#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ddx s ASN 34 N 0.00 5.64 0.00 0.00 3.84 -1.26 -4.77 114.94 118.39 1ddx s ASN 34 Ca 0.00 1.83 0.00 0.00 0.21 0.00 0.00 52.86 54.90 1ddx s ASN 34 Cb 0.00 -2.52 0.00 0.00 -0.55 0.00 0.00 41.25 38.18 1ddx s ASN 34 CO 0.00 -1.82 0.85 -0.81 -2.79 0.00 0.00 177.10 172.52 1ddx n PRO 35 N 8.57 0.00 0.03 0.43 -0.04 -1.26 -0.07 135.00 142.66 1ddx n PRO 35 Ca 0.27 0.36 0.10 0.00 -0.04 0.00 0.00 63.50 64.20 1ddx n PRO 35 Cb 0.45 -1.56 -0.10 0.00 -0.04 0.00 0.00 33.50 32.25 1ddx n PRO 35 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ddx n SER 38 N -4.75 0.03 -4.33 0.00 3.41 -1.26 -4.37 113.62 102.35 1ddx n SER 38 Ca 0.13 -0.72 -0.37 0.00 -0.26 0.00 0.00 58.87 57.64 1ddx n SER 38 Cb 0.42 -0.02 -0.05 0.00 -0.26 0.00 0.00 64.21 64.30 1ddx n SER 38 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1ddx n ASN 39 N -0.43 -2.12 -0.18 4.04 5.03 0.20 -4.86 115.26 116.93 1ddx n ASN 39 Ca 0.00 -1.12 -0.02 0.00 0.87 0.00 0.00 54.58 54.31 1ddx n ASN 39 Cb 0.01 -2.27 0.08 0.00 -1.02 0.00 0.00 39.78 36.58 1ddx n ASN 39 CO 0.00 0.00 0.00 1.55 -1.83 0.00 0.00 177.26 176.98 1ddx h PRO 40 N -1.34 0.42 -6.41 3.52 0.13 -1.89 -3.43 132.00 123.01 1ddx h PRO 40 Ca -0.60 -0.03 -0.54 0.00 -0.87 0.00 0.00 66.00 63.97 1ddx h PRO 40 Cb 1.39 -0.09 0.02 0.00 0.13 0.00 0.00 31.00 32.44 1ddx h PRO 40 CO 0.80 0.28 1.03 0.00 -0.23 0.00 0.00 178.00 179.88 1ddx s GLN 42 N 3.02 2.77 -1.17 0.00 -1.52 0.42 -4.51 119.66 118.66 1ddx s GLN 42 Ca 0.75 -1.30 -0.16 0.00 -1.95 0.00 0.00 55.36 52.71 1ddx s GLN 42 Cb -0.39 -2.65 -0.01 0.00 -0.22 0.00 0.00 33.01 29.74 1ddx s GLN 42 CO 0.33 -0.20 0.76 0.09 -0.25 0.00 0.00 175.29 176.02 1ddx n ASN 43 N -1.72 -4.56 0.00 5.90 3.02 -1.26 -1.05 115.26 115.59 1ddx n ASN 43 Ca 0.05 -0.97 0.00 0.00 -0.03 0.00 0.00 54.58 53.64 1ddx n ASN 43 Cb 0.60 -3.59 0.00 0.00 -0.61 0.00 0.00 39.78 36.18 1ddx n ASN 43 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1ddx n ARG 44 N -4.12 -1.63 -0.66 3.52 5.12 -1.26 -4.80 116.66 112.82 1ddx n ARG 44 Ca -0.13 0.41 -0.30 0.00 -1.93 0.00 0.00 57.85 55.89 1ddx n ARG 44 Cb 0.61 -4.71 0.19 0.00 -1.16 0.00 0.00 32.46 27.38 1ddx n ARG 44 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1ddx s GLY 45 N -2.00 1.65 -0.14 -0.13 0.00 -0.22 -4.95 107.32 101.54 1ddx s GLY 45 Ca 0.00 0.43 0.01 0.00 0.00 0.00 0.00 44.72 45.16 1ddx s GLY 45 CO 0.00 0.91 -0.17 1.85 0.00 0.00 0.00 173.10 175.70 1ddx s GLU 46 N -4.60 3.21 0.02 2.90 2.12 -1.15 -4.76 118.70 116.44 1ddx s GLU 46 Ca 0.67 -0.77 -0.19 0.00 0.36 0.00 0.00 54.97 55.05 1ddx s GLU 46 Cb -0.23 -2.56 -0.06 0.00 0.26 0.00 0.00 34.13 31.54 1ddx s GLU 46 CO 0.60 0.08 0.53 0.00 -0.54 0.00 0.00 175.26 175.93 1ddx s MET 48 N -0.70 0.34 -0.73 0.00 0.00 0.20 -4.92 119.30 113.50 1ddx s MET 48 Ca 0.28 0.03 -0.26 0.00 0.00 0.00 0.00 55.69 55.74 1ddx s MET 48 Cb -0.18 -0.47 -0.03 0.00 0.00 0.00 0.00 34.83 34.14 1ddx s MET 48 CO 0.16 -0.10 1.90 -1.54 0.00 0.00 0.00 175.02 175.45 1ddx s SER 49 N 0.83 5.21 -0.30 1.11 1.04 -1.26 0.86 113.70 121.19 1ddx s SER 49 Ca -0.09 -0.07 -0.03 0.00 0.48 0.00 0.00 55.95 56.24 1ddx s SER 49 Cb -0.12 -2.54 0.04 0.00 0.10 0.00 0.00 66.02 63.50 1ddx s SER 49 CO -0.01 -2.53 2.67 0.35 0.98 0.00 0.00 173.24 174.70 1ddx n THR 50 N 7.49 3.02 0.00 2.02 -2.24 -0.76 -4.86 114.28 118.95 1ddx n THR 50 Ca 0.28 -2.18 0.00 0.00 -2.27 0.00 0.00 64.05 59.89 1ddx n THR 50 Cb 0.50 -1.59 0.00 0.00 -2.10 0.00 0.00 70.33 67.14 1ddx n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ddx n GLY 51 N 1.08 3.35 0.25 3.38 0.00 -1.24 -4.69 105.19 107.32 1ddx n GLY 51 Ca 0.39 -1.84 -0.01 0.00 0.00 0.00 0.00 46.02 44.56 1ddx n GLY 51 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1ddx h PHE 52 N 0.00 -0.36 -0.91 1.61 -1.00 -1.96 -3.10 116.94 111.21 1ddx h PHE 52 Ca 0.00 0.06 -0.50 0.00 2.81 0.00 0.00 57.97 60.33 1ddx h PHE 52 Cb 0.00 0.26 -0.42 0.00 3.61 0.00 0.00 35.95 39.40 1ddx h PHE 52 CO 0.00 -0.28 -0.86 -0.25 -1.61 0.00 0.00 178.31 175.30 1ddx n ASP 53 N -5.44 4.17 -3.76 2.17 8.00 -1.26 -4.39 116.55 116.04 1ddx n ASP 53 Ca 0.08 -3.43 -0.11 0.00 0.71 0.00 0.00 54.79 52.04 1ddx n ASP 53 Cb 0.33 -0.40 -0.07 0.00 -0.02 0.00 0.00 41.12 40.96 1ddx n ASP 53 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ddx s GLN 54 N -3.58 0.83 0.16 -1.24 -2.07 -1.17 -4.97 119.66 107.62 1ddx s GLN 54 Ca 0.45 -0.58 0.04 0.00 -1.82 0.00 0.00 55.36 53.45 1ddx s GLN 54 Cb 0.40 0.36 -0.01 0.00 -1.09 0.00 0.00 33.01 32.66 1ddx s GLN 54 CO -0.03 -0.27 0.14 2.48 -1.32 0.00 0.00 175.29 176.29 1ddx n TYR 55 N 0.44 -0.42 -3.64 9.60 0.18 -1.26 -1.83 117.16 120.23 1ddx n TYR 55 Ca -0.18 -1.37 -0.15 0.00 1.88 0.00 0.00 57.90 58.08 1ddx n TYR 55 Cb 0.60 0.15 -0.08 0.00 -0.38 0.00 0.00 39.34 39.64 1ddx n TYR 55 CO 0.00 0.00 0.00 0.21 -2.08 0.00 0.00 176.86 174.99 1ddx s LYS 56 N -2.65 0.79 -0.18 -3.48 2.47 0.25 -4.53 119.74 112.41 1ddx s LYS 56 Ca 0.19 0.48 -0.05 0.00 -1.56 0.00 0.00 55.97 55.03 1ddx s LYS 56 Cb 0.01 0.38 -0.03 0.00 -1.46 0.00 0.00 37.83 36.73 1ddx s LYS 56 CO 0.14 -0.17 0.00 0.00 0.16 0.00 0.00 175.35 175.47 1ddx n ASP 58 N 3.87 5.49 -3.57 0.00 2.03 0.17 -4.84 116.55 119.70 1ddx n ASP 58 Ca -0.17 -3.08 -0.41 0.00 0.52 0.00 0.00 54.79 51.65 1ddx n ASP 58 Cb 0.52 -1.45 -0.01 0.00 -0.72 0.00 0.00 41.12 39.46 1ddx n ASP 58 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ddx s THR 60 N 2.72 5.32 -0.98 0.00 2.01 -1.26 -4.15 115.64 119.30 1ddx s THR 60 Ca 0.56 0.21 0.00 0.00 0.31 0.00 0.00 61.69 62.77 1ddx s THR 60 Cb 0.16 -3.53 0.00 0.00 0.01 0.00 0.00 72.50 69.13 1ddx s THR 60 CO -0.08 0.29 0.00 0.54 -0.69 0.00 0.00 174.62 174.68 1ddx n ARG 61 N 4.73 -1.73 -0.04 4.92 1.74 -1.26 -4.82 116.66 120.20 1ddx n ARG 61 Ca -0.14 0.82 -0.15 0.00 -0.77 0.00 0.00 57.85 57.61 1ddx n ARG 61 Cb 0.52 -5.25 -0.12 0.00 -1.02 0.00 0.00 32.46 26.59 1ddx n ARG 61 CO 0.00 0.00 0.00 1.79 -1.52 0.00 0.00 177.63 177.90 1ddx h THR 62 N 0.00 1.63 0.00 0.55 1.35 -1.87 -3.48 112.91 111.09 1ddx h THR 62 Ca -0.19 -2.08 0.00 0.00 -0.55 0.00 0.00 66.41 63.59 1ddx h THR 62 Cb 1.14 3.01 0.00 0.00 -1.73 0.00 0.00 68.15 70.58 1ddx h THR 62 CO 0.28 0.56 0.00 0.61 -0.25 0.00 0.00 175.52 176.71 1ddx n GLY 63 N 1.25 1.13 2.95 5.82 0.00 -1.26 -5.04 105.19 110.04 1ddx n GLY 63 Ca -0.10 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.80 1ddx n GLY 63 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ddx s PHE 64 N -2.00 -0.03 0.00 1.61 0.40 -1.25 -1.02 117.98 115.68 1ddx s PHE 64 Ca 0.00 0.08 0.00 0.00 -0.60 0.00 0.00 56.93 56.41 1ddx s PHE 64 Cb 0.00 -0.00 0.00 0.00 0.51 0.00 0.00 43.02 43.53 1ddx s PHE 64 CO 0.00 -0.07 0.00 2.48 0.70 0.00 0.00 175.22 178.33 1ddx n TYR 65 N 2.79 0.00 -0.57 0.36 -0.00 0.44 -4.64 117.16 115.54 1ddx n TYR 65 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.76 1ddx n TYR 65 Cb 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.93 1ddx n TYR 65 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1ddx n GLY 66 N 5.00 -3.32 0.49 -7.48 0.00 -1.26 -1.23 105.19 97.39 1ddx n GLY 66 Ca 0.00 -1.11 0.30 0.00 0.00 0.00 0.00 46.02 45.21 1ddx n GLY 66 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1ddx h GLU 67 N 0.16 0.00 -0.31 1.61 4.81 -1.98 -0.28 114.58 118.59 1ddx h GLU 67 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1ddx h GLU 67 Cb 0.29 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.67 1ddx h GLU 67 CO 0.00 0.00 0.00 0.09 -0.73 0.00 0.00 179.01 178.37 1ddx n ASN 68 N -3.89 2.82 -2.34 1.04 3.02 -1.26 -4.10 115.26 110.55 1ddx n ASN 68 Ca 0.20 -1.96 -0.14 0.00 -0.03 0.00 0.00 54.58 52.64 1ddx n ASN 68 Cb 1.11 -0.21 0.05 0.00 -0.61 0.00 0.00 39.78 40.12 1ddx n ASN 68 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ddx n THR 70 N -4.03 1.33 -1.71 0.00 -2.24 -0.36 -4.42 114.28 102.85 1ddx n THR 70 Ca -0.00 0.19 -0.56 0.00 -2.27 0.00 0.00 64.05 61.41 1ddx n THR 70 Cb 0.54 -2.19 -0.07 0.00 -2.10 0.00 0.00 70.33 66.51 1ddx n THR 70 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1ddx n THR 71 N -4.18 0.33 -2.53 4.28 -1.04 -1.21 -4.67 114.28 105.26 1ddx n THR 71 Ca -0.11 -0.06 -0.23 0.00 -2.04 0.00 0.00 64.05 61.61 1ddx n THR 71 Cb 0.42 -1.29 0.04 0.00 -1.82 0.00 0.00 70.33 67.68 1ddx n THR 71 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1ddx s PRO 72 N 3.56 2.55 0.43 -2.82 0.04 -1.26 0.17 135.00 137.66 1ddx s PRO 72 Ca 0.98 -0.52 0.07 0.00 0.04 0.00 0.00 61.00 61.56 1ddx s PRO 72 Cb -1.03 -2.39 0.01 0.00 0.04 0.00 0.00 34.50 31.14 1ddx s PRO 72 CO 0.64 -0.80 0.59 -1.21 0.04 0.00 0.00 177.00 176.26 1ddx s GLU 73 N -4.90 2.82 0.00 4.56 2.02 -0.19 -4.80 118.70 118.22 1ddx s GLU 73 Ca 0.57 -1.13 0.00 0.00 0.02 0.00 0.00 54.97 54.42 1ddx s GLU 73 Cb -0.10 -2.72 0.00 0.00 0.10 0.00 0.00 34.13 31.40 1ddx s GLU 73 CO 0.41 -0.30 0.97 0.34 0.02 0.00 0.00 175.26 176.69 1ddx n PHE 74 N -1.91 0.00 -0.47 1.61 7.35 -1.26 -1.94 117.46 120.84 1ddx n PHE 74 Ca 0.07 0.00 0.39 0.00 -0.76 0.00 0.00 57.45 57.15 1ddx n PHE 74 Cb 0.59 -0.47 0.70 0.00 0.35 0.00 0.00 39.48 40.66 1ddx n PHE 74 CO 0.00 0.00 0.00 1.25 -0.76 0.00 0.00 176.76 177.25 1ddx h LEU 75 N 0.00 0.14 0.25 -2.13 5.85 -1.97 1.05 115.31 118.50 1ddx h LEU 75 Ca 0.00 0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.79 1ddx h LEU 75 Cb 0.00 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 1ddx h LEU 75 CO 0.00 -0.05 -0.30 0.74 -0.34 0.00 0.00 178.44 178.49 1ddx h THR 76 N 0.08 0.36 0.07 1.05 2.02 -1.72 0.39 112.91 115.16 1ddx h THR 76 Ca 0.76 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.94 1ddx h THR 76 Cb 2.67 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 69.42 1ddx h THR 76 CO -0.19 0.00 -0.28 0.03 0.37 0.00 0.00 175.52 175.45 1ddx h ARG 77 N -0.60 -0.39 -0.82 6.66 3.08 0.18 0.97 114.38 123.47 1ddx h ARG 77 Ca -0.00 0.03 0.24 0.00 0.07 0.00 0.00 59.98 60.31 1ddx h ARG 77 Cb 0.57 0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.68 1ddx h ARG 77 CO -0.09 -0.26 0.64 0.82 -1.07 0.00 0.00 179.97 180.00 1ddx h ILE 78 N -0.40 0.49 -0.28 2.04 1.08 -1.25 0.66 117.51 119.85 1ddx h ILE 78 Ca -0.00 0.00 -0.18 0.00 -0.39 0.00 0.00 64.86 64.29 1ddx h ILE 78 Cb 0.40 0.54 -0.00 0.00 -3.07 0.00 0.00 36.82 34.69 1ddx h ILE 78 CO -0.14 0.00 -0.53 0.11 -0.69 0.00 0.00 178.15 176.90 1ddx h LYS 79 N 0.00 0.82 0.08 2.37 1.57 0.15 -3.23 116.57 118.33 1ddx h LYS 79 Ca 0.39 -0.50 -0.26 0.00 -1.87 0.00 0.00 60.65 58.40 1ddx h LYS 79 Cb 1.65 0.05 0.01 0.00 0.08 0.00 0.00 32.23 34.03 1ddx h LYS 79 CO -0.00 1.14 -1.12 -0.07 -0.57 0.00 0.00 179.45 178.82 1ddx h LEU 80 N 0.63 0.54 -2.75 2.94 3.38 0.25 -3.07 115.31 117.23 1ddx h LEU 80 Ca 0.02 -0.50 -0.04 0.00 0.09 0.00 0.00 57.88 57.45 1ddx h LEU 80 Cb 1.12 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.68 1ddx h LEU 80 CO 0.11 1.34 0.05 0.18 0.09 0.00 0.00 178.44 180.21 1ddx n LEU 81 N -3.66 4.73 -0.10 1.67 4.77 0.92 -1.09 117.00 124.24 1ddx n LEU 81 Ca -0.09 -2.22 0.00 0.00 -0.03 0.00 0.00 56.01 53.67 1ddx n LEU 81 Cb 0.94 -0.92 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1ddx n LEU 81 CO 0.53 0.87 0.05 0.18 -1.33 0.00 0.00 177.39 177.69 1ddx n LEU 82 N 1.04 0.00 -4.21 2.23 4.77 -1.21 -4.95 117.00 114.67 1ddx n LEU 82 Ca 0.04 -0.51 -0.41 0.00 -0.03 0.00 0.00 56.01 55.10 1ddx n LEU 82 Cb 0.53 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.54 1ddx n LEU 82 CO 0.04 0.57 -0.02 -0.75 -1.33 0.00 0.00 177.39 175.90 1ddx s LYS 83 N 0.00 2.49 0.16 3.23 2.20 -0.25 -5.04 119.74 122.53 1ddx s LYS 83 Ca 0.00 -1.77 -0.30 0.00 -0.36 0.00 0.00 55.97 53.53 1ddx s LYS 83 Cb 0.00 -3.94 -0.08 0.00 -1.51 0.00 0.00 37.83 32.31 1ddx s LYS 83 CO 0.00 -1.20 1.24 -1.25 -0.36 0.00 0.00 175.35 173.78 1ddx s PRO 84 N 1.35 4.44 0.38 4.03 0.04 -1.26 -4.99 135.00 138.99 1ddx s PRO 84 Ca 0.06 1.92 -0.26 0.00 0.04 0.00 0.00 61.00 62.75 1ddx s PRO 84 Cb -0.26 -3.25 -0.11 0.00 0.04 0.00 0.00 34.50 30.92 1ddx s PRO 84 CO -0.01 -0.18 1.19 0.25 0.04 0.00 0.00 177.00 178.29 1ddx n THR 85 N 2.86 2.29 -0.29 1.26 -2.24 -1.26 -4.75 114.28 112.14 1ddx n THR 85 Ca 0.06 -0.50 0.16 0.00 -2.27 0.00 0.00 64.05 61.50 1ddx n THR 85 Cb 0.44 -1.41 0.42 0.00 -2.10 0.00 0.00 70.33 67.69 1ddx n THR 85 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1ddx h PRO 86 N 2.09 0.57 -0.37 -0.78 0.13 -1.95 0.23 132.00 131.92 1ddx h PRO 86 Ca -0.45 -0.03 -0.03 0.00 -0.87 0.00 0.00 66.00 64.61 1ddx h PRO 86 Cb 1.31 -0.13 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 1ddx h PRO 86 CO 0.60 0.38 0.12 -0.91 -0.23 0.00 0.00 178.00 177.95 1ddx h ASN 87 N 0.59 0.54 0.15 1.44 2.35 -1.98 0.56 115.58 119.22 1ddx h ASN 87 Ca 0.51 -0.21 0.00 0.00 -0.55 0.00 0.00 56.30 56.05 1ddx h ASN 87 Cb 1.00 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 39.21 1ddx h ASN 87 CO -0.25 0.60 -0.31 0.74 -1.65 0.00 0.00 177.43 176.56 1ddx h THR 88 N 0.45 0.00 -0.09 2.81 2.02 -0.94 0.13 112.91 117.29 1ddx h THR 88 Ca 0.12 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.32 1ddx h THR 88 Cb 0.26 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 66.61 1ddx h THR 88 CO -0.00 0.00 -0.49 0.58 0.37 0.00 0.00 175.52 175.97 1ddx h VAL 89 N -0.50 0.00 -0.99 3.16 2.07 -1.09 0.14 116.25 119.04 1ddx h VAL 89 Ca -0.01 0.00 0.25 0.00 0.82 0.00 0.00 66.70 67.76 1ddx h VAL 89 Cb 0.47 0.00 -0.19 0.00 -1.52 0.00 0.00 31.29 30.06 1ddx h VAL 89 CO -0.13 0.00 -0.06 1.57 0.02 0.00 0.00 177.57 178.97 1ddx n HIS 90 N -5.17 0.55 0.03 1.57 -0.00 0.19 0.61 115.22 113.00 1ddx n HIS 90 Ca -0.06 1.20 -0.02 0.00 -0.00 0.00 0.00 57.72 58.84 1ddx n HIS 90 Cb 0.35 -1.19 -0.01 0.00 -0.00 0.00 0.00 29.99 29.13 1ddx n HIS 90 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.34 175.42 1ddx h TYR 91 N 0.00 -0.18 -1.29 1.57 3.20 0.19 -0.51 116.97 119.94 1ddx h TYR 91 Ca 0.56 0.00 0.37 0.00 3.14 0.00 0.00 58.73 62.81 1ddx h TYR 91 Cb 1.08 0.07 -0.07 0.00 1.54 0.00 0.00 36.73 39.35 1ddx h TYR 91 CO -0.58 -0.08 0.90 -0.84 -1.64 0.00 0.00 178.16 175.91 1ddx h ILE 92 N -0.12 0.33 -0.09 1.81 -2.65 0.14 0.67 117.51 117.60 1ddx h ILE 92 Ca -0.01 -0.03 -0.12 0.00 1.03 0.00 0.00 64.86 65.73 1ddx h ILE 92 Cb 0.11 0.23 -0.01 0.00 -2.05 0.00 0.00 36.82 35.10 1ddx h ILE 92 CO -0.01 0.02 -0.50 -0.07 0.03 0.00 0.00 178.15 177.62 1ddx h LEU 93 N 0.09 0.25 -2.36 0.16 -0.00 0.11 -3.13 115.31 110.43 1ddx h LEU 93 Ca 0.66 -0.12 0.00 0.00 -0.00 0.00 0.00 57.88 58.42 1ddx h LEU 93 Cb 2.37 -0.07 0.00 0.00 -0.00 0.00 0.00 40.66 42.96 1ddx h LEU 93 CO -0.12 0.71 0.00 0.35 -0.00 0.00 0.00 178.44 179.38 1ddx n THR 94 N -3.96 0.58 -2.79 0.22 -2.24 0.23 -0.21 114.28 106.11 1ddx n THR 94 Ca -0.02 -0.78 0.00 0.00 -2.27 0.00 0.00 64.05 60.98 1ddx n THR 94 Cb 0.54 0.87 0.00 0.00 -2.10 0.00 0.00 70.33 69.64 1ddx n THR 94 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1ddx n HIS 95 N 1.49 0.00 -1.79 4.78 8.25 -0.58 -4.78 115.22 122.59 1ddx n HIS 95 Ca 0.20 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.66 1ddx n HIS 95 Cb 0.60 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.71 1ddx n HIS 95 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1ddx n PHE 96 N 0.00 -1.45 -0.18 4.41 3.01 -1.26 -4.68 117.46 117.31 1ddx n PHE 96 Ca 0.00 0.00 0.17 0.00 1.01 0.00 0.00 57.45 58.63 1ddx n PHE 96 Cb 0.00 -0.87 0.32 0.00 -0.01 0.00 0.00 39.48 38.92 1ddx n PHE 96 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 1ddx n LYS 97 N -1.75 -0.03 0.20 -1.08 4.81 -1.26 0.12 118.16 119.17 1ddx n LYS 97 Ca 0.00 0.73 -0.15 0.00 -0.87 0.00 0.00 58.31 58.02 1ddx n LYS 97 Cb 0.29 -1.31 -0.07 0.00 0.02 0.00 0.00 35.03 33.96 1ddx n LYS 97 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 1ddx h GLY 98 N 0.00 -0.65 0.72 3.14 0.00 -2.00 -0.16 103.07 104.11 1ddx h GLY 98 Ca 0.45 0.32 0.03 0.00 0.00 0.00 0.00 47.33 48.13 1ddx h GLY 98 CO -0.40 -0.26 0.00 -2.08 0.00 0.00 0.00 176.54 173.81 1ddx h VAL 99 N -0.61 0.87 -0.78 4.60 2.07 0.51 -0.99 116.25 121.92 1ddx h VAL 99 Ca -0.02 -0.02 0.17 0.00 0.82 0.00 0.00 66.70 67.66 1ddx h VAL 99 Cb 0.55 0.80 -0.05 0.00 -1.52 0.00 0.00 31.29 31.08 1ddx h VAL 99 CO -0.04 0.01 0.53 -0.50 0.02 0.00 0.00 177.57 177.58 1ddx h TRP 100 N 0.06 0.40 -0.25 1.57 -0.00 -1.20 0.60 115.95 117.14 1ddx h TRP 100 Ca 0.09 0.01 -0.10 0.00 -0.00 0.00 0.00 58.89 58.89 1ddx h TRP 100 Cb 0.11 -0.13 -0.01 0.00 -0.00 0.00 0.00 29.16 29.13 1ddx h TRP 100 CO -0.17 0.14 -0.25 -0.97 -0.00 0.00 0.00 178.44 177.19 1ddx h ASN 101 N 0.33 0.48 0.65 -3.49 -1.24 0.32 0.11 115.58 112.73 1ddx h ASN 101 Ca 0.39 -0.16 -0.03 0.00 0.71 0.00 0.00 56.30 57.20 1ddx h ASN 101 Cb 1.02 -0.13 0.01 0.00 0.73 0.00 0.00 38.32 39.95 1ddx h ASN 101 CO -0.11 0.73 -0.31 0.40 -1.29 0.00 0.00 177.43 176.85 1ddx h ILE 102 N 0.42 0.29 -0.82 2.57 2.04 0.72 -3.17 117.51 119.56 1ddx h ILE 102 Ca 0.06 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 65.72 1ddx h ILE 102 Cb 0.67 0.35 -0.04 0.00 -0.74 0.00 0.00 36.82 37.06 1ddx h ILE 102 CO 0.05 0.02 0.47 0.58 0.00 0.00 0.00 178.15 179.27 1ddx h VAL 103 N -1.01 1.24 0.00 1.67 2.07 -1.31 -2.26 116.25 116.64 1ddx h VAL 103 Ca -0.09 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 66.86 1ddx h VAL 103 Cb 0.70 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 1ddx h VAL 103 CO 0.15 0.26 0.02 0.59 0.02 0.00 0.00 177.57 178.60 1ddx n ASN 104 N -4.42 0.00 0.00 0.57 4.13 0.38 -0.67 115.26 115.25 1ddx n ASN 104 Ca 0.08 0.05 0.00 0.00 1.68 0.00 0.00 54.58 56.39 1ddx n ASN 104 Cb 0.08 -0.05 0.00 0.00 -1.54 0.00 0.00 39.78 38.27 1ddx n ASN 104 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1ddx n ASN 105 N -0.94 0.79 -3.98 6.41 3.02 -0.85 -4.91 115.26 114.80 1ddx n ASN 105 Ca 0.00 -1.18 -0.31 0.00 -0.03 0.00 0.00 54.58 53.06 1ddx n ASN 105 Cb 0.02 0.00 -0.11 0.00 -0.61 0.00 0.00 39.78 39.08 1ddx n ASN 105 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1ddx s ILE 105 N -0.18 3.25 0.00 2.41 1.01 0.15 -5.02 121.20 122.83 1ddx s ILE 105 Ca 0.00 -3.86 0.00 0.00 0.00 0.00 0.00 60.65 56.79 1ddx s ILE 105 Cb 0.00 -3.12 0.00 0.00 0.01 0.00 0.00 42.46 39.35 1ddx s ILE 105 CO 0.00 -0.97 0.00 -2.65 0.00 0.00 0.00 174.94 171.32 1ddx n PRO 106 N 2.44 0.00 -0.23 2.79 -0.02 -1.26 0.14 135.00 138.86 1ddx n PRO 106 Ca 0.16 0.00 0.04 0.00 -2.02 0.00 0.00 63.50 61.67 1ddx n PRO 106 Cb 0.35 0.00 0.15 0.00 -0.02 0.00 0.00 33.50 33.98 1ddx n PRO 106 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1ddx h PHE 107 N 0.00 0.17 0.48 6.00 -5.15 -1.95 -0.13 116.94 116.36 1ddx h PHE 107 Ca 0.00 0.04 -0.02 0.00 -0.20 0.00 0.00 57.97 57.80 1ddx h PHE 107 Cb 0.00 0.03 -0.01 0.00 0.22 0.00 0.00 35.95 36.19 1ddx h PHE 107 CO 0.00 -0.10 -0.39 -0.07 -2.00 0.00 0.00 178.31 175.75 1ddx h LEU 108 N 0.22 -1.05 -0.48 2.10 3.38 0.94 0.69 115.31 121.11 1ddx h LEU 108 Ca 0.38 0.08 0.05 0.00 0.09 0.00 0.00 57.88 58.47 1ddx h LEU 108 Cb 0.62 0.33 -0.07 0.00 0.09 0.00 0.00 40.66 41.63 1ddx h LEU 108 CO -0.50 -0.55 -0.43 -0.09 0.09 0.00 0.00 178.44 176.96 1ddx h ARG 109 N -0.85 -0.17 -0.01 1.13 2.43 -0.53 0.69 114.38 117.07 1ddx h ARG 109 Ca -0.06 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.15 1ddx h ARG 109 Cb 0.71 0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 30.24 1ddx h ARG 109 CO -0.00 -0.11 -0.48 0.77 -1.51 0.00 0.00 179.97 178.63 1ddx h SER 110 N -0.18 -1.47 -0.97 -3.80 0.02 -0.95 0.30 113.55 106.49 1ddx h SER 110 Ca 0.08 0.17 0.41 0.00 -0.84 0.00 0.00 61.79 61.61 1ddx h SER 110 Cb 0.39 0.57 -0.18 0.00 0.14 0.00 0.00 62.40 63.32 1ddx h SER 110 CO -0.55 -0.49 0.52 -0.11 -1.14 0.00 0.00 176.83 175.06 1ddx n LEU 111 N -5.46 0.34 0.02 5.07 7.94 0.24 0.59 117.00 125.73 1ddx n LEU 111 Ca -0.06 1.62 -0.01 0.00 -1.11 0.00 0.00 56.01 56.44 1ddx n LEU 111 Cb 0.39 -0.79 -0.00 0.00 0.53 0.00 0.00 43.42 43.55 1ddx n LEU 111 CO 0.14 -1.81 0.14 0.40 -1.11 0.00 0.00 177.39 175.15 1ddx h ILE 112 N 0.00 0.00 -0.89 1.96 1.08 0.14 -2.35 117.51 117.45 1ddx h ILE 112 Ca 0.83 -0.10 0.32 0.00 -0.39 0.00 0.00 64.86 65.52 1ddx h ILE 112 Cb 2.18 0.00 -0.16 0.00 -3.07 0.00 0.00 36.82 35.77 1ddx h ILE 112 CO -0.75 0.00 0.30 0.80 -0.69 0.00 0.00 178.15 177.81 1ddx n MET 113 N -2.43 -0.06 0.44 2.37 1.56 0.78 0.25 117.12 120.04 1ddx n MET 113 Ca -0.01 1.27 -0.19 0.00 -0.27 0.00 0.00 57.70 58.51 1ddx n MET 113 Cb 0.02 -2.18 -0.09 0.00 2.15 0.00 0.00 33.22 33.12 1ddx n MET 113 CO 0.00 0.00 0.00 -0.22 -0.73 0.00 0.00 175.97 175.02 1ddx h LYS 114 N 0.00 -1.08 -0.84 2.12 3.64 0.04 0.50 116.57 120.96 1ddx h LYS 114 Ca 0.67 0.07 0.20 0.00 -1.27 0.00 0.00 60.65 60.33 1ddx h LYS 114 Cb 1.66 0.24 -0.15 0.00 -0.41 0.00 0.00 32.23 33.58 1ddx h LYS 114 CO -0.74 -0.71 -0.01 -0.92 -2.27 0.00 0.00 179.45 174.80 1ddx h TYR 115 N -1.18 -0.09 -0.32 1.91 3.20 0.40 1.20 116.97 122.09 1ddx h TYR 115 Ca -0.11 0.06 -0.00 0.00 3.14 0.00 0.00 58.73 61.81 1ddx h TYR 115 Cb 0.87 0.17 -0.02 0.00 1.54 0.00 0.00 36.73 39.29 1ddx h TYR 115 CO -0.01 -0.31 0.18 -0.39 -1.64 0.00 0.00 178.16 176.00 1ddx h VAL 116 N 0.07 1.13 0.25 1.81 -1.51 0.08 0.73 116.25 118.81 1ddx h VAL 116 Ca 0.47 -0.32 0.01 0.00 -1.23 0.00 0.00 66.70 65.62 1ddx h VAL 116 Cb 0.86 0.75 -0.04 0.00 -2.13 0.00 0.00 31.29 30.73 1ddx h VAL 116 CO -0.76 0.13 -0.46 -0.07 -1.23 0.00 0.00 177.57 175.17 1ddx h LEU 117 N 0.41 -1.32 -1.28 4.19 -0.00 0.63 -2.63 115.31 115.30 1ddx h LEU 117 Ca 0.11 0.13 -0.04 0.00 -0.00 0.00 0.00 57.88 58.08 1ddx h LEU 117 Cb 0.04 0.47 -0.02 0.00 -0.00 0.00 0.00 40.66 41.16 1ddx h LEU 117 CO -0.02 -0.56 0.03 0.71 -0.00 0.00 0.00 178.44 178.60 1ddx h THR 118 N -0.79 1.18 -0.32 0.22 1.35 0.12 -2.89 112.91 111.79 1ddx h THR 118 Ca -0.01 -0.71 0.07 0.00 -0.55 0.00 0.00 66.41 65.21 1ddx h THR 118 Cb 0.75 0.90 -0.08 0.00 -1.73 0.00 0.00 68.15 68.00 1ddx h THR 118 CO -0.18 0.25 -0.21 0.77 -0.25 0.00 0.00 175.52 175.89 1ddx h SER 119 N 0.50 -0.70 0.00 5.36 4.64 0.84 -3.28 113.55 120.90 1ddx h SER 119 Ca 0.11 0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 1ddx h SER 119 Cb 0.28 0.35 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 1ddx h SER 119 CO 0.01 -0.24 0.00 0.54 -0.87 0.00 0.00 176.83 176.26 1ddx n ARG 120 N -5.37 0.00 0.00 4.77 5.12 -1.12 -4.45 116.66 115.62 1ddx n ARG 120 Ca 0.01 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.93 1ddx n ARG 120 Cb 0.28 -0.41 0.00 0.00 -1.16 0.00 0.00 32.46 31.17 1ddx n ARG 120 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 1ddx n SER 121 N -0.07 0.00 -0.12 0.55 7.64 -1.10 -2.05 113.62 118.46 1ddx n SER 121 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1ddx n SER 121 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1ddx n SER 121 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ddx n TYR 122 N 0.00 0.00 -0.11 1.43 0.18 -1.26 -3.00 117.16 114.39 1ddx n TYR 122 Ca 0.00 0.00 -0.20 0.00 1.88 0.00 0.00 57.90 59.58 1ddx n TYR 122 Cb 0.00 0.00 -0.07 0.00 -0.38 0.00 0.00 39.34 38.89 1ddx n TYR 122 CO 0.00 0.00 0.00 -0.11 -2.08 0.00 0.00 176.86 174.67 1ddx n LEU 123 N -0.16 1.92 -4.72 -3.48 7.94 -0.87 -5.02 117.00 112.62 1ddx n LEU 123 Ca 0.00 0.38 -0.31 0.00 -1.11 0.00 0.00 56.01 54.96 1ddx n LEU 123 Cb 0.00 -0.82 0.12 0.00 0.53 0.00 0.00 43.42 43.25 1ddx n LEU 123 CO 0.00 0.17 0.70 -0.63 -1.11 0.00 0.00 177.39 176.52 1ddx s ILE 124 N -2.59 2.66 -1.14 1.96 -1.09 -1.16 -4.96 121.20 114.87 1ddx s ILE 124 Ca -0.32 0.23 -0.06 0.00 -2.23 0.00 0.00 60.65 58.26 1ddx s ILE 124 Cb 0.09 -2.51 0.27 0.00 -1.58 0.00 0.00 42.46 38.73 1ddx s ILE 124 CO 0.46 -0.27 1.55 0.47 -1.23 0.00 0.00 174.94 175.92 1ddx n ASP 125 N -3.73 5.96 -4.38 3.58 8.00 -1.26 -4.99 116.55 119.73 1ddx n ASP 125 Ca 0.11 -3.28 -0.34 0.00 0.71 0.00 0.00 54.79 51.99 1ddx n ASP 125 Cb 0.52 -1.35 -0.14 0.00 -0.02 0.00 0.00 41.12 40.14 1ddx n ASP 125 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1ddx s SER 126 N -0.63 4.24 0.55 -2.24 0.15 -1.26 -1.78 113.70 112.72 1ddx s SER 126 Ca 0.34 -0.30 -0.21 0.00 0.70 0.00 0.00 55.95 56.47 1ddx s SER 126 Cb 0.04 -1.68 -0.05 0.00 -1.71 0.00 0.00 66.02 62.63 1ddx s SER 126 CO 0.06 0.12 1.30 -2.16 1.20 0.00 0.00 173.24 173.76 1ddx s PRO 127 N 0.63 3.14 0.69 5.44 0.04 -1.26 -4.94 135.00 138.75 1ddx s PRO 127 Ca -0.05 2.08 -0.17 0.00 0.04 0.00 0.00 61.00 62.90 1ddx s PRO 127 Cb -0.15 -2.19 -0.14 0.00 0.04 0.00 0.00 34.50 32.07 1ddx s PRO 127 CO 0.03 -1.14 -0.28 -0.35 0.04 0.00 0.00 177.00 175.30 1ddx n PRO 128 N -1.12 0.03 0.00 0.56 -0.04 -0.74 -5.03 135.00 128.66 1ddx n PRO 128 Ca 0.11 0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 1ddx n PRO 128 Cb 0.46 -1.09 0.00 0.00 -0.04 0.00 0.00 33.50 32.83 1ddx n PRO 128 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1ddx n THR 129 N -1.94 0.00 -1.57 0.52 -2.24 -1.26 -4.76 114.28 103.03 1ddx n THR 129 Ca 0.05 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.54 1ddx n THR 129 Cb 0.50 0.00 0.12 0.00 -2.10 0.00 0.00 70.33 68.86 1ddx n THR 129 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1ddx s TYR 130 N 1.42 2.61 0.18 4.78 1.51 -1.26 -4.23 117.35 122.36 1ddx s TYR 130 Ca 0.00 0.90 -0.04 0.00 -1.01 0.00 0.00 57.07 56.93 1ddx s TYR 130 Cb 0.00 -3.35 0.01 0.00 -0.11 0.00 0.00 41.96 38.52 1ddx s TYR 130 CO 0.00 -2.21 0.30 0.27 -1.11 0.00 0.00 175.55 172.80 1ddx n ASN 131 N -3.67 -0.85 -0.03 2.29 0.23 -0.98 0.30 115.26 112.55 1ddx n ASN 131 Ca 0.07 -1.85 -0.01 0.00 -0.53 0.00 0.00 54.58 52.26 1ddx n ASN 131 Cb 0.59 1.49 -0.01 0.00 -2.08 0.00 0.00 39.78 39.76 1ddx n ASN 131 CO 0.00 0.00 0.00 0.58 -0.93 0.00 0.00 177.26 176.91 1ddx h VAL 132 N 1.48 0.00 0.00 3.53 2.07 -1.91 -2.04 116.25 119.38 1ddx h VAL 132 Ca -0.14 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.38 1ddx h VAL 132 Cb 0.58 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.35 1ddx h VAL 132 CO 0.19 0.00 0.00 1.41 0.02 0.00 0.00 177.57 179.19 1ddx n HIS 133 N -3.14 0.51 -4.07 1.57 8.25 -1.26 -4.62 115.22 112.44 1ddx n HIS 133 Ca 0.00 0.18 -0.32 0.00 -0.26 0.00 0.00 57.72 57.31 1ddx n HIS 133 Cb 0.02 -0.78 -0.15 0.00 1.12 0.00 0.00 29.99 30.20 1ddx n HIS 133 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1ddx s TYR 134 N -3.13 2.97 -0.81 4.41 1.51 -0.77 -4.94 117.35 116.60 1ddx s TYR 134 Ca 0.08 -1.99 0.24 0.00 -1.01 0.00 0.00 57.07 54.39 1ddx s TYR 134 Cb 0.12 -1.88 0.34 0.00 -0.11 0.00 0.00 41.96 40.43 1ddx s TYR 134 CO 0.44 -0.84 1.29 0.41 -1.11 0.00 0.00 175.55 175.74 1ddx n GLY 135 N 4.53 -1.29 3.59 0.71 0.00 -1.26 -2.33 105.19 109.15 1ddx n GLY 135 Ca -0.16 -0.34 -0.24 0.00 0.00 0.00 0.00 46.02 45.28 1ddx n GLY 135 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ddx s TYR 136 N -3.09 2.58 0.28 1.61 -0.85 -1.26 -4.88 117.35 111.74 1ddx s TYR 136 Ca 0.08 -0.25 -0.29 0.00 -0.52 0.00 0.00 57.07 56.08 1ddx s TYR 136 Cb 0.15 -1.15 -0.10 0.00 0.38 0.00 0.00 41.96 41.25 1ddx s TYR 136 CO 0.73 0.63 1.31 0.15 -1.52 0.00 0.00 175.55 176.86 1ddx s LYS 137 N -3.54 4.38 0.05 -3.49 3.01 -1.26 -4.76 119.74 114.13 1ddx s LYS 137 Ca 0.30 2.15 -0.13 0.00 -1.01 0.00 0.00 55.97 57.28 1ddx s LYS 137 Cb -0.06 -3.12 0.02 0.00 -1.01 0.00 0.00 37.83 33.66 1ddx s LYS 137 CO 0.18 -0.20 0.29 -1.54 0.51 0.00 0.00 175.35 174.58 1ddx s SER 138 N -0.18 -0.09 0.01 2.83 1.04 -1.26 -5.03 113.70 111.02 1ddx s SER 138 Ca 0.52 -0.24 -0.25 0.00 0.48 0.00 0.00 55.95 56.46 1ddx s SER 138 Cb -0.39 0.35 -0.17 0.00 0.10 0.00 0.00 66.02 65.92 1ddx s SER 138 CO 0.47 -0.62 1.29 -0.25 0.98 0.00 0.00 173.24 175.11 1ddx h TRP 139 N 3.21 -0.32 -1.01 5.02 2.91 -1.98 -0.26 115.95 123.52 1ddx h TRP 139 Ca -0.32 -0.01 0.34 0.00 1.13 0.00 0.00 58.89 60.03 1ddx h TRP 139 Cb 1.20 0.11 -0.15 0.00 -0.51 0.00 0.00 29.16 29.80 1ddx h TRP 139 CO 0.45 0.00 0.57 1.49 -1.03 0.00 0.00 178.44 179.93 1ddx h GLU 140 N -0.67 0.27 0.00 2.65 4.57 -1.98 0.69 114.58 120.12 1ddx h GLU 140 Ca -0.04 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 1ddx h GLU 140 Cb 0.47 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.00 1ddx h GLU 140 CO 0.06 0.18 0.00 0.00 -1.18 0.00 0.00 179.01 178.07 1ddx n ALA 141 N -2.29 0.00 -0.23 2.92 0.00 -0.91 -1.63 120.51 118.38 1ddx n ALA 141 Ca 0.33 0.00 0.27 0.00 0.00 0.00 0.00 53.44 54.04 1ddx n ALA 141 Cb 1.03 0.00 0.42 0.00 0.00 0.00 0.00 19.45 20.90 1ddx n ALA 141 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1ddx n PHE 142 N -0.23 0.00 -0.04 0.00 7.35 -0.16 -2.34 117.46 122.04 1ddx n PHE 142 Ca 0.00 0.00 -0.01 0.00 -0.76 0.00 0.00 57.45 56.68 1ddx n PHE 142 Cb 0.00 -0.25 -0.00 0.00 0.35 0.00 0.00 39.48 39.57 1ddx n PHE 142 CO 0.00 0.00 0.00 0.66 -0.76 0.00 0.00 176.76 176.66 1ddx h SER 143 N 0.00 0.00 -1.37 -2.13 4.64 0.37 -3.47 113.55 111.59 1ddx h SER 143 Ca 0.48 0.00 -0.76 0.00 -0.47 0.00 0.00 61.79 61.04 1ddx h SER 143 Cb 2.75 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 64.85 1ddx h SER 143 CO -0.01 0.37 0.92 -3.20 -0.87 0.00 0.00 176.83 174.05 1ddx n ASN 144 N -3.68 2.14 -0.29 4.97 2.85 -0.64 -4.86 115.26 115.73 1ddx n ASN 144 Ca -0.02 1.04 0.12 0.00 -0.11 0.00 0.00 54.58 55.60 1ddx n ASN 144 Cb 0.07 -1.10 0.16 0.00 1.24 0.00 0.00 39.78 40.15 1ddx n ASN 144 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1ddx n LEU 145 N 5.56 1.37 0.13 1.20 4.77 -1.26 -3.87 117.00 124.90 1ddx n LEU 145 Ca 0.29 -0.46 0.13 0.00 -0.03 0.00 0.00 56.01 55.94 1ddx n LEU 145 Cb 0.10 -0.07 0.29 0.00 -2.33 0.00 0.00 43.42 41.41 1ddx n LEU 145 CO 0.82 0.27 0.77 0.77 -1.33 0.00 0.00 177.39 178.69 1ddx h SER 146 N 1.45 0.00 -4.30 -1.43 4.64 -1.89 -3.44 113.55 108.58 1ddx h SER 146 Ca 0.00 -0.02 -0.46 0.00 -0.47 0.00 0.00 61.79 60.84 1ddx h SER 146 Cb 0.60 0.00 0.13 0.00 -0.31 0.00 0.00 62.40 62.82 1ddx h SER 146 CO 0.00 0.01 0.34 -0.31 -0.87 0.00 0.00 176.83 176.00 1ddx s TYR 147 N -3.15 2.43 -0.12 4.77 1.51 -1.25 0.75 117.35 122.29 1ddx s TYR 147 Ca 0.09 0.73 0.02 0.00 -1.01 0.00 0.00 57.07 56.90 1ddx s TYR 147 Cb 0.10 -3.52 -0.01 0.00 -0.11 0.00 0.00 41.96 38.42 1ddx s TYR 147 CO 0.64 -2.30 -0.19 0.71 -1.11 0.00 0.00 175.55 173.31 1ddx s TYR 148 N -3.44 2.69 0.69 2.71 2.02 -0.18 -4.27 117.35 117.57 1ddx s TYR 148 Ca 0.65 -0.89 -0.13 0.00 -0.37 0.00 0.00 57.07 56.33 1ddx s TYR 148 Cb -0.12 -1.79 0.01 0.00 -0.40 0.00 0.00 41.96 39.67 1ddx s TYR 148 CO 0.52 -0.35 1.08 -0.08 -1.57 0.00 0.00 175.55 175.16 1ddx s THR 149 N 0.41 3.55 -0.17 -0.71 -1.32 -0.10 -4.27 115.64 113.04 1ddx s THR 149 Ca -0.14 0.60 0.01 0.00 -1.21 0.00 0.00 61.69 60.95 1ddx s THR 149 Cb -0.17 -3.16 0.02 0.00 -1.51 0.00 0.00 72.50 67.68 1ddx s THR 149 CO 0.06 -0.56 -0.16 -0.13 -2.21 0.00 0.00 174.62 171.62 1ddx s ARG 150 N -4.55 2.57 0.60 7.08 1.81 0.15 -0.49 118.95 126.10 1ddx s ARG 150 Ca 0.62 -0.71 0.29 0.00 -1.72 0.00 0.00 55.73 54.22 1ddx s ARG 150 Cb -0.17 -2.34 1.59 0.00 -0.45 0.00 0.00 34.95 33.58 1ddx s ARG 150 CO 0.48 -0.25 2.00 0.00 -0.68 0.00 0.00 175.30 176.86 1ddx h ALA 151 N 7.99 1.90 -3.75 2.13 0.00 -1.95 -3.39 119.26 122.18 1ddx h ALA 151 Ca -0.40 -0.01 -0.28 0.00 0.00 0.00 0.00 54.91 54.21 1ddx h ALA 151 Cb 1.13 0.02 -0.29 0.00 0.00 0.00 0.00 17.79 18.65 1ddx h ALA 151 CO 0.57 -0.47 -0.74 -0.51 0.00 0.00 0.00 179.25 178.10 1ddx s LEU 152 N -7.32 1.86 0.70 0.00 1.43 -1.26 -5.02 118.68 109.07 1ddx s LEU 152 Ca -0.04 -0.04 -0.16 0.00 -1.03 0.00 0.00 54.13 52.86 1ddx s LEU 152 Cb 0.15 -0.13 0.02 0.00 0.03 0.00 0.00 46.19 46.26 1ddx s LEU 152 CO 0.52 0.00 1.25 -2.16 0.23 0.00 0.00 176.35 176.19 1ddx s PRO 153 N 0.13 2.24 0.00 1.29 0.04 -1.26 -4.90 135.00 132.55 1ddx s PRO 153 Ca -0.01 1.90 0.00 0.00 0.04 0.00 0.00 61.00 62.93 1ddx s PRO 153 Cb -0.03 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.68 1ddx s PRO 153 CO -0.00 -1.79 0.00 -0.35 0.04 0.00 0.00 177.00 174.89 1ddx n PRO 154 N -2.44 -0.29 -4.97 0.56 -0.04 -1.26 -4.66 135.00 121.90 1ddx n PRO 154 Ca 0.15 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.28 1ddx n PRO 154 Cb 0.49 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.80 1ddx n PRO 154 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1ddx s VAL 155 N -0.69 2.63 -0.18 0.52 1.01 -1.14 -4.94 120.40 117.60 1ddx s VAL 155 Ca 0.00 -0.82 -0.41 0.00 0.00 0.00 0.00 61.98 60.75 1ddx s VAL 155 Cb 0.00 -2.06 -0.18 0.00 0.00 0.00 0.00 36.38 34.14 1ddx s VAL 155 CO 0.00 0.54 1.48 0.00 0.00 0.00 0.00 175.10 177.12 1ddx n ALA 156 N 3.45 -1.32 0.11 5.51 0.00 -1.26 -4.71 120.51 122.29 1ddx n ALA 156 Ca -0.18 0.49 0.07 0.00 0.00 0.00 0.00 53.44 53.82 1ddx n ALA 156 Cb 0.53 -2.03 0.40 0.00 0.00 0.00 0.00 19.45 18.35 1ddx n ALA 156 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1ddx n ASP 157 N 3.60 0.38 0.03 0.00 8.00 -1.26 0.12 116.55 127.43 1ddx n ASP 157 Ca 0.24 0.68 0.12 0.00 0.71 0.00 0.00 54.79 56.54 1ddx n ASP 157 Cb 0.09 -0.73 0.24 0.00 -0.02 0.00 0.00 41.12 40.70 1ddx n ASP 157 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1ddx n ASP 158 N -2.01 0.57 -4.72 -2.24 5.75 -1.26 -4.90 116.55 107.74 1ddx n ASP 158 Ca -0.01 0.01 -0.37 0.00 -0.01 0.00 0.00 54.79 54.41 1ddx n ASP 158 Cb 0.03 0.14 0.07 0.00 -1.03 0.00 0.00 41.12 40.32 1ddx n ASP 158 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ddx h PRO 160 N 0.57 -0.08 -6.43 0.00 0.13 -1.84 -3.46 132.00 120.90 1ddx h PRO 160 Ca -0.51 0.01 -0.67 0.00 -0.87 0.00 0.00 66.00 63.96 1ddx h PRO 160 Cb 1.34 0.02 -0.17 0.00 0.13 0.00 0.00 31.00 32.32 1ddx h PRO 160 CO 0.53 0.43 -0.72 0.95 -0.23 0.00 0.00 178.00 178.96 1ddx s THR 161 N -3.93 3.48 0.59 1.56 -4.23 -0.31 -4.85 115.64 107.95 1ddx s THR 161 Ca -0.15 -1.03 0.35 0.00 -1.18 0.00 0.00 61.69 59.68 1ddx s THR 161 Cb 0.01 -2.57 0.52 0.00 1.34 0.00 0.00 72.50 71.80 1ddx s THR 161 CO 0.62 0.25 1.49 -0.65 -0.54 0.00 0.00 174.62 175.79 1ddx h PRO 162 N 4.06 0.00 -0.46 3.99 0.11 -1.84 1.41 132.00 139.27 1ddx h PRO 162 Ca -0.48 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.36 1ddx h PRO 162 Cb 1.17 0.00 -0.16 0.00 0.11 0.00 0.00 31.00 32.11 1ddx h PRO 162 CO 0.53 0.00 -0.06 -1.33 -0.21 0.00 0.00 178.00 176.93 1ddx n MET 163 N -3.58 2.06 0.00 1.05 2.81 -1.26 -4.89 117.12 113.31 1ddx n MET 163 Ca 0.29 -3.29 0.00 0.00 -1.81 0.00 0.00 57.70 52.89 1ddx n MET 163 Cb 1.58 -1.91 0.00 0.00 -0.71 0.00 0.00 33.22 32.18 1ddx n MET 163 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1ddx n GLY 164 N -1.08 1.78 0.56 3.03 0.00 0.48 -4.29 105.19 105.67 1ddx n GLY 164 Ca 0.38 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1ddx n GLY 164 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1ddx n VAL 165 N 0.00 0.00 -2.13 1.61 0.24 -1.26 -1.16 118.33 115.63 1ddx n VAL 165 Ca 0.00 0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 61.89 1ddx n VAL 165 Cb 0.00 -0.45 -0.03 0.00 -1.47 0.00 0.00 33.84 31.89 1ddx n VAL 165 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1ddx s LYS 166 N -1.62 4.35 0.00 7.34 1.02 -1.26 -4.63 119.74 124.94 1ddx s LYS 166 Ca 0.00 2.17 0.00 0.00 0.02 0.00 0.00 55.97 58.16 1ddx s LYS 166 Cb 0.00 -3.13 0.00 0.00 -0.52 0.00 0.00 37.83 34.18 1ddx s LYS 166 CO 0.00 -0.28 0.00 0.41 -0.92 0.00 0.00 175.35 174.56 1ddx n GLY 167 N 1.85 -0.55 3.98 -3.33 0.00 -1.26 -4.29 105.19 101.60 1ddx n GLY 167 Ca 0.04 -2.22 -0.20 0.00 0.00 0.00 0.00 46.02 43.64 1ddx n GLY 167 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ddx s ASN 168 N -3.60 5.20 0.30 1.61 0.01 -1.26 -4.94 114.94 112.26 1ddx s ASN 168 Ca 0.00 -0.75 0.12 0.00 -0.71 0.00 0.00 52.86 51.52 1ddx s ASN 168 Cb 0.00 -0.14 0.64 0.00 0.41 0.00 0.00 41.25 42.16 1ddx s ASN 168 CO 0.00 -1.00 1.25 0.29 -1.51 0.00 0.00 177.10 176.12 1ddx n LYS 169 N -1.93 0.08 -2.16 -0.60 5.02 -1.26 -4.27 118.16 113.04 1ddx n LYS 169 Ca 0.09 0.54 -0.04 0.00 -2.02 0.00 0.00 58.31 56.89 1ddx n LYS 169 Cb 0.61 -2.07 -0.01 0.00 -0.02 0.00 0.00 35.03 33.55 1ddx n LYS 169 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1ddx n GLU 170 N -1.99 0.20 -4.40 1.97 1.02 -1.26 -4.68 120.64 111.50 1ddx n GLU 170 Ca -0.01 -0.73 -0.28 0.00 -0.02 0.00 0.00 57.16 56.12 1ddx n GLU 170 Cb 0.32 0.73 -0.12 0.00 -0.02 0.00 0.00 31.44 32.34 1ddx n GLU 170 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1ddx s LEU 171 N 0.00 2.40 0.20 -4.62 2.01 -1.26 -4.88 118.68 112.53 1ddx s LEU 171 Ca 0.07 -0.80 -0.30 0.00 0.01 0.00 0.00 54.13 53.11 1ddx s LEU 171 Cb -0.00 -1.21 -0.16 0.00 0.01 0.00 0.00 46.19 44.82 1ddx s LEU 171 CO 0.05 0.15 0.87 -0.81 1.01 0.00 0.00 176.35 177.62 1ddx n PRO 172 N 0.57 0.69 -1.66 1.29 -0.04 -1.26 -4.82 135.00 129.78 1ddx n PRO 172 Ca -0.15 0.25 -0.40 0.00 -0.04 0.00 0.00 63.50 63.15 1ddx n PRO 172 Cb 0.54 -1.52 0.02 0.00 -0.04 0.00 0.00 33.50 32.51 1ddx n PRO 172 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1ddx n ASP 173 N 1.72 1.83 -0.05 3.54 4.64 -1.26 -4.89 116.55 122.08 1ddx n ASP 173 Ca 0.15 1.01 -0.13 0.00 -1.38 0.00 0.00 54.79 54.44 1ddx n ASP 173 Cb 0.26 -1.44 -0.07 0.00 -1.04 0.00 0.00 41.12 38.82 1ddx n ASP 173 CO 0.00 0.00 0.00 0.77 -0.82 0.00 0.00 177.20 177.15 1ddx h SER 174 N 1.54 0.34 -0.96 1.67 4.64 -1.97 -3.21 113.55 115.60 1ddx h SER 174 Ca -0.47 -0.49 0.18 0.00 -0.47 0.00 0.00 61.79 60.53 1ddx h SER 174 Cb 1.32 -0.10 -0.17 0.00 -0.31 0.00 0.00 62.40 63.14 1ddx h SER 174 CO 0.57 0.76 -0.29 0.50 -0.87 0.00 0.00 176.83 177.50 1ddx h LYS 175 N -0.08 -0.01 0.00 4.77 3.64 -1.96 0.65 116.57 123.58 1ddx h LYS 175 Ca 0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1ddx h LYS 175 Cb 0.67 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.49 1ddx h LYS 175 CO 0.03 -0.00 0.00 0.39 -2.27 0.00 0.00 179.45 177.60 1ddx n GLU 176 N -5.56 0.00 -0.10 1.90 -0.58 -1.22 -1.05 120.64 114.03 1ddx n GLU 176 Ca 0.13 0.05 0.00 0.00 -0.42 0.00 0.00 57.16 56.92 1ddx n GLU 176 Cb 0.45 -0.63 0.02 0.00 -0.57 0.00 0.00 31.44 30.71 1ddx n GLU 176 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1ddx n VAL 177 N -0.18 -0.14 -0.16 2.62 0.31 -0.93 0.19 118.33 120.04 1ddx n VAL 177 Ca 0.00 0.63 -0.07 0.00 -0.01 0.00 0.00 64.34 64.90 1ddx n VAL 177 Cb 0.00 -0.85 -0.05 0.00 -0.91 0.00 0.00 33.84 32.03 1ddx n VAL 177 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 1ddx h LEU 178 N 0.00 -1.10 0.15 7.52 6.46 0.48 0.84 115.31 129.66 1ddx h LEU 178 Ca 0.10 0.16 -0.01 0.00 -0.12 0.00 0.00 57.88 58.02 1ddx h LEU 178 Cb 0.17 0.47 0.00 0.00 -0.73 0.00 0.00 40.66 40.58 1ddx h LEU 178 CO -0.27 -0.16 -0.07 -0.33 -0.62 0.00 0.00 178.44 176.98 1ddx h GLU 179 N -0.09 -0.19 -0.07 1.25 5.08 0.38 0.68 114.58 121.62 1ddx h GLU 179 Ca 0.07 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.46 1ddx h GLU 179 Cb 0.26 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 1ddx h GLU 179 CO -0.43 -0.13 0.69 1.63 -1.00 0.00 0.00 179.01 179.77 1ddx n LYS 180 N -2.92 0.02 0.00 2.33 4.76 0.21 -2.91 118.16 119.65 1ddx n LYS 180 Ca -0.02 0.64 0.00 0.00 -2.87 0.00 0.00 58.31 56.06 1ddx n LYS 180 Cb 0.08 -1.72 0.00 0.00 -1.84 0.00 0.00 35.03 31.55 1ddx n LYS 180 CO 0.00 0.00 0.00 1.33 -1.37 0.00 0.00 177.40 177.36 1ddx n VAL 181 N -1.92 0.00 -0.04 -0.18 0.24 0.27 -4.94 118.33 111.76 1ddx n VAL 181 Ca 0.02 0.00 -0.07 0.00 -2.04 0.00 0.00 64.34 62.24 1ddx n VAL 181 Cb 0.71 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 33.05 1ddx n VAL 181 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1ddx n LEU 182 N 0.00 1.57 -4.57 1.34 4.77 0.21 0.50 117.00 120.82 1ddx n LEU 182 Ca 0.00 0.25 -0.50 0.00 -0.03 0.00 0.00 56.01 55.73 1ddx n LEU 182 Cb 0.17 -0.58 -0.05 0.00 -2.33 0.00 0.00 43.42 40.64 1ddx n LEU 182 CO 0.00 -0.35 0.71 0.18 -1.33 0.00 0.00 177.39 176.60 1ddx n LEU 183 N -4.05 1.33 -4.71 2.23 4.77 0.48 0.80 117.00 117.86 1ddx n LEU 183 Ca -0.12 1.14 -0.42 0.00 -0.03 0.00 0.00 56.01 56.58 1ddx n LEU 183 Cb 0.38 -1.18 -0.03 0.00 -2.33 0.00 0.00 43.42 40.26 1ddx n LEU 183 CO 0.11 -1.37 0.96 -0.60 -1.33 0.00 0.00 177.39 175.16 1ddx s ARG 184 N -0.25 4.38 0.00 3.23 3.52 0.28 -4.02 118.95 126.09 1ddx s ARG 184 Ca 0.76 1.88 0.00 0.00 -0.13 0.00 0.00 55.73 58.23 1ddx s ARG 184 Cb -0.90 -3.34 0.00 0.00 -1.56 0.00 0.00 34.95 29.16 1ddx s ARG 184 CO 0.52 -0.34 0.00 0.54 -0.81 0.00 0.00 175.30 175.21 1ddx n ARG 185 N 4.07 0.00 -3.53 5.12 5.12 -1.23 -4.78 116.66 121.43 1ddx n ARG 185 Ca 0.10 0.06 -0.37 0.00 -1.93 0.00 0.00 57.85 55.71 1ddx n ARG 185 Cb 0.45 -0.40 -0.09 0.00 -1.16 0.00 0.00 32.46 31.26 1ddx n ARG 185 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1ddx s GLU 186 N -0.58 4.08 0.04 5.56 2.02 -1.26 -5.02 118.70 123.54 1ddx s GLU 186 Ca 0.00 -0.09 -0.36 0.00 0.02 0.00 0.00 54.97 54.54 1ddx s GLU 186 Cb 0.00 -3.56 -0.15 0.00 0.10 0.00 0.00 34.13 30.51 1ddx s GLU 186 CO 0.00 -0.04 1.51 0.34 0.02 0.00 0.00 175.26 177.09 1ddx n PHE 187 N 4.55 1.86 -3.82 1.61 -0.00 -1.26 -4.94 117.46 115.46 1ddx n PHE 187 Ca -0.12 0.47 -0.36 0.00 -0.00 0.00 0.00 57.45 57.44 1ddx n PHE 187 Cb 0.52 -2.43 -0.12 0.00 -0.00 0.00 0.00 39.48 37.44 1ddx n PHE 187 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.76 177.18 1ddx s ILE 188 N 1.36 4.27 0.43 -2.13 1.01 -1.26 -5.07 121.20 119.82 1ddx s ILE 188 Ca 0.86 -0.19 -0.19 0.00 0.00 0.00 0.00 60.65 61.13 1ddx s ILE 188 Cb -0.88 -2.98 -0.10 0.00 0.01 0.00 0.00 42.46 38.51 1ddx s ILE 188 CO 0.48 0.36 0.92 -2.16 0.00 0.00 0.00 174.94 174.54 1ddx s PRO 189 N 1.44 4.12 -0.06 2.79 0.04 -1.26 -0.42 135.00 141.66 1ddx s PRO 189 Ca 0.05 0.99 -0.30 0.00 0.04 0.00 0.00 61.00 61.79 1ddx s PRO 189 Cb -0.15 -2.21 -0.04 0.00 0.04 0.00 0.00 34.50 32.14 1ddx s PRO 189 CO 0.03 -0.06 1.26 0.34 0.04 0.00 0.00 177.00 178.62 1ddx s ASP 190 N -2.43 6.98 0.55 6.66 2.15 0.05 -3.81 116.67 126.82 1ddx s ASP 190 Ca 0.60 1.88 0.24 0.00 0.43 0.00 0.00 52.55 55.70 1ddx s ASP 190 Cb -0.09 -2.56 1.46 0.00 -0.30 0.00 0.00 42.92 41.43 1ddx s ASP 190 CO 0.18 -0.64 2.07 1.55 -0.17 0.00 0.00 175.17 178.16 1ddx h PRO 191 N 7.67 0.00 0.00 4.34 0.13 -1.82 -2.30 132.00 140.01 1ddx h PRO 191 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1ddx h PRO 191 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1ddx h PRO 191 CO 0.90 0.00 0.00 1.04 -0.23 0.00 0.00 178.00 179.71 1ddx n GLN 192 N -4.22 0.01 -0.65 0.86 6.02 -1.23 -4.88 117.38 113.30 1ddx n GLN 192 Ca 0.04 0.29 0.00 0.00 -0.01 0.00 0.00 57.00 57.31 1ddx n GLN 192 Cb 0.38 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.14 1ddx n GLN 192 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ddx n GLY 193 N -0.24 0.68 3.51 1.08 0.00 -0.87 -4.84 105.19 104.50 1ddx n GLY 193 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1ddx n GLY 193 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ddx n SER 194 N 0.00 1.77 -2.95 1.61 7.64 -1.26 -0.43 113.62 120.01 1ddx n SER 194 Ca 0.00 -0.04 -0.14 0.00 1.01 0.00 0.00 58.87 59.70 1ddx n SER 194 Cb 0.00 -1.32 0.11 0.00 -1.01 0.00 0.00 64.21 61.99 1ddx n SER 194 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1ddx n ASN 195 N 12.60 -0.42 0.05 6.43 0.23 -1.03 0.12 115.26 133.25 1ddx n ASN 195 Ca 0.46 -1.11 -0.05 0.00 -0.53 0.00 0.00 54.58 53.35 1ddx n ASN 195 Cb 0.32 -0.49 0.16 0.00 -2.08 0.00 0.00 39.78 37.68 1ddx n ASN 195 CO 0.00 0.00 0.00 0.24 -0.93 0.00 0.00 177.26 176.57 1ddx h MET 196 N 0.00 0.37 0.00 -3.83 2.86 -0.91 -3.01 114.93 110.41 1ddx h MET 196 Ca -0.21 -0.19 0.00 0.00 -2.06 0.00 0.00 59.70 57.24 1ddx h MET 196 Cb 0.58 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.25 1ddx h MET 196 CO 0.14 0.75 0.00 -1.33 1.06 0.00 0.00 176.91 177.53 1ddx n MET 197 N -4.00 0.00 -0.41 1.72 2.81 -1.02 -0.70 117.12 115.51 1ddx n MET 197 Ca -0.02 0.77 -0.11 0.00 -1.81 0.00 0.00 57.70 56.53 1ddx n MET 197 Cb 0.52 -1.48 -0.10 0.00 -0.71 0.00 0.00 33.22 31.46 1ddx n MET 197 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1ddx n PHE 198 N -2.50 -0.42 0.00 2.03 7.35 -1.22 -0.68 117.46 122.02 1ddx n PHE 198 Ca 0.00 1.24 0.00 0.00 -0.76 0.00 0.00 57.45 57.93 1ddx n PHE 198 Cb 0.00 -0.59 0.00 0.00 0.35 0.00 0.00 39.48 39.24 1ddx n PHE 198 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1ddx n ALA 199 N -3.26 -0.07 -0.18 3.13 0.00 -0.82 -0.67 120.51 118.65 1ddx n ALA 199 Ca 0.02 0.00 0.23 0.00 0.00 0.00 0.00 53.44 53.69 1ddx n ALA 199 Cb 0.26 0.43 0.62 0.00 0.00 0.00 0.00 19.45 20.76 1ddx n ALA 199 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1ddx h PHE 200 N 0.00 0.25 0.00 0.00 0.04 0.08 0.19 116.94 117.50 1ddx h PHE 200 Ca 0.00 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.78 1ddx h PHE 200 Cb 0.00 -0.08 0.00 0.00 2.20 0.00 0.00 35.95 38.07 1ddx h PHE 200 CO -0.76 0.07 0.00 0.34 -0.60 0.00 0.00 178.31 177.35 1ddx n PHE 201 N -4.40 0.00 -0.15 -0.55 7.35 0.15 0.11 117.46 119.97 1ddx n PHE 201 Ca 0.17 0.00 -0.00 0.00 -0.76 0.00 0.00 57.45 56.86 1ddx n PHE 201 Cb 0.77 -0.07 0.02 0.00 0.35 0.00 0.00 39.48 40.55 1ddx n PHE 201 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1ddx n ALA 202 N -0.72 -0.04 0.12 3.13 0.00 0.16 0.14 120.51 123.30 1ddx n ALA 202 Ca 0.00 0.39 -0.09 0.00 0.00 0.00 0.00 53.44 53.74 1ddx n ALA 202 Cb 0.00 -0.18 -0.05 0.00 0.00 0.00 0.00 19.45 19.22 1ddx n ALA 202 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1ddx h GLN 203 N 0.00 -0.45 0.05 0.00 5.75 -0.49 0.96 115.11 120.94 1ddx h GLN 203 Ca 0.14 0.03 0.02 0.00 -0.15 0.00 0.00 58.65 58.69 1ddx h GLN 203 Cb 0.24 0.10 -0.05 0.00 1.07 0.00 0.00 27.48 28.84 1ddx h GLN 203 CO -0.39 -0.30 -0.46 1.25 -2.65 0.00 0.00 178.83 176.28 1ddx h HIS 204 N -0.46 -1.31 0.13 3.99 2.76 0.87 -2.50 115.15 118.62 1ddx h HIS 204 Ca -0.02 0.04 -0.00 0.00 -2.20 0.00 0.00 60.37 58.18 1ddx h HIS 204 Cb 0.42 0.57 -0.01 0.00 1.55 0.00 0.00 27.41 29.93 1ddx h HIS 204 CO -0.22 -0.53 -0.20 0.35 -1.30 0.00 0.00 177.93 176.03 1ddx h PHE 205 N -0.64 -0.55 0.00 5.26 3.57 0.16 -1.69 116.94 123.04 1ddx h PHE 205 Ca 0.03 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1ddx h PHE 205 Cb 0.69 0.22 0.00 0.00 2.79 0.00 0.00 35.95 39.66 1ddx h PHE 205 CO -0.43 -0.24 0.42 1.79 -2.23 0.00 0.00 178.31 177.61 1ddx h THR 206 N -0.34 0.00 0.00 4.41 1.35 -0.80 -2.17 112.91 115.36 1ddx h THR 206 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.85 1ddx h THR 206 Cb 0.31 0.33 0.00 0.00 -1.73 0.00 0.00 68.15 67.06 1ddx h THR 206 CO -0.06 0.00 0.00 1.41 -0.25 0.00 0.00 175.52 176.62 1ddx n HIS 207 N -2.28 0.00 -0.09 4.73 8.25 -0.63 -2.01 115.22 123.19 1ddx n HIS 207 Ca -0.01 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.35 1ddx n HIS 207 Cb 0.44 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.51 1ddx n HIS 207 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ddx n GLN 208 N -0.80 0.50 0.40 -0.41 10.64 -0.81 -4.61 117.38 122.28 1ddx n GLN 208 Ca 0.10 0.45 -0.16 0.00 -1.83 0.00 0.00 57.00 55.56 1ddx n GLN 208 Cb 0.05 -1.63 -0.08 0.00 -0.86 0.00 0.00 30.24 27.72 1ddx n GLN 208 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.06 175.50 1ddx h PHE 209 N -1.00 -0.96 -3.03 2.61 -0.00 -1.76 -3.40 116.94 109.41 1ddx h PHE 209 Ca -0.11 -0.02 -0.54 0.00 -0.00 0.00 0.00 57.97 57.30 1ddx h PHE 209 Cb 0.83 0.32 0.01 0.00 -0.00 0.00 0.00 35.95 37.11 1ddx h PHE 209 CO -0.20 -0.59 0.71 -0.06 -0.00 0.00 0.00 178.31 178.16 1ddx s PHE 210 N -5.08 3.17 -0.03 6.09 0.08 -0.85 -4.54 117.98 116.81 1ddx s PHE 210 Ca -0.15 1.03 0.01 0.00 0.12 0.00 0.00 56.93 57.94 1ddx s PHE 210 Cb 0.02 -3.58 0.04 0.00 -0.57 0.00 0.00 43.02 38.93 1ddx s PHE 210 CO 0.45 -2.00 0.86 1.63 -0.10 0.00 0.00 175.22 176.07 1ddx n LYS 211 N 4.51 0.14 -0.45 0.44 5.02 -1.26 -4.49 118.16 122.07 1ddx n LYS 211 Ca 0.11 -0.81 -0.18 0.00 -2.02 0.00 0.00 58.31 55.41 1ddx n LYS 211 Cb 0.44 0.48 -0.02 0.00 -0.02 0.00 0.00 35.03 35.91 1ddx n LYS 211 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1ddx n THR 212 N -0.15 0.00 -3.15 -0.18 -1.04 -1.26 -3.32 114.28 105.18 1ddx n THR 212 Ca -0.21 0.00 -0.44 0.00 -2.04 0.00 0.00 64.05 61.35 1ddx n THR 212 Cb 0.63 -0.05 -0.05 0.00 -1.82 0.00 0.00 70.33 69.03 1ddx n THR 212 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1ddx s ASP 213 N 0.33 6.19 0.28 8.00 2.15 0.11 -4.81 116.67 128.93 1ddx s ASP 213 Ca 0.27 -1.27 0.06 0.00 0.43 0.00 0.00 52.55 52.04 1ddx s ASP 213 Cb -0.38 -2.29 0.42 0.00 -0.30 0.00 0.00 42.92 40.37 1ddx s ASP 213 CO 0.19 -1.01 1.68 0.45 -0.17 0.00 0.00 175.17 176.31 1ddx h HIS 214 N 9.09 0.31 -0.96 -5.34 3.86 -1.85 0.08 115.15 120.34 1ddx h HIS 214 Ca -0.29 -0.09 0.21 0.00 -1.16 0.00 0.00 60.37 59.04 1ddx h HIS 214 Cb 1.09 -0.07 -0.08 0.00 1.06 0.00 0.00 27.41 29.41 1ddx h HIS 214 CO 0.79 0.65 0.62 0.87 0.86 0.00 0.00 177.93 181.72 1ddx h LYS 215 N 0.22 0.51 0.00 2.45 1.79 -1.98 -2.46 116.57 117.10 1ddx h LYS 215 Ca 0.02 -0.03 -0.03 0.00 -2.18 0.00 0.00 60.65 58.43 1ddx h LYS 215 Cb 0.84 -0.11 -0.00 0.00 -1.58 0.00 0.00 32.23 31.38 1ddx h LYS 215 CO 0.07 0.33 -0.29 0.00 -1.08 0.00 0.00 179.45 178.48 1ddx h ARG 216 N 0.52 0.00 0.00 3.15 3.08 -1.86 -3.51 114.38 115.77 1ddx h ARG 216 Ca 0.52 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.57 1ddx h ARG 216 Cb 1.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.19 1ddx h ARG 216 CO -0.26 0.31 0.00 0.41 -1.07 0.00 0.00 179.97 179.36 1ddx n GLY 217 N 1.66 -0.60 0.20 0.04 0.00 -0.02 -4.98 105.19 101.49 1ddx n GLY 217 Ca -0.08 -1.23 -0.05 0.00 0.00 0.00 0.00 46.02 44.66 1ddx n GLY 217 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1ddx h PRO 218 N 0.00 0.36 0.00 1.61 0.11 -1.85 -3.18 132.00 129.04 1ddx h PRO 218 Ca 0.00 -0.20 0.00 0.00 0.11 0.00 0.00 66.00 65.91 1ddx h PRO 218 Cb 0.00 0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.12 1ddx h PRO 218 CO 0.00 0.77 0.00 0.78 -0.21 0.00 0.00 178.00 179.34 1ddx h GLY 219 N 1.23 0.00 -5.69 -0.55 0.00 -1.94 -3.46 103.07 92.67 1ddx h GLY 219 Ca 0.01 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.74 1ddx h GLY 219 CO 0.08 0.00 -0.33 -1.36 0.00 0.00 0.00 176.54 174.93 1ddx s PHE 220 N -3.26 3.54 0.24 5.60 0.40 -1.20 -1.01 117.98 122.29 1ddx s PHE 220 Ca 0.07 0.66 0.05 0.00 -0.60 0.00 0.00 56.93 57.11 1ddx s PHE 220 Cb 0.10 -2.26 -0.03 0.00 0.51 0.00 0.00 43.02 41.34 1ddx s PHE 220 CO 0.52 0.41 0.34 -0.08 0.70 0.00 0.00 175.22 177.11 1ddx s THR 221 N -0.10 5.15 -0.28 0.64 -1.32 0.23 0.06 115.64 120.02 1ddx s THR 221 Ca 0.17 -1.04 0.11 0.00 -1.21 0.00 0.00 61.69 59.72 1ddx s THR 221 Cb -0.13 -3.80 -0.14 0.00 -1.51 0.00 0.00 72.50 66.92 1ddx s THR 221 CO 0.06 -0.33 0.35 -1.14 -2.21 0.00 0.00 174.62 171.35 1ddx n ARG 222 N -1.37 2.11 -2.90 7.08 0.63 -1.21 -4.62 116.66 116.38 1ddx n ARG 222 Ca -0.09 -0.04 -0.44 0.00 -0.92 0.00 0.00 57.85 56.36 1ddx n ARG 222 Cb 0.57 -1.11 -0.02 0.00 0.45 0.00 0.00 32.46 32.35 1ddx n ARG 222 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 1ddx s GLY 223 N -2.55 1.97 0.42 5.14 0.00 -1.26 -4.78 107.32 106.26 1ddx s GLY 223 Ca 0.00 -2.86 0.29 0.00 0.00 0.00 0.00 44.72 42.16 1ddx s GLY 223 CO 0.44 2.08 1.88 1.41 0.00 0.00 0.00 173.10 178.91 1ddx h LEU 224 N 10.49 0.00 -2.32 0.66 3.38 -1.86 -1.21 115.31 124.45 1ddx h LEU 224 Ca 0.20 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.20 1ddx h LEU 224 Cb 0.99 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.74 1ddx h LEU 224 CO 1.17 0.00 0.22 1.23 0.09 0.00 0.00 178.44 181.14 1ddx h GLY 225 N 1.49 0.00 -6.79 0.83 0.00 -1.94 -3.45 103.07 93.22 1ddx h GLY 225 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.80 1ddx h GLY 225 CO 0.00 0.00 -0.83 1.42 0.00 0.00 0.00 176.54 177.13 1ddx n HIS 226 N -3.29 -1.08 -0.78 5.60 8.25 -0.46 -4.75 115.22 118.72 1ddx n HIS 226 Ca -0.00 0.52 0.00 0.00 -0.26 0.00 0.00 57.72 57.98 1ddx n HIS 226 Cb 0.30 -2.39 0.00 0.00 1.12 0.00 0.00 29.99 29.03 1ddx n HIS 226 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ddx n GLY 227 N -2.34 -2.37 3.55 -1.41 0.00 -1.26 -4.44 105.19 96.92 1ddx n GLY 227 Ca -0.28 -1.35 -0.29 0.00 0.00 0.00 0.00 46.02 44.10 1ddx n GLY 227 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ddx s VAL 228 N -2.14 3.15 -0.01 1.61 1.01 -1.26 -4.55 120.40 118.22 1ddx s VAL 228 Ca 0.00 -0.02 0.01 0.00 0.00 0.00 0.00 61.98 61.97 1ddx s VAL 228 Cb 0.00 -3.37 0.02 0.00 0.00 0.00 0.00 36.38 33.03 1ddx s VAL 228 CO 0.00 -0.35 0.73 -0.90 0.00 0.00 0.00 175.10 174.58 1ddx n ASP 229 N 15.73 0.58 -3.48 3.32 3.85 -1.26 -5.00 116.55 130.29 1ddx n ASP 229 Ca 0.37 -1.51 -0.23 0.00 -0.71 0.00 0.00 54.79 52.71 1ddx n ASP 229 Cb 0.50 -0.06 -0.02 0.00 -1.35 0.00 0.00 41.12 40.19 1ddx n ASP 229 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37 1ddx n LEU 230 N -0.20 -1.00 0.30 -2.12 4.77 -1.26 -4.77 117.00 112.72 1ddx n LEU 230 Ca 0.01 -0.41 0.19 0.00 -0.03 0.00 0.00 56.01 55.77 1ddx n LEU 230 Cb 0.49 -1.73 0.92 0.00 -2.33 0.00 0.00 43.42 40.77 1ddx n LEU 230 CO 0.00 0.10 1.07 -0.55 -1.33 0.00 0.00 177.39 176.69 1ddx h ASN 231 N -0.71 0.00 1.20 -1.43 7.08 -1.90 0.17 115.58 119.98 1ddx h ASN 231 Ca -0.38 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.84 1ddx h ASN 231 Cb 1.25 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.49 1ddx h ASN 231 CO 0.51 0.00 0.00 1.12 -2.08 0.00 0.00 177.43 176.98 1ddx h HIS 232 N 0.00 0.00 0.02 4.14 2.07 -1.84 1.10 115.15 120.64 1ddx h HIS 232 Ca 0.00 0.00 -0.36 0.00 -2.85 0.00 0.00 60.37 57.16 1ddx h HIS 232 Cb 0.25 0.00 -0.06 0.00 2.57 0.00 0.00 27.41 30.17 1ddx h HIS 232 CO 0.00 0.00 -2.22 -0.89 -3.07 0.00 0.00 177.93 171.75 1ddx n ILE 233 N -2.79 1.54 -0.10 6.12 5.41 -0.01 0.63 119.36 130.15 1ddx n ILE 233 Ca 0.02 -0.72 0.03 0.00 1.00 0.00 0.00 62.75 63.09 1ddx n ILE 233 Cb 0.35 -1.11 0.09 0.00 -0.71 0.00 0.00 39.64 38.26 1ddx n ILE 233 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 1ddx n TYR 234 N -3.10 0.27 -0.06 1.39 4.01 -0.83 -2.75 117.16 116.09 1ddx n TYR 234 Ca -0.34 -0.49 0.01 0.00 -0.16 0.00 0.00 57.90 56.91 1ddx n TYR 234 Cb 1.07 -0.04 -0.00 0.00 -0.31 0.00 0.00 39.34 40.06 1ddx n TYR 234 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ddx n GLY 235 N 0.11 -2.39 0.11 2.72 0.00 0.38 -3.04 105.19 103.08 1ddx n GLY 235 Ca 0.07 -1.45 -0.21 0.00 0.00 0.00 0.00 46.02 44.43 1ddx n GLY 235 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1ddx h GLU 236 N -0.06 0.11 -6.71 1.61 4.39 -1.82 -3.42 114.58 108.69 1ddx h GLU 236 Ca -0.01 -0.18 -0.50 0.00 0.34 0.00 0.00 59.36 59.01 1ddx h GLU 236 Cb 0.06 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.75 1ddx h GLU 236 CO 0.00 1.09 0.08 0.95 -1.16 0.00 0.00 179.01 179.97 1ddx s THR 237 N -2.40 4.71 0.17 1.13 -4.23 -1.26 -4.97 115.64 108.80 1ddx s THR 237 Ca -0.24 0.87 -0.14 0.00 -1.18 0.00 0.00 61.69 61.00 1ddx s THR 237 Cb 0.04 -3.62 0.06 0.00 1.34 0.00 0.00 72.50 70.32 1ddx s THR 237 CO 0.68 -0.20 1.81 -0.07 -0.54 0.00 0.00 174.62 176.30 1ddx h LEU 238 N 2.21 0.47 -0.65 4.79 3.38 -1.92 -0.98 115.31 122.62 1ddx h LEU 238 Ca -0.48 0.00 0.11 0.00 0.09 0.00 0.00 57.88 57.61 1ddx h LEU 238 Cb 1.17 -0.10 -0.12 0.00 0.09 0.00 0.00 40.66 41.71 1ddx h LEU 238 CO 0.66 0.34 -0.34 -0.78 0.09 0.00 0.00 178.44 178.40 1ddx h ASP 239 N 0.58 -1.20 0.58 -0.43 -0.00 -1.97 0.48 116.42 114.46 1ddx h ASP 239 Ca 0.19 0.24 -0.02 0.00 -0.00 0.00 0.00 57.03 57.44 1ddx h ASP 239 Cb 0.01 0.60 -0.01 0.00 -0.00 0.00 0.00 39.33 39.94 1ddx h ASP 239 CO -0.09 -0.30 -0.39 -0.09 -0.00 0.00 0.00 179.24 178.37 1ddx h ARG 240 N -0.14 -0.89 -0.98 0.28 2.43 -1.77 -2.70 114.38 110.61 1ddx h ARG 240 Ca 0.25 0.06 0.27 0.00 -0.81 0.00 0.00 59.98 59.75 1ddx h ARG 240 Cb 0.56 0.20 -0.18 0.00 -0.42 0.00 0.00 29.97 30.13 1ddx h ARG 240 CO -0.73 -0.59 0.06 -0.56 -1.51 0.00 0.00 179.97 176.64 1ddx h GLN 241 N -0.92 0.02 -0.25 0.20 3.07 0.13 0.54 115.11 117.90 1ddx h GLN 241 Ca -0.08 -0.00 -0.06 0.00 0.09 0.00 0.00 58.65 58.60 1ddx h GLN 241 Cb 0.75 -0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.29 1ddx h GLN 241 CO 0.06 0.01 -0.11 0.45 0.09 0.00 0.00 178.83 179.33 1ddx h HIS 242 N 0.02 0.43 0.00 0.06 3.86 0.10 -1.19 115.15 118.43 1ddx h HIS 242 Ca 0.60 -0.06 -0.12 0.00 -1.16 0.00 0.00 60.37 59.64 1ddx h HIS 242 Cb 1.26 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 29.59 1ddx h HIS 242 CO -0.47 0.52 -0.58 0.87 0.86 0.00 0.00 177.93 179.13 1ddx h LYS 243 N 0.38 0.00 -0.00 2.45 1.57 0.36 -2.24 116.57 119.10 1ddx h LYS 243 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1ddx h LYS 243 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.75 1ddx h LYS 243 CO 0.02 0.58 -0.05 1.28 -0.57 0.00 0.00 179.45 180.71 1ddx n LEU 244 N -3.78 0.47 -4.90 2.94 4.77 -0.67 -4.82 117.00 111.01 1ddx n LEU 244 Ca -0.01 -0.06 -0.34 0.00 -0.03 0.00 0.00 56.01 55.57 1ddx n LEU 244 Cb 0.59 -0.10 -0.05 0.00 -2.33 0.00 0.00 43.42 41.53 1ddx n LEU 244 CO 0.41 0.08 -0.11 -0.13 -1.33 0.00 0.00 177.39 176.32 1ddx s ARG 245 N -2.26 3.51 0.03 3.23 0.52 -0.54 -0.74 118.95 122.70 1ddx s ARG 245 Ca 0.36 -0.22 0.21 0.00 -0.52 0.00 0.00 55.73 55.57 1ddx s ARG 245 Cb 0.21 -3.07 -0.22 0.00 0.52 0.00 0.00 34.95 32.39 1ddx s ARG 245 CO 0.42 0.65 0.63 -0.11 0.02 0.00 0.00 175.30 176.90 1ddx n LEU 246 N 0.91 0.30 -3.27 2.53 7.94 0.89 -4.39 117.00 121.90 1ddx n LEU 246 Ca -0.10 0.12 -0.15 0.00 -1.11 0.00 0.00 56.01 54.77 1ddx n LEU 246 Cb 0.52 0.03 0.07 0.00 0.53 0.00 0.00 43.42 44.58 1ddx n LEU 246 CO 0.44 0.00 0.04 0.49 -1.11 0.00 0.00 177.39 177.25 1ddx n PHE 247 N -2.46 -2.42 -3.46 1.96 0.99 -1.24 -4.98 117.46 105.84 1ddx n PHE 247 Ca -0.06 0.87 0.01 0.00 -0.00 0.00 0.00 57.45 58.27 1ddx n PHE 247 Cb 0.63 -4.27 -0.04 0.00 -1.00 0.00 0.00 39.48 34.80 1ddx n PHE 247 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.76 176.91 1ddx s LYS 248 N -4.53 0.34 -1.47 -1.08 1.02 -1.26 -4.89 119.74 107.88 1ddx s LYS 248 Ca 0.39 0.83 0.00 0.00 0.02 0.00 0.00 55.97 57.21 1ddx s LYS 248 Cb -0.05 0.46 0.00 0.00 -0.52 0.00 0.00 37.83 37.72 1ddx s LYS 248 CO 0.74 -0.11 0.00 -0.25 -0.92 0.00 0.00 175.35 174.80 1ddx n ASP 249 N 4.90 -4.25 -2.11 2.83 8.00 -1.26 -1.06 116.55 123.60 1ddx n ASP 249 Ca -0.11 0.26 -0.17 0.00 0.71 0.00 0.00 54.79 55.49 1ddx n ASP 249 Cb 0.53 -3.74 -0.03 0.00 -0.02 0.00 0.00 41.12 37.86 1ddx n ASP 249 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ddx n GLY 250 N -0.55 0.19 3.86 0.44 0.00 -1.18 -4.50 105.19 103.46 1ddx n GLY 250 Ca -0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.53 1ddx n GLY 250 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ddx s LYS 251 N -4.50 3.92 0.13 1.61 1.02 -0.22 -3.58 119.74 118.11 1ddx s LYS 251 Ca 0.00 0.49 -0.28 0.00 0.02 0.00 0.00 55.97 56.20 1ddx s LYS 251 Cb 0.00 -2.55 -0.07 0.00 -0.52 0.00 0.00 37.83 34.69 1ddx s LYS 251 CO 0.00 0.24 0.88 -0.51 -0.92 0.00 0.00 175.35 175.05 1ddx s LEU 252 N -2.85 4.54 0.25 3.17 1.43 -1.26 -0.08 118.68 123.87 1ddx s LEU 252 Ca 0.50 1.72 -0.31 0.00 -1.03 0.00 0.00 54.13 55.02 1ddx s LEU 252 Cb -0.11 -3.46 -0.13 0.00 0.03 0.00 0.00 46.19 42.51 1ddx s LEU 252 CO 0.19 0.05 1.37 0.29 0.23 0.00 0.00 176.35 178.48 1ddx n LYS 253 N 2.32 1.97 -0.95 1.70 5.02 0.08 -4.64 118.16 123.66 1ddx n LYS 253 Ca -0.01 0.70 0.00 0.00 -2.02 0.00 0.00 58.31 56.98 1ddx n LYS 253 Cb 0.49 -2.33 0.00 0.00 -0.02 0.00 0.00 35.03 33.17 1ddx n LYS 253 CO 0.00 0.00 0.00 2.48 -0.52 0.00 0.00 177.40 179.36 1ddx n TYR 254 N 1.70 0.00 -3.60 2.13 0.18 -1.26 -4.24 117.16 112.06 1ddx n TYR 254 Ca 0.11 0.00 -0.13 0.00 1.88 0.00 0.00 57.90 59.76 1ddx n TYR 254 Cb 0.31 0.00 -0.07 0.00 -0.38 0.00 0.00 39.34 39.21 1ddx n TYR 254 CO 0.00 0.00 0.00 1.14 -2.08 0.00 0.00 176.86 175.92 1ddx s GLN 255 N -0.43 0.77 -0.28 -3.48 -2.07 0.19 -4.50 119.66 109.86 1ddx s GLN 255 Ca 0.00 0.66 -0.07 0.00 -1.82 0.00 0.00 55.36 54.13 1ddx s GLN 255 Cb 0.00 0.37 -0.00 0.00 -1.09 0.00 0.00 33.01 32.29 1ddx s GLN 255 CO 0.00 -0.15 0.08 0.08 -1.32 0.00 0.00 175.29 173.98 1ddx s VAL 256 N -0.14 4.07 -0.13 3.63 1.01 -1.26 0.29 120.40 127.88 1ddx s VAL 256 Ca -0.02 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 61.43 1ddx s VAL 256 Cb -0.04 -3.04 -0.00 0.00 0.00 0.00 0.00 36.38 33.30 1ddx s VAL 256 CO 0.01 0.15 -0.19 -0.63 0.00 0.00 0.00 175.10 174.44 1ddx s ILE 257 N 1.53 2.42 -1.52 2.22 1.01 0.11 -4.66 121.20 122.30 1ddx s ILE 257 Ca 0.04 -0.87 -0.09 0.00 0.00 0.00 0.00 60.65 59.72 1ddx s ILE 257 Cb -0.17 -1.98 0.07 0.00 0.01 0.00 0.00 42.46 40.39 1ddx s ILE 257 CO 0.03 0.54 0.70 0.61 0.00 0.00 0.00 174.94 176.82 1ddx n GLY 258 N 3.81 -0.37 2.42 6.18 0.00 -1.26 -0.05 105.19 115.93 1ddx n GLY 258 Ca -0.19 0.15 -0.04 0.00 0.00 0.00 0.00 46.02 45.94 1ddx n GLY 258 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ddx n GLY 259 N -1.68 0.65 3.37 -0.02 0.00 -1.26 -5.00 105.19 101.24 1ddx n GLY 259 Ca -0.10 -0.23 -0.28 0.00 0.00 0.00 0.00 46.02 45.41 1ddx n GLY 259 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ddx s GLU 260 N -1.80 1.36 -0.22 1.61 0.41 0.92 -5.10 118.70 115.88 1ddx s GLU 260 Ca 0.00 -1.33 -0.25 0.00 -0.41 0.00 0.00 54.97 52.98 1ddx s GLU 260 Cb 0.00 -1.81 -0.01 0.00 -1.78 0.00 0.00 34.13 30.53 1ddx s GLU 260 CO 0.00 0.43 0.85 0.08 -0.49 0.00 0.00 175.26 176.13 1ddx s VAL 261 N -1.11 4.83 0.07 2.63 1.01 -1.26 -0.72 120.40 125.86 1ddx s VAL 261 Ca 0.13 1.63 0.01 0.00 0.00 0.00 0.00 61.98 63.76 1ddx s VAL 261 Cb -0.10 -4.14 -0.04 0.00 0.00 0.00 0.00 36.38 32.10 1ddx s VAL 261 CO 0.06 -0.06 -0.06 -0.31 0.00 0.00 0.00 175.10 174.73 1ddx s TYR 262 N 2.68 0.75 1.02 5.22 1.51 0.15 -4.96 117.35 123.71 1ddx s TYR 262 Ca 0.37 -0.79 -0.14 0.00 -1.01 0.00 0.00 57.07 55.49 1ddx s TYR 262 Cb -0.16 -0.45 0.08 0.00 -0.11 0.00 0.00 41.96 41.32 1ddx s TYR 262 CO 0.09 -0.16 0.36 -2.30 -1.11 0.00 0.00 175.55 172.43 1ddx n PRO 263 N 0.50 -0.84 -2.81 -1.71 -0.02 -1.26 -0.64 135.00 128.21 1ddx n PRO 263 Ca -0.16 -0.21 -0.21 0.00 -2.02 0.00 0.00 63.50 60.90 1ddx n PRO 263 Cb 0.59 -1.86 0.03 0.00 -0.02 0.00 0.00 33.50 32.23 1ddx n PRO 263 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1ddx s PRO 264 N -3.69 2.74 0.58 0.52 0.04 -1.26 -4.27 135.00 129.67 1ddx s PRO 264 Ca 0.58 -0.76 -0.16 0.00 0.04 0.00 0.00 61.00 60.70 1ddx s PRO 264 Cb -0.19 -2.55 -0.04 0.00 0.04 0.00 0.00 34.50 31.76 1ddx s PRO 264 CO 0.66 -0.51 1.04 0.95 0.04 0.00 0.00 177.00 179.18 1ddx s THR 265 N -2.63 4.01 0.26 1.26 -4.23 -1.26 0.30 115.64 113.35 1ddx s THR 265 Ca 0.54 0.93 0.15 0.00 -1.18 0.00 0.00 61.69 62.13 1ddx s THR 265 Cb -0.10 -3.47 0.07 0.00 1.34 0.00 0.00 72.50 70.33 1ddx s THR 265 CO 0.37 -0.58 1.72 0.58 -0.54 0.00 0.00 174.62 176.17 1ddx h VAL 266 N 0.48 1.17 0.00 2.29 2.07 -1.45 -2.58 116.25 118.24 1ddx h VAL 266 Ca -0.47 -1.67 0.00 0.00 0.82 0.00 0.00 66.70 65.38 1ddx h VAL 266 Cb 1.21 1.94 0.00 0.00 -1.52 0.00 0.00 31.29 32.92 1ddx h VAL 266 CO 0.58 0.45 0.00 1.17 0.02 0.00 0.00 177.57 179.80 1ddx n LYS 267 N -3.76 0.13 -0.00 1.57 4.81 -1.26 -0.01 118.16 119.64 1ddx n LYS 267 Ca -0.01 0.09 0.04 0.00 -0.87 0.00 0.00 58.31 57.56 1ddx n LYS 267 Cb 0.52 -1.50 -0.05 0.00 0.02 0.00 0.00 35.03 34.02 1ddx n LYS 267 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1ddx n ASP 268 N -1.42 1.71 0.00 3.14 8.00 -1.00 -4.63 116.55 122.35 1ddx n ASP 268 Ca 0.08 -0.36 0.00 0.00 0.71 0.00 0.00 54.79 55.22 1ddx n ASP 268 Cb 0.24 1.16 0.00 0.00 -0.02 0.00 0.00 41.12 42.49 1ddx n ASP 268 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1ddx n THR 269 N -1.44 0.00 -0.87 -3.53 -2.24 -1.02 -4.98 114.28 100.20 1ddx n THR 269 Ca 0.00 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 1ddx n THR 269 Cb 0.15 1.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.38 1ddx n THR 269 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ddx n GLN 270 N -0.94 -1.77 -1.61 -0.78 3.00 0.98 -4.86 117.38 111.40 1ddx n GLN 270 Ca 0.00 0.41 -0.37 0.00 -0.01 0.00 0.00 57.00 57.03 1ddx n GLN 270 Cb 0.00 -4.74 0.07 0.00 0.00 0.00 0.00 30.24 25.57 1ddx n GLN 270 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 1ddx n VAL 271 N -1.83 4.15 -2.70 5.09 0.31 -1.25 -4.91 118.33 117.18 1ddx n VAL 271 Ca 0.00 -0.46 -0.43 0.00 -0.01 0.00 0.00 64.34 63.44 1ddx n VAL 271 Cb 0.41 -1.32 -0.03 0.00 -0.91 0.00 0.00 33.84 32.00 1ddx n VAL 271 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1ddx s GLU 272 N -3.24 3.95 -0.04 5.55 0.41 -1.26 -4.86 118.70 119.21 1ddx s GLU 272 Ca 0.79 0.84 0.03 0.00 -0.41 0.00 0.00 54.97 56.21 1ddx s GLU 272 Cb -0.38 -3.78 0.01 0.00 -1.78 0.00 0.00 34.13 28.20 1ddx s GLU 272 CO 0.44 -0.96 -0.11 -1.64 -0.49 0.00 0.00 175.26 172.50 1ddx s MET 273 N 3.66 1.26 -0.57 1.61 -1.94 -1.26 -4.36 119.30 117.71 1ddx s MET 273 Ca 0.43 -0.37 -0.26 0.00 -1.71 0.00 0.00 55.69 53.77 1ddx s MET 273 Cb -0.12 -1.13 0.04 0.00 2.01 0.00 0.00 34.83 35.63 1ddx s MET 273 CO 0.18 0.11 1.07 0.42 -0.01 0.00 0.00 175.02 176.79 1ddx s ILE 274 N 0.31 4.19 0.06 2.53 1.01 0.17 -5.01 121.20 124.47 1ddx s ILE 274 Ca -0.06 0.61 0.02 0.00 0.00 0.00 0.00 60.65 61.22 1ddx s ILE 274 Cb -0.11 -4.64 -0.03 0.00 0.01 0.00 0.00 42.46 37.69 1ddx s ILE 274 CO 0.01 -1.23 -0.07 -0.31 0.00 0.00 0.00 174.94 173.34 1ddx s TYR 275 N 4.48 0.74 0.06 3.97 2.02 -1.26 -4.56 117.35 122.80 1ddx s TYR 275 Ca 0.37 -0.67 -0.23 0.00 -0.37 0.00 0.00 57.07 56.16 1ddx s TYR 275 Cb -0.10 -0.44 -0.06 0.00 -0.40 0.00 0.00 41.96 40.96 1ddx s TYR 275 CO 0.22 -0.12 0.71 -1.25 -1.57 0.00 0.00 175.55 173.54 1ddx s PRO 276 N -2.48 4.44 0.08 -1.71 0.04 -1.26 -4.98 135.00 129.12 1ddx s PRO 276 Ca -0.02 0.98 0.00 0.00 0.04 0.00 0.00 61.00 62.00 1ddx s PRO 276 Cb -0.04 -3.32 0.18 0.00 0.04 0.00 0.00 34.50 31.36 1ddx s PRO 276 CO -0.02 0.41 0.40 -2.30 0.04 0.00 0.00 177.00 175.53 1ddx n PRO 277 N 2.40 -0.02 -0.19 0.56 -0.02 -1.26 -1.66 135.00 134.81 1ddx n PRO 277 Ca -0.05 0.39 -0.08 0.00 -2.02 0.00 0.00 63.50 61.74 1ddx n PRO 277 Cb 0.50 -0.61 0.07 0.00 -0.02 0.00 0.00 33.50 33.43 1ddx n PRO 277 CO 0.00 0.00 0.00 1.12 1.98 0.00 0.00 175.50 178.60 1ddx h HIS 278 N 0.00 1.09 -0.91 6.00 2.07 -2.03 -3.46 115.15 117.91 1ddx h HIS 278 Ca 0.15 -0.17 -0.73 0.00 -2.85 0.00 0.00 60.37 56.77 1ddx h HIS 278 Cb 0.30 -0.29 0.04 0.00 2.57 0.00 0.00 27.41 30.03 1ddx h HIS 278 CO -0.14 0.96 0.14 -0.89 -3.07 0.00 0.00 177.93 174.93 1ddx n ILE 279 N -4.19 0.00 -2.76 6.12 2.08 -0.66 -4.90 119.36 115.05 1ddx n ILE 279 Ca 0.03 0.00 -0.37 0.00 0.56 0.00 0.00 62.75 62.97 1ddx n ILE 279 Cb 0.33 -0.07 -0.06 0.00 -0.75 0.00 0.00 39.64 39.09 1ddx n ILE 279 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 1ddx s PRO 280 N 0.40 4.55 0.28 0.38 0.04 -1.26 -4.86 135.00 134.53 1ddx s PRO 280 Ca 0.85 1.35 0.02 0.00 0.04 0.00 0.00 61.00 63.25 1ddx s PRO 280 Cb -1.19 -2.77 0.65 0.00 0.04 0.00 0.00 34.50 31.23 1ddx s PRO 280 CO 0.55 0.24 1.73 0.93 0.04 0.00 0.00 177.00 180.49 1ddx h GLU 281 N 3.11 0.51 0.00 4.56 5.08 -1.94 0.77 114.58 126.66 1ddx h GLU 281 Ca -0.47 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 1ddx h GLU 281 Cb 1.19 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.33 1ddx h GLU 281 CO 0.65 0.34 0.02 0.27 -1.00 0.00 0.00 179.01 179.28 1ddx n ASN 282 N -4.95 0.03 -0.00 1.42 6.94 -1.26 -1.16 115.26 116.27 1ddx n ASN 282 Ca 0.20 0.50 0.03 0.00 -0.02 0.00 0.00 54.58 55.29 1ddx n ASN 282 Cb 0.56 -0.50 -0.05 0.00 -2.36 0.00 0.00 39.78 37.43 1ddx n ASN 282 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1ddx n LEU 283 N -1.52 0.02 -4.55 -4.53 4.77 0.25 -4.93 117.00 106.51 1ddx n LEU 283 Ca -0.00 -0.04 -0.30 0.00 -0.03 0.00 0.00 56.01 55.64 1ddx n LEU 283 Cb 0.02 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.07 1ddx n LEU 283 CO 0.00 0.00 1.60 -1.10 -1.33 0.00 0.00 177.39 176.57 1ddx s GLN 284 N -2.36 2.22 0.30 3.23 -0.21 -0.30 -4.94 119.66 117.61 1ddx s GLN 284 Ca -0.02 0.65 -0.24 0.00 0.02 0.00 0.00 55.36 55.76 1ddx s GLN 284 Cb 0.04 -4.67 -0.09 0.00 1.00 0.00 0.00 33.01 29.29 1ddx s GLN 284 CO 0.25 -3.41 0.88 -0.06 -2.12 0.00 0.00 175.29 170.84 1ddx s PHE 285 N 11.49 3.67 -0.17 0.91 2.99 -1.26 -1.25 117.98 134.36 1ddx s PHE 285 Ca 0.82 1.67 -0.01 0.00 0.00 0.00 0.00 56.93 59.42 1ddx s PHE 285 Cb -0.13 -2.84 -0.01 0.00 0.00 0.00 0.00 43.02 40.05 1ddx s PHE 285 CO 0.15 0.24 -0.11 0.00 -0.00 0.00 0.00 175.22 175.50 1ddx s ALA 286 N -1.60 2.62 0.21 5.36 0.00 0.15 -4.69 121.76 123.80 1ddx s ALA 286 Ca 0.48 -1.05 -0.12 0.00 0.00 0.00 0.00 51.96 51.27 1ddx s ALA 286 Cb -0.18 -1.37 -0.00 0.00 0.00 0.00 0.00 23.12 21.57 1ddx s ALA 286 CO 0.23 -0.11 0.40 0.14 0.00 0.00 0.00 175.76 176.42 1ddx s VAL 287 N 0.94 0.03 0.27 0.00 -7.23 -1.26 -4.03 120.40 109.11 1ddx s VAL 287 Ca -0.02 -1.33 -0.02 0.00 -1.81 0.00 0.00 61.98 58.79 1ddx s VAL 287 Cb -0.15 -2.00 0.40 0.00 0.56 0.00 0.00 36.38 35.19 1ddx s VAL 287 CO -0.01 -0.12 1.42 0.61 -0.31 0.00 0.00 175.10 176.69 1ddx n GLY 288 N -0.31 -1.37 3.67 2.32 0.00 -0.51 -4.12 105.19 104.86 1ddx n GLY 288 Ca -0.05 0.93 -0.37 0.00 0.00 0.00 0.00 46.02 46.53 1ddx n GLY 288 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ddx s GLN 289 N -6.01 4.12 0.46 1.61 -1.52 0.20 -3.55 119.66 114.99 1ddx s GLN 289 Ca -0.13 -0.05 0.22 0.00 -1.95 0.00 0.00 55.36 53.45 1ddx s GLN 289 Cb 0.26 -3.54 1.14 0.00 -0.22 0.00 0.00 33.01 30.65 1ddx s GLN 289 CO 0.71 0.02 1.97 1.05 -0.25 0.00 0.00 175.29 178.78 1ddx h GLU 290 N 7.44 0.00 0.11 2.91 4.11 -1.76 -3.16 114.58 124.23 1ddx h GLU 290 Ca -0.37 0.00 -0.29 0.00 0.07 0.00 0.00 59.36 58.77 1ddx h GLU 290 Cb 1.17 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 1ddx h GLU 290 CO 0.69 0.21 -1.41 -0.24 0.07 0.00 0.00 179.01 178.33 1ddx h VAL 291 N 0.00 1.30 0.00 -1.06 3.04 -1.90 0.48 116.25 118.11 1ddx h VAL 291 Ca -0.00 -2.92 0.00 0.00 -1.01 0.00 0.00 66.70 62.76 1ddx h VAL 291 Cb 0.47 2.82 0.00 0.00 -2.01 0.00 0.00 31.29 32.57 1ddx h VAL 291 CO 0.03 0.84 0.39 0.49 -1.01 0.00 0.00 177.57 178.30 1ddx n PHE 292 N -3.46 0.00 0.14 3.17 3.01 -1.19 -1.67 117.46 117.46 1ddx n PHE 292 Ca -0.13 0.00 0.02 0.00 1.01 0.00 0.00 57.45 58.36 1ddx n PHE 292 Cb 1.03 -0.04 0.08 0.00 -0.01 0.00 0.00 39.48 40.53 1ddx n PHE 292 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 1ddx h GLY 293 N 0.00 0.00 0.44 1.37 0.00 -1.81 -3.12 103.07 99.94 1ddx h GLY 293 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ddx h GLY 293 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.58 1ddx n LEU 294 N -3.29 0.00 -3.43 3.11 4.77 -0.67 -4.46 117.00 113.02 1ddx n LEU 294 Ca 0.01 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.77 1ddx n LEU 294 Cb 0.71 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.69 1ddx n LEU 294 CO 0.40 0.00 -0.23 -0.69 -1.33 0.00 0.00 177.39 175.54 1ddx s VAL 295 N -2.00 -0.20 0.65 4.08 1.01 -1.24 -1.51 120.40 121.19 1ddx s VAL 295 Ca 0.15 -0.95 0.17 0.00 0.00 0.00 0.00 61.98 61.35 1ddx s VAL 295 Cb 0.07 -0.93 0.18 0.00 0.00 0.00 0.00 36.38 35.71 1ddx s VAL 295 CO 0.12 -0.67 1.48 -0.65 0.00 0.00 0.00 175.10 175.38 1ddx h PRO 296 N 7.68 0.00 0.02 2.72 0.11 -1.81 1.12 132.00 141.85 1ddx h PRO 296 Ca -0.05 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.06 1ddx h PRO 296 Cb 1.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1ddx h PRO 296 CO 0.30 0.00 -0.01 0.78 -0.21 0.00 0.00 178.00 178.86 1ddx h GLY 297 N 0.00 -0.03 0.28 -0.55 0.00 -1.93 -2.27 103.07 98.56 1ddx h GLY 297 Ca 0.05 0.01 -0.01 0.00 0.00 0.00 0.00 47.33 47.38 1ddx h GLY 297 CO -0.00 -0.01 -0.16 1.41 0.00 0.00 0.00 176.54 177.78 1ddx h LEU 298 N -0.53 -0.39 -0.82 3.11 4.07 0.95 -2.93 115.31 118.78 1ddx h LEU 298 Ca -0.00 0.02 0.25 0.00 0.08 0.00 0.00 57.88 58.23 1ddx h LEU 298 Cb 0.50 0.11 -0.15 0.00 1.08 0.00 0.00 40.66 42.19 1ddx h LEU 298 CO 0.01 -0.25 0.12 0.80 -1.08 0.00 0.00 178.44 178.04 1ddx n MET 299 N -3.19 -0.06 0.11 1.13 1.56 -0.37 0.34 117.12 116.64 1ddx n MET 299 Ca -0.05 1.21 -0.13 0.00 -0.27 0.00 0.00 57.70 58.45 1ddx n MET 299 Cb 0.16 -1.97 -0.06 0.00 2.15 0.00 0.00 33.22 33.50 1ddx n MET 299 CO 0.00 0.00 0.00 1.98 -0.73 0.00 0.00 175.97 177.22 1ddx h MET 300 N 0.00 -0.54 -0.34 2.12 1.85 -1.23 -0.57 114.93 116.22 1ddx h MET 300 Ca 0.55 0.04 0.05 0.00 -0.61 0.00 0.00 59.70 59.72 1ddx h MET 300 Cb 1.22 0.12 -0.04 0.00 0.43 0.00 0.00 31.60 33.33 1ddx h MET 300 CO -0.74 -0.36 0.07 1.88 -0.40 0.00 0.00 176.91 177.36 1ddx h TYR 301 N -0.56 0.12 0.00 1.39 0.05 0.05 -1.17 116.97 116.85 1ddx h TYR 301 Ca 0.03 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.83 1ddx h TYR 301 Cb 0.59 -0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.33 1ddx h TYR 301 CO -0.30 0.02 0.00 0.00 -1.05 0.00 0.00 178.16 176.83 1ddx n ALA 302 N -2.39 -0.03 -0.14 3.88 0.00 -0.57 -0.34 120.51 120.91 1ddx n ALA 302 Ca 0.01 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.54 1ddx n ALA 302 Cb 0.15 0.21 0.17 0.00 0.00 0.00 0.00 19.45 19.98 1ddx n ALA 302 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1ddx n THR 303 N -1.26 -0.18 0.00 0.00 -1.04 -0.27 0.77 114.28 112.30 1ddx n THR 303 Ca 0.00 0.92 0.00 0.00 -2.04 0.00 0.00 64.05 62.93 1ddx n THR 303 Cb 0.00 -1.40 0.00 0.00 -1.82 0.00 0.00 70.33 67.11 1ddx n THR 303 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 1ddx n ILE 304 N -4.27 0.00 -0.27 12.58 5.41 0.54 -1.12 119.36 132.23 1ddx n ILE 304 Ca 0.12 1.43 0.00 0.00 1.00 0.00 0.00 62.75 65.31 1ddx n ILE 304 Cb 0.42 -2.43 0.07 0.00 -0.71 0.00 0.00 39.64 36.98 1ddx n ILE 304 CO 0.00 0.00 0.00 -0.50 0.00 0.00 0.00 176.55 176.05 1ddx h TRP 305 N 0.00 -0.61 -0.49 1.39 -0.00 0.26 0.66 115.95 117.16 1ddx h TRP 305 Ca 0.00 0.07 0.10 0.00 -0.00 0.00 0.00 58.89 59.06 1ddx h TRP 305 Cb 0.00 0.38 -0.10 0.00 -0.00 0.00 0.00 29.16 29.45 1ddx h TRP 305 CO 0.20 -0.36 -0.20 1.25 -0.00 0.00 0.00 178.44 179.33 1ddx h LEU 306 N -0.04 -0.70 -1.11 -4.49 6.46 -0.59 0.72 115.31 115.56 1ddx h LEU 306 Ca 0.34 0.17 0.07 0.00 -0.12 0.00 0.00 57.88 58.35 1ddx h LEU 306 Cb 0.57 0.40 -0.06 0.00 -0.73 0.00 0.00 40.66 40.84 1ddx h LEU 306 CO -0.80 -0.23 0.61 0.03 -0.62 0.00 0.00 178.44 177.42 1ddx h ARG 307 N -0.09 1.02 0.34 1.25 3.08 0.17 -2.44 114.38 117.71 1ddx h ARG 307 Ca 0.23 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.21 1ddx h ARG 307 Cb 0.45 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 1ddx h ARG 307 CO -0.55 0.67 -0.23 1.49 -1.07 0.00 0.00 179.97 180.28 1ddx h GLU 308 N 1.05 -0.54 0.00 0.04 4.57 0.36 -0.64 114.58 119.42 1ddx h GLU 308 Ca 0.41 0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.63 1ddx h GLU 308 Cb 0.24 0.12 0.00 0.00 -0.16 0.00 0.00 28.75 28.95 1ddx h GLU 308 CO -0.17 -0.36 0.00 1.58 -1.18 0.00 0.00 179.01 178.88 1ddx n HIS 309 N -5.36 0.00 -0.32 0.92 -0.00 0.73 -0.39 115.22 110.81 1ddx n HIS 309 Ca -0.10 0.00 0.33 0.00 0.46 0.00 0.00 57.72 58.41 1ddx n HIS 309 Cb 0.27 -0.32 0.71 0.00 -0.12 0.00 0.00 29.99 30.52 1ddx n HIS 309 CO 0.00 0.00 0.00 -0.91 0.46 0.00 0.00 176.34 175.89 1ddx h ASN 310 N 0.00 0.07 0.05 0.26 4.21 -1.54 0.87 115.58 119.50 1ddx h ASN 310 Ca 0.00 0.02 -0.00 0.00 1.21 0.00 0.00 56.30 57.52 1ddx h ASN 310 Cb 0.00 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.20 1ddx h ASN 310 CO 0.00 0.01 -0.02 -0.09 -1.29 0.00 0.00 177.43 176.04 1ddx h ARG 311 N 0.06 -0.07 -0.39 0.81 2.43 0.61 -2.35 114.38 115.49 1ddx h ARG 311 Ca 0.56 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.76 1ddx h ARG 311 Cb 2.12 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 31.66 1ddx h ARG 311 CO -0.06 0.04 0.20 0.28 -1.51 0.00 0.00 179.97 178.93 1ddx h VAL 312 N -0.16 1.00 -0.72 0.20 2.07 0.35 -2.35 116.25 116.64 1ddx h VAL 312 Ca -0.01 -0.14 0.15 0.00 0.82 0.00 0.00 66.70 67.52 1ddx h VAL 312 Cb 0.13 0.54 -0.14 0.00 -1.52 0.00 0.00 31.29 30.31 1ddx h VAL 312 CO 0.01 0.08 -0.16 0.00 0.02 0.00 0.00 177.57 177.51 1ddx h ASP 314 N 0.01 0.11 -0.95 0.00 3.45 -0.90 0.20 116.42 118.33 1ddx h ASP 314 Ca 0.35 0.03 0.08 0.00 0.43 0.00 0.00 57.03 57.93 1ddx h ASP 314 Cb 0.54 0.02 -0.07 0.00 -0.56 0.00 0.00 39.33 39.26 1ddx h ASP 314 CO -0.74 0.10 0.60 0.40 -1.57 0.00 0.00 179.24 178.04 1ddx h ILE 315 N 0.24 1.01 0.51 0.35 2.04 -0.66 -1.29 117.51 119.71 1ddx h ILE 315 Ca 0.14 -0.36 -0.03 0.00 1.00 0.00 0.00 64.86 65.61 1ddx h ILE 315 Cb 0.11 -0.12 0.01 0.00 -0.74 0.00 0.00 36.82 36.07 1ddx h ILE 315 CO -0.14 0.19 -0.25 -0.07 0.00 0.00 0.00 178.15 177.88 1ddx h LEU 316 N 1.04 -0.58 -1.06 1.44 3.38 -0.05 -2.36 115.31 117.12 1ddx h LEU 316 Ca 0.43 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.35 1ddx h LEU 316 Cb 0.28 0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1ddx h LEU 316 CO -0.21 -0.20 0.54 0.50 0.09 0.00 0.00 178.44 179.17 1ddx h LYS 317 N -1.06 0.00 0.00 1.13 3.64 -0.30 1.12 116.57 121.10 1ddx h LYS 317 Ca -0.07 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 1ddx h LYS 317 Cb 0.60 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.42 1ddx h LYS 317 CO 0.12 0.00 -0.04 0.37 -2.27 0.00 0.00 179.45 177.63 1ddx h GLN 318 N 0.00 0.00 -0.36 1.90 5.75 -0.96 -3.17 115.11 118.27 1ddx h GLN 318 Ca 0.00 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.49 1ddx h GLN 318 Cb 1.08 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.61 1ddx h GLN 318 CO 0.00 0.99 0.18 0.93 -2.65 0.00 0.00 178.83 178.27 1ddx h GLU 319 N -1.00 0.51 -3.05 1.69 3.07 0.15 -3.36 114.58 112.59 1ddx h GLU 319 Ca -0.01 -0.07 -0.62 0.00 -0.50 0.00 0.00 59.36 58.16 1ddx h GLU 319 Cb 1.00 -0.09 -0.42 0.00 -0.84 0.00 0.00 28.75 28.40 1ddx h GLU 319 CO -0.01 0.45 -0.61 -1.01 -1.40 0.00 0.00 179.01 176.43 1ddx s HIS 320 N -5.75 3.34 -1.34 4.33 3.76 0.18 -4.87 115.29 114.94 1ddx s HIS 320 Ca -0.13 -3.24 0.07 0.00 -0.15 0.00 0.00 55.06 51.60 1ddx s HIS 320 Cb 0.10 -2.57 0.33 0.00 1.11 0.00 0.00 32.58 31.55 1ddx s HIS 320 CO 0.73 -0.58 1.10 -0.35 -0.85 0.00 0.00 174.74 174.79 1ddx n PRO 321 N 2.13 0.08 -0.68 8.40 -0.04 -1.20 -1.41 135.00 142.29 1ddx n PRO 321 Ca 0.19 0.26 0.07 0.00 -0.04 0.00 0.00 63.50 63.97 1ddx n PRO 321 Cb 0.36 -1.50 0.32 0.00 -0.04 0.00 0.00 33.50 32.64 1ddx n PRO 321 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1ddx n GLU 322 N -1.33 3.72 -3.86 0.54 -0.00 -1.26 -5.00 120.64 113.45 1ddx n GLU 322 Ca 0.03 -3.00 -0.21 0.00 -0.00 0.00 0.00 57.16 53.98 1ddx n GLU 322 Cb 0.06 -2.04 -0.02 0.00 -0.00 0.00 0.00 31.44 29.44 1ddx n GLU 322 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.13 175.55 1ddx s TRP 323 N -2.84 3.25 0.29 -1.84 0.52 -0.50 -5.12 118.94 112.70 1ddx s TRP 323 Ca 0.48 -0.11 0.05 0.00 0.02 0.00 0.00 56.10 56.53 1ddx s TRP 323 Cb 0.38 -1.67 -0.02 0.00 -1.15 0.00 0.00 33.47 31.01 1ddx s TRP 323 CO 0.12 0.32 0.43 0.20 0.02 0.00 0.00 176.95 178.04 1ddx s GLY 324 N -4.00 1.36 0.12 0.98 0.00 -1.26 -4.94 107.32 99.58 1ddx s GLY 324 Ca 0.37 -1.25 -0.32 0.00 0.00 0.00 0.00 44.72 43.52 1ddx s GLY 324 CO 0.29 -1.22 1.57 -1.80 0.00 0.00 0.00 173.10 171.93 1ddx h ASP 325 N 0.99 -1.54 0.10 1.64 3.58 -1.94 0.64 116.42 119.89 1ddx h ASP 325 Ca -0.49 0.19 0.00 0.00 0.42 0.00 0.00 57.03 57.14 1ddx h ASP 325 Cb 1.24 0.60 0.00 0.00 1.72 0.00 0.00 39.33 42.89 1ddx h ASP 325 CO 0.58 -0.48 0.00 -0.33 -2.88 0.00 0.00 179.24 176.13 1ddx h GLU 326 N -0.59 0.00 0.12 0.28 4.39 -1.96 -0.33 114.58 116.50 1ddx h GLU 326 Ca 0.04 0.00 -0.32 0.00 0.34 0.00 0.00 59.36 59.42 1ddx h GLU 326 Cb 0.68 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.32 1ddx h GLU 326 CO -0.39 0.00 -1.67 0.37 -1.16 0.00 0.00 179.01 176.16 1ddx h GLN 327 N 0.00 0.26 0.61 2.33 4.15 -1.40 -3.08 115.11 117.98 1ddx h GLN 327 Ca 0.00 -0.45 -0.03 0.00 0.77 0.00 0.00 58.65 58.94 1ddx h GLN 327 Cb 0.05 0.17 -0.00 0.00 0.21 0.00 0.00 27.48 27.90 1ddx h GLN 327 CO 0.00 1.21 -0.39 -0.07 -1.93 0.00 0.00 178.83 177.65 1ddx h LEU 328 N -0.15 -1.00 -0.97 -2.39 3.38 -0.42 0.32 115.31 114.08 1ddx h LEU 328 Ca -0.36 0.06 0.29 0.00 0.09 0.00 0.00 57.88 57.96 1ddx h LEU 328 Cb 1.88 0.29 -0.17 0.00 0.09 0.00 0.00 40.66 42.76 1ddx h LEU 328 CO 0.07 -0.59 0.18 0.15 0.09 0.00 0.00 178.44 178.33 1ddx h PHE 329 N -0.95 0.22 0.03 1.13 3.57 -1.13 0.31 116.94 120.12 1ddx h PHE 329 Ca -0.08 0.06 -0.23 0.00 3.53 0.00 0.00 57.97 61.25 1ddx h PHE 329 Cb 0.76 0.06 -0.00 0.00 2.79 0.00 0.00 35.95 39.56 1ddx h PHE 329 CO -0.07 -0.40 -0.99 1.96 -2.23 0.00 0.00 178.31 176.58 1ddx h GLN 330 N 0.05 0.28 -0.30 1.11 1.08 -1.32 -2.76 115.11 113.25 1ddx h GLN 330 Ca 0.64 -0.35 -0.07 0.00 -1.45 0.00 0.00 58.65 57.43 1ddx h GLN 330 Cb 1.42 0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 28.94 1ddx h GLN 330 CO -0.84 1.07 -0.09 1.15 -0.95 0.00 0.00 178.83 179.18 1ddx h THR 331 N 0.14 1.28 0.02 -0.54 2.02 0.24 -2.58 112.91 113.49 1ddx h THR 331 Ca -0.08 -1.13 0.00 0.00 0.77 0.00 0.00 66.41 65.98 1ddx h THR 331 Cb 1.64 1.41 -0.01 0.00 -1.74 0.00 0.00 68.15 69.45 1ddx h THR 331 CO 0.16 0.36 -0.14 0.28 0.37 0.00 0.00 175.52 176.55 1ddx h SER 332 N 0.34 -0.42 -1.52 4.18 0.02 -0.58 0.17 113.55 115.75 1ddx h SER 332 Ca 0.07 0.05 0.44 0.00 -0.84 0.00 0.00 61.79 61.51 1ddx h SER 332 Cb 0.58 0.16 -0.06 0.00 0.14 0.00 0.00 62.40 63.21 1ddx h SER 332 CO 0.03 -0.14 1.18 -0.09 -1.14 0.00 0.00 176.83 176.67 1ddx h ARG 333 N -0.19 0.00 0.00 3.45 2.43 -1.49 0.64 114.38 119.23 1ddx h ARG 333 Ca 0.00 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.10 1ddx h ARG 333 Cb 0.19 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.75 1ddx h ARG 333 CO -0.08 0.00 -0.29 -0.07 -1.51 0.00 0.00 179.97 178.02 1ddx h LEU 334 N 0.00 0.25 0.38 3.80 3.38 -0.36 -2.17 115.31 120.59 1ddx h LEU 334 Ca 0.72 -0.79 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1ddx h LEU 334 Cb 3.06 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 43.74 1ddx h LEU 334 CO -0.01 1.01 -0.19 0.40 0.09 0.00 0.00 178.44 179.74 1ddx h ILE 335 N -0.48 0.61 -0.15 1.22 2.04 0.24 -1.77 117.51 119.21 1ddx h ILE 335 Ca -0.04 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.87 1ddx h ILE 335 Cb 1.06 0.61 -0.06 0.00 -0.74 0.00 0.00 36.82 37.69 1ddx h ILE 335 CO 0.06 0.00 -0.27 -0.07 0.00 0.00 0.00 178.15 177.87 1ddx h LEU 336 N -0.52 -0.84 -0.99 1.44 4.07 -0.79 0.26 115.31 117.95 1ddx h LEU 336 Ca -0.05 0.13 0.22 0.00 0.08 0.00 0.00 57.88 58.26 1ddx h LEU 336 Cb 0.40 0.37 -0.12 0.00 1.08 0.00 0.00 40.66 42.40 1ddx h LEU 336 CO 0.08 -0.31 0.58 0.40 -1.08 0.00 0.00 178.44 178.11 1ddx h ILE 337 N -0.33 0.61 0.68 1.22 2.04 -1.27 0.17 117.51 120.64 1ddx h ILE 337 Ca 0.11 -0.22 -0.03 0.00 1.00 0.00 0.00 64.86 65.72 1ddx h ILE 337 Cb 0.49 -0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 36.47 1ddx h ILE 337 CO -0.34 0.12 -0.40 1.23 0.00 0.00 0.00 178.15 178.76 1ddx h GLY 338 N 0.65 -1.09 -0.50 5.37 0.00 0.33 -1.09 103.07 106.74 1ddx h GLY 338 Ca 0.60 0.44 0.07 0.00 0.00 0.00 0.00 47.33 48.44 1ddx h GLY 338 CO -0.44 -0.39 -0.52 0.83 0.00 0.00 0.00 176.54 176.03 1ddx h GLU 339 N -1.01 -0.29 -0.30 4.80 5.08 0.14 0.06 114.58 123.06 1ddx h GLU 339 Ca -0.09 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1ddx h GLU 339 Cb 0.81 0.07 -0.05 0.00 0.50 0.00 0.00 28.75 30.07 1ddx h GLU 339 CO 0.10 -0.19 -0.34 1.15 -1.00 0.00 0.00 179.01 178.73 1ddx h THR 340 N -0.30 0.00 -1.16 1.13 2.02 -0.87 0.84 112.91 114.57 1ddx h THR 340 Ca 0.12 0.00 0.33 0.00 0.77 0.00 0.00 66.41 67.63 1ddx h THR 340 Cb 0.57 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 66.90 1ddx h THR 340 CO -0.66 0.00 0.79 0.40 0.37 0.00 0.00 175.52 176.41 1ddx h ILE 341 N -0.20 0.41 0.05 3.11 1.08 -0.07 0.10 117.51 121.99 1ddx h ILE 341 Ca 0.05 -0.06 -0.00 0.00 -0.39 0.00 0.00 64.86 64.46 1ddx h ILE 341 Cb 0.34 0.20 0.00 0.00 -3.07 0.00 0.00 36.82 34.29 1ddx h ILE 341 CO -0.39 0.03 -0.02 0.50 -0.69 0.00 0.00 178.15 177.58 1ddx h LYS 342 N 0.19 -0.06 -1.40 2.37 1.63 0.17 -2.67 116.57 116.79 1ddx h LYS 342 Ca 0.62 0.00 0.41 0.00 -0.85 0.00 0.00 60.65 60.83 1ddx h LYS 342 Cb 2.01 0.01 -0.06 0.00 -0.60 0.00 0.00 32.23 33.59 1ddx h LYS 342 CO -0.19 -0.04 1.00 0.82 -3.45 0.00 0.00 179.45 177.58 1ddx h ILE 343 N -0.14 0.29 0.06 2.00 2.04 0.11 0.22 117.51 122.10 1ddx h ILE 343 Ca -0.01 -0.01 -0.00 0.00 1.00 0.00 0.00 64.86 65.84 1ddx h ILE 343 Cb 0.05 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 36.39 1ddx h ILE 343 CO 0.01 0.01 -0.03 0.58 0.00 0.00 0.00 178.15 178.72 1ddx h VAL 344 N 0.03 0.00 -0.42 1.67 2.07 -0.91 -2.34 116.25 116.36 1ddx h VAL 344 Ca 0.68 -0.16 0.09 0.00 0.82 0.00 0.00 66.70 68.13 1ddx h VAL 344 Cb 2.64 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 32.32 1ddx h VAL 344 CO -0.05 0.00 -0.29 0.40 0.02 0.00 0.00 177.57 177.65 1ddx h ILE 345 N -0.23 0.28 0.00 4.57 2.04 -0.94 0.25 117.51 123.47 1ddx h ILE 345 Ca -0.01 0.00 -0.15 0.00 1.00 0.00 0.00 64.86 65.71 1ddx h ILE 345 Cb 0.06 0.28 -0.02 0.00 -0.74 0.00 0.00 36.82 36.39 1ddx h ILE 345 CO 0.01 0.00 -0.70 -0.33 0.00 0.00 0.00 178.15 177.14 1ddx h GLU 346 N -0.21 0.00 0.00 2.37 5.08 -0.77 -2.95 114.58 118.10 1ddx h GLU 346 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1ddx h GLU 346 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1ddx h GLU 346 CO -0.54 0.70 0.00 -0.25 -1.00 0.00 0.00 179.01 177.92 1ddx n ASP 347 N -3.54 0.00 0.00 1.42 8.00 -0.90 -4.32 116.55 117.21 1ddx n ASP 347 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1ddx n ASP 347 Cb 0.72 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.82 1ddx n ASP 347 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ddx n TYR 348 N 0.00 0.00 -0.31 1.24 9.36 -1.07 0.23 117.16 126.60 1ddx n TYR 348 Ca 0.00 0.00 0.19 0.00 3.32 0.00 0.00 57.90 61.41 1ddx n TYR 348 Cb 0.00 0.00 0.37 0.00 -0.63 0.00 0.00 39.34 39.08 1ddx n TYR 348 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 1ddx n VAL 349 N 0.00 -0.39 0.07 2.97 0.31 0.06 -0.93 118.33 120.41 1ddx n VAL 349 Ca 0.00 1.99 -0.08 0.00 -0.01 0.00 0.00 64.34 66.24 1ddx n VAL 349 Cb 0.00 -3.01 -0.05 0.00 -0.91 0.00 0.00 33.84 29.87 1ddx n VAL 349 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 1ddx h GLN 350 N 0.00 -0.35 -0.24 5.55 5.75 0.30 -1.76 115.11 124.35 1ddx h GLN 350 Ca 0.64 0.02 0.05 0.00 -0.15 0.00 0.00 58.65 59.21 1ddx h GLN 350 Cb 1.48 0.08 -0.07 0.00 1.07 0.00 0.00 27.48 30.04 1ddx h GLN 350 CO -0.82 -0.24 -0.47 1.25 -2.65 0.00 0.00 178.83 175.90 1ddx h HIS 351 N -0.37 -1.39 -0.75 3.99 2.76 0.11 0.11 115.15 119.61 1ddx h HIS 351 Ca -0.01 0.06 0.22 0.00 -2.20 0.00 0.00 60.37 58.44 1ddx h HIS 351 Cb 0.36 0.64 -0.03 0.00 1.55 0.00 0.00 27.41 29.93 1ddx h HIS 351 CO -0.33 -0.49 0.95 1.25 -1.30 0.00 0.00 177.93 178.01 1ddx h LEU 352 N -0.46 0.00 0.00 0.26 5.85 -0.98 0.46 115.31 120.44 1ddx h LEU 352 Ca 0.08 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.70 1ddx h LEU 352 Cb 0.63 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.64 1ddx h LEU 352 CO -0.48 0.00 -1.71 -1.54 -0.34 0.00 0.00 178.44 174.37 1ddx n SER 353 N -3.31 0.39 -1.53 1.25 3.41 0.34 -4.89 113.62 109.29 1ddx n SER 353 Ca 0.16 0.16 -0.18 0.00 -0.26 0.00 0.00 58.87 58.75 1ddx n SER 353 Cb 1.20 1.06 -0.08 0.00 -0.26 0.00 0.00 64.21 66.13 1ddx n SER 353 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ddx n GLY 354 N 1.36 1.73 3.80 5.00 0.00 0.16 -4.93 105.19 112.30 1ddx n GLY 354 Ca -0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.62 1ddx n GLY 354 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ddx s TYR 355 N -2.54 2.91 -0.12 1.61 2.02 -1.26 -4.63 117.35 115.34 1ddx s TYR 355 Ca 0.00 1.41 0.16 0.00 -0.37 0.00 0.00 57.07 58.27 1ddx s TYR 355 Cb 0.00 -2.97 -0.14 0.00 -0.40 0.00 0.00 41.96 38.45 1ddx s TYR 355 CO 0.00 -1.50 0.80 0.72 -1.57 0.00 0.00 175.55 174.01 1ddx n HIS 356 N -3.30 0.98 -2.15 2.71 8.25 0.71 -4.83 115.22 117.58 1ddx n HIS 356 Ca 0.08 0.33 -0.42 0.00 -0.26 0.00 0.00 57.72 57.45 1ddx n HIS 356 Cb 0.54 -1.09 -0.03 0.00 1.12 0.00 0.00 29.99 30.52 1ddx n HIS 356 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 1ddx s PHE 357 N -2.90 3.23 -0.49 4.41 5.36 -1.26 -4.81 117.98 121.53 1ddx s PHE 357 Ca -0.03 0.95 -0.29 0.00 -0.96 0.00 0.00 56.93 56.60 1ddx s PHE 357 Cb 0.09 -3.70 0.03 0.00 -0.34 0.00 0.00 43.02 39.10 1ddx s PHE 357 CO 0.81 -2.42 1.16 0.15 -1.46 0.00 0.00 175.22 173.46 1ddx s LYS 358 N 1.00 3.69 0.24 10.12 1.02 -1.26 -4.98 119.74 129.57 1ddx s LYS 358 Ca 0.64 0.54 -0.31 0.00 0.02 0.00 0.00 55.97 56.87 1ddx s LYS 358 Cb -0.37 -3.93 -0.11 0.00 -0.52 0.00 0.00 37.83 32.89 1ddx s LYS 358 CO 0.31 -1.43 1.65 -0.51 -0.92 0.00 0.00 175.35 174.44 1ddx s LEU 359 N 4.58 4.36 -0.00 3.17 1.43 -1.26 -4.99 118.68 125.96 1ddx s LEU 359 Ca 0.48 2.88 0.07 0.00 -1.03 0.00 0.00 54.13 56.53 1ddx s LEU 359 Cb -0.07 -3.62 -0.03 0.00 0.03 0.00 0.00 46.19 42.50 1ddx s LEU 359 CO 0.31 -0.93 -0.20 -0.75 0.23 0.00 0.00 176.35 175.01 1ddx s LYS 360 N 0.40 2.18 -0.40 1.70 2.20 -1.26 -4.53 119.74 120.02 1ddx s LYS 360 Ca 0.69 -0.89 -0.06 0.00 -0.36 0.00 0.00 55.97 55.35 1ddx s LYS 360 Cb -0.48 -2.18 0.09 0.00 -1.51 0.00 0.00 37.83 33.75 1ddx s LYS 360 CO 0.39 0.57 0.21 0.12 -0.36 0.00 0.00 175.35 176.28 1ddx s PHE 361 N -0.76 3.43 -0.28 4.03 5.36 -1.26 -4.95 117.98 123.56 1ddx s PHE 361 Ca 0.12 -1.93 -0.00 0.00 -0.96 0.00 0.00 56.93 54.15 1ddx s PHE 361 Cb -0.10 -2.99 0.14 0.00 -0.34 0.00 0.00 43.02 39.72 1ddx s PHE 361 CO 0.02 -0.90 0.33 0.34 -1.46 0.00 0.00 175.22 173.54 1ddx s ASP 362 N 1.95 1.14 0.60 6.13 2.15 -1.26 -5.02 116.67 122.37 1ddx s ASP 362 Ca 0.04 -0.50 0.31 0.00 0.43 0.00 0.00 52.55 52.82 1ddx s ASP 362 Cb -0.23 0.73 1.81 0.00 -0.30 0.00 0.00 42.92 44.93 1ddx s ASP 362 CO -0.01 -0.36 2.20 -0.65 -0.17 0.00 0.00 175.17 176.18 1ddx h PRO 363 N 8.23 0.00 0.00 4.34 0.11 -1.95 -1.93 132.00 140.80 1ddx h PRO 363 Ca -0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.98 1ddx h PRO 363 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1ddx h PRO 363 CO 0.31 0.00 0.01 0.39 -0.21 0.00 0.00 178.00 178.50 1ddx n GLU 364 N -3.75 0.00 0.07 1.05 1.02 -1.26 -0.18 120.64 117.60 1ddx n GLU 364 Ca -0.01 0.08 0.04 0.00 -0.02 0.00 0.00 57.16 57.24 1ddx n GLU 364 Cb 0.18 -1.51 -0.04 0.00 -0.02 0.00 0.00 31.44 30.04 1ddx n GLU 364 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1ddx h LEU 365 N 0.00 0.00 -1.79 -4.62 3.38 -1.76 -3.34 115.31 107.18 1ddx h LEU 365 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ddx h LEU 365 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1ddx h LEU 365 CO 0.00 0.39 -0.04 0.18 0.09 0.00 0.00 178.44 179.05 1ddx n LEU 366 N -2.88 2.83 -0.52 1.67 4.77 0.75 -4.52 117.00 119.10 1ddx n LEU 366 Ca -0.05 -0.95 0.00 0.00 -0.03 0.00 0.00 56.01 54.98 1ddx n LEU 366 Cb 0.73 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.82 1ddx n LEU 366 CO 0.41 0.47 0.09 0.49 -1.33 0.00 0.00 177.39 177.53 1ddx n PHE 367 N 1.16 0.00 -1.76 -1.77 0.99 -1.22 -0.04 117.46 114.82 1ddx n PHE 367 Ca 0.14 -0.01 -0.01 0.00 -0.00 0.00 0.00 57.45 57.58 1ddx n PHE 367 Cb 0.57 -0.04 -0.01 0.00 -1.00 0.00 0.00 39.48 39.01 1ddx n PHE 367 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.76 177.03 1ddx n ASN 368 N 0.35 -0.12 -4.27 4.37 6.94 -1.26 -5.10 115.26 116.17 1ddx n ASN 368 Ca 0.00 -0.86 -0.32 0.00 -0.02 0.00 0.00 54.58 53.38 1ddx n ASN 368 Cb 0.09 0.04 -0.16 0.00 -2.36 0.00 0.00 39.78 37.38 1ddx n ASN 368 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 1ddx s GLN 369 N 0.00 3.00 -0.88 -3.83 -1.52 0.95 -5.02 119.66 112.36 1ddx s GLN 369 Ca 0.00 -0.83 -0.25 0.00 -1.95 0.00 0.00 55.36 52.33 1ddx s GLN 369 Cb 0.00 -2.35 -0.18 0.00 -0.22 0.00 0.00 33.01 30.26 1ddx s GLN 369 CO 0.00 0.25 1.91 1.04 -0.25 0.00 0.00 175.29 178.24 1ddx n GLN 370 N 3.35 1.05 -4.80 2.91 6.02 -1.26 -4.86 117.38 119.80 1ddx n GLN 370 Ca -0.18 -1.94 -0.33 0.00 -0.01 0.00 0.00 57.00 54.54 1ddx n GLN 370 Cb 0.53 -3.37 -0.14 0.00 1.02 0.00 0.00 30.24 28.28 1ddx n GLN 370 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 1ddx s PHE 371 N 10.05 2.79 -0.82 1.08 5.36 -1.26 -5.03 117.98 130.16 1ddx s PHE 371 Ca 0.68 -0.51 -0.22 0.00 -0.96 0.00 0.00 56.93 55.93 1ddx s PHE 371 Cb 0.05 -1.79 0.09 0.00 -0.34 0.00 0.00 43.02 41.02 1ddx s PHE 371 CO 0.17 -0.10 1.12 -0.65 -1.46 0.00 0.00 175.22 174.30 1ddx s GLN 372 N 0.07 3.36 -0.34 10.12 -1.52 -1.26 -4.93 119.66 125.17 1ddx s GLN 372 Ca -0.05 -1.16 -0.23 0.00 -1.95 0.00 0.00 55.36 51.97 1ddx s GLN 372 Cb -0.15 -4.64 -0.24 0.00 -0.22 0.00 0.00 33.01 27.77 1ddx s GLN 372 CO 0.04 -1.88 1.68 0.66 -0.25 0.00 0.00 175.29 175.54 1ddx n TYR 373 N 7.59 0.76 -3.55 0.91 4.02 -1.26 -4.70 117.16 120.92 1ddx n TYR 373 Ca 0.12 -1.07 -0.09 0.00 -0.01 0.00 0.00 57.90 56.85 1ddx n TYR 373 Cb 0.48 -1.14 -0.02 0.00 -0.02 0.00 0.00 39.34 38.64 1ddx n TYR 373 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 176.86 176.99 1ddx s GLN 374 N 5.83 1.23 -0.26 -0.72 -2.07 -0.69 -4.66 119.66 118.32 1ddx s GLN 374 Ca 0.56 -0.53 -0.25 0.00 -1.82 0.00 0.00 55.36 53.31 1ddx s GLN 374 Cb 0.13 0.51 0.07 0.00 -1.09 0.00 0.00 33.01 32.64 1ddx s GLN 374 CO 0.20 -0.55 0.74 1.21 -1.32 0.00 0.00 175.29 175.58 1ddx s ASN 375 N -2.73 -0.73 -0.08 12.60 2.47 -1.26 -4.70 114.94 120.53 1ddx s ASN 375 Ca 0.05 1.38 0.02 0.00 0.42 0.00 0.00 52.86 54.73 1ddx s ASN 375 Cb -0.02 1.39 0.01 0.00 -1.45 0.00 0.00 41.25 41.18 1ddx s ASN 375 CO -0.07 -0.26 -0.15 -0.60 -3.72 0.00 0.00 177.10 172.31 1ddx s ARG 376 N 0.30 1.99 -0.10 0.43 6.06 -1.26 -4.80 118.95 121.58 1ddx s ARG 376 Ca -0.00 -0.51 -0.30 0.00 -2.50 0.00 0.00 55.73 52.42 1ddx s ARG 376 Cb -0.05 -1.61 -0.02 0.00 0.06 0.00 0.00 34.95 33.33 1ddx s ARG 376 CO 0.01 0.04 1.09 0.42 -2.50 0.00 0.00 175.30 174.36 1ddx s ILE 377 N 0.64 4.56 0.33 4.11 1.09 -1.26 -4.78 121.20 125.90 1ddx s ILE 377 Ca -0.15 1.85 -0.21 0.00 -1.10 0.00 0.00 60.65 61.05 1ddx s ILE 377 Cb -0.16 -4.19 -0.10 0.00 -1.06 0.00 0.00 42.46 36.95 1ddx s ILE 377 CO 0.04 -0.02 0.85 0.00 -0.10 0.00 0.00 174.94 175.72 1ddx s ALA 378 N 2.23 3.23 0.08 9.38 0.00 -1.25 -0.92 121.76 134.51 1ddx s ALA 378 Ca 0.51 0.30 -0.29 0.00 0.00 0.00 0.00 51.96 52.48 1ddx s ALA 378 Cb -0.20 -3.00 -0.16 0.00 0.00 0.00 0.00 23.12 19.76 1ddx s ALA 378 CO 0.18 0.23 1.67 1.03 0.00 0.00 0.00 175.76 178.87 1ddx h SER 379 N 2.63 -0.50 -0.15 0.00 0.87 -1.03 -2.62 113.55 112.75 1ddx h SER 379 Ca -0.48 0.03 0.01 0.00 -1.23 0.00 0.00 61.79 60.12 1ddx h SER 379 Cb 1.18 0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 63.27 1ddx h SER 379 CO 0.64 -0.33 -0.10 -0.33 -0.53 0.00 0.00 176.83 176.17 1ddx h GLU 380 N -0.53 -0.02 -1.24 2.24 3.07 -1.95 0.67 114.58 116.81 1ddx h GLU 380 Ca -0.04 0.00 0.45 0.00 -0.50 0.00 0.00 59.36 59.27 1ddx h GLU 380 Cb 0.43 0.00 -0.15 0.00 -0.84 0.00 0.00 28.75 28.20 1ddx h GLU 380 CO 0.05 -0.01 0.76 0.35 -1.40 0.00 0.00 179.01 178.76 1ddx h PHE 381 N -0.02 0.63 -0.16 4.33 3.57 -1.93 0.85 116.94 124.21 1ddx h PHE 381 Ca 0.02 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.53 1ddx h PHE 381 Cb 0.08 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.67 1ddx h PHE 381 CO -0.85 -0.33 0.00 -0.97 -2.23 0.00 0.00 178.31 173.93 1ddx h ASN 382 N 0.03 0.28 0.75 0.41 -0.00 0.68 -2.99 115.58 114.74 1ddx h ASN 382 Ca 0.86 -0.31 -0.04 0.00 -0.00 0.00 0.00 56.30 56.81 1ddx h ASN 382 Cb 2.56 -0.08 0.01 0.00 -0.00 0.00 0.00 38.32 40.81 1ddx h ASN 382 CO -0.56 0.52 -0.36 0.74 -0.00 0.00 0.00 177.43 177.77 1ddx h THR 383 N 0.04 0.20 -1.02 -3.57 2.02 0.20 -2.01 112.91 108.77 1ddx h THR 383 Ca 0.05 -0.12 0.29 0.00 0.77 0.00 0.00 66.41 67.41 1ddx h THR 383 Cb 0.37 0.23 -0.04 0.00 -1.74 0.00 0.00 68.15 66.97 1ddx h THR 383 CO 0.01 0.01 1.13 -0.07 0.37 0.00 0.00 175.52 176.97 1ddx h LEU 384 N -1.10 0.00 -0.63 2.58 3.38 -1.20 0.87 115.31 119.21 1ddx h LEU 384 Ca -0.10 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.80 1ddx h LEU 384 Cb 0.79 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.51 1ddx h LEU 384 CO 0.17 0.00 0.15 0.22 0.09 0.00 0.00 178.44 179.07 1ddx h TYR 385 N 0.00 1.07 -0.01 1.13 3.20 -1.20 -3.39 116.97 117.77 1ddx h TYR 385 Ca 0.48 -0.13 -0.12 0.00 3.14 0.00 0.00 58.73 62.10 1ddx h TYR 385 Cb 2.74 -0.30 0.03 0.00 1.54 0.00 0.00 36.73 40.74 1ddx h TYR 385 CO 0.00 0.89 0.74 0.72 -1.64 0.00 0.00 178.16 178.87 1ddx n HIS 386 N -4.31 0.08 -1.27 -3.82 -0.00 0.30 -4.63 115.22 101.57 1ddx n HIS 386 Ca 0.04 -0.12 -0.29 0.00 -0.00 0.00 0.00 57.72 57.35 1ddx n HIS 386 Cb 0.25 -0.68 0.05 0.00 -0.00 0.00 0.00 29.99 29.61 1ddx n HIS 386 CO 0.00 0.00 0.00 0.91 -0.00 0.00 0.00 176.34 177.25 1ddx n TRP 387 N 6.28 2.51 -0.24 4.41 8.01 -1.26 -4.78 117.44 132.37 1ddx n TRP 387 Ca 0.13 -2.51 0.03 0.00 -1.31 0.00 0.00 57.50 53.84 1ddx n TRP 387 Cb 0.36 -1.26 0.12 0.00 -2.01 0.00 0.00 31.31 28.52 1ddx n TRP 387 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.69 177.13 1ddx h HIS 388 N 2.03 -0.13 -1.69 -5.99 3.86 -1.96 -1.64 115.15 109.62 1ddx h HIS 388 Ca 0.48 0.05 0.51 0.00 -1.16 0.00 0.00 60.37 60.25 1ddx h HIS 388 Cb 0.75 0.17 -0.08 0.00 1.06 0.00 0.00 27.41 29.30 1ddx h HIS 388 CO 1.21 -0.24 1.20 -2.30 0.86 0.00 0.00 177.93 178.66 1ddx n PRO 389 N -5.36 -0.01 -0.28 2.45 -0.01 -1.26 0.11 135.00 130.65 1ddx n PRO 389 Ca 0.11 1.02 -0.00 0.00 -0.01 0.00 0.00 63.50 64.61 1ddx n PRO 389 Cb 0.41 -2.27 0.13 0.00 -0.01 0.00 0.00 33.50 31.75 1ddx n PRO 389 CO 0.00 0.00 0.00 -0.07 -0.01 0.00 0.00 175.50 175.42 1ddx h LEU 390 N 0.00 0.73 -9.29 2.45 3.38 -1.17 -3.03 115.31 108.38 1ddx h LEU 390 Ca 0.85 0.02 -0.67 0.00 0.09 0.00 0.00 57.88 58.17 1ddx h LEU 390 Cb 3.27 -0.13 0.04 0.00 0.09 0.00 0.00 40.66 43.94 1ddx h LEU 390 CO -0.09 0.46 0.70 0.18 0.09 0.00 0.00 178.44 179.78 1ddx n LEU 391 N -4.69 2.32 0.00 1.67 4.77 0.31 -0.36 117.00 121.03 1ddx n LEU 391 Ca 0.11 1.08 -0.07 0.00 -0.03 0.00 0.00 56.01 57.10 1ddx n LEU 391 Cb 0.18 -1.25 0.06 0.00 -2.33 0.00 0.00 43.42 40.08 1ddx n LEU 391 CO 0.30 -0.64 0.18 -0.81 -1.33 0.00 0.00 177.39 175.09 1ddx n PRO 392 N 3.82 -1.03 -0.05 3.23 -0.04 -1.26 -4.47 135.00 135.20 1ddx n PRO 392 Ca 0.20 -0.46 0.00 0.00 -0.04 0.00 0.00 63.50 63.20 1ddx n PRO 392 Cb 0.21 -0.37 -0.15 0.00 -0.04 0.00 0.00 33.50 33.14 1ddx n PRO 392 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1ddx n ASP 393 N -3.36 0.09 -4.13 3.54 9.92 -1.26 -4.94 116.55 116.42 1ddx n ASP 393 Ca 0.04 0.04 -0.11 0.00 -0.53 0.00 0.00 54.79 54.23 1ddx n ASP 393 Cb 0.14 1.34 -0.09 0.00 -0.64 0.00 0.00 41.12 41.87 1ddx n ASP 393 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1ddx s THR 394 N -2.98 0.03 -0.29 -3.53 -4.23 -1.26 -4.54 115.64 98.85 1ddx s THR 394 Ca -0.08 -1.81 0.03 0.00 -1.18 0.00 0.00 61.69 58.64 1ddx s THR 394 Cb 0.10 -2.27 0.08 0.00 1.34 0.00 0.00 72.50 71.75 1ddx s THR 394 CO 0.86 -0.14 -0.03 -0.36 -0.54 0.00 0.00 174.62 174.41 1ddx s PHE 395 N -4.09 3.17 -0.53 3.99 0.40 0.16 -4.81 117.98 116.26 1ddx s PHE 395 Ca 0.30 -2.41 -0.21 0.00 -0.60 0.00 0.00 56.93 54.01 1ddx s PHE 395 Cb 0.06 -2.19 0.06 0.00 0.51 0.00 0.00 43.02 41.45 1ddx s PHE 395 CO 0.08 -0.88 0.74 -0.80 0.70 0.00 0.00 175.22 175.06 1ddx s ASN 396 N 1.12 6.25 -0.39 1.36 0.02 -1.26 0.50 114.94 122.54 1ddx s ASN 396 Ca -0.00 -0.79 -0.09 0.00 -1.02 0.00 0.00 52.86 50.96 1ddx s ASN 396 Cb -0.19 -2.34 0.06 0.00 0.02 0.00 0.00 41.25 38.79 1ddx s ASN 396 CO -0.08 -1.04 0.21 -0.63 0.02 0.00 0.00 177.10 175.59 1ddx s ILE 397 N 3.10 4.22 0.00 0.60 -1.09 -1.06 -4.59 121.20 122.38 1ddx s ILE 397 Ca 0.20 -1.21 0.00 0.00 -2.23 0.00 0.00 60.65 57.41 1ddx s ILE 397 Cb -0.17 -3.48 0.00 0.00 -1.58 0.00 0.00 42.46 37.22 1ddx s ILE 397 CO 0.13 -0.37 0.00 1.21 -1.23 0.00 0.00 174.94 174.69 1ddx n GLU 398 N 4.91 0.00 0.00 2.79 2.13 -1.26 -2.94 120.64 126.28 1ddx n GLU 398 Ca -0.11 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.71 1ddx n GLU 398 Cb 0.44 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.15 1ddx n GLU 398 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1ddx n ASP 399 N 5.13 0.00 -2.66 4.31 8.00 -1.26 -4.86 116.55 125.21 1ddx n ASP 399 Ca 0.00 0.89 -0.25 0.00 0.71 0.00 0.00 54.79 56.15 1ddx n ASP 399 Cb 0.00 -0.44 0.02 0.00 -0.02 0.00 0.00 41.12 40.68 1ddx n ASP 399 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ddx n GLN 400 N -1.82 0.00 -3.75 -1.24 1.13 -1.15 -4.99 117.38 105.56 1ddx n GLN 400 Ca 0.00 0.00 -0.13 0.00 -1.94 0.00 0.00 57.00 54.93 1ddx n GLN 400 Cb 0.00 -0.66 -0.13 0.00 0.11 0.00 0.00 30.24 29.56 1ddx n GLN 400 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1ddx s GLU 401 N -1.33 0.21 0.31 -1.09 2.02 -1.26 -2.56 118.70 115.01 1ddx s GLU 401 Ca 0.25 0.46 0.10 0.00 0.02 0.00 0.00 54.97 55.80 1ddx s GLU 401 Cb -0.04 -0.06 -0.06 0.00 0.10 0.00 0.00 34.13 34.07 1ddx s GLU 401 CO 0.50 -0.13 -0.12 0.71 0.02 0.00 0.00 175.26 176.25 1ddx s TYR 402 N 0.96 2.29 0.26 1.61 2.02 0.18 -4.83 117.35 119.84 1ddx s TYR 402 Ca -0.07 -0.49 0.08 0.00 -0.37 0.00 0.00 57.07 56.23 1ddx s TYR 402 Cb -0.08 -1.22 -0.04 0.00 -0.40 0.00 0.00 41.96 40.22 1ddx s TYR 402 CO -0.06 0.57 0.11 -1.54 -1.57 0.00 0.00 175.55 173.06 1ddx s SER 403 N -3.55 5.09 0.13 2.29 1.04 -1.26 0.36 113.70 117.80 1ddx s SER 403 Ca 0.31 -0.43 -0.24 0.00 0.48 0.00 0.00 55.95 56.07 1ddx s SER 403 Cb 0.01 -1.15 -0.02 0.00 0.10 0.00 0.00 66.02 64.96 1ddx s SER 403 CO 0.15 -0.03 1.64 -0.26 0.98 0.00 0.00 173.24 175.72 1ddx h PHE 404 N 1.65 -0.62 -1.14 5.02 -1.00 -1.97 0.84 116.94 119.72 1ddx h PHE 404 Ca -0.47 0.03 0.33 0.00 2.81 0.00 0.00 57.97 60.67 1ddx h PHE 404 Cb 1.24 0.29 -0.05 0.00 3.61 0.00 0.00 35.95 41.05 1ddx h PHE 404 CO 0.61 -0.32 0.88 0.87 -1.61 0.00 0.00 178.31 178.74 1ddx h LYS 405 N -0.31 0.00 0.00 1.51 6.56 -1.95 -1.56 116.57 120.81 1ddx h LYS 405 Ca 0.09 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.68 1ddx h LYS 405 Cb 0.45 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.11 1ddx h LYS 405 CO -0.28 0.00 -0.02 1.96 -2.06 0.00 0.00 179.45 179.05 1ddx h GLN 406 N 0.00 0.00 -0.97 3.15 4.20 -0.02 -3.41 115.11 118.07 1ddx h GLN 406 Ca 0.54 0.00 0.10 0.00 0.06 0.00 0.00 58.65 59.35 1ddx h GLN 406 Cb 2.29 0.00 -0.12 0.00 0.30 0.00 0.00 27.48 29.94 1ddx h GLN 406 CO -0.01 0.00 -0.54 0.34 -0.67 0.00 0.00 178.83 177.96 1ddx n PHE 407 N -2.42 -0.34 -1.29 2.96 7.35 0.20 -4.45 117.46 119.48 1ddx n PHE 407 Ca -0.00 1.21 -0.50 0.00 -0.76 0.00 0.00 57.45 57.39 1ddx n PHE 407 Cb 0.01 -0.63 -0.07 0.00 0.35 0.00 0.00 39.48 39.14 1ddx n PHE 407 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 1ddx n LEU 408 N -5.25 0.62 -1.48 -2.13 4.77 -0.63 -0.54 117.00 112.36 1ddx n LEU 408 Ca 0.03 0.91 -0.14 0.00 -0.03 0.00 0.00 56.01 56.78 1ddx n LEU 408 Cb 0.28 -0.69 -0.06 0.00 -2.33 0.00 0.00 43.42 40.62 1ddx n LEU 408 CO -0.15 -0.93 -0.14 -1.22 -1.33 0.00 0.00 177.39 173.62 1ddx n TYR 409 N 2.45 -0.39 -3.11 -1.77 0.53 -0.57 -4.88 117.16 109.42 1ddx n TYR 409 Ca 0.21 0.00 -0.36 0.00 -1.02 0.00 0.00 57.90 56.73 1ddx n TYR 409 Cb -0.01 -2.72 -0.02 0.00 -1.03 0.00 0.00 39.34 35.56 1ddx n TYR 409 CO 0.00 0.00 0.00 -1.71 -1.02 0.00 0.00 176.86 174.13 1ddx n ASN 410 N -0.70 5.48 0.10 7.72 2.85 0.30 -4.75 115.26 126.26 1ddx n ASN 410 Ca -0.14 -3.47 0.10 0.00 -0.11 0.00 0.00 54.58 50.95 1ddx n ASN 410 Cb 0.48 -1.01 0.44 0.00 1.24 0.00 0.00 39.78 40.93 1ddx n ASN 410 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 1ddx n ASN 411 N 0.92 0.47 -0.18 1.20 5.03 -1.26 -0.95 115.26 120.49 1ddx n ASN 411 Ca 0.30 0.64 0.14 0.00 0.87 0.00 0.00 54.58 56.52 1ddx n ASN 411 Cb 0.36 -0.73 0.47 0.00 -1.02 0.00 0.00 39.78 38.86 1ddx n ASN 411 CO 0.00 0.00 0.00 -1.28 -1.83 0.00 0.00 177.26 174.15 1ddx h SER 412 N 0.00 0.46 0.30 6.41 0.87 -1.95 0.61 113.55 120.24 1ddx h SER 412 Ca 0.00 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.58 1ddx h SER 412 Cb 0.25 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 1ddx h SER 412 CO 0.00 0.24 -0.31 0.40 -0.53 0.00 0.00 176.83 176.63 1ddx h ILE 413 N 0.49 0.00 -0.78 2.23 2.04 -1.43 0.28 117.51 120.34 1ddx h ILE 413 Ca 0.38 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.36 1ddx h ILE 413 Cb 0.77 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.72 1ddx h ILE 413 CO -0.13 0.00 -0.40 0.25 0.00 0.00 0.00 178.15 177.87 1ddx h LEU 414 N -0.61 -1.43 -0.65 1.44 5.85 -1.08 0.26 115.31 119.09 1ddx h LEU 414 Ca -0.04 0.27 0.07 0.00 0.84 0.00 0.00 57.88 59.02 1ddx h LEU 414 Cb 0.53 0.70 -0.06 0.00 0.37 0.00 0.00 40.66 42.21 1ddx h LEU 414 CO -0.05 -0.30 0.34 -0.07 -0.34 0.00 0.00 178.44 178.02 1ddx h LEU 415 N -0.10 0.47 0.49 2.25 3.38 -0.92 -0.23 115.31 120.65 1ddx h LEU 415 Ca 0.26 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.26 1ddx h LEU 415 Cb 0.56 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 1ddx h LEU 415 CO -0.83 0.30 -0.49 -0.08 0.09 0.00 0.00 178.44 177.43 1ddx h GLU 416 N 0.61 -0.95 0.14 1.13 4.81 0.31 -3.30 114.58 117.34 1ddx h GLU 416 Ca 0.30 0.06 -0.30 0.00 -0.13 0.00 0.00 59.36 59.29 1ddx h GLU 416 Cb 0.24 0.21 0.03 0.00 0.63 0.00 0.00 28.75 29.86 1ddx h GLU 416 CO -0.21 -0.63 -1.28 0.45 -0.73 0.00 0.00 179.01 176.61 1ddx h HIS 417 N -0.98 0.93 0.00 0.92 3.86 -1.29 -3.51 115.15 115.08 1ddx h HIS 417 Ca -0.06 -0.61 0.00 0.00 -1.16 0.00 0.00 60.37 58.54 1ddx h HIS 417 Cb 0.86 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 29.26 1ddx h HIS 417 CO -0.25 1.45 0.00 0.41 0.86 0.00 0.00 177.93 180.40 1ddx n GLY 418 N 1.44 2.41 0.13 2.45 0.00 -0.10 -4.55 105.19 106.97 1ddx n GLY 418 Ca -0.13 -1.79 -0.08 0.00 0.00 0.00 0.00 46.02 44.02 1ddx n GLY 418 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ddx h LEU 419 N 0.00 0.15 -0.42 0.99 -0.00 -1.93 -2.46 115.31 111.64 1ddx h LEU 419 Ca 0.00 0.02 0.09 0.00 -0.00 0.00 0.00 57.88 57.99 1ddx h LEU 419 Cb 0.00 -0.00 -0.09 0.00 -0.00 0.00 0.00 40.66 40.57 1ddx h LEU 419 CO 0.00 0.12 -0.17 0.74 -0.00 0.00 0.00 178.44 179.13 1ddx h THR 420 N 0.25 0.46 0.76 0.22 2.02 -1.89 0.11 112.91 114.84 1ddx h THR 420 Ca 0.12 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.26 1ddx h THR 420 Cb 0.07 0.46 0.01 0.00 -1.74 0.00 0.00 68.15 66.95 1ddx h THR 420 CO -0.11 0.00 -0.37 1.56 0.37 0.00 0.00 175.52 176.97 1ddx h GLN 421 N -0.08 -0.99 -0.66 6.66 1.08 -1.77 -1.90 115.11 117.45 1ddx h GLN 421 Ca 0.21 0.07 0.12 0.00 -1.45 0.00 0.00 58.65 57.60 1ddx h GLN 421 Cb 0.40 0.22 -0.12 0.00 -0.05 0.00 0.00 27.48 27.93 1ddx h GLN 421 CO -0.48 -0.66 -0.19 1.19 -0.95 0.00 0.00 178.83 177.74 1ddx n PHE 422 N -4.80 0.18 0.00 2.96 3.01 -0.94 0.23 117.46 118.10 1ddx n PHE 422 Ca -0.13 0.81 0.00 0.00 1.01 0.00 0.00 57.45 59.14 1ddx n PHE 422 Cb 0.40 -0.85 0.00 0.00 -0.01 0.00 0.00 39.48 39.03 1ddx n PHE 422 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1ddx n VAL 423 N -5.05 0.00 -0.26 -4.37 0.31 0.33 -0.22 118.33 109.07 1ddx n VAL 423 Ca 0.10 1.18 -0.07 0.00 -0.01 0.00 0.00 64.34 65.54 1ddx n VAL 423 Cb 0.31 -2.05 -0.06 0.00 -0.91 0.00 0.00 33.84 31.13 1ddx n VAL 423 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1ddx n GLU 424 N -1.23 -0.27 -0.03 5.55 1.02 0.32 0.88 120.64 126.88 1ddx n GLU 424 Ca 0.00 1.10 -0.04 0.00 -0.02 0.00 0.00 57.16 58.21 1ddx n GLU 424 Cb 0.00 -1.63 -0.02 0.00 -0.02 0.00 0.00 31.44 29.77 1ddx n GLU 424 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 1ddx h SER 425 N 0.00 -0.46 -0.36 1.62 0.02 -0.20 0.15 113.55 114.32 1ddx h SER 425 Ca 0.10 0.06 0.10 0.00 -0.84 0.00 0.00 61.79 61.21 1ddx h SER 425 Cb 0.26 0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.97 1ddx h SER 425 CO -0.59 -0.11 0.34 -0.26 -1.14 0.00 0.00 176.83 175.08 1ddx h PHE 426 N -0.11 0.00 0.00 3.45 0.04 0.61 0.68 116.94 121.61 1ddx h PHE 426 Ca 0.02 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.79 1ddx h PHE 426 Cb 0.15 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.30 1ddx h PHE 426 CO -0.59 0.00 0.00 2.41 -0.60 0.00 0.00 178.31 179.53 1ddx n THR 427 N -3.91 1.38 0.00 -1.55 -1.04 0.25 -1.35 114.28 108.06 1ddx n THR 427 Ca 0.06 0.39 0.00 0.00 -2.04 0.00 0.00 64.05 62.46 1ddx n THR 427 Cb 0.51 -1.28 0.00 0.00 -1.82 0.00 0.00 70.33 67.74 1ddx n THR 427 CO 0.00 0.00 0.00 -2.11 -0.64 0.00 0.00 175.07 172.32 1ddx n ARG 428 N -1.65 0.00 -1.34 -2.82 1.85 0.19 -4.29 116.66 108.62 1ddx n ARG 428 Ca 0.02 0.00 -0.10 0.00 -1.00 0.00 0.00 57.85 56.77 1ddx n ARG 428 Cb 0.10 -0.79 -0.09 0.00 -1.05 0.00 0.00 32.46 30.63 1ddx n ARG 428 CO 0.00 0.00 0.00 0.94 -0.01 0.00 0.00 177.63 178.56 1ddx n GLN 429 N -2.62 0.10 -1.25 2.89 7.27 -0.96 -4.73 117.38 118.08 1ddx n GLN 429 Ca 0.00 -0.62 -0.40 0.00 0.07 0.00 0.00 57.00 56.06 1ddx n GLN 429 Cb 0.47 -2.23 0.00 0.00 2.41 0.00 0.00 30.24 30.89 1ddx n GLN 429 CO 0.00 0.00 0.00 1.51 0.07 0.00 0.00 177.06 178.64 1ddx n ILE 430 N 6.62 0.39 -4.11 1.69 0.13 -1.26 -2.52 119.36 120.30 1ddx n ILE 430 Ca 0.31 -0.49 -0.26 0.00 -1.10 0.00 0.00 62.75 61.21 1ddx n ILE 430 Cb 0.42 0.00 -0.06 0.00 -0.84 0.00 0.00 39.64 39.16 1ddx n ILE 430 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1ddx s ALA 431 N -1.76 3.48 0.33 1.51 0.00 0.33 -4.75 121.76 120.91 1ddx s ALA 431 Ca 0.57 -1.26 -0.29 0.00 0.00 0.00 0.00 51.96 50.99 1ddx s ALA 431 Cb -0.57 -1.28 -0.10 0.00 0.00 0.00 0.00 23.12 21.17 1ddx s ALA 431 CO 0.62 0.49 1.28 0.20 0.00 0.00 0.00 175.76 178.36 1ddx s GLY 432 N -3.09 3.00 0.99 0.00 0.00 0.52 -0.77 107.32 107.98 1ddx s GLY 432 Ca 0.30 1.22 -0.11 0.00 0.00 0.00 0.00 44.72 46.13 1ddx s GLY 432 CO 0.22 1.86 1.05 -2.13 0.00 0.00 0.00 173.10 174.10 1ddx n ARG 433 N 0.80 -1.01 0.00 2.90 0.63 0.44 -2.92 116.66 117.51 1ddx n ARG 433 Ca 0.00 -0.24 0.00 0.00 -0.92 0.00 0.00 57.85 56.69 1ddx n ARG 433 Cb 0.42 -2.28 0.00 0.00 0.45 0.00 0.00 32.46 31.05 1ddx n ARG 433 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 1ddx n VAL 434 N -4.42 0.00 0.05 5.15 0.31 -1.19 -4.32 118.33 113.92 1ddx n VAL 434 Ca 0.09 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.41 1ddx n VAL 434 Cb 0.53 -0.79 -0.07 0.00 -0.91 0.00 0.00 33.84 32.60 1ddx n VAL 434 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ddx h ALA 435 N 0.00 0.65 -0.82 3.52 0.00 -1.23 -3.40 119.26 117.97 1ddx h ALA 435 Ca 0.00 -0.81 0.13 0.00 0.00 0.00 0.00 54.91 54.23 1ddx h ALA 435 Cb 0.81 0.18 -0.14 0.00 0.00 0.00 0.00 17.79 18.64 1ddx h ALA 435 CO 0.00 0.93 -0.36 0.78 0.00 0.00 0.00 179.25 180.60 1ddx h GLY 436 N 3.59 0.03 0.00 0.00 0.00 -1.71 -3.15 103.07 101.82 1ddx h GLY 436 Ca -0.12 0.47 0.00 0.00 0.00 0.00 0.00 47.33 47.68 1ddx h GLY 436 CO 0.06 -0.21 0.00 0.61 0.00 0.00 0.00 176.54 177.00 1ddx n GLY 437 N -1.46 4.04 3.82 4.60 0.00 -1.05 -4.76 105.19 110.38 1ddx n GLY 437 Ca 0.08 -1.63 -0.18 0.00 0.00 0.00 0.00 46.02 44.29 1ddx n GLY 437 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ddx n ARG 438 N -1.64 -0.72 -1.42 1.61 1.74 0.18 -4.83 116.66 111.58 1ddx n ARG 438 Ca 0.00 -0.28 0.02 0.00 -0.77 0.00 0.00 57.85 56.83 1ddx n ARG 438 Cb 0.00 -0.37 0.08 0.00 -1.02 0.00 0.00 32.46 31.14 1ddx n ARG 438 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1ddx n ASN 439 N -0.27 1.51 -4.51 0.55 5.15 0.24 -3.37 115.26 114.56 1ddx n ASN 439 Ca -0.05 -2.66 -0.42 0.00 -0.60 0.00 0.00 54.58 50.85 1ddx n ASN 439 Cb 0.22 -0.39 -0.09 0.00 -0.53 0.00 0.00 39.78 38.98 1ddx n ASN 439 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1ddx s VAL 440 N -1.66 5.17 0.36 3.44 1.01 -0.19 -3.99 120.40 124.54 1ddx s VAL 440 Ca 0.35 -0.22 -0.23 0.00 0.00 0.00 0.00 61.98 61.89 1ddx s VAL 440 Cb 0.38 -3.89 -0.15 0.00 0.00 0.00 0.00 36.38 32.71 1ddx s VAL 440 CO -0.11 -0.22 0.26 -2.65 0.00 0.00 0.00 175.10 172.38 1ddx n PRO 441 N 5.38 0.10 0.12 2.72 -0.02 -1.26 -0.56 135.00 141.49 1ddx n PRO 441 Ca -0.09 0.04 -0.02 0.00 -2.02 0.00 0.00 63.50 61.40 1ddx n PRO 441 Cb 0.48 -1.08 0.10 0.00 -0.02 0.00 0.00 33.50 32.98 1ddx n PRO 441 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1ddx h ILE 442 N 0.56 1.43 -0.52 4.25 5.03 -1.97 -2.82 117.51 123.47 1ddx h ILE 442 Ca -0.35 -2.43 -0.01 0.00 -0.12 0.00 0.00 64.86 61.94 1ddx h ILE 442 Cb 1.44 2.34 -0.02 0.00 -3.03 0.00 0.00 36.82 37.54 1ddx h ILE 442 CO 0.50 0.68 0.28 0.00 -0.68 0.00 0.00 178.15 178.93 1ddx h ALA 443 N 1.31 0.67 0.00 1.87 0.00 -1.99 0.09 119.26 121.20 1ddx h ALA 443 Ca -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1ddx h ALA 443 Cb 1.28 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1ddx h ALA 443 CO 0.09 0.20 0.00 0.28 0.00 0.00 0.00 179.25 179.82 1ddx n VAL 444 N -4.63 0.37 0.00 0.00 0.31 -1.08 -4.21 118.33 109.08 1ddx n VAL 444 Ca 0.02 0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.45 1ddx n VAL 444 Cb 0.09 -0.89 0.00 0.00 -0.91 0.00 0.00 33.84 32.13 1ddx n VAL 444 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1ddx n GLN 445 N -1.16 0.00 -0.35 5.55 7.27 0.02 -1.48 117.38 127.24 1ddx n GLN 445 Ca 0.08 0.56 -0.07 0.00 0.07 0.00 0.00 57.00 57.63 1ddx n GLN 445 Cb 0.07 -0.91 -0.05 0.00 2.41 0.00 0.00 30.24 31.76 1ddx n GLN 445 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1ddx n ALA 446 N -1.98 -0.43 -0.52 1.69 0.00 -1.26 -2.15 120.51 115.86 1ddx n ALA 446 Ca 0.00 0.75 0.00 0.00 0.00 0.00 0.00 53.44 54.19 1ddx n ALA 446 Cb 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 19.45 19.26 1ddx n ALA 446 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ddx n VAL 447 N -5.11 0.00 -0.52 0.00 0.31 -0.55 -1.60 118.33 110.86 1ddx n VAL 447 Ca 0.03 1.24 0.43 0.00 -0.01 0.00 0.00 64.34 66.03 1ddx n VAL 447 Cb 0.25 -1.93 0.71 0.00 -0.91 0.00 0.00 33.84 31.96 1ddx n VAL 447 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ddx h ALA 448 N -1.70 3.08 0.38 3.52 0.00 -1.12 1.07 119.26 124.49 1ddx h ALA 448 Ca 0.00 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1ddx h ALA 448 Cb 0.00 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1ddx h ALA 448 CO 0.00 -1.71 -0.18 -0.22 0.00 0.00 0.00 179.25 177.13 1ddx h LYS 449 N 0.03 -0.49 -0.35 0.00 3.64 -0.85 -2.86 116.57 115.69 1ddx h LYS 449 Ca 0.87 0.03 0.04 0.00 -1.27 0.00 0.00 60.65 60.33 1ddx h LYS 449 Cb 2.99 0.11 -0.07 0.00 -0.41 0.00 0.00 32.23 34.85 1ddx h LYS 449 CO -0.33 -0.20 -0.50 0.00 -2.27 0.00 0.00 179.45 176.14 1ddx h ALA 450 N -0.22 -0.75 -1.13 5.00 0.00 0.21 0.70 119.26 123.07 1ddx h ALA 450 Ca -0.05 -0.01 0.37 0.00 0.00 0.00 0.00 54.91 55.22 1ddx h ALA 450 Cb 0.51 1.08 -0.09 0.00 0.00 0.00 0.00 17.79 19.29 1ddx h ALA 450 CO 0.08 -0.99 0.76 0.43 0.00 0.00 0.00 179.25 179.54 1ddx n SER 451 N -5.12 0.10 -0.08 0.00 7.64 -0.18 0.12 113.62 116.11 1ddx n SER 451 Ca -0.03 0.91 -0.10 0.00 1.01 0.00 0.00 58.87 60.65 1ddx n SER 451 Cb 0.31 -0.45 -0.06 0.00 -1.01 0.00 0.00 64.21 63.00 1ddx n SER 451 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1ddx h ILE 452 N 0.00 0.61 -0.70 0.44 2.04 0.48 -3.30 117.51 117.08 1ddx h ILE 452 Ca 0.65 -1.60 0.11 0.00 1.00 0.00 0.00 64.86 65.02 1ddx h ILE 452 Cb 2.25 1.29 -0.12 0.00 -0.74 0.00 0.00 36.82 39.50 1ddx h ILE 452 CO -0.23 0.21 -0.41 0.44 0.00 0.00 0.00 178.15 178.16 1ddx h ASP 453 N -1.00 -1.44 0.00 1.72 3.45 0.37 -2.73 116.42 116.79 1ddx h ASP 453 Ca -0.10 0.26 0.00 0.00 0.43 0.00 0.00 57.03 57.62 1ddx h ASP 453 Cb 0.72 0.69 0.00 0.00 -0.56 0.00 0.00 39.33 40.18 1ddx h ASP 453 CO -0.06 -0.31 0.00 0.00 -1.57 0.00 0.00 179.24 177.30 1ddx n GLN 454 N -5.42 0.00 -0.50 3.56 6.02 0.92 -1.25 117.38 120.71 1ddx n GLN 454 Ca 0.04 0.69 0.40 0.00 -0.01 0.00 0.00 57.00 58.12 1ddx n GLN 454 Cb 0.36 -1.35 0.65 0.00 1.02 0.00 0.00 30.24 30.92 1ddx n GLN 454 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1ddx n SER 455 N -2.12 0.12 -0.03 1.08 3.41 -1.13 0.28 113.62 115.23 1ddx n SER 455 Ca 0.00 1.11 -0.13 0.00 -0.26 0.00 0.00 58.87 59.59 1ddx n SER 455 Cb 0.00 -0.55 -0.08 0.00 -0.26 0.00 0.00 64.21 63.32 1ddx n SER 455 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1ddx h ARG 456 N 0.00 0.14 0.06 4.33 3.08 -0.87 0.34 114.38 121.47 1ddx h ARG 456 Ca 0.80 -0.06 0.02 0.00 0.07 0.00 0.00 59.98 60.81 1ddx h ARG 456 Cb 2.82 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 32.84 1ddx h ARG 456 CO -0.27 0.50 -0.16 0.93 -1.07 0.00 0.00 179.97 179.91 1ddx h GLU 457 N -0.22 -0.28 -1.09 0.04 5.08 0.49 0.11 114.58 118.71 1ddx h GLU 457 Ca 0.02 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1ddx h GLU 457 Cb 0.46 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1ddx h GLU 457 CO 0.01 -0.19 0.00 -1.33 -1.00 0.00 0.00 179.01 176.50 1ddx n MET 458 N -5.29 0.39 -3.22 2.33 2.81 0.06 -4.77 117.12 109.43 1ddx n MET 458 Ca -0.06 0.00 -0.19 0.00 -1.81 0.00 0.00 57.70 55.64 1ddx n MET 458 Cb 0.20 -1.26 -0.05 0.00 -0.71 0.00 0.00 33.22 31.41 1ddx n MET 458 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1ddx n LYS 459 N 0.59 -0.90 -0.78 0.03 4.76 0.39 -4.74 118.16 117.51 1ddx n LYS 459 Ca 0.00 0.06 -0.33 0.00 -2.87 0.00 0.00 58.31 55.17 1ddx n LYS 459 Cb 0.15 -2.17 0.13 0.00 -1.84 0.00 0.00 35.03 31.30 1ddx n LYS 459 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1ddx n TYR 460 N -2.54 -1.75 -2.69 2.13 4.02 0.12 -2.88 117.16 113.56 1ddx n TYR 460 Ca -0.04 0.20 -0.19 0.00 -0.01 0.00 0.00 57.90 57.86 1ddx n TYR 460 Cb 0.29 -1.65 0.09 0.00 -0.02 0.00 0.00 39.34 38.04 1ddx n TYR 460 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 1ddx n GLN 461 N -1.28 0.17 -2.18 -0.72 6.02 -1.26 -4.79 117.38 113.33 1ddx n GLN 461 Ca 0.03 -2.43 -0.35 0.00 -0.01 0.00 0.00 57.00 54.24 1ddx n GLN 461 Cb 0.58 -0.47 0.01 0.00 1.02 0.00 0.00 30.24 31.38 1ddx n GLN 461 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1ddx s SER 462 N -4.39 5.56 0.47 1.08 0.15 -1.26 -4.50 113.70 110.81 1ddx s SER 462 Ca 0.56 2.24 0.20 0.00 0.70 0.00 0.00 55.95 59.65 1ddx s SER 462 Cb -0.03 -2.59 1.18 0.00 -1.71 0.00 0.00 66.02 62.87 1ddx s SER 462 CO 0.37 -1.33 2.01 0.25 1.20 0.00 0.00 173.24 175.73 1ddx h LEU 463 N 1.09 0.00 -0.58 3.45 5.85 -1.37 0.28 115.31 124.03 1ddx h LEU 463 Ca -0.50 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.07 1ddx h LEU 463 Cb 1.27 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.28 1ddx h LEU 463 CO 0.56 0.18 -0.69 0.78 -0.34 0.00 0.00 178.44 178.93 1ddx h ASN 464 N 0.00 0.00 0.65 1.25 -0.26 -1.79 -0.76 115.58 114.66 1ddx h ASN 464 Ca -0.00 0.00 -0.03 0.00 -0.56 0.00 0.00 56.30 55.71 1ddx h ASN 464 Cb 0.37 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 37.64 1ddx h ASN 464 CO 0.02 0.69 -0.31 -0.33 -1.06 0.00 0.00 177.43 176.44 1ddx h GLU 465 N 0.00 -0.84 0.00 0.81 4.39 -1.34 0.25 114.58 117.85 1ddx h GLU 465 Ca -0.01 0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.75 1ddx h GLU 465 Cb 1.24 0.19 0.00 0.00 -0.10 0.00 0.00 28.75 30.08 1ddx h GLU 465 CO 0.09 -0.56 0.16 1.88 -1.16 0.00 0.00 179.01 179.42 1ddx h TYR 466 N -1.14 0.00 0.04 4.33 0.05 -1.20 0.53 116.97 119.58 1ddx h TYR 466 Ca -0.09 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.69 1ddx h TYR 466 Cb 0.67 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.41 1ddx h TYR 466 CO 0.02 0.00 -0.02 0.00 -1.05 0.00 0.00 178.16 177.11 1ddx h ARG 467 N 0.00 -0.05 -0.62 4.88 3.08 -0.79 -3.17 114.38 117.71 1ddx h ARG 467 Ca 0.00 0.00 0.12 0.00 0.07 0.00 0.00 59.98 60.18 1ddx h ARG 467 Cb 0.32 0.01 -0.09 0.00 0.08 0.00 0.00 29.97 30.29 1ddx h ARG 467 CO 0.00 0.27 0.10 0.87 -1.07 0.00 0.00 179.97 180.14 1ddx h LYS 468 N -1.00 0.21 -0.71 0.04 1.57 0.12 -0.20 116.57 116.61 1ddx h LYS 468 Ca -0.01 -0.01 0.08 0.00 -1.87 0.00 0.00 60.65 58.84 1ddx h LYS 468 Cb 0.34 -0.05 -0.11 0.00 0.08 0.00 0.00 32.23 32.50 1ddx h LYS 468 CO 0.01 0.14 -0.54 -0.09 -0.57 0.00 0.00 179.45 178.39 1ddx h ARG 469 N 0.22 -0.18 -1.58 3.15 1.12 -0.12 0.49 114.38 117.48 1ddx h ARG 469 Ca 0.33 0.01 -0.17 0.00 -1.11 0.00 0.00 59.98 59.04 1ddx h ARG 469 Cb 0.51 0.04 -0.08 0.00 -0.01 0.00 0.00 29.97 30.43 1ddx h ARG 469 CO -0.45 -0.12 0.22 1.19 -3.11 0.00 0.00 179.97 177.70 1ddx n PHE 470 N -5.33 0.84 -3.92 2.20 0.99 -0.73 -4.80 117.46 106.70 1ddx n PHE 470 Ca 0.00 -1.39 -0.30 0.00 -0.00 0.00 0.00 57.45 55.77 1ddx n PHE 470 Cb 0.31 -0.68 -0.01 0.00 -1.00 0.00 0.00 39.48 38.10 1ddx n PHE 470 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.76 175.63 1ddx n SER 471 N 0.70 -1.94 -4.29 4.37 3.41 0.17 -4.98 113.62 111.06 1ddx n SER 471 Ca 0.16 -1.06 -0.32 0.00 -0.26 0.00 0.00 58.87 57.39 1ddx n SER 471 Cb 0.60 -2.89 -0.16 0.00 -0.26 0.00 0.00 64.21 61.50 1ddx n SER 471 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1ddx s LEU 472 N -6.92 2.28 0.21 1.04 1.43 -0.16 -4.99 118.68 111.57 1ddx s LEU 472 Ca 0.18 -0.47 -0.31 0.00 -1.03 0.00 0.00 54.13 52.50 1ddx s LEU 472 Cb -0.07 -1.46 -0.11 0.00 0.03 0.00 0.00 46.19 44.58 1ddx s LEU 472 CO 0.90 0.20 1.61 -0.54 0.23 0.00 0.00 176.35 178.75 1ddx s LYS 473 N 0.13 4.17 0.69 1.70 -0.14 -1.26 -3.13 119.74 121.90 1ddx s LYS 473 Ca -0.11 2.48 -0.14 0.00 -1.36 0.00 0.00 55.97 56.84 1ddx s LYS 473 Cb -0.16 -3.10 0.01 0.00 -1.68 0.00 0.00 37.83 32.91 1ddx s LYS 473 CO 0.06 -0.64 1.11 -1.25 -0.76 0.00 0.00 175.35 173.87 1ddx s PRO 474 N 0.66 2.65 -0.18 -1.68 0.04 -1.26 -4.89 135.00 130.34 1ddx s PRO 474 Ca 0.69 1.34 -0.29 0.00 0.04 0.00 0.00 61.00 62.78 1ddx s PRO 474 Cb -0.46 -1.93 -0.01 0.00 0.04 0.00 0.00 34.50 32.14 1ddx s PRO 474 CO 0.36 -1.36 1.15 0.71 0.04 0.00 0.00 177.00 177.89 1ddx s TYR 475 N -2.47 3.13 -0.57 0.56 4.12 -1.26 -4.92 117.35 115.94 1ddx s TYR 475 Ca 0.66 1.26 0.25 0.00 0.02 0.00 0.00 57.07 59.26 1ddx s TYR 475 Cb -0.20 -3.38 0.71 0.00 -1.52 0.00 0.00 41.96 37.57 1ddx s TYR 475 CO 0.45 -1.06 1.73 1.79 0.02 0.00 0.00 175.55 178.48 1ddx h THR 476 N 5.40 0.00 -2.29 -0.71 1.35 -1.97 -3.43 112.91 111.25 1ddx h THR 476 Ca -0.25 -0.62 -0.07 0.00 -0.55 0.00 0.00 66.41 64.92 1ddx h THR 476 Cb 1.10 1.60 -0.20 0.00 -1.73 0.00 0.00 68.15 68.91 1ddx h THR 476 CO 0.96 0.00 0.04 -0.94 -0.25 0.00 0.00 175.52 175.32 1ddx s SER 477 N -5.09 -0.56 0.52 5.36 1.04 -1.26 -4.87 113.70 108.84 1ddx s SER 477 Ca 0.08 0.74 0.19 0.00 0.48 0.00 0.00 55.95 57.44 1ddx s SER 477 Cb 0.10 0.70 1.32 0.00 0.10 0.00 0.00 66.02 68.23 1ddx s SER 477 CO 0.60 -0.46 2.12 -0.26 0.98 0.00 0.00 173.24 176.21 1ddx h PHE 478 N 3.82 0.00 0.00 5.02 -1.00 -1.90 0.24 116.94 123.13 1ddx h PHE 478 Ca -0.28 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.45 1ddx h PHE 478 Cb 1.16 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.71 1ddx h PHE 478 CO 0.41 0.00 -0.27 1.49 -1.61 0.00 0.00 178.31 178.34 1ddx h GLU 479 N 0.00 0.00 -0.13 1.51 4.81 -1.88 -1.63 114.58 117.26 1ddx h GLU 479 Ca 0.06 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.13 1ddx h GLU 479 Cb 0.24 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.63 1ddx h GLU 479 CO -0.00 0.27 -0.55 1.49 -0.73 0.00 0.00 179.01 179.49 1ddx h GLU 480 N 0.00 0.59 0.00 1.92 4.81 -0.86 1.45 114.58 122.49 1ddx h GLU 480 Ca -0.00 -0.47 -0.03 0.00 -0.13 0.00 0.00 59.36 58.73 1ddx h GLU 480 Cb 0.48 0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.95 1ddx h GLU 480 CO 0.03 1.09 -0.16 1.25 -0.73 0.00 0.00 179.01 180.50 1ddx h LEU 481 N 0.23 0.00 0.00 1.64 5.85 -0.93 -3.29 115.31 118.81 1ddx h LEU 481 Ca -0.03 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.51 1ddx h LEU 481 Cb 1.18 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.18 1ddx h LEU 481 CO 0.11 0.16 -1.65 0.35 -0.34 0.00 0.00 178.44 177.07 1ddx n THR 482 N -4.08 0.65 0.00 1.05 -2.24 -0.66 0.14 114.28 109.14 1ddx n THR 482 Ca -0.02 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 1ddx n THR 482 Cb 0.24 -0.77 0.00 0.00 -2.10 0.00 0.00 70.33 67.70 1ddx n THR 482 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ddx n GLY 483 N 2.48 2.08 3.71 3.38 0.00 0.50 -4.37 105.19 112.97 1ddx n GLY 483 Ca -0.16 -0.31 -0.32 0.00 0.00 0.00 0.00 46.02 45.22 1ddx n GLY 483 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ddx s GLU 484 N 0.00 1.62 -0.03 1.61 4.04 -1.26 -4.84 118.70 119.85 1ddx s GLU 484 Ca 0.00 1.53 0.20 0.00 0.04 0.00 0.00 54.97 56.75 1ddx s GLU 484 Cb 0.00 -1.80 -0.25 0.00 0.02 0.00 0.00 34.13 32.11 1ddx s GLU 484 CO 0.00 -2.18 0.51 1.63 -1.84 0.00 0.00 175.26 173.38 1ddx n LYS 485 N -3.62 0.65 0.00 -4.83 5.02 -1.26 -4.34 118.16 109.79 1ddx n LYS 485 Ca 0.12 -0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 1ddx n LYS 485 Cb 0.52 -1.60 0.00 0.00 -0.02 0.00 0.00 35.03 33.92 1ddx n LYS 485 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1ddx n GLU 486 N -2.52 0.00 -0.37 1.97 0.00 -1.26 -1.12 120.64 117.34 1ddx n GLU 486 Ca -0.11 0.00 0.02 0.00 0.00 0.00 0.00 57.16 57.07 1ddx n GLU 486 Cb 0.75 -0.41 0.08 0.00 0.00 0.00 0.00 31.44 31.86 1ddx n GLU 486 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1ddx n MET 487 N 0.00 -0.17 -0.13 5.31 2.81 -1.26 -0.96 117.12 122.72 1ddx n MET 487 Ca 0.00 1.54 -0.03 0.00 -1.81 0.00 0.00 57.70 57.40 1ddx n MET 487 Cb 0.00 -2.29 -0.03 0.00 -0.71 0.00 0.00 33.22 30.19 1ddx n MET 487 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1ddx n ALA 488 N -3.54 -0.19 -0.21 3.04 0.00 -1.23 0.15 120.51 118.52 1ddx n ALA 488 Ca 0.13 0.26 0.02 0.00 0.00 0.00 0.00 53.44 53.84 1ddx n ALA 488 Cb 0.44 0.30 0.12 0.00 0.00 0.00 0.00 19.45 20.32 1ddx n ALA 488 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ddx h ALA 489 N -0.53 0.75 -0.93 0.00 0.00 0.55 0.32 119.26 119.42 1ddx h ALA 489 Ca 0.05 0.15 0.09 0.00 0.00 0.00 0.00 54.91 55.19 1ddx h ALA 489 Cb 0.12 0.21 -0.07 0.00 0.00 0.00 0.00 17.79 18.06 1ddx h ALA 489 CO -0.28 -0.33 0.60 1.49 0.00 0.00 0.00 179.25 180.73 1ddx h GLU 490 N 0.24 0.96 0.02 0.00 4.57 0.11 -1.85 114.58 118.63 1ddx h GLU 490 Ca 0.34 -0.06 -0.00 0.00 -1.18 0.00 0.00 59.36 58.46 1ddx h GLU 490 Cb 0.53 -0.22 0.00 0.00 -0.16 0.00 0.00 28.75 28.90 1ddx h GLU 490 CO -0.45 0.63 -0.01 -0.07 -1.18 0.00 0.00 179.01 177.94 1ddx h LEU 491 N 0.99 -0.02 -1.70 1.64 3.38 0.41 -3.07 115.31 116.93 1ddx h LEU 491 Ca 0.42 -0.64 0.21 0.00 0.09 0.00 0.00 57.88 57.95 1ddx h LEU 491 Cb 0.32 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 1ddx h LEU 491 CO -0.18 0.65 0.74 0.50 0.09 0.00 0.00 178.44 180.24 1ddx h LYS 492 N -0.72 0.00 0.17 1.13 1.63 -0.15 2.23 116.57 120.86 1ddx h LYS 492 Ca -0.00 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.79 1ddx h LYS 492 Cb 0.67 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.30 1ddx h LYS 492 CO 0.00 0.00 -0.08 0.00 -3.45 0.00 0.00 179.45 175.92 1ddx h ALA 493 N 1.18 -0.23 -0.22 5.00 0.00 -1.25 -2.25 119.26 121.50 1ddx h ALA 493 Ca 0.34 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 1ddx h ALA 493 Cb 1.82 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.70 1ddx h ALA 493 CO -0.00 -0.47 -0.24 -0.07 0.00 0.00 0.00 179.25 178.47 1ddx h LEU 494 N -0.55 0.58 0.00 0.00 3.38 0.35 -3.37 115.31 115.70 1ddx h LEU 494 Ca -0.02 -0.49 -0.19 0.00 0.09 0.00 0.00 57.88 57.28 1ddx h LEU 494 Cb 0.42 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 1ddx h LEU 494 CO 0.04 0.95 -2.07 -1.22 0.09 0.00 0.00 178.44 176.23 1ddx n TYR 495 N -4.39 0.16 0.00 1.13 4.02 0.55 -4.48 117.16 114.15 1ddx n TYR 495 Ca -0.05 0.05 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 1ddx n TYR 495 Cb 0.43 -0.81 0.00 0.00 -0.02 0.00 0.00 39.34 38.94 1ddx n TYR 495 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1ddx n SER 496 N -2.57 0.00 -4.65 7.72 7.64 -0.85 -4.75 113.62 116.17 1ddx n SER 496 Ca -0.17 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.28 1ddx n SER 496 Cb 0.87 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 64.04 1ddx n SER 496 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1ddx s ASP 497 N -4.00 6.97 0.28 6.43 3.68 -1.26 -4.90 116.67 123.87 1ddx s ASP 497 Ca 0.00 1.17 -0.02 0.00 2.13 0.00 0.00 52.55 55.83 1ddx s ASP 497 Cb 0.00 -2.51 0.61 0.00 -1.45 0.00 0.00 42.92 39.57 1ddx s ASP 497 CO 0.00 -0.70 1.62 -0.29 0.13 0.00 0.00 175.17 175.93 1ddx h ILE 498 N 5.54 0.24 -0.41 4.11 6.09 -1.89 0.85 117.51 132.02 1ddx h ILE 498 Ca -0.21 -0.04 0.05 0.00 -1.37 0.00 0.00 64.86 63.30 1ddx h ILE 498 Cb 1.07 0.12 -0.08 0.00 0.47 0.00 0.00 36.82 38.39 1ddx h ILE 498 CO 0.97 0.02 -0.56 0.44 -3.07 0.00 0.00 178.15 175.95 1ddx h ASP 499 N 0.11 -1.86 0.00 2.19 3.32 -1.91 0.28 116.42 118.55 1ddx h ASP 499 Ca 0.51 0.24 0.00 0.00 0.02 0.00 0.00 57.03 57.81 1ddx h ASP 499 Cb 0.99 0.76 0.00 0.00 0.22 0.00 0.00 39.33 41.31 1ddx h ASP 499 CO -0.74 -0.40 0.00 0.52 -1.72 0.00 0.00 179.24 176.90 1ddx n VAL 500 N -5.38 0.00 -2.25 -1.35 0.31 0.29 -4.21 118.33 105.75 1ddx n VAL 500 Ca -0.03 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.88 1ddx n VAL 500 Cb 0.34 -0.64 -0.03 0.00 -0.91 0.00 0.00 33.84 32.61 1ddx n VAL 500 CO 0.00 0.00 0.00 -0.32 -1.32 0.00 0.00 176.83 175.19 1ddx s MET 501 N -1.68 4.36 0.38 5.55 0.00 1.00 -4.93 119.30 123.97 1ddx s MET 501 Ca 0.00 1.99 -0.24 0.00 0.00 0.00 0.00 55.69 57.43 1ddx s MET 501 Cb 0.00 -3.27 -0.09 0.00 0.00 0.00 0.00 34.83 31.47 1ddx s MET 501 CO 0.00 -0.37 1.01 -1.21 0.00 0.00 0.00 175.02 174.45 1ddx s GLU 502 N 0.97 4.31 0.00 4.11 2.02 -1.26 -1.31 118.70 127.54 1ddx s GLU 502 Ca 0.62 1.42 0.00 0.00 0.02 0.00 0.00 54.97 57.03 1ddx s GLU 502 Cb -0.35 -2.59 0.00 0.00 0.10 0.00 0.00 34.13 31.29 1ddx s GLU 502 CO 0.31 0.00 0.79 -0.11 0.02 0.00 0.00 175.26 176.27 1ddx n LEU 503 N 0.08 0.04 -0.29 1.80 7.94 -1.26 -1.84 117.00 123.46 1ddx n LEU 503 Ca 0.04 0.80 -0.03 0.00 -1.11 0.00 0.00 56.01 55.72 1ddx n LEU 503 Cb 0.50 -0.32 0.01 0.00 0.53 0.00 0.00 43.42 44.14 1ddx n LEU 503 CO 0.44 -0.32 0.41 0.00 -1.11 0.00 0.00 177.39 176.82 1ddx n TYR 504 N -1.45 -0.06 0.10 1.96 9.36 -1.26 -0.33 117.16 125.48 1ddx n TYR 504 Ca 0.00 0.91 -0.05 0.00 3.32 0.00 0.00 57.90 62.08 1ddx n TYR 504 Cb 0.00 -0.72 -0.03 0.00 -0.63 0.00 0.00 39.34 37.96 1ddx n TYR 504 CO 0.00 0.00 0.00 -1.35 0.22 0.00 0.00 176.86 175.73 1ddx h PRO 505 N 0.00 -0.30 -1.40 2.98 0.11 -1.95 -1.57 132.00 129.87 1ddx h PRO 505 Ca 0.22 0.02 0.41 0.00 0.11 0.00 0.00 66.00 66.76 1ddx h PRO 505 Cb 0.41 0.07 -0.06 0.00 0.11 0.00 0.00 31.00 31.53 1ddx h PRO 505 CO -0.72 -0.20 1.29 0.00 -0.21 0.00 0.00 178.00 178.16 1ddx n ALA 506 N -2.38 1.34 -0.03 -0.75 0.00 0.36 0.18 120.51 119.23 1ddx n ALA 506 Ca -0.04 0.46 -0.14 0.00 0.00 0.00 0.00 53.44 53.73 1ddx n ALA 506 Cb 0.14 -0.80 -0.10 0.00 0.00 0.00 0.00 19.45 18.69 1ddx n ALA 506 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1ddx h LEU 507 N 0.00 0.14 -0.91 0.00 3.38 0.35 0.56 115.31 118.84 1ddx h LEU 507 Ca 0.66 -0.62 -0.11 0.00 0.09 0.00 0.00 57.88 57.91 1ddx h LEU 507 Cb 3.25 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 43.94 1ddx h LEU 507 CO -0.01 0.74 -0.50 -0.07 0.09 0.00 0.00 178.44 178.69 1ddx h LEU 508 N -0.44 0.00 0.00 1.67 3.38 -0.06 -2.89 115.31 116.96 1ddx h LEU 508 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ddx h LEU 508 Cb 0.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1ddx h LEU 508 CO 0.02 0.50 -1.22 0.52 0.09 0.00 0.00 178.44 178.35 1ddx n VAL 509 N -3.77 0.48 -0.80 1.22 0.31 -0.74 -2.54 118.33 112.49 1ddx n VAL 509 Ca -0.01 -0.53 -0.29 0.00 -0.01 0.00 0.00 64.34 63.50 1ddx n VAL 509 Cb 0.55 -0.26 0.03 0.00 -0.91 0.00 0.00 33.84 33.25 1ddx n VAL 509 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1ddx n GLU 510 N -2.57 0.00 -2.98 5.55 2.13 0.20 -4.50 120.64 118.46 1ddx n GLU 510 Ca -0.01 0.00 -0.44 0.00 0.66 0.00 0.00 57.16 57.37 1ddx n GLU 510 Cb 0.55 -0.80 -0.03 0.00 0.27 0.00 0.00 31.44 31.43 1ddx n GLU 510 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1ddx s LYS 511 N -1.60 3.38 0.59 5.31 2.20 0.37 -4.10 119.74 125.90 1ddx s LYS 511 Ca 0.32 -1.52 -0.12 0.00 -0.36 0.00 0.00 55.97 54.29 1ddx s LYS 511 Cb -0.15 -4.59 -0.10 0.00 -1.51 0.00 0.00 37.83 31.48 1ddx s LYS 511 CO 0.66 -1.70 -0.43 -2.30 -0.36 0.00 0.00 175.35 171.23 1ddx n PRO 512 N 6.56 0.00 -2.76 4.03 -0.02 -1.26 -4.68 135.00 136.87 1ddx n PRO 512 Ca 0.10 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.28 1ddx n PRO 512 Cb 0.47 -0.69 -0.03 0.00 -0.02 0.00 0.00 33.50 33.23 1ddx n PRO 512 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1ddx s ARG 513 N -1.19 3.78 -0.38 -0.52 3.00 -1.06 -4.83 118.95 117.75 1ddx s ARG 513 Ca 0.31 0.52 -0.03 0.00 0.00 0.00 0.00 55.73 56.52 1ddx s ARG 513 Cb -0.18 -2.35 -0.13 0.00 0.00 0.00 0.00 34.95 32.29 1ddx s ARG 513 CO 0.54 -0.09 1.27 -2.30 0.00 0.00 0.00 175.30 174.72 1ddx n PRO 514 N -1.43 0.00 -0.94 3.54 -0.02 -1.26 0.16 135.00 135.06 1ddx n PRO 514 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.51 1ddx n PRO 514 Cb 0.54 -0.84 0.00 0.00 -0.02 0.00 0.00 33.50 33.18 1ddx n PRO 514 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1ddx n ASP 515 N 4.15 -1.08 -4.65 2.55 8.00 -1.26 -5.03 116.55 119.23 1ddx n ASP 515 Ca 0.26 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.47 1ddx n ASP 515 Cb 0.28 -0.18 0.14 0.00 -0.02 0.00 0.00 41.12 41.34 1ddx n ASP 515 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ddx s ALA 516 N -3.15 1.89 -0.19 2.24 0.00 0.44 -3.47 121.76 119.52 1ddx s ALA 516 Ca 0.00 -0.66 0.22 0.00 0.00 0.00 0.00 51.96 51.51 1ddx s ALA 516 Cb 0.00 -2.98 -0.32 0.00 0.00 0.00 0.00 23.12 19.82 1ddx s ALA 516 CO 0.00 -2.30 0.55 1.51 0.00 0.00 0.00 175.76 175.52 1ddx n ILE 517 N -3.76 0.00 -4.43 0.00 3.06 -1.26 -4.48 119.36 108.49 1ddx n ILE 517 Ca 0.08 -0.42 -0.22 0.00 -2.50 0.00 0.00 62.75 59.70 1ddx n ILE 517 Cb 0.60 0.17 -0.10 0.00 0.54 0.00 0.00 39.64 40.84 1ddx n ILE 517 CO 0.00 0.00 0.00 -0.36 -2.50 0.00 0.00 176.55 173.69 1ddx s PHE 518 N -3.43 2.07 0.00 9.51 0.08 -1.26 -1.04 117.98 123.91 1ddx s PHE 518 Ca -0.05 -0.45 0.00 0.00 0.12 0.00 0.00 56.93 56.55 1ddx s PHE 518 Cb 0.14 -0.95 0.00 0.00 -0.57 0.00 0.00 43.02 41.64 1ddx s PHE 518 CO 0.90 0.55 0.00 0.41 -0.10 0.00 0.00 175.22 176.98 1ddx n GLY 519 N -0.54 -0.05 0.08 4.36 0.00 -1.26 -2.57 105.19 105.20 1ddx n GLY 519 Ca -0.06 -1.77 -0.15 0.00 0.00 0.00 0.00 46.02 44.03 1ddx n GLY 519 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1ddx h GLU 520 N 0.00 0.04 -0.44 1.61 4.81 -1.93 -3.26 114.58 115.41 1ddx h GLU 520 Ca 0.00 -0.07 0.04 0.00 -0.13 0.00 0.00 59.36 59.20 1ddx h GLU 520 Cb 0.00 0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.35 1ddx h GLU 520 CO 0.00 1.04 -0.34 1.15 -0.73 0.00 0.00 179.01 180.13 1ddx h THR 521 N -0.91 0.00 -0.98 0.32 2.02 -1.97 0.15 112.91 111.55 1ddx h THR 521 Ca -0.05 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.28 1ddx h THR 521 Cb 1.12 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 67.44 1ddx h THR 521 CO 0.01 0.00 0.62 -0.03 0.37 0.00 0.00 175.52 176.48 1ddx h MET 522 N -0.10 0.84 0.47 6.66 1.85 -1.92 -2.34 114.93 120.40 1ddx h MET 522 Ca 0.07 -0.05 -0.02 0.00 -0.61 0.00 0.00 59.70 59.09 1ddx h MET 522 Cb 0.29 -0.19 0.00 0.00 0.43 0.00 0.00 31.60 32.13 1ddx h MET 522 CO -0.47 0.56 -0.23 0.28 -0.40 0.00 0.00 176.91 176.65 1ddx h VAL 523 N 0.87 0.42 0.00 -5.77 2.07 -1.14 -2.51 116.25 110.19 1ddx h VAL 523 Ca 0.50 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.59 1ddx h VAL 523 Cb 0.64 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 1ddx h VAL 523 CO -0.28 0.06 0.00 -0.62 0.02 0.00 0.00 177.57 176.76 1ddx n GLU 524 N -5.25 0.06 -0.11 1.57 -0.58 0.37 -0.92 120.64 115.78 1ddx n GLU 524 Ca -0.11 0.13 -0.22 0.00 -0.42 0.00 0.00 57.16 56.54 1ddx n GLU 524 Cb 0.31 -1.50 -0.07 0.00 -0.57 0.00 0.00 31.44 29.60 1ddx n GLU 524 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1ddx n LEU 525 N -1.15 1.58 0.27 -4.62 4.77 -0.92 -4.53 117.00 112.41 1ddx n LEU 525 Ca 0.02 0.27 0.17 0.00 -0.03 0.00 0.00 56.01 56.44 1ddx n LEU 525 Cb 0.02 -0.65 0.60 0.00 -2.33 0.00 0.00 43.42 41.06 1ddx n LEU 525 CO 0.02 0.38 0.97 1.23 -1.33 0.00 0.00 177.39 178.66 1ddx h GLY 526 N -0.80 0.00 0.93 -0.72 0.00 -1.21 -2.95 103.07 98.33 1ddx h GLY 526 Ca -0.51 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.80 1ddx h GLY 526 CO -0.31 0.00 -0.26 0.00 0.00 0.00 0.00 176.54 175.97 1ddx h ALA 527 N 2.00 -0.67 0.19 3.60 0.00 -1.26 0.17 119.26 123.28 1ddx h ALA 527 Ca 0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1ddx h ALA 527 Cb 0.59 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1ddx h ALA 527 CO 0.00 -0.89 -0.09 -1.35 0.00 0.00 0.00 179.25 176.92 1ddx h PRO 528 N -0.68 -0.24 -0.61 0.00 0.11 -1.79 -1.95 132.00 126.84 1ddx h PRO 528 Ca -0.06 0.02 0.16 0.00 0.11 0.00 0.00 66.00 66.23 1ddx h PRO 528 Cb 0.54 0.06 -0.11 0.00 0.11 0.00 0.00 31.00 31.59 1ddx h PRO 528 CO 0.07 -0.16 -0.02 1.19 -0.21 0.00 0.00 178.00 178.87 1ddx n PHE 529 N -2.87 0.36 0.12 0.65 0.99 -1.12 -1.59 117.46 113.99 1ddx n PHE 529 Ca -0.03 0.74 -0.05 0.00 -0.00 0.00 0.00 57.45 58.11 1ddx n PHE 529 Cb 0.10 -0.94 -0.02 0.00 -1.00 0.00 0.00 39.48 37.62 1ddx n PHE 529 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 1ddx h SER 530 N 0.00 -0.27 0.00 4.37 0.87 -0.63 -3.24 113.55 114.65 1ddx h SER 530 Ca 0.36 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.93 1ddx h SER 530 Cb 0.70 0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.73 1ddx h SER 530 CO -0.59 -0.09 0.07 0.18 -0.53 0.00 0.00 176.83 175.88 1ddx n LEU 531 N -3.46 0.00 0.00 2.23 4.32 -0.62 -1.16 117.00 118.30 1ddx n LEU 531 Ca -0.04 0.16 0.00 0.00 -0.02 0.00 0.00 56.01 56.11 1ddx n LEU 531 Cb 0.13 -0.16 0.00 0.00 -1.62 0.00 0.00 43.42 41.77 1ddx n LEU 531 CO 0.10 -0.16 0.00 1.17 -1.22 0.00 0.00 177.39 177.28 1ddx n LYS 532 N -1.07 0.00 0.18 3.23 0.00 -0.89 -2.02 118.16 117.58 1ddx n LYS 532 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 1ddx n LYS 532 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.10 1ddx n LYS 532 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1ddx n GLY 533 N 3.03 -0.27 0.07 3.14 0.00 -1.02 0.16 105.19 110.29 1ddx n GLY 533 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1ddx n GLY 533 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1ddx h LEU 534 N 0.00 0.00 0.00 0.99 7.12 -1.27 -3.37 115.31 118.78 1ddx h LEU 534 Ca 0.00 -0.44 -0.00 0.00 0.13 0.00 0.00 57.88 57.57 1ddx h LEU 534 Cb 1.53 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 41.66 1ddx h LEU 534 CO 0.00 0.85 -0.02 0.24 -0.13 0.00 0.00 178.44 179.38 1ddx h MET 535 N -1.00 0.00 0.00 1.25 2.86 0.21 -3.32 114.93 114.93 1ddx h MET 535 Ca -0.05 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1ddx h MET 535 Cb 0.61 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.27 1ddx h MET 535 CO -0.03 0.84 0.00 0.41 1.06 0.00 0.00 176.91 179.19 1ddx n GLY 536 N 1.63 0.00 3.77 8.32 0.00 0.32 -4.45 105.19 114.78 1ddx n GLY 536 Ca -0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.55 1ddx n GLY 536 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ddx s ASN 537 N -1.51 6.87 0.03 1.61 3.84 -1.25 -1.70 114.94 122.83 1ddx s ASN 537 Ca 0.00 2.26 -0.07 0.00 0.21 0.00 0.00 52.86 55.26 1ddx s ASN 537 Cb 0.00 -2.61 -0.02 0.00 -0.55 0.00 0.00 41.25 38.07 1ddx s ASN 537 CO 0.00 -0.43 1.12 1.55 -2.79 0.00 0.00 177.10 176.55 1ddx h PRO 538 N 3.06 -0.01 0.00 0.43 0.13 -1.83 -0.74 132.00 133.05 1ddx h PRO 538 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1ddx h PRO 538 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1ddx h PRO 538 CO 0.64 -0.01 0.43 0.44 -0.23 0.00 0.00 178.00 179.27 1ddx n ILE 539 N -3.46 0.35 1.07 -3.56 -6.64 -1.26 0.17 119.36 106.04 1ddx n ILE 539 Ca 0.00 0.53 0.12 0.00 -1.77 0.00 0.00 62.75 61.63 1ddx n ILE 539 Cb 0.06 -1.53 0.11 0.00 -1.44 0.00 0.00 39.64 36.84 1ddx n ILE 539 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1ddx s SER 541 N -2.46 6.70 0.13 0.00 1.04 0.45 -4.77 113.70 114.79 1ddx s SER 541 Ca 0.21 1.61 -0.32 0.00 0.48 0.00 0.00 55.95 57.92 1ddx s SER 541 Cb 0.18 -2.52 -0.09 0.00 0.10 0.00 0.00 66.02 63.69 1ddx s SER 541 CO 0.55 -0.53 1.55 -0.65 0.98 0.00 0.00 173.24 175.14 1ddx h PRO 542 N 1.20 -0.39 -1.89 4.02 0.11 -1.92 -1.35 132.00 131.78 1ddx h PRO 542 Ca -0.47 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1ddx h PRO 542 Cb 1.18 0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1ddx h PRO 542 CO 0.61 -0.26 0.00 0.00 -0.21 0.00 0.00 178.00 178.14 1ddx n GLN 543 N -5.39 0.60 0.00 1.05 -0.00 -1.26 -2.62 117.38 109.76 1ddx n GLN 543 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.97 1ddx n GLN 543 Cb 0.35 -1.20 0.00 0.00 -0.00 0.00 0.00 30.24 29.39 1ddx n GLN 543 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 1ddx n TYR 544 N 1.51 0.00 -2.15 2.61 4.01 -0.60 -5.01 117.16 117.53 1ddx n TYR 544 Ca 0.00 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.44 1ddx n TYR 544 Cb 0.30 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.28 1ddx n TYR 544 CO 0.00 0.00 0.00 -0.46 -0.46 0.00 0.00 176.86 175.94 1ddx s TRP 545 N -1.00 2.08 -0.23 -0.72 -0.00 -0.64 -4.57 118.94 113.86 1ddx s TRP 545 Ca 0.00 0.15 -0.27 0.00 -0.00 0.00 0.00 56.10 55.98 1ddx s TRP 545 Cb 0.00 -4.12 0.12 0.00 -0.00 0.00 0.00 33.47 29.48 1ddx s TRP 545 CO 0.00 -1.29 1.00 -1.59 -0.00 0.00 0.00 176.95 175.07 1ddx s LYS 546 N 6.13 0.56 0.16 5.86 -2.85 -1.26 -5.00 119.74 123.35 1ddx s LYS 546 Ca 0.66 0.42 -0.10 0.00 -1.00 0.00 0.00 55.97 55.96 1ddx s LYS 546 Cb -0.00 0.27 0.21 0.00 -2.06 0.00 0.00 37.83 36.25 1ddx s LYS 546 CO 0.12 -0.12 1.03 -2.30 0.10 0.00 0.00 175.35 174.19 1ddx n PRO 547 N 1.62 -0.12 -0.18 1.78 -0.01 -1.26 -0.51 135.00 136.32 1ddx n PRO 547 Ca -0.12 1.03 -0.06 0.00 -0.01 0.00 0.00 63.50 64.34 1ddx n PRO 547 Cb 0.57 -1.53 -0.05 0.00 -0.01 0.00 0.00 33.50 32.48 1ddx n PRO 547 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 175.50 176.15 1ddx h SER 548 N 0.00 -1.08 -0.91 2.55 4.64 -1.90 2.29 113.55 119.13 1ddx h SER 548 Ca 0.26 0.16 0.26 0.00 -0.47 0.00 0.00 61.79 62.00 1ddx h SER 548 Cb 0.43 0.47 -0.04 0.00 -0.31 0.00 0.00 62.40 62.95 1ddx h SER 548 CO -0.67 -0.14 1.16 0.41 -0.87 0.00 0.00 176.83 176.72 1ddx n THR 549 N -4.14 0.00 -1.78 2.95 -1.04 0.33 0.28 114.28 110.89 1ddx n THR 549 Ca 0.00 1.19 0.05 0.00 -2.04 0.00 0.00 64.05 63.25 1ddx n THR 549 Cb 0.14 -2.15 0.17 0.00 -1.82 0.00 0.00 70.33 66.68 1ddx n THR 549 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1ddx n PHE 550 N -3.10 0.05 -1.17 -1.42 3.01 0.17 -4.91 117.46 110.09 1ddx n PHE 550 Ca 0.20 -1.33 -0.04 0.00 1.01 0.00 0.00 57.45 57.30 1ddx n PHE 550 Cb 1.43 -0.23 -0.02 0.00 -0.01 0.00 0.00 39.48 40.65 1ddx n PHE 550 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ddx n GLY 551 N -0.81 0.64 0.00 1.37 0.00 0.14 -4.19 105.19 102.35 1ddx n GLY 551 Ca 0.17 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.30 1ddx n GLY 551 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ddx n GLY 552 N -2.42 -1.39 0.18 -0.02 0.00 0.72 -4.41 105.19 97.86 1ddx n GLY 552 Ca -0.04 -1.55 -0.03 0.00 0.00 0.00 0.00 46.02 44.40 1ddx n GLY 552 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ddx n GLU 553 N -1.35 -0.17 0.00 1.61 -0.58 -1.26 -0.91 120.64 117.99 1ddx n GLU 553 Ca 0.00 0.68 0.00 0.00 -0.42 0.00 0.00 57.16 57.42 1ddx n GLU 553 Cb 0.00 -1.00 0.00 0.00 -0.57 0.00 0.00 31.44 29.87 1ddx n GLU 553 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1ddx n VAL 554 N -4.59 0.00 0.17 2.62 0.31 -1.26 0.11 118.33 115.68 1ddx n VAL 554 Ca 0.02 1.32 0.10 0.00 -0.01 0.00 0.00 64.34 65.77 1ddx n VAL 554 Cb 0.14 -2.03 0.51 0.00 -0.91 0.00 0.00 33.84 31.56 1ddx n VAL 554 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ddx n GLY 555 N -0.93 -0.78 0.06 2.92 0.00 -0.77 -1.62 105.19 104.07 1ddx n GLY 555 Ca 0.00 0.18 -0.07 0.00 0.00 0.00 0.00 46.02 46.13 1ddx n GLY 555 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1ddx h PHE 556 N 0.00 -0.01 -0.85 1.61 3.57 0.98 -3.33 116.94 118.90 1ddx h PHE 556 Ca 0.00 -0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.65 1ddx h PHE 556 Cb 0.22 0.00 -0.15 0.00 2.79 0.00 0.00 35.95 38.81 1ddx h PHE 556 CO 0.00 0.46 -0.30 -0.22 -2.23 0.00 0.00 178.31 176.02 1ddx h LYS 557 N -1.00 -0.03 -0.55 1.11 3.64 0.17 0.20 116.57 120.11 1ddx h LYS 557 Ca -0.00 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.43 1ddx h LYS 557 Cb 0.47 0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 32.23 1ddx h LYS 557 CO 0.00 -0.02 -0.32 -0.89 -2.27 0.00 0.00 179.45 175.95 1ddx n ILE 558 N -5.51 -0.37 0.08 2.00 5.41 -1.02 0.87 119.36 120.82 1ddx n ILE 558 Ca 0.10 1.39 -0.12 0.00 1.00 0.00 0.00 62.75 65.12 1ddx n ILE 558 Cb 0.41 -1.72 -0.06 0.00 -0.71 0.00 0.00 39.64 37.56 1ddx n ILE 558 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 1ddx h ILE 559 N 0.00 0.76 0.00 1.39 2.04 -1.10 -2.22 117.51 118.38 1ddx h ILE 559 Ca 0.09 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.95 1ddx h ILE 559 Cb 0.22 0.76 0.00 0.00 -0.74 0.00 0.00 36.82 37.06 1ddx h ILE 559 CO -0.51 0.00 0.00 0.59 0.00 0.00 0.00 178.15 178.23 1ddx n ASN 560 N -5.22 0.08 -3.18 1.72 3.02 0.25 -2.67 115.26 109.26 1ddx n ASN 560 Ca -0.07 0.53 -0.24 0.00 -0.03 0.00 0.00 54.58 54.78 1ddx n ASN 560 Cb 0.15 -0.54 -0.05 0.00 -0.61 0.00 0.00 39.78 38.72 1ddx n ASN 560 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1ddx n THR 561 N -1.60 0.98 -4.66 3.41 -2.24 0.99 -5.06 114.28 106.10 1ddx n THR 561 Ca 0.01 -4.80 -0.25 0.00 -2.27 0.00 0.00 64.05 56.74 1ddx n THR 561 Cb 0.04 -1.36 -0.16 0.00 -2.10 0.00 0.00 70.33 66.75 1ddx n THR 561 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ddx s ALA 562 N -2.36 1.31 -0.02 6.98 0.00 -1.09 -4.81 121.76 121.77 1ddx s ALA 562 Ca 0.41 -0.51 -0.04 0.00 0.00 0.00 0.00 51.96 51.81 1ddx s ALA 562 Cb 0.24 -0.51 0.00 0.00 0.00 0.00 0.00 23.12 22.86 1ddx s ALA 562 CO -0.09 0.18 0.10 -1.54 0.00 0.00 0.00 175.76 174.42 1ddx s SER 563 N 0.34 -0.04 0.47 0.00 1.04 -1.26 -4.34 113.70 109.91 1ddx s SER 563 Ca -0.09 0.02 0.30 0.00 0.48 0.00 0.00 55.95 56.66 1ddx s SER 563 Cb -0.13 0.21 1.38 0.00 0.10 0.00 0.00 66.02 67.58 1ddx s SER 563 CO 0.03 -0.16 1.73 -0.29 0.98 0.00 0.00 173.24 175.52 1ddx h ILE 564 N 4.74 0.34 0.00 -1.02 6.09 -1.97 0.38 117.51 126.07 1ddx h ILE 564 Ca -0.27 -0.06 0.00 0.00 -1.37 0.00 0.00 64.86 63.16 1ddx h ILE 564 Cb 1.20 0.17 0.00 0.00 0.47 0.00 0.00 36.82 38.66 1ddx h ILE 564 CO 0.42 0.03 0.00 1.67 -3.07 0.00 0.00 178.15 177.20 1ddx n GLN 565 N -4.45 0.00 -0.25 2.19 -0.06 -1.26 -1.35 117.38 112.20 1ddx n GLN 565 Ca 0.30 0.52 0.04 0.00 -2.00 0.00 0.00 57.00 55.86 1ddx n GLN 565 Cb 1.23 -1.40 0.18 0.00 -4.06 0.00 0.00 30.24 26.18 1ddx n GLN 565 CO 0.00 0.00 0.00 0.66 -0.20 0.00 0.00 177.06 177.52 1ddx h SER 566 N 0.00 0.27 -0.87 1.69 4.64 -1.48 0.80 113.55 118.60 1ddx h SER 566 Ca 0.00 0.10 0.21 0.00 -0.47 0.00 0.00 61.79 61.64 1ddx h SER 566 Cb 0.00 0.08 -0.16 0.00 -0.31 0.00 0.00 62.40 62.01 1ddx h SER 566 CO 0.00 0.11 -0.01 0.25 -0.87 0.00 0.00 176.83 176.31 1ddx h LEU 567 N 0.44 -0.46 0.19 5.97 5.85 -0.12 0.60 115.31 127.78 1ddx h LEU 567 Ca 0.40 0.24 -0.31 0.00 0.84 0.00 0.00 57.88 59.05 1ddx h LEU 567 Cb 0.59 0.43 0.02 0.00 0.37 0.00 0.00 40.66 42.07 1ddx h LEU 567 CO -0.39 -0.26 -1.36 0.40 -0.34 0.00 0.00 178.44 176.49 1ddx h ILE 568 N 0.06 1.39 -0.11 4.05 5.03 0.53 -2.85 117.51 125.60 1ddx h ILE 568 Ca 0.49 -2.88 0.05 0.00 -0.12 0.00 0.00 64.86 62.39 1ddx h ILE 568 Cb 0.92 2.99 -0.06 0.00 -3.03 0.00 0.00 36.82 37.64 1ddx h ILE 568 CO -0.81 0.85 -0.31 0.00 -0.68 0.00 0.00 178.15 177.21 1ddx h ASN 570 N -0.40 -0.48 0.31 0.00 2.35 -0.28 -3.32 115.58 113.76 1ddx h ASN 570 Ca 0.09 -0.10 -0.05 0.00 -0.55 0.00 0.00 56.30 55.69 1ddx h ASN 570 Cb 0.54 0.13 -0.01 0.00 0.05 0.00 0.00 38.32 39.03 1ddx h ASN 570 CO -0.34 -0.08 -0.22 0.78 -1.65 0.00 0.00 177.43 175.92 1ddx h ASN 571 N -0.99 0.00 -3.27 5.81 2.35 -1.46 -3.44 115.58 114.58 1ddx h ASN 571 Ca -0.06 0.00 -0.66 0.00 -0.55 0.00 0.00 56.30 55.03 1ddx h ASN 571 Cb 0.56 0.00 -0.13 0.00 0.05 0.00 0.00 38.32 38.80 1ddx h ASN 571 CO 0.10 0.22 -0.62 -0.69 -1.65 0.00 0.00 177.43 174.79 1ddx s VAL 572 N -4.35 4.36 0.64 2.81 1.01 0.16 -4.99 120.40 120.03 1ddx s VAL 572 Ca -0.03 -0.48 -0.18 0.00 0.00 0.00 0.00 61.98 61.29 1ddx s VAL 572 Cb 0.14 -2.94 -0.03 0.00 0.00 0.00 0.00 36.38 33.55 1ddx s VAL 572 CO 0.67 0.41 1.06 1.17 0.00 0.00 0.00 175.10 178.41 1ddx n LYS 573 N 1.46 0.89 -0.62 2.72 4.81 -1.26 -2.81 118.16 123.35 1ddx n LYS 573 Ca -0.15 0.35 0.00 0.00 -0.87 0.00 0.00 58.31 57.64 1ddx n LYS 573 Cb 0.53 -2.28 0.00 0.00 0.02 0.00 0.00 35.03 33.30 1ddx n LYS 573 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ddx n GLY 574 N 1.17 0.00 3.83 3.14 0.00 -1.26 -3.60 105.19 108.46 1ddx n GLY 574 Ca 0.14 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.91 1ddx n GLY 574 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ddx n PRO 576 N -4.32 2.31 -1.53 0.00 -0.04 -1.24 -4.86 135.00 125.32 1ddx n PRO 576 Ca -0.27 0.85 -0.38 0.00 -0.04 0.00 0.00 63.50 63.66 1ddx n PRO 576 Cb 0.67 -2.71 0.04 0.00 -0.04 0.00 0.00 33.50 31.46 1ddx n PRO 576 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1ddx n PHE 577 N 6.53 -0.01 -3.79 0.54 7.35 -1.26 -4.74 117.46 122.07 1ddx n PHE 577 Ca 0.22 0.45 -0.09 0.00 -0.76 0.00 0.00 57.45 57.27 1ddx n PHE 577 Cb 0.31 -2.04 -0.03 0.00 0.35 0.00 0.00 39.48 38.07 1ddx n PHE 577 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 1ddx s THR 578 N -1.61 0.01 0.11 -2.13 2.01 -1.26 -4.69 115.64 108.08 1ddx s THR 578 Ca 0.71 -0.88 -0.26 0.00 0.31 0.00 0.00 61.69 61.56 1ddx s THR 578 Cb -0.45 -1.74 0.08 0.00 0.01 0.00 0.00 72.50 70.40 1ddx s THR 578 CO 0.52 -0.06 1.06 -0.55 -0.69 0.00 0.00 174.62 174.89 1ddx s SER 579 N -2.90 -0.14 0.00 3.53 0.15 -1.26 -4.74 113.70 108.35 1ddx s SER 579 Ca 0.11 -0.34 0.20 0.00 0.70 0.00 0.00 55.95 56.63 1ddx s SER 579 Cb -0.02 0.40 0.56 0.00 -1.71 0.00 0.00 66.02 65.25 1ddx s SER 579 CO 0.01 -0.73 1.45 0.49 1.20 0.00 0.00 173.24 175.66 1ddx n PHE 580 N -0.48 0.41 -4.95 3.44 0.99 -1.26 -4.65 117.46 110.96 1ddx n PHE 580 Ca -0.07 -0.20 -0.33 0.00 -0.00 0.00 0.00 57.45 56.86 1ddx n PHE 580 Cb 0.61 0.00 -0.15 0.00 -1.00 0.00 0.00 39.48 38.94 1ddx n PHE 580 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.76 177.97 1ddx s ASN 581 N -1.42 3.68 -1.29 4.37 3.04 -1.26 -2.46 114.94 119.59 1ddx s ASN 581 Ca 0.35 -0.41 -0.17 0.00 0.04 0.00 0.00 52.86 52.67 1ddx s ASN 581 Cb 0.19 -1.49 0.09 0.00 -1.54 0.00 0.00 41.25 38.50 1ddx s ASN 581 CO 0.27 0.17 1.70 0.55 -3.04 0.00 0.00 177.10 176.75 1ddx n VAL 582 N 3.46 4.00 -0.09 -5.21 3.14 0.43 -4.84 118.33 119.22 1ddx n VAL 582 Ca -0.18 -4.20 0.00 0.00 -2.96 0.00 0.00 64.34 57.00 1ddx n VAL 582 Cb 0.53 -2.38 0.00 0.00 -1.06 0.00 0.00 33.84 30.92 1ddx n VAL 582 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37