0.03 1.67 0.77 -0.54 0.00 0.00 174.62 176.90 3k1q h SER 247 N 1.13 0.04 0.00 3.99 4.64 -1.96 -3.21 113.55 118.18 3k1q h SER 247 Ca -0.42 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 3k1q h SER 247 Cb 1.26 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 3k1q h SER 247 CO 0.60 -0.02 -0.90 -0.62 -0.87 0.00 0.00 176.83 175.02 3k1q n GLU 248 N -4.12 2.54 -4.92 4.77 4.71 -1.26 -5.05 120.64 117.30 3k1q n GLU 248 Ca 0.36 0.00 -0.31 0.00 -0.01 0.00 0.00 57.16 57.20 3k1q n GLU 248 Cb 1.64 -0.95 -0.14 0.00 -1.01 0.00 0.00 31.44 30.98 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 -1.86 2.53 0.00 2.62 0.11 -1.21 -4.80 120.40 117.79 3k1q s VAL 249 Ca 0.00 -1.11 0.00 0.00 -2.93 0.00 0.00 61.98 57.94 3k1q s VAL 249 Cb 0.00 -1.99 0.00 0.00 -1.53 0.00 0.00 36.38 32.86 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 1.98 -1.08 3.30 6.54 0.00 -1.26 -0.84 105.19 113.83 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 -2.48 3.91 0.14 1.61 0.15 -1.26 -3.63 113.70 112.13 3k1q s SER 251 Ca 0.00 -0.41 -0.20 0.00 0.70 0.00 0.00 55.95 56.04 3k1q s SER 251 Cb 0.00 -1.62 -0.00 0.00 -1.71 0.00 0.00 66.02 62.69 3k1q s SER 251 CO 0.00 0.08 1.69 -0.07 1.20 0.00 0.00 173.24 176.14 3k1q h LEU 252 N 7.34 -0.26 -0.80 3.45 4.07 -1.87 -2.60 115.31 124.65 3k1q h LEU 252 Ca -0.33 0.07 0.09 0.00 0.08 0.00 0.00 57.88 57.79 3k1q h LEU 252 Cb 1.19 0.16 -0.07 0.00 1.08 0.00 0.00 40.66 43.01 3k1q h LEU 252 CO 0.58 -0.10 0.45 -0.37 -1.08 0.00 0.00 178.44 177.92 3k1q h VAL 253 N -0.02 0.90 0.00 1.22 -1.51 -1.96 -2.63 116.25 112.25 3k1q h VAL 253 Ca 0.11 -0.26 0.00 0.00 -1.23 0.00 0.00 66.70 65.32 3k1q h VAL 253 Cb 0.20 0.08 0.00 0.00 -2.13 0.00 0.00 31.29 29.43 3k1q h VAL 253 CO -0.25 0.14 0.00 0.61 -1.23 0.00 0.00 177.57 176.84 3k1q n GLY 254 N -1.32 -2.90 0.37 5.19 0.00 -1.13 -0.80 105.19 104.61 3k1q n GLY 254 Ca 0.13 0.33 0.12 0.00 0.00 0.00 0.00 46.02 46.60 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 0.55 0.26 1.61 4.64 -1.54 0.14 113.55 119.21 3k1q h SER 255 Ca 0.00 0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.33 3k1q h SER 255 Cb 0.00 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.00 3k1q h SER 255 CO 0.00 0.30 -0.12 -1.28 -0.87 0.00 0.00 176.83 174.86 3k1q h SER 256 N 0.59 -0.29 -0.06 4.97 0.87 -1.31 -0.62 113.55 117.70 3k1q h SER 256 Ca 0.38 -0.14 0.04 0.00 -1.23 0.00 0.00 61.79 60.84 3k1q h SER 256 Cb 0.64 0.08 -0.05 0.00 -0.44 0.00 0.00 62.40 62.63 3k1q h SER 256 CO -0.14 -0.02 -0.27 0.28 -0.53 0.00 0.00 176.83 176.15 3k1q h SER 257 N -0.57 -0.81 -0.01 6.23 0.02 -0.53 -0.89 113.55 116.99 3k1q h SER 257 Ca -0.04 0.12 0.01 0.00 -0.84 0.00 0.00 61.79 61.04 3k1q h SER 257 Cb 0.42 0.34 -0.03 0.00 0.14 0.00 0.00 62.40 63.27 3k1q h SER 257 CO 0.06 -0.33 -0.31 0.74 -1.14 0.00 0.00 176.83 175.86 3k1q h THR 258 N -0.37 0.00 -0.80 -2.27 2.02 -0.65 -0.75 112.91 110.09 3k1q h THR 258 Ca 0.08 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.37 3k1q h THR 258 Cb 0.49 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 66.82 3k1q h THR 258 CO -0.28 0.00 0.42 -0.07 0.37 0.00 0.00 175.52 175.96 3k1q h LEU 259 N -0.38 0.56 -0.72 2.58 3.38 -0.82 -2.14 115.31 117.78 3k1q h LEU 259 Ca 0.01 0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 3k1q h LEU 259 Cb 0.41 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 3k1q h LEU 259 CO -0.21 0.29 0.37 0.28 0.09 0.00 0.00 178.44 179.27 3k1q h SER 260 N 0.68 0.91 -1.00 -0.43 0.02 -0.99 -1.16 113.55 111.57 3k1q h SER 260 Ca 0.40 -0.11 0.09 0.00 -0.84 0.00 0.00 61.79 61.33 3k1q h SER 260 Cb 0.46 -0.23 -0.08 0.00 0.14 0.00 0.00 62.40 62.69 3k1q h SER 260 CO -0.29 0.77 0.64 1.56 -1.14 0.00 0.00 176.83 178.36 3k1q h GLN 261 N 0.99 1.05 0.36 3.45 4.20 -0.63 -0.12 115.11 124.41 3k1q h GLN 261 Ca 0.25 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.88 3k1q h GLN 261 Cb 0.07 -0.24 0.00 0.00 0.30 0.00 0.00 27.48 27.62 3k1q h GLN 261 CO -0.04 0.70 -0.17 0.00 -0.67 0.00 0.00 178.83 178.65 3k1q h ALA 262 N 1.50 -0.48 -0.53 3.87 0.00 -0.90 -2.17 119.26 120.54 3k1q h ALA 262 Ca 0.46 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.32 3k1q h ALA 262 Cb 0.33 0.19 -0.08 0.00 0.00 0.00 0.00 17.79 18.22 3k1q h ALA 262 CO -0.22 -0.77 -0.50 0.82 0.00 0.00 0.00 179.25 178.59 3k1q h ILE 263 N -0.48 0.00 0.00 0.00 2.04 -0.88 -0.84 117.51 117.34 3k1q h ILE 263 Ca -0.05 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.78 3k1q h ILE 263 Cb 0.37 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.45 3k1q h ILE 263 CO 0.08 0.00 -0.13 0.77 0.00 0.00 0.00 178.15 178.87 3k1q h SER 264 N -0.23 0.00 -0.71 1.72 4.64 -0.97 0.31 113.55 118.31 3k1q h SER 264 Ca 0.09 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.34 3k1q h SER 264 Cb 0.47 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.53 3k1q h SER 264 CO -0.62 0.13 0.19 0.71 -0.87 0.00 0.00 176.83 176.37 3k1q h THR 265 N 0.00 1.26 -0.94 2.95 1.35 -1.11 -1.54 112.91 114.88 3k1q h THR 265 Ca -0.00 -0.94 0.04 0.00 -0.55 0.00 0.00 66.41 64.96 3k1q h THR 265 Cb 0.22 0.52 -0.06 0.00 -1.73 0.00 0.00 68.15 67.10 3k1q h THR 265 CO 0.02 0.36 0.61 0.24 -0.25 0.00 0.00 175.52 176.50 3k1q h MET 266 N 1.06 1.13 -0.61 4.72 2.07 0.94 -1.62 114.93 122.61 3k1q h MET 266 Ca 0.23 -0.07 0.08 0.00 -2.07 0.00 0.00 59.70 57.87 3k1q h MET 266 Cb 0.34 -0.25 -0.06 0.00 -1.87 0.00 0.00 31.60 29.75 3k1q h MET 266 CO -0.00 0.74 0.27 0.00 1.07 0.00 0.00 176.91 178.99 3k1q h ALA 267 N 1.40 0.81 0.00 6.32 0.00 -0.59 -2.07 119.26 125.12 3k1q h ALA 267 Ca 0.38 0.06 -0.14 0.00 0.00 0.00 0.00 54.91 55.21 3k1q h ALA 267 Cb 0.05 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3k1q h ALA 267 CO -0.13 -0.12 -0.68 0.78 0.00 0.00 0.00 179.25 179.09 3k1q h GLY 268 N 0.49 0.00 2.00 0.00 0.00 -1.14 -2.78 103.07 101.64 3k1q h GLY 268 Ca 0.30 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.57 3k1q h GLY 268 CO -0.26 0.00 -0.26 1.70 0.00 0.00 0.00 176.54 177.72 3k1q h LYS 269 N 0.00 0.00 -3.09 4.80 3.64 -0.91 -3.47 116.57 117.54 3k1q h LYS 269 Ca -0.01 0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 59.05 3k1q h LYS 269 Cb 1.21 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.99 3k1q h LYS 269 CO 0.09 0.26 -0.39 -3.47 -2.27 0.00 0.00 179.45 173.67 3k1q n ASP 270 N -3.53 -4.66 0.00 4.20 2.03 -0.81 -4.48 116.55 109.29 3k1q n ASP 270 Ca -0.01 0.16 0.00 0.00 0.52 0.00 0.00 54.79 55.46 3k1q n ASP 270 Cb 0.41 -3.97 0.00 0.00 -0.72 0.00 0.00 41.12 36.85 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 -2.75 0.00 -0.30 -2.67 4.32 -1.24 -3.90 117.00 110.47 3k1q n LEU 271 Ca -0.18 0.00 0.23 0.00 -0.02 0.00 0.00 56.01 56.04 3k1q n LEU 271 Cb 0.62 0.00 0.43 0.00 -1.62 0.00 0.00 43.42 42.85 3k1q n LEU 271 CO 0.22 0.00 0.87 0.47 -1.22 0.00 0.00 177.39 177.73 3k1q n ASP 272 N 0.00 0.15 0.00 -1.43 8.00 -1.26 -3.02 116.55 119.00 3k1q n ASP 272 Ca 0.00 1.52 0.00 0.00 0.71 0.00 0.00 54.79 57.02 3k1q n ASP 272 Cb 0.00 -0.67 0.00 0.00 -0.02 0.00 0.00 41.12 40.43 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 -5.16 0.00 0.19 0.64 4.32 -1.25 0.20 117.00 115.94 3k1q n LEU 273 Ca 0.29 0.00 0.04 0.00 -0.02 0.00 0.00 56.01 56.32 3k1q n LEU 273 Cb 0.99 0.00 0.39 0.00 -1.62 0.00 0.00 43.42 43.17 3k1q n LEU 273 CO -0.02 0.00 0.73 0.40 -1.22 0.00 0.00 177.39 177.28 3k1q h ILE 274 N 0.00 1.14 -1.75 -0.08 1.08 -1.92 -3.37 117.51 112.61 3k1q h ILE 274 Ca 0.00 -1.28 -0.76 0.00 -0.39 0.00 0.00 64.86 62.43 3k1q h ILE 274 Cb 0.00 1.71 -0.21 0.00 -3.07 0.00 0.00 36.82 35.25 3k1q h ILE 274 CO 0.00 0.35 1.49 -0.62 -0.69 0.00 0.00 178.15 178.68 3k1q n GLU 275 N -3.94 4.71 -3.74 2.37 4.71 0.13 -2.96 120.64 121.92 3k1q n GLU 275 Ca -0.02 -3.98 -0.29 0.00 -0.01 0.00 0.00 57.16 52.86 3k1q n GLU 275 Cb 0.41 -2.49 -0.15 0.00 -1.01 0.00 0.00 31.44 28.20 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 -3.00 1.40 -0.18 0.62 0.00 -1.26 -4.97 121.76 114.37 3k1q s ALA 276 Ca 0.47 -1.39 -0.21 0.00 0.00 0.00 0.00 51.96 50.83 3k1q s ALA 276 Cb 0.22 -1.49 -0.21 0.00 0.00 0.00 0.00 23.12 21.63 3k1q s ALA 276 CO -0.15 -1.51 0.34 -0.44 0.00 0.00 0.00 175.76 173.99 3k1q h ASP 277 N 8.13 0.08 -3.43 0.00 3.32 -1.88 -0.86 116.42 121.77 3k1q h ASP 277 Ca -0.15 -0.65 -0.67 0.00 0.02 0.00 0.00 57.03 55.59 3k1q h ASP 277 Cb 1.04 -0.03 -0.15 0.00 0.22 0.00 0.00 39.33 40.42 3k1q h ASP 277 CO 0.43 1.47 -0.66 0.42 -1.72 0.00 0.00 179.24 179.19 3k1q s THR 278 N -2.37 4.02 -0.34 0.35 -4.23 -1.26 -4.74 115.64 107.08 3k1q s THR 278 Ca -0.26 -0.61 -0.15 0.00 -1.18 0.00 0.00 61.69 59.48 3k1q s THR 278 Cb 0.05 -2.77 -0.09 0.00 1.34 0.00 0.00 72.50 71.03 3k1q s THR 278 CO 0.64 0.40 1.05 -2.65 -0.54 0.00 0.00 174.62 173.52 3k1q n PRO 279 N 1.52 0.00 -3.83 3.99 -0.02 -1.26 -4.97 135.00 130.42 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 -0.64 -0.12 0.00 -0.02 0.00 0.00 33.50 33.25 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 3.29 3.57 0.07 2.45 2.96 -1.16 -4.93 118.68 124.94 3k1q s LEU 280 Ca 0.55 -0.12 -0.31 0.00 -0.22 0.00 0.00 54.13 54.03 3k1q s LEU 280 Cb -0.58 -1.94 -0.09 0.00 0.50 0.00 0.00 46.19 44.08 3k1q s LEU 280 CO 0.24 0.02 1.82 -2.16 -1.32 0.00 0.00 176.35 174.95 3k1q s PRO 281 N 1.28 4.15 0.08 0.98 0.04 -1.26 0.12 135.00 140.41 3k1q s PRO 281 Ca 0.05 2.51 -0.09 0.00 0.04 0.00 0.00 61.00 63.51 3k1q s PRO 281 Cb -0.15 -3.80 0.06 0.00 0.04 0.00 0.00 34.50 30.65 3k1q s PRO 281 CO 0.04 -0.85 0.62 1.33 0.04 0.00 0.00 177.00 178.17 3k1q n VAL 282 N 5.04 -0.23 -0.32 -0.36 0.24 0.54 -1.58 118.33 121.67 3k1q n VAL 282 Ca 0.18 0.95 0.11 0.00 -2.04 0.00 0.00 64.34 63.53 3k1q n VAL 282 Cb 0.40 -1.23 0.32 0.00 -1.47 0.00 0.00 33.84 31.86 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 0.78 0.01 -1.34 4.64 -1.86 0.87 113.55 116.65 3k1q h SER 283 Ca 0.11 0.05 -0.00 0.00 -0.47 0.00 0.00 61.79 61.49 3k1q h SER 283 Cb 0.21 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 3k1q h SER 283 CO -0.39 0.38 -0.00 0.58 -0.87 0.00 0.00 176.83 176.52 3k1q h VAL 284 N 0.82 1.37 0.03 0.95 2.07 -1.68 -3.34 116.25 116.47 3k1q h VAL 284 Ca 0.49 -1.14 -0.22 0.00 0.82 0.00 0.00 66.70 66.65 3k1q h VAL 284 Cb 0.68 2.14 0.02 0.00 -1.52 0.00 0.00 31.29 32.62 3k1q h VAL 284 CO -0.26 0.29 -0.87 0.15 0.02 0.00 0.00 177.57 176.90 3k1q h PHE 285 N -0.50 0.81 -3.25 1.57 3.57 -0.93 -3.45 116.94 114.77 3k1q h PHE 285 Ca -0.00 -0.47 -0.57 0.00 3.53 0.00 0.00 57.97 60.46 3k1q h PHE 285 Cb 0.49 -0.08 -0.06 0.00 2.79 0.00 0.00 35.95 39.09 3k1q h PHE 285 CO 0.10 1.30 0.52 0.99 -2.23 0.00 0.00 178.31 178.98 3k1q s THR 286 N -3.13 4.82 0.00 4.41 2.01 0.30 -5.03 115.64 119.01 3k1q s THR 286 Ca -0.12 1.81 0.00 0.00 0.31 0.00 0.00 61.69 63.70 3k1q s THR 286 Cb 0.05 -4.22 0.00 0.00 0.01 0.00 0.00 72.50 68.34 3k1q s THR 286 CO 0.87 -0.02 0.00 -2.65 -0.69 0.00 0.00 174.62 172.13 3k1q n PRO 287 N 5.41 0.00 -3.27 4.92 -0.02 -1.26 -4.77 135.00 136.01 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 6.81 0.01 2.55 0.15 -1.26 -5.09 113.70 115.88 3k1q s SER 288 Ca 0.00 0.97 0.02 0.00 0.70 0.00 0.00 55.95 57.64 3k1q s SER 288 Cb 0.00 -2.32 -0.04 0.00 -1.71 0.00 0.00 66.02 61.96 3k1q s SER 288 CO 0.00 0.05 -0.01 -0.76 1.20 0.00 0.00 173.24 173.72 3k1q s LEU 289 N 0.23 3.44 0.14 3.45 1.43 -1.26 -5.15 118.68 120.97 3k1q s LEU 289 Ca 0.28 -0.06 0.08 0.00 -1.03 0.00 0.00 54.13 53.41 3k1q s LEU 289 Cb -0.16 -2.00 -0.04 0.00 0.03 0.00 0.00 46.19 44.01 3k1q s LEU 289 CO 0.13 0.26 -0.13 0.00 0.23 0.00 0.00 176.35 176.85 3k1q s ALA 290 N -1.10 2.85 0.76 4.21 0.00 -1.26 -5.09 121.76 122.14 3k1q s ALA 290 Ca 0.20 -1.38 -0.15 0.00 0.00 0.00 0.00 51.96 50.63 3k1q s ALA 290 Cb -0.11 -0.74 -0.01 0.00 0.00 0.00 0.00 23.12 22.26 3k1q s ALA 290 CO 0.11 0.55 0.65 -2.30 0.00 0.00 0.00 175.76 174.77 3k1q n PRO 291 N 0.46 0.25 -4.32 0.00 -0.02 -1.26 -4.76 135.00 125.34 3k1q n PRO 291 Ca -0.13 0.13 -0.17 0.00 -2.02 0.00 0.00 63.50 61.31 3k1q n PRO 291 Cb 0.54 -1.95 -0.10 0.00 -0.02 0.00 0.00 33.50 31.96 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 -3.09 1.29 -0.18 -0.52 1.81 -0.52 -5.02 118.95 112.71 3k1q s ARG 292 Ca 0.66 -1.62 -0.00 0.00 -1.72 0.00 0.00 55.73 53.05 3k1q s ARG 292 Cb -0.32 -0.72 0.01 0.00 -0.45 0.00 0.00 34.95 33.47 3k1q s ARG 292 CO 0.57 -0.01 -0.16 -1.12 -0.68 0.00 0.00 175.30 173.90 3k1q s SER 293 N -3.29 3.48 0.22 0.23 0.01 -1.26 -0.96 113.70 112.13 3k1q s SER 293 Ca 0.25 -0.55 0.08 0.00 1.31 0.00 0.00 55.95 57.03 3k1q s SER 293 Cb 0.04 -1.55 -0.05 0.00 0.21 0.00 0.00 66.02 64.68 3k1q s SER 293 CO 0.07 0.02 -0.13 -0.31 0.41 0.00 0.00 173.24 173.30 3k1q s TYR 294 N 1.18 1.77 -0.02 2.43 1.51 -0.37 -4.96 117.35 118.88 3k1q s TYR 294 Ca 0.02 -0.59 0.02 0.00 -1.01 0.00 0.00 57.07 55.51 3k1q s TYR 294 Cb -0.14 -0.85 -0.03 0.00 -0.11 0.00 0.00 41.96 40.83 3k1q s TYR 294 CO -0.07 0.36 -0.06 -0.98 -1.11 0.00 0.00 175.55 173.69 3k1q s ARG 295 N -3.65 2.65 0.00 -0.62 1.70 -1.26 -0.97 118.95 116.79 3k1q s ARG 295 Ca 0.24 -0.64 0.00 0.00 -0.47 0.00 0.00 55.73 54.85 3k1q s ARG 295 Cb -0.00 -2.55 0.00 0.00 -0.57 0.00 0.00 34.95 31.83 3k1q s ARG 295 CO 0.08 0.63 0.02 -2.30 -1.08 0.00 0.00 175.30 172.64 3k1q n PRO 296 N 1.79 0.00 0.00 3.89 -0.02 -1.26 -4.25 135.00 135.15 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 -0.49 0.00 0.00 -0.02 0.00 0.00 33.50 33.52 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 -2.91 0.00 -1.87 3.55 0.00 -1.26 -0.38 120.51 117.63 3k1q n ALA 297 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 3k1q n ALA 297 Cb 0.00 0.00 0.13 0.00 0.00 0.00 0.00 19.45 19.58 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 0.92 -1.28 0.00 3.01 -1.26 -5.05 117.46 113.79 3k1q n PHE 298 Ca 0.00 -1.67 -0.30 0.00 1.01 0.00 0.00 57.45 56.50 3k1q n PHE 298 Cb 0.00 -0.27 0.13 0.00 -0.01 0.00 0.00 39.48 39.34 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 -3.40 2.62 -0.34 4.37 1.10 0.48 -5.02 121.20 121.01 3k1q s ILE 299 Ca 0.41 0.20 -0.01 0.00 -0.51 0.00 0.00 60.65 60.74 3k1q s ILE 299 Cb 0.38 -2.75 0.08 0.00 0.15 0.00 0.00 42.46 40.32 3k1q s ILE 299 CO -0.04 -0.26 0.07 -0.54 -2.11 0.00 0.00 174.94 172.05 3k1q s LYS 300 N -5.00 2.13 0.42 3.50 -0.14 -1.26 -4.96 119.74 114.43 3k1q s LYS 300 Ca 0.63 -1.55 0.28 0.00 -1.36 0.00 0.00 55.97 53.98 3k1q s LYS 300 Cb -0.17 -3.31 1.44 0.00 -1.68 0.00 0.00 37.83 34.12 3k1q s LYS 300 CO 0.56 -0.82 1.57 -2.30 -0.76 0.00 0.00 175.35 173.60 3k1q n PRO 301 N 4.55 -0.04 -0.37 -1.68 -0.02 -1.26 0.29 135.00 136.46 3k1q n PRO 301 Ca -0.07 1.30 -0.01 0.00 -2.02 0.00 0.00 63.50 62.70 3k1q n PRO 301 Cb 0.42 -2.47 0.13 0.00 -0.02 0.00 0.00 33.50 31.56 3k1q n PRO 301 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3k1q h GLU 302 N 0.00 1.26 0.00 -0.52 3.07 -1.93 -2.69 114.58 113.78 3k1q h GLU 302 Ca 0.87 -0.08 -0.24 0.00 -0.50 0.00 0.00 59.36 59.41 3k1q h GLU 302 Cb 2.63 -0.28 -0.04 0.00 -0.84 0.00 0.00 28.75 30.22 3k1q h GLU 302 CO -0.57 0.84 -1.80 -0.25 -1.40 0.00 0.00 179.01 175.82 3k1q n ASP 303 N -4.42 0.58 -4.40 1.42 8.00 0.15 -4.83 116.55 113.04 3k1q n ASP 303 Ca 0.13 0.26 -0.45 0.00 0.71 0.00 0.00 54.79 55.44 3k1q n ASP 303 Cb 0.06 0.45 -0.02 0.00 -0.02 0.00 0.00 41.12 41.59 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 -2.76 3.85 0.09 2.24 0.00 -0.82 -4.81 121.76 119.55 3k1q s ALA 304 Ca -0.06 -3.16 -0.17 0.00 0.00 0.00 0.00 51.96 48.58 3k1q s ALA 304 Cb 0.08 -3.82 -0.04 0.00 0.00 0.00 0.00 23.12 19.34 3k1q s ALA 304 CO 0.83 -2.63 1.00 1.63 0.00 0.00 0.00 175.76 176.59 3k1q n LYS 305 N 5.12 -0.23 0.00 0.00 5.02 -1.26 -2.71 118.16 124.09 3k1q n LYS 305 Ca 0.22 0.98 0.13 0.00 -2.02 0.00 0.00 58.31 57.62 3k1q n LYS 305 Cb 0.46 -1.44 0.75 0.00 -0.02 0.00 0.00 35.03 34.78 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 -4.35 0.00 -3.30 2.13 4.27 -1.26 -4.68 117.44 110.25 3k1q n TRP 306 Ca 0.01 0.00 -0.08 0.00 -3.89 0.00 0.00 57.50 53.54 3k1q n TRP 306 Cb 0.14 -0.06 -0.06 0.00 -1.36 0.00 0.00 31.31 29.97 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 -2.12 -0.66 0.03 -1.67 2.07 -1.10 0.51 121.20 118.25 3k1q s ILE 307 Ca 0.36 -0.22 0.00 0.00 -1.41 0.00 0.00 60.65 59.38 3k1q s ILE 307 Cb 0.18 -0.95 0.00 0.00 0.13 0.00 0.00 42.46 41.81 3k1q s ILE 307 CO 0.32 -0.22 0.00 0.00 -1.91 0.00 0.00 174.94 173.13 3k1q n ALA 308 N 5.36 0.03 -2.71 1.50 0.00 -0.84 -4.35 120.51 119.50 3k1q n ALA 308 Ca -0.00 -0.12 -0.18 0.00 0.00 0.00 0.00 53.44 53.14 3k1q n ALA 308 Cb 0.50 0.06 -0.13 0.00 0.00 0.00 0.00 19.45 19.88 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 -2.10 0.79 0.53 0.00 0.41 -1.26 0.44 118.70 117.50 3k1q s GLU 309 Ca 0.00 -0.74 -0.22 0.00 -0.41 0.00 0.00 54.97 53.60 3k1q s GLU 309 Cb -0.00 -0.75 -0.05 0.00 -1.78 0.00 0.00 34.13 31.55 3k1q s GLU 309 CO 0.00 0.18 1.33 0.12 -0.49 0.00 0.00 175.26 176.40 3k1q s PHE 310 N -0.96 2.38 -0.10 1.61 5.36 -1.26 -4.90 117.98 120.11 3k1q s PHE 310 Ca -0.01 1.40 -0.05 0.00 -0.96 0.00 0.00 56.93 57.30 3k1q s PHE 310 Cb -0.08 -3.74 -0.04 0.00 -0.34 0.00 0.00 43.02 38.83 3k1q s PHE 310 CO 0.01 -2.68 0.11 0.54 -1.46 0.00 0.00 175.22 171.74 3k1q s ASN 311 N -1.01 6.09 0.49 6.13 4.22 -1.26 -4.33 114.94 125.26 3k1q s ASN 311 Ca 0.70 0.37 -0.23 0.00 -2.14 0.00 0.00 52.86 51.56 3k1q s ASN 311 Cb -0.39 -1.90 -0.08 0.00 1.28 0.00 0.00 41.25 40.16 3k1q s ASN 311 CO 0.46 0.39 1.17 -3.20 -2.04 0.00 0.00 177.10 173.87 3k1q n ASN 312 N 1.91 1.92 -1.04 3.54 5.15 -1.22 -4.60 115.26 120.92 3k1q n ASN 312 Ca -0.19 1.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.79 3k1q n ASN 312 Cb 0.54 -1.46 0.00 0.00 -0.53 0.00 0.00 39.78 38.33 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 -0.20 -1.94 0.00 1.20 7.64 -1.26 -4.94 113.62 114.12 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 0.42 -0.97 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 -0.98 6.43 3.41 -1.26 -5.03 113.62 116.19 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 0.17 0.00 0.00 -0.26 0.00 0.00 64.21 64.12 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 -1.84 -1.31 -4.18 1.04 4.77 -0.47 -4.99 117.00 110.01 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 -0.66 -0.09 0.00 -2.33 0.00 0.00 43.42 40.35 3k1q n LEU 315 CO 0.00 0.00 0.02 -0.63 -1.33 0.00 0.00 177.39 175.45 3k1q s ILE 316 N -0.16 4.10 0.00 -0.08 1.01 -0.95 -4.86 121.20 120.25 3k1q s ILE 316 Ca 0.00 -2.18 0.00 0.00 0.00 0.00 0.00 60.65 58.47 3k1q s ILE 316 Cb 0.00 -3.68 0.00 0.00 0.01 0.00 0.00 42.46 38.79 3k1q s ILE 316 CO 0.00 -0.81 0.00 0.54 0.00 0.00 0.00 174.94 174.67 3k1q n ARG 317 N 4.43 0.00 -2.78 2.79 3.00 -1.26 -0.53 116.66 122.31 3k1q n ARG 317 Ca -0.01 0.00 -0.43 0.00 -0.01 0.00 0.00 57.85 57.40 3k1q n ARG 317 Cb 0.41 -0.15 -0.04 0.00 0.00 0.00 0.00 32.46 32.68 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 3.76 -0.13 5.56 2.47 -1.26 -1.68 119.74 128.46 3k1q s LYS 318 Ca 0.00 0.49 0.03 0.00 -1.56 0.00 0.00 55.97 54.92 3k1q s LYS 318 Cb 0.00 -3.84 0.01 0.00 -1.46 0.00 0.00 37.83 32.53 3k1q s LYS 318 CO 0.00 -1.06 -0.22 0.95 0.16 0.00 0.00 175.35 175.17 3k1q s THR 319 N 3.65 2.04 0.11 3.43 -4.23 -0.96 -5.02 115.64 114.65 3k1q s THR 319 Ca 0.39 -0.98 -0.33 0.00 -1.18 0.00 0.00 61.69 59.59 3k1q s THR 319 Cb -0.11 -1.79 -0.12 0.00 1.34 0.00 0.00 72.50 71.82 3k1q s THR 319 CO 0.22 0.55 1.71 -0.11 -0.54 0.00 0.00 174.62 176.45 3k1q n LEU 320 N 3.91 3.50 -0.06 4.79 7.94 -1.26 -2.71 117.00 133.11 3k1q n LEU 320 Ca -0.20 1.04 -0.05 0.00 -1.11 0.00 0.00 56.01 55.69 3k1q n LEU 320 Cb 0.52 -1.46 -0.10 0.00 0.53 0.00 0.00 43.42 42.90 3k1q n LEU 320 CO 0.27 -0.07 -0.90 0.35 -1.11 0.00 0.00 177.39 175.93 3k1q n THR 321 N 4.11 0.80 -3.99 1.96 -2.24 -0.54 -4.92 114.28 109.46 3k1q n THR 321 Ca 0.18 -0.53 -0.13 0.00 -2.27 0.00 0.00 64.05 61.31 3k1q n THR 321 Cb 0.32 -0.58 -0.03 0.00 -2.10 0.00 0.00 70.33 67.94 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 -2.43 -1.37 -1.65 4.78 9.36 -1.00 -5.00 117.16 119.84 3k1q n TYR 322 Ca -0.19 -2.07 -0.40 0.00 3.32 0.00 0.00 57.90 58.56 3k1q n TYR 322 Cb 0.87 0.50 -0.03 0.00 -0.63 0.00 0.00 39.34 40.05 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 -2.92 5.02 -1.39 2.98 0.01 -1.26 -1.71 113.70 114.43 3k1q s SER 323 Ca 0.25 1.36 -0.09 0.00 1.31 0.00 0.00 55.95 58.78 3k1q s SER 323 Cb -0.01 -2.51 0.07 0.00 0.21 0.00 0.00 66.02 63.78 3k1q s SER 323 CO 0.18 -2.38 0.60 0.61 0.41 0.00 0.00 173.24 172.66 3k1q n GLY 324 N 5.84 -0.49 3.00 3.44 0.00 -1.26 -4.97 105.19 110.74 3k1q n GLY 324 Ca 0.32 0.11 -0.16 0.00 0.00 0.00 0.00 46.02 46.29 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 -3.04 0.57 -0.00 4.61 0.00 -0.70 -5.07 121.76 118.13 3k1q s ALA 325 Ca 0.43 -0.37 0.02 0.00 0.00 0.00 0.00 51.96 52.04 3k1q s ALA 325 Cb -0.22 -0.11 -0.01 0.00 0.00 0.00 0.00 23.12 22.78 3k1q s ALA 325 CO 0.54 0.11 -0.07 0.95 0.00 0.00 0.00 175.76 177.29 3k1q s THR 326 N -0.36 0.52 -0.02 0.00 -4.23 0.18 -1.47 115.64 110.26 3k1q s THR 326 Ca 0.01 -0.33 0.03 0.00 -1.18 0.00 0.00 61.69 60.21 3k1q s THR 326 Cb -0.04 -0.45 -0.00 0.00 1.34 0.00 0.00 72.50 73.35 3k1q s THR 326 CO -0.00 0.12 -0.10 -0.47 -0.54 0.00 0.00 174.62 173.63 3k1q s TYR 327 N -0.23 0.95 -0.62 3.99 5.04 -1.10 -3.22 117.35 122.15 3k1q s TYR 327 Ca 0.02 -0.21 -0.23 0.00 -2.44 0.00 0.00 57.07 54.21 3k1q s TYR 327 Cb -0.03 -0.65 0.06 0.00 0.35 0.00 0.00 41.96 41.70 3k1q s TYR 327 CO -0.00 -0.06 0.92 0.95 -1.34 0.00 0.00 175.55 176.02 3k1q s THR 328 N 0.01 4.40 0.18 4.34 -4.23 -1.26 -2.27 115.64 116.80 3k1q s THR 328 Ca -0.00 -0.25 0.30 0.00 -1.18 0.00 0.00 61.69 60.56 3k1q s THR 328 Cb -0.07 -4.62 0.33 0.00 1.34 0.00 0.00 72.50 69.48 3k1q s THR 328 CO 0.00 -1.32 1.96 1.62 -0.54 0.00 0.00 174.62 176.34 3k1q h VAL 329 N 5.97 0.27 -3.22 2.29 3.04 -1.50 -3.48 116.25 119.62 3k1q h VAL 329 Ca -0.28 -0.71 -0.38 0.00 -1.01 0.00 0.00 66.70 64.32 3k1q h VAL 329 Cb 1.07 1.56 -0.02 0.00 -2.01 0.00 0.00 31.29 31.89 3k1q h VAL 329 CO 1.14 0.09 -0.49 1.67 -1.01 0.00 0.00 177.57 178.97 3k1q n GLN 330 N -3.27 -1.87 -1.44 4.17 -0.06 0.31 -4.38 117.38 110.84 3k1q n GLN 330 Ca -0.00 0.92 -0.47 0.00 -2.00 0.00 0.00 57.00 55.45 3k1q n GLN 330 Cb 0.33 -5.58 -0.10 0.00 -4.06 0.00 0.00 30.24 20.83 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 -3.00 1.28 0.00 1.69 7.94 -0.18 -3.95 117.00 120.78 3k1q n LEU 331 Ca -0.22 0.24 0.00 0.00 -1.11 0.00 0.00 56.01 54.91 3k1q n LEU 331 Cb 0.67 -1.13 0.00 0.00 0.53 0.00 0.00 43.42 43.49 3k1q n LEU 331 CO 0.27 -0.87 0.00 0.61 -1.11 0.00 0.00 177.39 176.28 3k1q n GLY 332 N 6.64 0.69 3.56 -3.96 0.00 -1.26 -1.37 105.19 109.48 3k1q n GLY 332 Ca 0.51 0.41 -0.28 0.00 0.00 0.00 0.00 46.02 46.67 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 1.95 2.14 -1.30 1.61 0.04 -1.26 -3.45 135.00 134.73 3k1q s PRO 333 Ca 0.00 0.60 -0.05 0.00 0.04 0.00 0.00 61.00 61.59 3k1q s PRO 333 Cb 0.00 -4.71 0.01 0.00 0.04 0.00 0.00 34.50 29.84 3k1q s PRO 333 CO 0.00 -3.56 1.07 0.41 0.04 0.00 0.00 177.00 174.96 3k1q n GLY 334 N 6.38 -0.46 3.56 0.56 0.00 -1.26 -4.67 105.19 109.30 3k1q n GLY 334 Ca 0.37 0.18 -0.17 0.00 0.00 0.00 0.00 46.02 46.41 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 -5.94 1.77 2.57 1.61 0.02 -1.26 -4.74 135.00 129.04 3k1q s PRO 335 Ca 0.32 0.43 0.00 0.00 0.02 0.00 0.00 61.00 61.77 3k1q s PRO 335 Cb -0.15 -4.81 0.00 0.00 0.02 0.00 0.00 34.50 29.56 3k1q s PRO 335 CO 0.74 -4.22 0.00 2.41 -0.33 0.00 0.00 177.00 175.60 3k1q n THR 336 N 8.60 0.00 -3.58 0.99 -1.04 -1.24 -4.63 114.28 113.38 3k1q n THR 336 Ca 0.45 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 62.32 3k1q n THR 336 Cb 0.44 0.00 -0.05 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 1.02 -0.37 -2.82 1.81 -1.26 -4.77 118.95 112.55 3k1q s ARG 337 Ca 0.00 -0.22 -0.09 0.00 -1.72 0.00 0.00 55.73 53.70 3k1q s ARG 337 Cb 0.00 0.46 0.04 0.00 -0.45 0.00 0.00 34.95 35.01 3k1q s ARG 337 CO 0.00 -0.36 0.18 0.14 -0.68 0.00 0.00 175.30 174.58 3k1q s VAL 338 N -2.36 4.22 -0.43 3.52 -7.23 0.17 -4.28 120.40 114.02 3k1q s VAL 338 Ca -0.06 -1.06 -0.26 0.00 -1.81 0.00 0.00 61.98 58.79 3k1q s VAL 338 Cb -0.01 -3.41 0.02 0.00 0.56 0.00 0.00 36.38 33.54 3k1q s VAL 338 CO -0.01 -0.27 0.97 -0.63 -0.31 0.00 0.00 175.10 174.85 3k1q s ILE 339 N 1.48 4.45 -1.24 -0.62 1.09 0.12 -1.99 121.20 124.49 3k1q s ILE 339 Ca 0.01 0.99 -0.14 0.00 -1.10 0.00 0.00 60.65 60.40 3k1q s ILE 339 Cb -0.20 -4.44 0.14 0.00 -1.06 0.00 0.00 42.46 36.91 3k1q s ILE 339 CO 0.04 -0.77 1.55 0.47 -0.10 0.00 0.00 174.94 176.13 3k1q n ASP 340 N 7.18 5.12 -2.06 3.58 8.00 0.18 -2.48 116.55 136.06 3k1q n ASP 340 Ca 0.08 -2.97 -0.22 0.00 0.71 0.00 0.00 54.79 52.39 3k1q n ASP 340 Cb 0.48 -1.61 0.13 0.00 -0.02 0.00 0.00 41.12 40.10 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 6.20 2.13 -2.67 -1.24 2.81 -0.66 -4.56 117.12 119.13 3k1q n MET 341 Ca 0.40 -2.56 -0.42 0.00 -1.81 0.00 0.00 57.70 53.31 3k1q n MET 341 Cb 0.43 -2.00 -0.03 0.00 -0.71 0.00 0.00 33.22 30.91 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 6.52 -1.15 7.83 2.47 -1.01 -4.09 114.94 124.53 3k1q s ASN 342 Ca 0.49 -1.57 -0.10 0.00 0.42 0.00 0.00 52.86 52.10 3k1q s ASN 342 Cb 0.41 -2.52 -0.03 0.00 -1.45 0.00 0.00 41.25 37.66 3k1q s ASN 342 CO 0.07 -1.39 0.83 0.00 -3.72 0.00 0.00 177.10 172.88 3k1q n ALA 343 N 8.21 -2.38 -3.02 1.71 0.00 -1.26 -4.94 120.51 118.83 3k1q n ALA 343 Ca 0.28 -0.08 -0.35 0.00 0.00 0.00 0.00 53.44 53.30 3k1q n ALA 343 Cb 0.50 -4.16 -0.02 0.00 0.00 0.00 0.00 19.45 15.77 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 -3.86 3.89 0.00 0.00 2.81 -1.26 -4.85 117.12 113.85 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 0.63 -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 0.53 0.00 -3.87 2.02 -6.64 -1.26 -4.71 119.36 105.42 3k1q n ILE 345 Ca 0.33 0.00 -0.35 0.00 -1.77 0.00 0.00 62.75 60.95 3k1q n ILE 345 Cb 0.35 0.00 -0.14 0.00 -1.44 0.00 0.00 39.64 38.41 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 4.52 0.22 7.28 1.11 -1.26 -4.47 116.67 120.06 3k1q s ASP 346 Ca 0.00 -0.46 0.03 0.00 0.18 0.00 0.00 52.55 52.30 3k1q s ASP 346 Cb 0.00 -1.77 -0.05 0.00 1.07 0.00 0.00 42.92 42.17 3k1q s ASP 346 CO 0.00 -0.06 -0.01 -0.44 1.18 0.00 0.00 175.17 175.84 3k1q s SER 347 N 1.48 1.76 -0.23 0.27 0.01 -0.89 -1.57 113.70 114.52 3k1q s SER 347 Ca 0.05 -1.20 0.02 0.00 1.31 0.00 0.00 55.95 56.13 3k1q s SER 347 Cb -0.15 0.02 0.05 0.00 0.21 0.00 0.00 66.02 66.15 3k1q s SER 347 CO -0.02 -0.51 -0.11 -0.69 0.41 0.00 0.00 173.24 172.33 3k1q s VAL 348 N -3.44 1.94 -1.18 3.43 1.01 0.65 -2.08 120.40 120.73 3k1q s VAL 348 Ca 0.27 -1.36 -0.21 0.00 0.00 0.00 0.00 61.98 60.68 3k1q s VAL 348 Cb 0.05 -2.04 -0.00 0.00 0.00 0.00 0.00 36.38 34.39 3k1q s VAL 348 CO 0.08 0.06 1.80 -0.76 0.00 0.00 0.00 175.10 176.28 3k1q s LEU 349 N 1.23 3.43 -1.02 3.92 1.43 -0.79 -1.88 118.68 125.00 3k1q s LEU 349 Ca -0.05 -1.84 -0.23 0.00 -1.03 0.00 0.00 54.13 50.97 3k1q s LEU 349 Cb -0.18 -2.58 0.00 0.00 0.03 0.00 0.00 46.19 43.46 3k1q s LEU 349 CO -0.07 -2.11 1.71 -0.89 0.23 0.00 0.00 176.35 175.23 3k1q s THR 350 N 7.53 3.73 -0.26 5.49 2.01 -0.75 -1.67 115.64 131.73 3k1q s THR 350 Ca 0.60 -0.76 -0.22 0.00 0.31 0.00 0.00 61.69 61.62 3k1q s THR 350 Cb 0.01 -4.64 -0.01 0.00 0.01 0.00 0.00 72.50 67.86 3k1q s THR 350 CO 0.07 -1.49 0.69 -0.22 -0.69 0.00 0.00 174.62 172.98 3k1q s LEU 351 N 7.38 4.07 -0.42 4.42 2.96 -0.20 0.14 118.68 137.02 3k1q s LEU 351 Ca 0.58 0.77 0.04 0.00 -0.22 0.00 0.00 54.13 55.30 3k1q s LEU 351 Cb -0.02 -2.95 0.11 0.00 0.50 0.00 0.00 46.19 43.83 3k1q s LEU 351 CO -0.02 -0.43 0.15 -1.81 -1.32 0.00 0.00 176.35 172.92 3k1q s ASP 352 N 1.46 4.52 -0.23 3.68 1.01 0.17 -0.24 116.67 127.05 3k1q s ASP 352 Ca 0.29 -2.55 -0.09 0.00 0.71 0.00 0.00 52.55 50.91 3k1q s ASP 352 Cb -0.15 -1.60 -0.04 0.00 1.01 0.00 0.00 42.92 42.13 3k1q s ASP 352 CO 0.09 -0.31 0.11 -0.69 0.21 0.00 0.00 175.17 174.58 3k1q s VAL 353 N 0.36 4.98 0.05 -1.27 1.01 -0.89 -0.82 120.40 123.83 3k1q s VAL 353 Ca 0.14 0.04 -0.22 0.00 0.00 0.00 0.00 61.98 61.95 3k1q s VAL 353 Cb -0.22 -3.30 0.05 0.00 0.00 0.00 0.00 36.38 32.91 3k1q s VAL 353 CO -0.05 0.38 0.50 -0.55 0.00 0.00 0.00 175.10 175.38 3k1q s SER 354 N 0.98 -0.42 0.00 3.32 0.15 -1.26 0.38 113.70 116.85 3k1q s SER 354 Ca 0.06 0.14 0.00 0.00 0.70 0.00 0.00 55.95 56.85 3k1q s SER 354 Cb -0.14 0.48 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 0.00 173.24 174.37 3k1q n GLY 355 N 0.40 2.10 3.59 9.45 0.00 0.07 -4.88 105.19 115.93 3k1q n GLY 355 Ca -0.18 -0.24 -0.42 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 3.05 0.00 2.61 2.01 -1.26 -1.33 115.64 120.72 3k1q s THR 356 Ca 0.00 0.05 0.00 0.00 0.31 0.00 0.00 61.69 62.05 3k1q s THR 356 Cb 0.00 -3.07 0.00 0.00 0.01 0.00 0.00 72.50 69.44 3k1q s THR 356 CO 0.00 -0.05 0.00 0.00 -0.69 0.00 0.00 174.62 173.88 3k1q n ILE 357 N 7.77 0.00 -3.29 1.82 0.13 -1.25 -4.57 119.36 119.97 3k1q n ILE 357 Ca 0.30 0.00 -0.16 0.00 -1.10 0.00 0.00 62.75 61.79 3k1q n ILE 357 Cb 0.47 -0.51 0.02 0.00 -0.84 0.00 0.00 39.64 38.77 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 -2.28 -3.46 -4.67 9.51 4.77 -1.26 -4.81 117.00 114.80 3k1q n LEU 358 Ca 0.00 0.22 -0.40 0.00 -0.03 0.00 0.00 56.01 55.80 3k1q n LEU 358 Cb 0.28 -1.72 0.02 0.00 -2.33 0.00 0.00 43.42 39.68 3k1q n LEU 358 CO 0.00 -0.95 0.77 -2.65 -1.33 0.00 0.00 177.39 173.23 3k1q n PRO 359 N 0.62 1.60 -1.50 3.23 -0.02 -1.26 -4.79 135.00 132.88 3k1q n PRO 359 Ca -0.03 0.58 -0.57 0.00 -2.02 0.00 0.00 63.50 61.46 3k1q n PRO 359 Cb 0.55 -2.28 -0.09 0.00 -0.02 0.00 0.00 33.50 31.66 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 -0.60 1.64 0.00 6.00 0.53 -1.26 -4.84 117.16 118.63 3k1q n TYR 360 Ca 0.09 0.55 0.00 0.00 -1.02 0.00 0.00 57.90 57.52 3k1q n TYR 360 Cb 0.41 -2.42 0.00 0.00 -1.03 0.00 0.00 39.34 36.30 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 7.45 0.00 -2.82 7.72 10.43 -1.26 -2.12 116.55 135.94 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 43.10 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 -0.10 -4.66 -3.53 5.66 -1.26 -5.12 114.28 105.27 3k1q n THR 362 Ca 0.00 -1.90 -0.33 0.00 -3.05 0.00 0.00 64.05 58.76 3k1q n THR 362 Cb 0.00 0.97 -0.13 0.00 -1.55 0.00 0.00 70.33 69.62 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 -1.61 4.33 0.00 1.09 0.01 -0.90 -5.00 114.94 112.86 3k1q s ASN 363 Ca 0.32 -0.22 0.00 0.00 -0.71 0.00 0.00 52.86 52.25 3k1q s ASN 363 Cb 0.23 -1.53 0.00 0.00 0.41 0.00 0.00 41.25 40.36 3k1q s ASN 363 CO -0.21 0.21 0.68 -0.81 -1.51 0.00 0.00 177.10 175.46 3k1q n PRO 364 N 3.24 0.49 -1.95 -0.60 -0.04 -1.26 -3.39 135.00 131.48 3k1q n PRO 364 Ca -0.18 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.02 3k1q n PRO 364 Cb 0.53 -1.26 0.03 0.00 -0.04 0.00 0.00 33.50 32.76 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 1.15 5.32 -0.07 3.54 8.00 -1.26 -4.50 116.55 128.74 3k1q n ASP 365 Ca 0.00 -3.75 -0.18 0.00 0.71 0.00 0.00 54.79 51.56 3k1q n ASP 365 Cb 0.24 -0.44 -0.13 0.00 -0.02 0.00 0.00 41.12 40.78 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 2.19 0.08 -9.88 0.64 3.38 -1.93 -3.39 115.31 106.39 3k1q h LEU 366 Ca 0.40 -0.79 -0.52 0.00 0.09 0.00 0.00 57.88 57.06 3k1q h LEU 366 Cb 1.39 -0.03 0.06 0.00 0.09 0.00 0.00 40.66 42.18 3k1q h LEU 366 CO 0.88 1.30 0.63 -0.94 0.09 0.00 0.00 178.44 180.40 3k1q s SER 367 N -6.62 6.75 0.00 -0.43 1.04 -1.26 -4.36 113.70 108.83 3k1q s SER 367 Ca -0.23 2.67 0.00 0.00 0.48 0.00 0.00 55.95 58.87 3k1q s SER 367 Cb 0.02 -2.65 0.00 0.00 0.10 0.00 0.00 66.02 63.49 3k1q s SER 367 CO 0.67 -0.55 0.00 0.35 0.98 0.00 0.00 173.24 174.69 3k1q n THR 368 N 0.75 0.00 -3.77 2.02 -2.24 -1.26 -4.94 114.28 104.84 3k1q n THR 368 Ca 0.00 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.41 3k1q n THR 368 Cb 0.42 0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 68.52 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 -2.16 5.17 0.02 3.42 1.04 -1.13 -3.84 113.70 116.21 3k1q s SER 369 Ca 0.00 -0.99 0.01 0.00 0.48 0.00 0.00 55.95 55.45 3k1q s SER 369 Cb 0.00 -1.85 -0.04 0.00 0.10 0.00 0.00 66.02 64.23 3k1q s SER 369 CO 0.00 -0.27 0.04 0.68 0.98 0.00 0.00 173.24 174.67 3k1q s VAL 370 N 1.42 4.39 -0.13 5.02 -7.23 -0.72 -4.74 120.40 118.42 3k1q s VAL 370 Ca -0.00 -0.59 -0.29 0.00 -1.81 0.00 0.00 61.98 59.28 3k1q s VAL 370 Cb -0.19 -3.01 -0.05 0.00 0.56 0.00 0.00 36.38 33.69 3k1q s VAL 370 CO 0.02 0.31 1.87 -2.84 -0.31 0.00 0.00 175.10 174.15 3k1q s PRO 371 N -1.80 3.76 0.14 4.82 0.02 -1.26 -0.02 135.00 140.67 3k1q s PRO 371 Ca 0.23 2.07 0.03 0.00 0.02 0.00 0.00 61.00 63.34 3k1q s PRO 371 Cb -0.12 -4.15 -0.04 0.00 0.02 0.00 0.00 34.50 30.21 3k1q s PRO 371 CO 0.14 -1.36 -0.06 0.00 -0.33 0.00 0.00 177.00 175.39 3k1q s ALA 372 N 5.65 1.31 -0.13 -1.55 0.00 0.23 -4.74 121.76 122.54 3k1q s ALA 372 Ca 0.83 -1.49 -0.00 0.00 0.00 0.00 0.00 51.96 51.30 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 -0.20 -0.12 0.12 0.00 0.00 0.00 175.76 175.91 3k1q s PHE 373 N -3.49 2.84 -0.13 0.00 5.36 0.25 -0.62 117.98 122.20 3k1q s PHE 373 Ca 0.17 -0.53 0.01 0.00 -0.96 0.00 0.00 56.93 55.62 3k1q s PHE 373 Cb 0.04 -1.84 0.02 0.00 -0.34 0.00 0.00 43.02 40.90 3k1q s PHE 373 CO 0.00 -0.14 -0.15 0.08 -1.46 0.00 0.00 175.22 173.56 3k1q s VAL 374 N 0.24 1.53 0.16 3.12 1.01 -0.45 -0.49 120.40 125.52 3k1q s VAL 374 Ca -0.08 -0.64 -0.21 0.00 0.00 0.00 0.00 61.98 61.05 3k1q s VAL 374 Cb -0.15 -1.42 -0.08 0.00 0.00 0.00 0.00 36.38 34.73 3k1q s VAL 374 CO 0.05 0.45 0.69 -0.22 0.00 0.00 0.00 175.10 176.07 3k1q s LEU 375 N 1.20 4.48 -0.18 3.92 2.96 0.78 0.63 118.68 132.47 3k1q s LEU 375 Ca -0.02 1.43 -0.02 0.00 -0.22 0.00 0.00 54.13 55.31 3k1q s LEU 375 Cb -0.14 -3.27 -0.01 0.00 0.50 0.00 0.00 46.19 43.27 3k1q s LEU 375 CO -0.05 0.17 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.41 3k1q s ILE 376 N -1.27 3.00 -0.65 6.68 1.01 0.22 -1.38 121.20 128.82 3k1q s ILE 376 Ca 0.36 -0.64 0.05 0.00 0.00 0.00 0.00 60.65 60.43 3k1q s ILE 376 Cb -0.20 -2.31 0.20 0.00 0.01 0.00 0.00 42.46 40.16 3k1q s ILE 376 CO 0.22 0.48 0.57 0.00 0.00 0.00 0.00 174.94 176.21 3k1q n GLN 377 N 4.31 1.91 -4.41 2.79 6.02 -0.54 -0.53 117.38 126.94 3k1q n GLN 377 Ca -0.19 -4.41 -0.20 0.00 -0.01 0.00 0.00 57.00 52.19 3k1q n GLN 377 Cb 0.51 -2.19 -0.15 0.00 1.02 0.00 0.00 30.24 29.43 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 -1.70 0.78 -1.96 5.09 -1.32 -0.48 -2.23 115.64 113.83 3k1q s THR 378 Ca 0.31 -0.40 0.00 0.00 -1.21 0.00 0.00 61.69 60.38 3k1q s THR 378 Cb 0.04 -0.67 0.00 0.00 -1.51 0.00 0.00 72.50 70.36 3k1q s THR 378 CO -0.12 0.23 0.78 -1.20 -2.21 0.00 0.00 174.62 172.10 3k1q n SER 379 N 2.98 0.03 -4.25 8.08 7.64 -1.26 -2.97 113.62 123.87 3k1q n SER 379 Ca -0.15 -1.59 -0.39 0.00 1.01 0.00 0.00 58.87 57.74 3k1q n SER 379 Cb 0.56 -0.01 -0.11 0.00 -1.01 0.00 0.00 64.21 63.64 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 -1.96 4.04 -0.00 0.44 1.01 -1.26 -4.92 120.40 117.75 3k1q s VAL 380 Ca 0.00 -1.44 -0.34 0.00 0.00 0.00 0.00 61.98 60.20 3k1q s VAL 380 Cb 0.00 -3.48 -0.13 0.00 0.00 0.00 0.00 36.38 32.78 3k1q s VAL 380 CO 0.00 -0.48 1.76 -2.65 0.00 0.00 0.00 175.10 173.74 3k1q n PRO 381 N 4.86 2.13 -0.00 2.72 -0.02 -1.26 -4.79 135.00 138.64 3k1q n PRO 381 Ca -0.10 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 3k1q n PRO 381 Cb 0.43 -2.59 0.00 0.00 -0.02 0.00 0.00 33.50 31.32 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 4.48 -0.01 0.29 4.25 2.08 -1.26 0.09 119.36 129.28 3k1q n ILE 382 Ca 0.21 0.03 0.13 0.00 0.56 0.00 0.00 62.75 63.68 3k1q n ILE 382 Cb 0.29 -0.05 0.61 0.00 -0.75 0.00 0.00 39.64 39.74 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 0.30 115.11 121.32 3k1q h GLN 383 Ca 0.01 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.16 3k1q h GLN 383 Cb 0.02 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.55 3k1q h GLN 383 CO -0.01 0.00 -0.42 1.04 -1.50 0.00 0.00 178.83 177.94 3k1q n GLN 384 N -2.40 0.11 -2.76 1.46 3.00 0.11 -4.82 117.38 112.08 3k1q n GLN 384 Ca 0.00 -0.06 -0.43 0.00 -0.01 0.00 0.00 57.00 56.50 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 -2.93 4.43 -0.15 5.09 1.01 0.09 -4.76 120.40 123.18 3k1q s VAL 385 Ca 0.13 -1.58 0.14 0.00 0.00 0.00 0.00 61.98 60.67 3k1q s VAL 385 Cb 0.18 -4.96 -0.20 0.00 0.00 0.00 0.00 36.38 31.40 3k1q s VAL 385 CO 0.66 -1.75 0.06 0.35 0.00 0.00 0.00 175.10 174.42 3k1q n THR 386 N 5.92 1.05 -4.56 3.92 -2.24 -1.26 -4.98 114.28 112.13 3k1q n THR 386 Ca 0.33 -0.66 -0.26 0.00 -2.27 0.00 0.00 64.05 61.20 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 1.62 0.42 4.28 -4.23 -1.26 -4.54 115.64 109.53 3k1q s THR 387 Ca -0.08 -2.00 0.20 0.00 -1.18 0.00 0.00 61.69 58.64 3k1q s THR 387 Cb 0.05 -2.88 0.41 0.00 1.34 0.00 0.00 72.50 71.42 3k1q s THR 387 CO 0.65 0.00 1.81 0.00 -0.54 0.00 0.00 174.62 176.54 3k1q h ALA 388 N 1.89 2.33 -0.98 3.99 0.00 -1.96 -2.28 119.26 122.25 3k1q h ALA 388 Ca -0.43 0.03 0.16 0.00 0.00 0.00 0.00 54.91 54.68 3k1q h ALA 388 Cb 1.24 0.02 -0.10 0.00 0.00 0.00 0.00 17.79 18.95 3k1q h ALA 388 CO 0.76 -0.68 0.59 0.00 0.00 0.00 0.00 179.25 179.92 3k1q h ALA 389 N 1.59 1.55 -0.75 0.00 0.00 -2.00 -2.45 119.26 117.20 3k1q h ALA 389 Ca 0.54 0.06 0.10 0.00 0.00 0.00 0.00 54.91 55.61 3k1q h ALA 389 Cb 1.47 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 19.07 3k1q h ALA 389 CO -0.21 0.04 0.39 -0.91 0.00 0.00 0.00 179.25 178.56 3k1q h ASN 390 N 0.82 0.52 -1.19 0.00 4.21 -1.80 -3.34 115.58 114.80 3k1q h ASN 390 Ca 0.53 0.06 0.34 0.00 1.21 0.00 0.00 56.30 58.44 3k1q h ASN 390 Cb 0.72 -0.03 -0.07 0.00 -1.12 0.00 0.00 38.32 37.82 3k1q h ASN 390 CO -0.34 0.29 0.83 0.16 -1.29 0.00 0.00 177.43 177.08 3k1q h ILE 391 N 0.65 0.39 0.00 2.81 -0.00 -1.57 -3.43 117.51 116.36 3k1q h ILE 391 Ca 0.37 -0.04 0.00 0.00 -0.00 0.00 0.00 64.86 65.19 3k1q h ILE 391 Cb 0.39 0.25 0.00 0.00 -0.00 0.00 0.00 36.82 37.47 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 -4.35 0.00 -4.06 0.16 -1.04 -1.26 -4.08 114.28 99.65 3k1q n THR 392 Ca 0.28 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.97 3k1q n THR 392 Cb 1.19 0.00 -0.15 0.00 -1.82 0.00 0.00 70.33 69.55 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 2.41 -0.54 2.41 0.00 -0.95 -5.03 121.76 119.06 3k1q s ALA 393 Ca 0.00 -1.58 -0.19 0.00 0.00 0.00 0.00 51.96 50.19 3k1q s ALA 393 Cb 0.00 -1.47 0.07 0.00 0.00 0.00 0.00 23.12 21.72 3k1q s ALA 393 CO 0.00 -1.02 0.68 0.96 0.00 0.00 0.00 175.76 176.39 3k1q s ILE 394 N 1.19 4.80 -0.31 0.00 -4.36 -1.26 -1.47 121.20 119.79 3k1q s ILE 394 Ca -0.06 -0.60 -0.06 0.00 -0.26 0.00 0.00 60.65 59.68 3k1q s ILE 394 Cb -0.18 -4.39 0.03 0.00 1.25 0.00 0.00 42.46 39.17 3k1q s ILE 394 CO -0.07 -0.95 0.08 0.42 0.24 0.00 0.00 174.94 174.66 3k1q s THR 395 N 2.79 3.75 -0.41 8.37 -4.23 -0.48 -5.00 115.64 120.43 3k1q s THR 395 Ca 0.15 -0.97 -0.27 0.00 -1.18 0.00 0.00 61.69 59.42 3k1q s THR 395 Cb -0.20 -3.04 -0.04 0.00 1.34 0.00 0.00 72.50 70.56 3k1q s THR 395 CO 0.10 -0.05 2.06 -0.69 -0.54 0.00 0.00 174.62 175.50 3k1q s VAL 396 N 1.43 3.23 -0.25 2.29 1.01 -1.26 -0.15 120.40 126.69 3k1q s VAL 396 Ca -0.00 0.20 -0.16 0.00 0.00 0.00 0.00 61.98 62.02 3k1q s VAL 396 Cb -0.18 -3.42 -0.15 0.00 0.00 0.00 0.00 36.38 32.63 3k1q s VAL 396 CO 0.02 -0.34 -0.14 0.52 0.00 0.00 0.00 175.10 175.16 3k1q n VAL 397 N 7.59 1.54 -3.81 2.92 0.31 -0.58 -4.85 118.33 121.45 3k1q n VAL 397 Ca 0.27 -0.28 -0.32 0.00 -0.01 0.00 0.00 64.34 64.00 3k1q n VAL 397 Cb 0.50 -1.92 -0.11 0.00 -0.91 0.00 0.00 33.84 31.40 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 -7.24 5.09 0.00 4.52 0.01 0.36 -4.72 113.70 111.72 3k1q s SER 398 Ca -0.35 -3.44 0.00 0.00 1.31 0.00 0.00 55.95 53.47 3k1q s SER 398 Cb 0.11 -1.75 0.00 0.00 0.21 0.00 0.00 66.02 64.59 3k1q s SER 398 CO 0.54 -0.20 0.00 0.00 0.41 0.00 0.00 173.24 173.99 3k1q n ALA 399 N 2.61 0.54 -0.92 1.44 0.00 -1.26 -0.58 120.51 122.34 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 0.35 0.01 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 -0.35 0.00 -2.19 0.00 0.00 -1.26 -4.38 120.51 112.33 3k1q n ALA 400 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.06 3k1q n ALA 400 Cb 0.02 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.44 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 0.41 -1.20 0.00 0.00 -1.26 -4.90 107.32 100.37 3k1q s GLY 401 Ca 0.00 -1.02 -0.07 0.00 0.00 0.00 0.00 44.72 43.63 3k1q s GLY 401 CO 0.00 3.21 1.76 0.00 0.00 0.00 0.00 173.10 178.07 3k1q n ALA 402 N 11.92 5.39 -2.00 3.20 0.00 -1.26 -4.41 120.51 133.35 3k1q n ALA 402 Ca 0.20 -4.49 0.00 0.00 0.00 0.00 0.00 53.44 49.14 3k1q n ALA 402 Cb 0.51 -2.72 0.00 0.00 0.00 0.00 0.00 19.45 17.23 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 2.74 0.00 0.00 0.00 3.41 -1.26 -4.63 113.62 113.88 3k1q n SER 403 Ca 0.36 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.97 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 -3.29 7.33 0.00 -1.26 -2.86 120.51 117.43 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 -0.47 0.00 1.10 -1.26 -4.38 121.20 114.20 3k1q s ILE 405 Ca 0.00 -0.10 -0.29 0.00 -0.51 0.00 0.00 60.65 59.75 3k1q s ILE 405 Cb 0.00 -0.59 -0.30 0.00 0.15 0.00 0.00 42.46 41.71 3k1q s ILE 405 CO 0.00 -0.06 1.81 0.59 -2.11 0.00 0.00 174.94 175.17 3k1q n ASN 406 N 2.43 1.31 0.10 4.50 4.13 -1.26 -4.64 115.26 121.83 3k1q n ASN 406 Ca -0.15 -2.52 0.12 0.00 1.68 0.00 0.00 54.58 53.71 3k1q n ASN 406 Cb 0.57 -1.01 0.45 0.00 -1.54 0.00 0.00 39.78 38.25 3k1q n ASN 406 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 3k1q n LEU 407 N 12.83 0.63 -4.73 3.41 4.77 -1.26 -4.78 117.00 127.88 3k1q n LEU 407 Ca 0.45 0.59 -0.42 0.00 -0.03 0.00 0.00 56.01 56.61 3k1q n LEU 407 Cb 0.44 -0.43 -0.03 0.00 -2.33 0.00 0.00 43.42 41.07 3k1q n LEU 407 CO 0.96 -0.29 1.00 0.00 -1.33 0.00 0.00 177.39 177.73 3k1q s ALA 408 N -3.15 3.53 -0.69 -1.18 0.00 -1.26 -1.72 121.76 117.29 3k1q s ALA 408 Ca 0.09 1.07 -0.26 0.00 0.00 0.00 0.00 51.96 52.86 3k1q s ALA 408 Cb 0.12 -3.50 -0.23 0.00 0.00 0.00 0.00 23.12 19.51 3k1q s ALA 408 CO 0.50 -0.54 1.87 -0.89 0.00 0.00 0.00 175.76 176.70 3k1q n ILE 409 N 3.33 0.89 0.56 0.00 5.41 0.15 -4.72 119.36 124.98 3k1q n ILE 409 Ca 0.09 -0.84 0.13 0.00 1.00 0.00 0.00 62.75 63.12 3k1q n ILE 409 Cb 0.43 -2.12 0.32 0.00 -0.71 0.00 0.00 39.64 37.56 3k1q n ILE 409 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 176.55 177.33 3k1q h ASN 410 N 9.74 0.00 -0.99 4.38 -0.26 -1.85 -3.21 115.58 123.39 3k1q h ASN 410 Ca 0.24 -0.05 0.13 0.00 -0.56 0.00 0.00 56.30 56.07 3k1q h ASN 410 Cb 0.81 0.00 -0.09 0.00 -1.06 0.00 0.00 38.32 37.98 3k1q h ASN 410 CO 1.63 0.02 0.62 0.58 -1.06 0.00 0.00 177.43 179.23 3k1q h VAL 411 N 0.00 0.88 -0.29 2.81 2.07 -1.84 -0.96 116.25 118.91 3k1q h VAL 411 Ca 0.00 -0.32 -0.17 0.00 0.82 0.00 0.00 66.70 67.03 3k1q h VAL 411 Cb 0.77 -0.13 -0.10 0.00 -1.52 0.00 0.00 31.29 30.31 3k1q h VAL 411 CO 0.00 0.17 -0.23 0.54 0.02 0.00 0.00 177.57 178.07 3k1q n ARG 412 N -4.63 1.89 0.00 1.57 3.00 -1.26 -4.85 116.66 112.38 3k1q n ARG 412 Ca 0.19 -3.30 0.00 0.00 -0.01 0.00 0.00 57.85 54.74 3k1q n ARG 412 Cb 0.40 -1.80 0.00 0.00 0.00 0.00 0.00 32.46 31.06 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 -1.10 2.87 3.77 -0.13 0.00 -0.36 -5.00 105.19 105.24 3k1q n GLY 413 Ca 0.31 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.30 4.13 -0.82 1.61 1.11 -1.21 -4.93 119.66 119.25 3k1q s GLN 414 Ca 0.00 2.24 0.01 0.00 0.01 0.00 0.00 55.36 57.63 3k1q s GLN 414 Cb 0.00 -2.91 0.22 0.00 -1.01 0.00 0.00 33.01 29.31 3k1q s GLN 414 CO 0.00 -0.38 0.75 -0.35 0.01 0.00 0.00 175.29 175.32 3k1q n PRO 415 N 0.43 2.54 -4.04 2.91 -0.04 -1.26 -3.17 135.00 132.37 3k1q n PRO 415 Ca 0.02 -4.52 -0.33 0.00 -0.04 0.00 0.00 63.50 58.63 3k1q n PRO 415 Cb 0.42 -2.36 -0.15 0.00 -0.04 0.00 0.00 33.50 31.37 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 -1.68 2.36 -0.21 0.54 1.81 -1.23 -3.82 118.95 116.72 3k1q s ARG 416 Ca 0.29 -1.28 -0.28 0.00 -1.72 0.00 0.00 55.73 52.74 3k1q s ARG 416 Cb -0.02 -2.91 -0.05 0.00 -0.45 0.00 0.00 34.95 31.52 3k1q s ARG 416 CO -0.11 -0.54 2.12 0.12 -0.68 0.00 0.00 175.30 176.21 3k1q s PHE 417 N 1.15 1.29 0.54 -0.53 2.19 -0.44 0.29 117.98 122.47 3k1q s PHE 417 Ca -0.07 0.46 -0.18 0.00 0.33 0.00 0.00 56.93 57.47 3k1q s PHE 417 Cb -0.19 -3.99 -0.14 0.00 -1.31 0.00 0.00 43.02 37.39 3k1q s PHE 417 CO -0.05 -4.03 -0.08 -1.71 1.83 0.00 0.00 175.22 171.18 3k1q n ASN 418 N 11.03 -3.47 -4.58 6.13 5.15 -0.70 -0.75 115.26 128.07 3k1q n ASN 418 Ca 0.28 0.64 -0.41 0.00 -0.60 0.00 0.00 54.58 54.48 3k1q n ASN 418 Cb 0.45 -0.89 -0.03 0.00 -0.53 0.00 0.00 39.78 38.79 3k1q n ASN 418 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3k1q s MET 419 N -1.21 3.08 0.07 1.20 0.23 -1.26 -4.43 119.30 116.98 3k1q s MET 419 Ca 0.57 1.14 -0.16 0.00 -1.03 0.00 0.00 55.69 56.22 3k1q s MET 419 Cb -0.47 -4.26 -0.06 0.00 -1.53 0.00 0.00 34.83 28.50 3k1q s MET 419 CO 0.66 -2.17 0.50 -1.17 -2.03 0.00 0.00 175.02 170.80 3k1q s LEU 420 N 7.70 4.45 -0.45 0.18 2.96 0.16 -5.00 118.68 128.68 3k1q s LEU 420 Ca 0.75 1.08 -0.07 0.00 -0.22 0.00 0.00 54.13 55.67 3k1q s LEU 420 Cb -0.19 -2.89 0.11 0.00 0.50 0.00 0.00 46.19 43.72 3k1q s LEU 420 CO 0.29 0.24 0.30 -2.28 -1.32 0.00 0.00 176.35 173.58 3k1q s HIS 421 N -1.21 3.47 0.18 5.38 5.65 -1.26 -2.09 115.29 125.41 3k1q s HIS 421 Ca 0.30 -2.01 -0.11 0.00 0.25 0.00 0.00 55.06 53.49 3k1q s HIS 421 Cb -0.17 -3.39 -0.07 0.00 -1.18 0.00 0.00 32.58 27.77 3k1q s HIS 421 CO 0.17 -0.98 0.52 -0.51 -0.65 0.00 0.00 174.74 173.29 3k1q s LEU 422 N 1.30 4.25 -0.06 8.88 1.43 0.67 -4.98 118.68 130.17 3k1q s LEU 422 Ca 0.06 0.93 0.00 0.00 -1.03 0.00 0.00 54.13 54.09 3k1q s LEU 422 Cb -0.25 -3.46 0.02 0.00 0.03 0.00 0.00 46.19 42.54 3k1q s LEU 422 CO -0.02 0.02 -0.04 -1.10 0.23 0.00 0.00 176.35 175.43 3k1q s GLN 423 N -2.45 0.93 -0.41 1.70 -1.52 -1.26 -1.04 119.66 115.61 3k1q s GLN 423 Ca 0.42 -0.10 0.03 0.00 -1.95 0.00 0.00 55.36 53.77 3k1q s GLN 423 Cb -0.13 -1.00 0.12 0.00 -0.22 0.00 0.00 33.01 31.78 3k1q s GLN 423 CO 0.20 -0.14 0.15 0.00 -0.25 0.00 0.00 175.29 175.26 3k1q s ALA 424 N 1.21 2.82 -0.06 6.09 0.00 -0.67 -4.60 121.76 126.55 3k1q s ALA 424 Ca -0.06 -2.73 -0.14 0.00 0.00 0.00 0.00 51.96 49.03 3k1q s ALA 424 Cb -0.14 -1.99 -0.17 0.00 0.00 0.00 0.00 23.12 20.82 3k1q s ALA 424 CO -0.02 -1.85 1.08 0.25 0.00 0.00 0.00 175.76 175.22 3k1q n THR 425 N 3.81 0.00 -1.74 0.00 -2.24 -1.26 -1.88 114.28 110.96 3k1q n THR 425 Ca 0.04 -0.26 -0.18 0.00 -2.27 0.00 0.00 64.05 61.38 3k1q n THR 425 Cb 0.37 -0.94 -0.08 0.00 -2.10 0.00 0.00 70.33 67.58 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 5.29 1.40 -0.43 4.78 5.36 -0.88 -4.87 117.98 128.63 3k1q s PHE 426 Ca 0.33 1.66 -0.06 0.00 -0.96 0.00 0.00 56.93 57.90 3k1q s PHE 426 Cb 0.06 -3.58 0.11 0.00 -0.34 0.00 0.00 43.02 39.27 3k1q s PHE 426 CO 0.16 -1.22 0.25 -1.21 -1.46 0.00 0.00 175.22 171.74 3k1q s GLU 427 N 8.07 2.27 0.62 10.12 0.41 -1.26 -2.10 118.70 136.82 3k1q s GLU 427 Ca 0.81 -1.72 0.28 0.00 -0.41 0.00 0.00 54.97 53.93 3k1q s GLU 427 Cb -0.07 -3.71 1.49 0.00 -1.78 0.00 0.00 34.13 30.06 3k1q s GLU 427 CO 0.11 -1.07 1.88 0.07 -0.49 0.00 0.00 175.26 175.75 3k1q h ARG 428 N 8.23 0.00 -0.23 1.61 0.11 -1.90 -1.28 114.38 120.93 3k1q h ARG 428 Ca -0.18 0.00 -0.04 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 -0.06 0.93 0.10 0.00 0.00 179.97 181.70 3k1q h GLU 429 N 0.00 0.35 -1.02 0.08 3.07 -1.94 1.26 114.58 116.38 3k1q h GLU 429 Ca 0.14 -0.07 0.25 0.00 -0.50 0.00 0.00 59.36 59.18 3k1q h GLU 429 Cb 1.04 -0.05 -0.12 0.00 -0.84 0.00 0.00 28.75 28.79 3k1q h GLU 429 CO -0.00 0.43 0.62 1.15 -1.40 0.00 0.00 179.01 179.80 3k1q h THR 430 N 0.34 0.53 0.00 1.13 2.02 -1.64 -3.20 112.91 112.09 3k1q h THR 430 Ca 0.07 -0.18 -0.21 0.00 0.77 0.00 0.00 66.41 66.86 3k1q h THR 430 Cb 0.32 -0.05 -0.04 0.00 -1.74 0.00 0.00 68.15 66.64 3k1q h THR 430 CO 0.01 0.10 -1.78 -0.38 0.37 0.00 0.00 175.52 173.84 3k1q n ILE 431 N -4.82 0.79 -3.75 3.11 5.41 -0.79 -5.06 119.36 114.25 3k1q n ILE 431 Ca 0.27 -0.47 -0.23 0.00 1.00 0.00 0.00 62.75 63.32 3k1q n ILE 431 Cb 0.78 -0.73 0.03 0.00 -0.71 0.00 0.00 39.64 39.01 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 -2.47 -3.95 -4.95 1.39 -2.24 0.43 -4.77 114.28 97.72 3k1q n THR 432 Ca -0.19 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.18 3k1q n THR 432 Cb 0.86 -3.55 0.00 0.00 -2.10 0.00 0.00 70.33 65.54 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 -1.62 0.94 5.00 3.38 0.00 -1.26 -4.92 105.19 106.72 3k1q n GLY 433 Ca -0.24 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.11 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 -3.03 -0.61 5.41 -1.26 -4.65 119.36 115.22 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 3.81 -1.38 0.38 -0.04 -1.26 -4.63 135.00 131.88 3k1q n PRO 435 Ca 0.00 -4.25 -0.47 0.00 -0.04 0.00 0.00 63.50 58.74 3k1q n PRO 435 Cb 0.00 -2.68 -0.03 0.00 -0.04 0.00 0.00 33.50 30.75 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 2.97 -0.58 -3.21 0.54 4.02 -1.16 -1.38 117.16 118.36 3k1q n TYR 436 Ca 0.29 0.94 -0.40 0.00 -0.01 0.00 0.00 57.90 58.73 3k1q n TYR 436 Cb 0.37 -1.93 -0.07 0.00 -0.02 0.00 0.00 39.34 37.69 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 -1.03 5.07 0.27 -0.72 1.09 -1.26 -3.47 121.20 121.14 3k1q s ILE 437 Ca 0.63 0.99 0.06 0.00 -1.10 0.00 0.00 60.65 61.24 3k1q s ILE 437 Cb -0.90 -3.87 -0.06 0.00 -1.06 0.00 0.00 42.46 36.57 3k1q s ILE 437 CO 0.56 0.12 -0.06 -0.31 -0.10 0.00 0.00 174.94 175.15 3k1q s TYR 438 N 1.98 1.92 -0.06 3.97 1.51 0.31 -1.65 117.35 125.34 3k1q s TYR 438 Ca 0.24 -0.71 -0.31 0.00 -1.01 0.00 0.00 57.07 55.29 3k1q s TYR 438 Cb -0.16 -1.09 0.08 0.00 -0.11 0.00 0.00 41.96 40.69 3k1q s TYR 438 CO 0.09 0.26 0.73 0.20 -1.11 0.00 0.00 175.55 175.72 3k1q s GLY 439 N -3.43 -0.53 0.26 0.71 0.00 -1.04 -0.61 107.32 102.68 3k1q s GLY 439 Ca 0.29 1.39 0.03 0.00 0.00 0.00 0.00 44.72 46.44 3k1q s GLY 439 CO 0.11 0.94 0.03 -2.27 0.00 0.00 0.00 173.10 171.91 3k1q s LEU 440 N -1.25 2.09 -0.08 0.66 2.96 0.20 0.13 118.68 123.40 3k1q s LEU 440 Ca -0.09 -1.28 0.04 0.00 -0.22 0.00 0.00 54.13 52.58 3k1q s LEU 440 Cb -0.00 -0.25 -0.01 0.00 0.50 0.00 0.00 46.19 46.43 3k1q s LEU 440 CO 0.08 -0.57 -0.21 -0.83 -1.32 0.00 0.00 176.35 173.49 3k1q s GLY 441 N -3.35 1.38 -0.29 7.98 0.00 -1.26 -1.34 107.32 110.44 3k1q s GLY 441 Ca 0.32 -1.00 -0.25 0.00 0.00 0.00 0.00 44.72 43.79 3k1q s GLY 441 CO 0.11 -0.52 1.24 -1.08 0.00 0.00 0.00 173.10 172.85 3k1q s THR 442 N -0.04 0.00 -0.92 0.90 -1.32 0.21 -4.51 115.64 109.95 3k1q s THR 442 Ca -0.06 0.00 -0.25 0.00 -1.21 0.00 0.00 61.69 60.16 3k1q s THR 442 Cb -0.15 -1.00 -0.23 0.00 -1.51 0.00 0.00 72.50 69.61 3k1q s THR 442 CO 0.05 0.00 1.99 2.22 -2.21 0.00 0.00 174.62 176.67 3k1q n PHE 443 N 1.87 0.76 -3.11 9.09 1.16 -1.22 0.75 117.46 126.76 3k1q n PHE 443 Ca -0.11 -0.18 -0.39 0.00 -1.87 0.00 0.00 57.45 54.90 3k1q n PHE 443 Cb 0.56 -2.32 -0.06 0.00 -1.61 0.00 0.00 39.48 36.06 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 14.90 4.47 0.03 5.98 0.20 0.97 -4.60 118.68 140.63 3k1q s LEU 444 Ca 0.75 1.33 0.09 0.00 0.69 0.00 0.00 54.13 57.00 3k1q s LEU 444 Cb -0.03 -3.07 -0.03 0.00 -0.43 0.00 0.00 46.19 42.63 3k1q s LEU 444 CO 0.19 0.11 -0.26 -0.51 -0.29 0.00 0.00 176.35 175.59 3k1q s ILE 445 N -0.41 2.10 -0.04 6.68 2.07 -1.26 -1.75 121.20 128.59 3k1q s ILE 445 Ca 0.34 -1.32 -0.26 0.00 -1.41 0.00 0.00 60.65 57.99 3k1q s ILE 445 Cb -0.20 -1.78 -0.21 0.00 0.13 0.00 0.00 42.46 40.40 3k1q s ILE 445 CO 0.21 0.40 1.20 -0.65 -1.91 0.00 0.00 174.94 174.19 3k1q h PRO 446 N 4.94 -0.00 -6.24 3.50 0.11 -1.80 -3.30 132.00 129.20 3k1q h PRO 446 Ca -0.46 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 0.55 1.22 0.45 -0.21 0.00 0.00 178.00 180.45 3k1q s SER 447 N -5.76 6.24 0.24 -2.05 0.15 -1.26 -0.65 113.70 110.62 3k1q s SER 447 Ca -0.16 1.97 -0.31 0.00 0.70 0.00 0.00 55.95 58.15 3k1q s SER 447 Cb 0.01 -2.53 -0.12 0.00 -1.71 0.00 0.00 66.02 61.67 3k1q s SER 447 CO 0.67 -1.32 1.59 -2.65 1.20 0.00 0.00 173.24 172.74 3k1q n PRO 448 N 7.80 2.52 -3.85 5.44 -0.02 -1.20 -4.88 135.00 140.81 3k1q n PRO 448 Ca 0.21 0.90 -0.35 0.00 -2.02 0.00 0.00 63.50 62.24 3k1q n PRO 448 Cb 0.44 -2.68 -0.08 0.00 -0.02 0.00 0.00 33.50 31.16 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 0.40 5.24 -0.85 3.45 -4.23 -1.21 -4.93 115.64 113.51 3k1q s THR 449 Ca 0.70 0.12 -0.25 0.00 -1.18 0.00 0.00 61.69 61.08 3k1q s THR 449 Cb -0.55 -3.36 -0.04 0.00 1.34 0.00 0.00 72.50 69.89 3k1q s THR 449 CO 0.43 0.49 1.93 -0.55 -0.54 0.00 0.00 174.62 176.38 3k1q s SER 450 N 0.03 5.16 0.33 3.99 0.15 -1.26 -4.54 113.70 117.56 3k1q s SER 450 Ca 0.08 -0.49 0.12 0.00 0.70 0.00 0.00 55.95 56.37 3k1q s SER 450 Cb -0.12 -2.55 1.03 0.00 -1.71 0.00 0.00 66.02 62.67 3k1q s SER 450 CO -0.00 -2.68 1.65 -1.28 1.20 0.00 0.00 173.24 172.13 3k1q h SER 451 N 11.98 0.37 0.10 5.45 0.87 -1.96 0.31 113.55 130.67 3k1q h SER 451 Ca 0.03 0.20 -0.00 0.00 -1.23 0.00 0.00 61.79 60.79 3k1q h SER 451 Cb 1.03 0.18 0.00 0.00 -0.44 0.00 0.00 62.40 63.18 3k1q h SER 451 CO 1.21 -0.17 -0.05 0.77 -0.53 0.00 0.00 176.83 178.07 3k1q h SER 452 N 0.27 -0.11 0.00 6.23 4.64 -2.00 -3.30 113.55 119.28 3k1q h SER 452 Ca 0.70 -0.09 -0.00 0.00 -0.47 0.00 0.00 61.79 61.93 3k1q h SER 452 Cb 1.60 0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 63.71 3k1q h SER 452 CO -0.64 0.02 -0.00 0.78 -0.87 0.00 0.00 176.83 176.12 3k1q h ASN 453 N -0.23 -0.01 -1.20 4.97 4.21 -1.86 -3.36 115.58 118.09 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 0.19 0.00 -0.13 0.00 -1.12 0.00 0.00 38.32 37.26 3k1q h ASN 453 CO 0.02 -0.00 2.16 0.33 -1.29 0.00 0.00 177.43 178.65 3k1q n PHE 454 N -2.33 3.23 0.03 1.19 7.35 0.10 -4.79 117.46 122.24 3k1q n PHE 454 Ca -0.00 -2.87 0.21 0.00 -0.76 0.00 0.00 57.45 54.04 3k1q n PHE 454 Cb 0.00 -2.08 0.73 0.00 0.35 0.00 0.00 39.48 38.48 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 5.93 0.00 -2.46 -2.13 4.64 -1.72 -3.43 113.55 114.37 3k1q h SER 455 Ca 0.42 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 61.21 3k1q h SER 455 Cb 0.65 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.77 3k1q h SER 455 CO 1.64 0.00 1.17 0.21 -0.87 0.00 0.00 176.83 178.97 3k1q s ASN 456 N -5.56 6.43 0.00 4.97 3.04 -1.26 -4.98 114.94 117.58 3k1q s ASN 456 Ca -0.05 2.72 0.00 0.00 0.04 0.00 0.00 52.86 55.58 3k1q s ASN 456 Cb 0.17 -2.55 0.00 0.00 -1.54 0.00 0.00 41.25 37.33 3k1q s ASN 456 CO 0.62 -1.03 0.89 -0.81 -3.04 0.00 0.00 177.10 173.74 3k1q n PRO 457 N 6.48 0.00 0.00 0.43 -0.04 -1.25 -4.83 135.00 135.79 3k1q n PRO 457 Ca 0.19 0.43 0.00 0.00 -0.04 0.00 0.00 63.50 64.07 3k1q n PRO 457 Cb 0.39 -1.39 0.00 0.00 -0.04 0.00 0.00 33.50 32.46 3k1q n PRO 457 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 3k1q n THR 458 N -1.74 0.00 -1.70 0.52 5.66 -1.26 -4.20 114.28 111.56 3k1q n THR 458 Ca 0.00 0.00 -0.18 0.00 -3.05 0.00 0.00 64.05 60.82 3k1q n THR 458 Cb 0.00 0.00 0.10 0.00 -1.55 0.00 0.00 70.33 68.88 3k1q n THR 458 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 3k1q n LEU 459 N 0.00 5.03 -4.58 1.09 4.77 -1.26 -3.66 117.00 118.39 3k1q n LEU 459 Ca 0.00 -4.32 -0.43 0.00 -0.03 0.00 0.00 56.01 51.24 3k1q n LEU 459 Cb 0.00 -0.56 -0.00 0.00 -2.33 0.00 0.00 43.42 40.53 3k1q n LEU 459 CO 0.00 1.69 1.95 -0.32 -1.33 0.00 0.00 177.39 179.38 3k1q s MET 460 N -3.51 3.95 -0.94 3.23 1.75 -1.26 -4.92 119.30 117.59 3k1q s MET 460 Ca 0.51 -1.95 -0.08 0.00 -1.25 0.00 0.00 55.69 52.92 3k1q s MET 460 Cb 0.42 -5.53 0.24 0.00 2.84 0.00 0.00 34.83 32.81 3k1q s MET 460 CO 0.01 -2.29 0.88 -0.51 -0.65 0.00 0.00 175.02 172.46 3k1q s ASP 461 N 4.30 6.65 0.00 1.11 1.11 -1.26 -4.74 116.67 123.84 3k1q s ASP 461 Ca 0.54 -3.35 0.00 0.00 0.18 0.00 0.00 52.55 49.92 3k1q s ASP 461 Cb 0.04 -2.10 0.00 0.00 1.07 0.00 0.00 42.92 41.93 3k1q s ASP 461 CO 0.07 -0.33 0.00 0.61 1.18 0.00 0.00 175.17 176.70 3k1q n GLY 462 N 2.97 2.60 3.56 0.21 0.00 -1.26 -4.74 105.19 108.53 3k1q n GLY 462 Ca 0.19 -0.15 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 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 2.95 -0.38 0.99 2.96 0.00 -4.10 118.68 121.10 3k1q s LEU 463 Ca 0.00 -0.49 0.01 0.00 -0.22 0.00 0.00 54.13 53.43 3k1q s LEU 463 Cb 0.00 -1.71 0.12 0.00 0.50 0.00 0.00 46.19 45.10 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 -2.42 2.41 -0.74 -0.68 2.96 -0.15 0.43 118.68 120.49 3k1q s LEU 464 Ca 0.22 -2.21 -0.19 0.00 -0.22 0.00 0.00 54.13 51.74 3k1q s LEU 464 Cb -0.10 -0.93 0.13 0.00 0.50 0.00 0.00 46.19 45.79 3k1q s LEU 464 CO 0.14 -0.33 0.88 -0.89 -1.32 0.00 0.00 176.35 174.83 3k1q s THR 465 N 0.90 4.86 -0.01 3.68 2.01 0.37 -1.24 115.64 126.21 3k1q s THR 465 Ca 0.15 -1.34 -0.30 0.00 0.31 0.00 0.00 61.69 60.51 3k1q s THR 465 Cb -0.22 -4.60 -0.08 0.00 0.01 0.00 0.00 72.50 67.62 3k1q s THR 465 CO -0.09 -1.27 1.87 -0.69 -0.69 0.00 0.00 174.62 173.75 3k1q s VAL 466 N 2.45 3.21 -1.20 3.82 1.01 -0.14 -1.80 120.40 127.75 3k1q s VAL 466 Ca 0.20 0.25 -0.13 0.00 0.00 0.00 0.00 61.98 62.30 3k1q s VAL 466 Cb -0.15 -3.17 0.18 0.00 0.00 0.00 0.00 36.38 33.24 3k1q s VAL 466 CO -0.01 -0.03 1.41 -0.89 0.00 0.00 0.00 175.10 175.59 3k1q s THR 467 N 4.47 5.11 -0.77 3.92 2.01 -0.79 -1.44 115.64 128.15 3k1q s THR 467 Ca 0.84 -2.70 -0.25 0.00 0.31 0.00 0.00 61.69 59.89 3k1q s THR 467 Cb -0.39 -4.89 -0.19 0.00 0.01 0.00 0.00 72.50 67.04 3k1q s THR 467 CO 0.37 -1.59 1.88 -0.81 -0.69 0.00 0.00 174.62 173.79 3k1q n PRO 468 N 5.42 1.08 -0.28 4.92 -0.04 -1.26 -0.26 135.00 144.58 3k1q n PRO 468 Ca 0.36 -1.84 0.09 0.00 -0.04 0.00 0.00 63.50 62.06 3k1q n PRO 468 Cb 0.42 -3.18 0.24 0.00 -0.04 0.00 0.00 33.50 30.94 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 5.30 0.53 -1.77 0.52 -1.51 -1.80 -3.30 116.25 114.22 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 0.79 0.12 -0.14 0.00 -2.13 0.00 0.00 31.29 29.93 3k1q h VAL 469 CO 1.67 0.07 1.42 -0.22 -1.23 0.00 0.00 177.57 179.27 3k1q s LEU 470 N -10.51 4.52 0.23 4.19 2.96 -0.61 -4.73 118.68 114.73 3k1q s LEU 470 Ca -0.12 -2.35 0.16 0.00 -0.22 0.00 0.00 54.13 51.60 3k1q s LEU 470 Cb 0.23 -2.47 0.86 0.00 0.50 0.00 0.00 46.19 45.31 3k1q s LEU 470 CO 0.77 -1.06 1.49 0.18 -1.32 0.00 0.00 176.35 176.41 3k1q n LEU 471 N 7.05 0.41 -4.60 -0.68 4.32 -1.25 -4.63 117.00 117.63 3k1q n LEU 471 Ca 0.35 0.69 -0.43 0.00 -0.02 0.00 0.00 56.01 56.60 3k1q n LEU 471 Cb 0.47 -0.74 -0.02 0.00 -1.62 0.00 0.00 43.42 41.50 3k1q n LEU 471 CO 0.63 -0.83 1.34 -0.13 -1.22 0.00 0.00 177.39 177.18 3k1q s ARG 472 N -3.40 3.50 0.00 3.23 1.81 -1.26 -4.60 118.95 118.23 3k1q s ARG 472 Ca -0.02 1.12 0.00 0.00 -1.72 0.00 0.00 55.73 55.11 3k1q s ARG 472 Cb 0.05 -4.08 0.00 0.00 -0.45 0.00 0.00 34.95 30.46 3k1q s ARG 472 CO 0.15 -1.66 0.00 -1.91 -0.68 0.00 0.00 175.30 171.20 3k1q n GLU 473 N 8.19 0.00 -2.71 3.54 2.13 -1.26 -4.95 120.64 125.58 3k1q n GLU 473 Ca 0.19 0.35 -0.41 0.00 0.66 0.00 0.00 57.16 57.95 3k1q n GLU 473 Cb 0.47 -0.88 -0.04 0.00 0.27 0.00 0.00 31.44 31.26 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 -0.35 4.42 0.07 6.31 -4.23 -1.25 -4.75 115.64 115.86 3k1q s THR 474 Ca 0.00 2.03 -0.31 0.00 -1.18 0.00 0.00 61.69 62.24 3k1q s THR 474 Cb 0.00 -4.30 -0.08 0.00 1.34 0.00 0.00 72.50 69.46 3k1q s THR 474 CO 0.00 0.32 1.56 -0.89 -0.54 0.00 0.00 174.62 175.07 3k1q s THR 475 N -0.09 3.17 -0.77 3.99 2.01 -0.44 -4.33 115.64 119.18 3k1q s THR 475 Ca 0.47 0.66 -0.15 0.00 0.31 0.00 0.00 61.69 62.98 3k1q s THR 475 Cb -0.24 -3.43 0.19 0.00 0.01 0.00 0.00 72.50 69.03 3k1q s THR 475 CO 0.30 0.01 0.74 -0.47 -0.69 0.00 0.00 174.62 174.51 3k1q s TYR 476 N 2.26 3.57 -0.68 4.92 5.04 -0.67 -1.97 117.35 129.82 3k1q s TYR 476 Ca 0.70 -1.75 -0.07 0.00 -2.44 0.00 0.00 57.07 53.51 3k1q s TYR 476 Cb -0.38 -3.86 0.01 0.00 0.35 0.00 0.00 41.96 38.08 3k1q s TYR 476 CO 0.31 -1.05 0.66 1.63 -1.34 0.00 0.00 175.55 175.75 3k1q n LYS 477 N 4.55 -1.63 0.00 4.97 5.02 -1.26 -1.24 118.16 128.58 3k1q n LYS 477 Ca 0.08 1.43 0.00 0.00 -2.02 0.00 0.00 58.31 57.80 3k1q n LYS 477 Cb 0.45 -4.58 0.00 0.00 -0.02 0.00 0.00 35.03 30.89 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 -1.33 1.27 3.52 0.72 0.00 -1.26 -4.93 105.19 103.19 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 3.34 -0.88 1.61 2.02 -0.37 -4.95 118.70 119.47 3k1q s GLU 479 Ca 0.00 -0.81 -0.26 0.00 0.02 0.00 0.00 54.97 53.92 3k1q s GLU 479 Cb 0.00 -4.61 -0.15 0.00 0.10 0.00 0.00 34.13 29.47 3k1q s GLU 479 CO 0.00 -2.05 2.29 0.08 0.02 0.00 0.00 175.26 175.61 3k1q s VAL 480 N 4.77 3.07 0.10 2.63 1.01 -1.26 -1.67 120.40 129.05 3k1q s VAL 480 Ca 0.35 -0.07 0.10 0.00 0.00 0.00 0.00 61.98 62.35 3k1q s VAL 480 Cb -0.07 -3.36 -0.04 0.00 0.00 0.00 0.00 36.38 32.91 3k1q s VAL 480 CO 0.04 -0.14 -0.23 0.54 0.00 0.00 0.00 175.10 175.31 3k1q s VAL 481 N 14.80 2.46 -1.39 2.92 0.11 -1.26 -5.01 120.40 133.04 3k1q s VAL 481 Ca 0.87 -1.55 0.00 0.00 -2.93 0.00 0.00 61.98 58.38 3k1q s VAL 481 Cb -0.10 -2.07 0.00 0.00 -1.53 0.00 0.00 36.38 32.68 3k1q s VAL 481 CO 0.09 0.18 0.41 0.47 -3.33 0.00 0.00 175.10 172.92 3k1q n ASP 482 N 1.13 0.36 -4.13 3.54 8.00 -1.26 -3.79 116.55 120.39 3k1q n ASP 482 Ca -0.17 -1.17 -0.26 0.00 0.71 0.00 0.00 54.79 53.89 3k1q n ASP 482 Cb 0.53 -0.18 -0.16 0.00 -0.02 0.00 0.00 41.12 41.29 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 -1.39 1.56 -0.23 2.24 0.00 -1.26 -0.34 121.76 122.34 3k1q s ALA 483 Ca 0.00 -0.69 0.02 0.00 0.00 0.00 0.00 51.96 51.29 3k1q s ALA 483 Cb 0.00 -0.54 0.05 0.00 0.00 0.00 0.00 23.12 22.63 3k1q s ALA 483 CO 0.00 0.26 -0.11 0.42 0.00 0.00 0.00 175.76 176.33 3k1q s ILE 484 N 0.14 1.94 -0.65 0.00 -1.09 0.33 -4.55 121.20 117.31 3k1q s ILE 484 Ca -0.06 -1.33 0.01 0.00 -2.23 0.00 0.00 60.65 57.04 3k1q s ILE 484 Cb -0.13 -2.02 0.16 0.00 -1.58 0.00 0.00 42.46 38.90 3k1q s ILE 484 CO 0.03 0.09 0.45 0.68 -1.23 0.00 0.00 174.94 174.96 3k1q s VAL 485 N 1.24 3.33 0.09 2.92 -7.23 -1.26 -2.96 120.40 116.53 3k1q s VAL 485 Ca -0.05 -3.47 -0.33 0.00 -1.81 0.00 0.00 61.98 56.32 3k1q s VAL 485 Cb -0.18 -3.19 -0.14 0.00 0.56 0.00 0.00 36.38 33.43 3k1q s VAL 485 CO -0.07 -0.91 1.58 -0.65 -0.31 0.00 0.00 175.10 174.74 3k1q h PRO 486 N 6.40 -0.81 -0.49 4.82 0.11 -1.67 -2.89 132.00 137.46 3k1q h PRO 486 Ca 0.02 0.06 0.14 0.00 0.11 0.00 0.00 66.00 66.33 3k1q h PRO 486 Cb 0.87 0.19 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 3k1q h PRO 486 CO 0.73 -0.54 0.39 0.00 -0.21 0.00 0.00 178.00 178.36 3k1q h ALA 487 N -0.53 2.39 0.00 -0.75 0.00 -1.06 -0.91 119.26 118.41 3k1q h ALA 487 Ca -0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3k1q h ALA 487 Cb 0.77 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 3k1q h ALA 487 CO -0.11 -0.64 -0.48 1.79 0.00 0.00 0.00 179.25 179.81 3k1q h THR 488 N 0.00 0.08 -0.36 0.00 1.35 -1.68 -3.33 112.91 108.98 3k1q h THR 488 Ca 0.23 -1.12 -0.00 0.00 -0.55 0.00 0.00 66.41 64.97 3k1q h THR 488 Cb 1.01 1.83 -0.02 0.00 -1.73 0.00 0.00 68.15 69.24 3k1q h THR 488 CO -0.00 0.04 0.22 0.58 -0.25 0.00 0.00 175.52 176.11 3k1q h VAL 489 N 0.00 1.10 -1.67 6.82 2.07 -0.94 -3.43 116.25 120.19 3k1q h VAL 489 Ca -0.01 -0.23 -0.67 0.00 0.82 0.00 0.00 66.70 66.62 3k1q h VAL 489 Cb 1.05 0.60 0.09 0.00 -1.52 0.00 0.00 31.29 31.51 3k1q h VAL 489 CO 0.01 0.11 0.02 0.80 0.02 0.00 0.00 177.57 178.53 3k1q n MET 490 N -4.46 0.76 -1.33 1.57 0.00 -1.21 -1.88 117.12 110.57 3k1q n MET 490 Ca 0.02 0.27 -0.12 0.00 0.00 0.00 0.00 57.70 57.87 3k1q n MET 490 Cb 0.08 -1.62 -0.05 0.00 0.00 0.00 0.00 33.22 31.62 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 0.92 -0.19 -1.52 -5.12 0.00 -1.26 -4.77 120.51 108.57 3k1q n ALA 491 Ca 0.15 0.20 0.07 0.00 0.00 0.00 0.00 53.44 53.86 3k1q n ALA 491 Cb 0.24 -1.39 0.19 0.00 0.00 0.00 0.00 19.45 18.49 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 -0.47 1.81 -3.67 0.00 3.02 -0.79 -4.70 115.26 110.46 3k1q n ASN 492 Ca -0.12 -3.71 -0.12 0.00 -0.03 0.00 0.00 54.58 50.59 3k1q n ASN 492 Cb 0.44 -0.51 -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 0.19 0.48 3.52 -1.52 -1.26 -5.06 119.66 112.92 3k1q s GLN 493 Ca 0.37 0.76 -0.05 0.00 -1.95 0.00 0.00 55.36 54.49 3k1q s GLN 493 Cb 0.35 0.01 -0.03 0.00 -0.22 0.00 0.00 33.01 33.11 3k1q s GLN 493 CO -0.05 -0.26 0.78 0.95 -0.25 0.00 0.00 175.29 176.46 3k1q s THR 494 N 2.24 4.89 0.24 -0.19 -4.23 -1.26 -1.11 115.64 116.20 3k1q s THR 494 Ca -0.01 0.16 -0.07 0.00 -1.18 0.00 0.00 61.69 60.59 3k1q s THR 494 Cb -0.12 -3.85 0.22 0.00 1.34 0.00 0.00 72.50 70.09 3k1q s THR 494 CO -0.09 -0.83 1.90 0.28 -0.54 0.00 0.00 174.62 175.34 3k1q h SER 495 N 0.24 1.00 -0.90 3.99 0.02 -1.95 -0.47 113.55 115.48 3k1q h SER 495 Ca -0.47 -0.02 0.19 0.00 -0.84 0.00 0.00 61.79 60.66 3k1q h SER 495 Cb 1.21 -0.24 -0.11 0.00 0.14 0.00 0.00 62.40 63.40 3k1q h SER 495 CO 0.62 0.71 0.45 -0.08 -1.14 0.00 0.00 176.83 177.39 3k1q h GLU 496 N 1.18 0.52 -0.04 3.45 4.22 -1.99 -0.22 114.58 121.70 3k1q h GLU 496 Ca 0.35 -0.03 -0.01 0.00 0.08 0.00 0.00 59.36 59.74 3k1q h GLU 496 Cb -0.07 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.06 3k1q h GLU 496 CO -0.10 0.35 -0.03 0.93 -2.18 0.00 0.00 179.01 177.98 3k1q h GLU 497 N 0.54 0.10 -0.04 1.92 5.08 -1.43 -1.01 114.58 119.74 3k1q h GLU 497 Ca 0.53 -0.05 0.04 0.00 -1.00 0.00 0.00 59.36 58.88 3k1q h GLU 497 Cb 0.91 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.11 3k1q h GLU 497 CO -0.45 0.53 -0.31 0.28 -1.00 0.00 0.00 179.01 178.06 3k1q h VAL 498 N -0.33 0.32 -0.69 3.13 2.07 -1.03 0.50 116.25 120.22 3k1q h VAL 498 Ca 0.01 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.64 3k1q h VAL 498 Cb 0.50 0.32 -0.08 0.00 -1.52 0.00 0.00 31.29 30.51 3k1q h VAL 498 CO 0.01 0.00 0.28 0.00 0.02 0.00 0.00 177.57 177.88 3k1q h ALA 499 N 0.34 0.93 -0.77 1.67 0.00 -0.96 -2.62 119.26 117.85 3k1q h ALA 499 Ca 0.07 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 3k1q h ALA 499 Cb 0.54 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 3k1q h ALA 499 CO -0.28 -0.16 0.47 0.66 0.00 0.00 0.00 179.25 179.93 3k1q h SER 500 N 0.47 0.93 -1.75 0.00 4.64 -0.25 -3.48 113.55 114.10 3k1q h SER 500 Ca 0.36 -0.06 -0.64 0.00 -0.47 0.00 0.00 61.79 60.98 3k1q h SER 500 Cb 0.46 -0.23 0.11 0.00 -0.31 0.00 0.00 62.40 62.43 3k1q h SER 500 CO -0.33 0.72 -0.23 0.00 -0.87 0.00 0.00 176.83 176.11 3k1q n ALA 501 N -2.34 -1.61 -1.75 5.18 0.00 0.17 -4.94 120.51 115.22 3k1q n ALA 501 Ca 0.07 0.40 -0.38 0.00 0.00 0.00 0.00 53.44 53.53 3k1q n ALA 501 Cb 0.06 -1.80 0.04 0.00 0.00 0.00 0.00 19.45 17.74 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 1.80 3.83 0.36 0.00 1.43 -1.26 -4.91 118.68 119.93 3k1q s LEU 502 Ca 0.61 2.66 0.19 0.00 -1.03 0.00 0.00 54.13 56.56 3k1q s LEU 502 Cb -0.80 -4.34 1.27 0.00 0.03 0.00 0.00 46.19 42.35 3k1q s LEU 502 CO 0.58 -1.54 1.60 0.00 0.23 0.00 0.00 176.35 177.23 3k1q h ALA 503 N 1.39 2.10 0.00 4.21 0.00 -1.92 -0.69 119.26 124.34 3k1q h ALA 503 Ca -0.51 0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.65 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 -0.85 0.00 -1.71 0.00 0.00 0.00 179.25 177.26 3k1q n ASN 504 N -5.21 0.94 -4.18 0.00 2.85 -1.26 -4.83 115.26 103.58 3k1q n ASN 504 Ca 0.36 -1.18 -0.31 0.00 -0.11 0.00 0.00 54.58 53.34 3k1q n ASN 504 Cb 1.20 -0.30 -0.17 0.00 1.24 0.00 0.00 39.78 41.76 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 0.01 2.88 0.00 1.20 -1.08 -0.27 -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 -1.32 0.00 0.00 -1.46 0.00 0.00 42.92 40.14 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 3.68 0.00 -0.36 3.66 0.00 -0.83 -1.26 120.51 125.40 3k1q n ALA 506 Ca -0.20 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.19 3k1q n ALA 506 Cb 0.53 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.95 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 -3.83 -0.53 0.16 0.00 -0.00 -1.26 -1.42 119.36 112.47 3k1q n ILE 507 Ca 0.00 2.12 0.03 0.00 -0.00 0.00 0.00 62.75 64.90 3k1q n ILE 507 Cb 0.00 -2.72 0.23 0.00 -0.00 0.00 0.00 39.64 37.15 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 1.07 -0.51 7.28 -1.51 -1.50 -2.24 116.25 118.83 3k1q h VAL 508 Ca 0.23 -1.88 -0.05 0.00 -1.23 0.00 0.00 66.70 63.77 3k1q h VAL 508 Cb 0.46 2.10 -0.02 0.00 -2.13 0.00 0.00 31.29 31.70 3k1q h VAL 508 CO -0.86 0.48 0.13 -0.07 -1.23 0.00 0.00 177.57 176.02 3k1q h LEU 509 N 0.00 0.78 0.06 4.19 3.38 -1.37 -0.61 115.31 121.74 3k1q h LEU 509 Ca -0.00 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.73 3k1q h LEU 509 Cb 1.06 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.61 3k1q h LEU 509 CO 0.06 0.80 -0.03 0.58 0.09 0.00 0.00 178.44 179.95 3k1q h VAL 510 N 0.71 1.14 -0.71 1.22 2.07 -1.24 -1.34 116.25 118.10 3k1q h VAL 510 Ca 0.16 -0.66 0.09 0.00 0.82 0.00 0.00 66.70 67.11 3k1q h VAL 510 Cb 0.33 1.57 -0.07 0.00 -1.52 0.00 0.00 31.29 31.60 3k1q h VAL 510 CO 0.00 0.17 0.36 -1.28 0.02 0.00 0.00 177.57 176.84 3k1q h SER 511 N -0.37 0.49 -0.73 0.57 0.87 -1.24 0.36 113.55 113.49 3k1q h SER 511 Ca -0.01 0.05 0.07 0.00 -1.23 0.00 0.00 61.79 60.67 3k1q h SER 511 Cb 0.33 -0.03 -0.06 0.00 -0.44 0.00 0.00 62.40 62.20 3k1q h SER 511 CO 0.01 0.29 0.41 0.78 -0.53 0.00 0.00 176.83 177.79 3k1q h ASN 512 N 0.63 0.61 -0.07 6.23 4.21 -0.03 0.63 115.58 127.79 3k1q h ASN 512 Ca 0.34 0.03 -0.00 0.00 1.21 0.00 0.00 56.30 57.88 3k1q h ASN 512 Cb 0.33 -0.09 -0.00 0.00 -1.12 0.00 0.00 38.32 37.44 3k1q h ASN 512 CO -0.25 0.39 0.03 0.45 -1.29 0.00 0.00 177.43 176.76 3k1q h HIS 513 N 0.75 0.11 -0.84 1.19 3.86 -0.54 -3.13 115.15 116.54 3k1q h HIS 513 Ca 0.33 -0.01 0.24 0.00 -1.16 0.00 0.00 60.37 59.77 3k1q h HIS 513 Cb 0.22 -0.03 -0.04 0.00 1.06 0.00 0.00 27.41 28.62 3k1q h HIS 513 CO -0.07 0.19 0.60 -0.07 0.86 0.00 0.00 177.93 179.44 3k1q h LEU 514 N -0.01 0.07 -0.56 2.43 3.38 -0.02 -1.82 115.31 118.79 3k1q h LEU 514 Ca 0.02 0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.87 3k1q h LEU 514 Cb 0.12 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3k1q h LEU 514 CO -0.00 0.02 -0.29 0.78 0.09 0.00 0.00 178.44 179.04 3k1q h ASN 515 N 0.06 0.88 -0.76 -0.43 4.21 0.29 -1.07 115.58 118.77 3k1q h ASN 515 Ca 0.41 -0.36 -0.05 0.00 1.21 0.00 0.00 56.30 57.51 3k1q h ASN 515 Cb 1.52 -0.24 -0.03 0.00 -1.12 0.00 0.00 38.32 38.45 3k1q h ASN 515 CO -0.03 1.11 0.29 0.11 -1.29 0.00 0.00 177.43 177.61 3k1q h LYS 516 N 0.71 1.15 -0.02 0.81 1.57 -1.35 -0.71 116.57 118.74 3k1q h LYS 516 Ca 0.08 -0.22 0.03 0.00 -1.87 0.00 0.00 60.65 58.67 3k1q h LYS 516 Cb 0.85 -0.18 -0.04 0.00 0.08 0.00 0.00 32.23 32.94 3k1q h LYS 516 CO 0.07 0.95 -0.17 1.25 -0.57 0.00 0.00 179.45 180.98 3k1q h LEU 517 N 1.11 -0.51 -0.88 2.94 5.85 -1.39 -1.84 115.31 120.59 3k1q h LEU 517 Ca 0.25 0.08 0.18 0.00 0.84 0.00 0.00 57.88 59.23 3k1q h LEU 517 Cb 0.24 0.22 -0.11 0.00 0.37 0.00 0.00 40.66 41.38 3k1q h LEU 517 CO -0.02 -0.24 0.43 0.00 -0.34 0.00 0.00 178.44 178.28 3k1q h ALA 518 N 0.66 1.37 -0.61 1.25 0.00 -0.71 -1.63 119.26 119.58 3k1q h ALA 518 Ca 0.06 0.12 0.06 0.00 0.00 0.00 0.00 54.91 55.15 3k1q h ALA 518 Cb 0.36 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.14 3k1q h ALA 518 CO -0.18 -0.20 0.30 -0.97 0.00 0.00 0.00 179.25 178.21 3k1q h ASN 519 N 0.53 0.42 0.08 0.00 -1.24 -0.37 0.15 115.58 115.15 3k1q h ASN 519 Ca 0.51 0.04 -0.00 0.00 0.71 0.00 0.00 56.30 57.56 3k1q h ASN 519 Cb 0.84 -0.03 0.00 0.00 0.73 0.00 0.00 38.32 39.86 3k1q h ASN 519 CO -0.43 0.27 -0.04 0.58 -1.29 0.00 0.00 177.43 176.52 3k1q h VAL 520 N 0.56 0.93 -0.45 2.57 2.07 -0.58 -2.57 116.25 118.78 3k1q h VAL 520 Ca 0.28 -0.02 -0.00 0.00 0.82 0.00 0.00 66.70 67.77 3k1q h VAL 520 Cb 0.22 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 3k1q h VAL 520 CO -0.21 0.01 0.26 0.58 0.02 0.00 0.00 177.57 178.23 3k1q h VAL 521 N -0.12 1.15 -0.44 2.57 2.07 -0.30 -1.32 116.25 119.85 3k1q h VAL 521 Ca -0.01 -0.35 -0.10 0.00 0.82 0.00 0.00 66.70 67.06 3k1q h VAL 521 Cb 0.09 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 3k1q h VAL 521 CO 0.02 0.15 -0.13 1.23 0.02 0.00 0.00 177.57 178.86 3k1q h GLY 522 N 0.59 0.87 1.79 2.17 0.00 -0.82 0.32 103.07 108.00 3k1q h GLY 522 Ca 0.16 -0.68 -0.22 0.00 0.00 0.00 0.00 47.33 46.60 3k1q h GLY 522 CO -0.03 0.62 -0.97 -0.55 0.00 0.00 0.00 176.54 175.61 3k1q h ASP 523 N 0.73 0.25 0.00 0.19 3.32 -1.42 -3.36 116.42 116.13 3k1q h ASP 523 Ca 0.12 -0.22 -0.33 0.00 0.02 0.00 0.00 57.03 56.61 3k1q h ASP 523 Cb 0.62 -0.08 -0.06 0.00 0.22 0.00 0.00 39.33 40.04 3k1q h ASP 523 CO 0.04 1.08 -2.23 0.00 -1.72 0.00 0.00 179.24 176.41 3k1q n ALA 524 N -2.46 1.53 -2.81 3.45 0.00 -0.51 -5.00 120.51 114.72 3k1q n ALA 524 Ca -0.04 -0.92 -0.36 0.00 0.00 0.00 0.00 53.44 52.13 3k1q n ALA 524 Cb 0.87 0.04 -0.08 0.00 0.00 0.00 0.00 19.45 20.28 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 -2.43 5.11 -1.43 0.00 1.09 0.11 -4.82 121.20 118.83 3k1q s ILE 525 Ca -0.29 0.07 -0.14 0.00 -1.10 0.00 0.00 60.65 59.18 3k1q s ILE 525 Cb 0.08 -3.24 0.05 0.00 -1.06 0.00 0.00 42.46 38.29 3k1q s ILE 525 CO 0.48 0.56 2.16 -0.81 -0.10 0.00 0.00 174.94 177.23 3k1q n PRO 526 N 2.56 2.94 -0.95 2.79 -0.04 -1.26 -4.40 135.00 136.64 3k1q n PRO 526 Ca -0.18 -2.73 -0.08 0.00 -0.04 0.00 0.00 63.50 60.47 3k1q n PRO 526 Cb 0.54 -3.28 0.26 0.00 -0.04 0.00 0.00 33.50 30.98 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 5.07 2.71 0.00 0.52 0.24 -1.26 -4.40 118.33 121.21 3k1q n VAL 527 Ca 0.51 -1.47 0.00 0.00 -2.04 0.00 0.00 64.34 61.33 3k1q n VAL 527 Cb 0.39 -0.42 0.00 0.00 -1.47 0.00 0.00 33.84 32.34 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 -0.22 0.00 -0.09 2.33 0.00 -1.26 -4.86 120.51 116.41 3k1q n ALA 528 Ca 0.39 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.81 3k1q n ALA 528 Cb 1.32 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.77 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 0.53 0.00 0.00 7.64 -1.26 -3.46 113.62 117.07 3k1q n SER 529 Ca 0.00 -1.82 0.00 0.00 1.01 0.00 0.00 58.87 58.06 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 3.99 0.00 -2.49 1.43 1.85 -1.26 -4.93 116.66 115.25 3k1q n ARG 530 Ca 0.05 0.00 -0.40 0.00 -1.00 0.00 0.00 57.85 56.50 3k1q n ARG 530 Cb 0.04 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.42 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 -1.98 3.78 -0.48 8.89 -4.23 -1.23 -4.95 115.64 115.44 3k1q s THR 531 Ca 0.00 -0.24 -0.29 0.00 -1.18 0.00 0.00 61.69 59.98 3k1q s THR 531 Cb 0.00 -4.87 0.03 0.00 1.34 0.00 0.00 72.50 69.00 3k1q s THR 531 CO 0.00 -1.78 1.17 -0.62 -0.54 0.00 0.00 174.62 172.85 3k1q s ASP 532 N 4.92 6.59 -0.12 3.99 2.15 -1.26 -4.52 116.67 128.41 3k1q s ASP 532 Ca 0.45 0.47 -0.02 0.00 0.43 0.00 0.00 52.55 53.88 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 0.02 -1.29 -0.04 -0.62 -0.17 0.00 0.00 175.17 173.07 3k1q s ASP 533 N 2.64 4.86 0.37 -0.34 2.15 -1.26 -5.04 116.67 120.05 3k1q s ASP 533 Ca 0.49 -0.05 0.33 0.00 0.43 0.00 0.00 52.55 53.75 3k1q s ASP 533 Cb -0.08 -1.60 1.12 0.00 -0.30 0.00 0.00 42.92 42.07 3k1q s ASP 533 CO 0.32 0.25 1.02 -1.54 -0.17 0.00 0.00 175.17 175.04 3k1q n SER 534 N 3.00 0.00 -0.37 -0.34 3.41 -1.26 -0.13 113.62 117.92 3k1q n SER 534 Ca -0.18 0.65 0.29 0.00 -0.26 0.00 0.00 58.87 59.37 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 0.64 2.32 0.00 7.33 0.00 -1.99 -2.32 119.26 125.24 3k1q h ALA 535 Ca 0.61 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.66 3k1q h ALA 535 Cb 2.47 0.16 0.00 0.00 0.00 0.00 0.00 17.79 20.42 3k1q h ALA 535 CO -0.01 -0.91 0.00 0.25 0.00 0.00 0.00 179.25 178.59 3k1q n THR 536 N -4.84 0.00 0.30 0.00 -2.24 0.81 -4.18 114.28 104.13 3k1q n THR 536 Ca 0.33 0.00 0.18 0.00 -2.27 0.00 0.00 64.05 62.29 3k1q n THR 536 Cb 1.15 -0.50 0.89 0.00 -2.10 0.00 0.00 70.33 69.76 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 -0.00 3.42 4.64 -1.62 -3.15 113.55 116.84 3k1q h SER 537 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 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 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 3k1q h ALA 538 N 2.03 0.00 -0.31 5.18 0.00 -1.86 0.15 119.26 124.45 3k1q h ALA 538 Ca 0.00 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 3k1q h ALA 538 Cb 0.21 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3k1q h ALA 538 CO 0.00 -0.39 -0.13 -0.84 0.00 0.00 0.00 179.25 177.89 3k1q h ILE 539 N -0.21 1.23 -0.22 0.00 3.07 -1.85 -2.72 117.51 116.82 3k1q h ILE 539 Ca 0.00 -1.04 -0.16 0.00 1.55 0.00 0.00 64.86 65.20 3k1q h ILE 539 Cb 0.21 1.14 -0.01 0.00 -0.27 0.00 0.00 36.82 37.90 3k1q h ILE 539 CO -0.00 0.34 -0.53 0.58 -1.05 0.00 0.00 178.15 177.49 3k1q h VAL 540 N 0.49 1.31 -0.57 0.16 2.07 -1.05 -1.35 116.25 117.30 3k1q h VAL 540 Ca 0.09 -1.76 -0.04 0.00 0.82 0.00 0.00 66.70 65.81 3k1q h VAL 540 Cb 0.51 1.71 -0.03 0.00 -1.52 0.00 0.00 31.29 31.96 3k1q h VAL 540 CO 0.03 0.55 0.20 0.28 0.02 0.00 0.00 177.57 178.65 3k1q h SER 541 N 0.49 0.78 -0.38 0.57 0.02 -0.51 0.82 113.55 115.33 3k1q h SER 541 Ca 0.01 -0.11 -0.06 0.00 -0.84 0.00 0.00 61.79 60.79 3k1q h SER 541 Cb 1.08 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.41 3k1q h SER 541 CO 0.10 0.72 0.02 -0.09 -1.14 0.00 0.00 176.83 176.45 3k1q h ARG 542 N 0.83 0.66 -0.68 3.45 9.65 -1.35 -2.81 114.38 124.14 3k1q h ARG 542 Ca 0.19 -0.20 0.01 0.00 -1.10 0.00 0.00 59.98 58.88 3k1q h ARG 542 Cb 0.21 -0.07 -0.03 0.00 -1.39 0.00 0.00 29.97 28.69 3k1q h ARG 542 CO -0.01 0.75 0.45 -0.07 2.80 0.00 0.00 179.97 183.88 3k1q h LEU 543 N 0.49 0.77 -0.99 3.80 3.38 -0.00 -1.56 115.31 121.20 3k1q h LEU 543 Ca 0.11 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3k1q h LEU 543 Cb 0.43 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 3k1q h LEU 543 CO 0.02 0.56 0.61 0.00 0.09 0.00 0.00 178.44 179.71 3k1q h ALA 544 N 1.25 1.25 0.07 1.53 0.00 0.78 -1.13 119.26 123.01 3k1q h ALA 544 Ca 0.25 -0.09 -0.25 0.00 0.00 0.00 0.00 54.91 54.83 3k1q h ALA 544 Cb -0.10 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 17.31 3k1q h ALA 544 CO -0.06 0.66 -1.09 0.28 0.00 0.00 0.00 179.25 179.04 3k1q h VAL 545 N 1.32 1.48 -0.25 0.00 2.07 -1.31 -3.15 116.25 116.41 3k1q h VAL 545 Ca 0.35 -2.85 0.02 0.00 0.82 0.00 0.00 66.70 65.04 3k1q h VAL 545 Cb -0.10 2.73 -0.01 0.00 -1.52 0.00 0.00 31.29 32.39 3k1q h VAL 545 CO -0.07 0.83 0.17 1.56 0.02 0.00 0.00 177.57 180.08 3k1q h GLN 546 N 0.12 0.27 -0.77 1.57 4.20 -0.64 -2.83 115.11 117.02 3k1q h GLN 546 Ca -0.10 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.59 3k1q h GLN 546 Cb 1.78 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 29.50 3k1q h GLN 546 CO 0.18 0.18 0.00 1.58 -0.67 0.00 0.00 178.83 180.10 3k1q n HIS 547 N -4.50 0.00 -2.13 2.96 -0.00 -0.49 -4.54 115.22 106.52 3k1q n HIS 547 Ca 0.01 -0.04 -0.42 0.00 0.46 0.00 0.00 57.72 57.73 3k1q n HIS 547 Cb 0.12 -0.09 0.00 0.00 -0.12 0.00 0.00 29.99 29.91 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 0.22 3.75 -2.65 1.57 3.00 -1.07 -4.80 118.16 118.17 3k1q n LYS 548 Ca 0.00 -3.33 -0.43 0.00 -0.00 0.00 0.00 58.31 54.55 3k1q n LYS 548 Cb 0.19 -2.90 -0.00 0.00 0.00 0.00 0.00 35.03 32.33 3k1q n LYS 548 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 3k1q s LEU 549 N -0.29 4.04 -0.12 3.14 1.02 -1.26 -4.96 118.68 120.25 3k1q s LEU 549 Ca 0.45 -2.46 -0.05 0.00 0.02 0.00 0.00 54.13 52.09 3k1q s LEU 549 Cb 0.13 -2.54 -0.04 0.00 0.02 0.00 0.00 46.19 43.75 3k1q s LEU 549 CO -0.03 -1.12 0.09 -0.55 0.02 0.00 0.00 176.35 174.75 3k1q s SER 550 N 4.03 5.92 0.00 2.29 0.15 -1.26 -3.03 113.70 121.80 3k1q s SER 550 Ca 0.51 0.31 0.00 0.00 0.70 0.00 0.00 55.95 57.47 3k1q s SER 550 Cb 0.02 -1.86 0.00 0.00 -1.71 0.00 0.00 66.02 62.47 3k1q s SER 550 CO 0.05 0.36 0.00 0.00 1.20 0.00 0.00 173.24 174.85 3k1q n GLN 551 N 2.28 3.59 -3.81 5.44 3.00 -1.26 -5.00 117.38 121.61 3k1q n GLN 551 Ca -0.19 0.00 -0.36 0.00 -0.01 0.00 0.00 57.00 56.44 3k1q n GLN 551 Cb 0.54 0.00 -0.08 0.00 0.00 0.00 0.00 30.24 30.71 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 2.88 5.37 0.00 5.09 -7.23 -1.26 -4.71 120.40 120.53 3k1q s VAL 552 Ca 0.00 0.17 0.00 0.00 -1.81 0.00 0.00 61.98 60.34 3k1q s VAL 552 Cb 0.00 -3.41 0.00 0.00 0.56 0.00 0.00 36.38 33.53 3k1q s VAL 552 CO 0.00 0.50 0.00 0.61 -0.31 0.00 0.00 175.10 175.90 3k1q n GLY 553 N 2.99 1.85 3.52 2.32 0.00 -1.26 -4.54 105.19 110.07 3k1q n GLY 553 Ca -0.17 -0.38 -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 1.16 1.61 0.74 -1.26 -5.02 119.66 120.49 3k1q s GLN 554 Ca 0.00 -1.37 -0.15 0.00 0.05 0.00 0.00 55.36 53.89 3k1q s GLN 554 Cb 0.00 -5.20 0.27 0.00 1.10 0.00 0.00 33.01 29.18 3k1q s GLN 554 CO 0.00 -2.05 1.05 0.00 -0.55 0.00 0.00 175.29 173.74 3k1q s ALA 555 N 4.13 0.08 -0.52 1.58 0.00 -1.26 -4.82 121.76 120.94 3k1q s ALA 555 Ca 0.41 -0.45 -0.39 0.00 0.00 0.00 0.00 51.96 51.53 3k1q s ALA 555 Cb -0.02 -3.10 -0.17 0.00 0.00 0.00 0.00 23.12 19.84 3k1q s ALA 555 CO -0.10 -3.61 2.23 0.45 0.00 0.00 0.00 175.76 174.74 3k1q n SER 556 N -4.76 1.15 -3.99 0.00 2.88 -1.17 -4.85 113.62 102.88 3k1q n SER 556 Ca 0.06 0.50 -0.43 0.00 -1.33 0.00 0.00 58.87 57.68 3k1q n SER 556 Cb 0.57 -1.03 0.00 0.00 -0.75 0.00 0.00 64.21 63.00 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 7.88 3.43 -3.05 -1.46 -0.04 -1.26 -4.93 135.00 135.56 3k1q n PRO 557 Ca 0.52 -3.41 -0.44 0.00 -0.04 0.00 0.00 63.50 60.12 3k1q n PRO 557 Cb 0.07 -3.04 -0.04 0.00 -0.04 0.00 0.00 33.50 30.44 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 1.27 4.69 -0.18 0.52 2.01 -1.26 -5.02 115.64 117.67 3k1q s THR 558 Ca 0.42 -0.78 -0.36 0.00 0.31 0.00 0.00 61.69 61.28 3k1q s THR 558 Cb 0.08 -4.53 -0.13 0.00 0.01 0.00 0.00 72.50 67.93 3k1q s THR 558 CO -0.01 -1.19 1.88 -2.65 -0.69 0.00 0.00 174.62 171.96 3k1q n PRO 559 N 6.68 1.75 -0.58 4.92 -0.02 -1.26 -4.60 135.00 141.89 3k1q n PRO 559 Ca -0.08 0.63 -0.21 0.00 -2.02 0.00 0.00 63.50 61.82 3k1q n PRO 559 Cb 0.43 -2.47 -0.02 0.00 -0.02 0.00 0.00 33.50 31.42 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 6.46 0.00 0.29 0.52 -0.02 -1.26 -4.68 135.00 136.31 3k1q n PRO 560 Ca 0.26 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 3k1q n PRO 560 Cb 0.24 -0.48 0.00 0.00 -0.02 0.00 0.00 33.50 33.24 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 0.72 0.00 -0.08 2.55 10.43 -1.26 -3.60 116.55 125.30 3k1q n ASP 561 Ca 0.08 0.45 -0.09 0.00 2.57 0.00 0.00 54.79 57.79 3k1q n ASP 561 Cb 0.07 0.00 0.06 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 0.92 0.00 1.24 -1.99 -1.98 -1.00 116.97 114.17 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 1.84 -0.21 0.00 0.00 2.00 0.00 0.00 36.73 40.36 3k1q h TYR 562 CO 0.00 1.00 -0.10 -1.00 -0.00 0.00 0.00 178.16 178.05 3k1q h PRO 563 N 0.67 0.00 0.00 4.88 0.13 -1.90 -3.40 132.00 132.38 3k1q h PRO 563 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 3k1q h PRO 563 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 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 -4.51 0.00 0.05 1.56 4.77 -1.22 -1.20 117.00 116.44 3k1q n LEU 564 Ca -0.01 0.94 -0.04 0.00 -0.03 0.00 0.00 56.01 56.87 3k1q n LEU 564 Cb 0.05 -0.44 0.19 0.00 -2.33 0.00 0.00 43.42 40.90 3k1q n LEU 564 CO 0.02 -0.44 0.67 -0.07 -1.33 0.00 0.00 177.39 176.25 3k1q h LEU 565 N 0.00 0.41 -0.29 2.23 4.07 -1.52 -2.57 115.31 117.64 3k1q h LEU 565 Ca 0.00 -0.16 0.05 0.00 0.08 0.00 0.00 57.88 57.86 3k1q h LEU 565 Cb 0.00 -0.11 -0.05 0.00 1.08 0.00 0.00 40.66 41.58 3k1q h LEU 565 CO 0.00 0.73 -0.02 -0.25 -1.08 0.00 0.00 178.44 177.82 3k1q h TRP 566 N 0.34 -0.06 -0.36 1.13 2.91 -1.30 0.30 115.95 118.91 3k1q h TRP 566 Ca 0.04 0.02 -0.13 0.00 1.13 0.00 0.00 58.89 59.95 3k1q h TRP 566 Cb 0.77 0.07 -0.01 0.00 -0.51 0.00 0.00 29.16 29.49 3k1q h TRP 566 CO 0.02 -0.08 -0.28 0.00 -1.03 0.00 0.00 178.44 177.08 3k1q h ARG 567 N 0.06 0.82 -0.91 2.65 3.08 -0.77 -1.29 114.38 118.01 3k1q h ARG 567 Ca 0.14 -0.41 0.10 0.00 0.07 0.00 0.00 59.98 59.89 3k1q h ARG 567 Cb 0.20 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.17 3k1q h ARG 567 CO -0.26 1.04 0.55 0.00 -1.07 0.00 0.00 179.97 180.24 3k1q h ARG 568 N 0.61 0.88 -0.11 0.04 3.08 -1.24 -1.64 114.38 116.00 3k1q h ARG 568 Ca 0.07 -0.05 -0.18 0.00 0.07 0.00 0.00 59.98 59.89 3k1q h ARG 568 Cb 0.85 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.70 3k1q h ARG 568 CO 0.07 0.58 -0.68 0.00 -1.07 0.00 0.00 179.97 178.88 3k1q h ALA 569 N 1.49 0.63 -0.05 0.04 0.00 -0.24 -1.90 119.26 119.25 3k1q h ALA 569 Ca 0.44 -0.58 0.01 0.00 0.00 0.00 0.00 54.91 54.78 3k1q h ALA 569 Cb 0.40 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3k1q h ALA 569 CO -0.25 0.74 -0.01 -0.22 0.00 0.00 0.00 179.25 179.51 3k1q h LYS 570 N 0.31 0.01 -0.71 0.00 1.63 -0.35 0.75 116.57 118.22 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 1.24 -0.00 -0.13 0.00 -0.60 0.00 0.00 32.23 32.74 3k1q h LYS 570 CO 0.12 0.00 -0.33 0.00 -3.45 0.00 0.00 179.45 175.80 3k1q h ARG 571 N 0.01 -0.10 -0.14 1.90 3.08 -1.11 0.74 114.38 118.75 3k1q h ARG 571 Ca 0.02 0.01 -0.13 0.00 0.07 0.00 0.00 59.98 59.95 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 -0.04 -0.07 -0.47 0.00 -1.07 0.00 0.00 179.97 178.32 3k1q h ALA 572 N 1.20 0.93 -0.53 0.04 0.00 -1.33 -1.16 119.26 118.41 3k1q h ALA 572 Ca 0.28 -0.46 0.10 0.00 0.00 0.00 0.00 54.91 54.83 3k1q h ALA 572 Cb 0.56 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.18 3k1q h ALA 572 CO -0.77 0.65 0.08 0.00 0.00 0.00 0.00 179.25 179.21 3k1q h ALA 573 N 1.21 0.58 0.02 0.00 0.00 -0.09 -0.11 119.26 120.87 3k1q h ALA 573 Ca 0.02 0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.07 3k1q h ALA 573 Cb 0.94 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 3k1q h ALA 573 CO 0.08 -0.33 -0.13 1.03 0.00 0.00 0.00 179.25 179.89 3k1q h SER 574 N 0.20 -0.38 -0.64 0.00 0.87 -0.74 0.15 113.55 113.02 3k1q h SER 574 Ca 0.27 0.05 0.09 0.00 -1.23 0.00 0.00 61.79 60.98 3k1q h SER 574 Cb 0.39 0.16 -0.07 0.00 -0.44 0.00 0.00 62.40 62.44 3k1q h SER 574 CO -0.38 -0.19 0.27 0.24 -0.53 0.00 0.00 176.83 176.24 3k1q h MET 575 N -0.23 0.45 -0.51 2.24 2.86 -1.05 -0.76 114.93 117.93 3k1q h MET 575 Ca 0.04 -0.03 0.08 0.00 -2.06 0.00 0.00 59.70 57.74 3k1q h MET 575 Cb 0.28 -0.10 -0.07 0.00 0.06 0.00 0.00 31.60 31.77 3k1q h MET 575 CO -0.12 0.30 0.14 0.35 1.06 0.00 0.00 176.91 178.64 3k1q h PHE 576 N 0.47 0.23 -0.12 -0.22 3.57 -0.27 -2.85 116.94 117.76 3k1q h PHE 576 Ca 0.32 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.85 3k1q h PHE 576 Cb 0.38 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.08 3k1q h PHE 576 CO -0.15 0.04 0.07 0.28 -2.23 0.00 0.00 178.31 176.32 3k1q h VAL 577 N 0.29 1.05 -0.30 1.41 2.07 -0.57 -1.59 116.25 118.60 3k1q h VAL 577 Ca 0.26 -0.11 0.08 0.00 0.82 0.00 0.00 66.70 67.74 3k1q h VAL 577 Cb 0.32 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 3k1q h VAL 577 CO -0.30 0.04 0.21 0.77 0.02 0.00 0.00 177.57 178.32 3k1q h SER 578 N 0.14 0.05 -1.60 0.57 4.64 -1.21 -3.39 113.55 112.74 3k1q h SER 578 Ca 0.04 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.24 3k1q h SER 578 Cb 0.01 -0.01 -0.27 0.00 -0.31 0.00 0.00 62.40 61.82 3k1q h SER 578 CO -0.01 0.03 -0.48 0.21 -0.87 0.00 0.00 176.83 175.72 3k1q s ASN 579 N -6.60 -0.06 0.41 4.97 3.84 -1.07 -5.06 114.94 111.35 3k1q s ASN 579 Ca -0.05 -0.04 0.18 0.00 0.21 0.00 0.00 52.86 53.16 3k1q s ASN 579 Cb 0.18 1.32 1.08 0.00 -0.55 0.00 0.00 41.25 43.29 3k1q s ASN 579 CO 0.71 -0.32 1.82 -0.65 -2.79 0.00 0.00 177.10 175.86 3k1q h PRO 580 N 8.13 0.40 -0.45 0.43 0.11 -1.50 -2.52 132.00 136.61 3k1q h PRO 580 Ca -0.12 -0.02 0.13 0.00 0.11 0.00 0.00 66.00 66.10 3k1q h PRO 580 Cb 1.14 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 3k1q h PRO 580 CO 0.25 0.27 0.33 0.66 -0.21 0.00 0.00 178.00 179.30 3k1q h SER 581 N 0.42 0.00 -0.85 -2.05 4.64 -1.93 -2.70 113.55 111.07 3k1q h SER 581 Ca 0.52 0.00 0.25 0.00 -0.47 0.00 0.00 61.79 62.09 3k1q h SER 581 Cb 1.30 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.35 3k1q h SER 581 CO -0.22 0.00 0.87 -0.07 -0.87 0.00 0.00 176.83 176.54 3k1q h LEU 582 N 0.00 0.00 -1.93 5.97 3.38 -1.79 0.05 115.31 120.99 3k1q h LEU 582 Ca 0.21 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.18 3k1q h LEU 582 Cb 0.88 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.62 3k1q h LEU 582 CO -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 178.44 178.52 3k1q h ALA 583 N 1.06 1.94 0.00 1.53 0.00 -1.72 -0.11 119.26 121.96 3k1q h ALA 583 Ca 0.41 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.29 3k1q h ALA 583 Cb 2.15 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.92 3k1q h ALA 583 CO -0.00 0.05 -1.01 1.28 0.00 0.00 0.00 179.25 179.57 3k1q n LEU 584 N -4.51 0.63 -4.60 0.00 4.77 -0.02 -4.63 117.00 108.65 3k1q n LEU 584 Ca -0.03 -0.08 -0.42 0.00 -0.03 0.00 0.00 56.01 55.46 3k1q n LEU 584 Cb 0.11 -0.10 -0.06 0.00 -2.33 0.00 0.00 43.42 41.04 3k1q n LEU 584 CO 0.34 0.08 0.46 -1.10 -1.33 0.00 0.00 177.39 175.85 3k1q s GLN 585 N -3.16 3.87 0.12 3.23 -0.21 -0.06 -4.18 119.66 119.27 3k1q s GLN 585 Ca 0.05 0.34 -0.26 0.00 0.02 0.00 0.00 55.36 55.50 3k1q s GLN 585 Cb 0.15 -3.75 -0.15 0.00 1.00 0.00 0.00 33.01 30.26 3k1q s GLN 585 CO 0.80 -0.66 0.57 1.55 -2.12 0.00 0.00 175.29 175.43 3k1q n VAL 586 N 5.51 1.21 -2.54 1.09 3.14 -0.27 -3.87 118.33 122.60 3k1q n VAL 586 Ca 0.01 -0.30 -0.02 0.00 -2.96 0.00 0.00 64.34 61.07 3k1q n VAL 586 Cb 0.48 0.00 0.01 0.00 -1.06 0.00 0.00 33.84 33.27 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 1.56 0.78 3.51 7.55 0.00 -1.26 -4.97 105.19 112.35 3k1q n GLY 587 Ca 0.16 -0.62 -0.37 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.93 4.61 0.00 -0.61 -1.09 -1.25 -5.02 121.20 114.91 3k1q s ILE 588 Ca 0.05 -0.07 0.00 0.00 -2.23 0.00 0.00 60.65 58.39 3k1q s ILE 588 Cb -0.02 -3.16 0.00 0.00 -1.58 0.00 0.00 42.46 37.70 3k1q s ILE 588 CO 0.06 0.33 0.57 -2.65 -1.23 0.00 0.00 174.94 172.02 3k1q n PRO 589 N 4.76 0.00 -0.02 2.79 -0.02 -1.26 -2.82 135.00 138.44 3k1q n PRO 589 Ca -0.16 0.57 0.06 0.00 -2.02 0.00 0.00 63.50 61.96 3k1q n PRO 589 Cb 0.52 -0.92 -0.12 0.00 -0.02 0.00 0.00 33.50 32.96 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 -2.07 0.13 0.22 -1.45 0.24 -1.26 -4.68 118.33 109.45 3k1q n VAL 590 Ca 0.00 -0.39 0.07 0.00 -2.04 0.00 0.00 64.34 61.98 3k1q n VAL 590 Cb 0.00 0.05 0.49 0.00 -1.47 0.00 0.00 33.84 32.91 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 -1.68 1.34 3.38 -1.95 -2.22 115.31 114.18 3k1q h LEU 591 Ca -0.05 0.00 0.49 0.00 0.09 0.00 0.00 57.88 58.41 3k1q h LEU 591 Cb 0.86 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.54 3k1q h LEU 591 CO 0.00 0.27 1.35 0.35 0.09 0.00 0.00 178.44 180.50 3k1q n THR 592 N -3.85 0.00 -2.83 0.22 -2.24 -1.13 -3.86 114.28 100.59 3k1q n THR 592 Ca -0.02 1.40 -0.43 0.00 -2.27 0.00 0.00 64.05 62.73 3k1q n THR 592 Cb 0.35 -2.38 -0.04 0.00 -2.10 0.00 0.00 70.33 66.17 3k1q n THR 592 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 3k1q s GLN 593 N -4.69 3.17 0.57 -0.78 -0.44 -0.84 -4.71 119.66 111.94 3k1q s GLN 593 Ca -0.04 -0.87 0.32 0.00 -2.50 0.00 0.00 55.36 52.26 3k1q s GLN 593 Cb 0.23 -4.32 1.44 0.00 -1.64 0.00 0.00 33.01 28.72 3k1q s GLN 593 CO 0.75 -1.85 1.79 0.66 0.50 0.00 0.00 175.29 177.14 3k1q h SER 594 N 9.55 0.00 -0.40 6.67 4.64 -1.87 0.20 113.55 132.33 3k1q h SER 594 Ca -0.23 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 61.17 3k1q h SER 594 Cb 1.06 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.06 3k1q h SER 594 CO 1.19 0.00 -0.23 1.23 -0.87 0.00 0.00 176.83 178.16 3k1q h GLY 595 N 0.00 0.02 2.00 -0.77 0.00 -1.92 0.27 103.07 102.68 3k1q h GLY 595 Ca 0.40 0.29 -0.02 0.00 0.00 0.00 0.00 47.33 48.00 3k1q h GLY 595 CO -0.00 -0.20 -0.09 -0.33 0.00 0.00 0.00 176.54 175.91 3k1q h MET 596 N -0.16 0.00 0.17 4.80 2.86 -0.95 0.21 114.93 121.87 3k1q h MET 596 Ca 0.19 0.00 -0.30 0.00 -2.06 0.00 0.00 59.70 57.53 3k1q h MET 596 Cb 0.46 0.00 0.02 0.00 0.06 0.00 0.00 31.60 32.13 3k1q h MET 596 CO -0.49 0.09 -1.37 1.25 1.06 0.00 0.00 176.91 177.45 3k1q h LEU 597 N 0.00 0.57 -0.63 1.22 5.85 -0.80 -1.17 115.31 120.35 3k1q h LEU 597 Ca -0.00 -0.63 0.04 0.00 0.84 0.00 0.00 57.88 58.13 3k1q h LEU 597 Cb 0.20 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.00 3k1q h LEU 597 CO 0.01 1.50 0.36 0.28 -0.34 0.00 0.00 178.44 180.25 3k1q h SER 598 N 0.10 0.56 -0.88 1.25 0.02 0.03 -0.37 113.55 114.26 3k1q h SER 598 Ca -0.19 0.02 0.04 0.00 -0.84 0.00 0.00 61.79 60.82 3k1q h SER 598 Cb 2.05 -0.09 -0.05 0.00 0.14 0.00 0.00 62.40 64.44 3k1q h SER 598 CO 0.23 0.37 0.58 0.00 -1.14 0.00 0.00 176.83 176.87 3k1q h ALA 599 N 1.31 1.47 0.13 3.77 0.00 -0.43 -0.79 119.26 124.72 3k1q h ALA 599 Ca 0.27 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 3k1q h ALA 599 Cb 0.11 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3k1q h ALA 599 CO -0.15 0.43 -0.06 1.25 0.00 0.00 0.00 179.25 180.72 3k1q h LEU 600 N 1.07 -0.15 -0.24 0.00 6.46 0.09 0.16 115.31 122.71 3k1q h LEU 600 Ca 0.36 -0.33 0.04 0.00 -0.12 0.00 0.00 57.88 57.83 3k1q h LEU 600 Cb 0.07 0.04 -0.07 0.00 -0.73 0.00 0.00 40.66 39.97 3k1q h LEU 600 CO -0.11 0.28 -0.51 0.74 -0.62 0.00 0.00 178.44 178.22 3k1q h THR 601 N -0.61 0.04 0.70 1.05 2.02 -0.61 -0.38 112.91 115.13 3k1q h THR 601 Ca -0.02 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.13 3k1q h THR 601 Cb 0.47 0.04 0.01 0.00 -1.74 0.00 0.00 68.15 66.93 3k1q h THR 601 CO 0.03 0.00 -0.34 0.77 0.37 0.00 0.00 175.52 176.35 3k1q h SER 602 N -0.49 -0.79 -0.84 4.18 4.64 -1.25 -3.33 113.55 115.67 3k1q h SER 602 Ca 0.07 0.01 0.20 0.00 -0.47 0.00 0.00 61.79 61.59 3k1q h SER 602 Cb 0.64 0.21 -0.16 0.00 -0.31 0.00 0.00 62.40 62.78 3k1q h SER 602 CO -0.49 -0.52 -0.11 0.61 -0.87 0.00 0.00 176.83 175.45 3k1q n GLY 603 N -1.29 -1.29 0.32 -0.77 0.00 0.56 -1.56 105.19 101.16 3k1q n GLY 603 Ca -0.14 0.87 0.06 0.00 0.00 0.00 0.00 46.02 46.81 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 0.82 -0.18 1.61 3.04 -1.17 -2.63 116.25 117.74 3k1q h VAL 604 Ca 0.45 -0.26 -0.01 0.00 -1.01 0.00 0.00 66.70 65.88 3k1q h VAL 604 Cb 0.81 0.00 -0.01 0.00 -2.01 0.00 0.00 31.29 30.09 3k1q h VAL 604 CO -0.83 0.14 0.09 1.23 -1.01 0.00 0.00 177.57 177.19 3k1q h GLY 605 N 0.75 0.28 0.10 3.17 0.00 -1.46 -0.45 103.07 105.47 3k1q h GLY 605 Ca 0.45 -0.13 0.13 0.00 0.00 0.00 0.00 47.33 47.78 3k1q h GLY 605 CO -0.31 0.13 0.19 -0.91 0.00 0.00 0.00 176.54 175.64 3k1q h THR 606 N 0.18 0.61 -0.68 4.70 1.35 -1.58 0.51 112.91 118.00 3k1q h THR 606 Ca 0.06 -0.11 0.09 0.00 -0.55 0.00 0.00 66.41 65.90 3k1q h THR 606 Cb 0.10 0.27 -0.04 0.00 -1.73 0.00 0.00 68.15 66.74 3k1q h THR 606 CO -0.01 0.06 0.45 0.00 -0.25 0.00 0.00 175.52 175.77 3k1q h ALA 607 N 1.53 1.86 0.27 6.62 0.00 -1.04 -1.76 119.26 126.75 3k1q h ALA 607 Ca 0.37 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 3k1q h ALA 607 Cb 0.58 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3k1q h ALA 607 CO -0.43 0.00 -0.13 -0.07 0.00 0.00 0.00 179.25 178.62 3k1q h LEU 608 N 0.59 -0.31 -0.26 0.00 3.38 -0.45 -2.70 115.31 115.57 3k1q h LEU 608 Ca 0.31 -0.13 0.02 0.00 0.09 0.00 0.00 57.88 58.17 3k1q h LEU 608 Cb 0.44 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 3k1q h LEU 608 CO -0.10 0.18 -0.15 -1.14 0.09 0.00 0.00 178.44 177.32 3k1q n ARG 609 N -5.02 -0.11 -0.55 1.13 0.63 0.11 -1.98 116.66 110.87 3k1q n ARG 609 Ca -0.06 0.79 0.05 0.00 -0.92 0.00 0.00 57.85 57.71 3k1q n ARG 609 Cb 0.21 -1.18 0.25 0.00 0.45 0.00 0.00 32.46 32.19 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 -3.50 2.39 -2.45 5.15 -2.24 -0.67 -5.03 114.28 107.93 3k1q n THR 610 Ca 0.01 -2.05 -0.41 0.00 -2.27 0.00 0.00 64.05 59.32 3k1q n THR 610 Cb 0.07 -0.28 -0.03 0.00 -2.10 0.00 0.00 70.33 67.98 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 -2.02 2.63 -0.98 3.38 0.00 -0.84 -4.99 107.32 104.50 3k1q s GLY 611 Ca 0.43 0.86 -0.19 0.00 0.00 0.00 0.00 44.72 45.82 3k1q s GLY 611 CO 0.07 1.86 1.22 -1.35 0.00 0.00 0.00 173.10 174.91 3k1q s SER 612 N 0.46 6.65 0.00 1.64 1.04 -1.26 -4.70 113.70 117.52 3k1q s SER 612 Ca 0.54 -2.04 0.00 0.00 0.48 0.00 0.00 55.95 54.93 3k1q s SER 612 Cb -0.30 -2.43 0.00 0.00 0.10 0.00 0.00 66.02 63.39 3k1q s SER 612 CO 0.33 -1.11 0.00 0.18 0.98 0.00 0.00 173.24 173.62 3k1q n LEU 613 N 6.90 0.00 -4.55 2.42 4.77 -1.26 -4.71 117.00 120.57 3k1q n LEU 613 Ca 0.27 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.88 3k1q n LEU 613 Cb 0.49 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.54 3k1q n LEU 613 CO 0.55 0.00 2.03 0.61 -1.33 0.00 0.00 177.39 179.24 3k1q n GLY 614 N 0.06 0.20 2.91 -0.72 0.00 -1.26 -4.94 105.19 101.44 3k1q n GLY 614 Ca 0.00 0.69 -0.30 0.00 0.00 0.00 0.00 46.02 46.41 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 8.19 1.79 -0.44 1.61 2.47 -1.26 -5.02 119.74 127.09 3k1q s LYS 615 Ca 1.00 -2.42 -0.42 0.00 -1.56 0.00 0.00 55.97 52.57 3k1q s LYS 615 Cb -0.25 -3.12 -0.17 0.00 -1.46 0.00 0.00 37.83 32.83 3k1q s LYS 615 CO 0.28 -1.10 2.05 0.41 0.16 0.00 0.00 175.35 177.15 3k1q n GLY 616 N 3.32 0.16 0.35 5.54 0.00 -1.26 -4.91 105.19 108.39 3k1q n GLY 616 Ca 0.05 1.04 0.10 0.00 0.00 0.00 0.00 46.02 47.21 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 6.61 0.03 -0.42 1.61 3.04 -1.98 0.58 116.25 125.71 3k1q h VAL 617 Ca -0.22 -0.00 0.05 0.00 -1.01 0.00 0.00 66.70 65.51 3k1q h VAL 617 Cb 1.38 0.02 -0.08 0.00 -2.01 0.00 0.00 31.29 30.60 3k1q h VAL 617 CO 1.05 0.00 -0.54 0.71 -1.01 0.00 0.00 177.57 177.77 3k1q h THR 618 N 0.01 0.00 -0.17 3.17 1.35 -2.01 -1.97 112.91 113.28 3k1q h THR 618 Ca 0.53 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 66.37 3k1q h THR 618 Cb 0.95 0.00 -0.01 0.00 -1.73 0.00 0.00 68.15 67.36 3k1q h THR 618 CO -0.96 0.00 0.01 -0.78 -0.25 0.00 0.00 175.52 173.54 3k1q h ASP 619 N -0.37 0.22 0.90 5.36 3.58 -1.34 -2.21 116.42 122.56 3k1q h ASP 619 Ca 0.07 -0.02 -0.04 0.00 0.42 0.00 0.00 57.03 57.46 3k1q h ASP 619 Cb 0.57 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.57 3k1q h ASP 619 CO -0.59 0.26 -0.47 0.00 -2.88 0.00 0.00 179.24 175.55 3k1q h ALA 620 N 1.78 -1.32 -0.90 -0.78 0.00 -0.38 0.20 119.26 117.86 3k1q h ALA 620 Ca 0.06 -0.27 0.21 0.00 0.00 0.00 0.00 54.91 54.91 3k1q h ALA 620 Cb 0.15 0.54 -0.12 0.00 0.00 0.00 0.00 17.79 18.36 3k1q h ALA 620 CO 0.00 -1.25 0.42 0.66 0.00 0.00 0.00 179.25 179.08 3k1q h SER 621 N -1.26 0.38 -0.41 0.00 4.64 -1.39 0.22 113.55 115.73 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 0.98 0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 63.16 3k1q h SER 621 CO 0.18 0.04 -0.11 -0.33 -0.87 0.00 0.00 176.83 175.73 3k1q h GLU 622 N 0.44 0.87 -0.31 4.77 3.07 -0.64 -1.28 114.58 121.50 3k1q h GLU 622 Ca 0.55 -0.30 -0.09 0.00 -0.50 0.00 0.00 59.36 59.02 3k1q h GLU 622 Cb 1.02 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.86 3k1q h GLU 622 CO -0.50 0.94 -0.17 -0.22 -1.40 0.00 0.00 179.01 177.66 3k1q h LYS 623 N 0.78 0.67 -0.59 2.33 3.64 -0.23 0.11 116.57 123.27 3k1q h LYS 623 Ca 0.13 -0.30 0.12 0.00 -1.27 0.00 0.00 60.65 59.33 3k1q h LYS 623 Cb 0.62 -0.01 -0.12 0.00 -0.41 0.00 0.00 32.23 32.31 3k1q h LYS 623 CO 0.04 0.89 -0.19 1.25 -2.27 0.00 0.00 179.45 179.17 3k1q h LEU 624 N 0.43 -0.69 0.54 5.20 5.85 -0.92 0.10 115.31 125.83 3k1q h LEU 624 Ca 0.07 0.19 -0.03 0.00 0.84 0.00 0.00 57.88 58.95 3k1q h LEU 624 Cb 0.70 0.42 0.01 0.00 0.37 0.00 0.00 40.66 42.16 3k1q h LEU 624 CO 0.05 -0.23 -0.26 -0.09 -0.34 0.00 0.00 178.44 177.57 3k1q h ARG 625 N -0.04 -0.70 -0.86 1.25 1.12 -0.77 -1.48 114.38 112.89 3k1q h ARG 625 Ca 0.28 0.05 0.11 0.00 -1.11 0.00 0.00 59.98 59.31 3k1q h ARG 625 Cb 0.47 0.16 -0.06 0.00 -0.01 0.00 0.00 29.97 30.53 3k1q h ARG 625 CO -0.63 -0.41 0.56 0.00 -3.11 0.00 0.00 179.97 176.38 3k1q h ALA 626 N -0.51 1.73 -0.57 2.80 0.00 -0.28 -1.42 119.26 121.01 3k1q h ALA 626 Ca -0.07 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 3k1q h ALA 626 Cb 0.62 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 3k1q h ALA 626 CO 0.12 0.07 0.18 0.00 0.00 0.00 0.00 179.25 179.62 3k1q h ARG 627 N 0.78 0.86 0.13 0.00 3.08 -0.70 -0.60 114.38 117.92 3k1q h ARG 627 Ca 0.41 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 60.30 3k1q h ARG 627 Cb 0.52 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.44 3k1q h ARG 627 CO -0.18 0.74 -0.06 1.96 -1.07 0.00 0.00 179.97 181.37 3k1q h GLN 628 N 0.84 -0.16 -0.71 0.04 4.20 -0.20 -2.00 115.11 117.12 3k1q h GLN 628 Ca 0.19 0.01 0.11 0.00 0.06 0.00 0.00 58.65 59.02 3k1q h GLN 628 Cb 0.24 0.04 -0.05 0.00 0.30 0.00 0.00 27.48 28.01 3k1q h GLN 628 CO -0.01 0.20 0.47 0.66 -0.67 0.00 0.00 178.83 179.48 3k1q h SER 629 N -0.56 0.49 0.09 1.46 4.64 -1.10 0.40 113.55 118.98 3k1q h SER 629 Ca -0.02 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3k1q h SER 629 Cb 0.44 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.43 3k1q h SER 629 CO 0.03 0.29 -0.09 0.25 -0.87 0.00 0.00 176.83 176.43 3k1q h LEU 630 N 0.54 -0.24 -0.24 5.97 5.85 -0.52 -1.92 115.31 124.74 3k1q h LEU 630 Ca 0.33 0.02 0.06 0.00 0.84 0.00 0.00 57.88 59.14 3k1q h LEU 630 Cb 0.57 0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.62 3k1q h LEU 630 CO -0.11 -0.14 -0.22 0.74 -0.34 0.00 0.00 178.44 178.36 3k1q h THR 631 N -0.21 0.43 -0.49 1.05 2.02 -1.02 -0.48 112.91 114.21 3k1q h THR 631 Ca 0.01 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.26 3k1q h THR 631 Cb 0.20 0.43 -0.09 0.00 -1.74 0.00 0.00 68.15 66.94 3k1q h THR 631 CO -0.03 0.00 -0.47 0.58 0.37 0.00 0.00 175.52 175.97 3k1q h VAL 632 N -0.23 0.07 -0.63 3.16 2.07 -0.75 0.04 116.25 119.97 3k1q h VAL 632 Ca 0.14 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.67 3k1q h VAL 632 Cb 0.44 0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.24 3k1q h VAL 632 CO -0.37 0.00 0.42 0.00 0.02 0.00 0.00 177.57 177.64 3k1q h ALA 633 N 0.37 1.58 -0.17 1.67 0.00 -1.22 -0.72 119.26 120.78 3k1q h ALA 633 Ca 0.14 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3k1q h ALA 633 Cb 0.58 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3k1q h ALA 633 CO -0.63 0.38 0.11 0.87 0.00 0.00 0.00 179.25 179.97 3k1q h LYS 634 N 0.83 0.21 -0.50 0.00 1.57 -0.03 0.12 116.57 118.77 3k1q h LYS 634 Ca 0.24 -0.01 0.08 0.00 -1.87 0.00 0.00 60.65 59.08 3k1q h LYS 634 Cb -0.05 -0.05 -0.10 0.00 0.08 0.00 0.00 32.23 32.11 3k1q h LYS 634 CO -0.06 0.14 -0.44 1.96 -0.57 0.00 0.00 179.45 180.48 3k1q h GLN 635 N 0.22 -0.27 -0.87 3.15 1.08 -0.96 0.11 115.11 117.58 3k1q h GLN 635 Ca 0.06 0.02 0.13 0.00 -1.45 0.00 0.00 58.65 57.41 3k1q h GLN 635 Cb -0.02 0.06 -0.07 0.00 -0.05 0.00 0.00 27.48 27.41 3k1q h GLN 635 CO -0.02 -0.18 0.56 0.00 -0.95 0.00 0.00 178.83 178.25 3k1q h ALA 636 N 0.49 1.80 0.06 3.87 0.00 -0.75 0.11 119.26 124.84 3k1q h ALA 636 Ca 0.15 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 3k1q h ALA 636 Cb 0.57 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3k1q h ALA 636 CO -0.64 -0.02 -0.03 0.35 0.00 0.00 0.00 179.25 178.92 3k1q h PHE 637 N 0.72 -0.08 -0.80 0.00 3.57 0.15 -1.37 116.94 119.14 3k1q h PHE 637 Ca 0.43 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 62.00 3k1q h PHE 637 Cb 0.63 0.02 -0.06 0.00 2.79 0.00 0.00 35.95 39.33 3k1q h PHE 637 CO -0.00 -0.01 0.47 0.74 -2.23 0.00 0.00 178.31 177.28 3k1q h PHE 638 N -0.12 0.86 -0.54 0.41 0.04 -0.45 -0.13 116.94 117.01 3k1q h PHE 638 Ca -0.01 0.03 0.10 0.00 2.80 0.00 0.00 57.97 60.89 3k1q h PHE 638 Cb 0.10 -0.27 -0.08 0.00 2.20 0.00 0.00 35.95 37.91 3k1q h PHE 638 CO -0.06 0.39 0.08 -0.44 -0.60 0.00 0.00 178.31 177.68 3k1q h ASP 639 N 0.82 -0.06 -0.53 2.17 3.32 -0.31 0.60 116.42 122.43 3k1q h ASP 639 Ca 0.37 0.11 0.03 0.00 0.02 0.00 0.00 57.03 57.55 3k1q h ASP 639 Cb 0.26 0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.93 3k1q h ASP 639 CO -0.21 -0.01 0.31 -0.61 -1.72 0.00 0.00 179.24 177.00 3k1q h GLN 640 N 0.21 0.59 -0.65 3.56 -0.00 -0.46 0.21 115.11 118.57 3k1q h GLN 640 Ca 0.27 -0.04 0.00 0.00 -0.00 0.00 0.00 58.65 58.89 3k1q h GLN 640 Cb 0.40 -0.13 -0.03 0.00 0.00 0.00 0.00 27.48 27.71 3k1q h GLN 640 CO -0.38 0.39 0.41 0.82 0.00 0.00 0.00 178.83 180.07 3k1q h ILE 641 N 0.61 1.18 -0.86 2.39 2.04 -0.42 -0.93 117.51 121.52 3k1q h ILE 641 Ca 0.22 -0.36 0.14 0.00 1.00 0.00 0.00 64.86 65.86 3k1q h ILE 641 Cb 0.05 0.25 -0.09 0.00 -0.74 0.00 0.00 36.82 36.29 3k1q h ILE 641 CO -0.11 0.18 0.46 1.23 0.00 0.00 0.00 178.15 179.91 3k1q h GLY 642 N 0.88 1.41 0.99 5.37 0.00 0.66 -1.15 103.07 111.24 3k1q h GLY 642 Ca 0.24 -0.27 -0.00 0.00 0.00 0.00 0.00 47.33 47.29 3k1q h GLY 642 CO -0.05 -0.02 0.30 1.48 0.00 0.00 0.00 176.54 178.26 3k1q h SER 643 N 0.66 0.60 0.83 0.19 4.64 -0.22 -1.41 113.55 118.84 3k1q h SER 643 Ca 0.47 -0.06 -0.23 0.00 -0.47 0.00 0.00 61.79 61.50 3k1q h SER 643 Cb 0.64 -0.15 -0.04 0.00 -0.31 0.00 0.00 62.40 62.54 3k1q h SER 643 CO -0.35 0.48 -1.24 -0.07 -0.87 0.00 0.00 176.83 174.78 3k1q h LEU 644 N 0.67 0.00 -6.31 5.97 3.38 -0.20 -3.39 115.31 115.43 3k1q h LEU 644 Ca 0.18 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.76 3k1q h LEU 644 Cb -0.01 0.00 -0.31 0.00 0.09 0.00 0.00 40.66 40.43 3k1q h LEU 644 CO -0.03 0.96 -0.71 0.86 0.09 0.00 0.00 178.44 179.60 3k1q s TRP 645 N -2.69 -0.18 -0.85 1.13 -0.00 -0.53 -5.05 118.94 110.77 3k1q s TRP 645 Ca -0.01 -0.99 -0.25 0.00 -0.00 0.00 0.00 56.10 54.85 3k1q s TRP 645 Cb 0.09 -0.45 -0.19 0.00 -0.00 0.00 0.00 33.47 32.92 3k1q s TRP 645 CO 0.82 -0.96 1.91 -0.35 -0.00 0.00 0.00 176.95 178.36 3k1q n PRO 646 N 4.06 0.96 -1.51 5.86 -0.04 -0.53 -4.52 135.00 139.28 3k1q n PRO 646 Ca 0.13 -1.89 -0.44 0.00 -0.04 0.00 0.00 63.50 61.26 3k1q n PRO 646 Cb 0.45 -3.36 -0.06 0.00 -0.04 0.00 0.00 33.50 30.49 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 5.41 0.39 2.61 0.55 0.00 -1.24 -4.85 105.19 108.06 3k1q n GLY 647 Ca 0.46 0.85 0.00 0.00 0.00 0.00 0.00 46.02 47.33 3k1q n GLY 647 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90