#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 3.07 -0.44 1.09 -0.85 -1.26 -5.07 117.35 113.89 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 -0.17 0.00 0.38 0.00 0.00 41.96 40.37 3k1q s TYR 11 CO 0.00 0.34 1.96 -1.71 -1.52 0.00 0.00 175.55 174.62 3k1q n ASN 12 N 2.41 1.36 0.23 -0.18 5.15 -1.26 -4.85 115.26 118.12 3k1q n ASN 12 Ca -0.18 0.81 0.09 0.00 -0.60 0.00 0.00 54.58 54.70 3k1q n ASN 12 Cb 0.53 -1.00 0.56 0.00 -0.53 0.00 0.00 39.78 39.34 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 6.27 0.76 -0.32 -1.44 3.07 -1.97 -3.35 117.51 120.54 3k1q h ILE 13 Ca -0.27 -0.89 -0.24 0.00 1.55 0.00 0.00 64.86 65.02 3k1q h ILE 13 Cb 1.37 1.54 -0.09 0.00 -0.27 0.00 0.00 36.82 39.38 3k1q h ILE 13 CO 1.03 0.21 0.02 0.35 -1.05 0.00 0.00 178.15 178.71 3k1q n THR 14 N -3.71 2.80 -4.75 0.16 -2.24 -1.26 -4.30 114.28 100.97 3k1q n THR 14 Ca -0.01 -1.63 -0.33 0.00 -2.27 0.00 0.00 64.05 59.81 3k1q n THR 14 Cb 0.33 -1.68 -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 1.31 3.03 0.05 3.38 0.00 -1.25 -4.99 107.32 108.85 3k1q s GLY 15 Ca 0.43 -0.31 0.05 0.00 0.00 0.00 0.00 44.72 44.88 3k1q s GLY 15 CO -0.05 -2.17 -0.07 0.51 0.00 0.00 0.00 173.10 171.32 3k1q s ASP 16 N -3.87 4.60 0.00 1.64 -4.77 -1.22 -3.84 116.67 109.20 3k1q s ASP 16 Ca 0.05 -0.23 0.00 0.00 -3.30 0.00 0.00 52.55 49.07 3k1q s ASP 16 Cb 0.01 -1.01 0.00 0.00 -1.09 0.00 0.00 42.92 40.83 3k1q s ASP 16 CO 0.03 0.23 0.00 0.61 0.70 0.00 0.00 175.17 176.74 3k1q n GLY 17 N 1.13 2.12 3.64 2.12 0.00 -0.92 -3.82 105.19 109.46 3k1q n GLY 17 Ca -0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.81 6.24 0.18 1.61 2.20 0.08 -4.77 114.94 118.66 3k1q s ASN 18 Ca 0.00 2.09 -0.30 0.00 -0.94 0.00 0.00 52.86 53.71 3k1q s ASN 18 Cb 0.00 -2.53 -0.08 0.00 -2.00 0.00 0.00 41.25 36.65 3k1q s ASN 18 CO 0.00 -1.31 1.02 -0.55 -2.94 0.00 0.00 177.10 173.32 3k1q s SER 19 N 5.07 7.43 -0.72 3.54 0.15 -1.26 -4.13 113.70 123.78 3k1q s SER 19 Ca 0.83 1.98 0.02 0.00 0.70 0.00 0.00 55.95 59.49 3k1q s SER 19 Cb -0.33 -2.60 0.18 0.00 -1.71 0.00 0.00 66.02 61.55 3k1q s SER 19 CO 0.34 -0.07 0.53 0.12 1.20 0.00 0.00 173.24 175.36 3k1q s PHE 20 N -0.49 3.58 -0.65 3.44 5.36 -1.26 -2.81 117.98 125.16 3k1q s PHE 20 Ca 0.46 -3.18 0.05 0.00 -0.96 0.00 0.00 56.93 53.30 3k1q s PHE 20 Cb -0.27 -2.91 0.16 0.00 -0.34 0.00 0.00 43.02 39.66 3k1q s PHE 20 CO 0.33 -0.65 0.43 0.95 -1.46 0.00 0.00 175.22 174.82 3k1q s THR 21 N -1.12 2.80 -0.20 0.12 -4.23 -0.97 -2.88 115.64 109.15 3k1q s THR 21 Ca 0.24 -4.02 -0.29 0.00 -1.18 0.00 0.00 61.69 56.43 3k1q s THR 21 Cb -0.10 -2.86 -0.02 0.00 1.34 0.00 0.00 72.50 70.85 3k1q s THR 21 CO -0.12 -0.95 1.45 -2.16 -0.54 0.00 0.00 174.62 172.30 3k1q s PRO 22 N -1.14 4.00 0.08 3.99 0.04 -1.20 -4.46 135.00 136.30 3k1q s PRO 22 Ca 0.23 1.64 0.06 0.00 0.04 0.00 0.00 61.00 62.97 3k1q s PRO 22 Cb -0.10 -3.91 -0.03 0.00 0.04 0.00 0.00 34.50 30.49 3k1q s PRO 22 CO -0.12 -1.02 -0.17 0.95 0.04 0.00 0.00 177.00 176.67 3k1q s THR 23 N 4.35 1.37 0.51 1.26 -4.23 -1.26 -1.05 115.64 116.60 3k1q s THR 23 Ca 0.63 -1.38 0.23 0.00 -1.18 0.00 0.00 61.69 59.99 3k1q s THR 23 Cb -0.23 -1.28 0.38 0.00 1.34 0.00 0.00 72.50 72.71 3k1q s THR 23 CO 0.24 -0.13 2.00 0.77 -0.54 0.00 0.00 174.62 176.95 3k1q h SER 24 N 4.26 0.07 -0.50 3.99 4.64 0.75 0.22 113.55 126.99 3k1q h SER 24 Ca -0.43 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.89 3k1q h SER 24 Cb 1.19 -0.01 -0.03 0.00 -0.31 0.00 0.00 62.40 63.24 3k1q h SER 24 CO 0.40 0.04 0.30 -0.78 -0.87 0.00 0.00 176.83 175.92 3k1q h ASP 25 N 0.08 0.62 -1.65 4.97 3.58 -1.85 -3.29 116.42 118.88 3k1q h ASP 25 Ca 0.25 -0.04 -0.63 0.00 0.42 0.00 0.00 57.03 57.03 3k1q h ASP 25 Cb 0.89 -0.16 -0.38 0.00 1.72 0.00 0.00 39.33 41.40 3k1q h ASP 25 CO -0.02 0.49 -0.31 0.23 -2.88 0.00 0.00 179.24 176.76 3k1q n MET 26 N -4.42 3.28 -2.25 0.28 2.81 0.76 -3.76 117.12 113.83 3k1q n MET 26 Ca 0.05 -4.29 -0.42 0.00 -1.81 0.00 0.00 57.70 51.22 3k1q n MET 26 Cb 0.09 -2.26 -0.03 0.00 -0.71 0.00 0.00 33.22 30.32 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 -5.40 3.70 0.00 2.03 2.01 -1.21 -4.57 115.64 112.19 3k1q s THR 27 Ca 0.49 0.64 0.00 0.00 0.31 0.00 0.00 61.69 63.13 3k1q s THR 27 Cb 0.41 -4.13 0.00 0.00 0.01 0.00 0.00 72.50 68.78 3k1q s THR 27 CO -0.24 -0.85 0.00 -1.20 -0.69 0.00 0.00 174.62 171.64 3k1q n SER 28 N 9.94 0.00 -3.64 3.53 7.64 -1.26 -4.81 113.62 125.02 3k1q n SER 28 Ca 0.17 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 60.03 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 0.29 0.00 -3.71 11.08 0.00 -1.26 -4.92 120.51 121.98 3k1q n ALA 30 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.09 3k1q n ALA 30 Cb 0.58 0.00 -0.10 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 0.03 0.00 0.00 -1.26 -5.00 121.76 117.05 3k1q s ALA 31 Ca 0.00 -3.13 -0.27 0.00 0.00 0.00 0.00 51.96 48.56 3k1q s ALA 31 Cb 0.00 -2.65 -0.17 0.00 0.00 0.00 0.00 23.12 20.30 3k1q s ALA 31 CO 0.00 -2.05 1.32 -1.35 0.00 0.00 0.00 175.76 173.67 3k1q h PRO 32 N 7.25 -0.56 -3.23 0.00 0.11 -2.05 -3.47 132.00 130.05 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 0.97 0.13 -0.17 0.00 0.11 0.00 0.00 31.00 32.04 3k1q h PRO 32 CO 0.72 -0.26 -0.23 0.00 -0.21 0.00 0.00 178.00 178.01 3k1q s ALA 33 N -5.16 -0.75 0.23 -0.75 0.00 -1.26 -5.17 121.76 108.91 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 0.30 -0.04 0.00 0.00 0.00 0.00 23.12 23.40 3k1q s ALA 33 CO 0.54 -0.40 -0.09 0.96 0.00 0.00 0.00 175.76 176.77 3k1q s ILE 34 N -2.41 3.11 -0.01 0.00 -5.25 -1.26 -5.09 121.20 110.29 3k1q s ILE 34 Ca -0.06 -1.91 -0.30 0.00 -0.99 0.00 0.00 60.65 57.39 3k1q s ILE 34 Cb -0.01 -2.60 -0.08 0.00 2.95 0.00 0.00 42.46 42.72 3k1q s ILE 34 CO -0.02 -0.26 1.89 -0.62 -1.79 0.00 0.00 174.94 174.13 3k1q s ASP 35 N -3.25 6.46 -0.32 4.36 2.15 -1.26 -4.92 116.67 119.89 3k1q s ASP 35 Ca 0.28 2.49 0.11 0.00 0.43 0.00 0.00 52.55 55.86 3k1q s ASP 35 Cb -0.07 -2.53 0.46 0.00 -0.30 0.00 0.00 42.92 40.48 3k1q s ASP 35 CO 0.17 -1.07 1.14 -0.11 -0.17 0.00 0.00 175.17 175.12 3k1q n LEU 36 N 7.66 3.90 -4.76 -1.34 7.94 -1.26 -4.98 117.00 124.15 3k1q n LEU 36 Ca 0.20 -4.41 -0.40 0.00 -1.11 0.00 0.00 56.01 50.28 3k1q n LEU 36 Cb 0.42 -0.13 -0.04 0.00 0.53 0.00 0.00 43.42 44.20 3k1q n LEU 36 CO 0.66 1.87 0.85 -0.75 -1.11 0.00 0.00 177.39 178.91 3k1q s LYS 37 N -3.59 4.55 0.18 1.96 2.20 -1.26 -4.83 119.74 118.95 3k1q s LYS 37 Ca 0.43 1.93 -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 0.08 1.65 -1.35 -0.36 0.00 0.00 175.35 175.34 3k1q h PRO 38 N 3.80 -0.02 -0.96 4.03 0.11 -2.00 0.78 132.00 137.73 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 0.67 -0.01 0.31 0.78 -0.21 0.00 0.00 178.00 179.54 3k1q h GLY 39 N -0.02 1.69 2.00 -0.55 0.00 -2.04 -0.24 103.07 103.91 3k1q h GLY 39 Ca 0.22 -0.04 -0.09 0.00 0.00 0.00 0.00 47.33 47.42 3k1q h GLY 39 CO -0.48 -0.55 -0.42 -2.08 0.00 0.00 0.00 176.54 173.01 3k1q h VAL 40 N 0.11 0.75 -0.06 4.60 2.07 -1.23 -3.28 116.25 119.21 3k1q h VAL 40 Ca 0.67 -1.95 0.02 0.00 0.82 0.00 0.00 66.70 66.26 3k1q h VAL 40 Cb 1.54 2.29 -0.00 0.00 -1.52 0.00 0.00 31.29 33.60 3k1q h VAL 40 CO -0.76 0.41 0.05 -0.07 0.02 0.00 0.00 177.57 177.23 3k1q h LEU 41 N 0.00 0.00 0.00 2.57 3.38 -0.23 -3.40 115.31 117.63 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 1.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 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 -4.21 0.00 0.00 -0.43 4.05 -1.24 -4.82 115.26 108.62 3k1q n ASN 42 Ca -0.01 0.81 0.00 0.00 0.45 0.00 0.00 54.58 55.83 3k1q n ASN 42 Cb 0.15 -0.32 0.00 0.00 1.23 0.00 0.00 39.78 40.85 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 -1.46 0.00 0.00 1.20 -0.02 -1.26 -4.54 135.00 128.92 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 -2.01 114.28 118.31 3k1q n THR 44 Ca 0.00 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.58 3k1q n THR 44 Cb 0.00 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 68.75 3k1q n THR 44 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 3k1q s GLY 45 N 0.00 1.49 0.36 1.09 0.00 -1.26 -4.75 107.32 104.25 3k1q s GLY 45 Ca 0.00 1.27 -0.25 0.00 0.00 0.00 0.00 44.72 45.74 3k1q s GLY 45 CO 0.00 2.99 1.00 1.25 0.00 0.00 0.00 173.10 178.34 3k1q s LYS 46 N 2.82 4.38 -0.14 2.90 2.47 -0.97 -1.15 119.74 130.05 3k1q s LYS 46 Ca 0.76 1.42 -0.22 0.00 -1.56 0.00 0.00 55.97 56.38 3k1q s LYS 46 Cb -0.41 -2.66 -0.03 0.00 -1.46 0.00 0.00 37.83 33.27 3k1q s LYS 46 CO 0.34 0.07 0.65 -1.17 0.16 0.00 0.00 175.35 175.40 3k1q s LEU 47 N -2.36 4.22 0.00 5.43 0.20 -1.25 -1.84 118.68 123.08 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 -0.20 -2.95 -0.00 0.00 -0.43 0.00 0.00 46.19 42.61 3k1q s LEU 47 CO 0.25 -0.20 0.01 0.79 -0.29 0.00 0.00 176.35 176.92 3k1q n TRP 48 N 4.47 0.21 -3.69 5.38 7.02 0.71 -1.96 117.44 129.59 3k1q n TRP 48 Ca -0.02 -0.57 -0.14 0.00 -1.02 0.00 0.00 57.50 55.75 3k1q n TRP 48 Cb 0.50 -0.06 -0.08 0.00 -2.42 0.00 0.00 31.31 29.25 3k1q n TRP 48 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 3k1q s ARG 49 N -2.40 0.69 -0.69 -0.99 1.81 -0.46 -0.79 118.95 116.12 3k1q s ARG 49 Ca 0.01 0.38 -0.25 0.00 -1.72 0.00 0.00 55.73 54.15 3k1q s ARG 49 Cb 0.00 0.33 -0.21 0.00 -0.45 0.00 0.00 34.95 34.62 3k1q s ARG 49 CO 0.01 -0.15 1.86 -0.35 -0.68 0.00 0.00 175.30 175.99 3k1q n PRO 50 N 2.06 1.01 0.00 3.54 -0.04 -1.26 -2.02 135.00 138.29 3k1q n PRO 50 Ca -0.17 -1.75 0.00 0.00 -0.04 0.00 0.00 63.50 61.55 3k1q n PRO 50 Cb 0.56 -3.08 0.00 0.00 -0.04 0.00 0.00 33.50 30.95 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 6.92 0.00 0.00 0.52 0.31 -0.75 -2.94 118.33 122.39 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 0.18 3.48 2.92 0.00 -1.26 -4.51 105.19 106.00 3k1q n GLY 52 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 3k1q n GLY 52 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3k1q n THR 53 N 0.00 0.00 -0.21 2.61 -2.24 -1.15 -5.05 114.28 108.24 3k1q n THR 53 Ca 0.00 -0.58 -0.07 0.00 -2.27 0.00 0.00 64.05 61.13 3k1q n THR 53 Cb 0.00 -1.30 0.07 0.00 -2.10 0.00 0.00 70.33 67.00 3k1q n THR 53 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3k1q n SER 54 N -4.59 -2.16 -4.53 3.42 3.41 -1.26 -4.74 113.62 103.15 3k1q n SER 54 Ca 0.15 -0.33 -0.42 0.00 -0.26 0.00 0.00 58.87 58.02 3k1q n SER 54 Cb 0.57 -0.23 -0.03 0.00 -0.26 0.00 0.00 64.21 64.26 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 -1.31 4.14 0.00 -3.33 1.01 -1.26 -3.49 120.40 116.16 3k1q s VAL 55 Ca 0.16 -1.08 0.00 0.00 0.00 0.00 0.00 61.98 61.06 3k1q s VAL 55 Cb -0.02 -5.00 0.00 0.00 0.00 0.00 0.00 36.38 31.35 3k1q s VAL 55 CO 0.13 -1.84 0.00 0.00 0.00 0.00 0.00 175.10 173.39 3k1q n ALA 56 N 8.25 0.35 0.46 5.51 0.00 -1.26 -5.01 120.51 128.81 3k1q n ALA 56 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.76 3k1q n ALA 56 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 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 -2.24 0.06 -0.41 0.00 -2.24 -1.23 -4.44 114.28 103.78 3k1q n THR 57 Ca 0.00 0.00 0.34 0.00 -2.27 0.00 0.00 64.05 62.12 3k1q n THR 57 Cb 0.00 -0.29 0.62 0.00 -2.10 0.00 0.00 70.33 68.56 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 0.07 0.13 -0.56 2.28 2.04 -1.88 0.17 117.51 119.74 3k1q h ILE 58 Ca 0.00 -0.04 0.16 0.00 1.00 0.00 0.00 64.86 65.99 3k1q h ILE 58 Cb 0.26 0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.33 3k1q h ILE 58 CO 0.00 0.02 0.67 -2.24 0.00 0.00 0.00 178.15 176.60 3k1q h ASP 59 N 0.11 0.00 -3.30 1.72 3.04 -1.93 -3.39 116.42 112.67 3k1q h ASP 59 Ca 0.81 0.00 -0.54 0.00 -3.24 0.00 0.00 57.03 54.06 3k1q h ASP 59 Cb 2.41 0.00 -0.35 0.00 -1.04 0.00 0.00 39.33 40.35 3k1q h ASP 59 CO -0.49 0.00 -0.82 -0.44 -2.04 0.00 0.00 179.24 175.45 3k1q s SER 60 N -4.68 2.12 -0.03 4.15 0.01 0.05 -5.10 113.70 110.21 3k1q s SER 60 Ca -0.04 -0.35 0.05 0.00 1.31 0.00 0.00 55.95 56.93 3k1q s SER 60 Cb 0.15 -0.92 -0.01 0.00 0.21 0.00 0.00 66.02 65.44 3k1q s SER 60 CO 0.50 -0.02 -0.18 -0.76 0.41 0.00 0.00 173.24 173.20 3k1q s LEU 61 N 1.08 1.98 -0.16 2.44 1.43 -1.26 -1.81 118.68 122.39 3k1q s LEU 61 Ca -0.06 -0.34 -0.05 0.00 -1.03 0.00 0.00 54.13 52.64 3k1q s LEU 61 Cb -0.15 -0.97 -0.03 0.00 0.03 0.00 0.00 46.19 45.08 3k1q s LEU 61 CO -0.02 0.19 0.02 0.00 0.23 0.00 0.00 176.35 176.77 3k1q s ALA 62 N -0.21 3.24 0.32 4.21 0.00 -0.86 -4.88 121.76 123.59 3k1q s ALA 62 Ca 0.02 -0.78 -0.29 0.00 0.00 0.00 0.00 51.96 50.91 3k1q s ALA 62 Cb -0.09 -1.72 -0.11 0.00 0.00 0.00 0.00 23.12 21.20 3k1q s ALA 62 CO 0.01 0.26 1.55 0.96 0.00 0.00 0.00 175.76 178.54 3k1q s ILE 63 N 0.16 2.08 1.20 0.00 -5.25 -1.26 -1.35 121.20 116.78 3k1q s ILE 63 Ca 0.02 0.07 -0.18 0.00 -0.99 0.00 0.00 60.65 59.57 3k1q s ILE 63 Cb -0.13 -3.05 0.25 0.00 2.95 0.00 0.00 42.46 42.48 3k1q s ILE 63 CO 0.02 0.01 0.53 1.33 -1.79 0.00 0.00 174.94 175.03 3k1q n VAL 64 N 1.63 0.00 -2.51 8.37 0.24 -0.83 -4.74 118.33 120.50 3k1q n VAL 64 Ca 0.06 -0.11 -0.41 0.00 -2.04 0.00 0.00 64.34 61.84 3k1q n VAL 64 Cb 0.38 -0.72 -0.01 0.00 -1.47 0.00 0.00 33.84 32.02 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 -2.36 6.54 0.45 -1.34 0.15 -0.79 -4.72 113.70 111.64 3k1q s SER 65 Ca 0.52 -2.14 0.17 0.00 0.70 0.00 0.00 55.95 55.20 3k1q s SER 65 Cb -0.11 -2.58 1.07 0.00 -1.71 0.00 0.00 66.02 62.69 3k1q s SER 65 CO 0.49 -1.48 1.99 -2.24 1.20 0.00 0.00 173.24 173.20 3k1q h ASP 66 N 8.29 0.00 -0.40 5.45 -0.00 -1.60 0.12 116.42 128.29 3k1q h ASP 66 Ca 0.37 0.00 0.07 0.00 -0.00 0.00 0.00 57.03 57.47 3k1q h ASP 66 Cb 0.91 0.00 -0.07 0.00 -0.00 0.00 0.00 39.33 40.16 3k1q h ASP 66 CO 1.42 0.19 -0.12 0.54 -0.00 0.00 0.00 179.24 181.27 3k1q n ARG 67 N -4.15 -0.06 0.00 4.15 1.74 -1.26 -3.78 116.66 113.30 3k1q n ARG 67 Ca -0.02 0.62 0.00 0.00 -0.77 0.00 0.00 57.85 57.68 3k1q n ARG 67 Cb 0.26 -0.92 0.00 0.00 -1.02 0.00 0.00 32.46 30.78 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 -4.63 0.00 0.00 -1.55 1.16 -1.08 -5.12 117.46 106.25 3k1q n PHE 68 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.64 3k1q n PHE 68 Cb 0.19 0.10 0.00 0.00 -1.61 0.00 0.00 39.48 38.15 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 1.76 0.00 4.97 0.00 0.41 -4.90 105.19 107.43 3k1q n GLY 69 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.26 1.61 3.00 -1.17 -3.66 117.38 116.90 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 -0.37 -1.15 1.08 4.01 -1.26 -1.88 117.16 117.59 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 -0.43 -0.63 -4.57 7.72 7.64 -1.26 -3.92 113.62 118.16 3k1q n SER 72 Ca 0.00 0.55 -0.52 0.00 1.01 0.00 0.00 58.87 59.91 3k1q n SER 72 Cb 0.00 -1.31 -0.07 0.00 -1.01 0.00 0.00 64.21 61.83 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 -2.84 1.88 -1.86 1.43 7.35 -0.30 -3.52 117.46 119.60 3k1q n PHE 73 Ca 0.11 0.30 -0.40 0.00 -0.76 0.00 0.00 57.45 56.70 3k1q n PHE 73 Cb 0.51 -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 5.54 2.20 -0.64 -2.13 1.01 0.22 -3.30 120.40 123.31 3k1q s VAL 74 Ca 1.03 0.18 -0.26 0.00 0.00 0.00 0.00 61.98 62.94 3k1q s VAL 74 Cb -0.90 -3.11 -0.07 0.00 0.00 0.00 0.00 36.38 32.30 3k1q s VAL 74 CO 0.55 0.03 2.22 0.21 0.00 0.00 0.00 175.10 178.11 3k1q s ASN 75 N -0.48 4.60 0.15 3.32 3.84 -0.85 -4.65 114.94 120.87 3k1q s ASN 75 Ca 0.58 0.46 -0.01 0.00 0.21 0.00 0.00 52.86 54.10 3k1q s ASN 75 Cb -0.43 -2.53 0.33 0.00 -0.55 0.00 0.00 41.25 38.07 3k1q s ASN 75 CO 0.56 -2.96 0.79 1.21 -2.79 0.00 0.00 177.10 173.91 3k1q n GLU 76 N 9.00 -0.04 -0.05 0.43 2.13 -1.26 -0.73 120.64 130.11 3k1q n GLU 76 Ca 0.35 0.77 -0.15 0.00 0.66 0.00 0.00 57.16 58.79 3k1q n GLU 76 Cb 0.51 -1.19 -0.06 0.00 0.27 0.00 0.00 31.44 30.96 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 0.70 1.03 8.31 0.00 -1.94 -1.94 103.07 109.24 3k1q h GLY 77 Ca 0.28 -0.87 -0.08 0.00 0.00 0.00 0.00 47.33 46.66 3k1q h GLY 77 CO -0.49 0.78 0.03 1.98 0.00 0.00 0.00 176.54 178.84 3k1q h MET 78 N 0.32 0.95 -0.36 4.80 1.85 -1.79 0.34 114.93 121.05 3k1q h MET 78 Ca -0.00 -0.28 0.07 0.00 -0.61 0.00 0.00 59.70 58.87 3k1q h MET 78 Cb 1.07 -0.09 -0.07 0.00 0.43 0.00 0.00 31.60 32.94 3k1q h MET 78 CO 0.10 0.94 -0.08 0.07 -0.40 0.00 0.00 176.91 177.54 3k1q h ARG 79 N 0.83 0.01 -0.11 0.39 0.11 -0.82 0.18 114.38 114.97 3k1q h ARG 79 Ca 0.16 -0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.24 3k1q h ARG 79 Cb 0.49 -0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.56 3k1q h ARG 79 CO 0.02 0.01 0.06 0.93 0.10 0.00 0.00 179.97 181.09 3k1q h GLU 80 N 0.01 0.15 0.29 0.08 5.08 -0.92 -1.63 114.58 117.64 3k1q h GLU 80 Ca 0.17 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 3k1q h GLU 80 Cb 0.26 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 3k1q h GLU 80 CO -0.36 0.18 -0.43 1.79 -1.00 0.00 0.00 179.01 179.19 3k1q h THR 81 N 0.08 0.14 -0.91 1.13 1.35 -0.22 -2.91 112.91 111.58 3k1q h THR 81 Ca 0.04 0.00 0.13 0.00 -0.55 0.00 0.00 66.41 66.03 3k1q h THR 81 Cb 0.07 0.14 -0.09 0.00 -1.73 0.00 0.00 68.15 66.55 3k1q h THR 81 CO -0.01 0.00 0.53 -0.26 -0.25 0.00 0.00 175.52 175.53 3k1q h PHE 82 N -0.78 0.95 -0.85 4.73 0.04 -0.62 -1.83 116.94 118.59 3k1q h PHE 82 Ca -0.01 0.03 0.02 0.00 2.80 0.00 0.00 57.97 60.81 3k1q h PHE 82 Cb 0.73 -0.29 -0.05 0.00 2.20 0.00 0.00 35.95 38.55 3k1q h PHE 82 CO -0.30 0.31 0.55 1.03 -0.60 0.00 0.00 178.31 179.31 3k1q h SER 83 N 0.80 0.93 -0.71 2.17 0.87 -1.32 -1.87 113.55 114.42 3k1q h SER 83 Ca 0.47 -0.01 0.01 0.00 -1.23 0.00 0.00 61.79 61.03 3k1q h SER 83 Cb 0.56 -0.22 -0.04 0.00 -0.44 0.00 0.00 62.40 62.26 3k1q h SER 83 CO -0.31 0.66 0.47 0.11 -0.53 0.00 0.00 176.83 177.23 3k1q h LYS 84 N 1.10 0.92 -0.40 2.24 1.79 -1.15 -2.75 116.57 118.31 3k1q h LYS 84 Ca 0.32 -0.06 0.06 0.00 -2.18 0.00 0.00 60.65 58.80 3k1q h LYS 84 Cb -0.06 -0.21 -0.05 0.00 -1.58 0.00 0.00 32.23 30.33 3k1q h LYS 84 CO -0.09 0.61 0.08 0.00 -1.08 0.00 0.00 179.45 178.96 3k1q h ALA 85 N 1.27 0.43 -0.40 3.86 0.00 -1.09 -1.74 119.26 121.59 3k1q h ALA 85 Ca 0.27 0.08 0.09 0.00 0.00 0.00 0.00 54.91 55.35 3k1q h ALA 85 Cb -0.08 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3k1q h ALA 85 CO -0.07 -0.33 0.28 1.25 0.00 0.00 0.00 179.25 180.39 3k1q h LEU 86 N 0.20 0.14 -0.92 0.00 5.85 -1.06 -2.69 115.31 116.83 3k1q h LEU 86 Ca 0.19 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.83 3k1q h LEU 86 Cb 0.24 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 3k1q h LEU 86 CO -0.26 0.09 -0.14 -0.26 -0.34 0.00 0.00 178.44 177.53 3k1q h PHE 87 N 0.15 0.70 -0.92 1.25 0.05 -1.10 -2.37 116.94 114.71 3k1q h PHE 87 Ca 0.19 -0.12 0.15 0.00 3.82 0.00 0.00 57.97 62.00 3k1q h PHE 87 Cb 0.54 -0.18 -0.15 0.00 2.00 0.00 0.00 35.95 38.16 3k1q h PHE 87 CO -0.00 0.74 -0.36 -0.44 -0.18 0.00 0.00 178.31 178.07 3k1q h ASP 88 N 0.58 -1.33 -0.73 2.17 3.32 -1.30 -1.55 116.42 117.58 3k1q h ASP 88 Ca 0.10 0.29 -0.04 0.00 0.02 0.00 0.00 57.03 57.41 3k1q h ASP 88 Cb 0.57 0.71 -0.03 0.00 0.22 0.00 0.00 39.33 40.79 3k1q h ASP 88 CO 0.04 -0.29 0.32 0.40 -1.72 0.00 0.00 179.24 177.98 3k1q h ILE 89 N -0.03 1.24 -0.27 0.35 1.08 -1.52 -2.38 117.51 115.98 3k1q h ILE 89 Ca 0.34 -0.73 0.06 0.00 -0.39 0.00 0.00 64.86 64.13 3k1q h ILE 89 Cb 0.60 0.33 -0.01 0.00 -3.07 0.00 0.00 36.82 34.66 3k1q h ILE 89 CO -0.93 0.30 0.19 0.78 -0.69 0.00 0.00 178.15 177.80 3k1q h ASN 90 N 1.07 0.10 -0.09 1.72 -0.26 -1.16 -0.12 115.58 116.83 3k1q h ASN 90 Ca 0.25 -0.00 0.02 0.00 -0.56 0.00 0.00 56.30 56.02 3k1q h ASN 90 Cb 0.16 -0.02 -0.00 0.00 -1.06 0.00 0.00 38.32 37.40 3k1q h ASN 90 CO -0.03 0.06 0.09 0.24 -1.06 0.00 0.00 177.43 176.73 3k1q h MET 91 N 0.11 0.00 -0.34 0.81 2.86 -0.74 -1.05 114.93 116.58 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 0.35 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.01 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 -3.98 0.91 -0.26 -0.22 8.01 -0.07 -4.77 117.44 117.06 3k1q n TRP 92 Ca -0.01 -0.73 0.06 0.00 -1.31 0.00 0.00 57.50 55.52 3k1q n TRP 92 Cb 0.19 -0.23 0.19 0.00 -2.01 0.00 0.00 31.31 29.44 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 2.20 0.20 -0.19 -0.99 4.15 -1.06 0.62 115.11 120.04 3k1q h GLN 93 Ca 0.00 -0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.42 3k1q h GLN 93 Cb 1.26 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.89 3k1q h GLN 93 CO 0.17 0.13 0.13 -1.00 -1.93 0.00 0.00 178.83 176.33 3k1q h PRO 94 N 0.20 0.21 0.03 -2.39 0.13 -1.89 -0.04 132.00 128.26 3k1q h PRO 94 Ca 0.43 -0.01 -0.09 0.00 -0.87 0.00 0.00 66.00 65.46 3k1q h PRO 94 Cb 0.77 -0.05 0.01 0.00 0.13 0.00 0.00 31.00 31.86 3k1q h PRO 94 CO -0.58 0.14 -0.37 1.25 -0.23 0.00 0.00 178.00 178.20 3k1q h LEU 95 N 0.21 0.27 -0.51 1.56 5.85 -1.33 -1.05 115.31 120.30 3k1q h LEU 95 Ca 0.07 -0.86 0.10 0.00 0.84 0.00 0.00 57.88 58.03 3k1q h LEU 95 Cb 0.04 -0.08 -0.10 0.00 0.37 0.00 0.00 40.66 40.88 3k1q h LEU 95 CO -0.01 1.11 -0.18 -0.26 -0.34 0.00 0.00 178.44 178.75 3k1q h PHE 96 N -0.53 -0.44 -0.71 1.25 -1.00 -0.66 -0.18 116.94 114.68 3k1q h PHE 96 Ca -0.06 0.05 0.08 0.00 2.81 0.00 0.00 57.97 60.86 3k1q h PHE 96 Cb 1.19 0.27 -0.07 0.00 3.61 0.00 0.00 35.95 40.96 3k1q h PHE 96 CO 0.20 -0.27 0.38 1.96 -1.61 0.00 0.00 178.31 178.96 3k1q h GLN 97 N -0.06 0.64 -0.20 1.51 4.20 -0.90 -2.45 115.11 117.85 3k1q h GLN 97 Ca 0.24 -0.04 -0.10 0.00 0.06 0.00 0.00 58.65 58.81 3k1q h GLN 97 Cb 0.44 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 3k1q h GLN 97 CO -0.56 0.42 -0.32 0.00 -0.67 0.00 0.00 178.83 177.70 3k1q h ALA 98 N 1.41 1.08 0.00 3.87 0.00 -0.22 0.26 119.26 125.66 3k1q h ALA 98 Ca 0.34 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3k1q h ALA 98 Cb 0.31 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3k1q h ALA 98 CO -0.24 0.57 0.00 0.25 0.00 0.00 0.00 179.25 179.84 3k1q n THR 99 N -4.08 0.11 -2.74 0.00 -2.24 -0.17 -4.94 114.28 100.23 3k1q n THR 99 Ca -0.01 0.03 -0.12 0.00 -2.27 0.00 0.00 64.05 61.68 3k1q n THR 99 Cb 0.44 -0.66 -0.01 0.00 -2.10 0.00 0.00 70.33 68.00 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 -1.11 -2.65 -1.92 -0.78 4.01 0.93 -4.88 118.16 111.75 3k1q n LYS 100 Ca 0.15 0.35 -0.39 0.00 -0.51 0.00 0.00 58.31 57.91 3k1q n LYS 100 Cb 0.12 -4.93 0.03 0.00 -0.51 0.00 0.00 35.03 29.73 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 -3.22 3.71 -2.47 -0.18 -2.24 -1.01 -4.75 114.28 104.11 3k1q n THR 101 Ca -0.06 -4.29 -0.20 0.00 -2.27 0.00 0.00 64.05 57.24 3k1q n THR 101 Cb 0.55 -1.28 -0.01 0.00 -2.10 0.00 0.00 70.33 67.49 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 0.52 3.38 0.00 -1.26 -4.88 105.19 102.05 3k1q n GLY 102 Ca 0.53 0.01 0.38 0.00 0.00 0.00 0.00 46.02 46.94 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 -1.65 -0.44 3.43 0.00 0.00 -1.26 -4.71 105.19 100.56 3k1q n GLY 104 Ca 0.35 1.06 -0.48 0.00 0.00 0.00 0.00 46.02 46.95 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 7.79 0.54 -0.20 1.61 -0.04 -1.26 -4.82 135.00 138.62 3k1q n PRO 105 Ca 0.60 0.11 0.11 0.00 -0.04 0.00 0.00 63.50 64.28 3k1q n PRO 105 Cb 0.03 -2.13 0.21 0.00 -0.04 0.00 0.00 33.50 31.57 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 7.24 -0.25 -3.18 0.52 5.41 -1.26 -4.90 119.36 122.93 3k1q n ILE 106 Ca 0.50 1.28 -0.11 0.00 1.00 0.00 0.00 62.75 65.43 3k1q n ILE 106 Cb 0.16 -1.92 0.01 0.00 -0.71 0.00 0.00 39.64 37.18 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 -4.67 -8.53 -0.37 1.39 0.24 -1.26 -4.83 118.33 100.29 3k1q n VAL 107 Ca 0.16 0.15 0.32 0.00 -2.04 0.00 0.00 64.34 62.93 3k1q n VAL 107 Cb 0.52 -5.95 0.59 0.00 -1.47 0.00 0.00 33.84 27.52 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 0.94 0.34 -1.63 1.34 5.85 -1.98 0.61 115.31 120.77 3k1q h LEU 108 Ca -0.18 0.20 0.32 0.00 0.84 0.00 0.00 57.88 59.07 3k1q h LEU 108 Cb 1.12 0.19 -0.08 0.00 0.37 0.00 0.00 40.66 42.26 3k1q h LEU 108 CO 0.28 -0.28 0.78 0.77 -0.34 0.00 0.00 178.44 179.65 3k1q h SER 109 N 0.10 0.24 0.26 1.25 4.64 -1.93 0.22 113.55 118.33 3k1q h SER 109 Ca 0.82 0.06 -0.08 0.00 -0.47 0.00 0.00 61.79 62.11 3k1q h SER 109 Cb 2.25 0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 64.35 3k1q h SER 109 CO -0.61 0.02 -0.33 0.28 -0.87 0.00 0.00 176.83 175.32 3k1q h SER 110 N 0.19 0.11 0.11 4.97 0.02 -1.19 -3.03 113.55 114.73 3k1q h SER 110 Ca 0.62 -0.04 -0.22 0.00 -0.84 0.00 0.00 61.79 61.31 3k1q h SER 110 Cb 1.99 -0.03 0.01 0.00 0.14 0.00 0.00 62.40 64.50 3k1q h SER 110 CO -0.19 0.44 -0.84 -0.26 -1.14 0.00 0.00 176.83 174.85 3k1q h PHE 111 N 0.10 0.80 -0.21 3.45 -1.00 -0.73 -3.39 116.94 115.97 3k1q h PHE 111 Ca 0.01 -0.38 -0.18 0.00 2.81 0.00 0.00 57.97 60.23 3k1q h PHE 111 Cb 0.64 -0.11 -0.00 0.00 3.61 0.00 0.00 35.95 40.09 3k1q h PHE 111 CO 0.00 1.19 0.56 0.25 -1.61 0.00 0.00 178.31 178.70 3k1q n THR 112 N -3.85 0.75 -3.85 -1.55 -2.24 -1.15 -4.57 114.28 97.82 3k1q n THR 112 Ca -0.07 -0.77 -0.28 0.00 -2.27 0.00 0.00 64.05 60.66 3k1q n THR 112 Cb 0.77 -2.07 -0.03 0.00 -2.10 0.00 0.00 70.33 66.90 3k1q n THR 112 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3k1q s THR 113 N 14.10 5.30 0.17 4.28 -4.23 -0.19 -4.79 115.64 130.28 3k1q s THR 113 Ca 0.75 -0.46 -0.32 0.00 -1.18 0.00 0.00 61.69 60.49 3k1q s THR 113 Cb -0.01 -3.70 -0.10 0.00 1.34 0.00 0.00 72.50 70.02 3k1q s THR 113 CO 0.18 -0.04 1.59 0.42 -0.54 0.00 0.00 174.62 176.23 3k1q s THR 114 N -1.70 2.53 -0.11 3.99 -4.23 -1.26 -0.41 115.64 114.45 3k1q s THR 114 Ca 0.36 0.38 0.03 0.00 -1.18 0.00 0.00 61.69 61.28 3k1q s THR 114 Cb -0.12 -3.24 -0.00 0.00 1.34 0.00 0.00 72.50 70.48 3k1q s THR 114 CO 0.28 0.03 -0.21 0.28 -0.54 0.00 0.00 174.62 174.46 3k1q s THR 115 N 1.14 2.32 -0.13 3.99 -1.32 -0.32 -4.73 115.64 116.59 3k1q s THR 115 Ca 0.71 -0.93 -0.04 0.00 -1.21 0.00 0.00 61.69 60.22 3k1q s THR 115 Cb -0.45 -1.91 0.05 0.00 -1.51 0.00 0.00 72.50 68.69 3k1q s THR 115 CO 0.31 0.55 0.07 -0.55 -2.21 0.00 0.00 174.62 172.80 3k1q s SER 116 N 0.31 2.02 0.00 8.08 0.15 -1.26 -1.33 113.70 121.67 3k1q s SER 116 Ca -0.16 -0.41 0.00 0.00 0.70 0.00 0.00 55.95 56.08 3k1q s SER 116 Cb -0.17 -0.26 0.00 0.00 -1.71 0.00 0.00 66.02 63.88 3k1q s SER 116 CO 0.08 -0.31 0.00 0.61 1.20 0.00 0.00 173.24 174.82 3k1q n GLY 117 N 5.26 -0.43 3.79 9.45 0.00 -1.21 -4.82 105.19 117.22 3k1q n GLY 117 Ca -0.06 -0.35 -0.39 0.00 0.00 0.00 0.00 46.02 45.22 3k1q n GLY 117 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3k1q s TYR 118 N -2.09 3.75 -0.31 1.61 1.51 0.03 0.12 117.35 121.96 3k1q s TYR 118 Ca 0.00 1.21 -0.04 0.00 -1.01 0.00 0.00 57.07 57.22 3k1q s TYR 118 Cb 0.00 -2.52 0.04 0.00 -0.11 0.00 0.00 41.96 39.37 3k1q s TYR 118 CO 0.00 0.50 0.05 0.08 -1.11 0.00 0.00 175.55 175.07 3k1q s VAL 119 N -0.72 3.46 -0.20 0.71 1.01 0.61 -0.21 120.40 125.06 3k1q s VAL 119 Ca 0.29 -1.17 -0.30 0.00 0.00 0.00 0.00 61.98 60.79 3k1q s VAL 119 Cb -0.19 -2.94 0.15 0.00 0.00 0.00 0.00 36.38 33.41 3k1q s VAL 119 CO 0.17 -0.10 1.15 -0.83 0.00 0.00 0.00 175.10 175.49 3k1q s GLY 120 N 1.35 -0.15 0.17 4.51 0.00 -0.77 -4.28 107.32 108.15 3k1q s GLY 120 Ca -0.02 2.22 -0.20 0.00 0.00 0.00 0.00 44.72 46.72 3k1q s GLY 120 CO 0.01 0.97 1.62 0.00 0.00 0.00 0.00 173.10 175.70 3k1q h ALA 121 N 2.29 0.04 -3.07 3.20 0.00 -1.89 -2.57 119.26 117.26 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 1.17 0.54 -0.14 0.00 0.00 0.00 0.00 17.79 19.37 3k1q h ALA 121 CO 0.27 -0.60 -0.72 0.95 0.00 0.00 0.00 179.25 179.15 3k1q s THR 122 N -6.11 3.30 0.19 0.00 -4.23 -1.26 -4.75 115.64 102.78 3k1q s THR 122 Ca -0.14 -1.56 -0.23 0.00 -1.18 0.00 0.00 61.69 58.58 3k1q s THR 122 Cb 0.15 -2.62 0.10 0.00 1.34 0.00 0.00 72.50 71.47 3k1q s THR 122 CO 0.70 -0.07 1.56 0.00 -0.54 0.00 0.00 174.62 176.26 3k1q h ALA 123 N 2.99 -0.15 -0.07 3.99 0.00 -1.92 0.24 119.26 124.34 3k1q h ALA 123 Ca -0.47 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3k1q h ALA 123 Cb 1.20 1.00 0.00 0.00 0.00 0.00 0.00 17.79 19.99 3k1q h ALA 123 CO 0.54 -0.76 0.00 0.41 0.00 0.00 0.00 179.25 179.45 3k1q n GLY 124 N -1.41 -0.09 0.34 0.00 0.00 -1.26 -0.41 105.19 102.36 3k1q n GLY 124 Ca 0.05 0.02 0.01 0.00 0.00 0.00 0.00 46.02 46.10 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 0.80 0.44 1.61 3.04 -1.83 -3.06 116.42 117.42 3k1q h ASP 125 Ca 0.00 -0.03 -0.07 0.00 -3.24 0.00 0.00 57.03 53.69 3k1q h ASP 125 Cb 0.00 -0.20 -0.01 0.00 -1.04 0.00 0.00 39.33 38.08 3k1q h ASP 125 CO 0.00 0.59 -0.33 0.00 -2.04 0.00 0.00 179.24 177.47 3k1q h ALA 126 N 1.55 1.32 -0.99 4.15 0.00 0.59 -2.43 119.26 123.44 3k1q h ALA 126 Ca 0.25 -0.30 0.20 0.00 0.00 0.00 0.00 54.91 55.06 3k1q h ALA 126 Cb -0.09 -0.05 -0.10 0.00 0.00 0.00 0.00 17.79 17.55 3k1q h ALA 126 CO -0.05 0.41 0.62 -0.07 0.00 0.00 0.00 179.25 180.15 3k1q h LEU 127 N 0.00 0.69 -0.75 0.00 3.38 -0.62 -1.72 115.31 116.30 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 0.63 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 3k1q h LEU 127 CO 0.04 0.24 -0.36 0.44 0.09 0.00 0.00 178.44 178.89 3k1q h ASP 128 N 0.67 0.00 -3.73 -0.43 5.19 -1.60 -3.44 116.42 113.08 3k1q h ASP 128 Ca 0.56 0.00 -0.66 0.00 -0.62 0.00 0.00 57.03 56.31 3k1q h ASP 128 Cb 1.00 0.00 -0.37 0.00 0.18 0.00 0.00 39.33 40.14 3k1q h ASP 128 CO -0.34 0.36 -0.81 0.21 -3.12 0.00 0.00 179.24 175.55 3k1q s ASN 129 N -6.37 4.18 -0.10 6.45 2.47 -0.65 -5.10 114.94 115.82 3k1q s ASN 129 Ca 0.01 -1.26 0.01 0.00 0.42 0.00 0.00 52.86 52.04 3k1q s ASN 129 Cb 0.10 -1.48 -0.02 0.00 -1.45 0.00 0.00 41.25 38.39 3k1q s ASN 129 CO 0.69 -0.17 -0.12 -2.16 -3.72 0.00 0.00 177.10 171.61 3k1q s PRO 130 N 1.17 3.05 -0.38 0.43 0.04 -1.26 -0.28 135.00 137.77 3k1q s PRO 130 Ca -0.07 -0.67 0.03 0.00 0.04 0.00 0.00 61.00 60.34 3k1q s PRO 130 Cb -0.19 -2.56 0.11 0.00 0.04 0.00 0.00 34.50 31.90 3k1q s PRO 130 CO -0.06 0.39 0.11 0.08 0.04 0.00 0.00 177.00 177.56 3k1q s VAL 131 N -0.11 2.13 0.09 -0.36 1.01 0.33 -4.90 120.40 118.58 3k1q s VAL 131 Ca -0.01 -2.44 -0.30 0.00 0.00 0.00 0.00 61.98 59.23 3k1q s VAL 131 Cb -0.14 -2.55 -0.06 0.00 0.00 0.00 0.00 36.38 33.63 3k1q s VAL 131 CO 0.03 -0.66 1.12 0.42 0.00 0.00 0.00 175.10 176.01 3k1q s THR 132 N 0.72 4.13 -1.01 3.92 -4.23 -1.26 -3.30 115.64 114.61 3k1q s THR 132 Ca 0.12 1.63 -0.16 0.00 -1.18 0.00 0.00 61.69 62.10 3k1q s THR 132 Cb -0.20 -4.04 0.01 0.00 1.34 0.00 0.00 72.50 69.60 3k1q s THR 132 CO -0.08 0.18 0.68 -3.20 -0.54 0.00 0.00 174.62 171.67 3k1q n ASN 133 N 3.35 -5.03 -0.01 3.99 5.15 -1.24 -4.95 115.26 116.52 3k1q n ASN 133 Ca 0.06 -1.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.04 3k1q n ASN 133 Cb 0.47 -2.42 0.00 0.00 -0.53 0.00 0.00 39.78 37.31 3k1q n ASN 133 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3k1q n GLY 134 N -1.81 1.85 3.13 8.20 0.00 -0.44 -4.87 105.19 111.25 3k1q n GLY 134 Ca -0.17 -1.74 -0.13 0.00 0.00 0.00 0.00 46.02 43.99 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 4.60 0.00 0.37 1.61 -7.23 -1.26 -1.18 120.40 117.31 3k1q s VAL 135 Ca 0.00 -0.00 0.08 0.00 -1.81 0.00 0.00 61.98 60.25 3k1q s VAL 135 Cb 0.00 -0.35 -0.06 0.00 0.56 0.00 0.00 36.38 36.53 3k1q s VAL 135 CO 0.00 -0.00 0.03 0.72 -0.31 0.00 0.00 175.10 175.54 3k1q s PHE 136 N 0.12 2.53 0.00 2.82 -0.12 0.45 -0.61 117.98 123.18 3k1q s PHE 136 Ca -0.00 -0.54 0.01 0.00 -0.05 0.00 0.00 56.93 56.35 3k1q s PHE 136 Cb -0.02 -1.64 -0.01 0.00 -0.63 0.00 0.00 43.02 40.72 3k1q s PHE 136 CO 0.00 0.43 -0.04 -1.50 -0.05 0.00 0.00 175.22 174.06 3k1q s ILE 137 N -2.60 0.33 0.08 -4.49 2.07 -1.26 -1.02 121.20 114.31 3k1q s ILE 137 Ca 0.36 -0.33 -0.16 0.00 -1.41 0.00 0.00 60.65 59.10 3k1q s ILE 137 Cb 0.04 -0.31 -0.07 0.00 0.13 0.00 0.00 42.46 42.25 3k1q s ILE 137 CO 0.19 -0.01 0.52 -0.55 -1.91 0.00 0.00 174.94 173.18 3k1q s SER 138 N -0.38 6.91 0.21 4.50 0.15 -1.26 -4.41 113.70 119.42 3k1q s SER 138 Ca -0.01 1.11 -0.19 0.00 0.70 0.00 0.00 55.95 57.56 3k1q s SER 138 Cb -0.03 -2.30 0.19 0.00 -1.71 0.00 0.00 66.02 62.16 3k1q s SER 138 CO -0.00 0.22 1.56 0.71 1.20 0.00 0.00 173.24 176.93 3k1q h THR 139 N 3.28 0.04 -0.14 6.45 1.35 -1.90 0.59 112.91 122.59 3k1q h THR 139 Ca -0.50 0.00 0.04 0.00 -0.55 0.00 0.00 66.41 65.41 3k1q h THR 139 Cb 1.21 0.04 -0.07 0.00 -1.73 0.00 0.00 68.15 67.60 3k1q h THR 139 CO 0.64 0.00 -0.40 0.58 -0.25 0.00 0.00 175.52 176.08 3k1q h VAL 140 N -0.05 0.16 -0.05 6.82 2.07 -1.93 0.64 116.25 123.92 3k1q h VAL 140 Ca 0.30 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.84 3k1q h VAL 140 Cb 0.58 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 3k1q h VAL 140 CO -0.90 0.00 -0.07 1.56 0.02 0.00 0.00 177.57 178.18 3k1q h GLN 141 N -0.47 -0.10 -0.93 1.57 4.20 -1.66 -1.70 115.11 116.03 3k1q h GLN 141 Ca 0.08 0.01 0.08 0.00 0.06 0.00 0.00 58.65 58.88 3k1q h GLN 141 Cb 0.61 0.02 -0.07 0.00 0.30 0.00 0.00 27.48 28.35 3k1q h GLN 141 CO -0.40 -0.06 0.60 -0.84 -0.67 0.00 0.00 178.83 177.46 3k1q h ILE 142 N -0.10 1.02 -0.41 2.54 3.07 0.22 0.48 117.51 124.32 3k1q h ILE 142 Ca 0.05 -0.34 0.06 0.00 1.55 0.00 0.00 64.86 66.17 3k1q h ILE 142 Cb 0.17 -0.07 -0.09 0.00 -0.27 0.00 0.00 36.82 36.56 3k1q h ILE 142 CO -0.11 0.18 -0.51 -0.03 -1.05 0.00 0.00 178.15 176.64 3k1q h MET 143 N 1.00 -0.36 -0.35 0.16 4.05 -0.37 0.16 114.93 119.22 3k1q h MET 143 Ca 0.42 0.02 -0.16 0.00 -0.28 0.00 0.00 59.70 59.71 3k1q h MET 143 Cb 0.31 0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 31.18 3k1q h MET 143 CO -0.18 -0.24 -0.40 -0.91 0.23 0.00 0.00 176.91 175.41 3k1q h ASN 144 N -0.37 0.92 0.33 1.39 4.21 -0.29 -0.80 115.58 120.97 3k1q h ASN 144 Ca 0.10 -0.42 -0.00 0.00 1.21 0.00 0.00 56.30 57.19 3k1q h ASN 144 Cb 0.60 -0.26 -0.03 0.00 -1.12 0.00 0.00 38.32 37.51 3k1q h ASN 144 CO -0.59 1.20 -0.46 0.25 -1.29 0.00 0.00 177.43 176.53 3k1q h LEU 145 N 0.70 -1.31 -0.56 1.61 5.85 -0.82 -1.91 115.31 118.86 3k1q h LEU 145 Ca 0.05 0.12 0.11 0.00 0.84 0.00 0.00 57.88 59.01 3k1q h LEU 145 Cb 0.98 0.46 -0.10 0.00 0.37 0.00 0.00 40.66 42.36 3k1q h LEU 145 CO 0.09 -0.58 -0.11 1.56 -0.34 0.00 0.00 178.44 179.06 3k1q h GLN 146 N -0.84 0.02 -0.67 1.25 4.20 -0.40 -1.37 115.11 117.29 3k1q h GLN 146 Ca -0.03 -0.00 0.12 0.00 0.06 0.00 0.00 58.65 58.80 3k1q h GLN 146 Cb 0.78 -0.00 -0.13 0.00 0.30 0.00 0.00 27.48 28.43 3k1q h GLN 146 CO -0.14 0.01 -0.31 -0.09 -0.67 0.00 0.00 178.83 177.63 3k1q h ARG 147 N 0.02 -0.11 0.12 1.46 2.43 -0.97 0.01 114.38 117.34 3k1q h ARG 147 Ca 0.27 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.46 3k1q h ARG 147 Cb 0.42 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.97 3k1q h ARG 147 CO -0.55 -0.07 -0.21 1.15 -1.51 0.00 0.00 179.97 178.78 3k1q h THR 148 N -0.11 0.53 -0.75 0.20 2.02 -0.56 -1.76 112.91 112.48 3k1q h THR 148 Ca 0.27 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.51 3k1q h THR 148 Cb 0.56 0.53 -0.06 0.00 -1.74 0.00 0.00 68.15 67.44 3k1q h THR 148 CO -0.74 0.00 0.44 0.40 0.37 0.00 0.00 175.52 176.00 3k1q h ILE 149 N -0.40 1.01 -0.91 3.11 2.04 -1.00 -0.07 117.51 121.28 3k1q h ILE 149 Ca 0.02 -0.28 -0.01 0.00 1.00 0.00 0.00 64.86 65.59 3k1q h ILE 149 Cb 0.42 0.12 -0.04 0.00 -0.74 0.00 0.00 36.82 36.58 3k1q h ILE 149 CO -0.11 0.15 0.53 0.00 0.00 0.00 0.00 178.15 178.72 3k1q h ALA 150 N 1.37 1.17 -0.52 1.87 0.00 -0.88 -1.48 119.26 120.78 3k1q h ALA 150 Ca 0.33 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 55.01 3k1q h ALA 150 Cb 0.17 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3k1q h ALA 150 CO -0.17 0.65 -0.13 0.00 0.00 0.00 0.00 179.25 179.60 3k1q h ALA 151 N 1.29 0.78 -0.11 0.00 0.00 -0.60 0.27 119.26 120.89 3k1q h ALA 151 Ca 0.33 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3k1q h ALA 151 Cb -0.02 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3k1q h ALA 151 CO -0.06 0.67 0.06 0.00 0.00 0.00 0.00 179.25 179.92 3k1q h ARG 152 N 0.88 0.12 -0.22 0.00 3.08 -0.48 0.59 114.38 118.35 3k1q h ARG 152 Ca 0.13 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.19 3k1q h ARG 152 Cb 0.69 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.70 3k1q h ARG 152 CO 0.05 0.08 0.13 0.52 -1.07 0.00 0.00 179.97 179.68 3k1q h MET 153 N 0.12 0.26 0.00 0.04 2.86 -0.44 -1.71 114.93 116.06 3k1q h MET 153 Ca 0.04 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 3k1q h MET 153 Cb -0.00 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.60 3k1q h MET 153 CO -0.02 0.17 0.00 0.00 1.06 0.00 0.00 176.91 178.12 3k1q h ARG 154 N 0.26 0.00 0.00 1.72 3.08 -0.22 -2.14 114.38 117.09 3k1q h ARG 154 Ca 0.09 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 60.01 3k1q h ARG 154 Cb -0.00 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 3k1q h ARG 154 CO -0.04 0.00 -0.61 0.22 -1.07 0.00 0.00 179.97 178.47 3k1q h ASP 155 N 0.00 0.00 0.71 7.04 3.58 -0.03 -3.23 116.42 124.48 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 0.32 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.37 3k1q h ASP 155 CO 0.00 0.61 -0.54 0.55 -2.88 0.00 0.00 179.24 176.98 3k1q n VAL 156 N -3.42 0.18 0.05 2.25 3.14 -0.75 -4.42 118.33 115.36 3k1q n VAL 156 Ca 0.00 -0.14 0.20 0.00 -2.96 0.00 0.00 64.34 61.44 3k1q n VAL 156 Cb 0.71 0.02 0.72 0.00 -1.06 0.00 0.00 33.84 34.23 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 2.75 2.32 0.08 1.55 0.00 -1.42 0.80 119.26 125.35 3k1q h ALA 157 Ca 0.00 -0.02 -0.26 0.00 0.00 0.00 0.00 54.91 54.63 3k1q h ALA 157 Cb 0.63 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.46 3k1q h ALA 157 CO 0.00 -0.61 -1.14 -0.07 0.00 0.00 0.00 179.25 177.44 3k1q h LEU 158 N 0.00 0.56 -0.03 0.00 3.38 -1.82 -3.17 115.31 114.22 3k1q h LEU 158 Ca 0.22 -0.52 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 3k1q h LEU 158 Cb 0.96 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.53 3k1q h LEU 158 CO -0.00 1.36 -0.02 -0.50 0.09 0.00 0.00 178.44 179.37 3k1q h TRP 159 N 0.17 0.08 -0.40 1.13 4.06 0.22 -1.76 115.95 119.44 3k1q h TRP 159 Ca -0.13 -0.02 0.08 0.00 2.06 0.00 0.00 58.89 60.88 3k1q h TRP 159 Cb 1.82 -0.02 -0.09 0.00 -1.00 0.00 0.00 29.16 29.87 3k1q h TRP 159 CO 0.07 0.49 -0.28 1.96 -3.56 0.00 0.00 178.44 177.12 3k1q h GLN 160 N -0.35 -0.20 -0.09 0.49 4.20 -0.90 0.21 115.11 118.47 3k1q h GLN 160 Ca 0.01 0.01 0.04 0.00 0.06 0.00 0.00 58.65 58.77 3k1q h GLN 160 Cb 0.47 0.05 -0.06 0.00 0.30 0.00 0.00 27.48 28.24 3k1q h GLN 160 CO 0.01 -0.14 -0.30 -0.22 -0.67 0.00 0.00 178.83 177.51 3k1q h LYS 161 N -0.21 -0.39 -0.36 1.46 3.11 -1.49 -0.70 116.57 118.00 3k1q h LYS 161 Ca 0.18 0.03 0.03 0.00 -2.81 0.00 0.00 60.65 58.09 3k1q h LYS 161 Cb 0.51 0.09 -0.03 0.00 -1.00 0.00 0.00 32.23 31.79 3k1q h LYS 161 CO -0.52 -0.26 0.16 0.45 -2.81 0.00 0.00 179.45 176.46 3k1q h HIS 162 N -0.40 0.28 -0.48 1.91 3.86 -0.16 -0.58 115.15 119.58 3k1q h HIS 162 Ca 0.09 0.02 0.09 0.00 -1.16 0.00 0.00 60.37 59.41 3k1q h HIS 162 Cb 0.53 -0.07 -0.08 0.00 1.06 0.00 0.00 27.41 28.85 3k1q h HIS 162 CO -0.37 0.14 -0.03 1.25 0.86 0.00 0.00 177.93 179.78 3k1q h LEU 163 N 0.33 -0.26 -0.96 2.43 5.85 0.12 -2.03 115.31 120.79 3k1q h LEU 163 Ca 0.16 0.12 0.17 0.00 0.84 0.00 0.00 57.88 59.17 3k1q h LEU 163 Cb 0.10 0.22 -0.10 0.00 0.37 0.00 0.00 40.66 41.25 3k1q h LEU 163 CO -0.14 -0.09 0.57 0.44 -0.34 0.00 0.00 178.44 178.88 3k1q h ASP 164 N 0.09 0.73 -0.26 1.25 3.32 -0.84 -2.69 116.42 118.03 3k1q h ASP 164 Ca 0.24 0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.37 3k1q h ASP 164 Cb 0.36 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 3k1q h ASP 164 CO -0.42 0.29 0.12 0.71 -1.72 0.00 0.00 179.24 178.21 3k1q h THR 165 N 0.75 1.16 -0.26 0.35 1.35 -0.36 0.32 112.91 116.22 3k1q h THR 165 Ca 0.54 -0.46 0.06 0.00 -0.55 0.00 0.00 66.41 66.01 3k1q h THR 165 Cb 0.79 0.98 -0.08 0.00 -1.73 0.00 0.00 68.15 68.12 3k1q h THR 165 CO -0.37 0.16 -0.32 0.00 -0.25 0.00 0.00 175.52 174.74 3k1q h ALA 166 N 0.97 -0.27 0.00 6.62 0.00 -1.34 0.40 119.26 125.65 3k1q h ALA 166 Ca 0.09 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3k1q h ALA 166 Cb 0.14 0.64 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 3k1q h ALA 166 CO -0.01 -0.75 -0.00 0.52 0.00 0.00 0.00 179.25 179.00 3k1q h MET 167 N -0.32 0.00 0.00 0.00 2.07 -1.11 -2.90 114.93 112.67 3k1q h MET 167 Ca 0.13 0.00 -0.34 0.00 -2.07 0.00 0.00 59.70 57.43 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 -0.44 0.00 -2.27 0.25 1.07 0.00 0.00 176.91 175.52 3k1q n THR 168 N -3.10 1.27 0.30 2.22 -2.24 0.05 -3.56 114.28 109.22 3k1q n THR 168 Ca -0.02 -0.77 0.13 0.00 -2.27 0.00 0.00 64.05 61.12 3k1q n THR 168 Cb 0.15 -0.55 0.69 0.00 -2.10 0.00 0.00 70.33 68.52 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 -1.16 -0.78 -1.53 0.02 -0.51 114.93 110.97 3k1q h MET 169 Ca -0.50 0.00 -0.37 0.00 -3.44 0.00 0.00 59.70 55.39 3k1q h MET 169 Cb 2.12 0.00 -0.26 0.00 -0.55 0.00 0.00 31.60 32.91 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 -2.69 -1.66 -4.38 3.39 4.77 -1.22 -5.09 117.00 110.13 3k1q n LEU 170 Ca -0.02 -3.85 -0.50 0.00 -0.03 0.00 0.00 56.01 51.61 3k1q n LEU 170 Cb 0.38 0.72 -0.12 0.00 -2.33 0.00 0.00 43.42 42.06 3k1q n LEU 170 CO 0.11 1.99 1.96 1.07 -1.33 0.00 0.00 177.39 181.19 3k1q n THR 171 N 1.97 0.01 -0.08 -5.08 5.66 -0.20 -4.88 114.28 111.68 3k1q n THR 171 Ca 0.17 -0.05 0.00 0.00 -3.05 0.00 0.00 64.05 61.12 3k1q n THR 171 Cb 0.56 -0.69 0.00 0.00 -1.55 0.00 0.00 70.33 68.65 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 8.04 0.52 -3.92 1.09 -0.04 -1.24 -4.85 135.00 134.59 3k1q n PRO 172 Ca 0.58 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.71 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 1.77 4.96 -0.39 3.54 1.11 -1.26 -4.66 116.67 121.73 3k1q s ASP 173 Ca 0.00 -2.12 0.00 0.00 0.18 0.00 0.00 52.55 50.61 3k1q s ASP 173 Cb 0.00 -1.71 0.11 0.00 1.07 0.00 0.00 42.92 42.39 3k1q s ASP 173 CO 0.00 -0.44 0.15 -0.63 1.18 0.00 0.00 175.17 175.43 3k1q s ILE 174 N 0.98 2.88 0.35 0.77 -1.09 -1.26 -4.93 121.20 118.89 3k1q s ILE 174 Ca 0.10 -2.24 0.38 0.00 -2.23 0.00 0.00 60.65 56.66 3k1q s ILE 174 Cb -0.21 -3.02 0.40 0.00 -1.58 0.00 0.00 42.46 38.05 3k1q s ILE 174 CO -0.06 -0.66 2.15 0.77 -1.23 0.00 0.00 174.94 175.90 3k1q h SER 175 N 7.80 0.00 -2.43 3.58 4.64 -1.92 -2.04 113.55 123.17 3k1q h SER 175 Ca -0.09 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.89 3k1q h SER 175 Cb 1.03 0.00 -0.35 0.00 -0.31 0.00 0.00 62.40 62.76 3k1q h SER 175 CO 0.63 0.00 -0.64 0.00 -0.87 0.00 0.00 176.83 175.94 3k1q s ALA 176 N -3.90 -0.24 0.00 5.18 0.00 -1.26 -4.72 121.76 116.82 3k1q s ALA 176 Ca -0.02 -0.04 0.00 0.00 0.00 0.00 0.00 51.96 51.89 3k1q s ALA 176 Cb 0.11 -1.47 0.00 0.00 0.00 0.00 0.00 23.12 21.76 3k1q s ALA 176 CO 0.42 -1.40 0.00 0.41 0.00 0.00 0.00 175.76 175.19 3k1q n GLY 177 N 5.31 1.64 3.64 0.00 0.00 -1.26 -4.82 105.19 109.70 3k1q n GLY 177 Ca -0.05 -0.71 -0.09 0.00 0.00 0.00 0.00 46.02 45.18 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 -0.73 0.12 1.61 1.04 -1.26 0.44 113.70 110.92 3k1q s SER 178 Ca 0.00 1.28 0.09 0.00 0.48 0.00 0.00 55.95 57.80 3k1q s SER 178 Cb 0.00 1.30 -0.04 0.00 0.10 0.00 0.00 66.02 67.39 3k1q s SER 178 CO 0.00 -0.21 -0.22 0.00 0.98 0.00 0.00 173.24 173.78 3k1q s ALA 179 N 0.92 2.02 -0.13 5.32 0.00 -0.22 -5.02 121.76 124.66 3k1q s ALA 179 Ca -0.04 -1.36 -0.11 0.00 0.00 0.00 0.00 51.96 50.45 3k1q s ALA 179 Cb -0.05 -0.28 0.04 0.00 0.00 0.00 0.00 23.12 22.83 3k1q s ALA 179 CO -0.10 0.40 0.33 0.45 0.00 0.00 0.00 175.76 176.85 3k1q s SER 180 N -2.08 -0.35 0.07 0.00 0.15 -1.26 -3.26 113.70 106.97 3k1q s SER 180 Ca 0.10 0.68 -0.23 0.00 0.70 0.00 0.00 55.95 57.20 3k1q s SER 180 Cb -0.09 0.67 0.06 0.00 -1.71 0.00 0.00 66.02 64.94 3k1q s SER 180 CO 0.05 -0.12 0.56 0.00 1.20 0.00 0.00 173.24 174.93 3k1q n ASN 182 N 0.20 2.01 -0.16 0.00 5.15 -1.26 -4.07 115.26 117.13 3k1q n ASN 182 Ca -0.18 0.27 0.00 0.00 -0.60 0.00 0.00 54.58 54.08 3k1q n ASN 182 Cb 0.61 -1.28 0.26 0.00 -0.53 0.00 0.00 39.78 38.84 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 13.29 0.85 -0.21 1.20 -0.00 -1.90 -1.88 115.95 127.30 3k1q h TRP 183 Ca -0.25 -0.01 0.06 0.00 -0.00 0.00 0.00 58.89 58.69 3k1q h TRP 183 Cb 1.31 -0.28 -0.07 0.00 -0.00 0.00 0.00 29.16 30.13 3k1q h TRP 183 CO 0.97 0.59 -0.27 0.87 -0.00 0.00 0.00 178.44 180.60 3k1q h LYS 184 N 0.88 -0.29 -0.54 2.65 1.57 -1.82 0.93 116.57 119.96 3k1q h LYS 184 Ca 0.23 0.02 0.11 0.00 -1.87 0.00 0.00 60.65 59.14 3k1q h LYS 184 Cb 0.01 0.07 -0.11 0.00 0.08 0.00 0.00 32.23 32.28 3k1q h LYS 184 CO -0.04 -0.19 -0.17 0.77 -0.57 0.00 0.00 179.45 179.25 3k1q h SER 185 N -0.30 -0.60 0.82 0.86 0.02 -0.37 0.12 113.55 114.10 3k1q h SER 185 Ca 0.12 0.17 -0.04 0.00 -0.84 0.00 0.00 61.79 61.21 3k1q h SER 185 Cb 0.49 0.37 0.01 0.00 0.14 0.00 0.00 62.40 63.41 3k1q h SER 185 CO -0.38 -0.20 -0.39 -0.07 -1.14 0.00 0.00 176.83 174.65 3k1q h LEU 186 N -0.04 -0.93 -0.80 5.07 3.38 -0.40 -1.37 115.31 120.23 3k1q h LEU 186 Ca 0.26 0.03 0.17 0.00 0.09 0.00 0.00 57.88 58.43 3k1q h LEU 186 Cb 0.43 0.24 -0.11 0.00 0.09 0.00 0.00 40.66 41.31 3k1q h LEU 186 CO -0.57 -0.66 0.31 -0.07 0.09 0.00 0.00 178.44 177.53 3k1q h LEU 187 N -1.10 0.24 -0.21 1.67 3.38 0.94 0.89 115.31 121.13 3k1q h LEU 187 Ca -0.11 0.13 -0.22 0.00 0.09 0.00 0.00 57.88 57.77 3k1q h LEU 187 Cb 0.84 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.72 3k1q h LEU 187 CO 0.18 0.05 -0.87 0.00 0.09 0.00 0.00 178.44 177.89 3k1q h ALA 188 N 1.61 0.38 -0.57 1.53 0.00 -0.42 -0.87 119.26 120.93 3k1q h ALA 188 Ca 0.46 -0.66 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 3k1q h ALA 188 Cb 0.77 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 3k1q h ALA 188 CO -0.46 0.76 0.01 0.35 0.00 0.00 0.00 179.25 179.91 3k1q h PHE 189 N 0.32 1.04 -0.46 0.00 -0.00 -0.35 -2.22 116.94 115.26 3k1q h PHE 189 Ca -0.07 -0.16 0.09 0.00 -0.00 0.00 0.00 57.97 57.83 3k1q h PHE 189 Cb 1.49 -0.28 -0.10 0.00 -0.00 0.00 0.00 35.95 37.07 3k1q h PHE 189 CO 0.07 0.93 -0.33 0.00 -0.00 0.00 0.00 178.31 178.98 3k1q h ALA 190 N 1.11 -0.13 0.00 2.41 0.00 -0.54 0.16 119.26 122.27 3k1q h ALA 190 Ca 0.17 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3k1q h ALA 190 Cb 0.51 0.73 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3k1q h ALA 190 CO 0.02 -0.71 0.00 1.63 0.00 0.00 0.00 179.25 180.20 3k1q n LYS 191 N -5.42 0.11 0.08 0.00 5.02 -0.36 0.12 118.16 117.71 3k1q n LYS 191 Ca 0.02 0.20 0.05 0.00 -2.02 0.00 0.00 58.31 56.56 3k1q n LYS 191 Cb 0.34 -1.66 -0.03 0.00 -0.02 0.00 0.00 35.03 33.66 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 -3.37 116.42 119.96 3k1q h ASP 192 Ca 0.00 0.00 -0.33 0.00 0.42 0.00 0.00 57.03 57.12 3k1q h ASP 192 Cb 0.49 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.49 3k1q h ASP 192 CO 0.00 0.34 -2.15 -0.38 -2.88 0.00 0.00 179.24 174.18 3k1q n ILE 193 N -2.87 1.14 -1.69 2.25 2.08 0.54 -5.06 119.36 115.75 3k1q n ILE 193 Ca -0.04 -0.35 -0.41 0.00 0.56 0.00 0.00 62.75 62.51 3k1q n ILE 193 Cb 0.71 -1.54 0.02 0.00 -0.75 0.00 0.00 39.64 38.07 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 -3.59 3.90 -4.72 1.39 4.77 0.33 -4.83 117.00 114.26 3k1q n LEU 194 Ca -0.39 1.07 -0.42 0.00 -0.03 0.00 0.00 56.01 56.25 3k1q n LEU 194 Cb 0.82 -1.48 -0.03 0.00 -2.33 0.00 0.00 43.42 40.41 3k1q n LEU 194 CO 0.09 -0.83 1.19 -2.84 -1.33 0.00 0.00 177.39 173.67 3k1q s PRO 195 N -2.25 4.24 0.31 3.23 0.02 -1.26 -4.89 135.00 134.40 3k1q s PRO 195 Ca 0.63 2.28 0.08 0.00 0.02 0.00 0.00 61.00 64.01 3k1q s PRO 195 Cb -0.50 -3.21 0.85 0.00 0.02 0.00 0.00 34.50 31.66 3k1q s PRO 195 CO 0.57 -0.57 1.72 -0.07 -0.33 0.00 0.00 177.00 178.31 3k1q h LEU 196 N 6.91 0.58 -0.82 -5.54 3.38 -1.96 -1.65 115.31 116.20 3k1q h LEU 196 Ca -0.42 0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.69 3k1q h LEU 196 Cb 1.21 0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.02 3k1q h LEU 196 CO 0.90 0.06 0.00 0.47 0.09 0.00 0.00 178.44 179.97 3k1q n ASP 197 N -4.94 0.41 -4.77 -0.43 8.00 -1.26 -4.77 116.55 108.79 3k1q n ASP 197 Ca 0.26 0.66 -0.40 0.00 0.71 0.00 0.00 54.79 56.01 3k1q n ASP 197 Cb 0.73 -0.72 0.01 0.00 -0.02 0.00 0.00 41.12 41.12 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 6.10 0.55 -2.24 -0.87 -0.62 -4.94 114.94 109.16 3k1q s ASN 198 Ca 0.01 3.00 0.25 0.00 -1.57 0.00 0.00 52.86 54.55 3k1q s ASN 198 Cb 0.06 -2.66 1.56 0.00 -0.02 0.00 0.00 41.25 40.19 3k1q s ASN 198 CO 0.20 -1.03 2.17 -0.07 -2.57 0.00 0.00 177.10 175.80 3k1q h LEU 199 N 2.66 0.00 -1.45 0.60 3.38 -1.89 -1.41 115.31 117.20 3k1q h LEU 199 Ca -0.51 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.49 3k1q h LEU 199 Cb 1.25 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.97 3k1q h LEU 199 CO 0.63 0.05 0.39 0.00 0.09 0.00 0.00 178.44 179.60 3k1q h LEU 201 N 0.72 0.00 0.01 0.00 4.07 -1.55 -2.02 115.31 116.55 3k1q h LEU 201 Ca 0.23 0.00 -0.23 0.00 0.08 0.00 0.00 57.88 57.97 3k1q h LEU 201 Cb 0.04 0.00 0.02 0.00 1.08 0.00 0.00 40.66 41.80 3k1q h LEU 201 CO -0.06 0.37 -0.90 0.71 -1.08 0.00 0.00 178.44 177.48 3k1q h THR 202 N 0.00 1.34 -1.21 0.22 1.35 -1.55 -3.38 112.91 109.67 3k1q h THR 202 Ca -0.00 -2.21 -0.64 0.00 -0.55 0.00 0.00 66.41 63.01 3k1q h THR 202 Cb 1.19 2.50 -0.36 0.00 -1.73 0.00 0.00 68.15 69.75 3k1q h THR 202 CO 0.05 0.67 0.03 -1.22 -0.25 0.00 0.00 175.52 174.80 3k1q n TYR 203 N -3.99 3.07 -0.09 4.73 0.53 0.28 -4.93 117.16 116.77 3k1q n TYR 203 Ca -0.11 -2.66 -0.07 0.00 -1.02 0.00 0.00 57.90 54.04 3k1q n TYR 203 Cb 0.81 -0.76 -0.01 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 2.36 -0.19 -0.20 -0.72 0.11 -1.56 -1.72 132.00 130.08 3k1q h PRO 204 Ca 0.46 0.01 0.06 0.00 0.11 0.00 0.00 66.00 66.64 3k1q h PRO 204 Cb 0.92 0.04 -0.06 0.00 0.11 0.00 0.00 31.00 32.01 3k1q h PRO 204 CO 1.14 -0.13 -0.24 -0.97 -0.21 0.00 0.00 178.00 177.59 3k1q h ASN 205 N -0.20 -0.76 0.10 -2.05 -1.24 -1.91 -0.77 115.58 108.74 3k1q h ASN 205 Ca 0.17 0.13 -0.00 0.00 0.71 0.00 0.00 56.30 57.30 3k1q h ASN 205 Cb 0.46 0.35 0.00 0.00 0.73 0.00 0.00 38.32 39.87 3k1q h ASN 205 CO -0.45 -0.28 -0.05 -0.33 -1.29 0.00 0.00 177.43 175.03 3k1q h GLU 206 N -0.27 -0.13 -0.58 6.67 4.39 -1.81 -2.34 114.58 120.52 3k1q h GLU 206 Ca 0.12 0.01 0.03 0.00 0.34 0.00 0.00 59.36 59.86 3k1q h GLU 206 Cb 0.46 0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 29.10 3k1q h GLU 206 CO -0.35 -0.06 0.35 0.74 -1.16 0.00 0.00 179.01 178.52 3k1q h PHE 207 N -0.16 0.65 -0.17 4.33 -1.00 -0.34 0.28 116.94 120.53 3k1q h PHE 207 Ca -0.01 0.02 0.01 0.00 2.81 0.00 0.00 57.97 60.80 3k1q h PHE 207 Cb 0.12 -0.21 -0.01 0.00 3.61 0.00 0.00 35.95 39.46 3k1q h PHE 207 CO -0.06 0.36 0.07 -0.92 -1.61 0.00 0.00 178.31 176.15 3k1q h TYR 208 N 0.68 0.14 -0.32 -0.55 3.20 -1.23 0.56 116.97 119.46 3k1q h TYR 208 Ca 0.24 0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.19 3k1q h TYR 208 Cb 0.04 -0.04 -0.08 0.00 1.54 0.00 0.00 36.73 38.20 3k1q h TYR 208 CO -0.06 0.08 -0.24 -0.97 -1.64 0.00 0.00 178.16 175.33 3k1q h ASN 209 N 0.17 -0.78 0.50 -2.11 -1.24 -0.44 0.52 115.58 112.20 3k1q h ASN 209 Ca 0.07 0.15 -0.01 0.00 0.71 0.00 0.00 56.30 57.22 3k1q h ASN 209 Cb 0.02 0.38 -0.01 0.00 0.73 0.00 0.00 38.32 39.44 3k1q h ASN 209 CO -0.05 -0.27 -0.39 0.58 -1.29 0.00 0.00 177.43 176.01 3k1q h VAL 210 N -0.21 0.22 -0.90 2.57 2.07 -0.87 0.19 116.25 119.32 3k1q h VAL 210 Ca 0.16 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.86 3k1q h VAL 210 Cb 0.46 0.22 -0.17 0.00 -1.52 0.00 0.00 31.29 30.28 3k1q h VAL 210 CO -0.44 0.00 -0.26 0.00 0.02 0.00 0.00 177.57 176.90 3k1q h ALA 211 N -0.52 0.50 -0.70 1.67 0.00 0.72 -0.13 119.26 120.81 3k1q h ALA 211 Ca -0.05 0.33 0.04 0.00 0.00 0.00 0.00 54.91 55.23 3k1q h ALA 211 Cb 0.74 0.74 -0.04 0.00 0.00 0.00 0.00 17.79 19.23 3k1q h ALA 211 CO 0.00 -0.44 0.46 0.82 0.00 0.00 0.00 179.25 180.09 3k1q h ILE 212 N -0.01 1.08 0.00 0.00 5.03 0.42 0.50 117.51 124.52 3k1q h ILE 212 Ca 0.41 -0.28 -0.05 0.00 -0.12 0.00 0.00 64.86 64.83 3k1q h ILE 212 Cb 0.65 0.20 -0.01 0.00 -3.03 0.00 0.00 36.82 34.63 3k1q h ILE 212 CO -0.93 0.15 -0.23 0.45 -0.68 0.00 0.00 178.15 176.91 3k1q h HIS 213 N 0.80 0.00 0.05 1.37 3.86 0.73 -3.03 115.15 118.94 3k1q h HIS 213 Ca 0.28 0.00 -0.38 0.00 -1.16 0.00 0.00 60.37 59.12 3k1q h HIS 213 Cb 0.12 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.54 3k1q h HIS 213 CO -0.00 0.23 -2.26 -2.13 0.86 0.00 0.00 177.93 174.63 3k1q n ARG 214 N -3.34 0.70 -3.47 2.45 0.63 0.17 -4.56 116.66 109.25 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 0.46 -1.60 -0.05 0.00 0.45 0.00 0.00 32.46 31.72 3k1q n ARG 214 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 3k1q s TYR 215 N -2.54 3.63 0.58 -0.14 1.51 0.15 -4.64 117.35 115.91 3k1q s TYR 215 Ca -0.29 -2.23 0.28 0.00 -1.01 0.00 0.00 57.07 53.82 3k1q s TYR 215 Cb 0.08 -3.60 1.60 0.00 -0.11 0.00 0.00 41.96 39.93 3k1q s TYR 215 CO 0.68 -0.94 2.05 -1.35 -1.11 0.00 0.00 175.55 174.88 3k1q h PRO 216 N 7.53 0.00 0.00 -1.71 0.11 -1.84 -0.87 132.00 135.22 3k1q h PRO 216 Ca 0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.17 3k1q h PRO 216 Cb 1.01 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.12 3k1q h PRO 216 CO 0.74 0.00 0.13 0.00 -0.21 0.00 0.00 178.00 178.66 3k1q n ALA 217 N -2.35 0.75 -2.58 -0.75 0.00 -1.26 -4.69 120.51 109.62 3k1q n ALA 217 Ca 0.03 0.01 -0.23 0.00 0.00 0.00 0.00 53.44 53.25 3k1q n ALA 217 Cb 0.41 -0.76 -0.15 0.00 0.00 0.00 0.00 19.45 18.94 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 -2.83 2.02 0.08 0.00 1.43 -0.33 -2.28 118.68 116.76 3k1q s LEU 218 Ca -0.00 -0.27 0.08 0.00 -1.03 0.00 0.00 54.13 52.91 3k1q s LEU 218 Cb 0.00 -0.76 -0.04 0.00 0.03 0.00 0.00 46.19 45.42 3k1q s LEU 218 CO 0.01 0.18 -0.17 -0.54 0.23 0.00 0.00 176.35 176.06 3k1q s LYS 219 N -0.32 1.95 0.37 1.70 3.01 -1.12 -4.81 119.74 120.51 3k1q s LYS 219 Ca 0.05 -1.08 -0.28 0.00 -1.01 0.00 0.00 55.97 53.65 3k1q s LYS 219 Cb -0.06 -2.17 -0.11 0.00 -1.01 0.00 0.00 37.83 34.48 3k1q s LYS 219 CO -0.00 0.51 1.43 -0.35 0.51 0.00 0.00 175.35 177.44 3k1q n PRO 220 N 1.10 2.51 0.00 -1.68 -0.04 -1.26 -4.25 135.00 131.38 3k1q n PRO 220 Ca -0.16 0.88 0.00 0.00 -0.04 0.00 0.00 63.50 64.18 3k1q n PRO 220 Cb 0.52 -2.57 0.00 0.00 -0.04 0.00 0.00 33.50 31.42 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 0.54 0.00 0.41 0.55 0.00 -1.26 -3.64 105.19 101.79 3k1q n GLY 221 Ca 0.02 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.11 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 1.63 -0.25 1.61 6.94 -1.25 -0.75 115.26 123.20 3k1q n ASN 222 Ca 0.00 -2.97 0.06 0.00 -0.02 0.00 0.00 54.58 51.64 3k1q n ASN 222 Cb 0.00 -0.40 0.18 0.00 -2.36 0.00 0.00 39.78 37.20 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 0.32 0.25 -3.80 -0.53 0.13 -1.87 -1.48 132.00 125.03 3k1q h PRO 223 Ca -0.02 -0.01 -0.60 0.00 -0.87 0.00 0.00 66.00 64.49 3k1q h PRO 223 Cb 1.16 -0.06 -0.40 0.00 0.13 0.00 0.00 31.00 31.83 3k1q h PRO 223 CO 0.01 0.16 -0.74 -0.51 -0.23 0.00 0.00 178.00 176.69 3k1q s ASP 224 N -5.23 4.19 0.65 1.44 1.01 -1.26 -5.05 116.67 112.42 3k1q s ASP 224 Ca -0.13 -1.86 0.26 0.00 0.71 0.00 0.00 52.55 51.54 3k1q s ASP 224 Cb 0.21 -1.08 1.38 0.00 1.01 0.00 0.00 42.92 44.45 3k1q s ASP 224 CO 0.76 -0.39 1.79 0.74 0.21 0.00 0.00 175.17 178.27 3k1q h THR 225 N 6.42 0.08 -0.95 -1.27 2.02 -1.54 0.13 112.91 117.80 3k1q h THR 225 Ca -0.10 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.17 3k1q h THR 225 Cb 1.01 0.56 -0.12 0.00 -1.74 0.00 0.00 68.15 67.85 3k1q h THR 225 CO 0.49 0.00 -0.57 0.11 0.37 0.00 0.00 175.52 175.92 3k1q h LYS 226 N 0.00 -0.03 -2.66 6.66 1.57 -1.94 -3.37 116.57 116.80 3k1q h LYS 226 Ca 0.06 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.25 3k1q h LYS 226 Cb 1.00 0.01 -0.39 0.00 0.08 0.00 0.00 32.23 32.93 3k1q h LYS 226 CO -0.00 -0.02 -0.84 -0.51 -0.57 0.00 0.00 179.45 177.51 3k1q s LEU 227 N -10.53 1.78 0.11 2.94 1.43 0.34 -4.93 118.68 109.81 3k1q s LEU 227 Ca -0.12 -2.64 0.17 0.00 -1.03 0.00 0.00 54.13 50.50 3k1q s LEU 227 Cb 0.12 -0.65 -0.09 0.00 0.03 0.00 0.00 46.19 45.60 3k1q s LEU 227 CO 0.63 -0.25 0.94 1.55 0.23 0.00 0.00 176.35 179.45 3k1q h PRO 228 N 6.47 0.00 -5.91 1.29 0.13 -1.45 -3.36 132.00 129.17 3k1q h PRO 228 Ca 0.10 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.60 3k1q h PRO 228 Cb 0.93 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.01 3k1q h PRO 228 CO 0.38 0.29 -0.51 -0.51 -0.23 0.00 0.00 178.00 177.41 3k1q s ASP 229 N -5.84 6.23 0.13 1.44 1.01 -1.26 -4.03 116.67 114.36 3k1q s ASP 229 Ca -0.02 0.26 -0.08 0.00 0.71 0.00 0.00 52.55 53.43 3k1q s ASP 229 Cb 0.09 -1.90 -0.01 0.00 1.01 0.00 0.00 42.92 42.10 3k1q s ASP 229 CO 0.80 0.21 0.21 0.00 0.21 0.00 0.00 175.17 176.60 3k1q s ALA 230 N -1.42 0.06 -0.08 5.23 0.00 -1.26 -5.07 121.76 119.22 3k1q s ALA 230 Ca 0.31 -0.89 0.16 0.00 0.00 0.00 0.00 51.96 51.55 3k1q s ALA 230 Cb -0.13 0.72 -0.24 0.00 0.00 0.00 0.00 23.12 23.47 3k1q s ALA 230 CO 0.23 -0.57 0.25 1.04 0.00 0.00 0.00 175.76 176.71 3k1q n GLN 231 N -0.14 0.87 -3.43 0.00 1.13 -1.26 -4.96 117.38 109.59 3k1q n GLN 231 Ca -0.10 -0.10 -0.38 0.00 -1.94 0.00 0.00 57.00 54.49 3k1q n GLN 231 Cb 0.63 -1.42 -0.08 0.00 0.11 0.00 0.00 30.24 29.48 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 -2.88 3.57 0.00 -1.58 0.00 -1.26 -5.07 121.76 114.53 3k1q s ALA 232 Ca -0.07 -0.62 0.00 0.00 0.00 0.00 0.00 51.96 51.27 3k1q s ALA 232 Cb 0.09 -2.59 0.00 0.00 0.00 0.00 0.00 23.12 20.61 3k1q s ALA 232 CO 0.71 -0.33 0.00 0.72 0.00 0.00 0.00 175.76 176.86 3k1q n HIS 233 N 4.55 0.00 -0.08 0.00 8.25 -1.26 -5.14 115.22 121.54 3k1q n HIS 233 Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 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 3.60 -0.02 -0.41 -0.02 -1.26 -4.98 135.00 131.90 3k1q n PRO 234 Ca 0.00 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.35 3k1q n PRO 234 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 33.50 33.39 3k1q n PRO 234 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3k1q h LEU 235 N 0.00 0.09 0.00 2.45 5.85 -2.01 -3.42 115.31 118.27 3k1q h LEU 235 Ca 0.00 -0.47 0.00 0.00 0.84 0.00 0.00 57.88 58.25 3k1q h LEU 235 Cb 0.00 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.00 3k1q h LEU 235 CO 0.00 0.54 0.00 0.61 -0.34 0.00 0.00 178.44 179.25 3k1q n GLY 236 N 0.16 0.00 0.00 3.75 0.00 -1.26 -2.72 105.19 105.12 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 -1.05 120.64 124.60 3k1q n GLU 237 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 57.16 57.10 3k1q n GLU 237 Cb 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 31.44 30.39 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 -0.65 2.62 3.04 -1.88 -0.90 116.25 118.48 3k1q h VAL 238 Ca 0.00 0.00 0.19 0.00 -1.01 0.00 0.00 66.70 65.88 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 0.50 0.00 -1.01 0.00 0.00 177.57 177.06 3k1q h ALA 239 N -0.83 2.56 -0.32 3.17 0.00 -1.33 -1.72 119.26 120.78 3k1q h ALA 239 Ca 0.03 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 3k1q h ALA 239 Cb 0.21 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3k1q h ALA 239 CO -0.22 -0.84 -0.31 0.78 0.00 0.00 0.00 179.25 178.66 3k1q h GLY 240 N 0.00 0.85 0.45 0.00 0.00 -1.12 -3.02 103.07 100.23 3k1q h GLY 240 Ca 0.31 -0.87 0.18 0.00 0.00 0.00 0.00 47.33 46.95 3k1q h GLY 240 CO -0.00 0.78 0.57 0.00 0.00 0.00 0.00 176.54 177.89 3k1q h ALA 241 N 0.73 2.09 0.00 3.60 0.00 -0.25 -1.44 119.26 123.99 3k1q h ALA 241 Ca 0.05 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 3k1q h ALA 241 Cb 0.89 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 3k1q h ALA 241 CO 0.08 -0.35 -0.33 0.74 0.00 0.00 0.00 179.25 179.39 3k1q h PHE 242 N 0.48 0.00 0.00 0.00 0.04 -1.58 -2.71 116.94 113.17 3k1q h PHE 242 Ca 0.44 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.21 3k1q h PHE 242 Cb 0.98 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.13 3k1q h PHE 242 CO -0.00 0.33 -0.18 0.09 -0.60 0.00 0.00 178.31 177.95 3k1q n ASN 243 N -3.77 0.20 -4.69 2.17 3.02 -0.62 -3.73 115.26 107.86 3k1q n ASN 243 Ca -0.01 0.25 -0.41 0.00 -0.03 0.00 0.00 54.58 54.38 3k1q n ASN 243 Cb 0.42 -0.25 -0.05 0.00 -0.61 0.00 0.00 39.78 39.30 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 -3.01 3.45 0.16 5.41 0.00 -0.77 -4.87 121.76 122.12 3k1q s ALA 244 Ca 0.13 0.03 -0.34 0.00 0.00 0.00 0.00 51.96 51.77 3k1q s ALA 244 Cb 0.18 -3.09 -0.14 0.00 0.00 0.00 0.00 23.12 20.07 3k1q s ALA 244 CO 0.59 -0.42 1.54 0.00 0.00 0.00 0.00 175.76 177.47 3k1q n ALA 245 N 4.64 1.08 -2.30 0.00 0.00 -1.24 -4.78 120.51 117.90 3k1q n ALA 245 Ca 0.01 0.45 -0.21 0.00 0.00 0.00 0.00 53.44 53.69 3k1q n ALA 245 Cb 0.50 -2.31 -0.04 0.00 0.00 0.00 0.00 19.45 17.60 3k1q n ALA 245 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3k1q s THR 246 N 0.79 2.79 0.52 0.00 -4.23 -0.04 -5.02 115.64 110.45 3k1q s THR 246 Ca 0.79 -1.40 0.42 0.00 -1.18 0.00 0.00 61.69 60.32 3k1q s THR 246 Cb -0.71 -3.03 0.63 0.00 1.34 0.00 0.00 72.50 70.73 3k1q s THR 246 CO 0.40 -0.04 1.63 0.77 -0.54 0.00 0.00 174.62 176.84 3k1q h SER 247 N 1.13 0.08 0.00 3.99 4.64 -1.96 -3.21 113.55 118.21 3k1q h SER 247 Ca -0.42 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 3k1q h SER 247 Cb 1.26 0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 3k1q h SER 247 CO 0.59 -0.06 -0.92 -0.62 -0.87 0.00 0.00 176.83 174.95 3k1q n GLU 248 N -4.22 3.00 -4.82 4.77 4.71 -1.26 -5.05 120.64 117.77 3k1q n GLU 248 Ca 0.39 0.00 -0.31 0.00 -0.01 0.00 0.00 57.16 57.23 3k1q n GLU 248 Cb 1.70 -0.96 -0.13 0.00 -1.01 0.00 0.00 31.44 31.04 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 -1.91 2.66 0.00 2.62 0.11 -1.21 -4.80 120.40 117.87 3k1q s VAL 249 Ca 0.00 -1.12 0.00 0.00 -2.93 0.00 0.00 61.98 57.93 3k1q s VAL 249 Cb 0.00 -2.07 0.00 0.00 -1.53 0.00 0.00 36.38 32.78 3k1q s VAL 249 CO 0.00 0.42 0.00 0.61 -3.33 0.00 0.00 175.10 172.80 3k1q n GLY 250 N 1.84 -1.20 3.30 6.54 0.00 -1.26 -0.86 105.19 113.53 3k1q n GLY 250 Ca -0.16 0.00 -0.33 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 -2.43 3.86 0.13 1.61 0.15 -1.26 -3.64 113.70 112.12 3k1q s SER 251 Ca 0.00 -0.42 -0.20 0.00 0.70 0.00 0.00 55.95 56.02 3k1q s SER 251 Cb 0.00 -1.61 -0.03 0.00 -1.71 0.00 0.00 66.02 62.68 3k1q s SER 251 CO 0.00 0.08 1.70 -0.07 1.20 0.00 0.00 173.24 176.15 3k1q h LEU 252 N 7.33 -0.23 -0.78 3.45 4.07 -1.87 -2.60 115.31 124.69 3k1q h LEU 252 Ca -0.33 0.06 0.10 0.00 0.08 0.00 0.00 57.88 57.79 3k1q h LEU 252 Cb 1.19 0.14 -0.07 0.00 1.08 0.00 0.00 40.66 43.00 3k1q h LEU 252 CO 0.58 -0.09 0.42 -0.37 -1.08 0.00 0.00 178.44 177.90 3k1q h VAL 253 N -0.03 0.88 0.00 1.22 -1.51 -1.96 -2.61 116.25 112.23 3k1q h VAL 253 Ca 0.10 -0.24 0.00 0.00 -1.23 0.00 0.00 66.70 65.32 3k1q h VAL 253 Cb 0.18 0.11 0.00 0.00 -2.13 0.00 0.00 31.29 29.45 3k1q h VAL 253 CO -0.21 0.13 0.00 0.61 -1.23 0.00 0.00 177.57 176.87 3k1q n GLY 254 N -1.31 -3.02 0.38 5.19 0.00 -1.13 -0.77 105.19 104.53 3k1q n GLY 254 Ca 0.13 0.38 0.15 0.00 0.00 0.00 0.00 46.02 46.67 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 0.60 0.15 1.61 4.64 -1.54 0.15 113.55 119.16 3k1q h SER 255 Ca 0.00 0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 61.37 3k1q h SER 255 Cb 0.00 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 3k1q h SER 255 CO 0.00 0.26 -0.07 -1.28 -0.87 0.00 0.00 176.83 174.87 3k1q h SER 256 N 0.61 -0.17 -0.07 4.97 0.87 -1.30 -0.60 113.55 117.86 3k1q h SER 256 Ca 0.49 -0.20 0.04 0.00 -1.23 0.00 0.00 61.79 60.88 3k1q h SER 256 Cb 0.92 0.04 -0.05 0.00 -0.44 0.00 0.00 62.40 62.88 3k1q h SER 256 CO -0.24 0.11 -0.23 0.28 -0.53 0.00 0.00 176.83 176.22 3k1q h SER 257 N -0.47 -0.71 0.06 6.23 0.02 -0.48 -0.92 113.55 117.28 3k1q h SER 257 Ca -0.02 0.11 0.01 0.00 -0.84 0.00 0.00 61.79 61.05 3k1q h SER 257 Cb 0.37 0.30 -0.03 0.00 0.14 0.00 0.00 62.40 63.18 3k1q h SER 257 CO 0.03 -0.29 -0.37 0.74 -1.14 0.00 0.00 176.83 175.81 3k1q h THR 258 N -0.33 0.00 -0.86 -2.27 2.02 -0.64 -0.80 112.91 110.03 3k1q h THR 258 Ca 0.08 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.36 3k1q h THR 258 Cb 0.45 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.78 3k1q h THR 258 CO -0.26 0.00 0.51 -0.07 0.37 0.00 0.00 175.52 176.07 3k1q h LEU 259 N -0.50 0.74 -0.69 2.58 3.38 -0.80 -2.15 115.31 117.87 3k1q h LEU 259 Ca -0.00 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 3k1q h LEU 259 Cb 0.51 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 3k1q h LEU 259 CO -0.21 0.43 0.31 0.28 0.09 0.00 0.00 178.44 179.34 3k1q h SER 260 N 0.85 0.92 -0.94 -0.43 0.02 -0.99 -1.13 113.55 111.85 3k1q h SER 260 Ca 0.41 -0.15 0.11 0.00 -0.84 0.00 0.00 61.79 61.33 3k1q h SER 260 Cb 0.36 -0.24 -0.08 0.00 0.14 0.00 0.00 62.40 62.58 3k1q h SER 260 CO -0.24 0.81 0.57 1.56 -1.14 0.00 0.00 176.83 178.40 3k1q h GLN 261 N 0.97 0.90 0.19 3.45 4.20 -0.64 -0.20 115.11 123.98 3k1q h GLN 261 Ca 0.24 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.88 3k1q h GLN 261 Cb 0.15 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 27.73 3k1q h GLN 261 CO -0.03 0.60 -0.09 0.00 -0.67 0.00 0.00 178.83 178.64 3k1q h ALA 262 N 1.51 -0.26 -0.46 3.87 0.00 -0.88 -2.18 119.26 120.85 3k1q h ALA 262 Ca 0.46 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.34 3k1q h ALA 262 Cb 0.43 0.10 -0.08 0.00 0.00 0.00 0.00 17.79 18.24 3k1q h ALA 262 CO -0.26 -0.61 -0.51 0.82 0.00 0.00 0.00 179.25 178.69 3k1q h ILE 263 N -0.33 0.00 -0.03 0.00 2.04 -0.87 -0.83 117.51 117.49 3k1q h ILE 263 Ca -0.03 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.81 3k1q h ILE 263 Cb 0.25 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.33 3k1q h ILE 263 CO 0.04 0.00 -0.07 0.77 0.00 0.00 0.00 178.15 178.90 3k1q h SER 264 N -0.29 0.04 -0.69 1.72 4.64 -0.99 0.33 113.55 118.31 3k1q h SER 264 Ca 0.08 -0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.32 3k1q h SER 264 Cb 0.50 -0.01 -0.03 0.00 -0.31 0.00 0.00 62.40 62.55 3k1q h SER 264 CO -0.59 0.12 0.15 0.71 -0.87 0.00 0.00 176.83 176.35 3k1q h THR 265 N 0.05 1.26 -0.87 2.95 1.35 -1.12 -1.45 112.91 115.08 3k1q h THR 265 Ca 0.01 -0.98 0.04 0.00 -0.55 0.00 0.00 66.41 64.93 3k1q h THR 265 Cb 0.15 0.58 -0.06 0.00 -1.73 0.00 0.00 68.15 67.09 3k1q h THR 265 CO 0.01 0.37 0.56 0.24 -0.25 0.00 0.00 175.52 176.45 3k1q h MET 266 N 1.04 1.03 -0.66 4.72 2.07 0.98 -1.57 114.93 122.54 3k1q h MET 266 Ca 0.21 -0.06 0.09 0.00 -2.07 0.00 0.00 59.70 57.87 3k1q h MET 266 Cb 0.39 -0.23 -0.07 0.00 -1.87 0.00 0.00 31.60 29.82 3k1q h MET 266 CO 0.00 0.68 0.30 0.00 1.07 0.00 0.00 176.91 178.97 3k1q h ALA 267 N 1.38 0.89 -0.01 6.32 0.00 -0.58 -2.10 119.26 125.16 3k1q h ALA 267 Ca 0.36 0.06 -0.14 0.00 0.00 0.00 0.00 54.91 55.19 3k1q h ALA 267 Cb 0.06 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3k1q h ALA 267 CO -0.14 -0.10 -0.66 0.78 0.00 0.00 0.00 179.25 179.13 3k1q h GLY 268 N 0.53 0.04 2.00 0.00 0.00 -1.12 -2.76 103.07 101.75 3k1q h GLY 268 Ca 0.33 -0.06 -0.05 0.00 0.00 0.00 0.00 47.33 47.55 3k1q h GLY 268 CO -0.27 0.05 -0.23 1.70 0.00 0.00 0.00 176.54 177.78 3k1q h LYS 269 N 0.03 0.00 -3.43 4.80 3.64 -0.88 -3.47 116.57 117.25 3k1q h LYS 269 Ca -0.01 0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 59.08 3k1q h LYS 269 Cb 1.18 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.97 3k1q h LYS 269 CO 0.09 0.23 -0.37 -3.47 -2.27 0.00 0.00 179.45 173.66 3k1q n ASP 270 N -3.46 -4.41 0.00 4.20 2.03 -0.82 -4.49 116.55 109.60 3k1q n ASP 270 Ca -0.00 0.16 0.00 0.00 0.52 0.00 0.00 54.79 55.46 3k1q n ASP 270 Cb 0.41 -3.74 0.00 0.00 -0.72 0.00 0.00 41.12 37.07 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 -2.79 0.00 -0.28 -2.67 4.32 -1.24 -3.92 117.00 110.42 3k1q n LEU 271 Ca -0.17 0.00 0.18 0.00 -0.02 0.00 0.00 56.01 56.00 3k1q n LEU 271 Cb 0.62 0.00 0.34 0.00 -1.62 0.00 0.00 43.42 42.76 3k1q n LEU 271 CO 0.20 0.00 0.74 0.47 -1.22 0.00 0.00 177.39 177.58 3k1q n ASP 272 N 0.00 0.05 0.00 -1.43 8.00 -1.26 -3.01 116.55 118.90 3k1q n ASP 272 Ca 0.00 1.39 0.00 0.00 0.71 0.00 0.00 54.79 56.89 3k1q n ASP 272 Cb 0.00 -0.57 0.00 0.00 -0.02 0.00 0.00 41.12 40.53 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 -5.06 0.00 0.19 0.64 4.32 -1.25 0.21 117.00 116.06 3k1q n LEU 273 Ca 0.24 0.00 0.04 0.00 -0.02 0.00 0.00 56.01 56.27 3k1q n LEU 273 Cb 0.80 0.00 0.39 0.00 -1.62 0.00 0.00 43.42 42.99 3k1q n LEU 273 CO -0.03 0.00 0.73 0.40 -1.22 0.00 0.00 177.39 177.27 3k1q h ILE 274 N 0.00 1.10 -1.79 -0.08 1.08 -1.92 -3.37 117.51 112.54 3k1q h ILE 274 Ca 0.00 -1.29 -0.77 0.00 -0.39 0.00 0.00 64.86 62.41 3k1q h ILE 274 Cb 0.00 1.73 -0.21 0.00 -3.07 0.00 0.00 36.82 35.26 3k1q h ILE 274 CO 0.00 0.35 1.50 -0.62 -0.69 0.00 0.00 178.15 178.69 3k1q n GLU 275 N -3.89 4.82 -3.75 2.37 4.71 0.13 -2.95 120.64 122.09 3k1q n GLU 275 Ca -0.01 -4.05 -0.29 0.00 -0.01 0.00 0.00 57.16 52.79 3k1q n GLU 275 Cb 0.42 -2.50 -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 -3.07 1.47 -0.18 0.62 0.00 -1.26 -4.97 121.76 114.38 3k1q s ALA 276 Ca 0.46 -1.44 -0.21 0.00 0.00 0.00 0.00 51.96 50.77 3k1q s ALA 276 Cb 0.21 -1.52 -0.21 0.00 0.00 0.00 0.00 23.12 21.61 3k1q s ALA 276 CO -0.14 -1.52 0.33 -0.44 0.00 0.00 0.00 175.76 173.99 3k1q h ASP 277 N 8.10 0.07 -3.40 0.00 3.32 -1.88 -0.90 116.42 121.74 3k1q h ASP 277 Ca -0.14 -0.64 -0.67 0.00 0.02 0.00 0.00 57.03 55.60 3k1q h ASP 277 Cb 1.04 -0.02 -0.14 0.00 0.22 0.00 0.00 39.33 40.43 3k1q h ASP 277 CO 0.44 1.47 -0.65 0.42 -1.72 0.00 0.00 179.24 179.20 3k1q s THR 278 N -2.37 4.07 -0.39 0.35 -4.23 -1.26 -4.74 115.64 107.07 3k1q s THR 278 Ca -0.26 -0.63 -0.17 0.00 -1.18 0.00 0.00 61.69 59.44 3k1q s THR 278 Cb 0.05 -2.81 -0.10 0.00 1.34 0.00 0.00 72.50 70.98 3k1q s THR 278 CO 0.63 0.38 1.20 -2.65 -0.54 0.00 0.00 174.62 173.64 3k1q n PRO 279 N 1.41 0.00 -3.77 3.99 -0.02 -1.26 -4.97 135.00 130.38 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 -0.72 -0.11 0.00 -0.02 0.00 0.00 33.50 33.17 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 3.79 3.72 0.06 2.45 2.96 -1.16 -4.93 118.68 125.58 3k1q s LEU 280 Ca 0.62 -0.07 -0.30 0.00 -0.22 0.00 0.00 54.13 54.16 3k1q s LEU 280 Cb -0.65 -2.00 -0.09 0.00 0.50 0.00 0.00 46.19 43.96 3k1q s LEU 280 CO 0.26 0.02 1.81 -2.16 -1.32 0.00 0.00 176.35 174.96 3k1q s PRO 281 N 1.33 4.16 0.08 0.98 0.04 -1.26 0.12 135.00 140.46 3k1q s PRO 281 Ca 0.06 2.49 -0.08 0.00 0.04 0.00 0.00 61.00 63.51 3k1q s PRO 281 Cb -0.15 -3.81 0.07 0.00 0.04 0.00 0.00 34.50 30.66 3k1q s PRO 281 CO 0.05 -0.85 0.61 1.33 0.04 0.00 0.00 177.00 178.18 3k1q n VAL 282 N 5.06 -0.22 -0.30 -0.36 0.24 0.56 -1.57 118.33 121.74 3k1q n VAL 282 Ca 0.18 0.92 0.09 0.00 -2.04 0.00 0.00 64.34 63.49 3k1q n VAL 282 Cb 0.40 -1.20 0.31 0.00 -1.47 0.00 0.00 33.84 31.87 3k1q n VAL 282 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 3k1q h SER 283 N 0.00 0.79 0.09 -1.34 4.64 -1.86 0.91 113.55 116.78 3k1q h SER 283 Ca 0.12 0.03 -0.00 0.00 -0.47 0.00 0.00 61.79 61.47 3k1q h SER 283 Cb 0.22 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 3k1q h SER 283 CO -0.38 0.44 -0.04 0.58 -0.87 0.00 0.00 176.83 176.55 3k1q h VAL 284 N 0.86 1.16 -0.03 0.95 2.07 -1.67 -3.34 116.25 116.24 3k1q h VAL 284 Ca 0.44 -1.03 -0.20 0.00 0.82 0.00 0.00 66.70 66.74 3k1q h VAL 284 Cb 0.52 1.81 0.01 0.00 -1.52 0.00 0.00 31.29 32.11 3k1q h VAL 284 CO -0.21 0.25 -0.75 0.15 0.02 0.00 0.00 177.57 177.03 3k1q h PHE 285 N -0.60 0.82 -3.27 1.57 3.57 -0.95 -3.44 116.94 114.64 3k1q h PHE 285 Ca -0.01 -0.42 -0.58 0.00 3.53 0.00 0.00 57.97 60.49 3k1q h PHE 285 Cb 0.49 -0.10 -0.06 0.00 2.79 0.00 0.00 35.95 39.07 3k1q h PHE 285 CO 0.08 1.24 0.47 0.99 -2.23 0.00 0.00 178.31 178.87 3k1q s THR 286 N -3.38 4.84 0.00 4.41 2.01 0.31 -5.03 115.64 118.80 3k1q s THR 286 Ca -0.12 1.76 0.00 0.00 0.31 0.00 0.00 61.69 63.64 3k1q s THR 286 Cb 0.05 -4.19 0.00 0.00 0.01 0.00 0.00 72.50 68.37 3k1q s THR 286 CO 0.86 -0.01 0.00 -2.65 -0.69 0.00 0.00 174.62 172.14 3k1q n PRO 287 N 5.34 0.00 -3.32 4.92 -0.02 -1.26 -4.77 135.00 135.89 3k1q n PRO 287 Ca 0.06 0.00 -0.38 0.00 -2.02 0.00 0.00 63.50 61.16 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 6.78 -0.01 2.55 0.15 -1.26 -5.09 113.70 115.83 3k1q s SER 288 Ca 0.00 0.93 0.02 0.00 0.70 0.00 0.00 55.95 57.60 3k1q s SER 288 Cb 0.00 -2.30 -0.03 0.00 -1.71 0.00 0.00 66.02 61.97 3k1q s SER 288 CO 0.00 0.09 -0.02 -0.76 1.20 0.00 0.00 173.24 173.75 3k1q s LEU 289 N 0.09 3.42 0.14 3.45 1.43 -1.26 -5.15 118.68 120.81 3k1q s LEU 289 Ca 0.27 -0.03 0.08 0.00 -1.03 0.00 0.00 54.13 53.41 3k1q s LEU 289 Cb -0.16 -1.94 -0.04 0.00 0.03 0.00 0.00 46.19 44.07 3k1q s LEU 289 CO 0.13 0.29 -0.10 0.00 0.23 0.00 0.00 176.35 176.90 3k1q s ALA 290 N -1.04 2.94 0.76 4.21 0.00 -1.26 -5.09 121.76 122.28 3k1q s ALA 290 Ca 0.18 -1.36 -0.15 0.00 0.00 0.00 0.00 51.96 50.63 3k1q s ALA 290 Cb -0.11 -0.81 -0.00 0.00 0.00 0.00 0.00 23.12 22.19 3k1q s ALA 290 CO 0.09 0.55 0.73 -2.30 0.00 0.00 0.00 175.76 174.83 3k1q n PRO 291 N 0.37 0.27 -4.32 0.00 -0.02 -1.26 -4.76 135.00 125.28 3k1q n PRO 291 Ca -0.12 0.14 -0.17 0.00 -2.02 0.00 0.00 63.50 61.33 3k1q n PRO 291 Cb 0.54 -2.02 -0.10 0.00 -0.02 0.00 0.00 33.50 31.89 3k1q n PRO 291 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3k1q s ARG 292 N -3.20 1.27 -0.18 -0.52 1.81 -0.54 -5.02 118.95 112.57 3k1q s ARG 292 Ca 0.68 -1.60 -0.00 0.00 -1.72 0.00 0.00 55.73 53.08 3k1q s ARG 292 Cb -0.32 -0.74 0.01 0.00 -0.45 0.00 0.00 34.95 33.45 3k1q s ARG 292 CO 0.56 0.01 -0.16 -1.12 -0.68 0.00 0.00 175.30 173.91 3k1q s SER 293 N -3.28 3.49 0.21 0.23 0.01 -1.26 -0.97 113.70 112.13 3k1q s SER 293 Ca 0.24 -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 64.67 3k1q s SER 293 CO 0.06 0.02 -0.15 -0.31 0.41 0.00 0.00 173.24 173.27 3k1q s TYR 294 N 1.18 1.76 -0.03 2.43 1.51 -0.35 -4.96 117.35 118.89 3k1q s TYR 294 Ca 0.02 -0.55 0.02 0.00 -1.01 0.00 0.00 57.07 55.54 3k1q s TYR 294 Cb -0.14 -0.81 -0.03 0.00 -0.11 0.00 0.00 41.96 40.87 3k1q s TYR 294 CO -0.07 0.39 -0.05 -0.98 -1.11 0.00 0.00 175.55 173.73 3k1q s ARG 295 N -3.63 2.69 0.00 -0.62 1.70 -1.26 -0.95 118.95 116.88 3k1q s ARG 295 Ca 0.23 -0.61 0.00 0.00 -0.47 0.00 0.00 55.73 54.88 3k1q s ARG 295 Cb -0.01 -2.58 0.00 0.00 -0.57 0.00 0.00 34.95 31.79 3k1q s ARG 295 CO 0.08 0.64 0.00 -2.30 -1.08 0.00 0.00 175.30 172.63 3k1q n PRO 296 N 1.86 0.00 0.00 3.89 -0.02 -1.26 -4.25 135.00 135.22 3k1q n PRO 296 Ca -0.17 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 3k1q n PRO 296 Cb 0.53 -0.45 0.00 0.00 -0.02 0.00 0.00 33.50 33.56 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 -3.00 0.00 -1.87 3.55 0.00 -1.26 -0.39 120.51 117.54 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 0.89 -1.24 0.00 3.01 -1.26 -5.05 117.46 113.81 3k1q n PHE 298 Ca 0.00 -1.66 -0.30 0.00 1.01 0.00 0.00 57.45 56.51 3k1q n PHE 298 Cb 0.00 -0.27 0.14 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 -3.38 2.62 -0.34 4.37 1.10 0.48 -5.02 121.20 121.03 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 -2.71 0.08 0.00 0.15 0.00 0.00 42.46 40.36 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 -4.96 2.12 0.42 3.50 -0.14 -1.26 -4.96 119.74 114.46 3k1q s LYS 300 Ca 0.63 -1.56 0.29 0.00 -1.36 0.00 0.00 55.97 53.97 3k1q s LYS 300 Cb -0.18 -3.31 1.44 0.00 -1.68 0.00 0.00 37.83 34.10 3k1q s LYS 300 CO 0.57 -0.82 1.55 -2.30 -0.76 0.00 0.00 175.35 173.59 3k1q n PRO 301 N 4.54 -0.04 -0.36 -1.68 -0.02 -1.26 0.34 135.00 136.52 3k1q n PRO 301 Ca -0.07 1.28 -0.01 0.00 -2.02 0.00 0.00 63.50 62.69 3k1q n PRO 301 Cb 0.42 -2.45 0.13 0.00 -0.02 0.00 0.00 33.50 31.58 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 1.22 0.00 -0.52 3.07 -1.93 -2.70 114.58 113.72 3k1q h GLU 302 Ca 0.86 -0.07 -0.26 0.00 -0.50 0.00 0.00 59.36 59.39 3k1q h GLU 302 Cb 2.64 -0.27 -0.05 0.00 -0.84 0.00 0.00 28.75 30.23 3k1q h GLU 302 CO -0.56 0.81 -1.76 -0.25 -1.40 0.00 0.00 179.01 175.85 3k1q n ASP 303 N -4.45 0.69 -4.40 1.42 8.00 0.15 -4.83 116.55 113.14 3k1q n ASP 303 Ca 0.13 0.32 -0.45 0.00 0.71 0.00 0.00 54.79 55.50 3k1q n ASP 303 Cb 0.08 0.24 -0.02 0.00 -0.02 0.00 0.00 41.12 41.40 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 -2.69 3.83 0.08 2.24 0.00 -0.84 -4.81 121.76 119.57 3k1q s ALA 304 Ca -0.05 -3.14 -0.16 0.00 0.00 0.00 0.00 51.96 48.61 3k1q s ALA 304 Cb 0.08 -3.81 -0.04 0.00 0.00 0.00 0.00 23.12 19.36 3k1q s ALA 304 CO 0.82 -2.62 0.96 1.63 0.00 0.00 0.00 175.76 176.56 3k1q n LYS 305 N 5.11 -0.22 0.00 0.00 5.02 -1.26 -2.66 118.16 124.14 3k1q n LYS 305 Ca 0.21 0.95 0.12 0.00 -2.02 0.00 0.00 58.31 57.58 3k1q n LYS 305 Cb 0.47 -1.40 0.70 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 -4.30 0.00 -3.30 2.13 4.27 -1.26 -4.68 117.44 110.30 3k1q n TRP 306 Ca 0.01 0.00 -0.07 0.00 -3.89 0.00 0.00 57.50 53.55 3k1q n TRP 306 Cb 0.13 -0.11 -0.06 0.00 -1.36 0.00 0.00 31.31 29.91 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 -2.22 -0.67 0.01 -1.67 2.07 -1.09 0.52 121.20 118.15 3k1q s ILE 307 Ca 0.32 -0.19 0.00 0.00 -1.41 0.00 0.00 60.65 59.37 3k1q s ILE 307 Cb 0.17 -0.94 0.00 0.00 0.13 0.00 0.00 42.46 41.82 3k1q s ILE 307 CO 0.32 -0.20 0.00 0.00 -1.91 0.00 0.00 174.94 173.15 3k1q n ALA 308 N 5.37 0.01 -2.73 1.50 0.00 -0.85 -4.35 120.51 119.46 3k1q n ALA 308 Ca -0.00 -0.04 -0.17 0.00 0.00 0.00 0.00 53.44 53.23 3k1q n ALA 308 Cb 0.50 0.02 -0.13 0.00 0.00 0.00 0.00 19.45 19.84 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 -2.03 0.73 0.54 0.00 0.41 -1.26 0.48 118.70 117.57 3k1q s GLU 309 Ca 0.00 -0.68 -0.22 0.00 -0.41 0.00 0.00 54.97 53.66 3k1q s GLU 309 Cb -0.00 -0.67 -0.05 0.00 -1.78 0.00 0.00 34.13 31.63 3k1q s GLU 309 CO 0.00 0.16 1.34 0.12 -0.49 0.00 0.00 175.26 176.39 3k1q s PHE 310 N -0.91 2.34 -0.08 1.61 5.36 -1.26 -4.90 117.98 120.13 3k1q s PHE 310 Ca -0.02 1.39 -0.04 0.00 -0.96 0.00 0.00 56.93 57.30 3k1q s PHE 310 Cb -0.08 -3.75 -0.04 0.00 -0.34 0.00 0.00 43.02 38.81 3k1q s PHE 310 CO 0.01 -2.76 0.11 0.54 -1.46 0.00 0.00 175.22 171.66 3k1q s ASN 311 N -1.00 6.05 0.50 6.13 4.22 -1.26 -4.33 114.94 125.25 3k1q s ASN 311 Ca 0.71 0.34 -0.22 0.00 -2.14 0.00 0.00 52.86 51.54 3k1q s ASN 311 Cb -0.39 -1.87 -0.07 0.00 1.28 0.00 0.00 41.25 40.19 3k1q s ASN 311 CO 0.46 0.36 1.18 -3.20 -2.04 0.00 0.00 177.10 173.87 3k1q n ASN 312 N 1.75 1.95 -1.09 3.54 5.15 -1.23 -4.59 115.26 120.74 3k1q n ASN 312 Ca -0.17 0.98 0.00 0.00 -0.60 0.00 0.00 54.58 54.79 3k1q n ASN 312 Cb 0.54 -1.47 0.00 0.00 -0.53 0.00 0.00 39.78 38.32 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 -0.36 -1.97 0.00 1.20 7.64 -1.26 -4.94 113.62 113.93 3k1q n SER 313 Ca 0.10 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.98 3k1q n SER 313 Cb 0.43 -0.98 0.00 0.00 -1.01 0.00 0.00 64.21 62.65 3k1q n SER 313 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3k1q n SER 314 N 0.00 0.00 -1.01 6.43 3.41 -1.26 -5.03 113.62 116.16 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 0.19 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 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 -1.87 -1.34 -4.19 1.04 4.77 -0.48 -4.99 117.00 109.93 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 -0.67 -0.09 0.00 -2.33 0.00 0.00 43.42 40.33 3k1q n LEU 315 CO 0.00 0.00 0.01 -0.63 -1.33 0.00 0.00 177.39 175.44 3k1q s ILE 316 N -0.14 4.11 0.00 -0.08 1.01 -0.94 -4.86 121.20 120.29 3k1q s ILE 316 Ca 0.00 -2.11 0.00 0.00 0.00 0.00 0.00 60.65 58.54 3k1q s ILE 316 Cb 0.00 -3.70 0.00 0.00 0.01 0.00 0.00 42.46 38.77 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 4.51 0.00 -2.82 2.79 3.00 -1.26 -0.54 116.66 122.35 3k1q n ARG 317 Ca -0.02 0.00 -0.43 0.00 -0.01 0.00 0.00 57.85 57.39 3k1q n ARG 317 Cb 0.41 -0.16 -0.04 0.00 0.00 0.00 0.00 32.46 32.67 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 3.73 -0.12 5.56 2.47 -1.26 -1.70 119.74 128.41 3k1q s LYS 318 Ca 0.00 0.42 0.03 0.00 -1.56 0.00 0.00 55.97 54.86 3k1q s LYS 318 Cb 0.00 -3.85 0.01 0.00 -1.46 0.00 0.00 37.83 32.53 3k1q s LYS 318 CO 0.00 -1.04 -0.22 0.95 0.16 0.00 0.00 175.35 175.20 3k1q s THR 319 N 3.57 2.01 0.11 3.43 -4.23 -0.98 -5.02 115.64 114.53 3k1q s THR 319 Ca 0.38 -0.97 -0.33 0.00 -1.18 0.00 0.00 61.69 59.59 3k1q s THR 319 Cb -0.11 -1.77 -0.13 0.00 1.34 0.00 0.00 72.50 71.83 3k1q s THR 319 CO 0.21 0.54 1.69 -0.11 -0.54 0.00 0.00 174.62 176.42 3k1q n LEU 320 N 3.90 3.40 -0.06 4.79 7.94 -1.26 -2.71 117.00 132.99 3k1q n LEU 320 Ca -0.20 1.04 -0.06 0.00 -1.11 0.00 0.00 56.01 55.69 3k1q n LEU 320 Cb 0.52 -1.45 -0.10 0.00 0.53 0.00 0.00 43.42 42.92 3k1q n LEU 320 CO 0.27 -0.13 -0.90 0.35 -1.11 0.00 0.00 177.39 175.88 3k1q n THR 321 N 4.00 0.82 -4.01 1.96 -2.24 -0.54 -4.92 114.28 109.35 3k1q n THR 321 Ca 0.18 -0.52 -0.13 0.00 -2.27 0.00 0.00 64.05 61.31 3k1q n THR 321 Cb 0.31 -0.63 -0.03 0.00 -2.10 0.00 0.00 70.33 67.88 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 -2.44 -1.43 -1.69 4.78 9.36 -1.01 -5.00 117.16 119.73 3k1q n TYR 322 Ca -0.20 -2.16 -0.40 0.00 3.32 0.00 0.00 57.90 58.46 3k1q n TYR 322 Cb 0.88 0.53 -0.03 0.00 -0.63 0.00 0.00 39.34 40.10 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 -3.01 5.14 -1.40 2.98 0.01 -1.26 -1.67 113.70 114.49 3k1q s SER 323 Ca 0.26 1.37 -0.10 0.00 1.31 0.00 0.00 55.95 58.79 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 0.19 -2.29 0.62 0.61 0.41 0.00 0.00 173.24 172.79 3k1q n GLY 324 N 5.79 -0.49 3.01 3.44 0.00 -1.26 -4.97 105.19 110.71 3k1q n GLY 324 Ca 0.30 0.12 -0.16 0.00 0.00 0.00 0.00 46.02 46.28 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 -3.06 0.60 0.00 4.61 0.00 -0.67 -5.07 121.76 118.17 3k1q s ALA 325 Ca 0.46 -0.43 0.02 0.00 0.00 0.00 0.00 51.96 52.01 3k1q s ALA 325 Cb -0.24 -0.10 -0.01 0.00 0.00 0.00 0.00 23.12 22.78 3k1q s ALA 325 CO 0.57 0.10 -0.05 0.95 0.00 0.00 0.00 175.76 177.33 3k1q s THR 326 N -0.49 0.41 -0.02 0.00 -4.23 0.14 -1.47 115.64 109.98 3k1q s THR 326 Ca -0.00 -0.29 0.02 0.00 -1.18 0.00 0.00 61.69 60.24 3k1q s THR 326 Cb -0.05 -0.36 0.00 0.00 1.34 0.00 0.00 72.50 73.43 3k1q s THR 326 CO 0.00 0.06 -0.08 -0.47 -0.54 0.00 0.00 174.62 173.59 3k1q s TYR 327 N -0.24 0.85 -0.65 3.99 5.04 -1.10 -3.22 117.35 122.03 3k1q s TYR 327 Ca 0.01 -0.19 -0.23 0.00 -2.44 0.00 0.00 57.07 54.22 3k1q s TYR 327 Cb -0.03 -0.59 0.06 0.00 0.35 0.00 0.00 41.96 41.76 3k1q s TYR 327 CO -0.00 -0.07 0.97 0.95 -1.34 0.00 0.00 175.55 176.06 3k1q s THR 328 N 0.06 4.31 0.20 4.34 -4.23 -1.26 -2.31 115.64 116.76 3k1q s THR 328 Ca -0.01 -0.24 0.31 0.00 -1.18 0.00 0.00 61.69 60.57 3k1q s THR 328 Cb -0.07 -4.67 0.34 0.00 1.34 0.00 0.00 72.50 69.44 3k1q s THR 328 CO 0.00 -1.42 1.98 1.62 -0.54 0.00 0.00 174.62 176.26 3k1q h VAL 329 N 5.98 0.23 -3.07 2.29 3.04 -1.51 -3.48 116.25 119.73 3k1q h VAL 329 Ca -0.28 -0.64 -0.38 0.00 -1.01 0.00 0.00 66.70 64.38 3k1q h VAL 329 Cb 1.07 1.52 -0.03 0.00 -2.01 0.00 0.00 31.29 31.84 3k1q h VAL 329 CO 1.17 0.08 -0.48 1.67 -1.01 0.00 0.00 177.57 178.99 3k1q n GLN 330 N -3.25 -1.78 -1.44 4.17 -0.06 0.30 -4.39 117.38 110.93 3k1q n GLN 330 Ca -0.00 0.94 -0.47 0.00 -2.00 0.00 0.00 57.00 55.46 3k1q n GLN 330 Cb 0.31 -5.57 -0.10 0.00 -4.06 0.00 0.00 30.24 20.82 3k1q n GLN 330 CO 0.00 0.00 0.00 -0.11 -0.20 0.00 0.00 177.06 176.75 3k1q n LEU 331 N -2.93 1.33 0.00 1.69 7.94 -0.22 -3.94 117.00 120.86 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 -1.14 0.00 0.00 0.53 0.00 0.00 43.42 43.48 3k1q n LEU 331 CO 0.26 -0.88 0.00 0.61 -1.11 0.00 0.00 177.39 176.28 3k1q n GLY 332 N 6.63 0.73 3.56 -3.96 0.00 -1.26 -1.39 105.19 109.50 3k1q n GLY 332 Ca 0.51 0.40 -0.28 0.00 0.00 0.00 0.00 46.02 46.65 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 1.92 2.15 -1.31 1.61 0.04 -1.26 -3.47 135.00 134.68 3k1q s PRO 333 Ca 0.00 0.61 -0.05 0.00 0.04 0.00 0.00 61.00 61.60 3k1q s PRO 333 Cb 0.00 -4.70 0.01 0.00 0.04 0.00 0.00 34.50 29.85 3k1q s PRO 333 CO 0.00 -3.54 1.07 0.41 0.04 0.00 0.00 177.00 174.98 3k1q n GLY 334 N 6.36 -0.46 3.56 0.56 0.00 -1.26 -4.67 105.19 109.28 3k1q n GLY 334 Ca 0.37 0.18 -0.18 0.00 0.00 0.00 0.00 46.02 46.40 3k1q n GLY 334 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3k1q s PRO 335 N -5.95 1.82 2.72 1.61 0.02 -1.26 -4.74 135.00 129.23 3k1q s PRO 335 Ca 0.33 0.43 0.00 0.00 0.02 0.00 0.00 61.00 61.78 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 -4.15 0.00 2.41 -0.33 0.00 0.00 177.00 175.67 3k1q n THR 336 N 8.54 0.00 -3.59 0.99 -1.04 -1.24 -4.63 114.28 113.32 3k1q n THR 336 Ca 0.44 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 62.32 3k1q n THR 336 Cb 0.45 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.91 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 1.03 -0.36 -2.82 1.81 -1.26 -4.77 118.95 112.58 3k1q s ARG 337 Ca 0.00 -0.31 -0.08 0.00 -1.72 0.00 0.00 55.73 53.62 3k1q s ARG 337 Cb 0.00 0.47 0.04 0.00 -0.45 0.00 0.00 34.95 35.01 3k1q s ARG 337 CO 0.00 -0.38 0.15 0.14 -0.68 0.00 0.00 175.30 174.54 3k1q s VAL 338 N -2.64 4.04 -0.44 3.52 -7.23 0.18 -4.27 120.40 113.56 3k1q s VAL 338 Ca -0.04 -1.11 -0.26 0.00 -1.81 0.00 0.00 61.98 58.75 3k1q s VAL 338 Cb -0.00 -3.31 0.02 0.00 0.56 0.00 0.00 36.38 33.65 3k1q s VAL 338 CO -0.03 -0.25 0.96 -0.63 -0.31 0.00 0.00 175.10 174.84 3k1q s ILE 339 N 1.44 4.46 -1.26 -0.62 1.09 0.11 -2.00 121.20 124.42 3k1q s ILE 339 Ca 0.00 0.96 -0.15 0.00 -1.10 0.00 0.00 60.65 60.36 3k1q s ILE 339 Cb -0.20 -4.44 0.13 0.00 -1.06 0.00 0.00 42.46 36.89 3k1q s ILE 339 CO 0.04 -0.78 1.62 0.47 -0.10 0.00 0.00 174.94 176.19 3k1q n ASP 340 N 7.18 5.04 -2.04 3.58 8.00 0.18 -2.47 116.55 136.02 3k1q n ASP 340 Ca 0.07 -2.96 -0.21 0.00 0.71 0.00 0.00 54.79 52.40 3k1q n ASP 340 Cb 0.48 -1.63 0.14 0.00 -0.02 0.00 0.00 41.12 40.09 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 6.49 2.09 -2.63 -1.24 2.81 -0.67 -4.56 117.12 119.41 3k1q n MET 341 Ca 0.42 -2.53 -0.42 0.00 -1.81 0.00 0.00 57.70 53.37 3k1q n MET 341 Cb 0.43 -1.99 -0.03 0.00 -0.71 0.00 0.00 33.22 30.92 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 -0.95 6.52 -1.14 7.83 2.47 -1.01 -4.09 114.94 124.58 3k1q s ASN 342 Ca 0.48 -1.55 -0.10 0.00 0.42 0.00 0.00 52.86 52.10 3k1q s ASN 342 Cb 0.40 -2.54 -0.03 0.00 -1.45 0.00 0.00 41.25 37.63 3k1q s ASN 342 CO 0.08 -1.43 0.83 0.00 -3.72 0.00 0.00 177.10 172.86 3k1q n ALA 343 N 8.47 -2.41 -3.03 1.71 0.00 -1.26 -4.94 120.51 119.05 3k1q n ALA 343 Ca 0.31 -0.07 -0.34 0.00 0.00 0.00 0.00 53.44 53.33 3k1q n ALA 343 Cb 0.51 -4.30 -0.02 0.00 0.00 0.00 0.00 19.45 15.63 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 -3.83 3.86 0.00 0.00 2.81 -1.26 -4.85 117.12 113.85 3k1q n MET 344 Ca -0.13 -4.69 0.00 0.00 -1.81 0.00 0.00 57.70 51.07 3k1q n MET 344 Cb 0.62 -2.37 0.00 0.00 -0.71 0.00 0.00 33.22 30.76 3k1q n MET 344 CO 0.00 0.00 0.00 0.44 1.51 0.00 0.00 175.97 177.92 3k1q n ILE 345 N 0.53 0.00 -3.84 2.02 -6.64 -1.26 -4.72 119.36 105.45 3k1q n ILE 345 Ca 0.33 0.00 -0.36 0.00 -1.77 0.00 0.00 62.75 60.95 3k1q n ILE 345 Cb 0.35 0.00 -0.13 0.00 -1.44 0.00 0.00 39.64 38.42 3k1q n ILE 345 CO 0.00 0.00 0.00 -1.81 -1.77 0.00 0.00 176.55 172.97 3k1q s ASP 346 N -4.00 4.68 0.22 7.28 1.11 -1.26 -4.47 116.67 120.23 3k1q s ASP 346 Ca 0.00 -0.51 0.03 0.00 0.18 0.00 0.00 52.55 52.26 3k1q s ASP 346 Cb 0.00 -1.80 -0.05 0.00 1.07 0.00 0.00 42.92 42.14 3k1q s ASP 346 CO 0.00 -0.08 -0.01 -0.44 1.18 0.00 0.00 175.17 175.82 3k1q s SER 347 N 1.49 1.79 -0.23 0.27 0.01 -0.89 -1.54 113.70 114.59 3k1q s SER 347 Ca 0.04 -1.21 0.02 0.00 1.31 0.00 0.00 55.95 56.11 3k1q s SER 347 Cb -0.16 0.02 0.05 0.00 0.21 0.00 0.00 66.02 66.14 3k1q s SER 347 CO -0.01 -0.51 -0.11 -0.69 0.41 0.00 0.00 173.24 172.34 3k1q s VAL 348 N -3.43 1.91 -1.18 3.43 1.01 0.72 -2.05 120.40 120.81 3k1q s VAL 348 Ca 0.28 -1.32 -0.21 0.00 0.00 0.00 0.00 61.98 60.72 3k1q s VAL 348 Cb 0.06 -2.00 -0.02 0.00 0.00 0.00 0.00 36.38 34.41 3k1q s VAL 348 CO 0.08 0.08 1.84 -0.76 0.00 0.00 0.00 175.10 176.34 3k1q s LEU 349 N 1.25 3.35 -1.03 3.92 1.43 -0.79 -1.84 118.68 124.96 3k1q s LEU 349 Ca -0.05 -1.80 -0.23 0.00 -1.03 0.00 0.00 54.13 51.03 3k1q s LEU 349 Cb -0.18 -2.58 0.01 0.00 0.03 0.00 0.00 46.19 43.47 3k1q s LEU 349 CO -0.07 -2.32 1.67 -0.89 0.23 0.00 0.00 176.35 174.97 3k1q s THR 350 N 8.31 3.78 -0.24 5.49 2.01 -0.75 -1.70 115.64 132.54 3k1q s THR 350 Ca 0.62 -0.81 -0.21 0.00 0.31 0.00 0.00 61.69 61.60 3k1q s THR 350 Cb 0.00 -4.73 -0.02 0.00 0.01 0.00 0.00 72.50 67.76 3k1q s THR 350 CO 0.08 -1.59 0.68 -0.22 -0.69 0.00 0.00 174.62 172.88 3k1q s LEU 351 N 6.84 4.08 -0.43 4.42 2.96 -0.17 0.14 118.68 136.52 3k1q s LEU 351 Ca 0.56 0.80 0.04 0.00 -0.22 0.00 0.00 54.13 55.31 3k1q s LEU 351 Cb -0.01 -2.94 0.12 0.00 0.50 0.00 0.00 46.19 43.85 3k1q s LEU 351 CO -0.03 -0.39 0.16 -1.81 -1.32 0.00 0.00 176.35 172.95 3k1q s ASP 352 N 1.40 4.46 -0.22 3.68 1.01 0.16 -0.11 116.67 127.06 3k1q s ASP 352 Ca 0.29 -2.56 -0.09 0.00 0.71 0.00 0.00 52.55 50.90 3k1q s ASP 352 Cb -0.15 -1.57 -0.04 0.00 1.01 0.00 0.00 42.92 42.17 3k1q s ASP 352 CO 0.08 -0.31 0.11 -0.69 0.21 0.00 0.00 175.17 174.58 3k1q s VAL 353 N 0.35 4.99 0.04 -1.27 1.01 -0.89 -0.83 120.40 123.81 3k1q s VAL 353 Ca 0.14 0.05 -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 32.90 3k1q s VAL 353 CO -0.05 0.38 0.51 -0.55 0.00 0.00 0.00 175.10 175.39 3k1q s SER 354 N 0.97 -0.42 0.00 3.32 0.15 -1.26 0.37 113.70 116.82 3k1q s SER 354 Ca 0.06 0.18 0.00 0.00 0.70 0.00 0.00 55.95 56.88 3k1q s SER 354 Cb -0.14 0.48 0.00 0.00 -1.71 0.00 0.00 66.02 64.65 3k1q s SER 354 CO 0.03 -0.70 0.00 0.61 1.20 0.00 0.00 173.24 174.38 3k1q n GLY 355 N 0.47 2.10 3.59 9.45 0.00 0.06 -4.88 105.19 115.97 3k1q n GLY 355 Ca -0.18 -0.26 -0.42 0.00 0.00 0.00 0.00 46.02 45.16 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 3.04 0.00 2.61 2.01 -1.26 -1.29 115.64 120.74 3k1q s THR 356 Ca 0.00 0.04 0.00 0.00 0.31 0.00 0.00 61.69 62.04 3k1q s THR 356 Cb 0.00 -3.06 0.00 0.00 0.01 0.00 0.00 72.50 69.45 3k1q s THR 356 CO 0.00 -0.04 0.00 0.00 -0.69 0.00 0.00 174.62 173.89 3k1q n ILE 357 N 7.78 0.00 -3.29 1.82 0.13 -1.25 -4.57 119.36 119.98 3k1q n ILE 357 Ca 0.30 0.00 -0.21 0.00 -1.10 0.00 0.00 62.75 61.74 3k1q n ILE 357 Cb 0.47 -0.49 0.02 0.00 -0.84 0.00 0.00 39.64 38.79 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 -2.26 -3.74 -4.65 9.51 4.77 -1.26 -4.82 117.00 114.55 3k1q n LEU 358 Ca 0.00 0.19 -0.40 0.00 -0.03 0.00 0.00 56.01 55.77 3k1q n LEU 358 Cb 0.28 -1.89 0.02 0.00 -2.33 0.00 0.00 43.42 39.50 3k1q n LEU 358 CO 0.00 -0.90 0.71 -2.65 -1.33 0.00 0.00 177.39 173.23 3k1q n PRO 359 N 0.33 1.49 -1.49 3.23 -0.02 -1.26 -4.79 135.00 132.50 3k1q n PRO 359 Ca -0.03 0.54 -0.56 0.00 -2.02 0.00 0.00 63.50 61.42 3k1q n PRO 359 Cb 0.56 -2.23 -0.09 0.00 -0.02 0.00 0.00 33.50 31.73 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 -0.68 1.64 0.00 6.00 0.53 -1.26 -4.84 117.16 118.55 3k1q n TYR 360 Ca 0.09 0.53 0.00 0.00 -1.02 0.00 0.00 57.90 57.51 3k1q n TYR 360 Cb 0.41 -2.43 0.00 0.00 -1.03 0.00 0.00 39.34 36.29 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 7.57 0.00 -2.83 7.72 10.43 -1.26 -2.08 116.55 136.11 3k1q n ASP 361 Ca 0.40 0.00 -0.11 0.00 2.57 0.00 0.00 54.79 57.65 3k1q n ASP 361 Cb 0.11 0.00 0.03 0.00 1.84 0.00 0.00 41.12 43.11 3k1q n ASP 361 CO 0.00 0.00 0.00 1.07 -1.07 0.00 0.00 177.20 177.20 3k1q n THR 362 N 0.00 -0.12 -4.67 -3.53 5.66 -1.26 -5.12 114.28 105.25 3k1q n THR 362 Ca 0.00 -1.95 -0.33 0.00 -3.05 0.00 0.00 64.05 58.72 3k1q n THR 362 Cb 0.00 0.92 -0.13 0.00 -1.55 0.00 0.00 70.33 69.56 3k1q n THR 362 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 175.07 172.22 3k1q s ASN 363 N -1.60 4.30 0.00 1.09 0.01 -0.88 -5.00 114.94 112.86 3k1q s ASN 363 Ca 0.32 -0.23 0.00 0.00 -0.71 0.00 0.00 52.86 52.24 3k1q s ASN 363 Cb 0.23 -1.55 0.00 0.00 0.41 0.00 0.00 41.25 40.33 3k1q s ASN 363 CO -0.21 0.20 0.60 -0.81 -1.51 0.00 0.00 177.10 175.37 3k1q n PRO 364 N 3.29 0.43 -1.86 -0.60 -0.04 -1.26 -3.39 135.00 131.57 3k1q n PRO 364 Ca -0.18 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.03 3k1q n PRO 364 Cb 0.53 -1.29 0.04 0.00 -0.04 0.00 0.00 33.50 32.74 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 1.19 5.27 -0.08 3.54 8.00 -1.26 -4.49 116.55 128.72 3k1q n ASP 365 Ca 0.00 -3.76 -0.17 0.00 0.71 0.00 0.00 54.79 51.57 3k1q n ASP 365 Cb 0.21 -0.45 -0.13 0.00 -0.02 0.00 0.00 41.12 40.73 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 2.10 0.02 -9.90 0.64 3.38 -1.93 -3.39 115.31 106.24 3k1q h LEU 366 Ca 0.40 -0.83 -0.52 0.00 0.09 0.00 0.00 57.88 57.01 3k1q h LEU 366 Cb 1.41 -0.01 0.07 0.00 0.09 0.00 0.00 40.66 42.22 3k1q h LEU 366 CO 0.87 1.19 0.63 -0.94 0.09 0.00 0.00 178.44 180.28 3k1q s SER 367 N -6.47 6.68 0.00 -0.43 1.04 -1.26 -4.35 113.70 108.91 3k1q s SER 367 Ca -0.22 2.67 0.00 0.00 0.48 0.00 0.00 55.95 58.88 3k1q s SER 367 Cb 0.00 -2.65 0.00 0.00 0.10 0.00 0.00 66.02 63.48 3k1q s SER 367 CO 0.66 -0.60 0.00 0.35 0.98 0.00 0.00 173.24 174.64 3k1q n THR 368 N 0.65 0.00 -3.80 2.02 -2.24 -1.26 -4.93 114.28 104.71 3k1q n THR 368 Ca 0.01 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.42 3k1q n THR 368 Cb 0.42 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 -2.17 5.05 0.02 3.42 1.04 -1.14 -3.84 113.70 116.07 3k1q s SER 369 Ca 0.00 -0.96 0.02 0.00 0.48 0.00 0.00 55.95 55.49 3k1q s SER 369 Cb 0.00 -1.82 -0.04 0.00 0.10 0.00 0.00 66.02 64.26 3k1q s SER 369 CO 0.00 -0.24 0.03 0.68 0.98 0.00 0.00 173.24 174.69 3k1q s VAL 370 N 1.41 4.29 -0.13 5.02 -7.23 -0.72 -4.73 120.40 118.30 3k1q s VAL 370 Ca -0.00 -0.63 -0.29 0.00 -1.81 0.00 0.00 61.98 59.24 3k1q s VAL 370 Cb -0.18 -2.96 -0.05 0.00 0.56 0.00 0.00 36.38 33.75 3k1q s VAL 370 CO 0.01 0.31 1.89 -2.84 -0.31 0.00 0.00 175.10 174.16 3k1q s PRO 371 N -1.78 3.74 0.14 4.82 0.02 -1.26 -0.08 135.00 140.60 3k1q s PRO 371 Ca 0.22 2.09 0.03 0.00 0.02 0.00 0.00 61.00 63.35 3k1q s PRO 371 Cb -0.12 -4.16 -0.04 0.00 0.02 0.00 0.00 34.50 30.19 3k1q s PRO 371 CO 0.13 -1.39 -0.05 0.00 -0.33 0.00 0.00 177.00 175.36 3k1q s ALA 372 N 5.76 1.28 -0.12 -1.55 0.00 0.24 -4.74 121.76 122.62 3k1q s ALA 372 Ca 0.85 -1.49 -0.00 0.00 0.00 0.00 0.00 51.96 51.32 3k1q s ALA 372 Cb -0.33 0.25 -0.02 0.00 0.00 0.00 0.00 23.12 23.02 3k1q s ALA 372 CO 0.35 -0.22 -0.11 0.12 0.00 0.00 0.00 175.76 175.90 3k1q s PHE 373 N -3.53 2.84 -0.12 0.00 5.36 0.21 -0.73 117.98 122.02 3k1q s PHE 373 Ca 0.18 -0.51 0.01 0.00 -0.96 0.00 0.00 56.93 55.65 3k1q s PHE 373 Cb 0.05 -1.84 0.02 0.00 -0.34 0.00 0.00 43.02 40.91 3k1q s PHE 373 CO 0.00 -0.12 -0.15 0.08 -1.46 0.00 0.00 175.22 173.57 3k1q s VAL 374 N 0.20 1.51 0.15 3.12 1.01 -0.39 -0.45 120.40 125.55 3k1q s VAL 374 Ca -0.07 -0.63 -0.21 0.00 0.00 0.00 0.00 61.98 61.08 3k1q s VAL 374 Cb -0.15 -1.39 -0.08 0.00 0.00 0.00 0.00 36.38 34.76 3k1q s VAL 374 CO 0.05 0.44 0.67 -0.22 0.00 0.00 0.00 175.10 176.04 3k1q s LEU 375 N 1.17 4.48 -0.18 3.92 2.96 0.69 0.68 118.68 132.39 3k1q s LEU 375 Ca -0.03 1.40 -0.02 0.00 -0.22 0.00 0.00 54.13 55.27 3k1q s LEU 375 Cb -0.14 -3.24 -0.01 0.00 0.50 0.00 0.00 46.19 43.30 3k1q s LEU 375 CO -0.05 0.17 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.43 3k1q s ILE 376 N -1.27 3.06 -0.66 6.68 1.01 0.25 -1.42 121.20 128.86 3k1q s ILE 376 Ca 0.36 -0.62 0.05 0.00 0.00 0.00 0.00 60.65 60.44 3k1q s ILE 376 Cb -0.19 -2.34 0.20 0.00 0.01 0.00 0.00 42.46 40.13 3k1q s ILE 376 CO 0.22 0.48 0.57 0.00 0.00 0.00 0.00 174.94 176.20 3k1q n GLN 377 N 4.25 1.92 -4.37 2.79 6.02 -0.55 -0.52 117.38 126.92 3k1q n GLN 377 Ca -0.19 -4.43 -0.19 0.00 -0.01 0.00 0.00 57.00 52.19 3k1q n GLN 377 Cb 0.51 -2.21 -0.15 0.00 1.02 0.00 0.00 30.24 29.42 3k1q n GLN 377 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 3k1q s THR 378 N -1.69 0.72 -2.00 5.09 -1.32 -0.48 -2.20 115.64 113.76 3k1q s THR 378 Ca 0.30 -0.37 0.01 0.00 -1.21 0.00 0.00 61.69 60.42 3k1q s THR 378 Cb 0.03 -0.62 0.02 0.00 -1.51 0.00 0.00 72.50 70.42 3k1q s THR 378 CO -0.12 0.21 0.79 -1.20 -2.21 0.00 0.00 174.62 172.10 3k1q n SER 379 N 3.00 0.00 -4.27 8.08 7.64 -1.26 -2.95 113.62 123.85 3k1q n SER 379 Ca -0.15 -1.50 -0.40 0.00 1.01 0.00 0.00 58.87 57.82 3k1q n SER 379 Cb 0.56 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.66 3k1q n SER 379 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3k1q s VAL 380 N -2.00 4.27 -0.03 0.44 1.01 -1.26 -4.92 120.40 117.91 3k1q s VAL 380 Ca 0.01 -1.40 -0.35 0.00 0.00 0.00 0.00 61.98 60.25 3k1q s VAL 380 Cb 0.00 -3.62 -0.13 0.00 0.00 0.00 0.00 36.38 32.64 3k1q s VAL 380 CO 0.01 -0.52 1.78 -2.65 0.00 0.00 0.00 175.10 173.72 3k1q n PRO 381 N 4.93 2.08 0.00 2.72 -0.02 -1.26 -4.79 135.00 138.65 3k1q n PRO 381 Ca -0.10 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 3k1q n PRO 381 Cb 0.43 -2.57 0.00 0.00 -0.02 0.00 0.00 33.50 31.34 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 4.59 0.00 0.29 4.25 2.08 -1.26 0.14 119.36 129.45 3k1q n ILE 382 Ca 0.21 0.00 0.13 0.00 0.56 0.00 0.00 62.75 63.66 3k1q n ILE 382 Cb 0.28 0.00 0.63 0.00 -0.75 0.00 0.00 39.64 39.80 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 0.42 115.11 121.44 3k1q h GLN 383 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 3k1q h GLN 383 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.53 3k1q h GLN 383 CO 0.00 0.00 -0.45 1.04 -1.50 0.00 0.00 178.83 177.92 3k1q n GLN 384 N -2.43 0.00 -2.72 1.46 3.00 0.12 -4.82 117.38 111.99 3k1q n GLN 384 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.57 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 -3.00 4.33 -0.15 5.09 1.01 0.14 -4.76 120.40 123.05 3k1q s VAL 385 Ca 0.11 -1.46 0.14 0.00 0.00 0.00 0.00 61.98 60.77 3k1q s VAL 385 Cb 0.18 -4.99 -0.19 0.00 0.00 0.00 0.00 36.38 31.38 3k1q s VAL 385 CO 0.68 -1.80 0.06 0.35 0.00 0.00 0.00 175.10 174.39 3k1q n THR 386 N 6.11 1.03 -4.55 3.92 -2.24 -1.26 -4.98 114.28 112.31 3k1q n THR 386 Ca 0.34 -0.64 -0.25 0.00 -2.27 0.00 0.00 64.05 61.23 3k1q n THR 386 Cb 0.48 -0.59 -0.11 0.00 -2.10 0.00 0.00 70.33 68.02 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 -2.38 1.62 0.43 4.28 -4.23 -1.26 -4.53 115.64 109.57 3k1q s THR 387 Ca -0.07 -2.00 0.22 0.00 -1.18 0.00 0.00 61.69 58.65 3k1q s THR 387 Cb 0.05 -2.89 0.42 0.00 1.34 0.00 0.00 72.50 71.42 3k1q s THR 387 CO 0.62 0.00 1.80 0.00 -0.54 0.00 0.00 174.62 176.51 3k1q h ALA 388 N 1.91 2.39 -0.99 3.99 0.00 -1.96 -2.32 119.26 122.27 3k1q h ALA 388 Ca -0.43 0.03 0.15 0.00 0.00 0.00 0.00 54.91 54.67 3k1q h ALA 388 Cb 1.24 0.03 -0.10 0.00 0.00 0.00 0.00 17.79 18.96 3k1q h ALA 388 CO 0.76 -0.74 0.61 0.00 0.00 0.00 0.00 179.25 179.87 3k1q h ALA 389 N 1.58 1.57 -0.73 0.00 0.00 -2.00 -2.45 119.26 117.24 3k1q h ALA 389 Ca 0.55 0.05 0.10 0.00 0.00 0.00 0.00 54.91 55.61 3k1q h ALA 389 Cb 1.54 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 19.11 3k1q h ALA 389 CO -0.21 0.08 0.36 -0.91 0.00 0.00 0.00 179.25 178.58 3k1q h ASN 390 N 0.87 0.47 -1.26 0.00 4.21 -1.80 -3.34 115.58 114.73 3k1q h ASN 390 Ca 0.53 0.06 0.37 0.00 1.21 0.00 0.00 56.30 58.47 3k1q h ASN 390 Cb 0.68 -0.01 -0.09 0.00 -1.12 0.00 0.00 38.32 37.78 3k1q h ASN 390 CO -0.32 0.26 0.85 0.16 -1.29 0.00 0.00 177.43 177.09 3k1q h ILE 391 N 0.61 0.33 0.00 2.81 -0.00 -1.57 -3.43 117.51 116.25 3k1q h ILE 391 Ca 0.36 -0.05 0.00 0.00 -0.00 0.00 0.00 64.86 65.17 3k1q h ILE 391 Cb 0.39 0.17 0.00 0.00 -0.00 0.00 0.00 36.82 37.38 3k1q h ILE 391 CO -0.28 0.03 0.00 0.41 -0.00 0.00 0.00 178.15 178.31 3k1q n THR 392 N -4.43 0.00 -4.07 0.16 -1.04 -1.26 -4.08 114.28 99.57 3k1q n THR 392 Ca 0.30 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.99 3k1q n THR 392 Cb 1.26 0.00 -0.15 0.00 -1.82 0.00 0.00 70.33 69.61 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 -0.53 2.41 0.00 -0.93 -5.03 121.76 119.08 3k1q s ALA 393 Ca 0.00 -1.54 -0.19 0.00 0.00 0.00 0.00 51.96 50.23 3k1q s ALA 393 Cb 0.00 -1.44 0.08 0.00 0.00 0.00 0.00 23.12 21.76 3k1q s ALA 393 CO 0.00 -0.93 0.63 0.96 0.00 0.00 0.00 175.76 176.42 3k1q s ILE 394 N 1.20 4.89 -0.31 0.00 -4.36 -1.26 -1.49 121.20 119.87 3k1q s ILE 394 Ca -0.04 -0.74 -0.06 0.00 -0.26 0.00 0.00 60.65 59.54 3k1q s ILE 394 Cb -0.18 -4.35 0.02 0.00 1.25 0.00 0.00 42.46 39.20 3k1q s ILE 394 CO -0.07 -0.90 0.08 0.42 0.24 0.00 0.00 174.94 174.70 3k1q s THR 395 N 2.54 3.80 -0.44 8.37 -4.23 -0.50 -5.00 115.64 120.18 3k1q s THR 395 Ca 0.13 -0.92 -0.27 0.00 -1.18 0.00 0.00 61.69 59.45 3k1q s THR 395 Cb -0.22 -3.05 -0.04 0.00 1.34 0.00 0.00 72.50 70.54 3k1q s THR 395 CO 0.09 -0.03 2.06 -0.69 -0.54 0.00 0.00 174.62 175.51 3k1q s VAL 396 N 1.44 3.23 -0.25 2.29 1.01 -1.26 -0.22 120.40 126.64 3k1q s VAL 396 Ca 0.00 0.19 -0.17 0.00 0.00 0.00 0.00 61.98 62.00 3k1q s VAL 396 Cb -0.18 -3.44 -0.15 0.00 0.00 0.00 0.00 36.38 32.60 3k1q s VAL 396 CO 0.02 -0.37 -0.11 0.52 0.00 0.00 0.00 175.10 175.16 3k1q n VAL 397 N 7.58 1.53 -3.78 2.92 0.31 -0.60 -4.85 118.33 121.45 3k1q n VAL 397 Ca 0.27 -0.24 -0.33 0.00 -0.01 0.00 0.00 64.34 64.04 3k1q n VAL 397 Cb 0.50 -1.95 -0.10 0.00 -0.91 0.00 0.00 33.84 31.39 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 -7.22 5.20 0.00 4.52 0.01 0.41 -4.72 113.70 111.90 3k1q s SER 398 Ca -0.35 -3.43 0.00 0.00 1.31 0.00 0.00 55.95 53.48 3k1q s SER 398 Cb 0.11 -1.78 0.00 0.00 0.21 0.00 0.00 66.02 64.56 3k1q s SER 398 CO 0.54 -0.21 0.00 0.00 0.41 0.00 0.00 173.24 173.98 3k1q n ALA 399 N 2.64 0.42 -0.84 1.44 0.00 -1.26 -0.62 120.51 122.29 3k1q n ALA 399 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 3k1q n ALA 399 Cb 0.36 0.01 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 -0.26 0.00 -2.24 0.00 0.00 -1.26 -4.39 120.51 112.36 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 0.01 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.43 3k1q n ALA 400 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3k1q s GLY 401 N 0.00 0.48 -1.19 0.00 0.00 -1.26 -4.90 107.32 100.44 3k1q s GLY 401 Ca 0.00 -1.05 -0.07 0.00 0.00 0.00 0.00 44.72 43.60 3k1q s GLY 401 CO 0.00 3.13 1.72 0.00 0.00 0.00 0.00 173.10 177.95 3k1q n ALA 402 N 11.53 5.33 -2.00 3.20 0.00 -1.26 -4.41 120.51 132.90 3k1q n ALA 402 Ca 0.17 -4.53 0.00 0.00 0.00 0.00 0.00 53.44 49.08 3k1q n ALA 402 Cb 0.51 -2.70 0.00 0.00 0.00 0.00 0.00 19.45 17.25 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 2.70 0.00 0.00 0.00 3.41 -1.26 -4.63 113.62 113.83 3k1q n SER 403 Ca 0.34 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.95 3k1q n SER 403 Cb 0.35 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.30 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 -3.25 7.33 0.00 -1.26 -2.89 120.51 117.43 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 0.02 -0.47 0.00 1.10 -1.26 -4.38 121.20 114.21 3k1q s ILE 405 Ca 0.00 -0.13 -0.29 0.00 -0.51 0.00 0.00 60.65 59.73 3k1q s ILE 405 Cb 0.00 -0.55 -0.30 0.00 0.15 0.00 0.00 42.46 41.76 3k1q s ILE 405 CO 0.00 -0.07 1.80 0.59 -2.11 0.00 0.00 174.94 175.15 3k1q n ASN 406 N 2.42 1.34 0.10 4.50 4.13 -1.26 -4.64 115.26 121.85 3k1q n ASN 406 Ca -0.15 -2.52 0.13 0.00 1.68 0.00 0.00 54.58 53.71 3k1q n ASN 406 Cb 0.57 -1.00 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 12.61 0.69 -4.72 3.41 4.77 -1.26 -4.78 117.00 127.72 3k1q n LEU 407 Ca 0.45 0.60 -0.42 0.00 -0.03 0.00 0.00 56.01 56.61 3k1q n LEU 407 Cb 0.44 -0.42 -0.03 0.00 -2.33 0.00 0.00 43.42 41.08 3k1q n LEU 407 CO 0.97 -0.29 1.01 0.00 -1.33 0.00 0.00 177.39 177.75 3k1q s ALA 408 N -3.16 3.54 -0.68 -1.18 0.00 -1.26 -1.75 121.76 117.28 3k1q s ALA 408 Ca 0.09 1.08 -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 19.50 3k1q s ALA 408 CO 0.52 -0.56 1.86 -0.89 0.00 0.00 0.00 175.76 176.69 3k1q n ILE 409 N 3.46 0.83 0.63 0.00 5.41 0.15 -4.72 119.36 125.12 3k1q n ILE 409 Ca 0.09 -0.79 0.13 0.00 1.00 0.00 0.00 62.75 63.18 3k1q n ILE 409 Cb 0.43 -2.11 0.33 0.00 -0.71 0.00 0.00 39.64 37.58 3k1q n ILE 409 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 3k1q n ASN 410 N 12.28 0.74 -0.36 4.38 5.03 -1.20 -3.30 115.26 132.83 3k1q n ASN 410 Ca 0.46 0.40 0.08 0.00 0.87 0.00 0.00 54.58 56.39 3k1q n ASN 410 Cb 0.44 -0.44 0.25 0.00 -1.02 0.00 0.00 39.78 39.00 3k1q n ASN 410 CO 0.00 0.00 0.00 0.58 -1.83 0.00 0.00 177.26 176.01 3k1q h VAL 411 N 0.00 0.90 -0.30 2.41 2.07 -1.84 -0.99 116.25 118.50 3k1q h VAL 411 Ca 0.00 -0.33 -0.16 0.00 0.82 0.00 0.00 66.70 67.02 3k1q h VAL 411 Cb 0.73 -0.16 -0.10 0.00 -1.52 0.00 0.00 31.29 30.24 3k1q h VAL 411 CO 0.00 0.18 -0.19 0.54 0.02 0.00 0.00 177.57 178.12 3k1q n ARG 412 N -4.63 1.84 0.00 1.57 3.00 -1.26 -4.85 116.66 112.33 3k1q n ARG 412 Ca 0.19 -3.26 0.00 0.00 -0.01 0.00 0.00 57.85 54.78 3k1q n ARG 412 Cb 0.37 -1.80 0.00 0.00 0.00 0.00 0.00 32.46 31.04 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 -1.11 2.77 3.77 -0.13 0.00 -0.37 -5.00 105.19 105.11 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 -0.28 4.25 -0.82 1.61 1.11 -1.21 -4.94 119.66 119.38 3k1q s GLN 414 Ca 0.00 2.21 0.01 0.00 0.01 0.00 0.00 55.36 57.60 3k1q s GLN 414 Cb 0.00 -2.98 0.22 0.00 -1.01 0.00 0.00 33.01 29.24 3k1q s GLN 414 CO 0.00 -0.28 0.77 -0.35 0.01 0.00 0.00 175.29 175.44 3k1q n PRO 415 N 0.61 2.58 -4.03 2.91 -0.04 -1.26 -3.21 135.00 132.55 3k1q n PRO 415 Ca 0.01 -4.53 -0.33 0.00 -0.04 0.00 0.00 63.50 58.62 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 -1.72 2.35 -0.20 0.54 1.81 -1.23 -3.81 118.95 116.69 3k1q s ARG 416 Ca 0.29 -1.29 -0.28 0.00 -1.72 0.00 0.00 55.73 52.73 3k1q s ARG 416 Cb -0.02 -2.94 -0.05 0.00 -0.45 0.00 0.00 34.95 31.49 3k1q s ARG 416 CO -0.10 -0.56 2.15 0.12 -0.68 0.00 0.00 175.30 176.23 3k1q s PHE 417 N 1.15 1.24 0.55 -0.53 2.19 -0.41 0.30 117.98 122.47 3k1q s PHE 417 Ca -0.07 0.42 -0.18 0.00 0.33 0.00 0.00 56.93 57.43 3k1q s PHE 417 Cb -0.19 -3.98 -0.14 0.00 -1.31 0.00 0.00 43.02 37.39 3k1q s PHE 417 CO -0.04 -4.16 -0.07 -1.71 1.83 0.00 0.00 175.22 171.06 3k1q n ASN 418 N 11.03 -3.41 -4.59 6.13 5.15 -0.72 -0.76 115.26 128.09 3k1q n ASN 418 Ca 0.28 0.64 -0.42 0.00 -0.60 0.00 0.00 54.58 54.47 3k1q n ASN 418 Cb 0.45 -0.89 -0.03 0.00 -0.53 0.00 0.00 39.78 38.78 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 -1.25 3.24 0.05 1.20 0.23 -1.26 -4.43 119.30 117.08 3k1q s MET 419 Ca 0.58 1.17 -0.15 0.00 -1.03 0.00 0.00 55.69 56.25 3k1q s MET 419 Cb -0.47 -4.20 -0.06 0.00 -1.53 0.00 0.00 34.83 28.57 3k1q s MET 419 CO 0.65 -1.97 0.46 -1.17 -2.03 0.00 0.00 175.02 170.97 3k1q s LEU 420 N 7.03 4.46 -0.44 0.18 2.96 0.16 -5.00 118.68 128.03 3k1q s LEU 420 Ca 0.74 1.03 -0.07 0.00 -0.22 0.00 0.00 54.13 55.60 3k1q s LEU 420 Cb -0.19 -2.80 0.11 0.00 0.50 0.00 0.00 46.19 43.81 3k1q s LEU 420 CO 0.31 0.27 0.28 -2.28 -1.32 0.00 0.00 176.35 173.60 3k1q s HIS 421 N -1.18 3.45 0.18 5.38 5.65 -1.26 -2.08 115.29 125.42 3k1q s HIS 421 Ca 0.28 -1.95 -0.09 0.00 0.25 0.00 0.00 55.06 53.55 3k1q s HIS 421 Cb -0.17 -3.26 -0.07 0.00 -1.18 0.00 0.00 32.58 27.90 3k1q s HIS 421 CO 0.16 -0.95 0.49 -0.51 -0.65 0.00 0.00 174.74 173.28 3k1q s LEU 422 N 1.31 4.24 -0.05 8.88 1.43 0.85 -4.98 118.68 130.35 3k1q s LEU 422 Ca 0.05 0.86 0.01 0.00 -1.03 0.00 0.00 54.13 54.02 3k1q s LEU 422 Cb -0.24 -3.45 0.02 0.00 0.03 0.00 0.00 46.19 42.55 3k1q s LEU 422 CO -0.01 0.01 -0.04 -1.10 0.23 0.00 0.00 176.35 175.44 3k1q s GLN 423 N -2.53 0.88 -0.40 1.70 -1.52 -1.26 -1.00 119.66 115.53 3k1q s GLN 423 Ca 0.43 -0.09 0.03 0.00 -1.95 0.00 0.00 55.36 53.77 3k1q s GLN 423 Cb -0.12 -0.94 0.11 0.00 -0.22 0.00 0.00 33.01 31.84 3k1q s GLN 423 CO 0.21 -0.13 0.15 0.00 -0.25 0.00 0.00 175.29 175.27 3k1q s ALA 424 N 1.15 2.72 -0.07 6.09 0.00 -0.69 -4.59 121.76 126.37 3k1q s ALA 424 Ca -0.07 -2.65 -0.15 0.00 0.00 0.00 0.00 51.96 49.09 3k1q s ALA 424 Cb -0.14 -1.97 -0.17 0.00 0.00 0.00 0.00 23.12 20.84 3k1q s ALA 424 CO -0.01 -1.84 1.09 0.25 0.00 0.00 0.00 175.76 175.25 3k1q n THR 425 N 3.89 0.00 -1.77 0.00 -2.24 -1.26 -1.89 114.28 111.00 3k1q n THR 425 Ca 0.04 -0.26 -0.19 0.00 -2.27 0.00 0.00 64.05 61.37 3k1q n THR 425 Cb 0.38 -0.96 -0.08 0.00 -2.10 0.00 0.00 70.33 67.57 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 5.37 1.44 -0.43 4.78 5.36 -0.87 -4.87 117.98 128.76 3k1q s PHE 426 Ca 0.34 1.53 -0.06 0.00 -0.96 0.00 0.00 56.93 57.78 3k1q s PHE 426 Cb 0.06 -3.63 0.11 0.00 -0.34 0.00 0.00 43.02 39.22 3k1q s PHE 426 CO 0.16 -1.30 0.26 -1.21 -1.46 0.00 0.00 175.22 171.67 3k1q s GLU 427 N 7.95 2.23 0.62 10.12 0.41 -1.26 -2.10 118.70 136.67 3k1q s GLU 427 Ca 0.80 -1.77 0.28 0.00 -0.41 0.00 0.00 54.97 53.88 3k1q s GLU 427 Cb -0.07 -3.72 1.47 0.00 -1.78 0.00 0.00 34.13 30.03 3k1q s GLU 427 CO 0.10 -1.10 1.86 0.07 -0.49 0.00 0.00 175.26 175.69 3k1q h ARG 428 N 8.22 0.00 -0.26 1.61 0.11 -1.90 -1.25 114.38 120.92 3k1q h ARG 428 Ca -0.17 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 59.86 3k1q h ARG 428 Cb 1.06 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.12 3k1q h ARG 428 CO 0.76 0.00 -0.07 0.93 0.10 0.00 0.00 179.97 181.69 3k1q h GLU 429 N 0.00 0.42 -1.02 0.08 3.07 -1.94 1.28 114.58 116.46 3k1q h GLU 429 Ca 0.12 -0.09 0.26 0.00 -0.50 0.00 0.00 59.36 59.15 3k1q h GLU 429 Cb 1.03 -0.06 -0.12 0.00 -0.84 0.00 0.00 28.75 28.76 3k1q h GLU 429 CO -0.00 0.50 0.61 1.15 -1.40 0.00 0.00 179.01 179.86 3k1q h THR 430 N 0.40 0.50 0.00 1.13 2.02 -1.63 -3.20 112.91 112.12 3k1q h THR 430 Ca 0.08 -0.18 -0.22 0.00 0.77 0.00 0.00 66.41 66.87 3k1q h THR 430 Cb 0.37 -0.06 -0.04 0.00 -1.74 0.00 0.00 68.15 66.68 3k1q h THR 430 CO 0.02 0.09 -1.81 -0.38 0.37 0.00 0.00 175.52 173.81 3k1q n ILE 431 N -4.87 0.81 -3.75 3.11 5.41 -0.81 -5.06 119.36 114.21 3k1q n ILE 431 Ca 0.28 -0.50 -0.23 0.00 1.00 0.00 0.00 62.75 63.30 3k1q n ILE 431 Cb 0.81 -0.69 0.03 0.00 -0.71 0.00 0.00 39.64 39.08 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 -2.44 -4.00 -4.95 1.39 -2.24 0.43 -4.77 114.28 97.70 3k1q n THR 432 Ca -0.19 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.16 3k1q n THR 432 Cb 0.88 -3.55 0.00 0.00 -2.10 0.00 0.00 70.33 65.56 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 -1.63 1.02 5.00 3.38 0.00 -1.26 -4.92 105.19 106.79 3k1q n GLY 433 Ca -0.25 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.13 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 -3.01 -0.61 5.41 -1.26 -4.65 119.36 115.24 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 3.72 -1.35 0.38 -0.04 -1.26 -4.62 135.00 131.82 3k1q n PRO 435 Ca 0.00 -4.18 -0.46 0.00 -0.04 0.00 0.00 63.50 58.82 3k1q n PRO 435 Cb 0.00 -2.73 -0.02 0.00 -0.04 0.00 0.00 33.50 30.71 3k1q n PRO 435 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3k1q n TYR 436 N 3.34 -0.74 -3.22 0.54 4.02 -1.15 -1.39 117.16 118.56 3k1q n TYR 436 Ca 0.30 0.89 -0.40 0.00 -0.01 0.00 0.00 57.90 58.69 3k1q n TYR 436 Cb 0.38 -1.89 -0.07 0.00 -0.02 0.00 0.00 39.34 37.75 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 -1.09 5.08 0.25 -0.72 1.09 -1.26 -3.48 121.20 121.07 3k1q s ILE 437 Ca 0.62 0.95 0.06 0.00 -1.10 0.00 0.00 60.65 61.18 3k1q s ILE 437 Cb -0.86 -3.85 -0.05 0.00 -1.06 0.00 0.00 42.46 36.63 3k1q s ILE 437 CO 0.56 0.12 -0.07 -0.31 -0.10 0.00 0.00 174.94 175.14 3k1q s TYR 438 N 2.01 1.82 -0.04 3.97 1.51 0.32 -1.67 117.35 125.28 3k1q s TYR 438 Ca 0.23 -0.72 -0.30 0.00 -1.01 0.00 0.00 57.07 55.27 3k1q s TYR 438 Cb -0.15 -1.01 0.07 0.00 -0.11 0.00 0.00 41.96 40.76 3k1q s TYR 438 CO 0.09 0.23 0.69 0.20 -1.11 0.00 0.00 175.55 175.66 3k1q s GLY 439 N -3.39 -0.56 0.26 0.71 0.00 -1.03 -0.58 107.32 102.72 3k1q s GLY 439 Ca 0.28 1.29 0.03 0.00 0.00 0.00 0.00 44.72 46.31 3k1q s GLY 439 CO 0.10 0.89 0.03 -2.27 0.00 0.00 0.00 173.10 171.85 3k1q s LEU 440 N -1.33 2.10 -0.08 0.66 2.96 0.21 0.08 118.68 123.29 3k1q s LEU 440 Ca -0.09 -1.29 0.04 0.00 -0.22 0.00 0.00 54.13 52.57 3k1q s LEU 440 Cb -0.00 -0.26 -0.01 0.00 0.50 0.00 0.00 46.19 46.42 3k1q s LEU 440 CO 0.07 -0.57 -0.22 -0.83 -1.32 0.00 0.00 176.35 173.49 3k1q s GLY 441 N -3.36 1.37 -0.29 7.98 0.00 -1.26 -1.26 107.32 110.50 3k1q s GLY 441 Ca 0.32 -1.00 -0.24 0.00 0.00 0.00 0.00 44.72 43.80 3k1q s GLY 441 CO 0.11 -0.53 1.22 -1.08 0.00 0.00 0.00 173.10 172.83 3k1q s THR 442 N -0.05 0.00 -0.86 0.90 -1.32 0.09 -4.50 115.64 109.91 3k1q s THR 442 Ca -0.06 0.00 -0.25 0.00 -1.21 0.00 0.00 61.69 60.17 3k1q s THR 442 Cb -0.15 -1.00 -0.23 0.00 -1.51 0.00 0.00 72.50 69.62 3k1q s THR 442 CO 0.05 0.00 1.94 2.22 -2.21 0.00 0.00 174.62 176.61 3k1q n PHE 443 N 2.03 0.71 -3.10 9.09 1.16 -1.22 0.81 117.46 126.94 3k1q n PHE 443 Ca -0.12 -0.18 -0.39 0.00 -1.87 0.00 0.00 57.45 54.89 3k1q n PHE 443 Cb 0.56 -2.19 -0.05 0.00 -1.61 0.00 0.00 39.48 36.19 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 13.82 4.46 0.04 5.98 0.20 0.89 -4.60 118.68 139.48 3k1q s LEU 444 Ca 0.72 1.34 0.09 0.00 0.69 0.00 0.00 54.13 56.97 3k1q s LEU 444 Cb -0.02 -3.08 -0.03 0.00 -0.43 0.00 0.00 46.19 42.63 3k1q s LEU 444 CO 0.19 0.10 -0.26 -0.51 -0.29 0.00 0.00 176.35 175.58 3k1q s ILE 445 N -0.37 2.17 -0.05 6.68 2.07 -1.26 -1.76 121.20 128.69 3k1q s ILE 445 Ca 0.34 -1.35 -0.27 0.00 -1.41 0.00 0.00 60.65 57.97 3k1q s ILE 445 Cb -0.20 -1.84 -0.22 0.00 0.13 0.00 0.00 42.46 40.34 3k1q s ILE 445 CO 0.21 0.39 1.15 -0.65 -1.91 0.00 0.00 174.94 174.13 3k1q h PRO 446 N 4.85 -0.00 -6.24 3.50 0.11 -1.80 -3.30 132.00 129.12 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 0.60 1.23 0.45 -0.21 0.00 0.00 178.00 180.51 3k1q s SER 447 N -5.81 6.23 0.23 -2.05 0.15 -1.26 -0.69 113.70 110.50 3k1q s SER 447 Ca -0.17 2.01 -0.32 0.00 0.70 0.00 0.00 55.95 58.17 3k1q s SER 447 Cb 0.01 -2.53 -0.13 0.00 -1.71 0.00 0.00 66.02 61.66 3k1q s SER 447 CO 0.68 -1.32 1.59 -2.65 1.20 0.00 0.00 173.24 172.74 3k1q n PRO 448 N 7.80 2.45 -3.82 5.44 -0.02 -1.20 -4.87 135.00 140.79 3k1q n PRO 448 Ca 0.21 0.88 -0.35 0.00 -2.02 0.00 0.00 63.50 62.22 3k1q n PRO 448 Cb 0.44 -2.65 -0.08 0.00 -0.02 0.00 0.00 33.50 31.19 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 0.52 5.33 -0.85 3.45 -4.23 -1.21 -4.93 115.64 113.71 3k1q s THR 449 Ca 0.71 0.16 -0.25 0.00 -1.18 0.00 0.00 61.69 61.13 3k1q s THR 449 Cb -0.57 -3.39 -0.04 0.00 1.34 0.00 0.00 72.50 69.83 3k1q s THR 449 CO 0.42 0.50 1.90 -0.55 -0.54 0.00 0.00 174.62 176.35 3k1q s SER 450 N -0.05 5.23 0.33 3.99 0.15 -1.26 -4.55 113.70 117.55 3k1q s SER 450 Ca 0.09 -0.52 0.12 0.00 0.70 0.00 0.00 55.95 56.34 3k1q s SER 450 Cb -0.11 -2.55 1.03 0.00 -1.71 0.00 0.00 66.02 62.67 3k1q s SER 450 CO -0.00 -2.61 1.65 -1.28 1.20 0.00 0.00 173.24 172.19 3k1q h SER 451 N 11.89 0.34 0.16 5.45 0.87 -1.96 0.29 113.55 130.59 3k1q h SER 451 Ca 0.03 0.20 -0.01 0.00 -1.23 0.00 0.00 61.79 60.79 3k1q h SER 451 Cb 1.03 0.20 0.00 0.00 -0.44 0.00 0.00 62.40 63.19 3k1q h SER 451 CO 1.22 -0.18 -0.08 0.77 -0.53 0.00 0.00 176.83 178.03 3k1q h SER 452 N 0.25 -0.18 0.00 6.23 4.64 -2.00 -3.30 113.55 119.19 3k1q h SER 452 Ca 0.70 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.95 3k1q h SER 452 Cb 1.60 0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.74 3k1q h SER 452 CO -0.65 -0.04 0.00 0.59 -0.87 0.00 0.00 176.83 175.86 3k1q n ASN 453 N -5.14 0.00 -3.89 4.97 4.13 -0.97 -4.16 115.26 110.20 3k1q n ASN 453 Ca -0.09 0.96 -0.43 0.00 1.68 0.00 0.00 54.58 56.71 3k1q n ASN 453 Cb 0.15 -0.46 0.00 0.00 -1.54 0.00 0.00 39.78 37.93 3k1q n ASN 453 CO 0.00 0.00 0.00 0.33 0.28 0.00 0.00 177.26 177.87 3k1q n PHE 454 N -2.24 3.19 -0.03 3.10 7.35 0.97 -4.79 117.46 125.02 3k1q n PHE 454 Ca 0.00 -2.86 0.23 0.00 -0.76 0.00 0.00 57.45 54.07 3k1q n PHE 454 Cb 0.00 -2.07 0.72 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 5.90 0.00 -2.44 -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 1.18 0.21 -0.87 0.00 0.00 176.83 179.00 3k1q s ASN 456 N -5.57 6.43 0.00 4.97 3.04 -1.26 -4.98 114.94 117.57 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 0.18 -2.55 0.00 0.00 -1.54 0.00 0.00 41.25 37.35 3k1q s ASN 456 CO 0.66 -1.04 0.86 -0.81 -3.04 0.00 0.00 177.10 173.74 3k1q n PRO 457 N 6.73 0.00 0.00 0.43 -0.04 -1.25 -4.83 135.00 136.03 3k1q n PRO 457 Ca 0.19 0.41 0.00 0.00 -0.04 0.00 0.00 63.50 64.06 3k1q n PRO 457 Cb 0.40 -1.36 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 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 -1.68 0.00 -1.70 0.52 5.66 -1.26 -4.21 114.28 111.61 3k1q n THR 458 Ca 0.00 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 60.81 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 5.12 -4.57 1.09 4.77 -1.26 -3.67 117.00 118.48 3k1q n LEU 459 Ca 0.00 -4.33 -0.43 0.00 -0.03 0.00 0.00 56.01 51.22 3k1q n LEU 459 Cb 0.00 -0.57 -0.00 0.00 -2.33 0.00 0.00 43.42 40.52 3k1q n LEU 459 CO 0.00 1.70 1.91 -0.32 -1.33 0.00 0.00 177.39 179.35 3k1q s MET 460 N -3.52 3.97 -0.94 3.23 1.75 -1.26 -4.92 119.30 117.59 3k1q s MET 460 Ca 0.51 -1.97 -0.07 0.00 -1.25 0.00 0.00 55.69 52.91 3k1q s MET 460 Cb 0.43 -5.50 0.24 0.00 2.84 0.00 0.00 34.83 32.83 3k1q s MET 460 CO 0.01 -2.23 0.88 -0.51 -0.65 0.00 0.00 175.02 172.52 3k1q s ASP 461 N 4.20 6.59 0.00 1.11 1.11 -1.26 -4.73 116.67 123.69 3k1q s ASP 461 Ca 0.53 -3.41 0.00 0.00 0.18 0.00 0.00 52.55 49.85 3k1q s ASP 461 Cb 0.03 -2.08 0.00 0.00 1.07 0.00 0.00 42.92 41.95 3k1q s ASP 461 CO 0.06 -0.31 0.00 0.61 1.18 0.00 0.00 175.17 176.71 3k1q n GLY 462 N 2.88 2.54 3.58 0.21 0.00 -1.26 -4.74 105.19 108.41 3k1q n GLY 462 Ca 0.20 -0.13 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 3k1q n GLY 462 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3k1q s LEU 463 N 0.00 3.05 -0.38 0.99 2.96 -0.01 -4.10 118.68 121.20 3k1q s LEU 463 Ca 0.00 -0.42 0.01 0.00 -0.22 0.00 0.00 54.13 53.49 3k1q s LEU 463 Cb 0.00 -1.81 0.12 0.00 0.50 0.00 0.00 46.19 44.99 3k1q s LEU 463 CO 0.00 0.15 0.17 -0.22 -1.32 0.00 0.00 176.35 175.13 3k1q s LEU 464 N -2.40 2.55 -0.77 -0.68 2.96 -0.13 0.37 118.68 120.59 3k1q s LEU 464 Ca 0.23 -2.17 -0.18 0.00 -0.22 0.00 0.00 54.13 51.79 3k1q s LEU 464 Cb -0.10 -0.97 0.14 0.00 0.50 0.00 0.00 46.19 45.75 3k1q s LEU 464 CO 0.14 -0.34 0.88 -0.89 -1.32 0.00 0.00 176.35 174.83 3k1q s THR 465 N 0.94 4.96 0.01 3.68 2.01 0.36 -1.21 115.64 126.40 3k1q s THR 465 Ca 0.14 -1.53 -0.30 0.00 0.31 0.00 0.00 61.69 60.31 3k1q s THR 465 Cb -0.21 -4.59 -0.08 0.00 0.01 0.00 0.00 72.50 67.62 3k1q s THR 465 CO -0.11 -1.25 1.87 -0.69 -0.69 0.00 0.00 174.62 173.76 3k1q s VAL 466 N 2.13 3.18 -1.19 3.82 1.01 -0.14 -1.81 120.40 127.39 3k1q s VAL 466 Ca 0.21 0.22 -0.14 0.00 0.00 0.00 0.00 61.98 62.28 3k1q s VAL 466 Cb -0.14 -3.14 0.18 0.00 0.00 0.00 0.00 36.38 33.28 3k1q s VAL 466 CO -0.03 -0.02 1.40 -0.89 0.00 0.00 0.00 175.10 175.57 3k1q s THR 467 N 4.32 5.10 -0.79 3.92 2.01 -0.76 -1.47 115.64 127.97 3k1q s THR 467 Ca 0.84 -2.67 -0.24 0.00 0.31 0.00 0.00 61.69 59.93 3k1q s THR 467 Cb -0.40 -4.89 -0.19 0.00 0.01 0.00 0.00 72.50 67.04 3k1q s THR 467 CO 0.38 -1.59 1.89 -0.81 -0.69 0.00 0.00 174.62 173.80 3k1q n PRO 468 N 5.46 1.11 -0.28 4.92 -0.04 -1.26 -0.20 135.00 144.70 3k1q n PRO 468 Ca 0.35 -1.86 0.09 0.00 -0.04 0.00 0.00 63.50 62.04 3k1q n PRO 468 Cb 0.43 -3.19 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 -1.89 0.52 -1.51 -1.79 -3.30 116.25 114.10 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 -0.15 0.00 -2.13 0.00 0.00 31.29 29.91 3k1q h VAL 469 CO 1.66 0.07 1.31 -0.22 -1.23 0.00 0.00 177.57 179.16 3k1q s LEU 470 N -10.51 4.62 0.15 4.19 2.96 -0.59 -4.74 118.68 114.77 3k1q s LEU 470 Ca -0.12 -2.31 0.12 0.00 -0.22 0.00 0.00 54.13 51.59 3k1q s LEU 470 Cb 0.23 -2.45 0.60 0.00 0.50 0.00 0.00 46.19 45.07 3k1q s LEU 470 CO 0.77 -1.05 1.36 0.18 -1.32 0.00 0.00 176.35 176.29 3k1q n LEU 471 N 6.92 0.28 -4.60 -0.68 4.32 -1.25 -4.63 117.00 117.36 3k1q n LEU 471 Ca 0.33 0.62 -0.43 0.00 -0.02 0.00 0.00 56.01 56.51 3k1q n LEU 471 Cb 0.47 -0.65 -0.02 0.00 -1.62 0.00 0.00 43.42 41.60 3k1q n LEU 471 CO 0.61 -0.68 1.29 -0.13 -1.22 0.00 0.00 177.39 177.26 3k1q s ARG 472 N -3.25 3.55 0.00 3.23 1.81 -1.26 -4.60 118.95 118.43 3k1q s ARG 472 Ca -0.00 1.07 0.00 0.00 -1.72 0.00 0.00 55.73 55.07 3k1q s ARG 472 Cb 0.04 -4.05 0.00 0.00 -0.45 0.00 0.00 34.95 30.49 3k1q s ARG 472 CO 0.13 -1.59 0.00 -1.91 -0.68 0.00 0.00 175.30 171.24 3k1q n GLU 473 N 8.10 0.00 -2.70 3.54 2.13 -1.26 -4.95 120.64 125.49 3k1q n GLU 473 Ca 0.18 0.35 -0.41 0.00 0.66 0.00 0.00 57.16 57.94 3k1q n GLU 473 Cb 0.48 -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 4.43 0.06 6.31 -4.23 -1.25 -4.75 115.64 115.86 3k1q s THR 474 Ca 0.00 2.02 -0.31 0.00 -1.18 0.00 0.00 61.69 62.22 3k1q s THR 474 Cb 0.00 -4.29 -0.08 0.00 1.34 0.00 0.00 72.50 69.47 3k1q s THR 474 CO 0.00 0.31 1.55 -0.89 -0.54 0.00 0.00 174.62 175.05 3k1q s THR 475 N 0.00 3.21 -0.77 3.99 2.01 -0.44 -4.34 115.64 119.30 3k1q s THR 475 Ca 0.47 0.69 -0.15 0.00 0.31 0.00 0.00 61.69 63.02 3k1q s THR 475 Cb -0.24 -3.44 0.19 0.00 0.01 0.00 0.00 72.50 69.02 3k1q s THR 475 CO 0.30 0.01 0.74 -0.47 -0.69 0.00 0.00 174.62 174.52 3k1q s TYR 476 N 2.29 3.59 -0.68 4.92 5.04 -0.67 -1.96 117.35 129.88 3k1q s TYR 476 Ca 0.70 -1.78 -0.05 0.00 -2.44 0.00 0.00 57.07 53.50 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 0.30 -1.05 0.66 1.63 -1.34 0.00 0.00 175.55 175.76 3k1q n LYS 477 N 4.49 -1.59 0.00 4.97 5.02 -1.26 -1.25 118.16 128.53 3k1q n LYS 477 Ca 0.09 1.47 0.00 0.00 -2.02 0.00 0.00 58.31 57.85 3k1q n LYS 477 Cb 0.46 -4.90 0.00 0.00 -0.02 0.00 0.00 35.03 30.56 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 -1.40 1.17 3.51 0.72 0.00 -1.26 -4.93 105.19 103.00 3k1q n GLY 478 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 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 3.29 -0.88 1.61 2.02 -0.38 -4.95 118.70 119.41 3k1q s GLU 479 Ca 0.00 -0.80 -0.26 0.00 0.02 0.00 0.00 54.97 53.93 3k1q s GLU 479 Cb 0.00 -4.51 -0.14 0.00 0.10 0.00 0.00 34.13 29.58 3k1q s GLU 479 CO 0.00 -2.00 2.26 0.08 0.02 0.00 0.00 175.26 175.62 3k1q s VAL 480 N 4.64 3.11 0.10 2.63 1.01 -1.26 -1.67 120.40 128.96 3k1q s VAL 480 Ca 0.32 -0.11 0.10 0.00 0.00 0.00 0.00 61.98 62.29 3k1q s VAL 480 Cb -0.09 -3.42 -0.04 0.00 0.00 0.00 0.00 36.38 32.83 3k1q s VAL 480 CO 0.06 -0.22 -0.26 0.54 0.00 0.00 0.00 175.10 175.22 3k1q s VAL 481 N 14.29 2.30 -1.23 2.92 0.11 -1.26 -5.00 120.40 132.51 3k1q s VAL 481 Ca 0.86 -1.62 0.00 0.00 -2.93 0.00 0.00 61.98 58.29 3k1q s VAL 481 Cb -0.10 -1.98 0.00 0.00 -1.53 0.00 0.00 36.38 32.77 3k1q s VAL 481 CO 0.08 0.18 0.40 0.47 -3.33 0.00 0.00 175.10 172.90 3k1q n ASP 482 N 1.16 0.50 -4.13 3.54 8.00 -1.26 -3.79 116.55 120.57 3k1q n ASP 482 Ca -0.17 -1.30 -0.27 0.00 0.71 0.00 0.00 54.79 53.76 3k1q n ASP 482 Cb 0.53 -0.25 -0.16 0.00 -0.02 0.00 0.00 41.12 41.22 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 -1.23 1.57 -0.23 2.24 0.00 -1.26 -0.33 121.76 122.52 3k1q s ALA 483 Ca 0.00 -0.70 0.02 0.00 0.00 0.00 0.00 51.96 51.28 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 0.27 -0.12 0.42 0.00 0.00 0.00 175.76 176.33 3k1q s ILE 484 N 0.12 1.96 -0.66 0.00 -1.09 0.32 -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 57.03 3k1q s ILE 484 Cb -0.13 -2.03 0.16 0.00 -1.58 0.00 0.00 42.46 38.89 3k1q s ILE 484 CO 0.03 0.10 0.46 0.68 -1.23 0.00 0.00 174.94 174.98 3k1q s VAL 485 N 1.23 3.36 0.10 2.92 -7.23 -1.26 -2.96 120.40 116.55 3k1q s VAL 485 Ca -0.05 -3.47 -0.33 0.00 -1.81 0.00 0.00 61.98 56.33 3k1q s VAL 485 Cb -0.18 -3.20 -0.14 0.00 0.56 0.00 0.00 36.38 33.42 3k1q s VAL 485 CO -0.07 -0.92 1.59 -0.65 -0.31 0.00 0.00 175.10 174.74 3k1q h PRO 486 N 6.39 -0.78 -0.44 4.82 0.11 -1.67 -2.90 132.00 137.53 3k1q h PRO 486 Ca 0.03 0.05 0.13 0.00 0.11 0.00 0.00 66.00 66.32 3k1q h PRO 486 Cb 0.87 0.18 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 3k1q h PRO 486 CO 0.73 -0.52 0.35 0.00 -0.21 0.00 0.00 178.00 178.35 3k1q h ALA 487 N -0.44 2.32 0.00 -0.75 0.00 -1.06 -0.95 119.26 118.37 3k1q h ALA 487 Ca -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3k1q h ALA 487 Cb 0.74 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.56 3k1q h ALA 487 CO -0.09 -0.58 -0.49 1.79 0.00 0.00 0.00 179.25 179.88 3k1q h THR 488 N 0.00 0.00 -0.30 0.00 1.35 -1.68 -3.33 112.91 108.95 3k1q h THR 488 Ca 0.21 -0.99 -0.00 0.00 -0.55 0.00 0.00 66.41 65.08 3k1q h THR 488 Cb 0.92 1.74 -0.02 0.00 -1.73 0.00 0.00 68.15 69.06 3k1q h THR 488 CO -0.00 0.00 0.18 0.58 -0.25 0.00 0.00 175.52 176.03 3k1q h VAL 489 N 0.00 1.09 -1.76 6.82 2.07 -0.96 -3.43 116.25 120.08 3k1q h VAL 489 Ca 0.00 -0.20 -0.66 0.00 0.82 0.00 0.00 66.70 66.67 3k1q h VAL 489 Cb 0.99 0.66 0.09 0.00 -1.52 0.00 0.00 31.29 31.52 3k1q h VAL 489 CO 0.00 0.09 0.05 0.80 0.02 0.00 0.00 177.57 178.53 3k1q n MET 490 N -4.47 0.84 -1.32 1.57 0.00 -1.21 -1.89 117.12 110.64 3k1q n MET 490 Ca 0.01 0.30 -0.12 0.00 0.00 0.00 0.00 57.70 57.89 3k1q n MET 490 Cb 0.08 -1.66 -0.05 0.00 0.00 0.00 0.00 33.22 31.59 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 0.91 -0.18 -1.55 -5.12 0.00 -1.26 -4.77 120.51 108.54 3k1q n ALA 491 Ca 0.15 0.20 0.07 0.00 0.00 0.00 0.00 53.44 53.85 3k1q n ALA 491 Cb 0.24 -1.36 0.19 0.00 0.00 0.00 0.00 19.45 18.53 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 -0.42 1.78 -3.67 0.00 3.02 -0.79 -4.70 115.26 110.48 3k1q n ASN 492 Ca -0.12 -3.68 -0.12 0.00 -0.03 0.00 0.00 54.58 50.63 3k1q n ASN 492 Cb 0.42 -0.50 -0.12 0.00 -0.61 0.00 0.00 39.78 38.97 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 -3.03 0.21 0.49 3.52 -1.52 -1.26 -5.06 119.66 113.01 3k1q s GLN 493 Ca 0.37 0.82 -0.05 0.00 -1.95 0.00 0.00 55.36 54.54 3k1q s GLN 493 Cb 0.35 0.06 -0.04 0.00 -0.22 0.00 0.00 33.01 33.17 3k1q s GLN 493 CO -0.06 -0.26 0.79 0.95 -0.25 0.00 0.00 175.29 176.46 3k1q s THR 494 N 2.37 4.90 0.24 -0.19 -4.23 -1.26 -1.09 115.64 116.39 3k1q s THR 494 Ca -0.01 0.22 -0.06 0.00 -1.18 0.00 0.00 61.69 60.66 3k1q s THR 494 Cb -0.12 -3.87 0.24 0.00 1.34 0.00 0.00 72.50 70.09 3k1q s THR 494 CO -0.10 -0.86 1.90 0.28 -0.54 0.00 0.00 174.62 175.30 3k1q h SER 495 N 0.21 1.02 -0.90 3.99 0.02 -1.95 -0.50 113.55 115.44 3k1q h SER 495 Ca -0.47 -0.01 0.17 0.00 -0.84 0.00 0.00 61.79 60.64 3k1q h SER 495 Cb 1.20 -0.24 -0.10 0.00 0.14 0.00 0.00 62.40 63.40 3k1q h SER 495 CO 0.62 0.71 0.48 -0.08 -1.14 0.00 0.00 176.83 177.41 3k1q h GLU 496 N 1.19 0.60 -0.06 3.45 4.22 -1.99 -0.22 114.58 121.77 3k1q h GLU 496 Ca 0.37 -0.04 -0.02 0.00 0.08 0.00 0.00 59.36 59.75 3k1q h GLU 496 Cb -0.02 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.09 3k1q h GLU 496 CO -0.11 0.40 -0.03 0.93 -2.18 0.00 0.00 179.01 178.01 3k1q h GLU 497 N 0.62 0.13 -0.05 1.92 5.08 -1.43 -1.03 114.58 119.81 3k1q h GLU 497 Ca 0.52 -0.06 0.04 0.00 -1.00 0.00 0.00 59.36 58.86 3k1q h GLU 497 Cb 0.81 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.00 3k1q h GLU 497 CO -0.40 0.52 -0.26 0.28 -1.00 0.00 0.00 179.01 178.15 3k1q h VAL 498 N -0.27 0.40 -0.72 3.13 2.07 -1.00 0.47 116.25 120.33 3k1q h VAL 498 Ca 0.01 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.63 3k1q h VAL 498 Cb 0.49 0.40 -0.08 0.00 -1.52 0.00 0.00 31.29 30.58 3k1q h VAL 498 CO 0.01 0.00 0.35 0.00 0.02 0.00 0.00 177.57 177.95 3k1q h ALA 499 N 0.49 1.00 -0.74 1.67 0.00 -0.96 -2.59 119.26 118.14 3k1q h ALA 499 Ca 0.08 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 3k1q h ALA 499 Cb 0.48 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 3k1q h ALA 499 CO -0.26 -0.07 0.44 0.66 0.00 0.00 0.00 179.25 180.02 3k1q h SER 500 N 0.58 0.89 -1.75 0.00 4.64 -0.27 -3.48 113.55 114.16 3k1q h SER 500 Ca 0.36 -0.07 -0.64 0.00 -0.47 0.00 0.00 61.79 60.98 3k1q h SER 500 Cb 0.41 -0.22 0.11 0.00 -0.31 0.00 0.00 62.40 62.39 3k1q h SER 500 CO -0.29 0.69 -0.21 0.00 -0.87 0.00 0.00 176.83 176.15 3k1q n ALA 501 N -2.33 -1.56 -1.75 5.18 0.00 0.16 -4.94 120.51 115.26 3k1q n ALA 501 Ca 0.07 0.41 -0.38 0.00 0.00 0.00 0.00 53.44 53.53 3k1q n ALA 501 Cb 0.06 -1.81 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 1.74 3.81 0.38 0.00 1.43 -1.26 -4.91 118.68 119.88 3k1q s LEU 502 Ca 0.61 2.70 0.22 0.00 -1.03 0.00 0.00 54.13 56.64 3k1q s LEU 502 Cb -0.81 -4.33 1.30 0.00 0.03 0.00 0.00 46.19 42.38 3k1q s LEU 502 CO 0.58 -1.60 1.62 0.00 0.23 0.00 0.00 176.35 177.18 3k1q h ALA 503 N 1.34 2.30 0.00 4.21 0.00 -1.92 -0.80 119.26 124.39 3k1q h ALA 503 Ca -0.51 0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3k1q h ALA 503 Cb 1.30 0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.33 3k1q h ALA 503 CO 0.57 -0.99 0.00 -1.71 0.00 0.00 0.00 179.25 177.12 3k1q n ASN 504 N -5.01 1.21 -4.18 0.00 2.85 -1.26 -4.83 115.26 104.04 3k1q n ASN 504 Ca 0.36 -1.39 -0.31 0.00 -0.11 0.00 0.00 54.58 53.13 3k1q n ASN 504 Cb 1.25 -0.35 -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 0.18 2.93 0.00 1.20 -1.08 -0.31 -1.33 116.67 118.26 3k1q s ASP 505 Ca 0.00 -0.53 0.00 0.00 -0.52 0.00 0.00 52.55 51.50 3k1q s ASP 505 Cb 0.00 -1.34 0.00 0.00 -1.46 0.00 0.00 42.92 40.12 3k1q s ASP 505 CO 0.00 0.13 0.00 0.00 0.52 0.00 0.00 175.17 175.82 3k1q n ALA 506 N 3.68 0.00 -0.35 3.66 0.00 -0.83 -1.19 120.51 125.48 3k1q n ALA 506 Ca -0.20 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.18 3k1q n ALA 506 Cb 0.53 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.93 3k1q n ALA 506 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 3k1q n ILE 507 N -3.74 -0.54 0.17 0.00 -0.00 -1.26 -1.34 119.36 112.64 3k1q n ILE 507 Ca 0.00 2.05 0.03 0.00 -0.00 0.00 0.00 62.75 64.83 3k1q n ILE 507 Cb 0.00 -2.58 0.25 0.00 -0.00 0.00 0.00 39.64 37.31 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 1.03 -0.51 7.28 -1.51 -1.47 -2.21 116.25 118.86 3k1q h VAL 508 Ca 0.19 -1.80 -0.06 0.00 -1.23 0.00 0.00 66.70 63.81 3k1q h VAL 508 Cb 0.40 2.06 -0.02 0.00 -2.13 0.00 0.00 31.29 31.61 3k1q h VAL 508 CO -0.82 0.46 0.09 -0.07 -1.23 0.00 0.00 177.57 176.00 3k1q h LEU 509 N 0.00 0.80 0.08 4.19 3.38 -1.34 -0.73 115.31 121.70 3k1q h LEU 509 Ca -0.00 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 57.71 3k1q h LEU 509 Cb 1.03 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.56 3k1q h LEU 509 CO 0.06 0.85 -0.04 0.58 0.09 0.00 0.00 178.44 179.98 3k1q h VAL 510 N 0.72 1.06 -0.70 1.22 2.07 -1.25 -1.36 116.25 118.01 3k1q h VAL 510 Ca 0.16 -0.53 0.08 0.00 0.82 0.00 0.00 66.70 67.23 3k1q h VAL 510 Cb 0.38 1.40 -0.07 0.00 -1.52 0.00 0.00 31.29 31.49 3k1q h VAL 510 CO 0.01 0.13 0.36 -1.28 0.02 0.00 0.00 177.57 176.81 3k1q h SER 511 N -0.35 0.49 -0.76 0.57 0.87 -1.25 0.46 113.55 113.58 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 0.30 -0.04 -0.06 0.00 -0.44 0.00 0.00 62.40 62.16 3k1q h SER 511 CO 0.02 0.30 0.43 0.78 -0.53 0.00 0.00 176.83 177.83 3k1q h ASN 512 N 0.63 0.64 -0.01 6.23 4.21 -0.06 0.65 115.58 127.87 3k1q h ASN 512 Ca 0.33 0.04 -0.00 0.00 1.21 0.00 0.00 56.30 57.88 3k1q h ASN 512 Cb 0.30 -0.09 -0.00 0.00 -1.12 0.00 0.00 38.32 37.41 3k1q h ASN 512 CO -0.24 0.39 0.00 0.45 -1.29 0.00 0.00 177.43 176.75 3k1q h HIS 513 N 0.77 0.01 -0.88 1.19 3.86 -0.57 -3.12 115.15 116.41 3k1q h HIS 513 Ca 0.35 -0.00 0.25 0.00 -1.16 0.00 0.00 60.37 59.81 3k1q h HIS 513 Cb 0.26 -0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.68 3k1q h HIS 513 CO -0.07 0.10 0.63 -0.07 0.86 0.00 0.00 177.93 179.38 3k1q h LEU 514 N -0.09 0.04 -0.58 2.43 3.38 0.01 -1.84 115.31 118.66 3k1q h LEU 514 Ca 0.00 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 3k1q h LEU 514 Cb 0.09 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3k1q h LEU 514 CO -0.00 0.01 -0.43 0.78 0.09 0.00 0.00 178.44 178.89 3k1q h ASN 515 N 0.04 0.68 -0.71 -0.43 4.21 0.33 -1.04 115.58 118.67 3k1q h ASN 515 Ca 0.42 -0.32 -0.07 0.00 1.21 0.00 0.00 56.30 57.54 3k1q h ASN 515 Cb 1.62 -0.19 -0.03 0.00 -1.12 0.00 0.00 38.32 38.60 3k1q h ASN 515 CO -0.02 1.02 0.18 0.11 -1.29 0.00 0.00 177.43 177.43 3k1q h LYS 516 N 0.52 1.14 -0.02 0.81 1.57 -1.36 -0.66 116.57 118.56 3k1q h LYS 516 Ca 0.04 -0.27 0.02 0.00 -1.87 0.00 0.00 60.65 58.57 3k1q h LYS 516 Cb 0.96 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 33.09 3k1q h LYS 516 CO 0.09 1.00 -0.11 1.25 -0.57 0.00 0.00 179.45 181.10 3k1q h LEU 517 N 1.08 -0.33 -0.85 2.94 5.85 -1.39 -1.88 115.31 120.73 3k1q h LEU 517 Ca 0.23 0.05 0.17 0.00 0.84 0.00 0.00 57.88 59.17 3k1q h LEU 517 Cb 0.36 0.15 -0.11 0.00 0.37 0.00 0.00 40.66 41.43 3k1q h LEU 517 CO 0.00 -0.16 0.39 0.00 -0.34 0.00 0.00 178.44 178.33 3k1q h ALA 518 N 0.81 1.28 -0.59 1.25 0.00 -0.69 -1.60 119.26 119.73 3k1q h ALA 518 Ca 0.05 0.12 0.08 0.00 0.00 0.00 0.00 54.91 55.16 3k1q h ALA 518 Cb 0.25 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.05 3k1q h ALA 518 CO -0.13 -0.22 0.26 -0.97 0.00 0.00 0.00 179.25 178.19 3k1q h ASN 519 N 0.49 0.31 0.02 0.00 -1.24 -0.39 0.37 115.58 115.15 3k1q h ASN 519 Ca 0.49 0.06 -0.00 0.00 0.71 0.00 0.00 56.30 57.55 3k1q h ASN 519 Cb 0.80 0.01 0.00 0.00 0.73 0.00 0.00 38.32 39.86 3k1q h ASN 519 CO -0.44 0.20 -0.01 0.58 -1.29 0.00 0.00 177.43 176.47 3k1q h VAL 520 N 0.47 1.00 -0.44 2.57 2.07 -0.60 -2.58 116.25 118.75 3k1q h VAL 520 Ca 0.28 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.73 3k1q h VAL 520 Cb 0.29 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 3k1q h VAL 520 CO -0.25 0.02 0.25 0.58 0.02 0.00 0.00 177.57 178.19 3k1q h VAL 521 N -0.06 1.15 -0.40 2.57 2.07 -0.28 -1.21 116.25 120.08 3k1q h VAL 521 Ca -0.00 -0.37 -0.10 0.00 0.82 0.00 0.00 66.70 67.05 3k1q h VAL 521 Cb 0.05 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 3k1q h VAL 521 CO 0.01 0.15 -0.17 1.23 0.02 0.00 0.00 177.57 178.81 3k1q h GLY 522 N 0.57 0.82 1.71 2.17 0.00 -0.77 0.30 103.07 107.87 3k1q h GLY 522 Ca 0.15 -0.66 -0.22 0.00 0.00 0.00 0.00 47.33 46.61 3k1q h GLY 522 CO -0.03 0.60 -0.95 -0.55 0.00 0.00 0.00 176.54 175.61 3k1q h ASP 523 N 0.68 0.34 0.00 0.19 3.32 -1.42 -3.36 116.42 116.17 3k1q h ASP 523 Ca 0.11 -0.29 -0.33 0.00 0.02 0.00 0.00 57.03 56.53 3k1q h ASP 523 Cb 0.66 -0.11 -0.06 0.00 0.22 0.00 0.00 39.33 40.04 3k1q h ASP 523 CO 0.05 1.12 -2.25 0.00 -1.72 0.00 0.00 179.24 176.44 3k1q n ALA 524 N -2.49 1.53 -2.80 3.45 0.00 -0.46 -5.00 120.51 114.73 3k1q n ALA 524 Ca -0.05 -0.93 -0.36 0.00 0.00 0.00 0.00 53.44 52.10 3k1q n ALA 524 Cb 0.85 0.01 -0.08 0.00 0.00 0.00 0.00 19.45 20.23 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 -2.44 5.00 -1.45 0.00 1.09 0.10 -4.82 121.20 118.69 3k1q s ILE 525 Ca -0.30 0.03 -0.14 0.00 -1.10 0.00 0.00 60.65 59.14 3k1q s ILE 525 Cb 0.08 -3.20 0.04 0.00 -1.06 0.00 0.00 42.46 38.33 3k1q s ILE 525 CO 0.50 0.55 2.22 -0.81 -0.10 0.00 0.00 174.94 177.30 3k1q n PRO 526 N 2.64 2.91 -0.94 2.79 -0.04 -1.26 -4.40 135.00 136.69 3k1q n PRO 526 Ca -0.18 -2.64 -0.10 0.00 -0.04 0.00 0.00 63.50 60.54 3k1q n PRO 526 Cb 0.54 -3.26 0.23 0.00 -0.04 0.00 0.00 33.50 30.97 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 4.98 2.68 0.00 0.52 0.24 -1.26 -4.40 118.33 121.09 3k1q n VAL 527 Ca 0.52 -1.46 0.00 0.00 -2.04 0.00 0.00 64.34 61.36 3k1q n VAL 527 Cb 0.39 -0.45 0.00 0.00 -1.47 0.00 0.00 33.84 32.30 3k1q n VAL 527 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3k1q n ALA 528 N -0.32 0.00 -0.09 2.33 0.00 -1.26 -4.86 120.51 116.30 3k1q n ALA 528 Ca 0.40 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.82 3k1q n ALA 528 Cb 1.33 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 -1.80 0.00 0.00 1.01 0.00 0.00 58.87 58.08 3k1q n SER 529 Cb 0.00 -0.34 0.00 0.00 -1.01 0.00 0.00 64.21 62.86 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 3.89 0.00 -2.48 1.43 1.85 -1.26 -4.93 116.66 115.16 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 -2.00 3.77 -0.47 8.89 -4.23 -1.22 -4.95 115.64 115.42 3k1q s THR 531 Ca 0.00 -0.26 -0.29 0.00 -1.18 0.00 0.00 61.69 59.96 3k1q s THR 531 Cb 0.00 -4.85 0.03 0.00 1.34 0.00 0.00 72.50 69.02 3k1q s THR 531 CO 0.00 -1.76 1.17 -0.62 -0.54 0.00 0.00 174.62 172.87 3k1q s ASP 532 N 5.00 6.60 -0.12 3.99 2.15 -1.26 -4.52 116.67 128.51 3k1q s ASP 532 Ca 0.46 0.50 -0.02 0.00 0.43 0.00 0.00 52.55 53.92 3k1q s ASP 532 Cb -0.04 -2.55 -0.03 0.00 -0.30 0.00 0.00 42.92 40.00 3k1q s ASP 532 CO 0.01 -1.28 -0.04 -0.62 -0.17 0.00 0.00 175.17 173.08 3k1q s ASP 533 N 2.64 4.83 0.35 -0.34 2.15 -1.26 -5.04 116.67 119.99 3k1q s ASP 533 Ca 0.50 -0.05 0.31 0.00 0.43 0.00 0.00 52.55 53.73 3k1q s ASP 533 Cb -0.08 -1.57 1.08 0.00 -0.30 0.00 0.00 42.92 42.06 3k1q s ASP 533 CO 0.32 0.26 0.97 -1.54 -0.17 0.00 0.00 175.17 175.01 3k1q n SER 534 N 2.94 0.00 -0.36 -0.34 3.41 -1.26 -0.13 113.62 117.89 3k1q n SER 534 Ca -0.18 0.63 0.29 0.00 -0.26 0.00 0.00 58.87 59.35 3k1q n SER 534 Cb 0.53 -0.31 0.54 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 0.63 2.23 0.00 7.33 0.00 -1.99 -2.29 119.26 125.16 3k1q h ALA 535 Ca 0.59 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.67 3k1q h ALA 535 Cb 2.35 0.19 0.00 0.00 0.00 0.00 0.00 17.79 20.33 3k1q h ALA 535 CO -0.02 -0.86 0.00 0.25 0.00 0.00 0.00 179.25 178.63 3k1q n THR 536 N -4.95 0.00 0.32 0.00 -2.24 0.82 -4.19 114.28 104.05 3k1q n THR 536 Ca 0.34 0.00 0.21 0.00 -2.27 0.00 0.00 64.05 62.33 3k1q n THR 536 Cb 1.15 -0.55 1.05 0.00 -2.10 0.00 0.00 70.33 69.88 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 0.09 3.42 4.64 -1.62 -3.15 113.55 116.94 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 -0.04 0.00 -0.87 0.00 0.00 176.83 175.92 3k1q h ALA 538 N 2.00 -0.12 -0.36 5.18 0.00 -1.86 0.16 119.26 124.26 3k1q h ALA 538 Ca 0.00 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 3k1q h ALA 538 Cb 0.16 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3k1q h ALA 538 CO 0.00 -0.51 -0.08 -0.84 0.00 0.00 0.00 179.25 177.83 3k1q h ILE 539 N -0.25 1.23 -0.23 0.00 3.07 -1.85 -2.73 117.51 116.75 3k1q h ILE 539 Ca -0.01 -1.00 -0.16 0.00 1.55 0.00 0.00 64.86 65.24 3k1q h ILE 539 Cb 0.21 1.05 -0.01 0.00 -0.27 0.00 0.00 36.82 37.80 3k1q h ILE 539 CO 0.02 0.34 -0.51 0.58 -1.05 0.00 0.00 178.15 177.53 3k1q h VAL 540 N 0.56 1.31 -0.55 0.16 2.07 -1.01 -1.43 116.25 117.35 3k1q h VAL 540 Ca 0.11 -1.72 -0.04 0.00 0.82 0.00 0.00 66.70 65.87 3k1q h VAL 540 Cb 0.47 1.67 -0.03 0.00 -1.52 0.00 0.00 31.29 31.89 3k1q h VAL 540 CO 0.03 0.54 0.19 0.28 0.02 0.00 0.00 177.57 178.63 3k1q h SER 541 N 0.50 0.75 -0.39 0.57 0.02 -0.50 0.85 113.55 115.34 3k1q h SER 541 Ca 0.02 -0.11 -0.06 0.00 -0.84 0.00 0.00 61.79 60.80 3k1q h SER 541 Cb 1.06 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.39 3k1q h SER 541 CO 0.10 0.70 0.00 -0.09 -1.14 0.00 0.00 176.83 176.40 3k1q h ARG 542 N 0.80 0.70 -0.67 3.45 9.65 -1.36 -2.82 114.38 124.12 3k1q h ARG 542 Ca 0.18 -0.22 0.01 0.00 -1.10 0.00 0.00 59.98 58.85 3k1q h ARG 542 Cb 0.21 -0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 28.69 3k1q h ARG 542 CO -0.01 0.78 0.44 -0.07 2.80 0.00 0.00 179.97 183.92 3k1q h LEU 543 N 0.52 0.77 -0.94 3.80 3.38 -0.04 -1.62 115.31 121.18 3k1q h LEU 543 Ca 0.11 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3k1q h LEU 543 Cb 0.47 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.98 3k1q h LEU 543 CO 0.02 0.56 0.60 0.00 0.09 0.00 0.00 178.44 179.71 3k1q h ALA 544 N 1.24 1.20 0.04 1.53 0.00 0.83 -1.16 119.26 122.94 3k1q h ALA 544 Ca 0.24 -0.08 -0.24 0.00 0.00 0.00 0.00 54.91 54.84 3k1q h ALA 544 Cb -0.11 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.30 3k1q h ALA 544 CO -0.05 0.62 -1.03 0.28 0.00 0.00 0.00 179.25 179.07 3k1q h VAL 545 N 1.29 1.46 -0.19 0.00 2.07 -1.32 -3.15 116.25 116.41 3k1q h VAL 545 Ca 0.34 -2.71 0.00 0.00 0.82 0.00 0.00 66.70 65.15 3k1q h VAL 545 Cb -0.11 2.61 -0.01 0.00 -1.52 0.00 0.00 31.29 32.26 3k1q h VAL 545 CO -0.07 0.80 0.12 1.56 0.02 0.00 0.00 177.57 180.00 3k1q h GLN 546 N 0.15 0.25 -0.82 1.57 4.20 -0.62 -2.84 115.11 116.99 3k1q h GLN 546 Ca -0.09 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.61 3k1q h GLN 546 Cb 1.70 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 29.42 3k1q h GLN 546 CO 0.17 0.17 0.00 1.58 -0.67 0.00 0.00 178.83 180.08 3k1q n HIS 547 N -4.51 0.00 -2.11 2.96 -0.00 -0.50 -4.55 115.22 106.51 3k1q n HIS 547 Ca -0.00 -0.06 -0.42 0.00 0.46 0.00 0.00 57.72 57.70 3k1q n HIS 547 Cb 0.08 -0.10 0.00 0.00 -0.12 0.00 0.00 29.99 29.85 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 3.72 -2.65 1.57 3.00 -1.08 -4.80 118.16 118.13 3k1q n LYS 548 Ca 0.00 -3.30 -0.43 0.00 -0.00 0.00 0.00 58.31 54.58 3k1q n LYS 548 Cb 0.21 -2.91 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 1.28 0.00 0.00 0.00 177.40 178.68 3k1q n LEU 549 N 3.72 5.03 -4.83 3.14 4.32 -1.26 -4.96 117.00 122.15 3k1q n LEU 549 Ca 0.48 -4.05 -0.36 0.00 -0.02 0.00 0.00 56.01 52.06 3k1q n LEU 549 Cb 0.33 -1.72 -0.07 0.00 -1.62 0.00 0.00 43.42 40.35 3k1q n LEU 549 CO 0.81 0.29 -0.19 -0.55 -1.22 0.00 0.00 177.39 176.53 3k1q s SER 550 N 3.89 6.22 0.00 -1.43 0.15 -1.26 -3.03 113.70 118.23 3k1q s SER 550 Ca 0.51 0.40 0.00 0.00 0.70 0.00 0.00 55.95 57.56 3k1q s SER 550 Cb 0.03 -2.00 0.00 0.00 -1.71 0.00 0.00 66.02 62.33 3k1q s SER 550 CO 0.06 0.38 0.00 0.00 1.20 0.00 0.00 173.24 174.88 3k1q n GLN 551 N 2.20 3.66 -3.73 5.44 3.00 -1.26 -5.01 117.38 121.68 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 -0.07 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 2.72 5.41 0.00 5.09 -7.23 -1.26 -4.72 120.40 120.42 3k1q s VAL 552 Ca 0.00 0.26 0.00 0.00 -1.81 0.00 0.00 61.98 60.43 3k1q s VAL 552 Cb 0.00 -3.48 0.00 0.00 0.56 0.00 0.00 36.38 33.46 3k1q s VAL 552 CO 0.00 0.48 0.00 0.61 -0.31 0.00 0.00 175.10 175.88 3k1q n GLY 553 N 3.12 1.79 3.50 2.32 0.00 -1.26 -4.54 105.19 110.12 3k1q n GLY 553 Ca -0.16 -0.39 -0.42 0.00 0.00 0.00 0.00 46.02 45.04 3k1q n GLY 553 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3k1q s GLN 554 N 0.00 3.57 1.14 1.61 0.74 -1.26 -5.02 119.66 120.45 3k1q s GLN 554 Ca 0.00 -1.41 -0.14 0.00 0.05 0.00 0.00 55.36 53.85 3k1q s GLN 554 Cb 0.00 -5.09 0.26 0.00 1.10 0.00 0.00 33.01 29.28 3k1q s GLN 554 CO 0.00 -1.98 1.05 0.00 -0.55 0.00 0.00 175.29 173.81 3k1q s ALA 555 N 3.83 0.11 -0.53 1.58 0.00 -1.26 -4.82 121.76 120.66 3k1q s ALA 555 Ca 0.39 -0.41 -0.40 0.00 0.00 0.00 0.00 51.96 51.53 3k1q s ALA 555 Cb -0.03 -3.12 -0.17 0.00 0.00 0.00 0.00 23.12 19.80 3k1q s ALA 555 CO -0.09 -3.55 2.23 0.45 0.00 0.00 0.00 175.76 174.81 3k1q n SER 556 N -4.71 1.03 -4.05 0.00 2.88 -1.17 -4.85 113.62 102.75 3k1q n SER 556 Ca 0.06 0.53 -0.43 0.00 -1.33 0.00 0.00 58.87 57.69 3k1q n SER 556 Cb 0.57 -1.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.03 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 7.83 3.47 -3.12 -1.46 -0.04 -1.26 -4.93 135.00 135.49 3k1q n PRO 557 Ca 0.53 -3.53 -0.45 0.00 -0.04 0.00 0.00 63.50 60.01 3k1q n PRO 557 Cb 0.04 -3.01 -0.05 0.00 -0.04 0.00 0.00 33.50 30.45 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 1.11 4.83 -0.20 0.52 2.01 -1.26 -5.02 115.64 117.62 3k1q s THR 558 Ca 0.42 -0.99 -0.37 0.00 0.31 0.00 0.00 61.69 61.06 3k1q s THR 558 Cb 0.06 -4.48 -0.13 0.00 0.01 0.00 0.00 72.50 67.96 3k1q s THR 558 CO -0.00 -1.11 1.86 -2.65 -0.69 0.00 0.00 174.62 172.03 3k1q n PRO 559 N 6.30 1.63 -0.60 4.92 -0.02 -1.26 -4.60 135.00 141.37 3k1q n PRO 559 Ca -0.10 0.59 -0.22 0.00 -2.02 0.00 0.00 63.50 61.75 3k1q n PRO 559 Cb 0.42 -2.40 -0.02 0.00 -0.02 0.00 0.00 33.50 31.48 3k1q n PRO 559 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3k1q n PRO 560 N 6.31 0.00 0.29 0.52 -0.02 -1.26 -4.68 135.00 136.15 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 0.22 -0.51 0.00 0.00 -0.02 0.00 0.00 33.50 33.19 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 0.73 0.00 -0.07 2.55 8.00 -1.26 -3.61 116.55 122.89 3k1q n ASP 561 Ca 0.08 0.44 -0.09 0.00 0.71 0.00 0.00 54.79 55.92 3k1q n ASP 561 Cb 0.07 0.00 0.05 0.00 -0.02 0.00 0.00 41.12 41.22 3k1q n ASP 561 CO 0.00 0.00 0.00 1.88 -0.39 0.00 0.00 177.20 178.69 3k1q h TYR 562 N 0.00 0.90 0.00 1.24 -1.99 -1.98 -1.03 116.97 114.12 3k1q h TYR 562 Ca 0.00 -0.25 0.00 0.00 2.00 0.00 0.00 58.73 60.48 3k1q h TYR 562 Cb 1.79 -0.20 0.00 0.00 2.00 0.00 0.00 36.73 40.32 3k1q h TYR 562 CO 0.00 1.00 -0.12 -1.00 -0.00 0.00 0.00 178.16 178.04 3k1q h PRO 563 N 0.64 0.00 0.00 4.88 0.13 -1.90 -3.40 132.00 132.36 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 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 3k1q h PRO 563 CO 0.08 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.13 3k1q n LEU 564 N -4.49 0.00 0.02 1.56 4.77 -1.22 -1.22 117.00 116.41 3k1q n LEU 564 Ca -0.02 0.86 -0.04 0.00 -0.03 0.00 0.00 56.01 56.79 3k1q n LEU 564 Cb 0.06 -0.39 0.19 0.00 -2.33 0.00 0.00 43.42 40.95 3k1q n LEU 564 CO 0.02 -0.39 0.70 -0.07 -1.33 0.00 0.00 177.39 176.33 3k1q h LEU 565 N 0.00 0.48 -0.30 2.23 4.07 -1.52 -2.59 115.31 117.68 3k1q h LEU 565 Ca 0.00 -0.17 0.05 0.00 0.08 0.00 0.00 57.88 57.83 3k1q h LEU 565 Cb 0.00 -0.13 -0.04 0.00 1.08 0.00 0.00 40.66 41.56 3k1q h LEU 565 CO 0.00 0.76 0.02 -0.25 -1.08 0.00 0.00 178.44 177.89 3k1q h TRP 566 N 0.42 0.03 -0.34 1.13 2.91 -1.30 0.28 115.95 119.09 3k1q h TRP 566 Ca 0.06 0.02 -0.17 0.00 1.13 0.00 0.00 58.89 59.92 3k1q h TRP 566 Cb 0.72 0.03 -0.00 0.00 -0.51 0.00 0.00 29.16 29.40 3k1q h TRP 566 CO 0.02 -0.02 -0.47 0.00 -1.03 0.00 0.00 178.44 176.95 3k1q h ARG 567 N 0.12 0.91 -0.94 2.65 3.08 -0.79 -1.24 114.38 118.17 3k1q h ARG 567 Ca 0.14 -0.52 0.09 0.00 0.07 0.00 0.00 59.98 59.76 3k1q h ARG 567 Cb 0.18 0.04 -0.07 0.00 0.08 0.00 0.00 29.97 30.19 3k1q h ARG 567 CO -0.22 1.17 0.58 0.00 -1.07 0.00 0.00 179.97 180.43 3k1q h ARG 568 N 0.72 0.97 -0.10 0.04 3.08 -1.25 -1.66 114.38 116.18 3k1q h ARG 568 Ca 0.04 -0.06 -0.18 0.00 0.07 0.00 0.00 59.98 59.85 3k1q h ARG 568 Cb 1.07 -0.22 -0.00 0.00 0.08 0.00 0.00 29.97 30.89 3k1q h ARG 568 CO 0.11 0.64 -0.70 0.00 -1.07 0.00 0.00 179.97 178.95 3k1q h ALA 569 N 1.47 0.61 -0.06 0.04 0.00 -0.26 -1.92 119.26 119.14 3k1q h ALA 569 Ca 0.44 -0.59 0.01 0.00 0.00 0.00 0.00 54.91 54.77 3k1q h ALA 569 Cb 0.31 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3k1q h ALA 569 CO -0.22 0.75 -0.02 -0.22 0.00 0.00 0.00 179.25 179.54 3k1q h LYS 570 N 0.31 -0.01 -0.70 0.00 1.63 -0.35 0.63 116.57 118.08 3k1q h LYS 570 Ca -0.03 0.00 0.12 0.00 -0.85 0.00 0.00 60.65 59.90 3k1q h LYS 570 Cb 1.27 0.00 -0.13 0.00 -0.60 0.00 0.00 32.23 32.77 3k1q h LYS 570 CO 0.12 -0.01 -0.30 0.00 -3.45 0.00 0.00 179.45 175.81 3k1q h ARG 571 N -0.01 -0.09 -0.21 1.90 3.08 -1.11 0.72 114.38 118.65 3k1q h ARG 571 Ca 0.03 0.01 -0.13 0.00 0.07 0.00 0.00 59.98 59.96 3k1q h ARG 571 Cb 0.05 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 3k1q h ARG 571 CO -0.06 -0.06 -0.41 0.00 -1.07 0.00 0.00 179.97 178.36 3k1q h ALA 572 N 1.26 0.90 -0.58 0.04 0.00 -1.33 -1.16 119.26 118.38 3k1q h ALA 572 Ca 0.29 -0.44 0.10 0.00 0.00 0.00 0.00 54.91 54.86 3k1q h ALA 572 Cb 0.56 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 18.17 3k1q h ALA 572 CO -0.75 0.64 0.18 0.00 0.00 0.00 0.00 179.25 179.31 3k1q h ALA 573 N 1.15 0.72 0.04 0.00 0.00 -0.05 -0.06 119.26 121.06 3k1q h ALA 573 Ca 0.03 0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.05 3k1q h ALA 573 Cb 0.89 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 3k1q h ALA 573 CO 0.08 -0.25 -0.09 1.03 0.00 0.00 0.00 179.25 180.02 3k1q h SER 574 N 0.33 -0.25 -0.57 0.00 0.87 -0.75 0.15 113.55 113.34 3k1q h SER 574 Ca 0.30 0.03 0.09 0.00 -1.23 0.00 0.00 61.79 60.98 3k1q h SER 574 Cb 0.40 0.10 -0.07 0.00 -0.44 0.00 0.00 62.40 62.39 3k1q h SER 574 CO -0.34 -0.13 0.20 0.24 -0.53 0.00 0.00 176.83 176.27 3k1q h MET 575 N -0.18 0.37 -0.56 2.24 2.86 -1.06 -0.88 114.93 117.72 3k1q h MET 575 Ca 0.02 -0.02 0.09 0.00 -2.06 0.00 0.00 59.70 57.73 3k1q h MET 575 Cb 0.20 -0.08 -0.07 0.00 0.06 0.00 0.00 31.60 31.70 3k1q h MET 575 CO -0.06 0.24 0.15 0.35 1.06 0.00 0.00 176.91 178.65 3k1q h PHE 576 N 0.38 0.25 -0.10 -0.22 3.57 -0.25 -2.87 116.94 117.70 3k1q h PHE 576 Ca 0.29 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.82 3k1q h PHE 576 Cb 0.35 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 3k1q h PHE 576 CO -0.17 0.03 0.06 0.28 -2.23 0.00 0.00 178.31 176.27 3k1q h VAL 577 N 0.30 1.01 -0.27 1.41 2.07 -0.57 -1.57 116.25 118.63 3k1q h VAL 577 Ca 0.28 -0.04 0.07 0.00 0.82 0.00 0.00 66.70 67.83 3k1q h VAL 577 Cb 0.38 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 3k1q h VAL 577 CO -0.33 0.02 0.20 0.77 0.02 0.00 0.00 177.57 178.25 3k1q h SER 578 N 0.13 0.03 -1.60 0.57 4.64 -1.24 -3.39 113.55 112.68 3k1q h SER 578 Ca 0.04 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.23 3k1q h SER 578 Cb -0.01 -0.01 -0.27 0.00 -0.31 0.00 0.00 62.40 61.81 3k1q h SER 578 CO -0.02 0.02 -0.48 0.21 -0.87 0.00 0.00 176.83 175.68 3k1q s ASN 579 N -6.64 -0.04 0.41 4.97 3.84 -1.08 -5.06 114.94 111.34 3k1q s ASN 579 Ca -0.05 -0.08 0.18 0.00 0.21 0.00 0.00 52.86 53.11 3k1q s ASN 579 Cb 0.18 1.31 1.08 0.00 -0.55 0.00 0.00 41.25 43.27 3k1q s ASN 579 CO 0.70 -0.33 1.83 -0.65 -2.79 0.00 0.00 177.10 175.86 3k1q h PRO 580 N 8.13 0.40 -0.49 0.43 0.11 -1.50 -2.56 132.00 136.53 3k1q h PRO 580 Ca -0.11 -0.02 0.14 0.00 0.11 0.00 0.00 66.00 66.12 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 0.36 0.66 -0.21 0.00 0.00 178.00 179.33 3k1q h SER 581 N 0.42 0.00 -0.72 -2.05 4.64 -1.93 -2.70 113.55 111.21 3k1q h SER 581 Ca 0.51 0.00 0.21 0.00 -0.47 0.00 0.00 61.79 62.04 3k1q h SER 581 Cb 1.26 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.32 3k1q h SER 581 CO -0.21 0.00 0.82 -0.07 -0.87 0.00 0.00 176.83 176.50 3k1q h LEU 582 N 0.00 0.00 -1.85 5.97 3.38 -1.80 0.05 115.31 121.05 3k1q h LEU 582 Ca 0.23 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.18 3k1q h LEU 582 Cb 0.95 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.69 3k1q h LEU 582 CO -0.00 0.00 -0.10 0.00 0.09 0.00 0.00 178.44 178.43 3k1q h ALA 583 N 1.03 1.76 0.00 1.53 0.00 -1.72 -0.11 119.26 121.75 3k1q h ALA 583 Ca 0.34 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3k1q h ALA 583 Cb 1.99 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.76 3k1q h ALA 583 CO -0.00 0.12 -1.05 1.28 0.00 0.00 0.00 179.25 179.60 3k1q n LEU 584 N -4.31 0.62 -4.60 0.00 4.77 -0.02 -4.63 117.00 108.83 3k1q n LEU 584 Ca -0.03 -0.07 -0.42 0.00 -0.03 0.00 0.00 56.01 55.47 3k1q n LEU 584 Cb 0.18 -0.09 -0.06 0.00 -2.33 0.00 0.00 43.42 41.12 3k1q n LEU 584 CO 0.34 0.07 0.50 -1.10 -1.33 0.00 0.00 177.39 175.87 3k1q s GLN 585 N -3.18 3.88 0.11 3.23 -0.21 -0.06 -4.18 119.66 119.25 3k1q s GLN 585 Ca 0.04 0.40 -0.27 0.00 0.02 0.00 0.00 55.36 55.55 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 0.81 -0.68 0.58 1.55 -2.12 0.00 0.00 175.29 175.43 3k1q n VAL 586 N 5.54 1.15 -2.57 1.09 3.14 -0.25 -3.87 118.33 122.55 3k1q n VAL 586 Ca 0.02 -0.29 -0.02 0.00 -2.96 0.00 0.00 64.34 61.09 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 1.54 0.82 3.49 7.55 0.00 -1.26 -4.97 105.19 112.36 3k1q n GLY 587 Ca 0.16 -0.61 -0.37 0.00 0.00 0.00 0.00 46.02 45.20 3k1q n GLY 587 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3k1q s ILE 588 N -3.00 4.52 0.00 -0.61 -1.09 -1.25 -5.03 121.20 114.74 3k1q s ILE 588 Ca 0.05 -0.10 0.00 0.00 -2.23 0.00 0.00 60.65 58.36 3k1q s ILE 588 Cb -0.02 -3.11 0.00 0.00 -1.58 0.00 0.00 42.46 37.75 3k1q s ILE 588 CO 0.06 0.34 0.60 -2.65 -1.23 0.00 0.00 174.94 172.05 3k1q n PRO 589 N 4.80 0.00 -0.01 2.79 -0.02 -1.26 -2.81 135.00 138.49 3k1q n PRO 589 Ca -0.16 0.60 0.06 0.00 -2.02 0.00 0.00 63.50 61.98 3k1q n PRO 589 Cb 0.52 -0.94 -0.11 0.00 -0.02 0.00 0.00 33.50 32.95 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 -2.22 0.07 0.21 -1.45 0.24 -1.26 -4.68 118.33 109.23 3k1q n VAL 590 Ca 0.00 -0.34 0.07 0.00 -2.04 0.00 0.00 64.34 62.03 3k1q n VAL 590 Cb 0.00 0.12 0.47 0.00 -1.47 0.00 0.00 33.84 32.96 3k1q n VAL 590 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 3k1q h LEU 591 N 0.00 0.00 -1.53 1.34 3.38 -1.95 -2.22 115.31 114.32 3k1q h LEU 591 Ca -0.03 0.00 0.43 0.00 0.09 0.00 0.00 57.88 58.37 3k1q h LEU 591 Cb 0.73 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.42 3k1q h LEU 591 CO 0.00 0.28 1.30 0.71 0.09 0.00 0.00 178.44 180.83 3k1q h THR 592 N 0.00 0.02 -2.56 0.22 1.35 -1.79 -3.33 112.91 106.81 3k1q h THR 592 Ca -0.00 0.00 -0.62 0.00 -0.55 0.00 0.00 66.41 65.24 3k1q h THR 592 Cb 0.63 0.02 -0.14 0.00 -1.73 0.00 0.00 68.15 66.93 3k1q h THR 592 CO 0.04 0.00 0.66 -1.58 -0.25 0.00 0.00 175.52 174.38 3k1q s GLN 593 N -4.65 3.16 0.58 4.72 -0.44 -0.84 -4.71 119.66 117.48 3k1q s GLN 593 Ca -0.04 -0.80 0.30 0.00 -2.50 0.00 0.00 55.36 52.32 3k1q s GLN 593 Cb 0.20 -4.28 1.43 0.00 -1.64 0.00 0.00 33.01 28.72 3k1q s GLN 593 CO 0.68 -1.87 1.81 0.66 0.50 0.00 0.00 175.29 177.07 3k1q h SER 594 N 9.60 0.00 -0.36 6.67 4.64 -1.88 0.19 113.55 132.41 3k1q h SER 594 Ca -0.25 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 61.15 3k1q h SER 594 Cb 1.06 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.07 3k1q h SER 594 CO 1.20 0.00 -0.25 1.23 -0.87 0.00 0.00 176.83 178.13 3k1q h GLY 595 N 0.00 -0.09 2.00 -0.77 0.00 -1.92 0.28 103.07 102.58 3k1q h GLY 595 Ca 0.33 0.32 -0.02 0.00 0.00 0.00 0.00 47.33 47.97 3k1q h GLY 595 CO -0.00 -0.21 -0.08 -0.33 0.00 0.00 0.00 176.54 175.93 3k1q h MET 596 N -0.20 0.00 0.17 4.80 2.86 -0.97 0.18 114.93 121.76 3k1q h MET 596 Ca 0.18 0.00 -0.30 0.00 -2.06 0.00 0.00 59.70 57.51 3k1q h MET 596 Cb 0.48 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.15 3k1q h MET 596 CO -0.48 0.08 -1.40 1.25 1.06 0.00 0.00 176.91 177.41 3k1q h LEU 597 N 0.00 0.55 -0.65 1.22 5.85 -0.77 -1.20 115.31 120.31 3k1q h LEU 597 Ca -0.00 -0.63 0.03 0.00 0.84 0.00 0.00 57.88 58.12 3k1q h LEU 597 Cb 0.19 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.00 3k1q h LEU 597 CO 0.01 1.50 0.39 0.28 -0.34 0.00 0.00 178.44 180.28 3k1q h SER 598 N 0.10 0.64 -0.83 1.25 0.02 0.01 -0.42 113.55 114.31 3k1q h SER 598 Ca -0.20 0.01 0.04 0.00 -0.84 0.00 0.00 61.79 60.80 3k1q h SER 598 Cb 2.05 -0.13 -0.05 0.00 0.14 0.00 0.00 62.40 64.41 3k1q h SER 598 CO 0.22 0.44 0.54 0.00 -1.14 0.00 0.00 176.83 176.89 3k1q h ALA 599 N 1.29 1.53 0.08 3.77 0.00 -0.48 -0.82 119.26 124.63 3k1q h ALA 599 Ca 0.26 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 3k1q h ALA 599 Cb 0.04 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.56 3k1q h ALA 599 CO -0.11 0.38 -0.04 1.25 0.00 0.00 0.00 179.25 180.72 3k1q h LEU 600 N 0.98 -0.09 -0.17 0.00 6.46 0.07 0.17 115.31 122.72 3k1q h LEU 600 Ca 0.34 -0.42 0.04 0.00 -0.12 0.00 0.00 57.88 57.72 3k1q h LEU 600 Cb 0.10 0.02 -0.07 0.00 -0.73 0.00 0.00 40.66 39.98 3k1q h LEU 600 CO -0.11 0.39 -0.49 0.74 -0.62 0.00 0.00 178.44 178.35 3k1q h THR 601 N -0.61 0.06 0.57 1.05 2.02 -0.61 -0.45 112.91 114.94 3k1q h THR 601 Ca -0.01 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.14 3k1q h THR 601 Cb 0.50 0.06 0.01 0.00 -1.74 0.00 0.00 68.15 66.98 3k1q h THR 601 CO 0.02 0.00 -0.28 0.77 0.37 0.00 0.00 175.52 176.40 3k1q h SER 602 N -0.52 -0.65 -0.89 4.18 4.64 -1.25 -3.32 113.55 115.73 3k1q h SER 602 Ca 0.06 -0.02 0.22 0.00 -0.47 0.00 0.00 61.79 61.58 3k1q h SER 602 Cb 0.65 0.17 -0.17 0.00 -0.31 0.00 0.00 62.40 62.75 3k1q h SER 602 CO -0.45 -0.38 -0.07 0.61 -0.87 0.00 0.00 176.83 175.67 3k1q n GLY 603 N -1.07 -1.31 0.33 -0.77 0.00 0.58 -1.54 105.19 101.40 3k1q n GLY 603 Ca -0.12 0.90 0.05 0.00 0.00 0.00 0.00 46.02 46.85 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 0.89 -0.24 1.61 3.04 -1.19 -2.62 116.25 117.74 3k1q h VAL 604 Ca 0.50 -0.29 -0.01 0.00 -1.01 0.00 0.00 66.70 65.89 3k1q h VAL 604 Cb 0.95 -0.02 -0.01 0.00 -2.01 0.00 0.00 31.29 30.19 3k1q h VAL 604 CO -0.87 0.15 0.11 1.23 -1.01 0.00 0.00 177.57 177.19 3k1q h GLY 605 N 0.84 0.37 0.04 3.17 0.00 -1.45 -0.45 103.07 105.59 3k1q h GLY 605 Ca 0.44 -0.19 0.13 0.00 0.00 0.00 0.00 47.33 47.71 3k1q h GLY 605 CO -0.27 0.18 0.11 -0.91 0.00 0.00 0.00 176.54 175.65 3k1q h THR 606 N 0.25 0.56 -0.68 4.70 1.35 -1.58 0.48 112.91 117.99 3k1q h THR 606 Ca 0.08 -0.08 0.09 0.00 -0.55 0.00 0.00 66.41 65.96 3k1q h THR 606 Cb 0.13 0.31 -0.04 0.00 -1.73 0.00 0.00 68.15 66.82 3k1q h THR 606 CO -0.01 0.04 0.45 0.00 -0.25 0.00 0.00 175.52 175.75 3k1q h ALA 607 N 1.54 1.89 0.27 6.62 0.00 -1.04 -1.75 119.26 126.80 3k1q h ALA 607 Ca 0.35 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 3k1q h ALA 607 Cb 0.56 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3k1q h ALA 607 CO -0.47 -0.04 -0.13 -0.07 0.00 0.00 0.00 179.25 178.54 3k1q h LEU 608 N 0.56 -0.30 -0.29 0.00 3.38 -0.45 -2.72 115.31 115.47 3k1q h LEU 608 Ca 0.31 -0.11 0.03 0.00 0.09 0.00 0.00 57.88 58.20 3k1q h LEU 608 Cb 0.48 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 3k1q h LEU 608 CO -0.10 0.18 -0.17 -1.14 0.09 0.00 0.00 178.44 177.30 3k1q n ARG 609 N -5.01 -0.13 -0.55 1.13 0.63 0.10 -1.99 116.66 110.84 3k1q n ARG 609 Ca -0.06 0.81 0.05 0.00 -0.92 0.00 0.00 57.85 57.72 3k1q n ARG 609 Cb 0.20 -1.19 0.24 0.00 0.45 0.00 0.00 32.46 32.16 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 -3.62 2.37 -2.45 5.15 -2.24 -0.67 -5.03 114.28 107.80 3k1q n THR 610 Ca 0.01 -2.09 -0.41 0.00 -2.27 0.00 0.00 64.05 59.28 3k1q n THR 610 Cb 0.08 -0.28 -0.03 0.00 -2.10 0.00 0.00 70.33 67.99 3k1q n THR 610 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3k1q s GLY 611 N -2.08 2.66 -0.99 3.38 0.00 -0.84 -4.99 107.32 104.46 3k1q s GLY 611 Ca 0.43 0.85 -0.19 0.00 0.00 0.00 0.00 44.72 45.82 3k1q s GLY 611 CO 0.07 1.83 1.23 -1.35 0.00 0.00 0.00 173.10 174.88 3k1q s SER 612 N 0.36 6.68 0.00 1.64 1.04 -1.26 -4.70 113.70 117.46 3k1q s SER 612 Ca 0.53 -2.12 0.00 0.00 0.48 0.00 0.00 55.95 54.85 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 -1.08 0.00 0.18 0.98 0.00 0.00 173.24 173.65 3k1q n LEU 613 N 6.78 0.00 -4.55 2.42 4.77 -1.26 -4.72 117.00 120.45 3k1q n LEU 613 Ca 0.28 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.89 3k1q n LEU 613 Cb 0.48 0.00 -0.03 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 0.00 177.39 179.25 3k1q n GLY 614 N 0.07 0.20 2.93 -0.72 0.00 -1.26 -4.94 105.19 101.47 3k1q n GLY 614 Ca 0.00 0.68 -0.30 0.00 0.00 0.00 0.00 46.02 46.40 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 8.20 1.74 -0.43 1.61 2.47 -1.26 -5.02 119.74 127.06 3k1q s LYS 615 Ca 1.00 -2.34 -0.41 0.00 -1.56 0.00 0.00 55.97 52.66 3k1q s LYS 615 Cb -0.23 -3.12 -0.16 0.00 -1.46 0.00 0.00 37.83 32.86 3k1q s LYS 615 CO 0.28 -1.08 2.05 0.41 0.16 0.00 0.00 175.35 177.17 3k1q n GLY 616 N 3.46 0.21 0.34 5.54 0.00 -1.26 -4.91 105.19 108.56 3k1q n GLY 616 Ca 0.05 1.03 0.10 0.00 0.00 0.00 0.00 46.02 47.20 3k1q n GLY 616 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3k1q h VAL 617 N 6.60 0.07 -0.39 1.61 3.04 -1.98 0.49 116.25 125.70 3k1q h VAL 617 Ca -0.23 -0.01 0.05 0.00 -1.01 0.00 0.00 66.70 65.50 3k1q h VAL 617 Cb 1.37 0.05 -0.08 0.00 -2.01 0.00 0.00 31.29 30.62 3k1q h VAL 617 CO 1.04 0.00 -0.53 0.71 -1.01 0.00 0.00 177.57 177.79 3k1q h THR 618 N 0.02 0.00 -0.16 3.17 1.35 -2.01 -1.97 112.91 113.31 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 1.00 0.00 -0.01 0.00 -1.73 0.00 0.00 68.15 67.41 3k1q h THR 618 CO -0.91 0.00 0.01 -0.78 -0.25 0.00 0.00 175.52 173.60 3k1q h ASP 619 N -0.38 0.21 1.00 5.36 3.58 -1.36 -2.16 116.42 122.67 3k1q h ASP 619 Ca 0.07 -0.02 -0.05 0.00 0.42 0.00 0.00 57.03 57.45 3k1q h ASP 619 Cb 0.56 -0.05 0.01 0.00 1.72 0.00 0.00 39.33 41.57 3k1q h ASP 619 CO -0.56 0.24 -0.49 0.00 -2.88 0.00 0.00 179.24 175.55 3k1q h ALA 620 N 1.79 -1.36 -0.89 -0.78 0.00 -0.37 0.21 119.26 117.85 3k1q h ALA 620 Ca 0.06 -0.30 0.23 0.00 0.00 0.00 0.00 54.91 54.90 3k1q h ALA 620 Cb 0.14 0.53 -0.13 0.00 0.00 0.00 0.00 17.79 18.34 3k1q h ALA 620 CO 0.00 -1.27 0.37 0.66 0.00 0.00 0.00 179.25 179.02 3k1q h SER 621 N -1.36 0.28 -0.39 0.00 4.64 -1.39 0.30 113.55 115.63 3k1q h SER 621 Ca -0.14 0.16 -0.11 0.00 -0.47 0.00 0.00 61.79 61.24 3k1q h SER 621 Cb 1.04 0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 63.27 3k1q h SER 621 CO 0.22 -0.03 -0.16 -0.33 -0.87 0.00 0.00 176.83 175.66 3k1q h GLU 622 N 0.36 0.86 -0.34 4.77 3.07 -0.61 -1.17 114.58 121.52 3k1q h GLU 622 Ca 0.56 -0.32 -0.08 0.00 -0.50 0.00 0.00 59.36 59.02 3k1q h GLU 622 Cb 1.09 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.94 3k1q h GLU 622 CO -0.55 0.96 -0.12 -0.22 -1.40 0.00 0.00 179.01 177.68 3k1q h LYS 623 N 0.76 0.68 -0.61 2.33 3.64 -0.23 0.95 116.57 124.09 3k1q h LYS 623 Ca 0.12 -0.28 0.12 0.00 -1.27 0.00 0.00 60.65 59.34 3k1q h LYS 623 Cb 0.68 -0.03 -0.12 0.00 -0.41 0.00 0.00 32.23 32.35 3k1q h LYS 623 CO 0.05 0.87 -0.15 1.25 -2.27 0.00 0.00 179.45 179.20 3k1q h LEU 624 N 0.46 -0.56 0.48 5.20 5.85 -0.91 0.11 115.31 125.94 3k1q h LEU 624 Ca 0.08 0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.96 3k1q h LEU 624 Cb 0.64 0.38 0.00 0.00 0.37 0.00 0.00 40.66 42.05 3k1q h LEU 624 CO 0.04 -0.20 -0.23 -0.09 -0.34 0.00 0.00 178.44 177.62 3k1q h ARG 625 N 0.00 -0.62 -0.90 1.25 1.12 -0.73 -1.57 114.38 112.92 3k1q h ARG 625 Ca 0.29 0.04 0.12 0.00 -1.11 0.00 0.00 59.98 59.33 3k1q h ARG 625 Cb 0.45 0.14 -0.07 0.00 -0.01 0.00 0.00 29.97 30.48 3k1q h ARG 625 CO -0.63 -0.33 0.58 0.00 -3.11 0.00 0.00 179.97 176.48 3k1q h ALA 626 N -0.42 1.71 -0.57 2.80 0.00 -0.30 -1.51 119.26 120.98 3k1q h ALA 626 Ca -0.07 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 3k1q h ALA 626 Cb 0.57 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 3k1q h ALA 626 CO 0.11 0.07 0.18 0.00 0.00 0.00 0.00 179.25 179.62 3k1q h ARG 627 N 0.81 0.85 0.20 0.00 3.08 -0.70 -0.68 114.38 117.94 3k1q h ARG 627 Ca 0.44 -0.15 -0.01 0.00 0.07 0.00 0.00 59.98 60.33 3k1q h ARG 627 Cb 0.56 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.47 3k1q h ARG 627 CO -0.20 0.73 -0.10 1.96 -1.07 0.00 0.00 179.97 181.29 3k1q h GLN 628 N 0.83 -0.26 -0.74 0.04 4.20 -0.27 -1.98 115.11 116.92 3k1q h GLN 628 Ca 0.19 0.02 0.12 0.00 0.06 0.00 0.00 58.65 59.03 3k1q h GLN 628 Cb 0.23 0.06 -0.05 0.00 0.30 0.00 0.00 27.48 28.02 3k1q h GLN 628 CO -0.01 0.07 0.49 0.66 -0.67 0.00 0.00 178.83 179.37 3k1q h SER 629 N -0.62 0.51 0.04 1.46 4.64 -1.12 0.32 113.55 118.79 3k1q h SER 629 Ca -0.03 0.02 0.01 0.00 -0.47 0.00 0.00 61.79 61.32 3k1q h SER 629 Cb 0.45 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.44 3k1q h SER 629 CO 0.05 0.29 -0.07 0.25 -0.87 0.00 0.00 176.83 176.47 3k1q h LEU 630 N 0.56 -0.20 -0.24 5.97 5.85 -0.50 -1.93 115.31 124.81 3k1q h LEU 630 Ca 0.35 0.02 0.06 0.00 0.84 0.00 0.00 57.88 59.16 3k1q h LEU 630 Cb 0.61 0.08 -0.07 0.00 0.37 0.00 0.00 40.66 41.65 3k1q h LEU 630 CO -0.13 -0.11 -0.21 0.74 -0.34 0.00 0.00 178.44 178.39 3k1q h THR 631 N -0.15 0.44 -0.43 1.05 2.02 -1.03 -0.46 112.91 114.35 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 0.16 0.44 -0.09 0.00 -1.74 0.00 0.00 68.15 66.92 3k1q h THR 631 CO -0.04 0.00 -0.47 0.58 0.37 0.00 0.00 175.52 175.96 3k1q h VAL 632 N -0.21 0.08 -0.65 3.16 2.07 -0.76 0.15 116.25 120.09 3k1q h VAL 632 Ca 0.14 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.68 3k1q h VAL 632 Cb 0.42 0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.24 3k1q h VAL 632 CO -0.37 0.00 0.43 0.00 0.02 0.00 0.00 177.57 177.65 3k1q h ALA 633 N 0.32 1.59 -0.14 1.67 0.00 -1.22 -0.74 119.26 120.75 3k1q h ALA 633 Ca 0.13 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.01 3k1q h ALA 633 Cb 0.59 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3k1q h ALA 633 CO -0.59 0.36 0.04 0.87 0.00 0.00 0.00 179.25 179.92 3k1q h LYS 634 N 0.82 0.10 -0.50 0.00 1.57 -0.03 0.12 116.57 118.65 3k1q h LYS 634 Ca 0.25 -0.01 0.07 0.00 -1.87 0.00 0.00 60.65 59.09 3k1q h LYS 634 Cb -0.01 -0.02 -0.10 0.00 0.08 0.00 0.00 32.23 32.18 3k1q h LYS 634 CO -0.06 0.07 -0.48 1.96 -0.57 0.00 0.00 179.45 180.37 3k1q h GLN 635 N 0.10 -0.28 -0.90 3.15 1.08 -0.93 0.13 115.11 117.46 3k1q h GLN 635 Ca 0.06 0.02 0.14 0.00 -1.45 0.00 0.00 58.65 57.41 3k1q h GLN 635 Cb 0.04 0.06 -0.07 0.00 -0.05 0.00 0.00 27.48 27.46 3k1q h GLN 635 CO -0.07 -0.19 0.58 0.00 -0.95 0.00 0.00 178.83 178.20 3k1q h ALA 636 N 0.38 1.79 0.12 3.87 0.00 -0.75 0.10 119.26 124.77 3k1q h ALA 636 Ca 0.14 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3k1q h ALA 636 Cb 0.57 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 3k1q h ALA 636 CO -0.65 -0.03 -0.07 0.35 0.00 0.00 0.00 179.25 178.86 3k1q h PHE 637 N 0.73 -0.17 -0.77 0.00 3.57 0.15 -1.45 116.94 118.99 3k1q h PHE 637 Ca 0.45 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 62.03 3k1q h PHE 637 Cb 0.67 0.06 -0.07 0.00 2.79 0.00 0.00 35.95 39.41 3k1q h PHE 637 CO -0.00 -0.11 0.44 0.74 -2.23 0.00 0.00 178.31 177.15 3k1q h PHE 638 N -0.18 0.79 -0.56 0.41 0.04 -0.44 -0.09 116.94 116.92 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 0.14 -0.24 -0.08 0.00 2.20 0.00 0.00 35.95 37.97 3k1q h PHE 638 CO -0.08 0.34 0.09 -0.44 -0.60 0.00 0.00 178.31 177.63 3k1q h ASP 639 N 0.76 -0.05 -0.47 2.17 3.32 -0.33 0.62 116.42 122.44 3k1q h ASP 639 Ca 0.36 0.11 0.04 0.00 0.02 0.00 0.00 57.03 57.57 3k1q h ASP 639 Cb 0.30 0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.97 3k1q h ASP 639 CO -0.23 -0.01 0.23 -0.61 -1.72 0.00 0.00 179.24 176.90 3k1q h GLN 640 N 0.22 0.43 -0.72 3.56 -0.00 -0.50 0.19 115.11 118.29 3k1q h GLN 640 Ca 0.29 -0.03 -0.00 0.00 -0.00 0.00 0.00 58.65 58.91 3k1q h GLN 640 Cb 0.43 -0.10 -0.03 0.00 0.00 0.00 0.00 27.48 27.77 3k1q h GLN 640 CO -0.39 0.29 0.45 0.82 0.00 0.00 0.00 178.83 179.99 3k1q h ILE 641 N 0.45 1.20 -0.90 2.39 2.04 -0.40 -1.00 117.51 121.29 3k1q h ILE 641 Ca 0.21 -0.42 0.15 0.00 1.00 0.00 0.00 64.86 65.80 3k1q h ILE 641 Cb 0.13 0.18 -0.09 0.00 -0.74 0.00 0.00 36.82 36.30 3k1q h ILE 641 CO -0.15 0.20 0.50 1.23 0.00 0.00 0.00 178.15 179.93 3k1q h GLY 642 N 0.98 1.49 0.98 5.37 0.00 0.67 -1.24 103.07 111.32 3k1q h GLY 642 Ca 0.26 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.27 3k1q h GLY 642 CO -0.05 0.01 0.26 1.48 0.00 0.00 0.00 176.54 178.23 3k1q h SER 643 N 0.72 0.63 0.74 0.19 4.64 -0.21 -1.47 113.55 118.79 3k1q h SER 643 Ca 0.48 -0.11 -0.25 0.00 -0.47 0.00 0.00 61.79 61.45 3k1q h SER 643 Cb 0.64 -0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 62.55 3k1q h SER 643 CO -0.34 0.55 -1.30 -0.07 -0.87 0.00 0.00 176.83 174.80 3k1q h LEU 644 N 0.65 0.09 -6.40 5.97 3.38 -0.22 -3.39 115.31 115.40 3k1q h LEU 644 Ca 0.17 -0.12 -0.41 0.00 0.09 0.00 0.00 57.88 57.60 3k1q h LEU 644 Cb 0.08 -0.03 -0.33 0.00 0.09 0.00 0.00 40.66 40.47 3k1q h LEU 644 CO -0.03 1.10 -0.72 0.86 0.09 0.00 0.00 178.44 179.74 3k1q s TRP 645 N -2.66 -0.08 -0.90 1.13 -0.00 -0.56 -5.05 118.94 110.82 3k1q s TRP 645 Ca -0.03 -1.00 -0.24 0.00 -0.00 0.00 0.00 56.10 54.83 3k1q s TRP 645 Cb 0.09 -0.52 -0.17 0.00 -0.00 0.00 0.00 33.47 32.87 3k1q s TRP 645 CO 0.83 -0.94 1.92 -0.35 -0.00 0.00 0.00 176.95 178.41 3k1q n PRO 646 N 4.20 1.15 -1.51 5.86 -0.04 -0.55 -4.52 135.00 139.58 3k1q n PRO 646 Ca 0.11 -1.99 -0.45 0.00 -0.04 0.00 0.00 63.50 61.13 3k1q n PRO 646 Cb 0.43 -3.37 -0.06 0.00 -0.04 0.00 0.00 33.50 30.46 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 5.37 0.49 2.54 0.55 0.00 -1.24 -4.85 105.19 108.05 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