#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dmk s LYS 2 N 0.00 0.57 0.82 3.69 2.20 0.89 -5.00 119.74 122.91 3dmk s LYS 2 Ca 0.00 0.75 -0.11 0.00 -0.36 0.00 0.00 55.97 56.25 3dmk s LYS 2 Cb 0.00 0.24 0.09 0.00 -1.51 0.00 0.00 37.83 36.64 3dmk s LYS 2 CO 0.00 -0.09 1.09 0.20 -0.36 0.00 0.00 175.35 176.19 3dmk s GLY 3 N 0.51 1.64 0.62 5.54 0.00 -1.26 -1.00 107.32 113.37 3dmk s GLY 3 Ca -0.02 0.07 -0.17 0.00 0.00 0.00 0.00 44.72 44.60 3dmk s GLY 3 CO -0.02 0.49 1.13 2.56 0.00 0.00 0.00 173.10 177.25 3dmk s PRO 4 N -4.95 2.93 -0.12 2.90 0.04 -1.26 -4.51 135.00 130.04 3dmk s PRO 4 Ca 0.62 1.54 -0.09 0.00 0.04 0.00 0.00 61.00 63.11 3dmk s PRO 4 Cb -0.17 -1.96 0.04 0.00 0.04 0.00 0.00 34.50 32.45 3dmk s PRO 4 CO 0.56 -1.17 0.29 0.54 0.04 0.00 0.00 177.00 177.27 3dmk s VAL 5 N -2.05 -0.01 -0.09 -0.36 0.11 0.93 -4.93 120.40 113.98 3dmk s VAL 5 Ca 0.70 0.05 -0.30 0.00 -2.93 0.00 0.00 61.98 59.51 3dmk s VAL 5 Cb -0.23 -0.43 -0.03 0.00 -1.53 0.00 0.00 36.38 34.16 3dmk s VAL 5 CO 0.36 0.02 1.33 -0.36 -3.33 0.00 0.00 175.10 173.13 3dmk s PHE 6 N 0.59 2.79 -0.13 1.54 0.08 -1.26 -0.77 117.98 120.82 3dmk s PHE 6 Ca -0.04 0.89 0.19 0.00 0.12 0.00 0.00 56.93 58.10 3dmk s PHE 6 Cb -0.05 -3.58 -0.24 0.00 -0.57 0.00 0.00 43.02 38.58 3dmk s PHE 6 CO -0.03 -2.08 0.44 1.28 -0.10 0.00 0.00 175.22 174.72 3dmk n LEU 7 N 6.15 0.28 -3.24 -0.37 4.77 -0.80 -4.89 117.00 118.90 3dmk n LEU 7 Ca 0.14 0.12 -0.02 0.00 -0.03 0.00 0.00 56.01 56.22 3dmk n LEU 7 Cb 0.45 0.21 -0.04 0.00 -2.33 0.00 0.00 43.42 41.71 3dmk n LEU 7 CO 0.57 0.23 0.05 -0.75 -1.33 0.00 0.00 177.39 176.16 3dmk s LYS 8 N -2.94 0.47 0.36 3.23 2.20 0.06 -4.99 119.74 118.12 3dmk s LYS 8 Ca -0.07 0.70 0.02 0.00 -0.36 0.00 0.00 55.97 56.26 3dmk s LYS 8 Cb 0.09 0.05 -0.02 0.00 -1.51 0.00 0.00 37.83 36.44 3dmk s LYS 8 CO 0.85 -0.71 0.54 -1.21 -0.36 0.00 0.00 175.35 174.46 3dmk s GLU 9 N 2.71 3.32 0.74 4.03 2.02 -1.26 -1.05 118.70 129.20 3dmk s GLU 9 Ca 0.16 -0.52 -0.11 0.00 0.02 0.00 0.00 54.97 54.51 3dmk s GLU 9 Cb -0.14 -2.69 0.03 0.00 0.10 0.00 0.00 34.13 31.43 3dmk s GLU 9 CO -0.20 0.07 1.09 -2.14 0.02 0.00 0.00 175.26 174.09 3dmk s PRO 10 N -4.32 2.61 0.83 0.39 0.02 -1.26 -4.95 135.00 128.32 3dmk s PRO 10 Ca 0.42 0.62 -0.11 0.00 0.02 0.00 0.00 61.00 61.94 3dmk s PRO 10 Cb -0.10 -1.98 0.09 0.00 0.02 0.00 0.00 34.50 32.53 3dmk s PRO 10 CO 0.35 -1.25 1.09 0.95 -0.33 0.00 0.00 177.00 177.81 3dmk s THR 11 N -3.22 3.00 0.28 0.99 -4.23 -1.26 -4.95 115.64 106.25 3dmk s THR 11 Ca 0.59 0.33 -0.00 0.00 -1.18 0.00 0.00 61.69 61.42 3dmk s THR 11 Cb -0.13 -2.90 0.13 0.00 1.34 0.00 0.00 72.50 70.95 3dmk s THR 11 CO 0.53 -0.43 1.80 0.78 -0.54 0.00 0.00 174.62 176.77 3dmk h ASN 12 N -1.28 0.70 -3.22 3.99 -0.26 -1.93 -3.41 115.58 110.16 3dmk h ASN 12 Ca -0.47 -0.15 -0.67 0.00 -0.56 0.00 0.00 56.30 54.45 3dmk h ASN 12 Cb 1.26 -0.18 -0.34 0.00 -1.06 0.00 0.00 38.32 38.00 3dmk h ASN 12 CO 0.55 0.75 -0.87 -0.13 -1.06 0.00 0.00 177.43 176.67 3dmk s ARG 13 N -5.04 3.00 -0.29 0.81 1.81 -1.26 -0.95 118.95 117.03 3dmk s ARG 13 Ca -0.09 -0.85 0.00 0.00 -1.72 0.00 0.00 55.73 53.07 3dmk s ARG 13 Cb 0.15 -2.40 0.09 0.00 -0.45 0.00 0.00 34.95 32.34 3dmk s ARG 13 CO 0.80 0.01 0.04 0.42 -0.68 0.00 0.00 175.30 175.89 3dmk s ILE 14 N 0.75 1.31 -0.10 1.52 -1.09 -0.30 -4.97 121.20 118.32 3dmk s ILE 14 Ca -0.09 -1.48 -0.03 0.00 -2.23 0.00 0.00 60.65 56.82 3dmk s ILE 14 Cb -0.16 -1.86 -0.03 0.00 -1.58 0.00 0.00 42.46 38.83 3dmk s ILE 14 CO -0.00 -0.47 0.01 -1.81 -1.23 0.00 0.00 174.94 171.44 3dmk s ASP 15 N 1.43 5.32 0.17 3.58 1.01 -1.26 -0.98 116.67 125.93 3dmk s ASP 15 Ca 0.05 0.15 -0.22 0.00 0.71 0.00 0.00 52.55 53.23 3dmk s ASP 15 Cb -0.18 -1.57 0.06 0.00 1.01 0.00 0.00 42.92 42.24 3dmk s ASP 15 CO -0.15 0.35 0.60 0.72 0.21 0.00 0.00 175.17 176.90 3dmk s PHE 16 N -0.72 -0.49 0.17 4.23 -0.12 -0.82 -5.00 117.98 115.22 3dmk s PHE 16 Ca 0.11 0.26 -0.05 0.00 -0.05 0.00 0.00 56.93 57.21 3dmk s PHE 16 Cb -0.12 0.55 -0.06 0.00 -0.63 0.00 0.00 43.02 42.77 3dmk s PHE 16 CO 0.02 -0.87 0.40 -1.54 -0.05 0.00 0.00 175.22 173.19 3dmk s SER 17 N -2.77 6.49 0.60 1.98 1.04 -1.26 -0.33 113.70 119.45 3dmk s SER 17 Ca 0.02 0.60 0.34 0.00 0.48 0.00 0.00 55.95 57.39 3dmk s SER 17 Cb -0.01 -2.09 1.94 0.00 0.10 0.00 0.00 66.02 65.95 3dmk s SER 17 CO -0.11 0.02 2.26 -0.55 0.98 0.00 0.00 173.24 175.83 3dmk h ASN 18 N 2.63 0.00 1.16 7.02 -1.07 -1.84 0.52 115.58 124.00 3dmk h ASN 18 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.91 3dmk h ASN 18 Cb 1.17 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.42 3dmk h ASN 18 CO 0.71 0.02 -0.80 0.28 0.07 0.00 0.00 177.43 177.71 3dmk h SER 19 N 0.00 0.00 0.06 6.14 0.02 -1.91 0.62 113.55 118.47 3dmk h SER 19 Ca -0.00 -0.02 -0.29 0.00 -0.84 0.00 0.00 61.79 60.64 3dmk h SER 19 Cb 0.05 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.57 3dmk h SER 19 CO 0.00 0.01 -1.58 0.74 -1.14 0.00 0.00 176.83 174.86 3dmk h THR 20 N 0.00 0.79 -0.62 -2.27 2.02 -1.36 -3.47 112.91 108.00 3dmk h THR 20 Ca 0.00 -2.25 0.07 0.00 0.77 0.00 0.00 66.41 65.00 3dmk h THR 20 Cb 0.98 2.34 -0.03 0.00 -1.74 0.00 0.00 68.15 69.71 3dmk h THR 20 CO 0.00 0.56 -0.15 0.61 0.37 0.00 0.00 175.52 176.91 3dmk n GLY 21 N 1.67 -1.93 3.46 2.16 0.00 -0.31 -4.72 105.19 105.53 3dmk n GLY 21 Ca -0.32 -1.43 -0.17 0.00 0.00 0.00 0.00 46.02 44.10 3dmk n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dmk s ALA 22 N -2.02 -1.57 0.00 4.61 0.00 -0.03 -4.74 121.76 118.00 3dmk s ALA 22 Ca 0.00 1.05 0.04 0.00 0.00 0.00 0.00 51.96 53.05 3dmk s ALA 22 Cb 0.00 0.10 -0.01 0.00 0.00 0.00 0.00 23.12 23.21 3dmk s ALA 22 CO 0.00 -0.39 -0.12 -1.83 0.00 0.00 0.00 175.76 173.42 3dmk s GLU 23 N -1.49 0.91 -0.17 0.00 -1.05 -1.26 -0.25 118.70 115.38 3dmk s GLU 23 Ca -0.10 -0.47 0.00 0.00 -0.15 0.00 0.00 54.97 54.25 3dmk s GLU 23 Cb -0.01 -0.88 0.03 0.00 -0.44 0.00 0.00 34.13 32.84 3dmk s GLU 23 CO 0.07 0.24 -0.11 0.96 0.95 0.00 0.00 175.26 177.36 3dmk s ILE 24 N -0.39 1.54 -0.22 1.83 -4.36 -0.14 -5.01 121.20 114.45 3dmk s ILE 24 Ca 0.04 -0.79 -0.12 0.00 -0.26 0.00 0.00 60.65 59.51 3dmk s ILE 24 Cb -0.05 -1.55 -0.05 0.00 1.25 0.00 0.00 42.46 42.06 3dmk s ILE 24 CO -0.00 0.29 0.21 -0.70 0.24 0.00 0.00 174.94 174.98 3dmk s GLU 25 N 1.47 4.13 -0.28 0.37 2.12 -1.26 -1.02 118.70 124.23 3dmk s GLU 25 Ca 0.02 -0.14 0.03 0.00 0.36 0.00 0.00 54.97 55.24 3dmk s GLU 25 Cb -0.15 -3.50 0.07 0.00 0.26 0.00 0.00 34.13 30.81 3dmk s GLU 25 CO -0.09 0.11 -0.07 0.00 -0.54 0.00 0.00 175.26 174.67 3dmk s LYS 27 N 1.08 3.75 0.00 0.00 2.36 -0.22 -4.42 119.74 122.29 3dmk s LYS 27 Ca -0.05 -0.45 0.06 0.00 -2.55 0.00 0.00 55.97 52.98 3dmk s LYS 27 Cb -0.20 -3.18 -0.02 0.00 -1.05 0.00 0.00 37.83 33.39 3dmk s LYS 27 CO -0.05 0.06 -0.20 0.00 1.55 0.00 0.00 175.35 176.71 3dmk s ALA 28 N 0.91 1.66 0.13 3.13 0.00 -1.26 -0.76 121.76 125.57 3dmk s ALA 28 Ca 0.03 -0.90 0.05 0.00 0.00 0.00 0.00 51.96 51.13 3dmk s ALA 28 Cb -0.14 -0.39 -0.04 0.00 0.00 0.00 0.00 23.12 22.55 3dmk s ALA 28 CO 0.02 0.40 0.08 0.45 0.00 0.00 0.00 175.76 176.71 3dmk s SER 29 N -0.66 5.36 0.00 0.00 0.15 0.05 -4.81 113.70 113.80 3dmk s SER 29 Ca 0.07 -0.13 0.00 0.00 0.70 0.00 0.00 55.95 56.59 3dmk s SER 29 Cb -0.08 -1.37 0.00 0.00 -1.71 0.00 0.00 66.02 62.86 3dmk s SER 29 CO -0.00 0.12 0.00 0.61 1.20 0.00 0.00 173.24 175.17 3dmk n GLY 30 N 0.04 -1.23 3.15 9.45 0.00 -1.26 -0.05 105.19 115.30 3dmk n GLY 30 Ca -0.09 -0.92 0.04 0.00 0.00 0.00 0.00 46.02 45.05 3dmk n GLY 30 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3dmk s ASN 31 N -2.19 -1.48 0.84 1.61 3.04 -0.17 -4.11 114.94 112.47 3dmk s ASN 31 Ca 0.00 0.37 -0.11 0.00 0.04 0.00 0.00 52.86 53.16 3dmk s ASN 31 Cb 0.00 2.02 0.10 0.00 -1.54 0.00 0.00 41.25 41.83 3dmk s ASN 31 CO 0.00 -0.27 1.13 -2.84 -3.04 0.00 0.00 177.10 172.08 3dmk s PRO 32 N 2.85 1.63 -0.15 0.43 0.02 -1.26 -0.08 135.00 138.44 3dmk s PRO 32 Ca 0.14 1.44 -0.30 0.00 0.02 0.00 0.00 61.00 62.29 3dmk s PRO 32 Cb -0.11 -1.80 -0.08 0.00 0.02 0.00 0.00 34.50 32.53 3dmk s PRO 32 CO -0.24 -2.16 2.11 -0.12 -0.33 0.00 0.00 177.00 176.26 3dmk n MET 33 N -3.76 2.14 -2.51 5.54 1.56 -1.26 -4.79 117.12 114.04 3dmk n MET 33 Ca 0.11 0.68 -0.33 0.00 -0.27 0.00 0.00 57.70 57.89 3dmk n MET 33 Cb 0.52 -3.02 -0.03 0.00 2.15 0.00 0.00 33.22 32.84 3dmk n MET 33 CO 0.00 0.00 0.00 -1.25 -0.73 0.00 0.00 175.97 173.99 3dmk s PRO 34 N 5.55 3.82 0.47 2.12 0.04 -1.26 -4.90 135.00 140.83 3dmk s PRO 34 Ca 0.98 1.26 -0.14 0.00 0.04 0.00 0.00 61.00 63.14 3dmk s PRO 34 Cb -0.46 -2.10 -0.07 0.00 0.04 0.00 0.00 34.50 31.90 3dmk s PRO 34 CO 0.41 -0.40 0.90 -1.83 0.04 0.00 0.00 177.00 176.11 3dmk s GLU 35 N -3.41 3.88 -0.40 4.56 -1.05 0.30 -4.81 118.70 117.77 3dmk s GLU 35 Ca 0.65 0.76 0.02 0.00 -0.15 0.00 0.00 54.97 56.25 3dmk s GLU 35 Cb -0.14 -2.24 0.11 0.00 -0.44 0.00 0.00 34.13 31.42 3dmk s GLU 35 CO 0.22 -0.17 0.15 0.42 0.95 0.00 0.00 175.26 176.82 3dmk s ILE 36 N -2.52 2.70 -0.16 1.83 1.09 -1.26 -1.19 121.20 121.70 3dmk s ILE 36 Ca 0.56 -2.42 -0.08 0.00 -1.10 0.00 0.00 60.65 57.61 3dmk s ILE 36 Cb -0.10 -2.92 -0.04 0.00 -1.06 0.00 0.00 42.46 38.34 3dmk s ILE 36 CO 0.31 -0.67 0.13 -0.63 -0.10 0.00 0.00 174.94 173.98 3dmk s ILE 37 N 0.77 5.40 -0.05 2.92 1.01 0.02 -4.75 121.20 126.51 3dmk s ILE 37 Ca 0.11 0.18 -0.19 0.00 0.00 0.00 0.00 60.65 60.75 3dmk s ILE 37 Cb -0.21 -3.41 -0.05 0.00 0.01 0.00 0.00 42.46 38.80 3dmk s ILE 37 CO -0.06 0.53 0.53 0.26 0.00 0.00 0.00 174.94 176.20 3dmk s TRP 38 N -0.29 3.62 0.30 3.97 0.52 -1.26 -0.56 118.94 125.24 3dmk s TRP 38 Ca 0.11 1.05 0.09 0.00 0.02 0.00 0.00 56.10 57.37 3dmk s TRP 38 Cb -0.12 -2.55 -0.05 0.00 -1.15 0.00 0.00 33.47 29.61 3dmk s TRP 38 CO 0.01 0.31 0.02 0.96 0.02 0.00 0.00 176.95 178.27 3dmk s ILE 39 N 0.06 3.09 0.34 2.03 -4.36 0.15 -0.19 121.20 122.33 3dmk s ILE 39 Ca 0.28 -1.90 0.07 0.00 -0.26 0.00 0.00 60.65 58.85 3dmk s ILE 39 Cb -0.17 -2.84 -0.03 0.00 1.25 0.00 0.00 42.46 40.68 3dmk s ILE 39 CO 0.14 -0.29 0.30 -0.60 0.24 0.00 0.00 174.94 174.73 3dmk s ARG 40 N -3.72 2.72 0.25 0.37 3.52 0.79 -1.03 118.95 121.85 3dmk s ARG 40 Ca 0.34 -1.30 -0.08 0.00 -0.13 0.00 0.00 55.73 54.55 3dmk s ARG 40 Cb -0.04 -2.48 0.40 0.00 -1.56 0.00 0.00 34.95 31.28 3dmk s ARG 40 CO 0.20 0.08 1.44 -1.13 -0.81 0.00 0.00 175.30 175.08 3dmk n SER 41 N -1.39 -0.36 0.23 -2.12 3.41 -0.68 -1.21 113.62 111.50 3dmk n SER 41 Ca -0.02 1.59 0.11 0.00 -0.26 0.00 0.00 58.87 60.30 3dmk n SER 41 Cb 0.60 -0.47 0.42 0.00 -0.26 0.00 0.00 64.21 64.50 3dmk n SER 41 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 3dmk h ASP 42 N 0.00 0.00 0.00 4.04 3.04 -1.96 -3.47 116.42 118.07 3dmk h ASP 42 Ca 0.43 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.22 3dmk h ASP 42 Cb 0.66 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.95 3dmk h ASP 42 CO -0.95 0.17 0.00 0.61 -2.04 0.00 0.00 179.24 177.03 3dmk n GLY 43 N 0.39 1.80 3.78 7.15 0.00 -0.35 -5.12 105.19 112.85 3dmk n GLY 43 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 3dmk n GLY 43 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3dmk s THR 44 N -1.73 3.31 0.03 2.61 -1.32 -1.26 -4.71 115.64 112.58 3dmk s THR 44 Ca 0.00 0.89 -0.30 0.00 -1.21 0.00 0.00 61.69 61.07 3dmk s THR 44 Cb 0.00 -3.40 -0.05 0.00 -1.51 0.00 0.00 72.50 67.54 3dmk s THR 44 CO 0.00 -0.11 1.15 0.00 -2.21 0.00 0.00 174.62 173.45 3dmk s ALA 45 N -1.72 3.35 0.27 11.08 0.00 -1.26 -0.15 121.76 133.33 3dmk s ALA 45 Ca 0.67 0.75 -0.29 0.00 0.00 0.00 0.00 51.96 53.09 3dmk s ALA 45 Cb -0.24 -3.43 -0.09 0.00 0.00 0.00 0.00 23.12 19.36 3dmk s ALA 45 CO 0.28 -0.43 1.20 0.14 0.00 0.00 0.00 175.76 176.96 3dmk s VAL 46 N 1.18 3.22 0.11 0.00 -7.23 0.74 -4.84 120.40 113.59 3dmk s VAL 46 Ca 0.57 1.18 0.01 0.00 -1.81 0.00 0.00 61.98 61.93 3dmk s VAL 46 Cb -0.27 -3.75 0.02 0.00 0.56 0.00 0.00 36.38 32.94 3dmk s VAL 46 CO 0.28 0.26 0.15 0.61 -0.31 0.00 0.00 175.10 176.09 3dmk n GLY 47 N 1.33 1.67 3.95 2.32 0.00 -1.26 -4.78 105.19 108.42 3dmk n GLY 47 Ca 0.01 -2.11 -0.24 0.00 0.00 0.00 0.00 46.02 43.68 3dmk n GLY 47 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3dmk s ASP 48 N -1.68 6.33 -0.30 1.61 -0.00 -1.26 -4.85 116.67 116.52 3dmk s ASP 48 Ca 0.11 0.19 -0.02 0.00 -0.00 0.00 0.00 52.55 52.83 3dmk s ASP 48 Cb -0.01 -1.92 0.12 0.00 -0.00 0.00 0.00 42.92 41.11 3dmk s ASP 48 CO 0.07 -0.04 0.20 -0.69 -0.00 0.00 0.00 175.17 174.71 3dmk s VAL 49 N -1.91 -0.14 -0.34 -1.27 1.01 0.81 -5.00 120.40 113.56 3dmk s VAL 49 Ca 0.35 -0.85 -0.37 0.00 0.00 0.00 0.00 61.98 61.11 3dmk s VAL 49 Cb -0.10 -0.98 -0.13 0.00 0.00 0.00 0.00 36.38 35.17 3dmk s VAL 49 CO 0.29 -0.70 2.09 -2.65 0.00 0.00 0.00 175.10 174.14 3dmk n PRO 50 N 5.03 1.00 0.00 2.72 -0.02 -1.26 -1.01 135.00 141.46 3dmk n PRO 50 Ca -0.01 0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 3dmk n PRO 50 Cb 0.42 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 3dmk n PRO 50 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dmk n GLY 51 N 6.16 3.08 0.14 -1.23 0.00 -1.26 -4.86 105.19 107.22 3dmk n GLY 51 Ca 0.40 -1.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.13 3dmk n GLY 51 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3dmk n LEU 52 N 0.00 1.95 -3.80 0.99 4.77 -0.18 -4.50 117.00 116.23 3dmk n LEU 52 Ca 0.00 0.35 -0.17 0.00 -0.03 0.00 0.00 56.01 56.16 3dmk n LEU 52 Cb 0.00 -0.83 -0.16 0.00 -2.33 0.00 0.00 43.42 40.10 3dmk n LEU 52 CO 0.00 0.53 -0.37 -0.60 -1.33 0.00 0.00 177.39 175.62 3dmk s ARG 53 N -2.51 0.20 -0.03 3.23 3.52 -0.46 -3.69 118.95 119.22 3dmk s ARG 53 Ca -0.38 0.12 0.02 0.00 -0.13 0.00 0.00 55.73 55.36 3dmk s ARG 53 Cb 0.14 -0.44 0.01 0.00 -1.56 0.00 0.00 34.95 33.10 3dmk s ARG 53 CO 0.50 -0.16 -0.06 -0.65 -0.81 0.00 0.00 175.30 174.12 3dmk s GLN 54 N 1.13 0.70 -0.38 5.12 -0.21 -0.04 -0.13 119.66 125.86 3dmk s GLN 54 Ca -0.08 -0.17 -0.19 0.00 0.02 0.00 0.00 55.36 54.94 3dmk s GLN 54 Cb -0.13 -0.70 0.01 0.00 1.00 0.00 0.00 33.01 33.19 3dmk s GLN 54 CO -0.02 0.03 0.53 0.42 -2.12 0.00 0.00 175.29 174.12 3dmk s ILE 55 N 0.42 4.99 0.08 1.08 1.01 -1.26 -0.59 121.20 126.92 3dmk s ILE 55 Ca -0.05 0.18 0.01 0.00 0.00 0.00 0.00 60.65 60.79 3dmk s ILE 55 Cb -0.09 -4.03 0.01 0.00 0.01 0.00 0.00 42.46 38.36 3dmk s ILE 55 CO 0.00 -0.33 0.08 -0.24 0.00 0.00 0.00 174.94 174.45 3dmk n SER 56 N 5.83 0.77 -4.62 3.58 2.88 0.01 -5.01 113.62 117.06 3dmk n SER 56 Ca -0.04 -1.23 -0.29 0.00 -1.33 0.00 0.00 58.87 55.98 3dmk n SER 56 Cb 0.48 -0.03 0.17 0.00 -0.75 0.00 0.00 64.21 64.09 3dmk n SER 56 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 3dmk s SER 57 N -1.46 2.69 -1.63 -3.46 0.01 -1.26 -3.78 113.70 104.82 3dmk s SER 57 Ca 0.06 1.03 0.00 0.00 1.31 0.00 0.00 55.95 58.35 3dmk s SER 57 Cb -0.00 -1.62 0.00 0.00 0.21 0.00 0.00 66.02 64.60 3dmk s SER 57 CO 0.04 -3.07 0.00 -0.67 0.41 0.00 0.00 173.24 169.95 3dmk n ASP 58 N -4.12 -4.95 -2.61 2.44 4.64 -1.26 -1.16 116.55 109.54 3dmk n ASP 58 Ca 0.06 0.20 -0.21 0.00 -1.38 0.00 0.00 54.79 53.46 3dmk n ASP 58 Cb 0.58 -4.25 0.00 0.00 -1.04 0.00 0.00 41.12 36.42 3dmk n ASP 58 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3dmk n GLY 59 N -0.72 -0.51 3.55 0.27 0.00 -1.26 -4.40 105.19 102.13 3dmk n GLY 59 Ca -0.20 0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 3dmk n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dmk s LYS 60 N -5.26 3.54 -0.31 1.61 1.02 -0.31 -1.89 119.74 118.15 3dmk s LYS 60 Ca 0.10 -0.08 -0.20 0.00 0.02 0.00 0.00 55.97 55.82 3dmk s LYS 60 Cb -0.04 -3.86 -0.01 0.00 -0.52 0.00 0.00 37.83 33.39 3dmk s LYS 60 CO 0.12 -0.85 0.60 -1.17 -0.92 0.00 0.00 175.35 173.13 3dmk s LEU 61 N 2.81 4.16 -0.14 3.17 2.96 -0.19 -0.81 118.68 130.64 3dmk s LEU 61 Ca 0.25 0.37 -0.03 0.00 -0.22 0.00 0.00 54.13 54.50 3dmk s LEU 61 Cb -0.14 -2.76 -0.03 0.00 0.50 0.00 0.00 46.19 43.76 3dmk s LEU 61 CO 0.17 -0.45 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.01 3dmk s VAL 62 N 2.54 3.85 -0.56 1.68 1.01 0.25 -0.97 120.40 128.21 3dmk s VAL 62 Ca 0.24 -0.38 0.00 0.00 0.00 0.00 0.00 61.98 61.84 3dmk s VAL 62 Cb -0.15 -2.66 0.14 0.00 0.00 0.00 0.00 36.38 33.71 3dmk s VAL 62 CO 0.12 0.52 0.33 -0.36 0.00 0.00 0.00 175.10 175.71 3dmk s PHE 63 N 0.09 3.35 0.97 5.22 0.08 0.65 -0.86 117.98 127.48 3dmk s PHE 63 Ca -0.01 -2.91 -0.12 0.00 0.12 0.00 0.00 56.93 54.01 3dmk s PHE 63 Cb -0.14 -3.03 0.17 0.00 -0.57 0.00 0.00 43.02 39.45 3dmk s PHE 63 CO 0.03 -0.81 1.10 -2.14 -0.10 0.00 0.00 175.22 173.30 3dmk s PRO 64 N -0.05 0.68 0.69 0.24 0.02 -1.24 -0.86 135.00 134.48 3dmk s PRO 64 Ca 0.16 0.49 -0.17 0.00 0.02 0.00 0.00 61.00 61.50 3dmk s PRO 64 Cb -0.23 -1.77 0.01 0.00 0.02 0.00 0.00 34.50 32.53 3dmk s PRO 64 CO -0.02 -2.56 1.17 -2.30 -0.33 0.00 0.00 177.00 172.96 3dmk n PRO 65 N -4.05 0.79 -3.88 5.54 -0.02 -1.26 -4.75 135.00 127.37 3dmk n PRO 65 Ca 0.06 0.33 -0.07 0.00 -2.02 0.00 0.00 63.50 61.79 3dmk n PRO 65 Cb 0.57 -2.41 -0.03 0.00 -0.02 0.00 0.00 33.50 31.62 3dmk n PRO 65 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 3dmk s PHE 66 N -1.62 -0.10 0.24 6.00 -0.12 0.21 -4.94 117.98 117.65 3dmk s PHE 66 Ca 0.78 -0.34 0.03 0.00 -0.05 0.00 0.00 56.93 57.35 3dmk s PHE 66 Cb -0.36 0.62 -0.03 0.00 -0.63 0.00 0.00 43.02 42.62 3dmk s PHE 66 CO 0.45 -1.20 0.38 1.03 -0.05 0.00 0.00 175.22 175.83 3dmk s ARG 67 N -3.94 3.45 0.17 1.99 0.52 -1.26 -4.35 118.95 115.53 3dmk s ARG 67 Ca 0.13 -0.63 -0.19 0.00 -0.52 0.00 0.00 55.73 54.52 3dmk s ARG 67 Cb -0.05 -2.86 0.09 0.00 0.52 0.00 0.00 34.95 32.64 3dmk s ARG 67 CO 0.07 0.40 1.64 0.00 0.02 0.00 0.00 175.30 177.43 3dmk h ALA 68 N 1.36 0.10 -0.87 2.13 0.00 -1.98 0.12 119.26 120.12 3dmk h ALA 68 Ca -0.51 0.14 0.21 0.00 0.00 0.00 0.00 54.91 54.74 3dmk h ALA 68 Cb 1.22 0.45 -0.06 0.00 0.00 0.00 0.00 17.79 19.40 3dmk h ALA 68 CO 0.63 -0.56 0.59 1.05 0.00 0.00 0.00 179.25 180.96 3dmk h GLU 69 N -0.12 0.31 0.00 0.00 4.11 -2.06 -0.64 114.58 116.18 3dmk h GLU 69 Ca 0.19 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.60 3dmk h GLU 69 Cb 0.41 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.59 3dmk h GLU 69 CO -0.45 0.20 0.00 -0.25 0.07 0.00 0.00 179.01 178.58 3dmk n ASP 70 N -4.46 0.47 -4.74 3.06 8.00 0.41 -4.87 116.55 114.42 3dmk n ASP 70 Ca 0.18 0.56 -0.42 0.00 0.71 0.00 0.00 54.79 55.83 3dmk n ASP 70 Cb 0.73 -0.68 -0.02 0.00 -0.02 0.00 0.00 41.12 41.12 3dmk n ASP 70 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 3dmk s TYR 71 N -3.09 2.83 -0.07 1.24 5.04 -0.25 -4.94 117.35 118.10 3dmk s TYR 71 Ca 0.10 0.63 -0.03 0.00 -2.44 0.00 0.00 57.07 55.34 3dmk s TYR 71 Cb 0.14 -4.08 0.04 0.00 0.35 0.00 0.00 41.96 38.41 3dmk s TYR 71 CO 0.51 -3.79 0.12 1.03 -1.34 0.00 0.00 175.55 172.08 3dmk s ARG 72 N 0.15 -0.01 0.21 4.97 0.52 -1.26 -5.05 118.95 118.48 3dmk s ARG 72 Ca 0.67 0.46 -0.15 0.00 -0.52 0.00 0.00 55.73 56.20 3dmk s ARG 72 Cb -0.48 -0.44 0.23 0.00 0.52 0.00 0.00 34.95 34.78 3dmk s ARG 72 CO 0.42 -0.34 1.61 0.37 0.02 0.00 0.00 175.30 177.38 3dmk h GLN 73 N 8.40 -0.04 -1.15 3.54 4.15 -1.94 0.13 115.11 128.20 3dmk h GLN 73 Ca -0.13 0.00 0.36 0.00 0.77 0.00 0.00 58.65 59.65 3dmk h GLN 73 Cb 1.12 0.01 -0.13 0.00 0.21 0.00 0.00 27.48 28.69 3dmk h GLN 73 CO 0.15 -0.02 0.72 1.05 -1.93 0.00 0.00 178.83 178.80 3dmk h GLU 74 N -0.04 0.22 0.00 1.69 4.11 -1.97 -1.41 114.58 117.18 3dmk h GLU 74 Ca 0.30 -0.01 -0.40 0.00 0.07 0.00 0.00 59.36 59.32 3dmk h GLU 74 Cb 0.51 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.64 3dmk h GLU 74 CO -0.69 0.15 -2.36 0.28 0.07 0.00 0.00 179.01 176.46 3dmk n VAL 75 N -4.79 1.34 1.26 -1.06 0.31 -0.11 -4.66 118.33 110.62 3dmk n VAL 75 Ca 0.33 -0.37 0.12 0.00 -0.01 0.00 0.00 64.34 64.40 3dmk n VAL 75 Cb 1.16 -1.73 0.41 0.00 -0.91 0.00 0.00 33.84 32.77 3dmk n VAL 75 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 3dmk n HIS 76 N -3.92 0.15 -3.07 3.52 8.25 0.26 -4.29 115.22 116.13 3dmk n HIS 76 Ca -0.47 -0.08 -0.19 0.00 -0.26 0.00 0.00 57.72 56.73 3dmk n HIS 76 Cb 0.86 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.94 3dmk n HIS 76 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3dmk n ALA 77 N 0.37 1.36 -2.46 -1.41 0.00 -0.54 0.05 120.51 117.88 3dmk n ALA 77 Ca 0.17 -2.87 -0.09 0.00 0.00 0.00 0.00 53.44 50.66 3dmk n ALA 77 Cb 0.36 -0.96 -0.10 0.00 0.00 0.00 0.00 19.45 18.74 3dmk n ALA 77 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3dmk s GLN 78 N -0.93 0.53 -0.60 0.00 2.00 -0.54 -4.78 119.66 115.33 3dmk s GLN 78 Ca 0.34 -0.99 -0.17 0.00 -2.00 0.00 0.00 55.36 52.55 3dmk s GLN 78 Cb 0.22 0.10 0.13 0.00 0.80 0.00 0.00 33.01 34.26 3dmk s GLN 78 CO -0.13 -0.07 0.61 0.08 -0.50 0.00 0.00 175.29 175.29 3dmk s VAL 79 N -2.86 5.12 0.40 1.34 1.01 -1.26 -1.32 120.40 122.82 3dmk s VAL 79 Ca -0.02 -1.46 0.04 0.00 0.00 0.00 0.00 61.98 60.55 3dmk s VAL 79 Cb 0.00 -4.42 -0.00 0.00 0.00 0.00 0.00 36.38 31.97 3dmk s VAL 79 CO -0.06 -0.99 0.57 -0.31 0.00 0.00 0.00 175.10 174.32 3dmk s TYR 80 N 1.81 3.09 -0.26 5.22 2.02 -0.20 -1.68 117.35 127.34 3dmk s TYR 80 Ca 0.08 -0.08 -0.22 0.00 -0.37 0.00 0.00 57.07 56.49 3dmk s TYR 80 Cb -0.25 -2.21 0.07 0.00 -0.40 0.00 0.00 41.96 39.17 3dmk s TYR 80 CO 0.02 -0.25 0.68 0.00 -1.57 0.00 0.00 175.55 174.43 3dmk s ALA 81 N -2.37 -1.73 -0.02 3.71 0.00 -0.20 -0.55 121.76 120.60 3dmk s ALA 81 Ca 0.48 2.05 -0.24 0.00 0.00 0.00 0.00 51.96 54.26 3dmk s ALA 81 Cb -0.10 -1.20 -0.05 0.00 0.00 0.00 0.00 23.12 21.78 3dmk s ALA 81 CO 0.34 -0.34 0.72 0.00 0.00 0.00 0.00 175.76 176.48 3dmk s LEU 83 N 0.36 3.66 -0.09 0.00 2.96 0.27 0.90 118.68 126.75 3dmk s LEU 83 Ca 0.37 -1.55 -0.10 0.00 -0.22 0.00 0.00 54.13 52.64 3dmk s LEU 83 Cb -0.19 -1.54 -0.05 0.00 0.50 0.00 0.00 46.19 44.91 3dmk s LEU 83 CO 0.20 -0.23 0.24 0.00 -1.32 0.00 0.00 176.35 175.24 3dmk s ALA 84 N 1.08 3.78 -0.25 5.97 0.00 -0.15 -0.80 121.76 131.39 3dmk s ALA 84 Ca -0.05 -0.49 -0.23 0.00 0.00 0.00 0.00 51.96 51.19 3dmk s ALA 84 Cb -0.20 -2.16 0.06 0.00 0.00 0.00 0.00 23.12 20.83 3dmk s ALA 84 CO -0.06 0.49 0.65 0.50 0.00 0.00 0.00 175.76 177.35 3dmk s ARG 85 N -0.80 0.76 0.40 0.00 3.52 -0.33 -0.79 118.95 121.70 3dmk s ARG 85 Ca 0.17 0.91 0.04 0.00 -0.13 0.00 0.00 55.73 56.72 3dmk s ARG 85 Cb -0.13 0.37 -0.05 0.00 -1.56 0.00 0.00 34.95 33.58 3dmk s ARG 85 CO 0.07 -0.09 0.05 0.54 -0.81 0.00 0.00 175.30 175.06 3dmk s ASN 86 N 0.35 3.10 0.66 -2.12 2.20 -0.07 -0.54 114.94 118.53 3dmk s ASN 86 Ca -0.00 -1.49 0.33 0.00 -0.94 0.00 0.00 52.86 50.76 3dmk s ASN 86 Cb -0.05 0.09 1.79 0.00 -2.00 0.00 0.00 41.25 41.08 3dmk s ASN 86 CO 0.01 -0.69 2.01 0.06 -2.94 0.00 0.00 177.10 175.54 3dmk h GLN 87 N 1.83 0.00 0.10 3.55 -0.00 -1.94 -0.16 115.11 118.50 3dmk h GLN 87 Ca -0.41 0.00 -0.26 0.00 -0.00 0.00 0.00 58.65 57.98 3dmk h GLN 87 Cb 1.26 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.75 3dmk h GLN 87 CO 0.70 0.00 -1.18 0.35 -0.00 0.00 0.00 178.83 178.70 3dmk h PHE 88 N 0.00 0.52 0.00 0.06 3.04 -1.93 -3.50 116.94 115.13 3dmk h PHE 88 Ca 0.00 -0.35 0.00 0.00 3.98 0.00 0.00 57.97 61.60 3dmk h PHE 88 Cb 0.53 -0.03 0.00 0.00 2.56 0.00 0.00 35.95 39.01 3dmk h PHE 88 CO 0.00 1.25 0.00 0.41 -2.02 0.00 0.00 178.31 177.95 3dmk n GLY 89 N 1.40 -1.29 3.12 2.40 0.00 -0.07 -4.74 105.19 106.01 3dmk n GLY 89 Ca -0.08 -1.02 -0.19 0.00 0.00 0.00 0.00 46.02 44.74 3dmk n GLY 89 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3dmk s SER 90 N -0.63 1.48 -0.09 1.61 0.01 -1.26 -0.89 113.70 113.92 3dmk s SER 90 Ca 0.00 -0.45 -0.04 0.00 1.31 0.00 0.00 55.95 56.77 3dmk s SER 90 Cb 0.00 -0.08 0.05 0.00 0.21 0.00 0.00 66.02 66.20 3dmk s SER 90 CO 0.00 -0.00 0.20 0.27 0.41 0.00 0.00 173.24 174.12 3dmk s ILE 91 N -0.89 -0.14 -0.16 1.44 -4.36 0.03 -4.03 121.20 113.09 3dmk s ILE 91 Ca -0.00 0.21 -0.07 0.00 -0.26 0.00 0.00 60.65 60.53 3dmk s ILE 91 Cb -0.08 -0.33 -0.04 0.00 1.25 0.00 0.00 42.46 43.26 3dmk s ILE 91 CO 0.01 0.09 0.08 0.27 0.24 0.00 0.00 174.94 175.63 3dmk s ILE 92 N 1.59 4.98 1.19 8.37 -4.36 -1.26 -0.98 121.20 130.73 3dmk s ILE 92 Ca -0.06 0.03 -0.19 0.00 -0.26 0.00 0.00 60.65 60.18 3dmk s ILE 92 Cb -0.11 -3.22 0.28 0.00 1.25 0.00 0.00 42.46 40.66 3dmk s ILE 92 CO -0.07 0.51 1.10 -0.94 0.24 0.00 0.00 174.94 175.78 3dmk s SER 93 N -0.08 1.01 1.07 4.36 1.04 0.26 -4.99 113.70 116.37 3dmk s SER 93 Ca 0.08 0.71 -0.12 0.00 0.48 0.00 0.00 55.95 57.09 3dmk s SER 93 Cb -0.12 -1.01 0.23 0.00 0.10 0.00 0.00 66.02 65.23 3dmk s SER 93 CO 0.01 -4.08 1.07 0.00 0.98 0.00 0.00 173.24 171.22 3dmk s ARG 94 N -5.33 -0.19 0.21 4.02 1.70 -1.26 -4.74 118.95 113.35 3dmk s ARG 94 Ca 0.70 1.06 -0.30 0.00 -0.47 0.00 0.00 55.73 56.73 3dmk s ARG 94 Cb -0.11 -1.62 -0.09 0.00 -0.57 0.00 0.00 34.95 32.56 3dmk s ARG 94 CO 0.56 -3.30 1.28 -0.51 -1.08 0.00 0.00 175.30 172.25 3dmk s ASP 95 N -2.62 6.93 -0.30 -2.89 1.11 -1.26 -4.51 116.67 113.13 3dmk s ASP 95 Ca 0.68 2.39 -0.03 0.00 0.18 0.00 0.00 52.55 55.77 3dmk s ASP 95 Cb -0.24 -2.61 0.04 0.00 1.07 0.00 0.00 42.92 41.18 3dmk s ASP 95 CO 0.62 -0.48 0.01 -0.69 1.18 0.00 0.00 175.17 175.81 3dmk s VAL 96 N -0.10 3.15 -0.41 -1.27 1.01 0.29 -4.44 120.40 118.62 3dmk s VAL 96 Ca 0.55 -1.26 -0.26 0.00 0.00 0.00 0.00 61.98 61.00 3dmk s VAL 96 Cb -0.36 -2.77 0.02 0.00 0.00 0.00 0.00 36.38 33.27 3dmk s VAL 96 CO 0.39 -0.07 0.96 -1.00 0.00 0.00 0.00 175.10 175.38 3dmk s HIS 97 N 1.30 2.99 -0.27 5.22 3.76 -0.12 -1.03 115.29 127.14 3dmk s HIS 97 Ca -0.04 0.65 -0.13 0.00 -0.15 0.00 0.00 55.06 55.39 3dmk s HIS 97 Cb -0.19 -3.86 -0.05 0.00 1.11 0.00 0.00 32.58 29.59 3dmk s HIS 97 CO -0.01 -0.97 0.26 0.08 -0.85 0.00 0.00 174.74 173.25 3dmk s VAL 98 N 3.70 5.27 -0.44 -0.90 1.01 -0.44 -1.15 120.40 127.45 3dmk s VAL 98 Ca 0.39 0.34 0.02 0.00 0.00 0.00 0.00 61.98 62.73 3dmk s VAL 98 Cb -0.11 -3.59 0.13 0.00 0.00 0.00 0.00 36.38 32.81 3dmk s VAL 98 CO 0.23 0.23 0.24 -0.60 0.00 0.00 0.00 175.10 175.20 3dmk s ARG 99 N 1.74 1.30 0.05 2.72 3.52 -0.16 -1.47 118.95 126.65 3dmk s ARG 99 Ca 0.10 -2.01 -0.29 0.00 -0.13 0.00 0.00 55.73 53.40 3dmk s ARG 99 Cb -0.15 -2.36 -0.04 0.00 -1.56 0.00 0.00 34.95 30.83 3dmk s ARG 99 CO 0.10 -1.16 0.95 0.00 -0.81 0.00 0.00 175.30 174.38 3dmk s ALA 100 N 0.35 3.21 -0.12 6.12 0.00 0.11 -1.94 121.76 129.49 3dmk s ALA 100 Ca 0.17 0.53 -0.00 0.00 0.00 0.00 0.00 51.96 52.66 3dmk s ALA 100 Cb -0.25 -3.28 0.02 0.00 0.00 0.00 0.00 23.12 19.62 3dmk s ALA 100 CO 0.00 -0.13 -0.10 0.08 0.00 0.00 0.00 175.76 175.62 3dmk s VAL 101 N 0.53 1.17 0.11 0.00 1.01 0.55 -4.73 120.40 119.05 3dmk s VAL 101 Ca 0.49 -0.39 -0.31 0.00 0.00 0.00 0.00 61.98 61.77 3dmk s VAL 101 Cb -0.22 -1.16 -0.08 0.00 0.00 0.00 0.00 36.38 34.93 3dmk s VAL 101 CO 0.28 0.39 1.41 -0.69 0.00 0.00 0.00 175.10 176.49 3dmk s VAL 102 N 1.59 3.27 -0.66 2.92 1.01 -1.26 -3.20 120.40 124.07 3dmk s VAL 102 Ca 0.04 0.90 -0.26 0.00 0.00 0.00 0.00 61.98 62.66 3dmk s VAL 102 Cb -0.13 -3.58 -0.12 0.00 0.00 0.00 0.00 36.38 32.56 3dmk s VAL 102 CO -0.08 0.06 2.43 0.00 0.00 0.00 0.00 175.10 177.52 3dmk n ALA 103 N 4.09 0.62 -2.75 5.51 0.00 -1.26 -4.90 120.51 121.81 3dmk n ALA 103 Ca 0.12 -1.00 -0.23 0.00 0.00 0.00 0.00 53.44 52.33 3dmk n ALA 103 Cb 0.42 -3.09 -0.06 0.00 0.00 0.00 0.00 19.45 16.72 3dmk n ALA 103 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3dmk s GLN 104 N 8.49 2.67 0.33 0.00 0.74 -1.26 -5.07 119.66 125.56 3dmk s GLN 104 Ca 1.03 -1.18 -0.26 0.00 0.05 0.00 0.00 55.36 55.00 3dmk s GLN 104 Cb -0.32 -2.41 -0.10 0.00 1.10 0.00 0.00 33.01 31.29 3dmk s GLN 104 CO 0.25 0.39 0.97 -0.47 -0.55 0.00 0.00 175.29 175.89 3dmk s TYR 105 N -2.16 3.64 -0.02 1.67 5.04 -1.26 -5.08 117.35 119.17 3dmk s TYR 105 Ca 0.32 1.76 -0.11 0.00 -2.44 0.00 0.00 57.07 56.61 3dmk s TYR 105 Cb -0.08 -2.98 0.01 0.00 0.35 0.00 0.00 41.96 39.27 3dmk s TYR 105 CO 0.23 0.05 0.23 1.52 -1.34 0.00 0.00 175.55 176.23 3dmk s TYR 106 N -1.57 -0.11 -0.08 4.97 -0.85 -1.26 -5.14 117.35 113.32 3dmk s TYR 106 Ca 0.50 0.19 -0.00 0.00 -0.52 0.00 0.00 57.07 57.24 3dmk s TYR 106 Cb -0.20 0.04 0.02 0.00 0.38 0.00 0.00 41.96 42.20 3dmk s TYR 106 CO 0.26 -0.30 -0.04 -1.83 -1.52 0.00 0.00 175.55 172.12 3dmk s GLU 107 N -1.07 0.99 0.37 -3.49 -1.05 -1.26 -5.08 118.70 108.10 3dmk s GLU 107 Ca -0.11 -0.07 -0.25 0.00 -0.15 0.00 0.00 54.97 54.39 3dmk s GLU 107 Cb -0.06 -1.16 -0.09 0.00 -0.44 0.00 0.00 34.13 32.38 3dmk s GLU 107 CO 0.02 -0.23 1.01 0.00 0.95 0.00 0.00 175.26 177.01 3dmk s ALA 108 N 1.62 3.15 0.14 -0.84 0.00 -1.26 -4.70 121.76 119.88 3dmk s ALA 108 Ca 0.01 0.64 0.09 0.00 0.00 0.00 0.00 51.96 52.70 3dmk s ALA 108 Cb -0.13 -3.24 -0.04 0.00 0.00 0.00 0.00 23.12 19.71 3dmk s ALA 108 CO -0.05 -0.06 -0.15 -0.51 0.00 0.00 0.00 175.76 174.99 3dmk s ASP 109 N -1.56 4.02 -0.16 0.00 1.01 -0.00 -0.47 116.67 119.51 3dmk s ASP 109 Ca 0.54 -0.57 -0.02 0.00 0.71 0.00 0.00 52.55 53.21 3dmk s ASP 109 Cb -0.21 -0.61 0.05 0.00 1.01 0.00 0.00 42.92 43.16 3dmk s ASP 109 CO 0.27 0.15 0.02 -0.69 0.21 0.00 0.00 175.17 175.12 3dmk s VAL 110 N -1.37 0.56 0.41 -1.27 1.01 -0.42 -0.63 120.40 118.69 3dmk s VAL 110 Ca 0.21 -0.38 0.08 0.00 0.00 0.00 0.00 61.98 61.88 3dmk s VAL 110 Cb -0.10 -0.93 0.01 0.00 0.00 0.00 0.00 36.38 35.36 3dmk s VAL 110 CO 0.12 -0.04 0.56 0.20 0.00 0.00 0.00 175.10 175.94 3dmk s ASN 111 N 1.86 5.67 0.24 3.32 0.01 -1.26 -1.11 114.94 123.68 3dmk s ASN 111 Ca 0.01 -0.41 -0.31 0.00 -0.71 0.00 0.00 52.86 51.44 3dmk s ASN 111 Cb -0.16 -0.70 -0.13 0.00 0.41 0.00 0.00 41.25 40.68 3dmk s ASN 111 CO -0.07 -0.74 1.51 0.29 -1.51 0.00 0.00 177.10 176.58 3dmk n LYS 112 N -1.83 2.32 -4.61 -0.60 5.02 -1.26 -4.11 118.16 113.09 3dmk n LYS 112 Ca 0.07 0.83 -0.33 0.00 -2.02 0.00 0.00 58.31 56.86 3dmk n LYS 112 Cb 0.59 -2.55 -0.16 0.00 -0.02 0.00 0.00 35.03 32.89 3dmk n LYS 112 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 3dmk s GLU 113 N -0.16 3.13 -0.14 1.97 2.56 0.13 -4.92 118.70 121.26 3dmk s GLU 113 Ca 0.69 -0.80 -0.14 0.00 0.00 0.00 0.00 54.97 54.72 3dmk s GLU 113 Cb -0.59 -2.53 -0.05 0.00 2.00 0.00 0.00 34.13 32.96 3dmk s GLU 113 CO 0.47 0.01 0.31 -1.01 -0.56 0.00 0.00 175.26 174.47 3dmk s HIS 114 N 0.79 3.49 0.02 5.30 3.76 -1.26 -0.64 115.29 126.75 3dmk s HIS 114 Ca -0.07 0.64 0.02 0.00 -0.15 0.00 0.00 55.06 55.51 3dmk s HIS 114 Cb -0.15 -2.33 -0.01 0.00 1.11 0.00 0.00 32.58 31.19 3dmk s HIS 114 CO -0.00 0.29 -0.08 0.14 -0.85 0.00 0.00 174.74 174.23 3dmk s VAL 115 N 0.30 0.60 -0.42 -0.90 -7.23 0.16 -4.94 120.40 107.97 3dmk s VAL 115 Ca 0.18 -0.61 -0.24 0.00 -1.81 0.00 0.00 61.98 59.49 3dmk s VAL 115 Cb -0.13 -0.56 0.02 0.00 0.56 0.00 0.00 36.38 36.26 3dmk s VAL 115 CO 0.05 -0.03 0.85 -0.63 -0.31 0.00 0.00 175.10 175.03 3dmk s ILE 116 N -0.61 4.61 -0.32 -0.62 1.01 -1.26 -0.80 121.20 123.22 3dmk s ILE 116 Ca -0.01 0.75 -0.29 0.00 0.00 0.00 0.00 60.65 61.10 3dmk s ILE 116 Cb -0.05 -4.33 -0.12 0.00 0.01 0.00 0.00 42.46 37.96 3dmk s ILE 116 CO 0.00 -0.65 1.15 -1.14 0.00 0.00 0.00 174.94 174.31 3dmk n ARG 117 N 6.78 0.00 0.00 2.79 0.63 -0.00 -1.11 116.66 125.75 3dmk n ARG 117 Ca 0.04 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.97 3dmk n ARG 117 Cb 0.48 -0.95 0.00 0.00 0.45 0.00 0.00 32.46 32.44 3dmk n ARG 117 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3dmk n GLY 118 N 3.44 3.28 3.67 5.14 0.00 -0.18 -4.78 105.19 115.75 3dmk n GLY 118 Ca 0.26 -1.08 -0.30 0.00 0.00 0.00 0.00 46.02 44.91 3dmk n GLY 118 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3dmk s ASN 119 N 0.00 2.95 0.12 1.61 0.02 -0.27 -4.06 114.94 115.32 3dmk s ASN 119 Ca 0.00 1.56 -0.10 0.00 -1.02 0.00 0.00 52.86 53.30 3dmk s ASN 119 Cb 0.00 -2.23 -0.06 0.00 0.02 0.00 0.00 41.25 38.98 3dmk s ASN 119 CO 0.00 -2.98 0.45 -0.44 0.02 0.00 0.00 177.10 174.16 3dmk s SER 120 N -3.18 6.66 0.12 -1.22 0.01 -1.26 -0.72 113.70 114.11 3dmk s SER 120 Ca 0.65 0.85 0.05 0.00 1.31 0.00 0.00 55.95 58.81 3dmk s SER 120 Cb -0.20 -2.20 -0.04 0.00 0.21 0.00 0.00 66.02 63.79 3dmk s SER 120 CO 0.58 0.11 0.03 0.00 0.41 0.00 0.00 173.24 174.37 3dmk s ALA 121 N -1.51 3.35 -0.32 1.44 0.00 0.92 -4.91 121.76 120.74 3dmk s ALA 121 Ca 0.37 -1.19 -0.00 0.00 0.00 0.00 0.00 51.96 51.14 3dmk s ALA 121 Cb -0.14 -1.20 0.10 0.00 0.00 0.00 0.00 23.12 21.89 3dmk s ALA 121 CO 0.20 0.62 0.10 0.08 0.00 0.00 0.00 175.76 176.75 3dmk s VAL 122 N -1.50 1.01 -0.30 0.00 1.01 -1.26 -0.34 120.40 119.02 3dmk s VAL 122 Ca 0.27 -1.51 -0.27 0.00 0.00 0.00 0.00 61.98 60.47 3dmk s VAL 122 Cb -0.11 -1.77 0.01 0.00 0.00 0.00 0.00 36.38 34.52 3dmk s VAL 122 CO 0.20 -0.68 0.97 -0.63 0.00 0.00 0.00 175.10 174.97 3dmk s ILE 123 N 1.52 4.63 -0.12 2.22 -1.09 0.60 -4.89 121.20 124.07 3dmk s ILE 123 Ca 0.10 1.59 -0.08 0.00 -2.23 0.00 0.00 60.65 60.03 3dmk s ILE 123 Cb -0.18 -4.31 -0.04 0.00 -1.58 0.00 0.00 42.46 36.35 3dmk s ILE 123 CO -0.23 -0.36 0.17 -0.54 -1.23 0.00 0.00 174.94 172.75 3dmk s LYS 124 N 3.36 3.63 -0.58 2.79 1.02 -1.26 -0.75 119.74 127.95 3dmk s LYS 124 Ca 0.41 -0.08 -0.17 0.00 0.02 0.00 0.00 55.97 56.15 3dmk s LYS 124 Cb -0.13 -3.24 0.13 0.00 -0.52 0.00 0.00 37.83 34.07 3dmk s LYS 124 CO 0.13 0.68 0.59 0.00 -0.92 0.00 0.00 175.35 175.83 3dmk s LEU 126 N 1.88 3.88 -0.09 0.00 1.43 0.20 -4.90 118.68 121.07 3dmk s LEU 126 Ca 0.07 1.31 -0.03 0.00 -1.03 0.00 0.00 54.13 54.45 3dmk s LEU 126 Cb -0.27 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.38 3dmk s LEU 126 CO 0.03 -1.13 0.03 -0.63 0.23 0.00 0.00 176.35 174.87 3dmk s ILE 127 N 4.62 4.52 -0.12 -0.59 1.01 -1.26 -0.82 121.20 128.55 3dmk s ILE 127 Ca 0.60 -0.17 -0.35 0.00 0.00 0.00 0.00 60.65 60.74 3dmk s ILE 127 Cb -0.19 -2.92 -0.12 0.00 0.01 0.00 0.00 42.46 39.25 3dmk s ILE 127 CO 0.25 0.60 1.89 -2.65 0.00 0.00 0.00 174.94 175.03 3dmk n PRO 128 N 2.15 2.03 -0.31 2.79 -0.02 -1.26 -4.83 135.00 135.55 3dmk n PRO 128 Ca -0.19 0.74 0.16 0.00 -2.02 0.00 0.00 63.50 62.19 3dmk n PRO 128 Cb 0.54 -2.59 0.34 0.00 -0.02 0.00 0.00 33.50 31.77 3dmk n PRO 128 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3dmk h SER 129 N 9.23 0.35 0.53 2.55 4.64 -1.99 0.10 113.55 128.95 3dmk h SER 129 Ca -0.48 0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 3dmk h SER 129 Cb 1.28 0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.51 3dmk h SER 129 CO 0.95 -0.04 0.00 2.22 -0.87 0.00 0.00 176.83 179.10 3dmk n PHE 130 N -5.06 0.55 0.29 4.77 1.16 -1.26 -1.84 117.46 116.07 3dmk n PHE 130 Ca 0.24 0.23 0.03 0.00 -1.87 0.00 0.00 57.45 56.08 3dmk n PHE 130 Cb 0.73 -0.87 0.01 0.00 -1.61 0.00 0.00 39.48 37.74 3dmk n PHE 130 CO 0.00 0.00 0.00 1.33 -1.87 0.00 0.00 176.76 176.22 3dmk n VAL 131 N -2.01 0.00 -0.36 1.97 0.24 0.25 -4.79 118.33 113.63 3dmk n VAL 131 Ca 0.02 -0.47 -0.04 0.00 -2.04 0.00 0.00 64.34 61.81 3dmk n VAL 131 Cb 0.17 1.11 -0.00 0.00 -1.47 0.00 0.00 33.84 33.65 3dmk n VAL 131 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3dmk n ALA 132 N 0.04 -0.26 -0.19 2.33 0.00 -0.63 -0.99 120.51 120.81 3dmk n ALA 132 Ca 0.03 0.88 0.30 0.00 0.00 0.00 0.00 53.44 54.65 3dmk n ALA 132 Cb 0.16 -0.32 0.69 0.00 0.00 0.00 0.00 19.45 19.97 3dmk n ALA 132 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3dmk h ASP 133 N 0.00 0.00 -0.05 0.00 5.19 -1.87 -0.15 116.42 119.54 3dmk h ASP 133 Ca 0.27 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.68 3dmk h ASP 133 Cb 0.50 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.01 3dmk h ASP 133 CO -0.90 0.00 0.00 0.49 -3.12 0.00 0.00 179.24 175.71 3dmk n PHE 134 N -3.81 0.06 -4.52 4.55 3.72 -0.16 -4.99 117.46 112.31 3dmk n PHE 134 Ca 0.20 -0.16 -0.23 0.00 -0.05 0.00 0.00 57.45 57.21 3dmk n PHE 134 Cb 1.16 -0.01 -0.16 0.00 -0.94 0.00 0.00 39.48 39.53 3dmk n PHE 134 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 3dmk s VAL 135 N -0.59 1.02 0.10 -4.37 1.01 -0.07 -0.21 120.40 117.29 3dmk s VAL 135 Ca 0.07 -0.44 -0.00 0.00 0.00 0.00 0.00 61.98 61.61 3dmk s VAL 135 Cb 0.04 -0.92 -0.04 0.00 0.00 0.00 0.00 36.38 35.46 3dmk s VAL 135 CO 0.06 0.32 0.01 -1.83 0.00 0.00 0.00 175.10 173.66 3dmk s GLU 136 N 0.50 0.82 0.26 2.72 -1.05 -0.72 -4.72 118.70 116.51 3dmk s GLU 136 Ca -0.10 -1.36 -0.30 0.00 -0.15 0.00 0.00 54.97 53.06 3dmk s GLU 136 Cb -0.13 0.14 -0.09 0.00 -0.44 0.00 0.00 34.13 33.60 3dmk s GLU 136 CO 0.02 -0.17 1.06 0.08 0.95 0.00 0.00 175.26 177.20 3dmk s VAL 137 N -3.92 3.65 -0.08 1.83 1.01 -1.26 -0.91 120.40 120.72 3dmk s VAL 137 Ca 0.17 1.65 -0.05 0.00 0.00 0.00 0.00 61.98 63.75 3dmk s VAL 137 Cb 0.07 -4.05 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 3dmk s VAL 137 CO -0.03 0.39 -0.12 0.52 0.00 0.00 0.00 175.10 175.86 3dmk n VAL 138 N 1.33 0.60 -3.53 2.92 0.31 0.10 -4.86 118.33 115.20 3dmk n VAL 138 Ca -0.01 -0.07 -0.16 0.00 -0.01 0.00 0.00 64.34 64.09 3dmk n VAL 138 Cb 0.45 -1.65 -0.05 0.00 -0.91 0.00 0.00 33.84 31.68 3dmk n VAL 138 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3dmk s SER 139 N -5.83 -0.57 0.06 4.52 1.04 -1.16 -4.36 113.70 107.39 3dmk s SER 139 Ca -0.12 0.46 0.01 0.00 0.48 0.00 0.00 55.95 56.78 3dmk s SER 139 Cb 0.04 0.53 -0.04 0.00 0.10 0.00 0.00 66.02 66.65 3dmk s SER 139 CO 0.16 -0.68 0.14 0.26 0.98 0.00 0.00 173.24 174.10 3dmk s TRP 140 N -1.84 3.35 -0.01 5.02 0.52 0.01 -0.89 118.94 125.09 3dmk s TRP 140 Ca -0.08 0.18 0.01 0.00 0.02 0.00 0.00 56.10 56.23 3dmk s TRP 140 Cb -0.01 -1.70 0.00 0.00 -1.15 0.00 0.00 33.47 30.62 3dmk s TRP 140 CO 0.04 0.56 -0.03 -1.01 0.02 0.00 0.00 176.95 176.53 3dmk s HIS 141 N -1.41 0.37 0.18 -1.98 3.76 -0.16 -0.99 115.29 115.07 3dmk s HIS 141 Ca 0.31 -0.06 0.05 0.00 -0.15 0.00 0.00 55.06 55.21 3dmk s HIS 141 Cb -0.12 -0.29 -0.04 0.00 1.11 0.00 0.00 32.58 33.24 3dmk s HIS 141 CO 0.23 -0.04 0.16 0.95 -0.85 0.00 0.00 174.74 175.18 3dmk s THR 142 N 0.20 4.53 0.38 1.30 -4.23 -0.45 -1.00 115.64 116.36 3dmk s THR 142 Ca -0.02 -1.11 0.33 0.00 -1.18 0.00 0.00 61.69 59.71 3dmk s THR 142 Cb -0.05 -3.34 0.35 0.00 1.34 0.00 0.00 72.50 70.81 3dmk s THR 142 CO -0.00 -0.15 2.11 -2.24 -0.54 0.00 0.00 174.62 173.79 3dmk h ASP 143 N 2.24 0.00 0.00 3.99 3.04 -1.60 0.05 116.42 124.13 3dmk h ASP 143 Ca -0.48 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.31 3dmk h ASP 143 Cb 1.21 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.50 3dmk h ASP 143 CO 0.63 0.07 0.00 -0.62 -2.04 0.00 0.00 179.24 177.28 3dmk n GLU 144 N -3.36 0.75 -3.04 4.15 1.02 -1.26 -4.90 120.64 113.99 3dmk n GLU 144 Ca -0.01 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 56.99 3dmk n GLU 144 Cb 0.23 -1.32 0.06 0.00 -0.02 0.00 0.00 31.44 30.39 3dmk n GLU 144 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3dmk n GLU 145 N -0.82 -2.60 -5.24 3.49 1.02 0.00 -5.06 120.64 111.43 3dmk n GLU 145 Ca 0.11 0.74 -0.31 0.00 -0.02 0.00 0.00 57.16 57.69 3dmk n GLU 145 Cb 0.05 -5.26 -0.16 0.00 -0.02 0.00 0.00 31.44 26.06 3dmk n GLU 145 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3dmk s GLU 146 N -4.37 2.20 -0.25 3.49 2.02 -1.25 -4.97 118.70 115.58 3dmk s GLU 146 Ca 0.32 -0.89 0.03 0.00 0.02 0.00 0.00 54.97 54.45 3dmk s GLU 146 Cb -0.04 -2.10 0.06 0.00 0.10 0.00 0.00 34.13 32.14 3dmk s GLU 146 CO 0.63 0.56 -0.12 -0.80 0.02 0.00 0.00 175.26 175.56 3dmk s ASN 147 N -0.60 4.33 -0.38 -0.19 0.02 -1.26 -1.34 114.94 115.52 3dmk s ASN 147 Ca 0.09 -1.32 -0.15 0.00 -1.02 0.00 0.00 52.86 50.47 3dmk s ASN 147 Cb -0.10 -1.55 0.00 0.00 0.02 0.00 0.00 41.25 39.62 3dmk s ASN 147 CO -0.00 -0.17 0.32 -0.31 0.02 0.00 0.00 177.10 176.95 3dmk s TYR 148 N 1.12 3.22 0.60 2.20 2.02 -0.16 -4.95 117.35 121.40 3dmk s TYR 148 Ca -0.07 -0.31 0.04 0.00 -0.37 0.00 0.00 57.07 56.35 3dmk s TYR 148 Cb -0.19 -2.63 0.08 0.00 -0.40 0.00 0.00 41.96 38.82 3dmk s TYR 148 CO -0.06 -0.50 0.83 -0.06 -1.57 0.00 0.00 175.55 174.19 3dmk s PHE 149 N 1.85 2.05 0.55 2.71 0.08 -1.26 -0.81 117.98 123.15 3dmk s PHE 149 Ca 0.08 -0.33 -0.16 0.00 0.12 0.00 0.00 56.93 56.63 3dmk s PHE 149 Cb -0.18 -2.65 -0.06 0.00 -0.57 0.00 0.00 43.02 39.56 3dmk s PHE 149 CO 0.11 -1.17 1.03 -2.14 -0.10 0.00 0.00 175.22 172.95 3dmk s PRO 150 N -4.81 3.60 0.00 0.24 0.02 -1.26 -4.33 135.00 128.45 3dmk s PRO 150 Ca 0.61 1.12 0.00 0.00 0.02 0.00 0.00 61.00 62.75 3dmk s PRO 150 Cb -0.07 -2.08 0.00 0.00 0.02 0.00 0.00 34.50 32.37 3dmk s PRO 150 CO 0.40 -0.57 0.00 0.41 -0.33 0.00 0.00 177.00 176.91 3dmk n GLY 151 N -1.17 0.57 3.58 0.52 0.00 -1.26 -5.05 105.19 102.38 3dmk n GLY 151 Ca 0.08 -1.65 -0.29 0.00 0.00 0.00 0.00 46.02 44.15 3dmk n GLY 151 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dmk s ALA 152 N -1.24 0.42 0.16 4.61 0.00 -1.26 -4.79 121.76 119.65 3dmk s ALA 152 Ca 0.00 -0.62 -0.29 0.00 0.00 0.00 0.00 51.96 51.05 3dmk s ALA 152 Cb 0.00 -3.02 -0.07 0.00 0.00 0.00 0.00 23.12 20.02 3dmk s ALA 152 CO 0.00 -3.47 0.92 -2.00 0.00 0.00 0.00 175.76 171.21 3dmk s GLU 153 N -5.08 4.74 0.13 0.00 2.12 -1.26 -4.81 118.70 114.53 3dmk s GLU 153 Ca 0.68 1.41 -0.25 0.00 0.36 0.00 0.00 54.97 57.18 3dmk s GLU 153 Cb -0.16 -3.33 -0.07 0.00 0.26 0.00 0.00 34.13 30.84 3dmk s GLU 153 CO 0.58 0.37 0.76 0.71 -0.54 0.00 0.00 175.26 177.14 3dmk s TYR 154 N -0.58 3.86 -0.36 5.30 1.51 -0.00 -4.31 117.35 122.76 3dmk s TYR 154 Ca 0.43 1.56 0.00 0.00 -1.01 0.00 0.00 57.07 58.05 3dmk s TYR 154 Cb -0.24 -2.76 0.00 0.00 -0.11 0.00 0.00 41.96 38.85 3dmk s TYR 154 CO 0.30 0.46 0.00 -0.25 -1.11 0.00 0.00 175.55 174.95 3dmk n ASP 155 N 1.91 -1.72 -2.65 2.29 8.00 -1.26 -0.12 116.55 123.00 3dmk n ASP 155 Ca -0.05 0.33 -0.13 0.00 0.71 0.00 0.00 54.79 55.64 3dmk n ASP 155 Cb 0.49 -1.65 -0.00 0.00 -0.02 0.00 0.00 41.12 39.94 3dmk n ASP 155 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3dmk n GLY 156 N -0.47 -0.50 2.00 0.44 0.00 -1.26 -4.73 105.19 100.68 3dmk n GLY 156 Ca -0.05 0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3dmk n GLY 156 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3dmk n LYS 157 N -2.98 0.00 -3.19 1.61 4.81 0.83 -4.94 118.16 114.30 3dmk n LYS 157 Ca -0.10 0.00 -0.39 0.00 -0.87 0.00 0.00 58.31 56.95 3dmk n LYS 157 Cb 0.59 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.58 3dmk n LYS 157 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 3dmk s TYR 158 N -2.00 3.62 -0.10 5.64 2.02 -0.98 -1.05 117.35 124.50 3dmk s TYR 158 Ca 0.00 1.14 -0.05 0.00 -0.37 0.00 0.00 57.07 57.80 3dmk s TYR 158 Cb 0.00 -2.64 0.05 0.00 -0.40 0.00 0.00 41.96 38.97 3dmk s TYR 158 CO 0.00 0.25 0.23 -1.17 -1.57 0.00 0.00 175.55 173.29 3dmk s LEU 159 N 0.23 0.27 -0.40 -1.29 2.96 -0.33 -0.82 118.68 119.30 3dmk s LEU 159 Ca 0.32 0.50 -0.26 0.00 -0.22 0.00 0.00 54.13 54.47 3dmk s LEU 159 Cb -0.17 0.66 0.02 0.00 0.50 0.00 0.00 46.19 47.19 3dmk s LEU 159 CO 0.16 -0.18 0.94 -0.69 -1.32 0.00 0.00 176.35 175.25 3dmk s VAL 160 N 1.55 4.54 0.60 1.68 1.01 -1.26 0.54 120.40 129.06 3dmk s VAL 160 Ca -0.06 1.07 -0.17 0.00 0.00 0.00 0.00 61.98 62.81 3dmk s VAL 160 Cb -0.11 -4.37 -0.03 0.00 0.00 0.00 0.00 36.38 31.87 3dmk s VAL 160 CO -0.08 -0.64 1.13 -0.76 0.00 0.00 0.00 175.10 174.75 3dmk s LEU 161 N 3.60 3.57 0.29 3.92 1.43 -0.17 -4.51 118.68 126.81 3dmk s LEU 161 Ca 0.38 2.14 0.03 0.00 -1.03 0.00 0.00 54.13 55.65 3dmk s LEU 161 Cb -0.11 -4.57 0.67 0.00 0.03 0.00 0.00 46.19 42.21 3dmk s LEU 161 CO 0.21 -1.48 1.75 -0.65 0.23 0.00 0.00 176.35 176.42 3dmk h PRO 162 N 0.62 0.61 0.00 1.29 0.11 -1.88 -0.20 132.00 132.55 3dmk h PRO 162 Ca -0.49 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3dmk h PRO 162 Cb 1.26 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3dmk h PRO 162 CO 0.55 0.40 0.00 -1.13 -0.21 0.00 0.00 178.00 177.62 3dmk n SER 163 N -4.87 0.00 0.00 -2.05 3.41 -1.26 -4.87 113.62 103.98 3dmk n SER 163 Ca 0.21 -1.31 0.00 0.00 -0.26 0.00 0.00 58.87 57.51 3dmk n SER 163 Cb 0.55 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.50 3dmk n SER 163 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3dmk n GLY 164 N 0.38 3.12 3.73 5.00 0.00 -0.09 -4.93 105.19 112.40 3dmk n GLY 164 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 3dmk n GLY 164 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dmk s GLU 165 N -0.69 1.74 -0.33 1.61 8.01 -1.25 -4.74 118.70 123.04 3dmk s GLU 165 Ca 0.00 1.24 -0.10 0.00 0.01 0.00 0.00 54.97 56.12 3dmk s GLU 165 Cb 0.00 -1.83 0.00 0.00 -4.31 0.00 0.00 34.13 27.99 3dmk s GLU 165 CO 0.00 -2.03 0.16 -1.17 0.01 0.00 0.00 175.26 172.24 3dmk s LEU 166 N -6.18 4.28 -0.45 1.80 2.96 0.07 -1.00 118.68 120.17 3dmk s LEU 166 Ca 0.63 -0.68 -0.17 0.00 -0.22 0.00 0.00 54.13 53.70 3dmk s LEU 166 Cb -0.19 -2.00 0.05 0.00 0.50 0.00 0.00 46.19 44.55 3dmk s LEU 166 CO 0.57 -0.25 0.44 -2.28 -1.32 0.00 0.00 176.35 173.50 3dmk s HIS 167 N 1.59 3.18 -0.35 5.38 5.65 0.19 -0.29 115.29 130.64 3dmk s HIS 167 Ca 0.04 -0.64 -0.17 0.00 0.25 0.00 0.00 55.06 54.54 3dmk s HIS 167 Cb -0.18 -3.06 -0.01 0.00 -1.18 0.00 0.00 32.58 28.15 3dmk s HIS 167 CO 0.06 -0.78 0.46 0.42 -0.65 0.00 0.00 174.74 174.25 3dmk s ILE 168 N 1.98 5.07 0.04 0.89 1.01 0.54 -1.18 121.20 129.55 3dmk s ILE 168 Ca 0.09 0.22 -0.30 0.00 0.00 0.00 0.00 60.65 60.66 3dmk s ILE 168 Cb -0.20 -3.92 -0.04 0.00 0.01 0.00 0.00 42.46 38.31 3dmk s ILE 168 CO 0.10 -0.18 0.96 -0.60 0.00 0.00 0.00 174.94 175.23 3dmk s ARG 169 N 2.26 4.61 -0.48 2.79 3.52 -0.21 -0.05 118.95 131.38 3dmk s ARG 169 Ca 0.16 1.41 -0.25 0.00 -0.13 0.00 0.00 55.73 56.92 3dmk s ARG 169 Cb -0.16 -3.43 0.04 0.00 -1.56 0.00 0.00 34.95 29.84 3dmk s ARG 169 CO 0.13 0.06 0.64 -1.91 -0.81 0.00 0.00 175.30 173.40 3dmk n GLU 170 N 3.46 -2.07 -2.39 5.12 2.13 -1.26 -4.86 120.64 120.77 3dmk n GLU 170 Ca 0.04 1.69 -0.42 0.00 0.66 0.00 0.00 57.16 59.13 3dmk n GLU 170 Cb 0.50 -3.78 -0.03 0.00 0.27 0.00 0.00 31.44 28.40 3dmk n GLU 170 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3dmk s VAL 171 N -2.12 3.93 0.17 6.31 1.01 0.10 -4.89 120.40 124.91 3dmk s VAL 171 Ca 0.29 1.39 0.04 0.00 0.00 0.00 0.00 61.98 63.69 3dmk s VAL 171 Cb -0.05 -3.89 -0.05 0.00 0.00 0.00 0.00 36.38 32.40 3dmk s VAL 171 CO 0.83 0.11 -0.08 -0.83 0.00 0.00 0.00 175.10 175.13 3dmk s GLY 172 N 1.06 1.18 0.25 4.51 0.00 -1.26 -1.01 107.32 112.05 3dmk s GLY 172 Ca 0.59 -1.56 0.03 0.00 0.00 0.00 0.00 44.72 43.79 3dmk s GLY 172 CO 0.29 -1.61 1.26 -1.05 0.00 0.00 0.00 173.10 172.00 3dmk n PRO 173 N -0.25 -0.06 0.00 2.90 -0.02 -1.26 -0.49 135.00 135.82 3dmk n PRO 173 Ca -0.09 1.20 0.00 0.00 -2.02 0.00 0.00 63.50 62.59 3dmk n PRO 173 Cb 0.61 -1.93 0.00 0.00 -0.02 0.00 0.00 33.50 32.17 3dmk n PRO 173 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 3dmk n GLU 174 N -5.12 0.00 0.00 -0.52 0.00 -1.26 -1.55 120.64 112.19 3dmk n GLU 174 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.36 3dmk n GLU 174 Cb 0.66 -1.44 0.00 0.00 0.00 0.00 0.00 31.44 30.65 3dmk n GLU 174 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3dmk n ASP 175 N -0.83 0.87 -0.15 -1.84 8.00 0.36 -4.59 116.55 118.37 3dmk n ASP 175 Ca 0.00 -1.18 0.15 0.00 0.71 0.00 0.00 54.79 54.47 3dmk n ASP 175 Cb 0.00 0.00 0.69 0.00 -0.02 0.00 0.00 41.12 41.79 3dmk n ASP 175 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3dmk n GLY 176 N -0.09 -0.78 0.08 0.44 0.00 -0.60 -3.85 105.19 100.40 3dmk n GLY 176 Ca 0.00 -0.28 -0.16 0.00 0.00 0.00 0.00 46.02 45.58 3dmk n GLY 176 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3dmk h TYR 177 N 0.75 0.12 -3.41 1.61 3.20 -1.81 -3.43 116.97 114.01 3dmk h TYR 177 Ca 0.00 -0.09 -0.52 0.00 3.14 0.00 0.00 58.73 61.26 3dmk h TYR 177 Cb 0.29 -0.00 0.03 0.00 1.54 0.00 0.00 36.73 38.58 3dmk h TYR 177 CO 0.00 1.09 0.61 0.15 -1.64 0.00 0.00 178.16 178.38 3dmk s LYS 178 N -2.27 4.43 -0.28 1.82 1.02 -1.25 -5.02 119.74 118.19 3dmk s LYS 178 Ca -0.18 1.97 -0.11 0.00 0.02 0.00 0.00 55.97 57.67 3dmk s LYS 178 Cb -0.02 -3.22 -0.05 0.00 -0.52 0.00 0.00 37.83 34.02 3dmk s LYS 178 CO 0.72 -0.19 0.20 -1.12 -0.92 0.00 0.00 175.35 174.03 3dmk s SER 179 N 0.31 6.04 -0.07 2.83 0.01 -1.26 -4.41 113.70 117.15 3dmk s SER 179 Ca 0.55 0.01 -0.07 0.00 1.31 0.00 0.00 55.95 57.76 3dmk s SER 179 Cb -0.35 -2.12 -0.04 0.00 0.21 0.00 0.00 66.02 63.72 3dmk s SER 179 CO 0.37 -0.05 0.19 -0.31 0.41 0.00 0.00 173.24 173.85 3dmk s TYR 180 N 1.75 3.60 -0.08 2.43 2.02 -0.03 -1.49 117.35 125.54 3dmk s TYR 180 Ca 0.08 0.54 -0.10 0.00 -0.37 0.00 0.00 57.07 57.22 3dmk s TYR 180 Cb -0.16 -1.96 0.02 0.00 -0.40 0.00 0.00 41.96 39.47 3dmk s TYR 180 CO 0.11 0.69 0.27 1.14 -1.57 0.00 0.00 175.55 176.19 3dmk s GLN 181 N -1.33 0.39 0.26 -0.62 -2.07 -0.17 -0.47 119.66 115.64 3dmk s GLN 181 Ca 0.20 0.24 -0.02 0.00 -1.82 0.00 0.00 55.36 53.96 3dmk s GLN 181 Cb -0.13 0.18 -0.04 0.00 -1.09 0.00 0.00 33.01 31.93 3dmk s GLN 181 CO 0.10 -0.07 0.48 0.00 -1.32 0.00 0.00 175.29 174.48 3dmk s ARG 183 N -3.55 2.88 0.13 0.00 3.52 -0.07 -0.70 118.95 121.16 3dmk s ARG 183 Ca 0.41 -0.91 0.04 0.00 -0.13 0.00 0.00 55.73 55.13 3dmk s ARG 183 Cb -0.11 -2.66 -0.04 0.00 -1.56 0.00 0.00 34.95 30.58 3dmk s ARG 183 CO 0.30 -0.28 0.13 0.95 -0.81 0.00 0.00 175.30 175.59 3dmk s THR 184 N 1.27 4.59 -0.07 4.11 -4.23 0.23 -0.73 115.64 120.82 3dmk s THR 184 Ca 0.02 -0.92 0.05 0.00 -1.18 0.00 0.00 61.69 59.66 3dmk s THR 184 Cb -0.14 -3.29 -0.00 0.00 1.34 0.00 0.00 72.50 70.40 3dmk s THR 184 CO -0.11 -0.02 -0.22 -0.75 -0.54 0.00 0.00 174.62 172.99 3dmk s LYS 185 N -2.84 2.45 -0.34 3.99 2.20 -0.09 -0.56 119.74 124.55 3dmk s LYS 185 Ca 0.31 -0.78 -0.23 0.00 -0.36 0.00 0.00 55.97 54.90 3dmk s LYS 185 Cb -0.11 -1.99 0.01 0.00 -1.51 0.00 0.00 37.83 34.22 3dmk s LYS 185 CO 0.23 0.25 0.79 -1.58 -0.36 0.00 0.00 175.35 174.69 3dmk s HIS 186 N 0.12 3.14 -1.70 4.03 5.65 -0.30 -1.76 115.29 124.47 3dmk s HIS 186 Ca -0.10 0.66 0.22 0.00 0.25 0.00 0.00 55.06 56.09 3dmk s HIS 186 Cb -0.15 -3.35 1.19 0.00 -1.18 0.00 0.00 32.58 29.09 3dmk s HIS 186 CO 0.05 -0.68 1.69 2.89 -0.65 0.00 0.00 174.74 178.04 3dmk n ARG 187 N 6.36 0.49 -0.09 2.88 1.85 0.70 -0.55 116.66 128.31 3dmk n ARG 187 Ca 0.03 0.04 -0.16 0.00 -1.00 0.00 0.00 57.85 56.77 3dmk n ARG 187 Cb 0.48 -1.50 -0.07 0.00 -1.05 0.00 0.00 32.46 30.32 3dmk n ARG 187 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 3dmk n LEU 188 N -1.15 1.90 0.08 2.89 4.77 -1.26 -4.70 117.00 119.53 3dmk n LEU 188 Ca 0.13 0.10 -0.06 0.00 -0.03 0.00 0.00 56.01 56.15 3dmk n LEU 188 Cb 0.12 -0.54 -0.05 0.00 -2.33 0.00 0.00 43.42 40.63 3dmk n LEU 188 CO 0.14 0.52 0.22 0.71 -1.33 0.00 0.00 177.39 177.66 3dmk h THR 189 N -0.39 1.64 0.00 -5.08 1.35 -1.92 -3.44 112.91 105.07 3dmk h THR 189 Ca -0.41 -3.08 0.00 0.00 -0.55 0.00 0.00 66.41 62.36 3dmk h THR 189 Cb 1.46 2.67 0.00 0.00 -1.73 0.00 0.00 68.15 70.55 3dmk h THR 189 CO -0.19 0.88 0.00 0.61 -0.25 0.00 0.00 175.52 176.57 3dmk n GLY 190 N 1.08 0.47 3.85 5.82 0.00 0.28 -5.05 105.19 111.65 3dmk n GLY 190 Ca -0.01 -0.89 -0.37 0.00 0.00 0.00 0.00 46.02 44.76 3dmk n GLY 190 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dmk s GLU 191 N -1.63 3.59 -0.23 1.61 2.02 -1.25 -4.90 118.70 117.92 3dmk s GLU 191 Ca 0.00 -0.13 -0.06 0.00 0.02 0.00 0.00 54.97 54.80 3dmk s GLU 191 Cb 0.00 -3.23 -0.02 0.00 0.10 0.00 0.00 34.13 30.97 3dmk s GLU 191 CO 0.00 0.69 0.02 0.95 0.02 0.00 0.00 175.26 176.94 3dmk s THR 192 N -0.77 3.98 0.04 3.63 -4.23 -1.26 -1.15 115.64 115.88 3dmk s THR 192 Ca 0.14 -0.29 0.06 0.00 -1.18 0.00 0.00 61.69 60.42 3dmk s THR 192 Cb -0.12 -2.83 -0.02 0.00 1.34 0.00 0.00 72.50 70.87 3dmk s THR 192 CO 0.03 0.39 -0.18 -0.13 -0.54 0.00 0.00 174.62 174.19 3dmk s ARG 193 N 1.38 1.16 0.60 3.99 0.52 0.28 -4.92 118.95 121.97 3dmk s ARG 193 Ca 0.05 -0.86 -0.13 0.00 -0.52 0.00 0.00 55.73 54.27 3dmk s ARG 193 Cb -0.15 -1.23 -0.04 0.00 0.52 0.00 0.00 34.95 34.05 3dmk s ARG 193 CO 0.01 0.31 1.03 -0.51 0.02 0.00 0.00 175.30 176.16 3dmk s LEU 194 N -1.18 3.36 0.36 2.53 1.43 -1.26 -0.60 118.68 123.32 3dmk s LEU 194 Ca 0.05 1.55 -0.28 0.00 -1.03 0.00 0.00 54.13 54.42 3dmk s LEU 194 Cb -0.08 -4.49 -0.10 0.00 0.03 0.00 0.00 46.19 41.54 3dmk s LEU 194 CO 0.02 -0.94 1.35 -0.94 0.23 0.00 0.00 176.35 176.06 3dmk s SER 195 N -3.61 6.55 0.44 2.29 1.04 0.12 -4.60 113.70 115.94 3dmk s SER 195 Ca 0.58 2.77 0.29 0.00 0.48 0.00 0.00 55.95 60.06 3dmk s SER 195 Cb -0.12 -2.65 1.00 0.00 0.10 0.00 0.00 66.02 64.35 3dmk s SER 195 CO 0.46 -0.69 1.83 0.00 0.98 0.00 0.00 173.24 175.81 3dmk h ALA 196 N 3.12 1.00 -3.35 5.32 0.00 -1.10 -3.43 119.26 120.82 3dmk h ALA 196 Ca -0.50 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 53.87 3dmk h ALA 196 Cb 1.23 0.00 -0.34 0.00 0.00 0.00 0.00 17.79 18.68 3dmk h ALA 196 CO 0.64 0.00 -0.82 0.95 0.00 0.00 0.00 179.25 180.02 3dmk s THR 197 N -3.44 1.27 -0.10 0.00 -4.23 -1.25 -5.03 115.64 102.86 3dmk s THR 197 Ca 0.04 -0.53 -0.22 0.00 -1.18 0.00 0.00 61.69 59.80 3dmk s THR 197 Cb 0.08 -1.16 -0.04 0.00 1.34 0.00 0.00 72.50 72.72 3dmk s THR 197 CO 0.55 0.39 0.65 -0.54 -0.54 0.00 0.00 174.62 175.14 3dmk s LYS 198 N 0.84 4.39 0.59 3.99 1.02 -1.25 -1.31 119.74 128.01 3dmk s LYS 198 Ca -0.11 0.77 -0.03 0.00 0.02 0.00 0.00 55.97 56.62 3dmk s LYS 198 Cb -0.15 -3.47 0.03 0.00 -0.52 0.00 0.00 37.83 33.72 3dmk s LYS 198 CO 0.01 0.03 0.86 0.20 -0.92 0.00 0.00 175.35 175.54 3dmk s GLY 199 N 0.82 1.69 0.16 -3.33 0.00 0.38 -4.76 107.32 102.29 3dmk s GLY 199 Ca 0.34 -1.01 -0.12 0.00 0.00 0.00 0.00 44.72 43.93 3dmk s GLY 199 CO 0.15 -0.71 0.36 1.09 0.00 0.00 0.00 173.10 174.00 3dmk s ARG 200 N -4.93 1.18 -0.46 2.90 1.70 -1.26 -0.85 118.95 117.23 3dmk s ARG 200 Ca 0.56 -1.00 -0.18 0.00 -0.47 0.00 0.00 55.73 54.64 3dmk s ARG 200 Cb -0.10 0.43 0.04 0.00 -0.57 0.00 0.00 34.95 34.75 3dmk s ARG 200 CO 0.42 -0.46 0.49 -0.51 -1.08 0.00 0.00 175.30 174.16 3dmk s LEU 201 N -2.91 5.06 -0.66 -1.89 1.43 -1.26 -0.70 118.68 117.76 3dmk s LEU 201 Ca 0.12 -0.89 -0.28 0.00 -1.03 0.00 0.00 54.13 52.05 3dmk s LEU 201 Cb 0.02 -2.36 0.03 0.00 0.03 0.00 0.00 46.19 43.91 3dmk s LEU 201 CO -0.03 -0.70 1.23 -0.69 0.23 0.00 0.00 176.35 176.39 3dmk s VAL 202 N 2.19 3.89 -0.24 -1.59 1.01 0.19 -4.38 120.40 121.47 3dmk s VAL 202 Ca 0.11 0.65 -0.18 0.00 0.00 0.00 0.00 61.98 62.56 3dmk s VAL 202 Cb -0.19 -4.81 -0.03 0.00 0.00 0.00 0.00 36.38 31.34 3dmk s VAL 202 CO 0.12 -1.58 0.51 -0.63 0.00 0.00 0.00 175.10 173.52 3dmk s ILE 203 N 5.29 5.08 -0.07 2.22 1.01 -1.26 -0.67 121.20 132.81 3dmk s ILE 203 Ca 0.39 0.90 0.01 0.00 0.00 0.00 0.00 60.65 61.94 3dmk s ILE 203 Cb -0.08 -3.83 -0.03 0.00 0.01 0.00 0.00 42.46 38.53 3dmk s ILE 203 CO 0.20 0.11 -0.08 -0.89 0.00 0.00 0.00 174.94 174.29 3dmk s THR 204 N 2.10 3.64 -0.15 2.92 2.01 0.02 -4.90 115.64 121.28 3dmk s THR 204 Ca 0.22 -0.50 -0.14 0.00 0.31 0.00 0.00 61.69 61.57 3dmk s THR 204 Cb -0.16 -2.48 -0.05 0.00 0.01 0.00 0.00 72.50 69.83 3dmk s THR 204 CO 0.09 0.60 0.32 -1.61 -0.69 0.00 0.00 174.62 173.33 3dmk s GLU 205 N -0.77 4.27 0.04 4.92 2.02 -1.26 -0.82 118.70 127.09 3dmk s GLU 205 Ca 0.12 0.15 -0.30 0.00 0.02 0.00 0.00 54.97 54.95 3dmk s GLU 205 Cb -0.11 -3.43 -0.05 0.00 0.10 0.00 0.00 34.13 30.64 3dmk s GLU 205 CO 0.01 0.23 1.15 -1.25 0.02 0.00 0.00 175.26 175.42 3dmk s PRO 206 N 0.49 4.45 0.12 0.39 0.04 -1.26 -4.92 135.00 134.31 3dmk s PRO 206 Ca 0.18 1.68 0.00 0.00 0.04 0.00 0.00 61.00 62.90 3dmk s PRO 206 Cb -0.13 -3.39 0.00 0.00 0.04 0.00 0.00 34.50 31.02 3dmk s PRO 206 CO 0.05 -0.23 0.00 -0.89 0.04 0.00 0.00 177.00 175.97 3dmk n ILE 207 N 3.98 0.76 -2.59 0.56 2.08 -1.26 -5.06 119.36 117.83 3dmk n ILE 207 Ca 0.08 0.25 -0.40 0.00 0.56 0.00 0.00 62.75 63.25 3dmk n ILE 207 Cb 0.47 -1.21 -0.05 0.00 -0.75 0.00 0.00 39.64 38.10 3dmk n ILE 207 CO 0.00 0.00 0.00 -0.44 0.56 0.00 0.00 176.55 176.67 3dmk s SER 208 N -5.56 7.35 -0.66 4.38 0.01 -1.26 -4.97 113.70 112.99 3dmk s SER 208 Ca 0.00 2.12 -0.27 0.00 1.31 0.00 0.00 55.95 59.11 3dmk s SER 208 Cb 0.00 -2.62 0.01 0.00 0.21 0.00 0.00 66.02 63.63 3dmk s SER 208 CO 0.00 -0.07 1.47 -0.44 0.41 0.00 0.00 173.24 174.61 3dmk s SER 209 N -1.08 5.91 -0.14 2.44 0.01 -1.26 -4.85 113.70 114.74 3dmk s SER 209 Ca 0.45 -0.07 -0.19 0.00 1.31 0.00 0.00 55.95 57.45 3dmk s SER 209 Cb -0.28 -2.55 -0.04 0.00 0.21 0.00 0.00 66.02 63.36 3dmk s SER 209 CO 0.36 -1.95 0.50 0.00 0.41 0.00 0.00 173.24 172.56 3dmk s ALA 210 N 6.71 3.49 0.42 1.44 0.00 -0.04 -4.93 121.76 128.84 3dmk s ALA 210 Ca 0.48 -0.23 -0.26 0.00 0.00 0.00 0.00 51.96 51.95 3dmk s ALA 210 Cb -0.10 -2.71 -0.08 0.00 0.00 0.00 0.00 23.12 20.22 3dmk s ALA 210 CO 0.19 -0.13 1.33 0.08 0.00 0.00 0.00 175.76 177.23 3dmk s VAL 211 N 0.92 2.47 0.16 0.00 1.01 -1.26 -0.85 120.40 122.84 3dmk s VAL 211 Ca 0.26 0.42 -0.31 0.00 0.00 0.00 0.00 61.98 62.34 3dmk s VAL 211 Cb -0.15 -3.24 -0.11 0.00 0.00 0.00 0.00 36.38 32.87 3dmk s VAL 211 CO 0.10 0.06 1.79 -2.84 0.00 0.00 0.00 175.10 174.22 3dmk s PRO 212 N -2.32 4.13 0.02 2.72 0.02 -1.26 -4.65 135.00 133.67 3dmk s PRO 212 Ca 0.58 2.61 0.06 0.00 0.02 0.00 0.00 61.00 64.27 3dmk s PRO 212 Cb -0.39 -3.40 -0.02 0.00 0.02 0.00 0.00 34.50 30.71 3dmk s PRO 212 CO 0.51 -0.81 -0.17 0.21 -0.33 0.00 0.00 177.00 176.40 3dmk s LYS 213 N 2.15 1.23 0.33 5.54 2.20 -0.31 -4.52 119.74 126.35 3dmk s LYS 213 Ca 0.79 -0.77 0.08 0.00 -0.36 0.00 0.00 55.97 55.71 3dmk s LYS 213 Cb -0.48 -1.26 -0.04 0.00 -1.51 0.00 0.00 37.83 34.54 3dmk s LYS 213 CO 0.35 0.33 0.11 0.14 -0.36 0.00 0.00 175.35 175.92 3dmk s VAL 214 N -0.68 3.08 -1.48 4.02 -7.23 -1.26 -2.31 120.40 114.55 3dmk s VAL 214 Ca 0.05 -1.74 -0.09 0.00 -1.81 0.00 0.00 61.98 58.40 3dmk s VAL 214 Cb -0.08 -2.96 -0.05 0.00 0.56 0.00 0.00 36.38 33.85 3dmk s VAL 214 CO 0.01 -0.21 2.88 0.52 -0.31 0.00 0.00 175.10 177.98 3dmk n VAL 215 N -1.10 4.44 0.00 1.32 0.31 -1.26 -4.90 118.33 117.14 3dmk n VAL 215 Ca -0.04 -2.89 0.00 0.00 -0.01 0.00 0.00 64.34 61.40 3dmk n VAL 215 Cb 0.61 -2.47 0.00 0.00 -0.91 0.00 0.00 33.84 31.07 3dmk n VAL 215 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 3dmk n SER 216 N 3.12 0.00 -0.32 4.52 7.64 -1.26 -0.82 113.62 126.50 3dmk n SER 216 Ca 0.74 0.00 0.10 0.00 1.01 0.00 0.00 58.87 60.71 3dmk n SER 216 Cb 0.27 0.00 0.26 0.00 -1.01 0.00 0.00 64.21 63.73 3dmk n SER 216 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 3dmk h LEU 217 N 0.00 0.61 0.00 -3.43 6.46 -1.96 -0.22 115.31 116.76 3dmk h LEU 217 Ca 0.00 0.10 0.00 0.00 -0.12 0.00 0.00 57.88 57.86 3dmk h LEU 217 Cb 0.00 -0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.93 3dmk h LEU 217 CO 0.00 0.23 0.00 0.00 -0.62 0.00 0.00 178.44 178.05 3dmk n ALA 218 N -2.40 1.69 0.22 1.25 0.00 -0.00 -2.23 120.51 119.03 3dmk n ALA 218 Ca 0.20 -0.02 0.10 0.00 0.00 0.00 0.00 53.44 53.71 3dmk n ALA 218 Cb 0.50 -1.06 0.43 0.00 0.00 0.00 0.00 19.45 19.31 3dmk n ALA 218 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3dmk h LYS 219 N 0.00 0.00 -3.34 0.00 3.64 -1.25 -3.46 116.57 112.16 3dmk h LYS 219 Ca 0.00 0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 59.16 3dmk h LYS 219 Cb 0.00 0.00 -0.29 0.00 -0.41 0.00 0.00 32.23 31.53 3dmk h LYS 219 CO 0.00 0.23 -0.59 0.12 -2.27 0.00 0.00 179.45 176.94 3dmk s PHE 220 N -3.60 -0.15 -0.08 1.91 5.36 -0.95 -1.73 117.98 118.75 3dmk s PHE 220 Ca 0.01 0.41 -0.23 0.00 -0.96 0.00 0.00 56.93 56.15 3dmk s PHE 220 Cb 0.10 -0.02 0.05 0.00 -0.34 0.00 0.00 43.02 42.81 3dmk s PHE 220 CO 0.64 -0.12 0.54 0.34 -1.46 0.00 0.00 175.22 175.17 3dmk s ASP 221 N 0.62 -0.50 -0.13 6.13 -1.08 -1.20 -5.03 116.67 115.48 3dmk s ASP 221 Ca -0.05 0.62 0.01 0.00 -0.52 0.00 0.00 52.55 52.61 3dmk s ASP 221 Cb -0.06 0.61 -0.01 0.00 -1.46 0.00 0.00 42.92 42.00 3dmk s ASP 221 CO -0.03 -0.47 -0.16 -0.04 0.52 0.00 0.00 175.17 174.99 3dmk s MET 222 N -0.90 3.26 0.09 4.34 -1.94 -1.26 -0.92 119.30 121.98 3dmk s MET 222 Ca -0.09 -0.75 0.10 0.00 -1.71 0.00 0.00 55.69 53.23 3dmk s MET 222 Cb -0.03 -2.54 -0.03 0.00 2.01 0.00 0.00 34.83 34.24 3dmk s MET 222 CO 0.06 0.16 -0.25 0.15 -0.01 0.00 0.00 175.02 175.13 3dmk s LYS 223 N 0.45 1.45 -0.34 2.03 1.02 0.18 -4.93 119.74 119.61 3dmk s LYS 223 Ca -0.12 -1.20 0.01 0.00 0.02 0.00 0.00 55.97 54.68 3dmk s LYS 223 Cb -0.16 -1.78 0.10 0.00 -0.52 0.00 0.00 37.83 35.47 3dmk s LYS 223 CO 0.05 0.43 0.10 0.99 -0.92 0.00 0.00 175.35 176.01 3dmk s THR 224 N -0.98 1.48 0.15 2.17 2.01 -1.26 -1.14 115.64 118.08 3dmk s THR 224 Ca 0.11 -1.91 -0.08 0.00 0.31 0.00 0.00 61.69 60.12 3dmk s THR 224 Cb -0.10 -2.10 -0.06 0.00 0.01 0.00 0.00 72.50 70.25 3dmk s THR 224 CO 0.04 -0.68 0.44 -0.31 -0.69 0.00 0.00 174.62 173.43 3dmk s TYR 225 N 1.18 3.49 0.65 4.92 1.51 -0.30 -4.97 117.35 123.83 3dmk s TYR 225 Ca 0.11 0.73 -0.15 0.00 -1.01 0.00 0.00 57.07 56.75 3dmk s TYR 225 Cb -0.19 -2.13 -0.01 0.00 -0.11 0.00 0.00 41.96 39.52 3dmk s TYR 225 CO -0.16 0.40 1.10 -1.54 -1.11 0.00 0.00 175.55 174.25 3dmk s SER 226 N -2.22 5.21 0.60 2.29 1.04 -1.26 -1.01 113.70 118.35 3dmk s SER 226 Ca 0.41 1.97 -0.19 0.00 0.48 0.00 0.00 55.95 58.61 3dmk s SER 226 Cb -0.12 -2.55 -0.03 0.00 0.10 0.00 0.00 66.02 63.42 3dmk s SER 226 CO 0.22 -1.56 1.28 -0.83 0.98 0.00 0.00 173.24 173.33 3dmk s GLY 227 N -2.63 2.84 -1.52 7.32 0.00 -1.24 -3.68 107.32 108.41 3dmk s GLY 227 Ca 0.66 1.18 -0.04 0.00 0.00 0.00 0.00 44.72 46.53 3dmk s GLY 227 CO 0.41 1.62 0.33 -1.26 0.00 0.00 0.00 173.10 174.20 3dmk n SER 228 N -1.57 -0.33 -2.81 1.64 2.88 -0.28 -4.88 113.62 108.27 3dmk n SER 228 Ca 0.14 -1.11 -0.09 0.00 -1.33 0.00 0.00 58.87 56.47 3dmk n SER 228 Cb 0.48 -2.46 -0.01 0.00 -0.75 0.00 0.00 64.21 61.47 3dmk n SER 228 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3dmk n SER 229 N -2.89 2.17 -4.39 -3.46 3.41 -1.24 -4.53 113.62 102.69 3dmk n SER 229 Ca -0.25 -1.64 -0.39 0.00 -0.26 0.00 0.00 58.87 56.33 3dmk n SER 229 Cb 0.66 0.07 -0.12 0.00 -0.26 0.00 0.00 64.21 64.56 3dmk n SER 229 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3dmk s THR 230 N -1.34 4.46 0.06 6.66 2.01 -1.26 -0.89 115.64 125.34 3dmk s THR 230 Ca 0.02 -0.67 -0.10 0.00 0.31 0.00 0.00 61.69 61.25 3dmk s THR 230 Cb -0.00 -3.38 -0.06 0.00 0.01 0.00 0.00 72.50 69.07 3dmk s THR 230 CO 0.02 -0.07 0.38 -0.04 -0.69 0.00 0.00 174.62 174.22 3dmk s MET 231 N 1.56 3.76 -0.34 4.92 1.00 0.39 -4.78 119.30 125.82 3dmk s MET 231 Ca 0.03 0.18 0.02 0.00 0.00 0.00 0.00 55.69 55.92 3dmk s MET 231 Cb -0.18 -3.04 0.10 0.00 0.00 0.00 0.00 34.83 31.71 3dmk s MET 231 CO 0.06 0.59 0.08 0.00 0.00 0.00 0.00 175.02 175.75 3dmk s ALA 232 N -1.33 2.40 -0.20 3.03 0.00 -1.26 -0.72 121.76 123.67 3dmk s ALA 232 Ca 0.31 -2.26 -0.17 0.00 0.00 0.00 0.00 51.96 49.84 3dmk s ALA 232 Cb -0.14 -1.85 -0.04 0.00 0.00 0.00 0.00 23.12 21.09 3dmk s ALA 232 CO 0.17 -1.71 0.43 -0.51 0.00 0.00 0.00 175.76 174.14 3dmk s LEU 233 N 1.09 4.15 0.21 0.00 1.43 0.51 -4.94 118.68 121.14 3dmk s LEU 233 Ca 0.11 0.55 0.07 0.00 -1.03 0.00 0.00 54.13 53.83 3dmk s LEU 233 Cb -0.19 -2.57 -0.04 0.00 0.03 0.00 0.00 46.19 43.43 3dmk s LEU 233 CO -0.14 -0.11 0.14 -0.76 0.23 0.00 0.00 176.35 175.71 3dmk s LEU 234 N 1.43 3.71 -0.41 1.79 1.02 -1.26 -0.11 118.68 124.84 3dmk s LEU 234 Ca 0.20 -0.26 0.10 0.00 0.02 0.00 0.00 54.13 54.20 3dmk s LEU 234 Cb -0.15 -2.28 0.32 0.00 0.02 0.00 0.00 46.19 44.11 3dmk s LEU 234 CO 0.09 0.02 0.72 0.00 0.02 0.00 0.00 176.35 177.19 3dmk n PRO 236 N 0.47 1.15 -3.59 0.00 -0.02 -1.26 -4.89 135.00 126.86 3dmk n PRO 236 Ca 0.25 0.21 -0.09 0.00 -2.02 0.00 0.00 63.50 61.85 3dmk n PRO 236 Cb 0.59 -2.88 -0.10 0.00 -0.02 0.00 0.00 33.50 31.09 3dmk n PRO 236 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3dmk s ALA 237 N 9.47 -1.08 0.41 3.55 0.00 -1.26 -4.29 121.76 128.56 3dmk s ALA 237 Ca 1.07 1.32 0.08 0.00 0.00 0.00 0.00 51.96 54.43 3dmk s ALA 237 Cb -0.54 -1.37 -0.01 0.00 0.00 0.00 0.00 23.12 21.20 3dmk s ALA 237 CO 0.38 -0.85 0.45 -0.65 0.00 0.00 0.00 175.76 175.09 3dmk s GLN 238 N 2.58 2.67 0.00 0.00 -0.21 -0.98 -4.90 119.66 118.82 3dmk s GLN 238 Ca 0.02 -1.40 0.00 0.00 0.02 0.00 0.00 55.36 53.99 3dmk s GLN 238 Cb -0.13 -2.53 0.00 0.00 1.00 0.00 0.00 33.01 31.35 3dmk s GLN 238 CO -0.13 -0.20 0.00 0.41 -2.12 0.00 0.00 175.29 173.25 3dmk n GLY 239 N -1.66 1.85 3.01 3.09 0.00 -1.26 -1.16 105.19 109.07 3dmk n GLY 239 Ca 0.05 -1.06 -0.13 0.00 0.00 0.00 0.00 46.02 44.88 3dmk n GLY 239 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3dmk s TYR 240 N -2.00 -0.21 0.97 1.61 5.04 -0.03 -4.08 117.35 118.66 3dmk s TYR 240 Ca 0.00 0.53 -0.11 0.00 -2.44 0.00 0.00 57.07 55.05 3dmk s TYR 240 Cb 0.00 0.01 0.17 0.00 0.35 0.00 0.00 41.96 42.50 3dmk s TYR 240 CO 0.00 -0.14 1.08 -2.30 -1.34 0.00 0.00 175.55 172.85 3dmk n PRO 241 N 3.61 -0.86 -1.63 4.97 -0.02 -1.26 -0.86 135.00 138.94 3dmk n PRO 241 Ca -0.19 -0.19 -0.50 0.00 -2.02 0.00 0.00 63.50 60.59 3dmk n PRO 241 Cb 0.55 -2.31 -0.06 0.00 -0.02 0.00 0.00 33.50 31.67 3dmk n PRO 241 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3dmk n VAL 242 N -4.38 0.44 -1.68 -1.45 0.31 -1.26 -4.81 118.33 105.50 3dmk n VAL 242 Ca 0.10 -0.16 -0.29 0.00 -0.01 0.00 0.00 64.34 63.98 3dmk n VAL 242 Cb 0.53 -1.77 0.14 0.00 -0.91 0.00 0.00 33.84 31.83 3dmk n VAL 242 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 3dmk s PRO 243 N 4.63 1.09 -0.04 5.55 0.04 -1.26 -4.96 135.00 140.05 3dmk s PRO 243 Ca 0.98 0.08 0.06 0.00 0.04 0.00 0.00 61.00 62.16 3dmk s PRO 243 Cb -0.77 -1.85 -0.01 0.00 0.04 0.00 0.00 34.50 31.91 3dmk s PRO 243 CO 0.53 -2.19 -0.23 0.08 0.04 0.00 0.00 177.00 175.22 3dmk s VAL 244 N -3.46 1.89 -0.20 -0.36 1.01 0.31 -4.97 120.40 114.62 3dmk s VAL 244 Ca 0.66 -1.00 -0.05 0.00 0.00 0.00 0.00 61.98 61.59 3dmk s VAL 244 Cb -0.11 -1.59 -0.03 0.00 0.00 0.00 0.00 36.38 34.65 3dmk s VAL 244 CO 0.52 0.53 0.01 -0.36 0.00 0.00 0.00 175.10 175.80 3dmk s PHE 245 N -0.30 3.05 -0.06 5.22 0.08 -1.26 -1.56 117.98 123.15 3dmk s PHE 245 Ca 0.02 -0.41 0.05 0.00 0.12 0.00 0.00 56.93 56.71 3dmk s PHE 245 Cb -0.12 -2.08 -0.01 0.00 -0.57 0.00 0.00 43.02 40.24 3dmk s PHE 245 CO 0.02 -0.21 -0.23 1.03 -0.10 0.00 0.00 175.22 175.73 3dmk s ARG 246 N 0.95 2.61 -0.07 0.44 0.52 0.31 -4.96 118.95 118.76 3dmk s ARG 246 Ca 0.02 -0.86 0.01 0.00 -0.52 0.00 0.00 55.73 54.37 3dmk s ARG 246 Cb -0.14 -2.23 -0.03 0.00 0.52 0.00 0.00 34.95 33.07 3dmk s ARG 246 CO 0.02 0.40 -0.08 -1.58 0.02 0.00 0.00 175.30 174.08 3dmk s TRP 247 N -0.19 2.91 0.06 -0.53 0.52 -1.26 -0.29 118.94 120.15 3dmk s TRP 247 Ca -0.02 -0.00 0.03 0.00 0.02 0.00 0.00 56.10 56.13 3dmk s TRP 247 Cb -0.13 -1.70 -0.03 0.00 -1.15 0.00 0.00 33.47 30.46 3dmk s TRP 247 CO 0.03 0.31 -0.10 0.71 0.02 0.00 0.00 176.95 177.92 3dmk s TYR 248 N -0.79 0.90 -0.11 -1.98 2.02 0.11 -1.19 117.35 116.31 3dmk s TYR 248 Ca 0.12 -0.50 0.02 0.00 -0.37 0.00 0.00 57.07 56.34 3dmk s TYR 248 Cb -0.11 -0.52 -0.00 0.00 -0.40 0.00 0.00 41.96 40.92 3dmk s TYR 248 CO 0.01 -0.03 -0.20 0.21 -1.57 0.00 0.00 175.55 173.98 3dmk s LYS 249 N -1.77 3.18 0.49 -0.62 2.20 0.59 -0.05 119.74 123.75 3dmk s LYS 249 Ca -0.06 -0.80 -0.21 0.00 -0.36 0.00 0.00 55.97 54.54 3dmk s LYS 249 Cb -0.09 -2.44 -0.07 0.00 -1.51 0.00 0.00 37.83 33.72 3dmk s LYS 249 CO 0.01 0.18 1.12 -0.06 -0.36 0.00 0.00 175.35 176.23 3dmk s PHE 250 N 0.39 2.86 -0.03 4.03 0.08 -0.33 -0.71 117.98 124.27 3dmk s PHE 250 Ca -0.15 1.56 -0.30 0.00 0.12 0.00 0.00 56.93 58.16 3dmk s PHE 250 Cb -0.17 -3.27 -0.03 0.00 -0.57 0.00 0.00 43.02 38.99 3dmk s PHE 250 CO 0.07 -1.33 0.99 0.42 -0.10 0.00 0.00 175.22 175.27 3dmk s ILE 251 N -1.71 4.83 -0.07 0.64 1.09 -0.04 -4.67 121.20 121.27 3dmk s ILE 251 Ca 0.67 2.05 -0.02 0.00 -1.10 0.00 0.00 60.65 62.25 3dmk s ILE 251 Cb -0.24 -4.31 -0.02 0.00 -1.06 0.00 0.00 42.46 36.83 3dmk s ILE 251 CO 0.28 0.12 0.19 1.21 -0.10 0.00 0.00 174.94 176.64 3dmk n GLU 252 N 4.21 0.00 0.00 2.79 4.07 -1.26 -0.36 120.64 130.09 3dmk n GLU 252 Ca 0.07 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.17 3dmk n GLU 252 Cb 0.50 -0.10 0.00 0.00 -0.06 0.00 0.00 31.44 31.78 3dmk n GLU 252 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3dmk n GLY 253 N 0.45 2.89 3.95 8.31 0.00 -1.26 -4.99 105.19 114.53 3dmk n GLY 253 Ca 0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.80 3dmk n GLY 253 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3dmk s THR 254 N -1.03 2.15 -2.27 2.61 -4.23 0.52 -4.99 115.64 108.40 3dmk s THR 254 Ca 0.00 -0.28 0.28 0.00 -1.18 0.00 0.00 61.69 60.51 3dmk s THR 254 Cb 0.00 -2.87 0.54 0.00 1.34 0.00 0.00 72.50 71.51 3dmk s THR 254 CO 0.00 0.00 1.78 0.35 -0.54 0.00 0.00 174.62 176.21 3dmk n THR 255 N -3.16 0.00 -3.07 3.99 -2.24 -1.26 -4.55 114.28 103.99 3dmk n THR 255 Ca 0.12 -0.19 -0.36 0.00 -2.27 0.00 0.00 64.05 61.35 3dmk n THR 255 Cb 0.60 0.33 -0.06 0.00 -2.10 0.00 0.00 70.33 69.10 3dmk n THR 255 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3dmk s ARG 256 N -2.11 4.30 0.02 -0.78 1.81 -1.26 -4.99 118.95 115.94 3dmk s ARG 256 Ca 0.36 0.93 0.04 0.00 -1.72 0.00 0.00 55.73 55.35 3dmk s ARG 256 Cb 0.21 -2.90 -0.02 0.00 -0.45 0.00 0.00 34.95 31.79 3dmk s ARG 256 CO 0.38 0.40 -0.13 -1.59 -0.68 0.00 0.00 175.30 173.67 3dmk s LYS 257 N -1.91 0.98 0.04 3.54 -2.85 -1.26 -0.87 119.74 117.42 3dmk s LYS 257 Ca 0.43 -0.61 0.03 0.00 -1.00 0.00 0.00 55.97 54.82 3dmk s LYS 257 Cb -0.17 -0.97 -0.04 0.00 -2.06 0.00 0.00 37.83 34.59 3dmk s LYS 257 CO 0.22 0.25 0.00 -0.65 0.10 0.00 0.00 175.35 175.27 3dmk s GLN 258 N -0.74 2.68 0.29 1.78 -0.21 0.11 -4.94 119.66 118.64 3dmk s GLN 258 Ca 0.03 -0.72 -0.29 0.00 0.02 0.00 0.00 55.36 54.40 3dmk s GLN 258 Cb -0.06 -2.61 -0.10 0.00 1.00 0.00 0.00 33.01 31.24 3dmk s GLN 258 CO 0.00 0.58 1.18 0.00 -2.12 0.00 0.00 175.29 174.93 3dmk s ALA 259 N -1.20 3.44 0.25 6.09 0.00 -1.26 -0.30 121.76 128.77 3dmk s ALA 259 Ca 0.23 1.03 -0.30 0.00 0.00 0.00 0.00 51.96 52.92 3dmk s ALA 259 Cb -0.12 -3.38 -0.09 0.00 0.00 0.00 0.00 23.12 19.53 3dmk s ALA 259 CO 0.15 -0.34 1.28 0.08 0.00 0.00 0.00 175.76 176.92 3dmk s VAL 260 N -1.07 3.11 -0.43 0.00 1.01 -0.33 -4.78 120.40 117.90 3dmk s VAL 260 Ca 0.47 1.00 -0.20 0.00 0.00 0.00 0.00 61.98 63.24 3dmk s VAL 260 Cb -0.35 -3.63 0.02 0.00 0.00 0.00 0.00 36.38 32.42 3dmk s VAL 260 CO 0.45 0.19 0.57 -0.69 0.00 0.00 0.00 175.10 175.62 3dmk s VAL 261 N -0.44 4.91 0.31 2.92 1.01 -1.26 -4.96 120.40 122.89 3dmk s VAL 261 Ca 0.53 -0.02 -0.27 0.00 0.00 0.00 0.00 61.98 62.21 3dmk s VAL 261 Cb -0.37 -4.15 -0.10 0.00 0.00 0.00 0.00 36.38 31.77 3dmk s VAL 261 CO 0.43 -0.53 0.96 -0.76 0.00 0.00 0.00 175.10 175.20 3dmk s LEU 262 N 2.59 4.40 0.00 3.92 1.43 -1.26 -4.78 118.68 124.98 3dmk s LEU 262 Ca 0.19 1.91 0.00 0.00 -1.03 0.00 0.00 54.13 55.20 3dmk s LEU 262 Cb -0.15 -3.91 0.00 0.00 0.03 0.00 0.00 46.19 42.16 3dmk s LEU 262 CO 0.17 -0.06 0.00 -0.46 0.23 0.00 0.00 176.35 176.23 3dmk n ASN 263 N 0.75 3.31 0.03 2.29 6.94 -0.03 -5.01 115.26 123.54 3dmk n ASN 263 Ca 0.01 0.00 -0.19 0.00 -0.02 0.00 0.00 54.58 54.38 3dmk n ASN 263 Cb 0.49 0.00 -0.14 0.00 -2.36 0.00 0.00 39.78 37.77 3dmk n ASN 263 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 3dmk h ASP 264 N 0.00 0.41 0.03 0.53 3.32 -2.02 -3.41 116.42 115.28 3dmk h ASP 264 Ca 0.00 -0.76 -0.12 0.00 0.02 0.00 0.00 57.03 56.18 3dmk h ASP 264 Cb 0.00 -0.13 0.01 0.00 0.22 0.00 0.00 39.33 39.43 3dmk h ASP 264 CO 0.00 1.66 -0.47 -0.09 -1.72 0.00 0.00 179.24 178.63 3dmk h ARG 265 N 0.07 0.27 -5.12 3.56 2.43 -1.97 -3.44 114.38 110.19 3dmk h ARG 265 Ca -0.35 -0.33 -0.65 0.00 -0.81 0.00 0.00 59.98 57.85 3dmk h ARG 265 Cb 2.05 0.10 -0.23 0.00 -0.42 0.00 0.00 29.97 31.46 3dmk h ARG 265 CO 0.12 1.05 -0.67 0.08 -1.51 0.00 0.00 179.97 179.05 3dmk s VAL 266 N -2.96 3.88 0.13 0.20 1.01 -1.26 -0.82 120.40 120.58 3dmk s VAL 266 Ca -0.15 -0.34 0.05 0.00 0.00 0.00 0.00 61.98 61.55 3dmk s VAL 266 Cb 0.02 -2.75 -0.04 0.00 0.00 0.00 0.00 36.38 33.60 3dmk s VAL 266 CO 0.78 0.43 -0.13 -0.75 0.00 0.00 0.00 175.10 175.44 3dmk s LYS 267 N 1.00 1.04 -0.26 2.72 2.20 -0.15 -0.85 119.74 125.45 3dmk s LYS 267 Ca 0.01 -1.32 0.00 0.00 -0.36 0.00 0.00 55.97 54.31 3dmk s LYS 267 Cb -0.14 -0.81 0.04 0.00 -1.51 0.00 0.00 37.83 35.41 3dmk s LYS 267 CO 0.01 0.14 -0.08 -1.14 -0.36 0.00 0.00 175.35 173.92 3dmk s GLN 268 N -3.05 2.51 -0.47 4.03 0.74 -1.26 -0.61 119.66 121.55 3dmk s GLN 268 Ca 0.12 -1.18 -0.18 0.00 0.05 0.00 0.00 55.36 54.17 3dmk s GLN 268 Cb -0.02 -2.95 0.05 0.00 1.10 0.00 0.00 33.01 31.18 3dmk s GLN 268 CO 0.02 -0.50 0.50 0.08 -0.55 0.00 0.00 175.29 174.84 3dmk s VAL 269 N 1.21 5.04 0.00 1.34 1.01 -0.03 -4.93 120.40 124.04 3dmk s VAL 269 Ca -0.04 -0.58 0.00 0.00 0.00 0.00 0.00 61.98 61.36 3dmk s VAL 269 Cb -0.18 -4.16 0.00 0.00 0.00 0.00 0.00 36.38 32.03 3dmk s VAL 269 CO -0.05 -0.61 0.00 -0.24 0.00 0.00 0.00 175.10 174.20 3dmk n SER 270 N 5.73 0.00 0.02 3.32 2.88 -1.26 -0.97 113.62 123.34 3dmk n SER 270 Ca -0.08 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.57 3dmk n SER 270 Cb 0.46 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.86 3dmk n SER 270 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3dmk n GLY 271 N 0.00 -1.13 3.70 0.46 0.00 -1.26 -4.77 105.19 102.18 3dmk n GLY 271 Ca 0.00 -0.46 -0.40 0.00 0.00 0.00 0.00 46.02 45.16 3dmk n GLY 271 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dmk s THR 272 N -3.25 5.03 -0.19 2.61 2.01 -0.14 -4.16 115.64 117.54 3dmk s THR 272 Ca 0.01 1.38 -0.18 0.00 0.31 0.00 0.00 61.69 63.22 3dmk s THR 272 Cb 0.14 -4.02 -0.04 0.00 0.01 0.00 0.00 72.50 68.60 3dmk s THR 272 CO 0.84 0.20 0.48 -0.22 -0.69 0.00 0.00 174.62 175.22 3dmk s LEU 273 N 1.19 4.17 -0.16 4.42 2.96 0.84 -0.85 118.68 131.25 3dmk s LEU 273 Ca 0.35 0.65 -0.04 0.00 -0.22 0.00 0.00 54.13 54.87 3dmk s LEU 273 Cb -0.17 -2.65 -0.03 0.00 0.50 0.00 0.00 46.19 43.85 3dmk s LEU 273 CO 0.15 -0.12 -0.03 -0.63 -1.32 0.00 0.00 176.35 174.40 3dmk s ILE 274 N 1.37 3.89 -0.25 6.68 1.01 0.22 -0.36 121.20 133.77 3dmk s ILE 274 Ca 0.23 -0.35 0.00 0.00 0.00 0.00 0.00 60.65 60.53 3dmk s ILE 274 Cb -0.15 -2.71 0.04 0.00 0.01 0.00 0.00 42.46 39.64 3dmk s ILE 274 CO 0.09 0.48 -0.09 -0.63 0.00 0.00 0.00 174.94 174.79 3dmk s ILE 275 N 0.49 2.52 0.41 2.92 1.01 0.10 -0.97 121.20 127.68 3dmk s ILE 275 Ca -0.03 -1.25 -0.08 0.00 0.00 0.00 0.00 60.65 59.29 3dmk s ILE 275 Cb -0.14 -2.33 -0.05 0.00 0.01 0.00 0.00 42.46 39.95 3dmk s ILE 275 CO 0.03 0.15 0.74 -0.54 0.00 0.00 0.00 174.94 175.31 3dmk s LYS 276 N 1.24 3.67 -0.90 2.79 1.02 0.00 -0.46 119.74 127.10 3dmk s LYS 276 Ca -0.03 0.29 -0.07 0.00 0.02 0.00 0.00 55.97 56.18 3dmk s LYS 276 Cb -0.17 -2.43 -0.00 0.00 -0.52 0.00 0.00 37.83 34.71 3dmk s LYS 276 CO -0.06 -0.06 0.69 -0.25 -0.92 0.00 0.00 175.35 174.76 3dmk n ASP 277 N -1.60 -5.92 -4.76 2.83 8.00 -0.79 -4.79 116.55 109.52 3dmk n ASP 277 Ca 0.01 -0.71 -0.38 0.00 0.71 0.00 0.00 54.79 54.42 3dmk n ASP 277 Cb 0.54 -3.34 0.02 0.00 -0.02 0.00 0.00 41.12 38.32 3dmk n ASP 277 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dmk s ALA 278 N -3.14 3.01 0.17 2.24 0.00 -0.07 -4.80 121.76 119.17 3dmk s ALA 278 Ca 0.15 1.23 0.03 0.00 0.00 0.00 0.00 51.96 53.37 3dmk s ALA 278 Cb -0.06 -3.51 -0.05 0.00 0.00 0.00 0.00 23.12 19.51 3dmk s ALA 278 CO 0.84 -1.05 -0.03 0.14 0.00 0.00 0.00 175.76 175.67 3dmk s VAL 279 N -1.34 0.85 0.43 0.00 -7.23 -1.26 -1.13 120.40 110.72 3dmk s VAL 279 Ca 0.65 -2.00 0.09 0.00 -1.81 0.00 0.00 61.98 58.90 3dmk s VAL 279 Cb -0.37 -2.06 0.27 0.00 0.56 0.00 0.00 36.38 34.78 3dmk s VAL 279 CO 0.46 -0.55 2.07 0.58 -0.31 0.00 0.00 175.10 177.35 3dmk h VAL 280 N 2.70 1.07 -0.09 1.32 2.07 -1.84 0.18 116.25 121.66 3dmk h VAL 280 Ca -0.37 -0.16 0.03 0.00 0.82 0.00 0.00 66.70 67.02 3dmk h VAL 280 Cb 1.20 0.57 -0.00 0.00 -1.52 0.00 0.00 31.29 31.53 3dmk h VAL 280 CO 0.63 0.09 0.10 -0.33 0.02 0.00 0.00 177.57 178.08 3dmk h GLU 281 N 0.47 0.00 0.00 1.57 3.07 -1.96 0.16 114.58 117.89 3dmk h GLU 281 Ca 0.14 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.00 3dmk h GLU 281 Cb -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.90 3dmk h GLU 281 CO -0.03 0.00 0.00 -0.25 -1.40 0.00 0.00 179.01 177.33 3dmk n ASP 282 N -3.80 0.00 -4.76 1.42 8.00 0.05 -4.83 116.55 112.64 3dmk n ASP 282 Ca -0.01 0.31 -0.38 0.00 0.71 0.00 0.00 54.79 55.43 3dmk n ASP 282 Cb 0.20 -0.42 0.02 0.00 -0.02 0.00 0.00 41.12 40.90 3dmk n ASP 282 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3dmk s SER 283 N -2.85 5.61 0.00 -2.24 0.01 0.04 -4.90 113.70 109.38 3dmk s SER 283 Ca 0.14 2.54 0.00 0.00 1.31 0.00 0.00 55.95 59.94 3dmk s SER 283 Cb 0.15 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.76 3dmk s SER 283 CO 0.38 -1.32 0.00 0.61 0.41 0.00 0.00 173.24 173.32 3dmk n GLY 284 N 0.59 -0.66 3.47 3.44 0.00 0.66 -5.00 105.19 107.70 3dmk n GLY 284 Ca 0.10 -1.43 -0.41 0.00 0.00 0.00 0.00 46.02 44.27 3dmk n GLY 284 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3dmk s LYS 285 N -2.00 3.21 -0.14 1.61 2.20 -1.26 -0.16 119.74 123.20 3dmk s LYS 285 Ca 0.00 -0.84 -0.07 0.00 -0.36 0.00 0.00 55.97 54.70 3dmk s LYS 285 Cb 0.00 -3.81 -0.04 0.00 -1.51 0.00 0.00 37.83 32.47 3dmk s LYS 285 CO 0.00 -0.57 0.11 0.71 -0.36 0.00 0.00 175.35 175.24 3dmk s TYR 286 N 1.67 3.47 -0.13 4.03 2.02 0.70 -1.18 117.35 127.92 3dmk s TYR 286 Ca 0.05 0.40 0.02 0.00 -0.37 0.00 0.00 57.07 57.17 3dmk s TYR 286 Cb -0.18 -1.99 0.01 0.00 -0.40 0.00 0.00 41.96 39.40 3dmk s TYR 286 CO 0.09 0.55 -0.21 -1.17 -1.57 0.00 0.00 175.55 173.24 3dmk s LEU 287 N -0.56 2.03 -0.20 -1.29 2.96 0.92 0.06 118.68 122.61 3dmk s LEU 287 Ca 0.12 -0.57 -0.07 0.00 -0.22 0.00 0.00 54.13 53.39 3dmk s LEU 287 Cb -0.12 -1.37 -0.04 0.00 0.50 0.00 0.00 46.19 45.17 3dmk s LEU 287 CO 0.02 0.07 0.05 0.00 -1.32 0.00 0.00 176.35 175.17 3dmk s VAL 289 N 0.70 4.04 -0.21 0.00 1.01 0.60 -1.14 120.40 125.39 3dmk s VAL 289 Ca 0.03 -0.32 0.01 0.00 0.00 0.00 0.00 61.98 61.70 3dmk s VAL 289 Cb -0.13 -2.75 0.05 0.00 0.00 0.00 0.00 36.38 33.55 3dmk s VAL 289 CO 0.02 0.53 -0.10 0.54 0.00 0.00 0.00 175.10 176.09 3dmk s VAL 290 N -0.03 1.69 0.22 2.92 0.11 0.35 -0.53 120.40 125.13 3dmk s VAL 290 Ca 0.02 -1.12 0.09 0.00 -2.93 0.00 0.00 61.98 58.04 3dmk s VAL 290 Cb -0.13 -1.80 -0.04 0.00 -1.53 0.00 0.00 36.38 32.88 3dmk s VAL 290 CO 0.02 0.10 -0.06 0.20 -3.33 0.00 0.00 175.10 172.04 3dmk s ASN 291 N 1.36 4.39 0.22 3.54 -0.87 -0.60 -0.75 114.94 122.23 3dmk s ASN 291 Ca -0.03 -0.61 -0.04 0.00 -1.57 0.00 0.00 52.86 50.62 3dmk s ASN 291 Cb -0.17 -0.78 0.02 0.00 -0.02 0.00 0.00 41.25 40.29 3dmk s ASN 291 CO -0.07 0.06 0.35 -0.46 -2.57 0.00 0.00 177.10 174.41 3dmk n ASN 292 N -0.36 -1.00 0.29 -1.22 6.94 0.22 -0.53 115.26 119.59 3dmk n ASN 292 Ca -0.09 -2.07 0.16 0.00 -0.02 0.00 0.00 54.58 52.56 3dmk n ASN 292 Cb 0.57 1.78 0.94 0.00 -2.36 0.00 0.00 39.78 40.70 3dmk n ASN 292 CO 0.00 0.00 0.00 0.77 -1.03 0.00 0.00 177.26 177.00 3dmk h SER 293 N 1.18 0.00 0.00 0.53 4.64 -1.93 -3.16 113.55 114.81 3dmk h SER 293 Ca -0.18 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.03 3dmk h SER 293 Cb 0.72 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.79 3dmk h SER 293 CO 0.23 0.00 -0.89 0.58 -0.87 0.00 0.00 176.83 175.88 3dmk h VAL 294 N 0.00 0.46 -2.16 0.95 2.07 -1.93 -3.51 116.25 112.14 3dmk h VAL 294 Ca 0.01 -1.60 -0.02 0.00 0.82 0.00 0.00 66.70 65.91 3dmk h VAL 294 Cb 0.04 1.12 -0.00 0.00 -1.52 0.00 0.00 31.29 30.92 3dmk h VAL 294 CO -0.00 0.16 0.00 0.61 0.02 0.00 0.00 177.57 178.36 3dmk n GLY 295 N 1.52 2.57 3.06 2.17 0.00 -1.20 -5.05 105.19 108.27 3dmk n GLY 295 Ca -0.20 -1.25 -0.13 0.00 0.00 0.00 0.00 46.02 44.45 3dmk n GLY 295 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3dmk s GLY 296 N -1.21 -0.14 0.24 -0.02 0.00 -1.26 -0.61 107.32 104.32 3dmk s GLY 296 Ca 0.02 0.77 0.08 0.00 0.00 0.00 0.00 44.72 45.60 3dmk s GLY 296 CO 0.02 0.87 -0.12 1.85 0.00 0.00 0.00 173.10 175.72 3dmk s GLU 297 N 0.69 1.46 -0.04 2.90 2.56 0.07 -4.99 118.70 121.36 3dmk s GLU 297 Ca -0.05 -1.69 -0.06 0.00 0.00 0.00 0.00 54.97 53.17 3dmk s GLU 297 Cb -0.06 -1.22 0.01 0.00 2.00 0.00 0.00 34.13 34.86 3dmk s GLU 297 CO -0.04 0.15 0.15 -1.54 -0.56 0.00 0.00 175.26 173.42 3dmk s SER 298 N -3.39 -0.10 0.17 -1.70 1.04 -1.26 -0.49 113.70 107.96 3dmk s SER 298 Ca 0.26 0.15 0.07 0.00 0.48 0.00 0.00 55.95 56.91 3dmk s SER 298 Cb 0.00 0.29 -0.04 0.00 0.10 0.00 0.00 66.02 66.37 3dmk s SER 298 CO 0.10 -0.16 -0.16 0.68 0.98 0.00 0.00 173.24 174.68 3dmk s VAL 299 N -0.39 1.64 0.19 5.02 -7.23 -0.29 -4.93 120.40 114.40 3dmk s VAL 299 Ca -0.05 -1.96 0.07 0.00 -1.81 0.00 0.00 61.98 58.23 3dmk s VAL 299 Cb -0.03 -1.83 -0.05 0.00 0.56 0.00 0.00 36.38 35.04 3dmk s VAL 299 CO 0.01 -0.45 -0.14 -1.61 -0.31 0.00 0.00 175.10 172.60 3dmk s GLU 300 N -3.07 1.26 -0.07 4.82 2.02 -0.71 -0.56 118.70 122.40 3dmk s GLU 300 Ca 0.16 -1.54 -0.03 0.00 0.02 0.00 0.00 54.97 53.58 3dmk s GLU 300 Cb -0.04 -1.03 0.04 0.00 0.10 0.00 0.00 34.13 33.20 3dmk s GLU 300 CO 0.05 0.17 0.14 0.99 0.02 0.00 0.00 175.26 176.63 3dmk s THR 301 N -2.95 -0.17 -0.68 3.63 2.01 0.11 -3.21 115.64 114.38 3dmk s THR 301 Ca 0.20 0.30 -0.20 0.00 0.31 0.00 0.00 61.69 62.30 3dmk s THR 301 Cb -0.01 -0.25 0.10 0.00 0.01 0.00 0.00 72.50 72.35 3dmk s THR 301 CO 0.06 0.13 0.89 -0.69 -0.69 0.00 0.00 174.62 174.31 3dmk s VAL 302 N 1.87 4.60 -0.19 3.82 1.01 -0.10 -0.22 120.40 131.20 3dmk s VAL 302 Ca -0.01 -0.83 -0.12 0.00 0.00 0.00 0.00 61.98 61.02 3dmk s VAL 302 Cb -0.12 -4.62 -0.05 0.00 0.00 0.00 0.00 36.38 31.59 3dmk s VAL 302 CO -0.05 -1.33 0.22 -0.22 0.00 0.00 0.00 175.10 173.71 3dmk s LEU 303 N 3.25 4.21 -0.17 3.92 2.96 0.78 -0.64 118.68 132.98 3dmk s LEU 303 Ca 0.19 0.35 -0.01 0.00 -0.22 0.00 0.00 54.13 54.44 3dmk s LEU 303 Cb -0.18 -2.23 0.05 0.00 0.50 0.00 0.00 46.19 44.33 3dmk s LEU 303 CO 0.05 0.12 -0.02 0.42 -1.32 0.00 0.00 176.35 175.60 3dmk s THR 304 N 0.53 0.94 -0.08 3.68 -4.23 -0.29 -0.24 115.64 115.94 3dmk s THR 304 Ca 0.12 -0.62 -0.16 0.00 -1.18 0.00 0.00 61.69 59.85 3dmk s THR 304 Cb -0.12 -1.22 -0.05 0.00 1.34 0.00 0.00 72.50 72.45 3dmk s THR 304 CO 0.02 0.01 0.41 -0.69 -0.54 0.00 0.00 174.62 173.83 3dmk s VAL 305 N 1.69 5.15 0.73 2.29 1.01 -1.26 -1.14 120.40 128.88 3dmk s VAL 305 Ca -0.00 0.82 -0.07 0.00 0.00 0.00 0.00 61.98 62.72 3dmk s VAL 305 Cb -0.16 -3.74 0.08 0.00 0.00 0.00 0.00 36.38 32.56 3dmk s VAL 305 CO -0.07 0.44 1.05 0.42 0.00 0.00 0.00 175.10 176.94 3dmk s THR 306 N -0.08 2.22 -0.25 3.92 -4.23 -0.18 -4.63 115.64 112.40 3dmk s THR 306 Ca 0.23 -0.25 -0.10 0.00 -1.18 0.00 0.00 61.69 60.39 3dmk s THR 306 Cb -0.15 -2.97 0.10 0.00 1.34 0.00 0.00 72.50 70.82 3dmk s THR 306 CO 0.10 0.00 0.56 0.00 -0.54 0.00 0.00 174.62 174.74 3dmk s ALA 307 N -3.32 -1.64 0.18 3.99 0.00 0.76 -3.67 121.76 118.06 3dmk s ALA 307 Ca 0.62 2.03 -0.33 0.00 0.00 0.00 0.00 51.96 54.28 3dmk s ALA 307 Cb -0.10 -1.48 -0.15 0.00 0.00 0.00 0.00 23.12 21.39 3dmk s ALA 307 CO 0.46 -0.69 1.23 -2.30 0.00 0.00 0.00 175.76 174.45 3dmk n PRO 308 N 5.07 1.33 -2.72 0.00 -0.02 -1.26 -0.60 135.00 136.80 3dmk n PRO 308 Ca -0.14 0.48 -0.41 0.00 -2.02 0.00 0.00 63.50 61.41 3dmk n PRO 308 Cb 0.52 -2.02 -0.05 0.00 -0.02 0.00 0.00 33.50 31.93 3dmk n PRO 308 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3dmk s LEU 309 N 0.55 4.56 -0.19 2.45 1.43 -1.26 -3.57 118.68 122.65 3dmk s LEU 309 Ca 0.73 1.88 -0.12 0.00 -1.03 0.00 0.00 54.13 55.60 3dmk s LEU 309 Cb -0.82 -3.60 0.06 0.00 0.03 0.00 0.00 46.19 41.86 3dmk s LEU 309 CO 0.51 0.01 0.47 -0.55 0.23 0.00 0.00 176.35 177.02 3dmk s SER 310 N -0.48 -0.59 0.27 2.29 0.15 0.17 -4.71 113.70 110.79 3dmk s SER 310 Ca 0.45 1.02 0.12 0.00 0.70 0.00 0.00 55.95 58.23 3dmk s SER 310 Cb -0.25 0.91 -0.05 0.00 -1.71 0.00 0.00 66.02 64.93 3dmk s SER 310 CO 0.31 -0.20 -0.18 0.00 1.20 0.00 0.00 173.24 174.37 3dmk s ALA 311 N 1.28 2.77 -0.29 5.45 0.00 -1.26 -0.69 121.76 129.02 3dmk s ALA 311 Ca -0.08 -1.82 -0.14 0.00 0.00 0.00 0.00 51.96 49.91 3dmk s ALA 311 Cb -0.07 -0.33 0.11 0.00 0.00 0.00 0.00 23.12 22.83 3dmk s ALA 311 CO -0.12 0.30 0.72 0.21 0.00 0.00 0.00 175.76 176.87 3dmk s LYS 312 N -3.42 0.62 -0.16 0.00 2.20 0.72 -4.65 119.74 115.05 3dmk s LYS 312 Ca 0.29 1.22 -0.10 0.00 -0.36 0.00 0.00 55.97 57.01 3dmk s LYS 312 Cb -0.06 0.37 -0.05 0.00 -1.51 0.00 0.00 37.83 36.59 3dmk s LYS 312 CO 0.15 -0.16 0.19 0.42 -0.36 0.00 0.00 175.35 175.59 3dmk s ILE 313 N 2.02 5.39 -0.21 5.43 1.01 -1.26 -0.04 121.20 133.54 3dmk s ILE 313 Ca -0.08 0.32 -0.03 0.00 0.00 0.00 0.00 60.65 60.86 3dmk s ILE 313 Cb -0.07 -3.50 -0.01 0.00 0.01 0.00 0.00 42.46 38.89 3dmk s ILE 313 CO -0.19 0.49 -0.07 -0.62 0.00 0.00 0.00 174.94 174.55 3dmk s ASP 314 N -0.08 4.15 0.45 3.58 2.15 0.28 -3.56 116.67 123.65 3dmk s ASP 314 Ca 0.13 -0.42 -0.01 0.00 0.43 0.00 0.00 52.55 52.68 3dmk s ASP 314 Cb -0.12 -1.70 -0.01 0.00 -0.30 0.00 0.00 42.92 40.79 3dmk s ASP 314 CO 0.02 -0.01 0.69 -2.16 -0.17 0.00 0.00 175.17 173.54 3dmk s PRO 315 N 1.39 3.16 0.29 4.34 0.04 -1.26 -1.15 135.00 141.81 3dmk s PRO 315 Ca 0.05 -0.33 0.01 0.00 0.04 0.00 0.00 61.00 60.77 3dmk s PRO 315 Cb -0.14 -2.52 0.45 0.00 0.04 0.00 0.00 34.50 32.32 3dmk s PRO 315 CO -0.04 -0.25 1.79 -1.35 0.04 0.00 0.00 177.00 177.19 3dmk h PRO 316 N 0.37 0.61 -2.75 0.56 0.11 -1.87 -3.43 132.00 125.60 3dmk h PRO 316 Ca -0.47 -0.17 -0.12 0.00 0.11 0.00 0.00 66.00 65.35 3dmk h PRO 316 Cb 1.24 -0.07 -0.23 0.00 0.11 0.00 0.00 31.00 32.05 3dmk h PRO 316 CO 0.59 0.69 -0.23 -0.08 -0.21 0.00 0.00 178.00 178.76 3dmk s THR 317 N -4.84 0.01 -0.00 -1.15 -1.32 -1.26 -1.15 115.64 105.92 3dmk s THR 317 Ca -0.08 -0.05 -0.09 0.00 -1.21 0.00 0.00 61.69 60.26 3dmk s THR 317 Cb 0.15 -0.59 0.01 0.00 -1.51 0.00 0.00 72.50 70.55 3dmk s THR 317 CO 0.79 -0.03 0.18 0.00 -2.21 0.00 0.00 174.62 173.36 3dmk s GLN 318 N 0.04 0.53 -0.27 7.08 -2.07 -0.75 -4.96 119.66 119.25 3dmk s GLN 318 Ca -0.02 -0.33 -0.02 0.00 -1.82 0.00 0.00 55.36 53.17 3dmk s GLN 318 Cb -0.03 0.22 0.03 0.00 -1.09 0.00 0.00 33.01 32.15 3dmk s GLN 318 CO 0.01 -0.13 -0.04 0.99 -1.32 0.00 0.00 175.29 174.80 3dmk s THR 319 N -1.34 2.92 0.01 3.63 2.01 -1.26 -0.37 115.64 121.23 3dmk s THR 319 Ca -0.14 -1.16 0.07 0.00 0.31 0.00 0.00 61.69 60.77 3dmk s THR 319 Cb -0.07 -2.56 -0.03 0.00 0.01 0.00 0.00 72.50 69.86 3dmk s THR 319 CO 0.02 0.08 -0.21 0.68 -0.69 0.00 0.00 174.62 174.51 3dmk s VAL 320 N 1.30 2.54 0.39 3.82 -7.23 -0.62 -4.39 120.40 116.21 3dmk s VAL 320 Ca -0.02 -1.12 -0.22 0.00 -1.81 0.00 0.00 61.98 58.82 3dmk s VAL 320 Cb -0.18 -2.00 -0.10 0.00 0.56 0.00 0.00 36.38 34.66 3dmk s VAL 320 CO -0.03 0.45 0.92 -1.81 -0.31 0.00 0.00 175.10 174.32 3dmk s ASP 321 N -1.07 7.02 0.26 4.85 1.01 -1.26 0.99 116.67 128.48 3dmk s ASP 321 Ca 0.12 1.67 -0.30 0.00 0.71 0.00 0.00 52.55 54.76 3dmk s ASP 321 Cb -0.10 -2.53 -0.13 0.00 1.01 0.00 0.00 42.92 41.16 3dmk s ASP 321 CO 0.02 -0.26 1.29 0.49 0.21 0.00 0.00 175.17 176.93 3dmk n PHE 322 N -0.27 1.96 0.00 4.23 3.72 -1.26 -1.41 117.46 124.43 3dmk n PHE 322 Ca 0.05 0.53 0.00 0.00 -0.05 0.00 0.00 57.45 57.98 3dmk n PHE 322 Cb 0.53 -2.40 0.00 0.00 -0.94 0.00 0.00 39.48 36.67 3dmk n PHE 322 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3dmk n GLY 323 N 1.67 3.07 3.90 1.37 0.00 0.41 -4.25 105.19 111.35 3dmk n GLY 323 Ca 0.10 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.84 3dmk n GLY 323 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dmk s ARG 324 N -0.31 3.61 0.42 1.61 1.81 -0.50 -4.11 118.95 121.48 3dmk s ARG 324 Ca 0.00 0.28 -0.21 0.00 -1.72 0.00 0.00 55.73 54.08 3dmk s ARG 324 Cb 0.00 -2.38 -0.11 0.00 -0.45 0.00 0.00 34.95 32.01 3dmk s ARG 324 CO 0.00 -0.16 0.96 -1.25 -0.68 0.00 0.00 175.30 174.17 3dmk s PRO 325 N -4.48 4.24 -0.09 3.54 0.04 -1.24 -0.87 135.00 136.14 3dmk s PRO 325 Ca 0.49 1.16 0.03 0.00 0.04 0.00 0.00 61.00 62.71 3dmk s PRO 325 Cb -0.10 -2.23 0.01 0.00 0.04 0.00 0.00 34.50 32.21 3dmk s PRO 325 CO 0.41 -0.03 -0.19 0.00 0.04 0.00 0.00 177.00 177.24 3dmk s ALA 326 N -2.11 1.81 -0.15 8.56 0.00 -0.19 -4.93 121.76 124.74 3dmk s ALA 326 Ca 0.61 -0.76 -0.00 0.00 0.00 0.00 0.00 51.96 51.81 3dmk s ALA 326 Cb -0.10 -0.74 -0.01 0.00 0.00 0.00 0.00 23.12 22.27 3dmk s ALA 326 CO 0.14 0.17 -0.13 0.08 0.00 0.00 0.00 175.76 176.02 3dmk s VAL 327 N 0.56 2.91 -0.10 0.00 1.01 -1.26 -0.65 120.40 122.86 3dmk s VAL 327 Ca -0.15 -0.70 0.02 0.00 0.00 0.00 0.00 61.98 61.16 3dmk s VAL 327 Cb -0.17 -2.23 -0.01 0.00 0.00 0.00 0.00 36.38 33.97 3dmk s VAL 327 CO 0.05 0.51 -0.18 -0.36 0.00 0.00 0.00 175.10 175.12 3dmk s PHE 328 N 0.67 2.67 -0.19 5.22 0.08 0.28 -4.54 117.98 122.16 3dmk s PHE 328 Ca -0.07 -0.71 -0.01 0.00 0.12 0.00 0.00 56.93 56.26 3dmk s PHE 328 Cb -0.15 -1.74 0.00 0.00 -0.57 0.00 0.00 43.02 40.56 3dmk s PHE 328 CO 0.02 -0.23 -0.13 0.99 -0.10 0.00 0.00 175.22 175.78 3dmk s THR 329 N 0.14 2.73 -0.36 0.64 2.01 -0.30 -0.71 115.64 119.79 3dmk s THR 329 Ca -0.09 -0.72 -0.20 0.00 0.31 0.00 0.00 61.69 60.98 3dmk s THR 329 Cb -0.16 -2.19 0.00 0.00 0.01 0.00 0.00 72.50 70.17 3dmk s THR 329 CO 0.06 0.49 0.62 0.00 -0.69 0.00 0.00 174.62 175.09 3dmk s GLN 331 N 2.67 4.07 0.05 0.00 -1.52 0.95 -4.83 119.66 121.03 3dmk s GLN 331 Ca 0.23 -0.25 0.01 0.00 -1.95 0.00 0.00 55.36 53.41 3dmk s GLN 331 Cb -0.15 -3.55 -0.03 0.00 -0.22 0.00 0.00 33.01 29.07 3dmk s GLN 331 CO 0.15 0.04 -0.06 1.52 -0.25 0.00 0.00 175.29 176.69 3dmk s TYR 332 N 1.11 0.60 0.08 0.91 -0.85 -1.26 -0.20 117.35 117.74 3dmk s TYR 332 Ca 0.08 -0.60 0.04 0.00 -0.52 0.00 0.00 57.07 56.07 3dmk s TYR 332 Cb -0.14 -0.37 -0.03 0.00 0.38 0.00 0.00 41.96 41.80 3dmk s TYR 332 CO 0.05 -0.14 -0.11 0.95 -1.52 0.00 0.00 175.55 174.78 3dmk s THR 333 N -1.87 0.98 0.00 -3.49 -4.23 0.13 -5.00 115.64 102.17 3dmk s THR 333 Ca -0.07 -1.47 0.00 0.00 -1.18 0.00 0.00 61.69 58.96 3dmk s THR 333 Cb -0.07 -1.19 0.00 0.00 1.34 0.00 0.00 72.50 72.58 3dmk s THR 333 CO -0.01 -0.42 0.00 0.61 -0.54 0.00 0.00 174.62 174.26 3dmk n GLY 334 N 0.89 3.84 3.17 3.99 0.00 -1.23 -0.66 105.19 115.19 3dmk n GLY 334 Ca -0.18 -1.73 -0.12 0.00 0.00 0.00 0.00 46.02 43.98 3dmk n GLY 334 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3dmk s ASN 335 N 0.00 -0.33 0.50 1.61 2.47 0.23 -4.48 114.94 114.94 3dmk s ASN 335 Ca 0.00 0.63 -0.04 0.00 0.42 0.00 0.00 52.86 53.86 3dmk s ASN 335 Cb 0.00 0.59 -0.02 0.00 -1.45 0.00 0.00 41.25 40.36 3dmk s ASN 335 CO 0.00 -0.13 0.79 -2.16 -3.72 0.00 0.00 177.10 171.88 3dmk s PRO 336 N 0.59 3.35 -0.22 0.43 0.04 -1.26 -0.17 135.00 137.76 3dmk s PRO 336 Ca -0.04 0.06 -0.05 0.00 0.04 0.00 0.00 61.00 61.01 3dmk s PRO 336 Cb -0.05 -2.39 -0.02 0.00 0.04 0.00 0.00 34.50 32.09 3dmk s PRO 336 CO -0.04 -0.30 0.00 0.42 0.04 0.00 0.00 177.00 177.12 3dmk s ILE 337 N -2.76 3.82 -0.22 0.56 -1.09 -1.26 -4.71 121.20 115.55 3dmk s ILE 337 Ca 0.48 -0.35 0.13 0.00 -2.23 0.00 0.00 60.65 58.69 3dmk s ILE 337 Cb -0.10 -2.75 -0.23 0.00 -1.58 0.00 0.00 42.46 37.80 3dmk s ILE 337 CO 0.44 0.40 -0.01 1.17 -1.23 0.00 0.00 174.94 175.71 3dmk n LYS 338 N 4.62 0.69 -3.34 2.79 3.00 -0.85 -4.95 118.16 120.11 3dmk n LYS 338 Ca -0.17 0.04 -0.08 0.00 -0.00 0.00 0.00 58.31 58.09 3dmk n LYS 338 Cb 0.51 -1.52 -0.08 0.00 0.00 0.00 0.00 35.03 33.95 3dmk n LYS 338 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 3dmk s THR 339 N -2.50 -0.63 -0.40 3.15 -4.23 -0.16 -5.01 115.64 105.87 3dmk s THR 339 Ca -0.17 -0.06 -0.15 0.00 -1.18 0.00 0.00 61.69 60.13 3dmk s THR 339 Cb 0.07 -0.82 0.02 0.00 1.34 0.00 0.00 72.50 73.10 3dmk s THR 339 CO 0.76 -0.11 0.29 -0.69 -0.54 0.00 0.00 174.62 174.33 3dmk s VAL 340 N 2.57 5.23 0.02 2.29 1.01 -1.26 -1.08 120.40 129.18 3dmk s VAL 340 Ca 0.13 -0.62 0.03 0.00 0.00 0.00 0.00 61.98 61.52 3dmk s VAL 340 Cb -0.15 -3.89 -0.02 0.00 0.00 0.00 0.00 36.38 32.33 3dmk s VAL 340 CO -0.16 -0.27 -0.10 -0.94 0.00 0.00 0.00 175.10 173.63 3dmk s SER 341 N 1.68 1.19 0.44 3.32 1.04 -0.06 -4.11 113.70 117.20 3dmk s SER 341 Ca 0.05 -0.34 0.04 0.00 0.48 0.00 0.00 55.95 56.18 3dmk s SER 341 Cb -0.19 -0.08 0.01 0.00 0.10 0.00 0.00 66.02 65.86 3dmk s SER 341 CO 0.10 0.01 0.63 0.26 0.98 0.00 0.00 173.24 175.22 3dmk s TRP 342 N -0.67 3.00 0.11 5.02 0.52 -0.54 -0.33 118.94 126.05 3dmk s TRP 342 Ca -0.00 -0.09 -0.20 0.00 0.02 0.00 0.00 56.10 55.83 3dmk s TRP 342 Cb -0.06 -2.37 0.05 0.00 -1.15 0.00 0.00 33.47 29.94 3dmk s TRP 342 CO 0.00 -0.43 0.50 1.41 0.02 0.00 0.00 176.95 178.45 3dmk s MET 343 N -4.47 1.12 -0.07 4.98 1.75 0.55 -3.53 119.30 119.63 3dmk s MET 343 Ca 0.51 -0.48 -0.03 0.00 -1.25 0.00 0.00 55.69 54.45 3dmk s MET 343 Cb -0.10 0.51 0.04 0.00 2.84 0.00 0.00 34.83 38.12 3dmk s MET 343 CO 0.35 -0.44 0.13 0.21 -0.65 0.00 0.00 175.02 174.62 3dmk s LYS 344 N -3.33 0.02 -1.16 4.11 2.36 0.08 -0.71 119.74 121.11 3dmk s LYS 344 Ca -0.00 0.45 -0.10 0.00 -2.55 0.00 0.00 55.97 53.77 3dmk s LYS 344 Cb 0.00 -0.29 0.01 0.00 -1.05 0.00 0.00 37.83 36.50 3dmk s LYS 344 CO -0.09 -0.27 0.19 -0.25 1.55 0.00 0.00 175.35 176.49 3dmk n ASP 345 N 4.96 -0.66 0.00 1.43 8.00 0.03 -1.88 116.55 128.44 3dmk n ASP 345 Ca -0.11 -1.05 0.00 0.00 0.71 0.00 0.00 54.79 54.34 3dmk n ASP 345 Cb 0.50 -1.28 0.00 0.00 -0.02 0.00 0.00 41.12 40.32 3dmk n ASP 345 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3dmk n GLY 346 N -2.15 2.32 3.77 0.44 0.00 -1.26 -4.76 105.19 103.56 3dmk n GLY 346 Ca -0.20 -0.47 -0.38 0.00 0.00 0.00 0.00 46.02 44.97 3dmk n GLY 346 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dmk s LYS 347 N 0.00 4.43 0.64 1.61 -0.14 -0.79 -4.94 119.74 120.55 3dmk s LYS 347 Ca 0.00 1.57 -0.11 0.00 -1.36 0.00 0.00 55.97 56.07 3dmk s LYS 347 Cb 0.00 -2.84 -0.03 0.00 -1.68 0.00 0.00 37.83 33.28 3dmk s LYS 347 CO 0.00 0.09 1.04 0.00 -0.76 0.00 0.00 175.35 175.71 3dmk s ALA 348 N -1.46 3.01 0.49 5.17 0.00 -1.26 -0.74 121.76 126.96 3dmk s ALA 348 Ca 0.51 -0.06 0.04 0.00 0.00 0.00 0.00 51.96 52.46 3dmk s ALA 348 Cb -0.25 -3.10 -0.01 0.00 0.00 0.00 0.00 23.12 19.76 3dmk s ALA 348 CO 0.31 -0.81 0.15 0.96 0.00 0.00 0.00 175.76 176.37 3dmk s ILE 349 N -3.15 1.60 -0.74 0.00 -4.36 -1.23 -4.76 121.20 108.55 3dmk s ILE 349 Ca 0.56 -1.80 0.26 0.00 -0.26 0.00 0.00 60.65 59.41 3dmk s ILE 349 Cb -0.12 -2.40 0.28 0.00 1.25 0.00 0.00 42.46 41.48 3dmk s ILE 349 CO 0.54 0.00 1.78 0.61 0.24 0.00 0.00 174.94 178.11 3dmk n GLY 350 N -1.37 -1.70 3.69 6.27 0.00 -1.26 -4.74 105.19 106.08 3dmk n GLY 350 Ca -0.09 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 3dmk n GLY 350 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3dmk s HIS 351 N -3.10 3.15 -0.13 1.61 5.04 -1.26 -4.92 115.29 115.68 3dmk s HIS 351 Ca 0.11 1.11 0.16 0.00 -1.54 0.00 0.00 55.06 54.90 3dmk s HIS 351 Cb 0.13 -3.50 0.41 0.00 0.04 0.00 0.00 32.58 29.66 3dmk s HIS 351 CO 0.59 -1.68 1.20 -1.13 -2.34 0.00 0.00 174.74 171.38 3dmk n SER 352 N 4.90 1.45 -4.40 9.88 3.41 -1.26 -1.46 113.62 126.13 3dmk n SER 352 Ca 0.11 -3.17 -0.25 0.00 -0.26 0.00 0.00 58.87 55.29 3dmk n SER 352 Cb 0.45 -0.44 -0.12 0.00 -0.26 0.00 0.00 64.21 63.85 3dmk n SER 352 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3dmk s GLU 353 N -2.02 1.45 0.18 4.33 0.41 -1.26 -4.69 118.70 117.11 3dmk s GLU 353 Ca 0.36 -1.50 -0.17 0.00 -0.41 0.00 0.00 54.97 53.25 3dmk s GLU 353 Cb 0.37 -1.69 0.15 0.00 -1.78 0.00 0.00 34.13 31.17 3dmk s GLU 353 CO -0.10 0.36 1.64 0.66 -0.49 0.00 0.00 175.26 177.32 3dmk h SER 354 N 3.18 -0.60 -3.57 -0.19 4.64 -1.90 -3.38 113.55 111.73 3dmk h SER 354 Ca -0.45 0.16 -0.67 0.00 -0.47 0.00 0.00 61.79 60.37 3dmk h SER 354 Cb 1.21 0.36 -0.16 0.00 -0.31 0.00 0.00 62.40 63.49 3dmk h SER 354 CO 0.49 -0.20 -0.02 -0.69 -0.87 0.00 0.00 176.83 175.54 3dmk s VAL 355 N -6.18 4.95 -0.14 0.95 1.01 -1.26 -1.92 120.40 117.80 3dmk s VAL 355 Ca -0.14 -0.02 -0.20 0.00 0.00 0.00 0.00 61.98 61.61 3dmk s VAL 355 Cb 0.16 -4.11 -0.03 0.00 0.00 0.00 0.00 36.38 32.39 3dmk s VAL 355 CO 0.71 -0.48 0.58 -0.22 0.00 0.00 0.00 175.10 175.69 3dmk s LEU 356 N 2.52 4.23 -0.21 3.92 1.98 0.11 -4.97 118.68 126.25 3dmk s LEU 356 Ca 0.18 0.88 -0.00 0.00 -2.89 0.00 0.00 54.13 52.30 3dmk s LEU 356 Cb -0.15 -2.84 0.06 0.00 0.66 0.00 0.00 46.19 43.92 3dmk s LEU 356 CO 0.16 -0.13 -0.03 -0.60 -1.89 0.00 0.00 176.35 173.86 3dmk s ARG 357 N 1.18 1.33 -0.22 1.98 6.06 -1.26 -0.55 118.95 127.46 3dmk s ARG 357 Ca 0.29 -0.76 -0.25 0.00 -2.50 0.00 0.00 55.73 52.50 3dmk s ARG 357 Cb -0.16 -2.37 -0.01 0.00 0.06 0.00 0.00 34.95 32.47 3dmk s ARG 357 CO 0.12 -0.59 0.85 0.42 -2.50 0.00 0.00 175.30 173.61 3dmk s ILE 358 N 1.56 4.83 0.14 4.11 1.01 0.18 -4.96 121.20 128.07 3dmk s ILE 358 Ca -0.04 1.64 -0.03 0.00 0.00 0.00 0.00 60.65 62.22 3dmk s ILE 358 Cb -0.18 -4.14 -0.16 0.00 0.01 0.00 0.00 42.46 37.99 3dmk s ILE 358 CO -0.07 -0.06 1.34 -0.33 0.00 0.00 0.00 174.94 175.83 3dmk h GLU 359 N 7.56 0.40 -1.81 2.79 5.08 -1.90 -0.50 114.58 126.21 3dmk h GLU 359 Ca -0.24 -0.40 -0.18 0.00 -1.00 0.00 0.00 59.36 57.54 3dmk h GLU 359 Cb 1.10 0.11 -0.29 0.00 0.50 0.00 0.00 28.75 30.16 3dmk h GLU 359 CO 0.88 1.06 -0.52 0.45 -1.00 0.00 0.00 179.01 179.88 3dmk s SER 360 N -7.04 0.40 0.43 1.42 0.15 -1.26 -3.65 113.70 104.15 3dmk s SER 360 Ca -0.06 -0.14 -0.24 0.00 0.70 0.00 0.00 55.95 56.21 3dmk s SER 360 Cb 0.09 1.08 -0.08 0.00 -1.71 0.00 0.00 66.02 65.40 3dmk s SER 360 CO 0.86 -0.33 1.19 -0.69 1.20 0.00 0.00 173.24 175.46 3dmk s VAL 361 N 2.54 3.05 0.23 4.45 1.01 -0.05 -4.76 120.40 126.86 3dmk s VAL 361 Ca 0.11 0.84 -0.07 0.00 0.00 0.00 0.00 61.98 62.86 3dmk s VAL 361 Cb -0.14 -3.45 -0.02 0.00 0.00 0.00 0.00 36.38 32.77 3dmk s VAL 361 CO -0.24 0.04 0.31 -1.59 0.00 0.00 0.00 175.10 173.62 3dmk s LYS 362 N -2.50 1.39 0.17 2.72 -2.85 -1.26 -0.45 119.74 116.96 3dmk s LYS 362 Ca 0.60 -1.44 -0.19 0.00 -1.00 0.00 0.00 55.97 53.94 3dmk s LYS 362 Cb -0.31 0.37 0.09 0.00 -2.06 0.00 0.00 37.83 35.93 3dmk s LYS 362 CO 0.38 -0.52 1.27 1.17 0.10 0.00 0.00 175.35 177.75 3dmk n LYS 363 N -0.33 -0.26 0.17 1.78 4.81 -1.26 0.08 118.16 123.14 3dmk n LYS 363 Ca 0.00 1.26 0.11 0.00 -0.87 0.00 0.00 58.31 58.81 3dmk n LYS 363 Cb 0.64 -1.86 0.60 0.00 0.02 0.00 0.00 35.03 34.43 3dmk n LYS 363 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 3dmk n GLU 364 N -5.14 0.15 0.00 1.64 0.00 -1.26 -1.35 120.64 114.68 3dmk n GLU 364 Ca 0.06 0.63 0.13 0.00 0.00 0.00 0.00 57.16 57.97 3dmk n GLU 364 Cb 0.28 -1.97 0.63 0.00 0.00 0.00 0.00 31.44 30.38 3dmk n GLU 364 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3dmk n ASP 365 N -2.28 0.00 -4.74 -1.84 10.43 0.11 -4.88 116.55 113.35 3dmk n ASP 365 Ca -0.01 0.08 -0.35 0.00 2.57 0.00 0.00 54.79 57.08 3dmk n ASP 365 Cb 0.05 -0.35 0.06 0.00 1.84 0.00 0.00 41.12 42.72 3dmk n ASP 365 CO 0.00 0.00 0.00 -1.59 -1.07 0.00 0.00 177.20 174.54 3dmk s LYS 366 N -2.70 2.59 0.00 -1.24 -2.85 -0.46 -4.83 119.74 110.26 3dmk s LYS 366 Ca 0.21 1.76 0.00 0.00 -1.00 0.00 0.00 55.97 56.94 3dmk s LYS 366 Cb 0.17 -1.89 0.00 0.00 -2.06 0.00 0.00 37.83 34.06 3dmk s LYS 366 CO 0.42 -1.49 0.00 0.41 0.10 0.00 0.00 175.35 174.79 3dmk n GLY 367 N 0.36 -0.20 3.80 0.59 0.00 -0.51 -4.96 105.19 104.27 3dmk n GLY 367 Ca 0.13 -2.22 -0.37 0.00 0.00 0.00 0.00 46.02 43.56 3dmk n GLY 367 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3dmk s MET 368 N 0.00 3.95 -0.28 1.61 -1.94 -1.26 -0.72 119.30 120.66 3dmk s MET 368 Ca 0.00 0.20 0.03 0.00 -1.71 0.00 0.00 55.69 54.21 3dmk s MET 368 Cb 0.00 -3.29 0.08 0.00 2.01 0.00 0.00 34.83 33.62 3dmk s MET 368 CO 0.00 0.53 -0.04 0.71 -0.01 0.00 0.00 175.02 176.22 3dmk s TYR 369 N -0.48 3.18 0.20 -0.03 2.02 0.23 -0.79 117.35 121.69 3dmk s TYR 369 Ca 0.20 -2.41 -0.11 0.00 -0.37 0.00 0.00 57.07 54.37 3dmk s TYR 369 Cb -0.14 -2.17 -0.07 0.00 -0.40 0.00 0.00 41.96 39.17 3dmk s TYR 369 CO 0.08 -0.88 0.55 -0.65 -1.57 0.00 0.00 175.55 173.08 3dmk s GLN 370 N 1.12 3.87 -0.13 -0.62 -0.21 0.11 -2.92 119.66 120.88 3dmk s GLN 370 Ca -0.01 0.36 0.02 0.00 0.02 0.00 0.00 55.36 55.76 3dmk s GLN 370 Cb -0.19 -2.75 0.00 0.00 1.00 0.00 0.00 33.01 31.07 3dmk s GLN 370 CO -0.07 0.38 -0.21 0.00 -2.12 0.00 0.00 175.29 173.27 3dmk s PHE 372 N 0.60 3.01 -0.24 0.00 2.99 0.55 -0.60 117.98 124.29 3dmk s PHE 372 Ca -0.11 -0.08 0.00 0.00 0.00 0.00 0.00 56.93 56.74 3dmk s PHE 372 Cb -0.16 -1.82 0.06 0.00 0.00 0.00 0.00 43.02 41.10 3dmk s PHE 372 CO 0.03 0.21 -0.02 0.14 -0.00 0.00 0.00 175.22 175.58 3dmk s VAL 373 N -0.38 1.35 0.14 -0.44 -7.23 0.48 -0.88 120.40 113.43 3dmk s VAL 373 Ca 0.06 -1.18 0.04 0.00 -1.81 0.00 0.00 61.98 59.10 3dmk s VAL 373 Cb -0.12 -1.70 -0.04 0.00 0.56 0.00 0.00 36.38 35.07 3dmk s VAL 373 CO 0.02 -0.19 -0.10 0.00 -0.31 0.00 0.00 175.10 174.53 3dmk s ARG 374 N 1.47 1.02 0.00 4.82 1.70 -0.24 -0.30 118.95 127.42 3dmk s ARG 374 Ca -0.03 -1.41 0.00 0.00 -0.47 0.00 0.00 55.73 53.82 3dmk s ARG 374 Cb -0.18 -0.59 0.00 0.00 -0.57 0.00 0.00 34.95 33.60 3dmk s ARG 374 CO -0.08 0.07 0.00 0.27 -1.08 0.00 0.00 175.30 174.48 3dmk n ASN 375 N -0.10 0.00 -0.05 -2.89 0.23 -0.19 -0.99 115.26 111.28 3dmk n ASN 375 Ca -0.11 0.00 -0.15 0.00 -0.53 0.00 0.00 54.58 53.79 3dmk n ASN 375 Cb 0.60 0.00 -0.07 0.00 -2.08 0.00 0.00 39.78 38.23 3dmk n ASN 375 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 3dmk h ASP 376 N 0.00 0.70 0.00 0.53 5.19 -2.00 -3.37 116.42 117.46 3dmk h ASP 376 Ca 0.00 -0.58 0.00 0.00 -0.62 0.00 0.00 57.03 55.83 3dmk h ASP 376 Cb 0.00 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 39.31 3dmk h ASP 376 CO 0.00 1.15 -0.58 0.54 -3.12 0.00 0.00 179.24 177.23 3dmk n ARG 377 N -4.22 3.26 -4.16 3.56 5.12 -1.26 -5.04 116.66 113.91 3dmk n ARG 377 Ca -0.06 -0.01 -0.10 0.00 -1.93 0.00 0.00 57.85 55.74 3dmk n ARG 377 Cb 0.57 -1.02 -0.10 0.00 -1.16 0.00 0.00 32.46 30.75 3dmk n ARG 377 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 3dmk s GLU 378 N -2.05 0.91 -0.26 5.56 2.02 -1.26 -4.92 118.70 118.70 3dmk s GLU 378 Ca 0.03 -1.42 -0.06 0.00 0.02 0.00 0.00 54.97 53.55 3dmk s GLU 378 Cb 0.08 0.06 0.13 0.00 0.10 0.00 0.00 34.13 34.50 3dmk s GLU 378 CO 0.43 -0.18 0.52 -1.54 0.02 0.00 0.00 175.26 174.51 3dmk s SER 379 N -3.06 -0.67 -0.10 -0.19 1.04 -1.26 -1.02 113.70 108.45 3dmk s SER 379 Ca 0.20 0.98 -0.01 0.00 0.48 0.00 0.00 55.95 57.60 3dmk s SER 379 Cb 0.07 1.76 -0.03 0.00 0.10 0.00 0.00 66.02 67.92 3dmk s SER 379 CO -0.00 -0.25 -0.04 0.00 0.98 0.00 0.00 173.24 173.93 3dmk s ALA 380 N 2.74 3.07 0.20 5.32 0.00 0.59 -4.65 121.76 129.03 3dmk s ALA 380 Ca 0.05 -0.85 0.11 0.00 0.00 0.00 0.00 51.96 51.27 3dmk s ALA 380 Cb -0.13 -1.38 -0.04 0.00 0.00 0.00 0.00 23.12 21.56 3dmk s ALA 380 CO -0.17 0.48 -0.21 -1.83 0.00 0.00 0.00 175.76 174.03 3dmk s GLU 381 N -0.53 1.62 -0.04 0.00 4.04 -1.26 -0.39 118.70 122.14 3dmk s GLU 381 Ca 0.08 -1.51 -0.04 0.00 0.04 0.00 0.00 54.97 53.55 3dmk s GLU 381 Cb -0.12 -1.89 0.01 0.00 0.02 0.00 0.00 34.13 32.16 3dmk s GLU 381 CO 0.02 0.40 0.11 0.00 -1.84 0.00 0.00 175.26 173.95 3dmk s ALA 382 N -1.76 -0.27 0.28 -0.84 0.00 0.23 -4.30 121.76 115.10 3dmk s ALA 382 Ca 0.22 0.36 0.09 0.00 0.00 0.00 0.00 51.96 52.64 3dmk s ALA 382 Cb -0.08 -0.22 -0.04 0.00 0.00 0.00 0.00 23.12 22.78 3dmk s ALA 382 CO 0.11 -0.07 0.01 0.45 0.00 0.00 0.00 175.76 176.26 3dmk s SER 383 N 0.22 4.53 -0.00 0.00 0.15 -1.26 -0.09 113.70 117.24 3dmk s SER 383 Ca -0.01 -0.68 -0.28 0.00 0.70 0.00 0.00 55.95 55.68 3dmk s SER 383 Cb -0.02 -0.81 0.09 0.00 -1.71 0.00 0.00 66.02 63.57 3dmk s SER 383 CO -0.01 -0.04 0.80 0.00 1.20 0.00 0.00 173.24 175.20 3dmk s ALA 384 N -2.35 -1.78 0.07 5.45 0.00 -1.15 -4.43 121.76 117.57 3dmk s ALA 384 Ca 0.32 1.05 0.07 0.00 0.00 0.00 0.00 51.96 53.40 3dmk s ALA 384 Cb -0.06 0.25 -0.03 0.00 0.00 0.00 0.00 23.12 23.28 3dmk s ALA 384 CO 0.20 -0.58 -0.19 -2.00 0.00 0.00 0.00 175.76 173.19 3dmk s GLU 385 N -2.56 1.14 -0.23 0.00 2.12 -0.30 -0.60 118.70 118.26 3dmk s GLU 385 Ca 0.00 -1.00 0.01 0.00 0.36 0.00 0.00 54.97 54.34 3dmk s GLU 385 Cb -0.01 -1.28 0.04 0.00 0.26 0.00 0.00 34.13 33.14 3dmk s GLU 385 CO -0.05 0.31 -0.12 -1.17 -0.54 0.00 0.00 175.26 173.69 3dmk s LEU 386 N -1.52 2.97 0.07 2.70 2.96 0.11 -1.82 118.68 124.16 3dmk s LEU 386 Ca 0.05 -1.00 -0.06 0.00 -0.22 0.00 0.00 54.13 52.90 3dmk s LEU 386 Cb -0.09 -1.57 -0.05 0.00 0.50 0.00 0.00 46.19 44.98 3dmk s LEU 386 CO 0.03 -0.11 0.33 -0.54 -1.32 0.00 0.00 176.35 174.73 3dmk s LYS 387 N 1.23 3.63 -1.45 1.98 1.02 0.50 -1.43 119.74 125.23 3dmk s LYS 387 Ca -0.02 -0.04 -0.12 0.00 0.02 0.00 0.00 55.97 55.81 3dmk s LYS 387 Cb -0.17 -2.98 -0.04 0.00 -0.52 0.00 0.00 37.83 34.12 3dmk s LYS 387 CO -0.07 0.57 2.54 1.28 -0.92 0.00 0.00 175.35 178.74 3dmk n LEU 388 N 0.67 7.40 0.00 3.17 4.77 -1.26 -1.59 117.00 130.17 3dmk n LEU 388 Ca -0.07 -4.05 0.00 0.00 -0.03 0.00 0.00 56.01 51.85 3dmk n LEU 388 Cb 0.52 -1.53 0.00 0.00 -2.33 0.00 0.00 43.42 40.08 3dmk n LEU 388 CO 0.45 1.42 0.00 0.61 -1.33 0.00 0.00 177.39 178.53 3dmk n GLY 389 N 3.86 1.73 0.15 -0.72 0.00 0.28 -4.77 105.19 105.73 3dmk n GLY 389 Ca 0.64 0.49 0.02 0.00 0.00 0.00 0.00 46.02 47.16 3dmk n GLY 389 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dmk n GLY 390 N 0.00 -1.56 2.36 -0.02 0.00 -1.26 -4.68 105.19 100.03 3dmk n GLY 390 Ca 0.00 -1.49 -0.09 0.00 0.00 0.00 0.00 46.02 44.45 3dmk n GLY 390 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3dmk n ARG 391 N -1.80 -2.30 -2.74 1.61 0.63 -1.26 -4.82 116.66 105.98 3dmk n ARG 391 Ca -0.00 0.44 -0.09 0.00 -0.92 0.00 0.00 57.85 57.28 3dmk n ARG 391 Cb 0.07 -4.96 0.09 0.00 0.45 0.00 0.00 32.46 28.11 3dmk n ARG 391 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 3dmk n PHE 392 N -2.95 -2.49 -2.11 -0.14 -0.00 -1.26 -5.13 117.46 103.39 3dmk n PHE 392 Ca -0.10 -2.16 -0.41 0.00 -0.00 0.00 0.00 57.45 54.78 3dmk n PHE 392 Cb 0.54 1.48 -0.03 0.00 -0.00 0.00 0.00 39.48 41.47 3dmk n PHE 392 CO 0.00 0.00 0.00 0.16 -0.00 0.00 0.00 176.76 176.92 3dmk s ASP 393 N -1.35 6.76 0.86 -2.13 -4.77 -1.22 -4.88 116.67 109.93 3dmk s ASP 393 Ca 0.23 2.54 -0.12 0.00 -3.30 0.00 0.00 52.55 51.90 3dmk s ASP 393 Cb 0.34 -2.62 0.11 0.00 -1.09 0.00 0.00 42.92 39.66 3dmk s ASP 393 CO -0.06 -0.62 1.17 -2.16 0.70 0.00 0.00 175.17 174.19 3dmk s PRO 394 N -0.22 1.58 0.20 2.11 0.04 -1.26 -0.54 135.00 136.91 3dmk s PRO 394 Ca 0.58 0.17 -0.30 0.00 0.04 0.00 0.00 61.00 61.49 3dmk s PRO 394 Cb -0.39 -1.90 -0.09 0.00 0.04 0.00 0.00 34.50 32.16 3dmk s PRO 394 CO 0.41 -1.87 1.36 -1.25 0.04 0.00 0.00 177.00 175.68 3dmk s PRO 395 N -5.47 4.35 0.05 0.56 0.04 -1.26 -4.41 135.00 128.85 3dmk s PRO 395 Ca 0.63 2.12 0.02 0.00 0.04 0.00 0.00 61.00 63.81 3dmk s PRO 395 Cb -0.12 -3.18 -0.03 0.00 0.04 0.00 0.00 34.50 31.21 3dmk s PRO 395 CO 0.51 -0.32 -0.08 0.08 0.04 0.00 0.00 177.00 177.23 3dmk s VAL 396 N 0.23 0.57 -0.26 -0.36 1.01 0.24 -4.50 120.40 117.34 3dmk s VAL 396 Ca 0.59 -1.19 -0.06 0.00 0.00 0.00 0.00 61.98 61.32 3dmk s VAL 396 Cb -0.38 -0.75 -0.01 0.00 0.00 0.00 0.00 36.38 35.25 3dmk s VAL 396 CO 0.38 -0.44 0.04 0.27 0.00 0.00 0.00 175.10 175.35 3dmk s ILE 397 N -1.65 3.88 0.00 2.22 -5.25 -1.26 0.02 121.20 119.16 3dmk s ILE 397 Ca -0.07 -0.47 0.00 0.00 -0.99 0.00 0.00 60.65 59.12 3dmk s ILE 397 Cb -0.08 -2.87 0.00 0.00 2.95 0.00 0.00 42.46 42.46 3dmk s ILE 397 CO -0.00 0.27 0.00 0.54 -1.79 0.00 0.00 174.94 173.96 3dmk n ARG 398 N 4.86 0.00 -2.65 0.37 1.74 0.03 -4.80 116.66 116.21 3dmk n ARG 398 Ca -0.16 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.50 3dmk n ARG 398 Cb 0.50 -0.05 -0.03 0.00 -1.02 0.00 0.00 32.46 31.86 3dmk n ARG 398 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3dmk s GLN 399 N 0.00 3.25 0.07 5.56 -1.52 -1.20 -4.95 119.66 120.87 3dmk s GLN 399 Ca 0.00 -0.28 0.09 0.00 -1.95 0.00 0.00 55.36 53.22 3dmk s GLN 399 Cb 0.00 -4.15 -0.03 0.00 -0.22 0.00 0.00 33.01 28.61 3dmk s GLN 399 CO 0.00 -1.93 -0.24 0.00 -0.25 0.00 0.00 175.29 172.88 3dmk s ALA 400 N 5.07 2.05 0.60 6.09 0.00 -1.26 -0.79 121.76 133.51 3dmk s ALA 400 Ca 0.33 -1.24 -0.19 0.00 0.00 0.00 0.00 51.96 50.86 3dmk s ALA 400 Cb -0.10 -0.37 -0.03 0.00 0.00 0.00 0.00 23.12 22.61 3dmk s ALA 400 CO 0.16 0.46 1.20 -0.59 0.00 0.00 0.00 175.76 177.00 3dmk s PHE 401 N -0.92 2.39 0.44 0.00 -0.71 -0.22 -4.99 117.98 113.97 3dmk s PHE 401 Ca 0.10 1.52 0.06 0.00 -1.04 0.00 0.00 56.93 57.57 3dmk s PHE 401 Cb -0.10 -3.47 -0.05 0.00 -1.21 0.00 0.00 43.02 38.19 3dmk s PHE 401 CO 0.03 -2.21 0.06 1.14 -1.34 0.00 0.00 175.22 172.91 3dmk s GLN 402 N -3.37 2.09 0.51 1.99 -2.07 -1.26 -4.86 119.66 112.68 3dmk s GLN 402 Ca 0.77 -2.12 -0.22 0.00 -1.82 0.00 0.00 55.36 51.97 3dmk s GLN 402 Cb -0.30 -1.71 -0.07 0.00 -1.09 0.00 0.00 33.01 29.85 3dmk s GLN 402 CO 0.34 -0.17 1.24 -1.91 -1.32 0.00 0.00 175.29 173.47 3dmk n GLU 403 N -1.13 1.59 -3.71 9.60 2.13 -1.26 -4.79 120.64 123.07 3dmk n GLU 403 Ca -0.07 0.58 -0.12 0.00 0.66 0.00 0.00 57.16 58.21 3dmk n GLU 403 Cb 0.66 -2.41 -0.07 0.00 0.27 0.00 0.00 31.44 29.89 3dmk n GLU 403 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 3dmk s GLU 404 N -2.61 0.86 0.04 5.31 2.12 -0.30 -4.98 118.70 119.14 3dmk s GLU 404 Ca 0.69 -0.44 0.03 0.00 0.36 0.00 0.00 54.97 55.61 3dmk s GLU 404 Cb -0.45 0.38 -0.02 0.00 0.26 0.00 0.00 34.13 34.30 3dmk s GLU 404 CO 0.52 -0.29 -0.10 0.99 -0.54 0.00 0.00 175.26 175.84 3dmk s THR 405 N -2.51 0.73 0.21 -1.70 2.01 -1.26 -0.93 115.64 112.19 3dmk s THR 405 Ca -0.05 -0.95 -0.23 0.00 0.31 0.00 0.00 61.69 60.77 3dmk s THR 405 Cb -0.01 -0.72 0.05 0.00 0.01 0.00 0.00 72.50 71.82 3dmk s THR 405 CO -0.03 -0.19 0.87 0.00 -0.69 0.00 0.00 174.62 174.58 3dmk s MET 406 N -1.26 1.47 0.12 4.92 0.00 0.31 -4.93 119.30 119.93 3dmk s MET 406 Ca -0.04 -0.83 0.01 0.00 0.00 0.00 0.00 55.69 54.83 3dmk s MET 406 Cb -0.08 0.49 -0.04 0.00 0.00 0.00 0.00 34.83 35.20 3dmk s MET 406 CO 0.01 -0.67 0.27 -1.83 0.00 0.00 0.00 175.02 172.79 3dmk s GLU 407 N -3.41 3.46 0.73 3.16 -1.05 -1.26 -0.78 118.70 119.54 3dmk s GLU 407 Ca 0.12 -0.48 -0.13 0.00 -0.15 0.00 0.00 54.97 54.33 3dmk s GLU 407 Cb -0.03 -2.98 0.04 0.00 -0.44 0.00 0.00 34.13 30.72 3dmk s GLU 407 CO 0.05 0.54 1.11 -1.25 0.95 0.00 0.00 175.26 176.66 3dmk s PRO 408 N -2.93 2.40 0.00 -4.83 0.04 -1.26 -4.40 135.00 124.03 3dmk s PRO 408 Ca 0.35 1.35 0.00 0.00 0.04 0.00 0.00 61.00 62.74 3dmk s PRO 408 Cb -0.12 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.52 3dmk s PRO 408 CO 0.28 -1.55 0.00 0.41 0.04 0.00 0.00 177.00 176.18 3dmk n GLY 409 N -0.65 2.25 3.69 0.56 0.00 -0.12 -5.01 105.19 105.91 3dmk n GLY 409 Ca 0.10 -0.61 -0.31 0.00 0.00 0.00 0.00 46.02 45.20 3dmk n GLY 409 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3dmk s PRO 410 N 0.00 1.26 0.19 1.61 0.04 -1.26 -3.95 135.00 132.89 3dmk s PRO 410 Ca 0.00 1.44 -0.30 0.00 0.04 0.00 0.00 61.00 62.18 3dmk s PRO 410 Cb 0.00 -1.76 -0.08 0.00 0.04 0.00 0.00 34.50 32.70 3dmk s PRO 410 CO 0.00 -2.42 0.96 -1.12 0.04 0.00 0.00 177.00 174.46 3dmk s SER 411 N -2.85 7.56 -0.06 6.66 0.01 -1.25 -1.47 113.70 122.31 3dmk s SER 411 Ca 0.65 1.90 0.04 0.00 1.31 0.00 0.00 55.95 59.85 3dmk s SER 411 Cb -0.21 -2.60 -0.02 0.00 0.21 0.00 0.00 66.02 63.39 3dmk s SER 411 CO 0.58 0.04 -0.16 -0.69 0.41 0.00 0.00 173.24 173.42 3dmk s VAL 412 N -0.67 2.90 -0.34 3.43 1.01 -0.43 -4.94 120.40 121.36 3dmk s VAL 412 Ca 0.44 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.65 3dmk s VAL 412 Cb -0.25 -2.13 0.11 0.00 0.00 0.00 0.00 36.38 34.10 3dmk s VAL 412 CO 0.32 0.58 0.11 -0.36 0.00 0.00 0.00 175.10 175.75 3dmk s PHE 413 N -0.54 2.22 -0.03 5.22 0.08 -1.26 -0.58 117.98 123.08 3dmk s PHE 413 Ca 0.07 -2.15 -0.18 0.00 0.12 0.00 0.00 56.93 54.80 3dmk s PHE 413 Cb -0.11 -2.02 -0.05 0.00 -0.57 0.00 0.00 43.02 40.26 3dmk s PHE 413 CO 0.01 -0.88 0.50 -0.51 -0.10 0.00 0.00 175.22 174.24 3dmk s LEU 414 N 1.22 4.40 -0.09 -0.37 1.43 -0.20 -4.95 118.68 120.11 3dmk s LEU 414 Ca 0.11 0.99 0.03 0.00 -1.03 0.00 0.00 54.13 54.23 3dmk s LEU 414 Cb -0.19 -2.74 0.01 0.00 0.03 0.00 0.00 46.19 43.30 3dmk s LEU 414 CO -0.17 0.15 -0.17 -0.75 0.23 0.00 0.00 176.35 175.64 3dmk s LYS 415 N -0.26 2.36 -0.29 1.70 2.20 -1.26 -0.17 119.74 124.01 3dmk s LYS 415 Ca 0.27 -0.63 0.03 0.00 -0.36 0.00 0.00 55.97 55.28 3dmk s LYS 415 Cb -0.17 -1.89 0.07 0.00 -1.51 0.00 0.00 37.83 34.34 3dmk s LYS 415 CO 0.14 0.05 -0.05 0.00 -0.36 0.00 0.00 175.35 175.13 3dmk s VAL 417 N 1.03 5.14 -0.05 0.00 1.01 0.03 -1.21 120.40 126.35 3dmk s VAL 417 Ca -0.02 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.26 3dmk s VAL 417 Cb -0.20 -4.10 -0.03 0.00 0.00 0.00 0.00 36.38 32.05 3dmk s VAL 417 CO -0.06 -0.53 -0.03 0.00 0.00 0.00 0.00 175.10 174.49 3dmk s ALA 418 N 1.94 3.16 0.41 5.51 0.00 0.40 -0.79 121.76 132.39 3dmk s ALA 418 Ca 0.08 -0.90 0.07 0.00 0.00 0.00 0.00 51.96 51.22 3dmk s ALA 418 Cb -0.21 -1.32 -0.07 0.00 0.00 0.00 0.00 23.12 21.52 3dmk s ALA 418 CO 0.10 0.60 0.05 0.20 0.00 0.00 0.00 175.76 176.72 3dmk s GLY 419 N -1.11 2.45 0.00 0.00 0.00 0.10 -0.04 107.32 108.73 3dmk s GLY 419 Ca 0.15 -2.25 0.00 0.00 0.00 0.00 0.00 44.72 42.62 3dmk s GLY 419 CO 0.05 -2.05 0.00 0.61 0.00 0.00 0.00 173.10 171.71 3dmk n GLY 420 N -1.04 1.00 2.60 0.20 0.00 -1.26 -0.59 105.19 106.11 3dmk n GLY 420 Ca -0.04 -1.38 -0.28 0.00 0.00 0.00 0.00 46.02 44.33 3dmk n GLY 420 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3dmk s ASN 421 N 0.00 2.94 1.03 1.61 3.84 0.30 -3.56 114.94 121.11 3dmk s ASN 421 Ca 0.00 -0.94 -0.15 0.00 0.21 0.00 0.00 52.86 51.98 3dmk s ASN 421 Cb 0.00 -0.35 0.20 0.00 -0.55 0.00 0.00 41.25 40.55 3dmk s ASN 421 CO 0.00 -0.38 1.13 -2.84 -2.79 0.00 0.00 177.10 172.22 3dmk s PRO 422 N 2.07 0.17 -0.07 0.43 0.02 -1.26 -3.45 135.00 132.90 3dmk s PRO 422 Ca 0.05 0.20 -0.30 0.00 0.02 0.00 0.00 61.00 60.97 3dmk s PRO 422 Cb -0.16 -1.74 -0.05 0.00 0.02 0.00 0.00 34.50 32.58 3dmk s PRO 422 CO -0.20 -2.84 1.58 0.99 -0.33 0.00 0.00 177.00 176.20 3dmk s THR 423 N -3.15 3.71 0.75 0.99 2.01 -1.23 -4.85 115.64 113.87 3dmk s THR 423 Ca 0.67 0.87 -0.11 0.00 0.31 0.00 0.00 61.69 63.43 3dmk s THR 423 Cb -0.14 -3.56 0.05 0.00 0.01 0.00 0.00 72.50 68.86 3dmk s THR 423 CO 0.55 -0.08 1.13 -2.16 -0.69 0.00 0.00 174.62 173.38 3dmk s PRO 424 N 3.90 2.37 -0.05 4.92 0.05 -1.26 -5.00 135.00 139.93 3dmk s PRO 424 Ca 0.70 0.23 -0.13 0.00 0.05 0.00 0.00 61.00 61.84 3dmk s PRO 424 Cb -0.31 -2.00 -0.05 0.00 0.05 0.00 0.00 34.50 32.19 3dmk s PRO 424 CO 0.27 -1.32 0.35 -1.21 0.05 0.00 0.00 177.00 175.13 3dmk s GLU 425 N -5.45 3.89 -0.28 4.56 2.02 -0.07 -4.81 118.70 118.55 3dmk s GLU 425 Ca 0.60 0.27 -0.07 0.00 0.02 0.00 0.00 54.97 55.80 3dmk s GLU 425 Cb -0.11 -3.25 0.00 0.00 0.10 0.00 0.00 34.13 30.87 3dmk s GLU 425 CO 0.50 0.63 0.07 0.42 0.02 0.00 0.00 175.26 176.89 3dmk s ILE 426 N -0.79 3.97 0.05 -1.63 1.01 -1.26 -0.74 121.20 121.81 3dmk s ILE 426 Ca 0.21 -0.60 0.03 0.00 0.00 0.00 0.00 60.65 60.29 3dmk s ILE 426 Cb -0.15 -3.00 -0.04 0.00 0.01 0.00 0.00 42.46 39.28 3dmk s ILE 426 CO 0.10 0.15 0.04 -0.94 0.00 0.00 0.00 174.94 174.29 3dmk s SER 427 N 1.52 5.30 -0.06 3.58 1.04 -0.36 -4.93 113.70 119.79 3dmk s SER 427 Ca 0.03 -0.04 -0.02 0.00 0.48 0.00 0.00 55.95 56.41 3dmk s SER 427 Cb -0.17 -1.38 -0.04 0.00 0.10 0.00 0.00 66.02 64.54 3dmk s SER 427 CO 0.02 0.21 0.04 0.26 0.98 0.00 0.00 173.24 174.75 3dmk s TRP 428 N -1.27 3.23 0.03 5.02 0.52 -1.26 0.02 118.94 125.23 3dmk s TRP 428 Ca 0.25 0.22 0.04 0.00 0.02 0.00 0.00 56.10 56.63 3dmk s TRP 428 Cb -0.12 -1.78 -0.02 0.00 -1.15 0.00 0.00 33.47 30.41 3dmk s TRP 428 CO 0.17 0.52 -0.11 -1.21 0.02 0.00 0.00 176.95 176.34 3dmk s GLU 429 N -1.19 0.78 -0.18 4.98 2.02 0.87 -3.50 118.70 122.47 3dmk s GLU 429 Ca 0.17 -0.67 0.00 0.00 0.02 0.00 0.00 54.97 54.49 3dmk s GLU 429 Cb -0.12 -0.73 0.04 0.00 0.10 0.00 0.00 34.13 33.43 3dmk s GLU 429 CO 0.06 0.18 -0.07 -1.17 0.02 0.00 0.00 175.26 174.28 3dmk s LEU 430 N -1.06 1.93 -1.49 1.80 0.20 0.85 -0.37 118.68 120.54 3dmk s LEU 430 Ca -0.01 -0.79 -0.14 0.00 0.69 0.00 0.00 54.13 53.88 3dmk s LEU 430 Cb -0.07 -1.05 0.11 0.00 -0.43 0.00 0.00 46.19 44.74 3dmk s LEU 430 CO 0.01 -0.18 0.71 0.47 -0.29 0.00 0.00 176.35 177.07 3dmk n ASP 431 N 4.79 -3.83 0.00 3.68 8.00 0.11 -0.74 116.55 128.56 3dmk n ASP 431 Ca -0.13 -0.70 0.00 0.00 0.71 0.00 0.00 54.79 54.67 3dmk n ASP 431 Cb 0.47 -3.12 0.00 0.00 -0.02 0.00 0.00 41.12 38.45 3dmk n ASP 431 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3dmk n GLY 432 N -1.36 2.28 3.72 0.44 0.00 -1.26 -4.97 105.19 104.04 3dmk n GLY 432 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 3dmk n GLY 432 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3dmk s LYS 433 N -0.52 4.30 -0.17 1.61 2.20 0.08 -5.06 119.74 122.19 3dmk s LYS 433 Ca 0.00 0.29 -0.29 0.00 -0.36 0.00 0.00 55.97 55.61 3dmk s LYS 433 Cb 0.00 -3.43 -0.00 0.00 -1.51 0.00 0.00 37.83 32.89 3dmk s LYS 433 CO 0.00 0.20 1.04 0.15 -0.36 0.00 0.00 175.35 176.38 3dmk s LYS 434 N 0.55 4.33 -0.04 4.03 1.02 -1.26 -0.11 119.74 128.26 3dmk s LYS 434 Ca 0.22 1.40 0.02 0.00 0.02 0.00 0.00 55.97 57.62 3dmk s LYS 434 Cb -0.14 -3.60 -0.03 0.00 -0.52 0.00 0.00 37.83 33.54 3dmk s LYS 434 CO 0.07 -0.50 -0.07 0.96 -0.92 0.00 0.00 175.35 174.89 3dmk s ILE 435 N 2.69 3.64 0.00 2.17 -5.25 -1.23 -4.97 121.20 118.25 3dmk s ILE 435 Ca 0.47 -0.61 0.00 0.00 -0.99 0.00 0.00 60.65 59.52 3dmk s ILE 435 Cb -0.17 -2.52 0.00 0.00 2.95 0.00 0.00 42.46 42.72 3dmk s ILE 435 CO 0.12 0.52 0.00 0.00 -1.79 0.00 0.00 174.94 173.79 3dmk n ALA 436 N 1.97 0.00 -0.99 2.27 0.00 -1.26 -4.69 120.51 117.81 3dmk n ALA 436 Ca -0.17 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 52.96 3dmk n ALA 436 Cb 0.53 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.95 3dmk n ALA 436 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3dmk n ASN 437 N 0.00 4.53 -4.67 0.00 3.02 -1.26 -4.63 115.26 112.24 3dmk n ASN 437 Ca 0.00 -2.49 -0.32 0.00 -0.03 0.00 0.00 54.58 51.74 3dmk n ASN 437 Cb 0.00 -1.19 -0.09 0.00 -0.61 0.00 0.00 39.78 37.89 3dmk n ASN 437 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 3dmk s ASN 438 N 3.73 5.06 1.53 6.41 0.02 -1.20 -4.94 114.94 125.54 3dmk s ASN 438 Ca 0.48 -0.03 0.00 0.00 -1.02 0.00 0.00 52.86 52.29 3dmk s ASN 438 Cb 0.12 -1.30 0.00 0.00 0.02 0.00 0.00 41.25 40.09 3dmk s ASN 438 CO 0.00 0.28 0.00 -0.67 0.02 0.00 0.00 177.10 176.73 3dmk n ASP 439 N 1.39 0.00 -0.22 -1.22 -0.08 -1.26 -0.77 116.55 114.39 3dmk n ASP 439 Ca -0.15 0.00 0.09 0.00 -1.51 0.00 0.00 54.79 53.22 3dmk n ASP 439 Cb 0.53 0.00 0.16 0.00 2.34 0.00 0.00 41.12 44.15 3dmk n ASP 439 CO 0.00 0.00 0.00 -2.11 0.12 0.00 0.00 177.20 175.21 3dmk n ARG 440 N 7.13 1.41 -3.03 -0.67 1.85 -1.26 -4.95 116.66 117.15 3dmk n ARG 440 Ca 0.00 -2.74 -0.40 0.00 -1.00 0.00 0.00 57.85 53.71 3dmk n ARG 440 Cb 0.00 -1.54 -0.05 0.00 -1.05 0.00 0.00 32.46 29.82 3dmk n ARG 440 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 3dmk s TYR 441 N -2.95 3.51 -0.10 2.89 2.02 0.05 -1.21 117.35 121.56 3dmk s TYR 441 Ca 0.34 1.19 0.03 0.00 -0.37 0.00 0.00 57.07 58.26 3dmk s TYR 441 Cb 0.30 -2.85 -0.01 0.00 -0.40 0.00 0.00 41.96 39.00 3dmk s TYR 441 CO 0.01 -0.03 -0.19 -0.65 -1.57 0.00 0.00 175.55 173.13 3dmk s GLN 442 N 1.28 3.01 -0.10 -0.62 -0.21 0.78 -3.28 119.66 120.53 3dmk s GLN 442 Ca 0.36 -0.79 0.02 0.00 0.02 0.00 0.00 55.36 54.97 3dmk s GLN 442 Cb -0.17 -2.41 0.02 0.00 1.00 0.00 0.00 33.01 31.45 3dmk s GLN 442 CO 0.15 0.29 -0.13 0.08 -2.12 0.00 0.00 175.29 173.56 3dmk s VAL 443 N 0.12 1.33 0.30 1.09 1.01 -1.26 -0.42 120.40 122.57 3dmk s VAL 443 Ca -0.09 -0.55 0.06 0.00 0.00 0.00 0.00 61.98 61.40 3dmk s VAL 443 Cb -0.15 -1.23 -0.06 0.00 0.00 0.00 0.00 36.38 34.93 3dmk s VAL 443 CO 0.06 0.41 -0.02 -0.83 0.00 0.00 0.00 175.10 174.72 3dmk s GLY 444 N 1.00 1.93 -0.30 4.51 0.00 0.11 -4.89 107.32 109.67 3dmk s GLY 444 Ca -0.07 -1.97 -0.10 0.00 0.00 0.00 0.00 44.72 42.58 3dmk s GLY 444 CO -0.01 -1.84 0.81 1.62 0.00 0.00 0.00 173.10 173.68 3dmk s GLN 445 N -3.78 0.42 0.44 2.90 0.74 -1.26 -1.19 119.66 117.94 3dmk s GLN 445 Ca 0.32 0.93 0.03 0.00 0.05 0.00 0.00 55.36 56.69 3dmk s GLN 445 Cb 0.06 0.55 -0.03 0.00 1.10 0.00 0.00 33.01 34.68 3dmk s GLN 445 CO 0.13 -0.28 0.05 1.52 -0.55 0.00 0.00 175.29 176.17 3dmk s TYR 446 N 2.76 1.92 -0.09 1.67 1.13 -0.47 -4.99 117.35 119.28 3dmk s TYR 446 Ca 0.03 -1.04 0.04 0.00 -1.41 0.00 0.00 57.07 54.69 3dmk s TYR 446 Cb -0.11 -1.43 -0.00 0.00 -1.10 0.00 0.00 41.96 39.32 3dmk s TYR 446 CO -0.18 0.04 -0.23 0.08 -2.51 0.00 0.00 175.55 172.75 3dmk s VAL 447 N -3.02 2.14 0.70 -3.49 1.01 -1.26 -0.79 120.40 115.67 3dmk s VAL 447 Ca 0.19 -1.00 -0.11 0.00 0.00 0.00 0.00 61.98 61.06 3dmk s VAL 447 Cb 0.04 -1.81 0.01 0.00 0.00 0.00 0.00 36.38 34.61 3dmk s VAL 447 CO 0.10 0.56 1.06 0.42 0.00 0.00 0.00 175.10 177.24 3dmk s THR 448 N 0.25 4.01 0.43 3.92 -4.23 0.53 -4.93 115.64 115.63 3dmk s THR 448 Ca -0.16 0.65 0.18 0.00 -1.18 0.00 0.00 61.69 61.19 3dmk s THR 448 Cb -0.17 -3.44 0.38 0.00 1.34 0.00 0.00 72.50 70.61 3dmk s THR 448 CO 0.08 -0.85 1.89 0.58 -0.54 0.00 0.00 174.62 175.77 3dmk h VAL 449 N -0.70 0.72 0.00 2.29 2.07 -2.00 -0.04 116.25 118.58 3dmk h VAL 449 Ca -0.44 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 66.95 3dmk h VAL 449 Cb 1.21 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 3dmk h VAL 449 CO 0.58 0.07 0.00 0.78 0.02 0.00 0.00 177.57 179.02 3dmk h ASN 450 N 0.37 0.00 0.00 0.57 4.21 -2.06 -3.47 115.58 115.21 3dmk h ASN 450 Ca 0.42 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.93 3dmk h ASN 450 Cb 1.07 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.27 3dmk h ASN 450 CO -0.14 0.00 0.00 0.61 -1.29 0.00 0.00 177.43 176.61 3dmk n GLY 451 N 0.95 1.19 3.86 2.83 0.00 -0.03 -5.11 105.19 108.89 3dmk n GLY 451 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 3dmk n GLY 451 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3dmk s ASP 452 N -2.00 6.13 -0.20 1.61 1.11 -1.26 -4.60 116.67 117.46 3dmk s ASP 452 Ca 0.00 0.28 -0.20 0.00 0.18 0.00 0.00 52.55 52.80 3dmk s ASP 452 Cb 0.00 -1.87 -0.03 0.00 1.07 0.00 0.00 42.92 42.09 3dmk s ASP 452 CO 0.00 0.27 0.62 -0.69 1.18 0.00 0.00 175.17 176.54 3dmk s VAL 453 N -1.27 5.03 -0.42 -1.27 1.01 0.94 -0.35 120.40 124.07 3dmk s VAL 453 Ca 0.25 1.15 -0.11 0.00 0.00 0.00 0.00 61.98 63.28 3dmk s VAL 453 Cb -0.12 -3.93 0.07 0.00 0.00 0.00 0.00 36.38 32.39 3dmk s VAL 453 CO 0.17 0.12 0.28 -0.69 0.00 0.00 0.00 175.10 174.97 3dmk s VAL 454 N 1.89 4.51 -0.16 2.92 1.01 0.03 -0.45 120.40 130.15 3dmk s VAL 454 Ca 0.28 -1.22 -0.03 0.00 0.00 0.00 0.00 61.98 61.01 3dmk s VAL 454 Cb -0.16 -3.70 -0.02 0.00 0.00 0.00 0.00 36.38 32.51 3dmk s VAL 454 CO 0.10 -0.47 -0.06 -0.55 0.00 0.00 0.00 175.10 174.13 3dmk s SER 455 N 2.10 4.56 0.02 3.32 0.15 -0.35 -1.36 113.70 122.14 3dmk s SER 455 Ca 0.03 -0.21 0.03 0.00 0.70 0.00 0.00 55.95 56.50 3dmk s SER 455 Cb -0.22 -1.74 -0.04 0.00 -1.71 0.00 0.00 66.02 62.31 3dmk s SER 455 CO 0.04 0.14 -0.02 -0.31 1.20 0.00 0.00 173.24 174.29 3dmk s TYR 456 N 0.53 3.00 -0.31 3.44 2.02 -0.33 -0.92 117.35 124.78 3dmk s TYR 456 Ca -0.04 0.02 0.03 0.00 -0.37 0.00 0.00 57.07 56.71 3dmk s TYR 456 Cb -0.15 -1.62 0.09 0.00 -0.40 0.00 0.00 41.96 39.88 3dmk s TYR 456 CO 0.03 0.44 0.01 -1.17 -1.57 0.00 0.00 175.55 173.30 3dmk s LEU 457 N -1.70 3.85 -0.25 -1.29 2.96 0.76 -0.72 118.68 122.29 3dmk s LEU 457 Ca 0.20 -1.81 -0.11 0.00 -0.22 0.00 0.00 54.13 52.19 3dmk s LEU 457 Cb -0.11 -1.44 -0.05 0.00 0.50 0.00 0.00 46.19 45.09 3dmk s LEU 457 CO 0.11 -0.33 0.20 0.20 -1.32 0.00 0.00 176.35 175.21 3dmk s ASN 458 N 1.11 6.12 -0.24 3.68 0.01 0.44 -1.03 114.94 125.03 3dmk s ASN 458 Ca 0.05 0.12 -0.07 0.00 -0.71 0.00 0.00 52.86 52.25 3dmk s ASN 458 Cb -0.19 -2.12 -0.02 0.00 0.41 0.00 0.00 41.25 39.32 3dmk s ASN 458 CO -0.10 0.01 0.05 -0.51 -1.51 0.00 0.00 177.10 175.04 3dmk s ILE 459 N 1.31 4.12 0.14 0.60 2.07 0.25 -0.15 121.20 129.54 3dmk s ILE 459 Ca 0.09 -0.24 -0.18 0.00 -1.41 0.00 0.00 60.65 58.90 3dmk s ILE 459 Cb -0.14 -2.92 0.00 0.00 0.13 0.00 0.00 42.46 39.53 3dmk s ILE 459 CO 0.07 0.36 1.71 0.74 -1.91 0.00 0.00 174.94 175.91 3dmk h THR 460 N 5.58 0.81 -1.51 4.00 2.02 -1.44 -1.13 112.91 121.23 3dmk h THR 460 Ca -0.39 -0.03 -0.25 0.00 0.77 0.00 0.00 66.41 66.52 3dmk h THR 460 Cb 1.17 0.72 -0.25 0.00 -1.74 0.00 0.00 68.15 68.05 3dmk h THR 460 CO 0.58 0.02 -0.60 -0.55 0.37 0.00 0.00 175.52 175.34 3dmk s SER 461 N -5.25 -0.15 -0.12 4.18 0.15 -1.26 -3.78 113.70 107.47 3dmk s SER 461 Ca -0.13 -1.45 -0.39 0.00 0.70 0.00 0.00 55.95 54.67 3dmk s SER 461 Cb 0.11 1.18 -0.17 0.00 -1.71 0.00 0.00 66.02 65.43 3dmk s SER 461 CO 0.69 -0.19 1.49 0.55 1.20 0.00 0.00 173.24 176.98 3dmk n VAL 462 N 3.99 0.12 -3.59 4.45 3.14 -0.54 -4.58 118.33 121.31 3dmk n VAL 462 Ca 0.14 -0.02 -0.22 0.00 -2.96 0.00 0.00 64.34 61.27 3dmk n VAL 462 Cb 0.51 -0.84 -0.01 0.00 -1.06 0.00 0.00 33.84 32.44 3dmk n VAL 462 CO 0.00 0.00 0.00 -1.00 -6.46 0.00 0.00 176.83 169.37 3dmk s HIS 463 N 1.83 3.43 0.11 1.45 3.76 -1.26 -0.94 115.29 123.67 3dmk s HIS 463 Ca 0.93 0.15 -0.01 0.00 -0.15 0.00 0.00 55.06 55.97 3dmk s HIS 463 Cb -1.09 -1.81 0.24 0.00 1.11 0.00 0.00 32.58 31.03 3dmk s HIS 463 CO 0.59 0.20 0.60 0.00 -0.85 0.00 0.00 174.74 175.28 3dmk n ALA 464 N -1.65 0.15 -2.23 -1.40 0.00 -1.26 -1.22 120.51 112.90 3dmk n ALA 464 Ca -0.06 0.42 -0.09 0.00 0.00 0.00 0.00 53.44 53.71 3dmk n ALA 464 Cb 0.57 -0.28 0.06 0.00 0.00 0.00 0.00 19.45 19.80 3dmk n ALA 464 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3dmk n ASN 465 N -4.48 3.01 0.18 0.00 0.23 -1.26 -4.12 115.26 108.82 3dmk n ASN 465 Ca 0.08 -3.10 0.08 0.00 -0.53 0.00 0.00 54.58 51.11 3dmk n ASN 465 Cb 0.25 -0.41 0.10 0.00 -2.08 0.00 0.00 39.78 37.65 3dmk n ASN 465 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 3dmk h ASP 466 N 1.97 0.00 -4.12 0.53 3.32 -1.54 -3.48 116.42 113.10 3dmk h ASP 466 Ca 0.10 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.60 3dmk h ASP 466 Cb 1.41 0.00 0.15 0.00 0.22 0.00 0.00 39.33 41.11 3dmk h ASP 466 CO 0.40 0.20 0.49 -0.83 -1.72 0.00 0.00 179.24 177.78 3dmk s GLY 467 N -4.33 2.75 0.00 2.75 0.00 -1.26 -4.93 107.32 102.31 3dmk s GLY 467 Ca 0.05 1.12 0.00 0.00 0.00 0.00 0.00 44.72 45.90 3dmk s GLY 467 CO 0.71 1.54 0.00 0.61 0.00 0.00 0.00 173.10 175.96 3dmk n GLY 468 N 0.75 -0.58 3.32 0.20 0.00 0.66 -4.50 105.19 105.02 3dmk n GLY 468 Ca 0.15 -0.58 -0.42 0.00 0.00 0.00 0.00 46.02 45.17 3dmk n GLY 468 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3dmk s LEU 469 N 0.00 5.26 0.09 0.99 2.96 -1.26 -1.02 118.68 125.70 3dmk s LEU 469 Ca 0.00 -1.40 -0.16 0.00 -0.22 0.00 0.00 54.13 52.35 3dmk s LEU 469 Cb 0.00 -2.05 -0.07 0.00 0.50 0.00 0.00 46.19 44.57 3dmk s LEU 469 CO 0.00 -0.56 0.52 -0.31 -1.32 0.00 0.00 176.35 174.68 3dmk s TYR 470 N 1.50 3.70 -0.05 5.38 1.51 -0.09 -0.71 117.35 128.59 3dmk s TYR 470 Ca 0.03 1.11 -0.07 0.00 -1.01 0.00 0.00 57.07 57.13 3dmk s TYR 470 Cb -0.23 -2.39 0.01 0.00 -0.11 0.00 0.00 41.96 39.25 3dmk s TYR 470 CO 0.04 0.53 0.17 -1.59 -1.11 0.00 0.00 175.55 173.59 3dmk s LYS 471 N -1.51 0.29 -0.07 -0.62 -2.85 0.50 -0.08 119.74 115.40 3dmk s LYS 471 Ca 0.32 0.06 -0.05 0.00 -1.00 0.00 0.00 55.97 55.30 3dmk s LYS 471 Cb -0.17 0.13 -0.04 0.00 -2.06 0.00 0.00 37.83 35.69 3dmk s LYS 471 CO 0.18 -0.05 0.17 0.00 0.10 0.00 0.00 175.35 175.74 3dmk s ILE 473 N -1.15 2.54 -0.81 0.00 1.01 0.10 -0.90 121.20 121.99 3dmk s ILE 473 Ca 0.20 -1.62 -0.22 0.00 0.00 0.00 0.00 60.65 59.02 3dmk s ILE 473 Cb -0.12 -2.52 0.08 0.00 0.01 0.00 0.00 42.46 39.91 3dmk s ILE 473 CO 0.10 -0.13 1.11 0.00 0.00 0.00 0.00 174.94 176.02 3dmk s ALA 474 N 1.14 3.11 -0.19 9.38 0.00 0.30 -1.22 121.76 134.30 3dmk s ALA 474 Ca -0.05 -2.17 -0.08 0.00 0.00 0.00 0.00 51.96 49.65 3dmk s ALA 474 Cb -0.20 -4.05 -0.04 0.00 0.00 0.00 0.00 23.12 18.83 3dmk s ALA 474 CO -0.04 -3.00 0.08 0.21 0.00 0.00 0.00 175.76 173.01 3dmk s LYS 475 N 3.86 4.02 0.13 0.00 2.36 0.08 -0.90 119.74 129.30 3dmk s LYS 475 Ca 0.30 -0.30 0.08 0.00 -2.55 0.00 0.00 55.97 53.50 3dmk s LYS 475 Cb -0.10 -3.27 -0.04 0.00 -1.05 0.00 0.00 37.83 33.37 3dmk s LYS 475 CO 0.01 0.30 -0.19 0.45 1.55 0.00 0.00 175.35 177.47 3dmk s SER 476 N 0.32 2.54 0.00 1.43 0.15 0.25 -0.89 113.70 117.50 3dmk s SER 476 Ca 0.05 -0.78 0.08 0.00 0.70 0.00 0.00 55.95 56.01 3dmk s SER 476 Cb -0.12 -0.14 0.51 0.00 -1.71 0.00 0.00 66.02 64.56 3dmk s SER 476 CO -0.00 -0.00 0.98 2.29 1.20 0.00 0.00 173.24 177.70 3dmk n LYS 477 N 0.68 0.54 -0.23 5.44 2.85 -1.26 -1.22 118.16 124.96 3dmk n LYS 477 Ca -0.16 0.00 0.06 0.00 -1.05 0.00 0.00 58.31 57.16 3dmk n LYS 477 Cb 0.55 -1.25 0.17 0.00 -0.65 0.00 0.00 35.03 33.86 3dmk n LYS 477 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 177.40 178.90 3dmk n VAL 478 N -0.75 1.34 0.00 0.58 3.14 -1.26 -5.09 118.33 116.29 3dmk n VAL 478 Ca 0.06 -1.25 0.00 0.00 -2.96 0.00 0.00 64.34 60.20 3dmk n VAL 478 Cb 0.03 0.30 0.00 0.00 -1.06 0.00 0.00 33.84 33.10 3dmk n VAL 478 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3dmk n GLY 479 N 0.13 2.23 3.28 7.55 0.00 -0.36 -4.34 105.19 113.68 3dmk n GLY 479 Ca 0.13 -1.95 -0.17 0.00 0.00 0.00 0.00 46.02 44.03 3dmk n GLY 479 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dmk s VAL 480 N -1.62 1.42 -0.26 1.61 0.11 -1.26 -0.58 120.40 119.82 3dmk s VAL 480 Ca 0.00 -1.98 -0.14 0.00 -2.93 0.00 0.00 61.98 56.93 3dmk s VAL 480 Cb 0.00 -1.80 0.08 0.00 -1.53 0.00 0.00 36.38 33.13 3dmk s VAL 480 CO 0.00 -0.57 0.63 0.00 -3.33 0.00 0.00 175.10 171.83 3dmk s ALA 481 N -2.76 -1.71 0.23 1.54 0.00 -0.08 -4.84 121.76 114.15 3dmk s ALA 481 Ca 0.16 2.23 0.10 0.00 0.00 0.00 0.00 51.96 54.45 3dmk s ALA 481 Cb -0.01 -1.35 -0.05 0.00 0.00 0.00 0.00 23.12 21.71 3dmk s ALA 481 CO 0.04 -0.40 -0.19 -1.83 0.00 0.00 0.00 175.76 173.38 3dmk s GLU 482 N 1.68 1.51 -0.04 0.00 -1.05 -1.26 -0.54 118.70 119.00 3dmk s GLU 482 Ca -0.10 -1.64 -0.02 0.00 -0.15 0.00 0.00 54.97 53.06 3dmk s GLU 482 Cb -0.06 -1.53 0.03 0.00 -0.44 0.00 0.00 34.13 32.13 3dmk s GLU 482 CO -0.18 0.29 0.05 -1.58 0.95 0.00 0.00 175.26 174.78 3dmk s HIS 483 N -2.49 0.16 0.21 4.83 2.46 -0.08 -4.97 115.29 115.41 3dmk s HIS 483 Ca 0.25 0.18 0.05 0.00 0.47 0.00 0.00 55.06 56.01 3dmk s HIS 483 Cb -0.04 -0.53 -0.03 0.00 -0.13 0.00 0.00 32.58 31.85 3dmk s HIS 483 CO 0.11 -0.21 0.27 -1.12 -2.47 0.00 0.00 174.74 171.32 3dmk s SER 484 N 2.10 6.04 -0.09 9.88 0.01 -1.26 -0.96 113.70 129.41 3dmk s SER 484 Ca 0.04 -0.01 -0.30 0.00 1.31 0.00 0.00 55.95 57.00 3dmk s SER 484 Cb -0.12 -1.71 0.11 0.00 0.21 0.00 0.00 66.02 64.51 3dmk s SER 484 CO -0.03 -0.02 0.94 0.00 0.41 0.00 0.00 173.24 174.54 3dmk s ALA 485 N -1.93 -1.88 -0.19 1.44 0.00 0.88 -4.96 121.76 115.12 3dmk s ALA 485 Ca 0.33 1.33 -0.10 0.00 0.00 0.00 0.00 51.96 53.52 3dmk s ALA 485 Cb -0.09 -0.16 -0.05 0.00 0.00 0.00 0.00 23.12 22.82 3dmk s ALA 485 CO 0.27 -0.49 0.16 0.21 0.00 0.00 0.00 175.76 175.91 3dmk s LYS 486 N -2.04 4.13 -0.22 0.00 2.20 -1.26 -0.92 119.74 121.64 3dmk s LYS 486 Ca 0.01 -0.16 -0.01 0.00 -0.36 0.00 0.00 55.97 55.45 3dmk s LYS 486 Cb -0.01 -3.40 0.02 0.00 -1.51 0.00 0.00 37.83 32.93 3dmk s LYS 486 CO -0.03 0.34 -0.11 -1.17 -0.36 0.00 0.00 175.35 174.02 3dmk s LEU 487 N 0.24 2.75 -0.18 5.43 2.96 -0.19 -1.15 118.68 128.55 3dmk s LEU 487 Ca 0.10 -0.69 -0.06 0.00 -0.22 0.00 0.00 54.13 53.25 3dmk s LEU 487 Cb -0.11 -1.61 -0.04 0.00 0.50 0.00 0.00 46.19 44.93 3dmk s LEU 487 CO -0.00 -0.06 0.04 0.20 -1.32 0.00 0.00 176.35 175.20 3dmk s ASN 488 N 1.34 5.38 -0.08 3.68 -0.87 -0.11 -0.25 114.94 124.04 3dmk s ASN 488 Ca 0.03 0.01 0.04 0.00 -1.57 0.00 0.00 52.86 51.36 3dmk s ASN 488 Cb -0.15 -1.91 -0.02 0.00 -0.02 0.00 0.00 41.25 39.15 3dmk s ASN 488 CO -0.07 0.16 -0.19 -0.69 -2.57 0.00 0.00 177.10 173.74 3dmk s VAL 489 N 0.44 2.59 0.32 1.60 1.01 -1.26 -0.53 120.40 124.57 3dmk s VAL 489 Ca 0.01 -0.87 -0.29 0.00 0.00 0.00 0.00 61.98 60.84 3dmk s VAL 489 Cb -0.13 -2.00 -0.10 0.00 0.00 0.00 0.00 36.38 34.14 3dmk s VAL 489 CO 0.01 0.56 1.38 -0.31 0.00 0.00 0.00 175.10 176.75 3dmk s TYR 490 N -0.16 2.94 0.00 5.22 1.51 0.04 -0.60 117.35 126.30 3dmk s TYR 490 Ca -0.02 1.26 0.00 0.00 -1.01 0.00 0.00 57.07 57.30 3dmk s TYR 490 Cb -0.14 -3.79 0.00 0.00 -0.11 0.00 0.00 41.96 37.92 3dmk s TYR 490 CO 0.04 -2.31 0.00 0.41 -1.11 0.00 0.00 175.55 172.57 3dmk n GLY 491 N 1.11 1.75 3.80 0.71 0.00 -1.26 -4.46 105.19 106.82 3dmk n GLY 491 Ca 0.02 -1.25 -0.32 0.00 0.00 0.00 0.00 46.02 44.47 3dmk n GLY 491 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dmk s LEU 492 N 0.00 3.34 0.34 0.99 1.02 -1.26 -4.00 118.68 119.12 3dmk s LEU 492 Ca 0.00 1.79 -0.29 0.00 0.02 0.00 0.00 54.13 55.66 3dmk s LEU 492 Cb 0.00 -4.52 -0.12 0.00 0.02 0.00 0.00 46.19 41.57 3dmk s LEU 492 CO 0.00 -1.40 1.49 -2.65 0.02 0.00 0.00 176.35 173.81 3dmk n PRO 493 N -2.52 2.57 -3.53 1.29 -0.02 -1.26 -4.34 135.00 127.19 3dmk n PRO 493 Ca 0.09 0.91 -0.06 0.00 -2.02 0.00 0.00 63.50 62.41 3dmk n PRO 493 Cb 0.53 -2.63 -0.07 0.00 -0.02 0.00 0.00 33.50 31.31 3dmk n PRO 493 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3dmk s TYR 494 N -0.74 -0.97 -0.14 6.00 6.14 -0.23 -4.47 117.35 122.94 3dmk s TYR 494 Ca 0.57 1.52 -0.08 0.00 0.64 0.00 0.00 57.07 59.71 3dmk s TYR 494 Cb -0.50 0.35 -0.04 0.00 0.42 0.00 0.00 41.96 42.18 3dmk s TYR 494 CO 0.59 -0.61 0.16 0.42 0.64 0.00 0.00 175.55 176.75 3dmk s ILE 495 N 2.67 5.45 1.05 3.14 1.01 -1.26 0.06 121.20 133.32 3dmk s ILE 495 Ca 0.03 0.25 -0.17 0.00 0.00 0.00 0.00 60.65 60.76 3dmk s ILE 495 Cb -0.13 -3.44 0.23 0.00 0.01 0.00 0.00 42.46 39.12 3dmk s ILE 495 CO -0.15 0.56 1.23 -0.13 0.00 0.00 0.00 174.94 176.45 3dmk s ARG 496 N -0.63 -0.00 0.46 2.79 0.52 -0.35 -4.88 118.95 116.86 3dmk s ARG 496 Ca 0.14 -0.23 -0.20 0.00 -0.52 0.00 0.00 55.73 54.91 3dmk s ARG 496 Cb -0.12 -1.75 -0.09 0.00 0.52 0.00 0.00 34.95 33.50 3dmk s ARG 496 CO 0.03 -2.87 1.00 -0.65 0.02 0.00 0.00 175.30 172.82 3dmk s GLN 497 N -5.67 3.99 -0.19 3.54 -1.52 -1.26 -4.81 119.66 113.73 3dmk s GLN 497 Ca 0.72 1.24 -0.01 0.00 -1.95 0.00 0.00 55.36 55.35 3dmk s GLN 497 Cb -0.07 -2.13 0.05 0.00 -0.22 0.00 0.00 33.01 30.64 3dmk s GLN 497 CO 0.54 -0.25 -0.01 -1.64 -0.25 0.00 0.00 175.29 173.68 3dmk s MET 498 N -3.25 1.10 0.49 2.91 -1.94 -1.26 -5.02 119.30 112.32 3dmk s MET 498 Ca 0.65 -0.59 -0.22 0.00 -1.71 0.00 0.00 55.69 53.82 3dmk s MET 498 Cb -0.13 -2.18 -0.07 0.00 2.01 0.00 0.00 34.83 34.47 3dmk s MET 498 CO 0.17 -0.57 1.18 -1.21 -0.01 0.00 0.00 175.02 174.59 3dmk s GLU 499 N 1.68 3.59 0.03 2.03 2.02 -1.26 -4.58 118.70 122.21 3dmk s GLU 499 Ca -0.02 1.80 -0.37 0.00 0.02 0.00 0.00 54.97 56.40 3dmk s GLU 499 Cb -0.17 -2.30 -0.16 0.00 0.10 0.00 0.00 34.13 31.59 3dmk s GLU 499 CO -0.07 -0.70 1.41 0.36 0.02 0.00 0.00 175.26 176.28 3dmk n LYS 500 N -0.73 1.18 -3.05 1.61 2.85 -1.26 -4.73 118.16 114.02 3dmk n LYS 500 Ca 0.09 0.43 -0.43 0.00 -1.05 0.00 0.00 58.31 57.34 3dmk n LYS 500 Cb 0.48 -2.08 -0.06 0.00 -0.65 0.00 0.00 35.03 32.72 3dmk n LYS 500 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 3dmk s LYS 501 N 0.99 3.28 -0.49 -1.58 2.47 -0.14 -4.95 119.74 119.31 3dmk s LYS 501 Ca 0.87 -0.41 -0.20 0.00 -1.56 0.00 0.00 55.97 54.66 3dmk s LYS 501 Cb -0.96 -3.99 0.04 0.00 -1.46 0.00 0.00 37.83 31.46 3dmk s LYS 501 CO 0.50 -1.14 0.65 0.00 0.16 0.00 0.00 175.35 175.51 3dmk s ALA 502 N 3.03 3.35 0.14 3.13 0.00 -1.26 -0.85 121.76 129.31 3dmk s ALA 502 Ca 0.23 -1.53 0.10 0.00 0.00 0.00 0.00 51.96 50.77 3dmk s ALA 502 Cb -0.15 -3.35 -0.04 0.00 0.00 0.00 0.00 23.12 19.58 3dmk s ALA 502 CO 0.18 -1.96 -0.20 0.42 0.00 0.00 0.00 175.76 174.20 3dmk s ILE 503 N 2.78 2.65 0.15 0.00 -1.09 0.17 -5.00 121.20 120.86 3dmk s ILE 503 Ca 0.18 -1.68 0.06 0.00 -2.23 0.00 0.00 60.65 56.99 3dmk s ILE 503 Cb -0.17 -2.23 -0.04 0.00 -1.58 0.00 0.00 42.46 38.44 3dmk s ILE 503 CO 0.15 0.03 0.03 0.68 -1.23 0.00 0.00 174.94 174.60 3dmk s VAL 504 N -1.28 3.94 -0.13 2.92 -7.23 -1.26 -1.79 120.40 115.57 3dmk s VAL 504 Ca 0.18 -1.26 -0.37 0.00 -1.81 0.00 0.00 61.98 58.72 3dmk s VAL 504 Cb -0.10 -2.97 -0.18 0.00 0.56 0.00 0.00 36.38 33.70 3dmk s VAL 504 CO 0.10 -0.06 1.08 0.00 -0.31 0.00 0.00 175.10 175.91 3dmk n ALA 505 N -0.02 -2.70 0.00 1.32 0.00 -1.21 -1.42 120.51 116.48 3dmk n ALA 505 Ca -0.10 0.51 0.00 0.00 0.00 0.00 0.00 53.44 53.85 3dmk n ALA 505 Cb 0.54 -1.60 0.00 0.00 0.00 0.00 0.00 19.45 18.39 3dmk n ALA 505 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dmk n GLY 506 N 1.97 2.99 3.78 0.00 0.00 0.21 -4.87 105.19 109.27 3dmk n GLY 506 Ca 0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 3dmk n GLY 506 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dmk s GLU 507 N -0.00 2.46 -0.36 1.61 0.41 -0.51 -4.17 118.70 118.14 3dmk s GLU 507 Ca 0.00 1.19 -0.16 0.00 -0.41 0.00 0.00 54.97 55.59 3dmk s GLU 507 Cb 0.00 -1.92 -0.00 0.00 -1.78 0.00 0.00 34.13 30.43 3dmk s GLU 507 CO 0.00 -1.49 0.39 0.99 -0.49 0.00 0.00 175.26 174.66 3dmk s THR 508 N -2.80 5.14 -0.27 3.63 2.01 -1.15 -1.97 115.64 120.24 3dmk s THR 508 Ca 0.62 -0.04 -0.26 0.00 0.31 0.00 0.00 61.69 62.32 3dmk s THR 508 Cb -0.17 -3.89 0.00 0.00 0.01 0.00 0.00 72.50 68.45 3dmk s THR 508 CO 0.53 -0.18 0.90 -0.22 -0.69 0.00 0.00 174.62 174.95 3dmk s LEU 509 N 2.07 4.06 -0.17 4.42 0.20 0.31 -4.93 118.68 124.64 3dmk s LEU 509 Ca 0.12 1.02 0.00 0.00 0.69 0.00 0.00 54.13 55.96 3dmk s LEU 509 Cb -0.17 -3.28 0.01 0.00 -0.43 0.00 0.00 46.19 42.32 3dmk s LEU 509 CO 0.12 -0.62 -0.17 -0.63 -0.29 0.00 0.00 176.35 174.76 3dmk s ILE 510 N 3.06 2.40 -0.02 6.68 1.01 -1.26 -0.11 121.20 132.95 3dmk s ILE 510 Ca 0.38 -0.84 -0.02 0.00 0.00 0.00 0.00 60.65 60.16 3dmk s ILE 510 Cb -0.14 -2.01 0.01 0.00 0.01 0.00 0.00 42.46 40.32 3dmk s ILE 510 CO 0.09 0.52 0.06 0.54 0.00 0.00 0.00 174.94 176.15 3dmk s VAL 511 N 1.10 -0.01 -0.16 2.92 0.11 -0.01 -5.02 120.40 119.33 3dmk s VAL 511 Ca 0.00 0.02 0.01 0.00 -2.93 0.00 0.00 61.98 59.08 3dmk s VAL 511 Cb -0.14 -0.10 0.00 0.00 -1.53 0.00 0.00 36.38 34.62 3dmk s VAL 511 CO -0.06 0.01 -0.17 -0.89 -3.33 0.00 0.00 175.10 170.66 3dmk s THR 512 N 0.16 2.47 -0.52 5.04 2.01 -1.26 0.23 115.64 123.77 3dmk s THR 512 Ca -0.01 -0.83 -0.27 0.00 0.31 0.00 0.00 61.69 60.89 3dmk s THR 512 Cb -0.02 -2.04 -0.02 0.00 0.01 0.00 0.00 72.50 70.43 3dmk s THR 512 CO -0.00 0.52 1.90 0.00 -0.69 0.00 0.00 174.62 176.34 3dmk s PRO 514 N 6.78 2.96 0.51 0.00 0.04 -1.26 -4.94 135.00 139.09 3dmk s PRO 514 Ca 0.74 -0.61 -0.06 0.00 0.04 0.00 0.00 61.00 61.11 3dmk s PRO 514 Cb -0.16 -5.17 -0.03 0.00 0.04 0.00 0.00 34.50 29.19 3dmk s PRO 514 CO 0.25 -2.92 0.82 0.14 0.04 0.00 0.00 177.00 175.33 3dmk s VAL 515 N 8.09 4.59 0.01 -0.36 -7.23 -1.26 -1.21 120.40 123.03 3dmk s VAL 515 Ca 0.61 0.17 -0.09 0.00 -1.81 0.00 0.00 61.98 60.86 3dmk s VAL 515 Cb -0.04 -3.76 0.01 0.00 0.56 0.00 0.00 36.38 33.14 3dmk s VAL 515 CO -0.04 -0.77 0.18 0.00 -0.31 0.00 0.00 175.10 174.16 3dmk s ALA 516 N -2.82 -0.42 0.00 1.32 0.00 0.11 -4.54 121.76 115.41 3dmk s ALA 516 Ca 0.49 -0.08 0.00 0.00 0.00 0.00 0.00 51.96 52.37 3dmk s ALA 516 Cb -0.10 0.14 0.00 0.00 0.00 0.00 0.00 23.12 23.16 3dmk s ALA 516 CO 0.45 -0.25 0.00 0.41 0.00 0.00 0.00 175.76 176.37 3dmk n GLY 517 N 1.24 1.46 0.09 0.00 0.00 -1.25 -1.07 105.19 105.67 3dmk n GLY 517 Ca -0.22 -1.50 -0.08 0.00 0.00 0.00 0.00 46.02 44.23 3dmk n GLY 517 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3dmk n TYR 518 N 1.78 0.31 0.66 1.61 9.36 0.23 -4.16 117.16 126.96 3dmk n TYR 518 Ca 0.00 0.11 0.00 0.00 3.32 0.00 0.00 57.90 61.33 3dmk n TYR 518 Cb 0.00 -1.02 0.00 0.00 -0.63 0.00 0.00 39.34 37.69 3dmk n TYR 518 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3dmk n PRO 519 N -2.80 0.64 -1.71 2.98 -0.04 -1.26 -4.85 135.00 127.95 3dmk n PRO 519 Ca -0.26 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.77 3dmk n PRO 519 Cb 1.08 -1.31 -0.03 0.00 -0.04 0.00 0.00 33.50 33.20 3dmk n PRO 519 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 3dmk n ILE 520 N 0.15 0.05 -0.10 0.52 0.00 -1.26 -3.88 119.36 114.84 3dmk n ILE 520 Ca 0.00 -0.01 -0.20 0.00 0.00 0.00 0.00 62.75 62.54 3dmk n ILE 520 Cb 0.15 -1.89 -0.07 0.00 0.00 0.00 0.00 39.64 37.84 3dmk n ILE 520 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 3dmk n ASP 521 N 3.77 1.63 -3.76 9.51 2.03 -0.72 -4.89 116.55 124.11 3dmk n ASP 521 Ca 0.16 0.28 -0.25 0.00 0.52 0.00 0.00 54.79 55.50 3dmk n ASP 521 Cb 0.34 -0.66 -0.17 0.00 -0.72 0.00 0.00 41.12 39.90 3dmk n ASP 521 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 3dmk s SER 522 N -6.75 2.04 -0.39 1.67 1.04 0.18 -5.00 113.70 106.49 3dmk s SER 522 Ca -0.29 -0.34 -0.05 0.00 0.48 0.00 0.00 55.95 55.75 3dmk s SER 522 Cb 0.10 -0.49 0.09 0.00 0.10 0.00 0.00 66.02 65.81 3dmk s SER 522 CO 0.38 -0.23 0.19 -0.63 0.98 0.00 0.00 173.24 173.93 3dmk s ILE 523 N 1.94 3.61 -0.06 -1.02 1.01 -1.26 -0.99 121.20 124.42 3dmk s ILE 523 Ca 0.03 -1.68 0.05 0.00 0.00 0.00 0.00 60.65 59.05 3dmk s ILE 523 Cb -0.14 -3.30 -0.01 0.00 0.01 0.00 0.00 42.46 39.02 3dmk s ILE 523 CO -0.06 -0.52 -0.23 0.54 0.00 0.00 0.00 174.94 174.67 3dmk s VAL 524 N 1.27 2.24 -0.02 2.92 0.11 0.07 -4.49 120.40 122.52 3dmk s VAL 524 Ca 0.04 -1.00 -0.17 0.00 -2.93 0.00 0.00 61.98 57.92 3dmk s VAL 524 Cb -0.22 -1.83 -0.05 0.00 -1.53 0.00 0.00 36.38 32.74 3dmk s VAL 524 CO -0.01 0.57 0.48 0.26 -3.33 0.00 0.00 175.10 173.07 3dmk s TRP 525 N -0.18 3.67 0.01 1.54 0.52 -1.26 -0.48 118.94 122.77 3dmk s TRP 525 Ca -0.03 1.04 0.04 0.00 0.02 0.00 0.00 56.10 57.17 3dmk s TRP 525 Cb -0.14 -2.45 -0.01 0.00 -1.15 0.00 0.00 33.47 29.72 3dmk s TRP 525 CO 0.04 0.45 -0.12 -1.21 0.02 0.00 0.00 176.95 176.13 3dmk s GLU 526 N -0.45 0.86 -0.17 4.98 2.02 0.15 -1.05 118.70 125.03 3dmk s GLU 526 Ca 0.26 -0.55 0.01 0.00 0.02 0.00 0.00 54.97 54.71 3dmk s GLU 526 Cb -0.17 -0.83 0.01 0.00 0.10 0.00 0.00 34.13 33.24 3dmk s GLU 526 CO 0.14 0.22 -0.18 0.50 0.02 0.00 0.00 175.26 175.96 3dmk s ARG 527 N -0.69 3.07 -1.74 1.61 3.00 0.55 -0.91 118.95 123.84 3dmk s ARG 527 Ca 0.02 -0.80 -0.19 0.00 -1.00 0.00 0.00 55.73 53.76 3dmk s ARG 527 Cb -0.06 -2.60 0.17 0.00 0.00 0.00 0.00 34.95 32.46 3dmk s ARG 527 CO 0.00 -0.14 0.74 -0.25 0.00 0.00 0.00 175.30 175.65 3dmk n ASP 528 N 4.46 -2.91 0.00 -2.12 9.92 -1.26 -0.76 116.55 123.88 3dmk n ASP 528 Ca -0.20 -1.06 0.00 0.00 -0.53 0.00 0.00 54.79 52.99 3dmk n ASP 528 Cb 0.51 -2.51 0.00 0.00 -0.64 0.00 0.00 41.12 38.48 3dmk n ASP 528 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 3dmk n ASN 529 N -2.62 0.00 -4.82 -2.24 4.05 -1.26 -5.02 115.26 103.35 3dmk n ASN 529 Ca 0.07 0.00 -0.33 0.00 0.45 0.00 0.00 54.58 54.77 3dmk n ASN 529 Cb 0.49 0.00 -0.04 0.00 1.23 0.00 0.00 39.78 41.45 3dmk n ASN 529 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 177.26 174.08 3dmk s ARG 530 N -0.15 3.96 0.34 1.20 0.52 0.06 -5.00 118.95 119.88 3dmk s ARG 530 Ca 0.00 1.16 -0.29 0.00 -0.52 0.00 0.00 55.73 56.08 3dmk s ARG 530 Cb 0.00 -2.13 -0.11 0.00 0.52 0.00 0.00 34.95 33.23 3dmk s ARG 530 CO 0.00 -0.27 1.41 0.00 0.02 0.00 0.00 175.30 176.46 3dmk s ALA 531 N -2.24 3.56 0.10 2.13 0.00 -1.26 -0.33 121.76 123.72 3dmk s ALA 531 Ca 0.63 1.41 -0.22 0.00 0.00 0.00 0.00 51.96 53.78 3dmk s ALA 531 Cb -0.12 -3.55 -0.11 0.00 0.00 0.00 0.00 23.12 19.34 3dmk s ALA 531 CO 0.21 -0.84 1.74 1.25 0.00 0.00 0.00 175.76 178.13 3dmk h LEU 532 N 3.51 0.01 -8.38 0.00 5.85 -1.41 -3.38 115.31 111.51 3dmk h LEU 532 Ca -0.49 0.01 -0.41 0.00 0.84 0.00 0.00 57.88 57.82 3dmk h LEU 532 Cb 1.23 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 42.23 3dmk h LEU 532 CO 0.67 0.02 1.10 -2.16 -0.34 0.00 0.00 178.44 177.72 3dmk s PRO 533 N -6.19 2.59 -0.02 5.25 0.04 -1.26 -4.60 135.00 130.80 3dmk s PRO 533 Ca -0.13 0.24 0.03 0.00 0.04 0.00 0.00 61.00 61.18 3dmk s PRO 533 Cb 0.07 -4.67 0.05 0.00 0.04 0.00 0.00 34.50 29.99 3dmk s PRO 533 CO 0.67 -3.01 0.90 0.44 0.04 0.00 0.00 177.00 176.04 3dmk n ILE 534 N 7.49 0.44 -3.63 0.56 -6.64 -1.26 -5.08 119.36 111.24 3dmk n ILE 534 Ca 0.29 -0.51 -0.09 0.00 -1.77 0.00 0.00 62.75 60.66 3dmk n ILE 534 Cb 0.50 0.49 -0.02 0.00 -1.44 0.00 0.00 39.64 39.17 3dmk n ILE 534 CO 0.00 0.00 0.00 0.54 -1.77 0.00 0.00 176.55 175.32 3dmk s ASN 535 N -1.09 -0.40 0.63 7.28 4.22 -1.26 -5.05 114.94 119.27 3dmk s ASN 535 Ca 0.06 -0.27 0.36 0.00 -2.14 0.00 0.00 52.86 50.86 3dmk s ASN 535 Cb 0.05 0.62 2.04 0.00 1.28 0.00 0.00 41.25 45.24 3dmk s ASN 535 CO 0.01 -1.08 2.26 0.03 -2.04 0.00 0.00 177.10 176.27 3dmk h ARG 536 N 2.00 0.00 0.03 3.55 -0.00 -2.00 -1.13 114.38 116.82 3dmk h ARG 536 Ca -0.26 0.00 -0.22 0.00 -0.50 0.00 0.00 59.98 59.00 3dmk h ARG 536 Cb 1.27 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 31.24 3dmk h ARG 536 CO 0.30 0.00 -0.98 0.87 0.00 0.00 0.00 179.97 180.16 3dmk h LYS 537 N 0.00 0.25 -5.68 0.04 1.79 -1.96 -3.46 116.57 107.55 3dmk h LYS 537 Ca 0.01 -0.31 -0.58 0.00 -2.18 0.00 0.00 60.65 57.59 3dmk h LYS 537 Cb 0.13 0.10 -0.08 0.00 -1.58 0.00 0.00 32.23 30.80 3dmk h LYS 537 CO -0.00 1.05 -0.20 -0.65 -1.08 0.00 0.00 179.45 178.57 3dmk s GLN 538 N -3.07 4.30 0.03 3.15 -0.21 -0.43 -0.47 119.66 122.95 3dmk s GLN 538 Ca -0.04 0.34 0.05 0.00 0.02 0.00 0.00 55.36 55.74 3dmk s GLN 538 Cb 0.09 -3.42 -0.02 0.00 1.00 0.00 0.00 33.01 30.66 3dmk s GLN 538 CO 0.85 0.21 -0.14 0.15 -2.12 0.00 0.00 175.29 174.24 3dmk s LYS 539 N 0.50 0.96 -0.00 2.91 1.02 0.31 -4.71 119.74 120.73 3dmk s LYS 539 Ca 0.23 -0.70 -0.01 0.00 0.02 0.00 0.00 55.97 55.51 3dmk s LYS 539 Cb -0.15 -0.96 -0.00 0.00 -0.52 0.00 0.00 37.83 36.20 3dmk s LYS 539 CO 0.08 0.24 0.02 0.08 -0.92 0.00 0.00 175.35 174.86 3dmk s VAL 540 N -0.74 0.03 0.11 3.17 1.01 -1.26 -0.47 120.40 122.24 3dmk s VAL 540 Ca 0.02 -0.23 0.09 0.00 0.00 0.00 0.00 61.98 61.86 3dmk s VAL 540 Cb -0.07 -0.11 -0.04 0.00 0.00 0.00 0.00 36.38 36.16 3dmk s VAL 540 CO 0.01 -0.12 -0.22 -0.36 0.00 0.00 0.00 175.10 174.40 3dmk s PHE 541 N -0.36 1.90 -0.26 5.22 0.08 -0.55 -5.03 117.98 118.99 3dmk s PHE 541 Ca -0.04 -0.41 0.23 0.00 0.12 0.00 0.00 56.93 56.83 3dmk s PHE 541 Cb -0.03 -1.04 1.15 0.00 -0.57 0.00 0.00 43.02 42.53 3dmk s PHE 541 CO -0.00 0.23 1.70 -0.35 -0.10 0.00 0.00 175.22 176.70 3dmk n PRO 542 N 1.06 0.17 0.07 0.24 -0.04 -1.26 -0.82 135.00 134.42 3dmk n PRO 542 Ca -0.19 0.58 0.09 0.00 -0.04 0.00 0.00 63.50 63.94 3dmk n PRO 542 Cb 0.53 -1.95 0.40 0.00 -0.04 0.00 0.00 33.50 32.45 3dmk n PRO 542 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 3dmk n ASN 543 N -2.29 0.37 0.00 3.54 0.23 -1.26 -4.63 115.26 111.22 3dmk n ASN 543 Ca -0.00 0.59 0.00 0.00 -0.53 0.00 0.00 54.58 54.64 3dmk n ASN 543 Cb 0.10 -0.67 0.00 0.00 -2.08 0.00 0.00 39.78 37.13 3dmk n ASN 543 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3dmk n GLY 544 N -0.08 1.02 3.69 4.83 0.00 -0.00 -4.92 105.19 109.73 3dmk n GLY 544 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 3dmk n GLY 544 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3dmk s THR 545 N -2.00 4.77 0.09 2.61 -1.32 -1.23 -0.79 115.64 117.78 3dmk s THR 545 Ca 0.00 -0.05 0.03 0.00 -1.21 0.00 0.00 61.69 60.46 3dmk s THR 545 Cb 0.00 -3.10 -0.04 0.00 -1.51 0.00 0.00 72.50 67.85 3dmk s THR 545 CO 0.00 0.53 0.10 -0.22 -2.21 0.00 0.00 174.62 172.83 3dmk s LEU 546 N -0.25 3.86 -0.21 9.08 2.96 0.13 -1.48 118.68 132.78 3dmk s LEU 546 Ca 0.08 -0.00 -0.06 0.00 -0.22 0.00 0.00 54.13 53.93 3dmk s LEU 546 Cb -0.12 -2.52 0.10 0.00 0.50 0.00 0.00 46.19 44.15 3dmk s LEU 546 CO 0.02 0.15 0.41 -0.51 -1.32 0.00 0.00 176.35 175.09 3dmk s ILE 547 N -1.46 -0.64 -0.18 6.68 2.07 0.38 -0.83 121.20 127.22 3dmk s ILE 547 Ca 0.30 0.11 -0.08 0.00 -1.41 0.00 0.00 60.65 59.57 3dmk s ILE 547 Cb -0.12 -0.70 -0.04 0.00 0.13 0.00 0.00 42.46 41.73 3dmk s ILE 547 CO 0.23 0.02 0.09 -0.63 -1.91 0.00 0.00 174.94 172.74 3dmk s ILE 548 N 2.59 5.09 -0.01 2.00 1.01 0.84 -0.53 121.20 132.19 3dmk s ILE 548 Ca 0.02 0.07 -0.00 0.00 0.00 0.00 0.00 60.65 60.74 3dmk s ILE 548 Cb -0.13 -3.29 -0.00 0.00 0.01 0.00 0.00 42.46 39.05 3dmk s ILE 548 CO -0.13 0.48 0.06 -0.33 0.00 0.00 0.00 174.94 175.01 3dmk h GLU 549 N 6.41 -0.01 -4.25 2.79 3.07 -1.06 0.89 114.58 122.42 3dmk h GLU 549 Ca -0.41 0.00 -0.72 0.00 -0.50 0.00 0.00 59.36 57.73 3dmk h GLU 549 Cb 1.17 0.00 -0.30 0.00 -0.84 0.00 0.00 28.75 28.78 3dmk h GLU 549 CO 0.71 -0.01 -0.39 1.21 -1.40 0.00 0.00 179.01 179.13 3dmk s ASN 550 N -3.31 5.67 0.15 1.42 3.84 -1.26 -2.94 114.94 118.51 3dmk s ASN 550 Ca -0.00 -2.02 -0.30 0.00 0.21 0.00 0.00 52.86 50.74 3dmk s ASN 550 Cb 0.00 -1.99 -0.08 0.00 -0.55 0.00 0.00 41.25 38.63 3dmk s ASN 550 CO 0.00 -0.65 1.25 -0.69 -2.79 0.00 0.00 177.10 174.22 3dmk s VAL 551 N 1.19 3.55 -0.03 -5.21 1.01 -0.83 -4.73 120.40 115.35 3dmk s VAL 551 Ca 0.07 1.22 -0.06 0.00 0.00 0.00 0.00 61.98 63.22 3dmk s VAL 551 Cb -0.25 -3.78 0.01 0.00 0.00 0.00 0.00 36.38 32.36 3dmk s VAL 551 CO -0.02 0.16 0.13 -1.83 0.00 0.00 0.00 175.10 173.54 3dmk s GLU 552 N 0.27 0.30 0.00 2.72 -1.05 -1.26 0.68 118.70 120.36 3dmk s GLU 552 Ca 0.57 -0.09 0.00 0.00 -0.15 0.00 0.00 54.97 55.30 3dmk s GLU 552 Cb -0.33 0.13 0.00 0.00 -0.44 0.00 0.00 34.13 33.49 3dmk s GLU 552 CO 0.34 -0.06 0.53 -2.13 0.95 0.00 0.00 175.26 174.89 3dmk n ARG 553 N 2.31 0.00 0.28 -4.83 0.63 -1.26 -0.78 116.66 113.00 3dmk n ARG 553 Ca -0.17 0.08 0.18 0.00 -0.92 0.00 0.00 57.85 57.02 3dmk n ARG 553 Cb 0.57 -1.04 0.99 0.00 0.45 0.00 0.00 32.46 33.43 3dmk n ARG 553 CO 0.00 0.00 0.00 -2.95 -2.51 0.00 0.00 177.63 172.17 3dmk h ASN 554 N 0.00 0.00 0.27 6.15 -0.00 -1.92 0.36 115.58 120.44 3dmk h ASN 554 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 56.30 56.29 3dmk h ASN 554 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.32 3dmk h ASN 554 CO 0.00 0.00 -0.13 -1.28 -0.00 0.00 0.00 177.43 176.02 3dmk h SER 555 N 0.00 -0.31 0.00 6.14 0.87 -1.98 -3.43 113.55 114.84 3dmk h SER 555 Ca 0.00 -0.20 0.00 0.00 -1.23 0.00 0.00 61.79 60.36 3dmk h SER 555 Cb 0.04 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.08 3dmk h SER 555 CO 0.00 0.18 0.00 -0.90 -0.53 0.00 0.00 176.83 175.58 3dmk n ASP 556 N -5.03 0.83 -4.63 6.23 5.75 0.04 -4.99 116.55 114.75 3dmk n ASP 556 Ca -0.08 -1.28 -0.43 0.00 -0.01 0.00 0.00 54.79 53.00 3dmk n ASP 556 Cb 0.25 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.31 3dmk n ASP 556 CO 0.00 0.00 0.00 -1.58 -0.11 0.00 0.00 177.20 175.51 3dmk s GLN 557 N -0.28 3.79 0.04 0.11 0.74 0.12 -4.90 119.66 119.29 3dmk s GLN 557 Ca 0.00 1.57 -0.23 0.00 0.05 0.00 0.00 55.36 56.74 3dmk s GLN 557 Cb 0.00 -4.02 0.08 0.00 1.10 0.00 0.00 33.01 30.17 3dmk s GLN 557 CO 0.00 -1.30 1.08 0.00 -0.55 0.00 0.00 175.29 174.52 3dmk n ALA 558 N 8.40 -2.98 -2.97 1.58 0.00 -0.18 -4.87 120.51 119.49 3dmk n ALA 558 Ca 0.18 -0.79 -0.43 0.00 0.00 0.00 0.00 53.44 52.40 3dmk n ALA 558 Cb 0.46 0.27 -0.09 0.00 0.00 0.00 0.00 19.45 20.08 3dmk n ALA 558 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3dmk s THR 559 N -2.06 4.85 0.51 0.00 -4.23 -1.26 -0.17 115.64 113.28 3dmk s THR 559 Ca 0.25 -1.13 -0.06 0.00 -1.18 0.00 0.00 61.69 59.56 3dmk s THR 559 Cb -0.01 -3.89 -0.04 0.00 1.34 0.00 0.00 72.50 69.90 3dmk s THR 559 CO 0.01 -0.51 0.84 -0.31 -0.54 0.00 0.00 174.62 174.12 3dmk s TYR 560 N 1.56 3.58 0.03 3.99 1.51 0.14 -4.69 117.35 123.47 3dmk s TYR 560 Ca 0.04 0.92 0.04 0.00 -1.01 0.00 0.00 57.07 57.05 3dmk s TYR 560 Cb -0.23 -2.40 -0.02 0.00 -0.11 0.00 0.00 41.96 39.20 3dmk s TYR 560 CO 0.05 -0.37 -0.11 0.95 -1.11 0.00 0.00 175.55 174.96 3dmk s THR 561 N -2.84 0.84 -0.09 -0.71 -4.23 -0.09 -0.14 115.64 108.38 3dmk s THR 561 Ca 0.49 -0.82 0.03 0.00 -1.18 0.00 0.00 61.69 60.21 3dmk s THR 561 Cb -0.10 -0.78 0.00 0.00 1.34 0.00 0.00 72.50 72.96 3dmk s THR 561 CO 0.47 -0.03 -0.20 0.00 -0.54 0.00 0.00 174.62 174.32 3dmk s VAL 563 N 0.45 3.98 -0.14 0.00 1.01 0.36 -0.69 120.40 125.38 3dmk s VAL 563 Ca -0.17 -0.33 0.02 0.00 0.00 0.00 0.00 61.98 61.50 3dmk s VAL 563 Cb -0.17 -2.75 0.02 0.00 0.00 0.00 0.00 36.38 33.47 3dmk s VAL 563 CO 0.07 0.49 -0.18 0.00 0.00 0.00 0.00 175.10 175.48 3dmk s ALA 564 N 0.34 2.04 0.00 5.51 0.00 -0.24 -0.75 121.76 128.66 3dmk s ALA 564 Ca -0.03 -0.98 0.02 0.00 0.00 0.00 0.00 51.96 50.96 3dmk s ALA 564 Cb -0.14 -0.99 -0.01 0.00 0.00 0.00 0.00 23.12 21.99 3dmk s ALA 564 CO 0.03 -0.16 -0.05 -1.59 0.00 0.00 0.00 175.76 173.99 3dmk s LYS 565 N 1.06 0.43 0.69 0.00 -2.85 -0.16 -0.06 119.74 118.84 3dmk s LYS 565 Ca -0.03 -0.25 -0.05 0.00 -1.00 0.00 0.00 55.97 54.64 3dmk s LYS 565 Cb -0.14 -0.39 0.07 0.00 -2.06 0.00 0.00 37.83 35.31 3dmk s LYS 565 CO -0.05 0.10 0.98 0.54 0.10 0.00 0.00 175.35 177.02 3dmk s ASN 566 N -0.29 4.74 0.53 0.03 4.22 -0.38 -0.64 114.94 123.15 3dmk s ASN 566 Ca 0.01 0.24 -0.21 0.00 -2.14 0.00 0.00 52.86 50.76 3dmk s ASN 566 Cb -0.03 -0.86 -0.07 0.00 1.28 0.00 0.00 41.25 41.57 3dmk s ASN 566 CO -0.00 -1.61 1.00 0.00 -2.04 0.00 0.00 177.10 174.45 3dmk n GLN 567 N -2.84 1.13 -3.23 3.55 6.02 -1.25 -3.95 117.38 116.81 3dmk n GLN 567 Ca 0.09 0.42 -0.14 0.00 -0.01 0.00 0.00 57.00 57.36 3dmk n GLN 567 Cb 0.60 -2.16 0.01 0.00 1.02 0.00 0.00 30.24 29.72 3dmk n GLN 567 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.06 175.20 3dmk n GLU 568 N -0.57 -1.79 0.00 -1.09 0.28 -1.26 -4.51 120.64 111.70 3dmk n GLU 568 Ca 0.12 1.52 0.00 0.00 -0.16 0.00 0.00 57.16 58.63 3dmk n GLU 568 Cb 0.44 -4.37 0.00 0.00 1.43 0.00 0.00 31.44 28.94 3dmk n GLU 568 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3dmk n GLY 569 N -1.04 1.98 3.68 -1.84 0.00 -1.25 -5.01 105.19 101.72 3dmk n GLY 569 Ca -0.05 -0.43 -0.44 0.00 0.00 0.00 0.00 46.02 45.10 3dmk n GLY 569 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3dmk n TYR 570 N 0.00 2.22 -4.06 1.61 4.01 -1.26 -4.79 117.16 114.89 3dmk n TYR 570 Ca 0.00 0.47 -0.09 0.00 -0.16 0.00 0.00 57.90 58.12 3dmk n TYR 570 Cb 0.00 -2.45 -0.09 0.00 -0.31 0.00 0.00 39.34 36.50 3dmk n TYR 570 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 3dmk s SER 571 N 0.08 0.23 -0.03 7.72 1.04 -1.26 -1.25 113.70 120.22 3dmk s SER 571 Ca 0.63 -1.03 -0.09 0.00 0.48 0.00 0.00 55.95 55.94 3dmk s SER 571 Cb -0.61 0.33 0.01 0.00 0.10 0.00 0.00 66.02 65.85 3dmk s SER 571 CO 0.54 -0.77 0.20 0.00 0.98 0.00 0.00 173.24 174.19 3dmk s ALA 572 N -3.99 -0.49 -0.05 5.32 0.00 0.91 -4.83 121.76 118.64 3dmk s ALA 572 Ca 0.18 0.21 0.05 0.00 0.00 0.00 0.00 51.96 52.40 3dmk s ALA 572 Cb 0.06 -0.06 -0.02 0.00 0.00 0.00 0.00 23.12 23.10 3dmk s ALA 572 CO -0.01 -0.18 -0.18 1.03 0.00 0.00 0.00 175.76 176.41 3dmk s ARG 573 N -0.86 2.44 -0.02 0.00 0.52 -1.26 -1.08 118.95 118.69 3dmk s ARG 573 Ca -0.09 -0.77 0.04 0.00 -0.52 0.00 0.00 55.73 54.38 3dmk s ARG 573 Cb -0.05 -2.28 -0.01 0.00 0.52 0.00 0.00 34.95 33.13 3dmk s ARG 573 CO 0.02 0.57 -0.15 0.20 0.02 0.00 0.00 175.30 175.95 3dmk s GLY 574 N -0.61 0.78 -0.25 -3.53 0.00 0.14 -4.72 107.32 99.13 3dmk s GLY 574 Ca 0.09 -0.63 0.00 0.00 0.00 0.00 0.00 44.72 44.19 3dmk s GLY 574 CO 0.01 -0.42 -0.09 -0.56 0.00 0.00 0.00 173.10 172.04 3dmk s SER 575 N -0.14 4.28 -0.08 1.64 0.01 -1.26 -0.44 113.70 117.70 3dmk s SER 575 Ca 0.01 -1.09 -0.09 0.00 1.31 0.00 0.00 55.95 56.09 3dmk s SER 575 Cb -0.08 -1.60 -0.05 0.00 0.21 0.00 0.00 66.02 64.50 3dmk s SER 575 CO 0.01 -0.15 0.22 -0.22 0.41 0.00 0.00 173.24 173.51 3dmk s LEU 576 N 1.23 4.42 -0.65 2.44 2.96 0.80 -4.54 118.68 125.34 3dmk s LEU 576 Ca -0.03 0.62 -0.06 0.00 -0.22 0.00 0.00 54.13 54.44 3dmk s LEU 576 Cb -0.18 -2.24 0.17 0.00 0.50 0.00 0.00 46.19 44.44 3dmk s LEU 576 CO -0.05 0.38 0.49 -0.70 -1.32 0.00 0.00 176.35 175.15 3dmk s GLU 577 N -1.06 2.75 -0.58 1.98 2.12 -1.26 0.27 118.70 122.92 3dmk s GLU 577 Ca 0.18 -2.43 -0.28 0.00 0.36 0.00 0.00 54.97 52.80 3dmk s GLU 577 Cb -0.13 -3.88 0.02 0.00 0.26 0.00 0.00 34.13 30.39 3dmk s GLU 577 CO 0.07 -1.19 1.34 0.08 -0.54 0.00 0.00 175.26 175.02 3dmk s VAL 578 N 0.13 3.85 -0.20 3.70 1.01 0.76 -0.97 120.40 128.68 3dmk s VAL 578 Ca 0.16 0.73 -0.13 0.00 0.00 0.00 0.00 61.98 62.74 3dmk s VAL 578 Cb -0.19 -4.55 -0.05 0.00 0.00 0.00 0.00 36.38 31.59 3dmk s VAL 578 CO -0.04 -1.26 0.26 -1.58 0.00 0.00 0.00 175.10 172.48 3dmk s GLN 579 N 5.35 4.18 -0.41 2.72 0.74 -0.03 -1.02 119.66 131.19 3dmk s GLN 579 Ca 0.49 -0.01 0.02 0.00 0.05 0.00 0.00 55.36 55.90 3dmk s GLN 579 Cb -0.10 -3.48 0.11 0.00 1.10 0.00 0.00 33.01 30.64 3dmk s GLN 579 CO 0.25 0.13 0.15 0.08 -0.55 0.00 0.00 175.29 175.34 3dmk s VAL 580 N 0.84 2.64 0.48 1.34 1.01 -1.26 -0.65 120.40 124.79 3dmk s VAL 580 Ca 0.14 -2.54 -0.19 0.00 0.00 0.00 0.00 61.98 59.38 3dmk s VAL 580 Cb -0.13 -2.88 -0.09 0.00 0.00 0.00 0.00 36.38 33.28 3dmk s VAL 580 CO 0.04 -0.68 0.98 -0.04 0.00 0.00 0.00 175.10 175.40 3dmk s MET 581 N 0.63 4.02 -0.29 2.72 -1.94 -0.74 -4.63 119.30 119.07 3dmk s MET 581 Ca 0.12 1.11 -0.18 0.00 -1.71 0.00 0.00 55.69 55.03 3dmk s MET 581 Cb -0.21 -2.14 -0.02 0.00 2.01 0.00 0.00 34.83 34.46 3dmk s MET 581 CO -0.05 -0.21 0.52 0.54 -0.01 0.00 0.00 175.02 175.80 3dmk s VAL 582 N -2.31 5.05 0.14 -6.03 0.11 -1.26 -3.34 120.40 112.75 3dmk s VAL 582 Ca 0.62 0.74 -0.30 0.00 -2.93 0.00 0.00 61.98 60.11 3dmk s VAL 582 Cb -0.11 -3.87 -0.07 0.00 -1.53 0.00 0.00 36.38 30.80 3dmk s VAL 582 CO 0.21 -0.01 1.10 -0.22 -3.33 0.00 0.00 175.10 172.86 3dmk s LEU 583 N 2.35 4.46 0.30 2.54 0.20 -1.26 -2.00 118.68 125.27 3dmk s LEU 583 Ca 0.21 2.03 -0.29 0.00 0.69 0.00 0.00 54.13 56.77 3dmk s LEU 583 Cb -0.15 -3.60 -0.11 0.00 -0.43 0.00 0.00 46.19 41.90 3dmk s LEU 583 CO 0.10 -0.26 1.47 -2.16 -0.29 0.00 0.00 176.35 175.22 3dmk s PRO 584 N -0.01 4.21 -0.40 0.98 0.04 -1.26 -4.66 135.00 133.89 3dmk s PRO 584 Ca 0.51 2.42 -0.08 0.00 0.04 0.00 0.00 61.00 63.89 3dmk s PRO 584 Cb -0.28 -3.05 0.08 0.00 0.04 0.00 0.00 34.50 31.28 3dmk s PRO 584 CO 0.33 -0.46 0.23 0.50 0.04 0.00 0.00 177.00 177.64 3dmk s ARG 585 N -1.00 2.54 0.02 4.56 3.52 -0.44 -4.79 118.95 123.37 3dmk s ARG 585 Ca 0.57 -1.46 -0.28 0.00 -0.13 0.00 0.00 55.73 54.44 3dmk s ARG 585 Cb -0.44 -3.71 -0.04 0.00 -1.56 0.00 0.00 34.95 29.20 3dmk s ARG 585 CO 0.50 -0.92 0.89 -1.50 -0.81 0.00 0.00 175.30 173.46 3dmk s ILE 586 N 1.39 4.79 -0.04 4.11 2.07 -1.26 -3.43 121.20 128.83 3dmk s ILE 586 Ca 0.03 1.88 -0.17 0.00 -1.41 0.00 0.00 60.65 60.98 3dmk s ILE 586 Cb -0.22 -4.24 -0.05 0.00 0.13 0.00 0.00 42.46 38.08 3dmk s ILE 586 CO 0.01 0.25 0.45 -0.51 -1.91 0.00 0.00 174.94 173.24 3dmk s ILE 587 N 0.54 5.05 1.13 2.00 1.10 -0.18 -5.01 121.20 125.83 3dmk s ILE 587 Ca 0.46 0.93 -0.12 0.00 -0.51 0.00 0.00 60.65 61.40 3dmk s ILE 587 Cb -0.21 -3.77 0.27 0.00 0.15 0.00 0.00 42.46 38.89 3dmk s ILE 587 CO 0.26 0.48 1.04 -2.65 -2.11 0.00 0.00 174.94 171.96 3dmk n PRO 588 N 2.54 -2.12 -3.86 3.50 -0.02 -1.26 -4.45 135.00 129.33 3dmk n PRO 588 Ca -0.11 -0.58 -0.25 0.00 -2.02 0.00 0.00 63.50 60.54 3dmk n PRO 588 Cb 0.52 -2.21 -0.02 0.00 -0.02 0.00 0.00 33.50 31.77 3dmk n PRO 588 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 3dmk s PHE 589 N -2.45 1.91 -0.29 6.00 0.08 -1.26 -4.93 117.98 117.04 3dmk s PHE 589 Ca 0.68 -0.76 0.02 0.00 0.12 0.00 0.00 56.93 57.00 3dmk s PHE 589 Cb -0.25 -1.96 0.19 0.00 -0.57 0.00 0.00 43.02 40.42 3dmk s PHE 589 CO 0.64 -0.35 0.56 0.00 -0.10 0.00 0.00 175.22 175.96 3dmk s ALA 590 N -2.70 -2.10 0.68 5.36 0.00 -1.26 -5.12 121.76 116.62 3dmk s ALA 590 Ca 0.37 1.28 -0.14 0.00 0.00 0.00 0.00 51.96 53.47 3dmk s ALA 590 Cb -0.02 -2.26 0.01 0.00 0.00 0.00 0.00 23.12 20.85 3dmk s ALA 590 CO 0.22 -1.57 1.11 -0.06 0.00 0.00 0.00 175.76 175.47 3dmk s PHE 591 N 2.79 2.58 0.06 0.00 0.08 -1.26 -4.94 117.98 117.29 3dmk s PHE 591 Ca 0.15 1.56 -0.30 0.00 0.12 0.00 0.00 56.93 58.45 3dmk s PHE 591 Cb -0.13 -3.17 -0.09 0.00 -0.57 0.00 0.00 43.02 39.06 3dmk s PHE 591 CO -0.23 -1.76 1.88 -1.83 -0.10 0.00 0.00 175.22 173.18 3dmk s GLU 592 N -4.17 4.15 -1.21 0.44 -1.05 -1.26 -4.86 118.70 110.74 3dmk s GLU 592 Ca 0.67 2.56 -0.21 0.00 -0.15 0.00 0.00 54.97 57.85 3dmk s GLU 592 Cb -0.21 -3.92 0.01 0.00 -0.44 0.00 0.00 34.13 29.57 3dmk s GLU 592 CO 0.43 -0.90 1.79 -1.83 0.95 0.00 0.00 175.26 175.71 3dmk s GLU 593 N 3.74 3.34 -0.08 -4.83 -1.05 -1.26 -4.55 118.70 114.01 3dmk s GLU 593 Ca 0.84 -1.52 -0.08 0.00 -0.15 0.00 0.00 54.97 54.07 3dmk s GLU 593 Cb -0.43 -5.39 -0.03 0.00 -0.44 0.00 0.00 34.13 27.85 3dmk s GLU 593 CO 0.38 -2.93 -0.15 0.41 0.95 0.00 0.00 175.26 173.93 3dmk n GLY 594 N 5.78 -0.56 2.25 -3.83 0.00 -1.26 -5.03 105.19 102.54 3dmk n GLY 594 Ca 0.45 -0.14 -0.19 0.00 0.00 0.00 0.00 46.02 46.15 3dmk n GLY 594 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3dmk n PRO 595 N -3.41 -2.12 -2.19 1.61 -0.02 -1.26 -5.07 135.00 122.53 3dmk n PRO 595 Ca -0.06 -1.14 -0.42 0.00 -2.02 0.00 0.00 63.50 59.87 3dmk n PRO 595 Cb 0.22 -1.01 -0.03 0.00 -0.02 0.00 0.00 33.50 32.66 3dmk n PRO 595 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3dmk s ALA 596 N -3.16 3.56 -0.02 3.55 0.00 -1.25 -4.91 121.76 119.54 3dmk s ALA 596 Ca 0.45 1.12 -0.04 0.00 0.00 0.00 0.00 51.96 53.49 3dmk s ALA 596 Cb -0.04 -3.51 -0.04 0.00 0.00 0.00 0.00 23.12 19.53 3dmk s ALA 596 CO 0.34 -0.58 0.20 -1.14 0.00 0.00 0.00 175.76 174.58 3dmk s GLN 597 N 0.54 3.47 0.11 0.00 0.74 -1.26 -1.65 119.66 121.62 3dmk s GLN 597 Ca 0.61 -0.25 -0.36 0.00 0.05 0.00 0.00 55.36 55.42 3dmk s GLN 597 Cb -0.37 -3.10 -0.16 0.00 1.10 0.00 0.00 33.01 30.48 3dmk s GLN 597 CO 0.34 0.68 1.38 1.55 -0.55 0.00 0.00 175.29 178.69 3dmk n VAL 598 N 1.08 0.06 -1.42 1.34 3.14 0.15 -3.21 118.33 119.47 3dmk n VAL 598 Ca -0.12 -0.02 0.00 0.00 -2.96 0.00 0.00 64.34 61.25 3dmk n VAL 598 Cb 0.53 -0.98 0.00 0.00 -1.06 0.00 0.00 33.84 32.33 3dmk n VAL 598 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3dmk n GLY 599 N 2.67 0.38 3.41 7.55 0.00 -0.18 -4.91 105.19 114.11 3dmk n GLY 599 Ca 0.18 -0.27 -0.21 0.00 0.00 0.00 0.00 46.02 45.72 3dmk n GLY 599 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dmk s GLN 600 N -2.95 1.66 -0.29 1.61 -1.52 -1.20 -4.80 119.66 112.17 3dmk s GLN 600 Ca 0.00 -1.95 0.02 0.00 -1.95 0.00 0.00 55.36 51.48 3dmk s GLN 600 Cb 0.00 -0.45 0.08 0.00 -0.22 0.00 0.00 33.01 32.42 3dmk s GLN 600 CO 0.00 -0.36 0.01 -0.47 -0.25 0.00 0.00 175.29 174.22 3dmk s TYR 601 N -3.46 2.80 -0.14 0.91 5.04 -1.26 -0.26 117.35 120.97 3dmk s TYR 601 Ca 0.33 -2.24 -0.02 0.00 -2.44 0.00 0.00 57.07 52.70 3dmk s TYR 601 Cb 0.06 -2.11 -0.02 0.00 0.35 0.00 0.00 41.96 40.24 3dmk s TYR 601 CO 0.15 -0.87 -0.07 -0.51 -1.34 0.00 0.00 175.55 172.92 3dmk s LEU 602 N 1.25 3.06 -0.17 6.97 1.43 0.03 -4.97 118.68 126.28 3dmk s LEU 602 Ca 0.03 -0.19 0.00 0.00 -1.03 0.00 0.00 54.13 52.94 3dmk s LEU 602 Cb -0.19 -1.72 0.03 0.00 0.03 0.00 0.00 46.19 44.34 3dmk s LEU 602 CO -0.11 0.17 -0.11 0.28 0.23 0.00 0.00 176.35 176.81 3dmk s THR 603 N 0.33 1.54 -0.07 5.49 -1.32 -1.26 -0.00 115.64 120.34 3dmk s THR 603 Ca -0.06 -0.77 0.03 0.00 -1.21 0.00 0.00 61.69 59.67 3dmk s THR 603 Cb -0.15 -1.54 -0.02 0.00 -1.51 0.00 0.00 72.50 69.28 3dmk s THR 603 CO 0.04 0.30 -0.15 -0.22 -2.21 0.00 0.00 174.62 172.38 3dmk s LEU 604 N 1.47 2.67 -0.22 9.08 2.96 0.48 -4.85 118.68 130.27 3dmk s LEU 604 Ca 0.02 -0.25 0.01 0.00 -0.22 0.00 0.00 54.13 53.69 3dmk s LEU 604 Cb -0.14 -1.55 0.05 0.00 0.50 0.00 0.00 46.19 45.05 3dmk s LEU 604 CO -0.09 0.30 -0.09 -2.28 -1.32 0.00 0.00 176.35 172.86 3dmk s HIS 605 N -0.43 2.52 -0.46 5.38 5.65 -1.26 0.14 115.29 126.83 3dmk s HIS 605 Ca 0.05 -1.74 -0.14 0.00 0.25 0.00 0.00 55.06 53.48 3dmk s HIS 605 Cb -0.12 -1.66 0.07 0.00 -1.18 0.00 0.00 32.58 29.69 3dmk s HIS 605 CO 0.02 -0.77 0.37 0.00 -0.65 0.00 0.00 174.74 173.70 3dmk s SER 607 N 2.49 4.27 -0.22 0.00 0.01 -1.26 -1.24 113.70 117.74 3dmk s SER 607 Ca 0.04 -0.17 -0.03 0.00 1.31 0.00 0.00 55.95 57.10 3dmk s SER 607 Cb -0.24 -1.19 0.12 0.00 0.21 0.00 0.00 66.02 64.92 3dmk s SER 607 CO 0.06 0.30 0.34 -0.69 0.41 0.00 0.00 173.24 173.66 3dmk s VAL 608 N -0.42 -0.54 0.25 3.43 1.01 -1.26 -1.02 120.40 121.85 3dmk s VAL 608 Ca 0.05 -0.04 -0.11 0.00 0.00 0.00 0.00 61.98 61.88 3dmk s VAL 608 Cb -0.12 -0.75 -0.08 0.00 0.00 0.00 0.00 36.38 35.43 3dmk s VAL 608 CO 0.02 -0.11 0.60 -2.16 0.00 0.00 0.00 175.10 173.45 3dmk s PRO 609 N 2.50 3.87 0.00 2.72 0.04 -1.22 -4.92 135.00 137.99 3dmk s PRO 609 Ca 0.10 0.39 0.00 0.00 0.04 0.00 0.00 61.00 61.53 3dmk s PRO 609 Cb -0.15 -2.61 0.00 0.00 0.04 0.00 0.00 34.50 31.78 3dmk s PRO 609 CO -0.14 0.28 0.00 0.41 0.04 0.00 0.00 177.00 177.59 3dmk n GLY 610 N -0.14 -0.59 3.52 0.56 0.00 -1.26 -1.32 105.19 105.95 3dmk n GLY 610 Ca 0.01 -0.13 -0.44 0.00 0.00 0.00 0.00 46.02 45.45 3dmk n GLY 610 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dmk n GLY 611 N 0.00 0.49 3.23 -0.02 0.00 -0.85 -4.92 105.19 103.12 3dmk n GLY 611 Ca 0.00 0.84 -0.34 0.00 0.00 0.00 0.00 46.02 46.52 3dmk n GLY 611 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3dmk n ASP 612 N 11.85 -3.86 0.00 1.61 8.00 -1.26 -4.42 116.55 128.47 3dmk n ASP 612 Ca 0.39 0.25 0.00 0.00 0.71 0.00 0.00 54.79 56.14 3dmk n ASP 612 Cb 0.35 -1.00 0.00 0.00 -0.02 0.00 0.00 41.12 40.45 3dmk n ASP 612 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3dmk n LEU 613 N 0.86 0.00 -4.69 0.64 7.99 -1.26 -4.84 117.00 115.70 3dmk n LEU 613 Ca 0.03 0.00 -0.42 0.00 -0.01 0.00 0.00 56.01 55.60 3dmk n LEU 613 Cb 0.55 0.00 -0.03 0.00 -0.11 0.00 0.00 43.42 43.83 3dmk n LEU 613 CO 0.52 0.00 1.18 -2.16 -1.51 0.00 0.00 177.39 175.42 3dmk s PRO 614 N 0.00 4.26 -0.28 3.23 0.04 -1.26 -4.96 135.00 136.03 3dmk s PRO 614 Ca 0.00 2.08 -0.02 0.00 0.04 0.00 0.00 61.00 63.10 3dmk s PRO 614 Cb 0.00 -3.57 0.12 0.00 0.04 0.00 0.00 34.50 31.09 3dmk s PRO 614 CO 0.00 -0.62 0.24 -0.51 0.04 0.00 0.00 177.00 176.15 3dmk s LEU 615 N 2.43 -0.01 -0.50 -3.56 1.43 -1.26 -4.27 118.68 112.95 3dmk s LEU 615 Ca 0.67 -0.82 -0.16 0.00 -1.03 0.00 0.00 54.13 52.78 3dmk s LEU 615 Cb -0.34 0.25 0.09 0.00 0.03 0.00 0.00 46.19 46.22 3dmk s LEU 615 CO 0.28 -0.39 0.46 0.21 0.23 0.00 0.00 176.35 177.14 3dmk s ASN 616 N 2.28 6.17 -0.23 2.29 3.04 -0.31 -5.01 114.94 123.17 3dmk s ASN 616 Ca 0.09 -1.44 -0.07 0.00 0.04 0.00 0.00 52.86 51.48 3dmk s ASN 616 Cb -0.15 -2.21 -0.03 0.00 -1.54 0.00 0.00 41.25 37.33 3dmk s ASN 616 CO -0.31 -0.75 0.05 -0.63 -3.04 0.00 0.00 177.10 172.42 3dmk s ILE 617 N 1.76 4.24 0.24 -5.21 1.01 -1.26 -0.79 121.20 121.18 3dmk s ILE 617 Ca 0.05 -0.20 0.08 0.00 0.00 0.00 0.00 60.65 60.58 3dmk s ILE 617 Cb -0.26 -2.96 -0.05 0.00 0.01 0.00 0.00 42.46 39.20 3dmk s ILE 617 CO 0.06 0.37 -0.13 -1.81 0.00 0.00 0.00 174.94 173.43 3dmk s ASP 618 N 1.38 2.84 -0.01 3.58 1.01 0.07 -5.00 116.67 120.54 3dmk s ASP 618 Ca 0.05 -1.07 0.05 0.00 0.71 0.00 0.00 52.55 52.29 3dmk s ASP 618 Cb -0.15 -0.18 -0.03 0.00 1.01 0.00 0.00 42.92 43.58 3dmk s ASP 618 CO 0.03 -0.18 -0.17 0.26 0.21 0.00 0.00 175.17 175.32 3dmk s TRP 619 N -2.89 2.62 -0.03 4.23 0.52 -1.26 -0.92 118.94 121.20 3dmk s TRP 619 Ca 0.26 -0.22 0.01 0.00 0.02 0.00 0.00 56.10 56.17 3dmk s TRP 619 Cb -0.00 -1.55 0.02 0.00 -1.15 0.00 0.00 33.47 30.79 3dmk s TRP 619 CO 0.10 0.20 -0.03 0.95 0.02 0.00 0.00 176.95 178.19 3dmk s THR 620 N -0.81 0.39 -0.11 2.01 -4.23 0.29 -4.40 115.64 108.79 3dmk s THR 620 Ca 0.13 -0.06 -0.03 0.00 -1.18 0.00 0.00 61.69 60.55 3dmk s THR 620 Cb -0.11 -0.44 -0.03 0.00 1.34 0.00 0.00 72.50 73.27 3dmk s THR 620 CO 0.03 0.19 0.01 -0.22 -0.54 0.00 0.00 174.62 174.08 3dmk s LEU 621 N 0.85 3.59 -0.32 4.79 0.20 -0.37 -0.83 118.68 126.59 3dmk s LEU 621 Ca -0.10 0.11 -0.12 0.00 0.69 0.00 0.00 54.13 54.70 3dmk s LEU 621 Cb -0.13 -1.84 -0.08 0.00 -0.43 0.00 0.00 46.19 43.71 3dmk s LEU 621 CO -0.00 0.33 0.94 -0.67 -0.29 0.00 0.00 176.35 176.65 3dmk n ASP 622 N 2.50 0.15 0.00 3.68 2.03 -0.70 -0.58 116.55 123.63 3dmk n ASP 622 Ca -0.18 0.11 0.00 0.00 0.52 0.00 0.00 54.79 55.24 3dmk n ASP 622 Cb 0.53 -0.34 0.00 0.00 -0.72 0.00 0.00 41.12 40.60 3dmk n ASP 622 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3dmk n GLY 623 N 2.47 2.33 1.73 0.27 0.00 -1.26 -5.03 105.19 105.70 3dmk n GLY 623 Ca 0.23 -0.43 -0.08 0.00 0.00 0.00 0.00 46.02 45.74 3dmk n GLY 623 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3dmk n GLN 624 N 0.00 0.33 -3.74 1.61 -0.06 0.26 -5.16 117.38 110.62 3dmk n GLN 624 Ca 0.00 -1.53 -0.27 0.00 -2.00 0.00 0.00 57.00 53.20 3dmk n GLN 624 Cb 0.00 1.41 -0.16 0.00 -4.06 0.00 0.00 30.24 27.42 3dmk n GLN 624 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3dmk s ALA 625 N -2.33 1.00 0.00 1.69 0.00 -1.26 -1.24 121.76 119.62 3dmk s ALA 625 Ca 0.17 -0.68 0.00 0.00 0.00 0.00 0.00 51.96 51.44 3dmk s ALA 625 Cb -0.00 -1.17 0.00 0.00 0.00 0.00 0.00 23.12 21.95 3dmk s ALA 625 CO 0.12 -1.15 0.00 1.51 0.00 0.00 0.00 175.76 176.24 3dmk n ILE 626 N 5.05 0.00 -3.34 0.00 3.06 -1.26 -4.94 119.36 117.93 3dmk n ILE 626 Ca -0.09 0.00 -0.41 0.00 -2.50 0.00 0.00 62.75 59.75 3dmk n ILE 626 Cb 0.47 0.00 -0.09 0.00 0.54 0.00 0.00 39.64 40.56 3dmk n ILE 626 CO 0.00 0.00 0.00 -0.55 -2.50 0.00 0.00 176.55 173.50 3dmk s SER 627 N 0.00 6.24 0.39 9.51 0.15 -1.26 -4.98 113.70 123.74 3dmk s SER 627 Ca 0.00 -0.08 0.17 0.00 0.70 0.00 0.00 55.95 56.74 3dmk s SER 627 Cb 0.00 -2.22 1.06 0.00 -1.71 0.00 0.00 66.02 63.15 3dmk s SER 627 CO 0.00 -0.37 1.78 -0.33 1.20 0.00 0.00 173.24 175.52 3dmk h GLU 628 N 8.41 0.42 -1.09 5.44 5.08 -1.92 0.42 114.58 131.34 3dmk h GLU 628 Ca -0.29 -0.03 0.37 0.00 -1.00 0.00 0.00 59.36 58.41 3dmk h GLU 628 Cb 1.14 -0.09 -0.14 0.00 0.50 0.00 0.00 28.75 30.15 3dmk h GLU 628 CO 0.71 0.28 0.65 -0.44 -1.00 0.00 0.00 179.01 179.21 3dmk h ASP 629 N 0.43 0.40 -0.41 1.42 5.19 -1.95 0.17 116.42 121.67 3dmk h ASP 629 Ca 0.59 0.18 0.09 0.00 -0.62 0.00 0.00 57.03 57.26 3dmk h ASP 629 Cb 1.42 0.15 -0.02 0.00 0.18 0.00 0.00 39.33 41.05 3dmk h ASP 629 CO -0.30 -0.18 0.29 0.25 -3.12 0.00 0.00 179.24 176.17 3dmk h LEU 630 N 0.21 0.15 -0.31 1.55 5.85 -1.33 -3.46 115.31 117.96 3dmk h LEU 630 Ca 0.77 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.49 3dmk h LEU 630 Cb 2.02 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 43.02 3dmk h LEU 630 CO -0.56 0.09 0.00 0.61 -0.34 0.00 0.00 178.44 178.24 3dmk n GLY 631 N -1.57 0.85 2.74 3.75 0.00 0.05 -5.06 105.19 105.95 3dmk n GLY 631 Ca 0.06 -0.74 -0.19 0.00 0.00 0.00 0.00 46.02 45.15 3dmk n GLY 631 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dmk s ILE 632 N -2.10 -0.18 -0.47 -0.61 1.01 -1.26 -4.78 121.20 112.80 3dmk s ILE 632 Ca 0.00 0.34 -0.18 0.00 0.00 0.00 0.00 60.65 60.81 3dmk s ILE 632 Cb 0.00 -0.26 0.05 0.00 0.01 0.00 0.00 42.46 42.26 3dmk s ILE 632 CO 0.00 0.13 0.54 -0.89 0.00 0.00 0.00 174.94 174.72 3dmk s THR 633 N 2.23 4.98 -0.30 2.92 2.01 0.18 -4.86 115.64 122.80 3dmk s THR 633 Ca 0.04 -0.47 -0.15 0.00 0.31 0.00 0.00 61.69 61.41 3dmk s THR 633 Cb -0.12 -4.19 -0.03 0.00 0.01 0.00 0.00 72.50 68.17 3dmk s THR 633 CO -0.05 -0.65 0.38 0.28 -0.69 0.00 0.00 174.62 173.89 3dmk s THR 634 N 2.37 5.16 0.26 -0.82 -1.32 -1.26 -0.39 115.64 119.63 3dmk s THR 634 Ca 0.13 0.35 0.11 0.00 -1.21 0.00 0.00 61.69 61.08 3dmk s THR 634 Cb -0.19 -3.76 -0.05 0.00 -1.51 0.00 0.00 72.50 66.99 3dmk s THR 634 CO 0.12 0.04 -0.19 -0.55 -2.21 0.00 0.00 174.62 171.83 3dmk s SER 635 N 1.69 3.32 0.37 8.08 0.15 -0.42 -5.02 113.70 121.87 3dmk s SER 635 Ca 0.14 -1.02 0.07 0.00 0.70 0.00 0.00 55.95 55.85 3dmk s SER 635 Cb -0.16 -0.26 -0.02 0.00 -1.71 0.00 0.00 66.02 63.88 3dmk s SER 635 CO 0.11 -0.01 0.39 -0.13 1.20 0.00 0.00 173.24 174.80 3dmk s ARG 636 N -3.50 2.74 -0.00 5.44 0.52 -1.26 -0.84 118.95 122.05 3dmk s ARG 636 Ca 0.28 -1.32 0.08 0.00 -0.52 0.00 0.00 55.73 54.24 3dmk s ARG 636 Cb -0.04 -2.54 -0.02 0.00 0.52 0.00 0.00 34.95 32.87 3dmk s ARG 636 CO 0.13 -0.06 -0.25 0.08 0.02 0.00 0.00 175.30 175.22 3dmk s VAL 637 N -2.35 2.01 0.00 3.52 1.01 0.64 -4.70 120.40 120.54 3dmk s VAL 637 Ca 0.46 -1.16 0.00 0.00 0.00 0.00 0.00 61.98 61.28 3dmk s VAL 637 Cb -0.06 -1.69 0.00 0.00 0.00 0.00 0.00 36.38 34.63 3dmk s VAL 637 CO 0.29 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.50 3dmk n GLY 638 N 2.26 0.00 2.36 4.51 0.00 -1.26 -0.70 105.19 112.36 3dmk n GLY 638 Ca -0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.55 3dmk n GLY 638 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3dmk n ARG 639 N -1.86 3.35 -3.99 1.61 3.00 -1.26 -4.69 116.66 112.83 3dmk n ARG 639 Ca 0.00 -2.46 -0.30 0.00 -0.00 0.00 0.00 57.85 55.09 3dmk n ARG 639 Cb 0.00 -2.42 -0.02 0.00 0.00 0.00 0.00 32.46 30.02 3dmk n ARG 639 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 3dmk n ARG 640 N 2.01 -2.21 -2.66 -0.14 5.12 -0.49 -5.02 116.66 113.26 3dmk n ARG 640 Ca 0.59 0.32 -0.18 0.00 -1.93 0.00 0.00 57.85 56.65 3dmk n ARG 640 Cb 0.45 -4.08 0.07 0.00 -1.16 0.00 0.00 32.46 27.73 3dmk n ARG 640 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3dmk n GLY 641 N -2.06 1.71 3.17 -0.13 0.00 0.12 -4.73 105.19 103.27 3dmk n GLY 641 Ca -0.26 -2.18 -0.13 0.00 0.00 0.00 0.00 46.02 43.45 3dmk n GLY 641 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3dmk s SER 642 N -4.24 -0.22 -0.15 1.61 0.15 -0.37 -0.26 113.70 110.21 3dmk s SER 642 Ca 0.54 0.34 -0.02 0.00 0.70 0.00 0.00 55.95 57.51 3dmk s SER 642 Cb -0.04 0.46 0.05 0.00 -1.71 0.00 0.00 66.02 64.77 3dmk s SER 642 CO 0.35 -0.22 0.02 0.68 1.20 0.00 0.00 173.24 175.27 3dmk s VAL 643 N -0.42 0.48 -0.42 4.45 -7.23 -0.02 -0.77 120.40 116.48 3dmk s VAL 643 Ca -0.05 -0.31 -0.21 0.00 -1.81 0.00 0.00 61.98 59.60 3dmk s VAL 643 Cb -0.04 -0.86 0.02 0.00 0.56 0.00 0.00 36.38 36.07 3dmk s VAL 643 CO 0.01 -0.03 0.66 -0.22 -0.31 0.00 0.00 175.10 175.22 3dmk s LEU 644 N 1.90 4.42 -0.15 1.32 2.96 0.12 -1.31 118.68 127.94 3dmk s LEU 644 Ca 0.01 -0.21 -0.05 0.00 -0.22 0.00 0.00 54.13 53.66 3dmk s LEU 644 Cb -0.15 -2.77 -0.04 0.00 0.50 0.00 0.00 46.19 43.73 3dmk s LEU 644 CO -0.07 -0.76 0.04 0.42 -1.32 0.00 0.00 176.35 174.66 3dmk s THR 645 N 2.86 4.63 -0.41 3.68 -4.23 0.48 -0.39 115.64 122.25 3dmk s THR 645 Ca 0.24 -0.10 0.02 0.00 -1.18 0.00 0.00 61.69 60.66 3dmk s THR 645 Cb -0.14 -3.03 0.12 0.00 1.34 0.00 0.00 72.50 70.79 3dmk s THR 645 CO 0.19 0.52 0.20 -0.63 -0.54 0.00 0.00 174.62 174.35 3dmk s ILE 646 N -0.13 1.49 0.40 2.99 1.01 0.99 -0.65 121.20 127.31 3dmk s ILE 646 Ca 0.06 -2.39 -0.18 0.00 0.00 0.00 0.00 60.65 58.14 3dmk s ILE 646 Cb -0.12 -2.07 -0.10 0.00 0.01 0.00 0.00 42.46 40.18 3dmk s ILE 646 CO 0.01 -0.82 0.88 -1.83 0.00 0.00 0.00 174.94 173.19 3dmk s GLU 647 N 0.58 4.12 -0.92 2.79 -1.05 -1.26 -0.79 118.70 122.18 3dmk s GLU 647 Ca 0.15 0.94 -0.04 0.00 -0.15 0.00 0.00 54.97 55.88 3dmk s GLU 647 Cb -0.23 -2.26 -0.04 0.00 -0.44 0.00 0.00 34.13 31.16 3dmk s GLU 647 CO -0.05 0.01 0.82 0.00 0.95 0.00 0.00 175.26 176.99 3dmk n ALA 648 N -0.64 -2.50 -1.73 -0.84 0.00 0.64 -4.92 120.51 110.52 3dmk n ALA 648 Ca 0.06 0.07 -0.42 0.00 0.00 0.00 0.00 53.44 53.14 3dmk n ALA 648 Cb 0.54 -3.95 -0.02 0.00 0.00 0.00 0.00 19.45 16.01 3dmk n ALA 648 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3dmk n VAL 649 N -2.64 0.69 -4.43 0.00 0.31 -0.18 -4.78 118.33 107.32 3dmk n VAL 649 Ca -0.04 -0.17 -0.21 0.00 -0.01 0.00 0.00 64.34 63.90 3dmk n VAL 649 Cb 0.57 -1.89 -0.10 0.00 -0.91 0.00 0.00 33.84 31.51 3dmk n VAL 649 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 3dmk s GLU 650 N 0.01 1.54 0.31 5.55 2.02 -1.26 -1.01 118.70 125.86 3dmk s GLU 650 Ca 0.68 -1.77 0.03 0.00 0.02 0.00 0.00 54.97 53.93 3dmk s GLU 650 Cb -0.53 -1.19 0.60 0.00 0.10 0.00 0.00 34.13 33.12 3dmk s GLU 650 CO 0.44 0.06 1.88 0.00 0.02 0.00 0.00 175.26 177.67 3dmk h ALA 651 N 2.29 1.59 -0.19 5.21 0.00 -1.95 0.04 119.26 126.25 3dmk h ALA 651 Ca -0.40 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.56 3dmk h ALA 651 Cb 1.23 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 3dmk h ALA 651 CO 0.67 0.23 0.19 0.77 0.00 0.00 0.00 179.25 181.10 3dmk h SER 652 N 0.94 0.00 0.39 0.00 0.02 -1.98 -0.60 113.55 112.31 3dmk h SER 652 Ca 0.43 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.38 3dmk h SER 652 Cb 0.38 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.92 3dmk h SER 652 CO -0.19 0.00 0.00 1.41 -1.14 0.00 0.00 176.83 176.91 3dmk n HIS 653 N -3.91 0.00 -2.46 3.45 8.25 0.00 -4.86 115.22 115.70 3dmk n HIS 653 Ca 0.02 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.08 3dmk n HIS 653 Cb 0.32 -0.21 -0.04 0.00 1.12 0.00 0.00 29.99 31.18 3dmk n HIS 653 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3dmk s ALA 654 N -2.41 3.38 0.00 -1.41 0.00 -0.24 -4.92 121.76 116.16 3dmk s ALA 654 Ca 0.32 0.90 0.00 0.00 0.00 0.00 0.00 51.96 53.18 3dmk s ALA 654 Cb 0.19 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.98 3dmk s ALA 654 CO 0.41 -0.20 0.00 0.41 0.00 0.00 0.00 175.76 176.38 3dmk n GLY 655 N 1.10 0.96 3.59 0.00 0.00 0.16 -5.03 105.19 105.97 3dmk n GLY 655 Ca -0.01 -1.88 -0.42 0.00 0.00 0.00 0.00 46.02 43.72 3dmk n GLY 655 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3dmk s ASN 656 N -4.00 6.54 -0.08 1.61 -0.87 -1.26 -1.02 114.94 115.86 3dmk s ASN 656 Ca 0.00 0.41 -0.03 0.00 -1.57 0.00 0.00 52.86 51.66 3dmk s ASN 656 Cb 0.00 -2.37 -0.04 0.00 -0.02 0.00 0.00 41.25 38.83 3dmk s ASN 656 CO 0.00 -0.61 0.07 -0.36 -2.57 0.00 0.00 177.10 173.63 3dmk s PHE 657 N 2.86 3.34 -0.11 2.20 0.40 -0.65 -1.71 117.98 124.30 3dmk s PHE 657 Ca 0.29 0.31 -0.05 0.00 -0.60 0.00 0.00 56.93 56.88 3dmk s PHE 657 Cb -0.14 -1.83 0.05 0.00 0.51 0.00 0.00 43.02 41.61 3dmk s PHE 657 CO 0.14 0.58 0.25 0.99 0.70 0.00 0.00 175.22 177.88 3dmk s THR 658 N -1.01 -0.19 -0.48 0.64 2.01 -0.01 -0.41 115.64 116.19 3dmk s THR 658 Ca 0.16 0.20 -0.26 0.00 0.31 0.00 0.00 61.69 62.11 3dmk s THR 658 Cb -0.12 -0.40 0.03 0.00 0.01 0.00 0.00 72.50 72.02 3dmk s THR 658 CO 0.06 0.08 0.96 0.00 -0.69 0.00 0.00 174.62 175.03 3dmk s HIS 660 N 3.90 3.29 -0.14 0.00 5.04 -0.10 -1.50 115.29 125.79 3dmk s HIS 660 Ca 0.38 -1.21 0.01 0.00 -1.54 0.00 0.00 55.06 52.69 3dmk s HIS 660 Cb -0.10 -3.11 0.02 0.00 0.04 0.00 0.00 32.58 29.43 3dmk s HIS 660 CO 0.26 -0.83 -0.14 0.00 -2.34 0.00 0.00 174.74 171.69 3dmk s ALA 661 N 1.54 1.80 0.17 1.58 0.00 -0.25 -0.75 121.76 125.85 3dmk s ALA 661 Ca 0.04 -0.85 0.11 0.00 0.00 0.00 0.00 51.96 51.25 3dmk s ALA 661 Cb -0.24 -0.99 -0.04 0.00 0.00 0.00 0.00 23.12 21.85 3dmk s ALA 661 CO 0.04 -0.29 -0.23 -0.98 0.00 0.00 0.00 175.76 174.30 3dmk s ARG 662 N 1.34 1.41 -0.04 0.00 1.70 0.03 -1.24 118.95 122.15 3dmk s ARG 662 Ca 0.02 -1.43 -0.02 0.00 -0.47 0.00 0.00 55.73 53.82 3dmk s ARG 662 Cb -0.13 -1.73 0.02 0.00 -0.57 0.00 0.00 34.95 32.54 3dmk s ARG 662 CO -0.08 0.38 0.10 1.21 -1.08 0.00 0.00 175.30 175.83 3dmk s ASN 663 N -2.46 -0.07 0.00 -2.89 3.84 0.09 -1.16 114.94 112.30 3dmk s ASN 663 Ca 0.17 0.19 0.00 0.00 0.21 0.00 0.00 52.86 53.43 3dmk s ASN 663 Cb -0.08 0.13 0.00 0.00 -0.55 0.00 0.00 41.25 40.75 3dmk s ASN 663 CO 0.08 -0.09 0.00 -0.11 -2.79 0.00 0.00 177.10 174.19 3dmk n LEU 664 N 3.66 0.00 -1.21 3.21 7.94 -1.26 -0.23 117.00 129.10 3dmk n LEU 664 Ca -0.20 0.00 -0.05 0.00 -1.11 0.00 0.00 56.01 54.65 3dmk n LEU 664 Cb 0.55 0.00 0.02 0.00 0.53 0.00 0.00 43.42 44.52 3dmk n LEU 664 CO 0.21 0.00 0.06 0.00 -1.11 0.00 0.00 177.39 176.55 3dmk n ALA 665 N 0.00 -0.30 0.00 1.96 0.00 -1.26 -4.90 120.51 116.01 3dmk n ALA 665 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.53 3dmk n ALA 665 Cb 0.00 -1.63 0.00 0.00 0.00 0.00 0.00 19.45 17.82 3dmk n ALA 665 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dmk n GLY 666 N -0.85 2.32 3.08 0.00 0.00 0.68 -4.82 105.19 105.60 3dmk n GLY 666 Ca 0.00 -0.77 -0.10 0.00 0.00 0.00 0.00 46.02 45.15 3dmk n GLY 666 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3dmk s HIS 667 N -2.00 -0.71 0.13 1.61 -3.43 -1.26 -0.73 115.29 108.90 3dmk s HIS 667 Ca 0.00 1.14 0.07 0.00 -0.80 0.00 0.00 55.06 55.47 3dmk s HIS 667 Cb 0.00 0.12 -0.04 0.00 -1.43 0.00 0.00 32.58 31.23 3dmk s HIS 667 CO 0.00 -0.54 -0.16 -0.65 -2.00 0.00 0.00 174.74 171.39 3dmk s GLN 668 N 2.54 1.10 0.11 -0.38 -1.52 -0.37 -4.98 119.66 116.17 3dmk s GLN 668 Ca 0.04 -1.27 -0.15 0.00 -1.95 0.00 0.00 55.36 52.03 3dmk s GLN 668 Cb -0.13 -1.07 0.03 0.00 -0.22 0.00 0.00 33.01 31.62 3dmk s GLN 668 CO -0.13 0.22 0.37 1.14 -0.25 0.00 0.00 175.29 176.63 3dmk s GLN 669 N -2.60 1.02 -0.02 2.91 -2.07 -1.26 -1.09 119.66 116.55 3dmk s GLN 669 Ca 0.10 -0.73 -0.02 0.00 -1.82 0.00 0.00 55.36 52.89 3dmk s GLN 669 Cb -0.06 0.44 0.01 0.00 -1.09 0.00 0.00 33.01 32.31 3dmk s GLN 669 CO 0.04 -0.39 0.06 0.12 -1.32 0.00 0.00 175.29 173.81 3dmk s PHE 670 N -3.73 -0.07 -0.06 9.60 5.36 -0.56 -5.00 117.98 123.53 3dmk s PHE 670 Ca 0.03 0.17 0.03 0.00 -0.96 0.00 0.00 56.93 56.20 3dmk s PHE 670 Cb 0.02 0.02 -0.03 0.00 -0.34 0.00 0.00 43.02 42.69 3dmk s PHE 670 CO -0.11 -0.04 -0.12 0.99 -1.46 0.00 0.00 175.22 174.48 3dmk s THR 671 N 0.07 3.22 -0.01 0.12 2.01 -1.26 -0.74 115.64 119.05 3dmk s THR 671 Ca -0.00 -0.66 0.02 0.00 0.31 0.00 0.00 61.69 61.36 3dmk s THR 671 Cb -0.01 -2.28 -0.01 0.00 0.01 0.00 0.00 72.50 70.22 3dmk s THR 671 CO -0.00 0.59 -0.07 -0.89 -0.69 0.00 0.00 174.62 173.56 3dmk s THR 672 N -0.70 0.59 0.31 -0.82 2.01 0.45 -4.99 115.64 112.49 3dmk s THR 672 Ca 0.11 -0.32 -0.24 0.00 0.31 0.00 0.00 61.69 61.55 3dmk s THR 672 Cb -0.11 -0.49 -0.10 0.00 0.01 0.00 0.00 72.50 71.81 3dmk s THR 672 CO 0.01 0.17 0.90 -2.16 -0.69 0.00 0.00 174.62 172.85 3dmk s PRO 673 N -0.17 4.50 -0.31 4.92 0.05 -1.26 -1.64 135.00 141.09 3dmk s PRO 673 Ca 0.03 1.22 0.01 0.00 0.05 0.00 0.00 61.00 62.31 3dmk s PRO 673 Cb -0.03 -2.78 0.09 0.00 0.05 0.00 0.00 34.50 31.84 3dmk s PRO 673 CO -0.00 0.28 0.06 -1.17 0.05 0.00 0.00 177.00 176.22 3dmk s LEU 674 N -2.11 3.26 -0.16 -3.56 0.20 -0.19 -4.93 118.68 111.20 3dmk s LEU 674 Ca 0.49 -1.76 -0.16 0.00 0.69 0.00 0.00 54.13 53.40 3dmk s LEU 674 Cb -0.18 -1.21 -0.04 0.00 -0.43 0.00 0.00 46.19 44.33 3dmk s LEU 674 CO 0.23 -0.37 0.37 0.20 -0.29 0.00 0.00 176.35 176.48 3dmk s ASN 675 N 1.31 6.51 -0.54 3.68 -0.87 -1.26 -0.67 114.94 123.10 3dmk s ASN 675 Ca 0.08 0.60 -0.03 0.00 -1.57 0.00 0.00 52.86 51.93 3dmk s ASN 675 Cb -0.18 -2.22 0.14 0.00 -0.02 0.00 0.00 41.25 38.97 3dmk s ASN 675 CO -0.15 0.03 0.35 0.54 -2.57 0.00 0.00 177.10 175.30 3dmk s VAL 676 N 0.70 3.61 0.70 1.60 0.11 -1.26 -3.83 120.40 122.04 3dmk s VAL 676 Ca 0.20 -2.54 -0.06 0.00 -2.93 0.00 0.00 61.98 56.65 3dmk s VAL 676 Cb -0.14 -3.40 0.07 0.00 -1.53 0.00 0.00 36.38 31.38 3dmk s VAL 676 CO 0.07 -0.80 1.01 -0.31 -3.33 0.00 0.00 175.10 171.73 3dmk s TYR 677 N 0.48 2.81 -0.01 1.54 1.51 -0.66 -4.82 117.35 118.20 3dmk s TYR 677 Ca 0.13 0.37 0.01 0.00 -1.01 0.00 0.00 57.07 56.58 3dmk s TYR 677 Cb -0.21 -3.19 0.00 0.00 -0.11 0.00 0.00 41.96 38.45 3dmk s TYR 677 CO -0.04 -1.43 -0.04 0.08 -1.11 0.00 0.00 175.55 173.01 3dmk s VAL 678 N -3.23 0.36 0.93 0.71 1.01 0.25 0.29 120.40 120.72 3dmk s VAL 678 Ca 0.61 -0.15 -0.14 0.00 0.00 0.00 0.00 61.98 62.30 3dmk s VAL 678 Cb -0.10 -0.34 0.16 0.00 0.00 0.00 0.00 36.38 36.10 3dmk s VAL 678 CO 0.45 0.13 1.23 -2.16 0.00 0.00 0.00 175.10 174.74 3dmk s PRO 679 N 0.20 0.95 0.17 2.72 0.04 -1.26 -0.96 135.00 136.86 3dmk s PRO 679 Ca -0.02 -0.11 -0.30 0.00 0.04 0.00 0.00 61.00 60.60 3dmk s PRO 679 Cb -0.05 -1.85 -0.08 0.00 0.04 0.00 0.00 34.50 32.55 3dmk s PRO 679 CO -0.00 -2.25 1.31 -2.14 0.04 0.00 0.00 177.00 173.96 3dmk s PRO 680 N -5.66 4.39 0.07 0.56 0.02 -1.26 -4.22 135.00 128.89 3dmk s PRO 680 Ca 0.68 2.03 0.09 0.00 0.02 0.00 0.00 61.00 63.82 3dmk s PRO 680 Cb -0.08 -3.22 -0.03 0.00 0.02 0.00 0.00 34.50 31.19 3dmk s PRO 680 CO 0.52 -0.28 -0.23 0.50 -0.33 0.00 0.00 177.00 177.18 3dmk s ARG 681 N 0.19 1.47 0.34 5.54 3.52 -0.51 -4.92 118.95 124.60 3dmk s ARG 681 Ca 0.58 -1.08 -0.26 0.00 -0.13 0.00 0.00 55.73 54.84 3dmk s ARG 681 Cb -0.36 -1.68 -0.09 0.00 -1.56 0.00 0.00 34.95 31.25 3dmk s ARG 681 CO 0.36 0.42 1.00 -1.58 -0.81 0.00 0.00 175.30 174.70 3dmk s TRP 682 N -0.89 3.52 0.00 5.12 0.52 -1.26 0.33 118.94 126.28 3dmk s TRP 682 Ca 0.10 1.72 0.00 0.00 0.02 0.00 0.00 56.10 57.94 3dmk s TRP 682 Cb -0.09 -3.05 0.00 0.00 -1.15 0.00 0.00 33.47 29.18 3dmk s TRP 682 CO 0.03 -0.20 0.06 0.44 0.02 0.00 0.00 176.95 177.30 3dmk n ILE 683 N 0.42 0.00 -3.10 2.03 -5.35 -0.36 -4.77 119.36 108.23 3dmk n ILE 683 Ca 0.03 -0.46 0.01 0.00 -0.27 0.00 0.00 62.75 62.05 3dmk n ILE 683 Cb 0.49 1.01 -0.01 0.00 -1.74 0.00 0.00 39.64 39.40 3dmk n ILE 683 CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 3dmk s LEU 684 N -1.60 -1.33 -0.05 7.28 2.96 0.20 -4.98 118.68 121.15 3dmk s LEU 684 Ca 0.00 -0.75 -0.16 0.00 -0.22 0.00 0.00 54.13 53.00 3dmk s LEU 684 Cb 0.00 1.70 -0.05 0.00 0.50 0.00 0.00 46.19 48.34 3dmk s LEU 684 CO 0.00 -0.14 0.44 -1.83 -1.32 0.00 0.00 176.35 173.50 3dmk s GLU 685 N 1.79 4.13 0.94 1.98 -1.05 -1.26 -1.39 118.70 123.83 3dmk s GLU 685 Ca 0.17 0.42 -0.10 0.00 -0.15 0.00 0.00 54.97 55.31 3dmk s GLU 685 Cb -0.02 -3.32 0.16 0.00 -0.44 0.00 0.00 34.13 30.50 3dmk s GLU 685 CO -0.08 0.45 1.14 -1.25 0.95 0.00 0.00 175.26 176.46 3dmk s PRO 686 N -0.30 0.84 -0.29 -4.83 0.04 -1.26 -5.02 135.00 124.18 3dmk s PRO 686 Ca 0.24 1.50 -0.06 0.00 0.04 0.00 0.00 61.00 62.72 3dmk s PRO 686 Cb -0.16 -1.71 0.02 0.00 0.04 0.00 0.00 34.50 32.69 3dmk s PRO 686 CO 0.12 -2.73 0.06 0.95 0.04 0.00 0.00 177.00 175.43 3dmk s THR 687 N -2.63 3.73 -0.26 1.26 -4.23 -1.26 -5.01 115.64 107.24 3dmk s THR 687 Ca 0.67 -0.82 -0.40 0.00 -1.18 0.00 0.00 61.69 59.96 3dmk s THR 687 Cb -0.23 -2.95 -0.18 0.00 1.34 0.00 0.00 72.50 70.48 3dmk s THR 687 CO 0.59 0.06 1.25 -0.67 -0.54 0.00 0.00 174.62 175.30 3dmk n ASP 688 N 4.82 0.61 -3.88 3.99 4.64 -1.26 -4.92 116.55 120.55 3dmk n ASP 688 Ca -0.15 1.07 -0.11 0.00 -1.38 0.00 0.00 54.79 54.23 3dmk n ASP 688 Cb 0.47 -0.82 -0.11 0.00 -1.04 0.00 0.00 41.12 39.63 3dmk n ASP 688 CO 0.00 0.00 0.00 -0.75 -0.82 0.00 0.00 177.20 175.63 3dmk s LYS 689 N 1.53 0.39 -0.14 -0.67 2.47 -0.58 -4.99 119.74 117.75 3dmk s LYS 689 Ca 0.90 -0.32 -0.00 0.00 -1.56 0.00 0.00 55.97 54.99 3dmk s LYS 689 Cb -1.28 0.16 0.03 0.00 -1.46 0.00 0.00 37.83 35.29 3dmk s LYS 689 CO 0.65 -0.09 -0.06 0.00 0.16 0.00 0.00 175.35 176.01 3dmk s ALA 690 N -1.11 1.41 0.64 3.13 0.00 -1.26 -1.21 121.76 123.37 3dmk s ALA 690 Ca -0.12 -0.70 -0.01 0.00 0.00 0.00 0.00 51.96 51.13 3dmk s ALA 690 Cb -0.07 -1.03 0.07 0.00 0.00 0.00 0.00 23.12 22.10 3dmk s ALA 690 CO 0.01 -0.61 0.90 -0.06 0.00 0.00 0.00 175.76 176.00 3dmk s PHE 691 N 1.67 2.42 0.32 0.00 0.08 0.00 -4.87 117.98 117.61 3dmk s PHE 691 Ca 0.03 -0.02 -0.08 0.00 0.12 0.00 0.00 56.93 56.99 3dmk s PHE 691 Cb -0.14 -2.94 -0.06 0.00 -0.57 0.00 0.00 43.02 39.32 3dmk s PHE 691 CO -0.08 -1.28 0.62 0.00 -0.10 0.00 0.00 175.22 174.39 3dmk s ALA 692 N -2.99 3.52 -0.15 5.36 0.00 -1.26 -0.69 121.76 125.54 3dmk s ALA 692 Ca 0.61 -0.39 -0.38 0.00 0.00 0.00 0.00 51.96 51.80 3dmk s ALA 692 Cb -0.09 -2.46 -0.15 0.00 0.00 0.00 0.00 23.12 20.43 3dmk s ALA 692 CO 0.42 0.21 1.69 0.00 0.00 0.00 0.00 175.76 178.08 3dmk n GLN 693 N -0.90 1.43 -1.39 0.00 10.64 0.31 -1.11 117.38 126.36 3dmk n GLN 693 Ca 0.00 0.52 -0.14 0.00 -1.83 0.00 0.00 57.00 55.56 3dmk n GLN 693 Cb 0.54 -2.24 -0.06 0.00 -0.86 0.00 0.00 30.24 27.62 3dmk n GLN 693 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3dmk n GLY 694 N 3.90 1.41 3.84 2.61 0.00 -0.04 -4.91 105.19 112.00 3dmk n GLY 694 Ca 0.24 -0.34 -0.32 0.00 0.00 0.00 0.00 46.02 45.59 3dmk n GLY 694 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3dmk s SER 695 N -2.81 6.69 -0.42 1.61 0.01 -0.27 -4.18 113.70 114.33 3dmk s SER 695 Ca 0.00 1.53 -0.29 0.00 1.31 0.00 0.00 55.95 58.50 3dmk s SER 695 Cb 0.00 -2.49 0.02 0.00 0.21 0.00 0.00 66.02 63.76 3dmk s SER 695 CO 0.00 -0.50 1.21 -1.81 0.41 0.00 0.00 173.24 172.55 3dmk s ASP 696 N -2.86 6.61 -0.46 2.44 1.01 -1.26 -0.55 116.67 121.61 3dmk s ASP 696 Ca 0.58 0.73 -0.28 0.00 0.71 0.00 0.00 52.55 54.30 3dmk s ASP 696 Cb -0.10 -2.55 0.03 0.00 1.01 0.00 0.00 42.92 41.32 3dmk s ASP 696 CO 0.27 -1.22 1.07 0.00 0.21 0.00 0.00 175.17 175.50 3dmk s ALA 697 N 4.55 3.20 -0.49 5.23 0.00 0.84 -4.90 121.76 130.19 3dmk s ALA 697 Ca 0.52 -0.55 -0.01 0.00 0.00 0.00 0.00 51.96 51.91 3dmk s ALA 697 Cb -0.11 -3.80 0.13 0.00 0.00 0.00 0.00 23.12 19.34 3dmk s ALA 697 CO 0.28 -2.15 0.28 0.15 0.00 0.00 0.00 175.76 174.32 3dmk s LYS 698 N 4.19 2.13 -0.22 0.00 1.02 -1.26 -0.76 119.74 124.84 3dmk s LYS 698 Ca 0.44 -2.20 -0.01 0.00 0.02 0.00 0.00 55.97 54.23 3dmk s LYS 698 Cb -0.08 -3.55 0.02 0.00 -0.52 0.00 0.00 37.83 33.70 3dmk s LYS 698 CO 0.29 -1.10 -0.11 0.54 -0.92 0.00 0.00 175.35 174.05 3dmk s VAL 699 N 0.47 2.59 -0.28 3.17 0.11 -0.57 -5.00 120.40 120.89 3dmk s VAL 699 Ca 0.13 -1.00 -0.16 0.00 -2.93 0.00 0.00 61.98 58.02 3dmk s VAL 699 Cb -0.22 -2.25 -0.03 0.00 -1.53 0.00 0.00 36.38 32.35 3dmk s VAL 699 CO -0.04 0.31 0.42 -1.61 -3.33 0.00 0.00 175.10 170.85 3dmk s GLU 700 N 1.31 3.98 -0.15 1.54 2.02 -1.26 -0.55 118.70 125.58 3dmk s GLU 700 Ca 0.01 0.07 -0.02 0.00 0.02 0.00 0.00 54.97 55.06 3dmk s GLU 700 Cb -0.16 -3.67 -0.02 0.00 0.10 0.00 0.00 34.13 30.38 3dmk s GLU 700 CO -0.07 -0.33 -0.08 0.00 0.02 0.00 0.00 175.26 174.80 3dmk s LYS 702 N 0.45 0.62 0.41 0.00 2.20 -0.48 -4.21 119.74 118.72 3dmk s LYS 702 Ca -0.07 1.13 0.05 0.00 -0.36 0.00 0.00 55.97 56.72 3dmk s LYS 702 Cb -0.15 0.15 -0.06 0.00 -1.51 0.00 0.00 37.83 36.26 3dmk s LYS 702 CO 0.04 -0.16 0.03 0.00 -0.36 0.00 0.00 175.35 174.90 3dmk s ALA 703 N 1.68 3.10 -0.06 3.13 0.00 -1.26 -0.63 121.76 127.72 3dmk s ALA 703 Ca -0.09 -1.75 -0.02 0.00 0.00 0.00 0.00 51.96 50.09 3dmk s ALA 703 Cb -0.06 0.34 0.04 0.00 0.00 0.00 0.00 23.12 23.43 3dmk s ALA 703 CO -0.18 -0.18 0.10 0.34 0.00 0.00 0.00 175.76 175.85 3dmk s ASP 704 N -3.67 0.65 0.05 0.00 2.15 0.15 -4.78 116.67 111.23 3dmk s ASP 704 Ca 0.29 0.20 -0.28 0.00 0.43 0.00 0.00 52.55 53.19 3dmk s ASP 704 Cb 0.07 0.07 0.09 0.00 -0.30 0.00 0.00 42.92 42.85 3dmk s ASP 704 CO 0.14 -0.21 0.97 -0.83 -0.17 0.00 0.00 175.17 175.06 3dmk s GLY 705 N 1.90 -0.35 -0.21 2.66 0.00 -1.26 -1.42 107.32 108.63 3dmk s GLY 705 Ca 0.00 0.62 0.02 0.00 0.00 0.00 0.00 44.72 45.36 3dmk s GLY 705 CO -0.04 0.18 -0.14 -0.12 0.00 0.00 0.00 173.10 172.97 3dmk s PHE 706 N -3.11 2.87 0.67 1.90 5.36 -0.14 -2.08 117.98 123.46 3dmk s PHE 706 Ca 0.09 -1.88 -0.13 0.00 -0.96 0.00 0.00 56.93 54.05 3dmk s PHE 706 Cb -0.01 -1.85 0.00 0.00 -0.34 0.00 0.00 43.02 40.82 3dmk s PHE 706 CO -0.03 -0.82 1.07 -2.14 -1.46 0.00 0.00 175.22 171.84 3dmk s PRO 707 N 1.25 2.89 -0.02 10.12 0.02 -1.26 -0.58 135.00 147.41 3dmk s PRO 707 Ca -0.02 1.14 -0.40 0.00 0.02 0.00 0.00 61.00 61.75 3dmk s PRO 707 Cb -0.16 -1.98 -0.19 0.00 0.02 0.00 0.00 34.50 32.19 3dmk s PRO 707 CO -0.09 -1.15 1.19 1.63 -0.33 0.00 0.00 177.00 178.25 3dmk n LYS 708 N -2.77 0.32 -2.08 5.54 5.02 -0.88 -4.74 118.16 118.57 3dmk n LYS 708 Ca 0.09 0.12 -0.29 0.00 -2.02 0.00 0.00 58.31 56.20 3dmk n LYS 708 Cb 0.53 -1.66 0.04 0.00 -0.02 0.00 0.00 35.03 33.92 3dmk n LYS 708 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3dmk s PRO 709 N 0.42 2.98 -0.11 1.97 0.04 -1.26 -4.76 135.00 134.28 3dmk s PRO 709 Ca 0.91 0.33 -0.03 0.00 0.04 0.00 0.00 61.00 62.24 3dmk s PRO 709 Cb -1.20 -2.12 -0.03 0.00 0.04 0.00 0.00 34.50 31.18 3dmk s PRO 709 CO 0.56 -0.85 0.02 1.14 0.04 0.00 0.00 177.00 177.92 3dmk s GLN 710 N -5.20 3.28 -0.58 4.56 0.00 0.14 -4.89 119.66 116.97 3dmk s GLN 710 Ca 0.56 -0.38 -0.15 0.00 -0.00 0.00 0.00 55.36 55.39 3dmk s GLN 710 Cb -0.11 -2.92 0.14 0.00 0.00 0.00 0.00 33.01 30.13 3dmk s GLN 710 CO 0.50 0.58 0.53 0.08 0.00 0.00 0.00 175.29 176.98 3dmk s VAL 711 N -0.54 5.19 0.60 3.63 1.01 -1.26 -1.73 120.40 127.30 3dmk s VAL 711 Ca 0.10 -1.68 -0.11 0.00 0.00 0.00 0.00 61.98 60.29 3dmk s VAL 711 Cb -0.12 -4.31 -0.04 0.00 0.00 0.00 0.00 36.38 31.91 3dmk s VAL 711 CO 0.02 -0.89 1.01 0.42 0.00 0.00 0.00 175.10 175.66 3dmk s THR 712 N 1.35 4.73 0.31 3.92 -4.23 0.35 -4.65 115.64 117.42 3dmk s THR 712 Ca 0.06 0.82 0.06 0.00 -1.18 0.00 0.00 61.69 61.45 3dmk s THR 712 Cb -0.27 -3.87 -0.06 0.00 1.34 0.00 0.00 72.50 69.64 3dmk s THR 712 CO 0.01 -1.11 -0.03 0.26 -0.54 0.00 0.00 174.62 173.21 3dmk s TRP 713 N -3.13 2.05 0.29 3.99 0.52 -1.26 -1.60 118.94 119.81 3dmk s TRP 713 Ca 0.54 -0.74 -0.14 0.00 0.02 0.00 0.00 56.10 55.78 3dmk s TRP 713 Cb -0.11 -1.24 0.01 0.00 -1.15 0.00 0.00 33.47 30.98 3dmk s TRP 713 CO 0.53 0.26 0.60 0.15 0.02 0.00 0.00 176.95 178.51 3dmk s LYS 714 N -3.75 1.77 0.03 4.98 1.02 0.76 -4.72 119.74 119.82 3dmk s LYS 714 Ca 0.32 -1.27 0.03 0.00 0.02 0.00 0.00 55.97 55.07 3dmk s LYS 714 Cb 0.05 0.53 -0.02 0.00 -0.52 0.00 0.00 37.83 37.88 3dmk s LYS 714 CO 0.14 -0.78 -0.09 0.21 -0.92 0.00 0.00 175.35 173.90 3dmk s LYS 715 N -3.60 0.65 -0.27 1.68 2.20 0.91 -0.78 119.74 120.53 3dmk s LYS 715 Ca 0.19 -0.62 -0.03 0.00 -0.36 0.00 0.00 55.97 55.15 3dmk s LYS 715 Cb -0.03 -0.55 0.02 0.00 -1.51 0.00 0.00 37.83 35.76 3dmk s LYS 715 CO 0.10 0.13 -0.01 0.00 -0.36 0.00 0.00 175.35 175.21 3dmk s ALA 716 N -0.89 2.82 0.00 3.13 0.00 -0.17 -0.38 121.76 126.28 3dmk s ALA 716 Ca -0.03 -1.49 -0.24 0.00 0.00 0.00 0.00 51.96 50.20 3dmk s ALA 716 Cb -0.07 -1.85 -0.15 0.00 0.00 0.00 0.00 23.12 21.05 3dmk s ALA 716 CO 0.01 -0.89 1.11 0.28 0.00 0.00 0.00 175.76 176.26 3dmk h VAL 717 N 6.08 0.36 -0.41 0.00 2.07 -1.86 -3.32 116.25 119.17 3dmk h VAL 717 Ca -0.31 -0.50 -0.29 0.00 0.82 0.00 0.00 66.70 66.41 3dmk h VAL 717 Cb 1.11 0.52 -0.11 0.00 -1.52 0.00 0.00 31.29 31.29 3dmk h VAL 717 CO 0.58 0.06 -0.02 0.61 0.02 0.00 0.00 177.57 178.82 3dmk n GLY 718 N -0.33 3.52 3.90 2.17 0.00 -1.26 -4.72 105.19 108.47 3dmk n GLY 718 Ca -0.10 -1.35 -0.27 0.00 0.00 0.00 0.00 46.02 44.31 3dmk n GLY 718 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3dmk n ASP 719 N 1.69 -2.09 -3.64 1.61 8.00 -1.26 -4.96 116.55 115.90 3dmk n ASP 719 Ca 0.41 -0.89 -0.08 0.00 0.71 0.00 0.00 54.79 54.93 3dmk n ASP 719 Cb 0.73 -3.53 -0.07 0.00 -0.02 0.00 0.00 41.12 38.24 3dmk n ASP 719 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 3dmk s THR 720 N -3.62 0.00 0.07 -3.53 -1.32 -1.26 -5.02 115.64 100.96 3dmk s THR 720 Ca 0.27 0.00 -0.24 0.00 -1.21 0.00 0.00 61.69 60.51 3dmk s THR 720 Cb -0.14 -1.00 -0.06 0.00 -1.51 0.00 0.00 72.50 69.79 3dmk s THR 720 CO 0.86 0.00 0.73 -2.16 -2.21 0.00 0.00 174.62 171.83 3dmk s PRO 721 N 0.92 4.46 0.00 7.08 0.04 -1.26 -4.54 135.00 141.70 3dmk s PRO 721 Ca -0.04 1.01 0.00 0.00 0.04 0.00 0.00 61.00 62.01 3dmk s PRO 721 Cb -0.05 -3.33 0.00 0.00 0.04 0.00 0.00 34.50 31.16 3dmk s PRO 721 CO -0.10 0.38 0.00 0.41 0.04 0.00 0.00 177.00 177.73 3dmk n GLY 722 N 2.18 2.32 0.18 0.56 0.00 -1.26 -4.98 105.19 104.19 3dmk n GLY 722 Ca -0.04 -0.25 -0.09 0.00 0.00 0.00 0.00 46.02 45.64 3dmk n GLY 722 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3dmk h GLU 723 N 0.00 0.39 -1.26 1.61 4.11 -1.90 -3.48 114.58 114.04 3dmk h GLU 723 Ca 0.00 -0.29 0.00 0.00 0.07 0.00 0.00 59.36 59.14 3dmk h GLU 723 Cb 0.00 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.30 3dmk h GLU 723 CO 0.00 0.92 0.00 2.48 0.07 0.00 0.00 179.01 182.48 3dmk n TYR 724 N -3.86 0.00 -4.46 2.06 4.11 -1.25 -4.95 117.16 108.81 3dmk n TYR 724 Ca -0.04 0.00 -0.23 0.00 -0.00 0.00 0.00 57.90 57.63 3dmk n TYR 724 Cb 0.67 0.00 -0.10 0.00 -0.00 0.00 0.00 39.34 39.91 3dmk n TYR 724 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.86 177.07 3dmk s LYS 725 N 0.00 1.64 0.78 -3.48 2.20 0.49 -4.81 119.74 116.56 3dmk s LYS 725 Ca 0.00 -1.81 -0.15 0.00 -0.36 0.00 0.00 55.97 53.65 3dmk s LYS 725 Cb 0.00 -1.47 -0.02 0.00 -1.51 0.00 0.00 37.83 34.83 3dmk s LYS 725 CO 0.00 0.16 0.54 -0.25 -0.36 0.00 0.00 175.35 175.44 3dmk n ASP 726 N -0.63 -1.24 -4.76 1.43 10.43 -1.26 -0.06 116.55 120.44 3dmk n ASP 726 Ca -0.06 0.53 -0.29 0.00 2.57 0.00 0.00 54.79 57.55 3dmk n ASP 726 Cb 0.62 -1.23 0.14 0.00 1.84 0.00 0.00 41.12 42.49 3dmk n ASP 726 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 3dmk s LEU 727 N -0.74 1.91 -0.44 0.64 1.02 -1.26 -4.59 118.68 115.22 3dmk s LEU 727 Ca 0.64 1.01 -0.23 0.00 0.02 0.00 0.00 54.13 55.56 3dmk s LEU 727 Cb -0.31 -3.30 0.02 0.00 0.02 0.00 0.00 46.19 42.62 3dmk s LEU 727 CO 0.60 -2.69 0.80 -0.54 0.02 0.00 0.00 176.35 174.54 3dmk s LYS 728 N -5.21 3.47 -0.49 1.70 1.02 -1.26 -4.96 119.74 114.01 3dmk s LYS 728 Ca 0.64 -0.01 -0.26 0.00 0.02 0.00 0.00 55.97 56.36 3dmk s LYS 728 Cb -0.16 -3.92 -0.07 0.00 -0.52 0.00 0.00 37.83 33.16 3dmk s LYS 728 CO 0.54 -1.09 2.42 1.63 -0.92 0.00 0.00 175.35 177.93 3dmk n LYS 729 N 6.73 1.06 -3.56 1.68 4.76 -1.26 -4.64 118.16 122.92 3dmk n LYS 729 Ca 0.03 0.02 -0.13 0.00 -2.87 0.00 0.00 58.31 55.35 3dmk n LYS 729 Cb 0.48 -3.41 -0.06 0.00 -1.84 0.00 0.00 35.03 30.21 3dmk n LYS 729 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3dmk s SER 730 N 12.04 -0.48 0.61 4.39 1.04 -1.26 -5.02 113.70 125.01 3dmk s SER 730 Ca 0.99 0.55 0.32 0.00 0.48 0.00 0.00 55.95 58.29 3dmk s SER 730 Cb -0.20 0.43 1.85 0.00 0.10 0.00 0.00 66.02 68.20 3dmk s SER 730 CO 0.27 -0.42 2.21 0.44 0.98 0.00 0.00 173.24 176.71 3dmk h ASP 731 N 2.82 0.00 -0.60 7.02 3.45 -2.01 0.22 116.42 127.31 3dmk h ASP 731 Ca -0.22 0.00 0.12 0.00 0.43 0.00 0.00 57.03 57.36 3dmk h ASP 731 Cb 1.16 0.00 -0.09 0.00 -0.56 0.00 0.00 39.33 39.83 3dmk h ASP 731 CO 0.32 0.00 0.09 -1.13 -1.57 0.00 0.00 179.24 176.96 3dmk h ASN 732 N 0.00 -0.08 -3.52 6.45 -0.00 -1.92 -3.41 115.58 113.10 3dmk h ASN 732 Ca 0.03 0.12 -0.67 0.00 -0.00 0.00 0.00 56.30 55.78 3dmk h ASN 732 Cb 0.20 0.19 -0.34 0.00 -0.00 0.00 0.00 38.32 38.38 3dmk h ASN 732 CO -0.00 -0.03 -0.78 -0.63 -0.00 0.00 0.00 177.43 175.99 3dmk s ILE 733 N -6.12 2.59 0.21 2.57 1.01 0.07 -0.52 121.20 121.01 3dmk s ILE 733 Ca -0.13 -1.16 0.09 0.00 0.00 0.00 0.00 60.65 59.45 3dmk s ILE 733 Cb 0.18 -2.33 -0.05 0.00 0.01 0.00 0.00 42.46 40.28 3dmk s ILE 733 CO 0.74 0.19 -0.18 -0.13 0.00 0.00 0.00 174.94 175.57 3dmk s ARG 734 N 1.27 1.42 -0.11 2.79 0.52 0.30 -4.36 118.95 120.78 3dmk s ARG 734 Ca -0.01 -1.58 0.02 0.00 -0.52 0.00 0.00 55.73 53.64 3dmk s ARG 734 Cb -0.17 -1.39 0.01 0.00 0.52 0.00 0.00 34.95 33.92 3dmk s ARG 734 CO -0.06 0.26 -0.18 0.08 0.02 0.00 0.00 175.30 175.43 3dmk s VAL 735 N -2.50 1.66 -0.20 3.52 1.01 -1.26 -1.27 120.40 121.37 3dmk s VAL 735 Ca 0.22 -0.75 -0.15 0.00 0.00 0.00 0.00 61.98 61.30 3dmk s VAL 735 Cb -0.04 -1.49 0.06 0.00 0.00 0.00 0.00 36.38 34.91 3dmk s VAL 735 CO 0.09 0.47 0.50 -1.83 0.00 0.00 0.00 175.10 174.34 3dmk s GLU 736 N 0.82 0.55 -2.15 2.72 -1.05 -0.65 -4.87 118.70 114.07 3dmk s GLU 736 Ca -0.09 0.79 0.00 0.00 -0.15 0.00 0.00 54.97 55.52 3dmk s GLU 736 Cb -0.16 0.19 0.00 0.00 -0.44 0.00 0.00 34.13 33.72 3dmk s GLU 736 CO 0.00 -0.10 0.00 0.39 0.95 0.00 0.00 175.26 176.50 3dmk n GLU 737 N 3.38 -1.49 -0.02 -4.83 1.02 -1.26 0.24 120.64 117.69 3dmk n GLU 737 Ca -0.17 1.20 0.00 0.00 -0.02 0.00 0.00 57.16 58.17 3dmk n GLU 737 Cb 0.56 -5.62 0.00 0.00 -0.02 0.00 0.00 31.44 26.36 3dmk n GLU 737 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3dmk n GLY 738 N -0.47 2.53 3.73 0.62 0.00 -1.26 -4.89 105.19 105.46 3dmk n GLY 738 Ca -0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 3dmk n GLY 738 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dmk s THR 739 N -2.73 3.88 -0.45 2.61 2.01 0.14 -3.55 115.64 117.56 3dmk s THR 739 Ca 0.00 1.55 -0.29 0.00 0.31 0.00 0.00 61.69 63.26 3dmk s THR 739 Cb 0.00 -3.99 0.03 0.00 0.01 0.00 0.00 72.50 68.55 3dmk s THR 739 CO 0.00 0.23 1.13 -0.22 -0.69 0.00 0.00 174.62 175.07 3dmk s LEU 740 N -0.06 3.69 -0.63 4.42 2.96 0.28 -1.64 118.68 127.70 3dmk s LEU 740 Ca 0.52 0.58 -0.05 0.00 -0.22 0.00 0.00 54.13 54.96 3dmk s LEU 740 Cb -0.30 -3.55 0.16 0.00 0.50 0.00 0.00 46.19 43.01 3dmk s LEU 740 CO 0.34 -1.18 0.46 -2.28 -1.32 0.00 0.00 176.35 172.37 3dmk s HIS 741 N 4.30 3.47 -0.55 5.38 2.46 -0.39 -1.51 115.29 128.44 3dmk s HIS 741 Ca 0.47 -2.55 -0.08 0.00 0.47 0.00 0.00 55.06 53.37 3dmk s HIS 741 Cb -0.08 -3.30 0.14 0.00 -0.13 0.00 0.00 32.58 29.21 3dmk s HIS 741 CO 0.29 -0.88 0.41 0.08 -2.47 0.00 0.00 174.74 172.17 3dmk s VAL 742 N 0.12 4.24 0.57 0.89 1.01 0.06 -0.54 120.40 126.74 3dmk s VAL 742 Ca 0.16 -2.14 -0.19 0.00 0.00 0.00 0.00 61.98 59.81 3dmk s VAL 742 Cb -0.19 -3.76 -0.05 0.00 0.00 0.00 0.00 36.38 32.38 3dmk s VAL 742 CO -0.04 -0.83 1.16 -1.81 0.00 0.00 0.00 175.10 173.59 3dmk s ASP 743 N 2.14 5.47 -0.35 3.32 1.11 0.33 -0.11 116.67 128.58 3dmk s ASP 743 Ca 0.10 2.26 -0.30 0.00 0.18 0.00 0.00 52.55 54.79 3dmk s ASP 743 Cb -0.23 -2.59 0.04 0.00 1.07 0.00 0.00 42.92 41.22 3dmk s ASP 743 CO -0.03 -1.39 0.51 -3.20 1.18 0.00 0.00 175.17 172.24 3dmk n ASN 744 N -1.46 -5.87 -4.71 0.27 2.85 -1.21 -4.79 115.26 100.35 3dmk n ASN 744 Ca 0.12 0.01 -0.42 0.00 -0.11 0.00 0.00 54.58 54.19 3dmk n ASN 744 Cb 0.50 -1.85 -0.03 0.00 1.24 0.00 0.00 39.78 39.65 3dmk n ASN 744 CO 0.00 0.00 0.00 -0.51 -2.11 0.00 0.00 177.26 174.64 3dmk s ILE 745 N -1.42 3.18 0.29 -1.44 1.10 0.29 -4.78 121.20 118.42 3dmk s ILE 745 Ca 0.29 0.80 -0.07 0.00 -0.51 0.00 0.00 60.65 61.16 3dmk s ILE 745 Cb -0.03 -3.51 -0.06 0.00 0.15 0.00 0.00 42.46 39.00 3dmk s ILE 745 CO 0.68 0.05 0.59 -1.10 -2.11 0.00 0.00 174.94 173.05 3dmk s GLN 746 N 1.43 3.71 0.39 3.50 -1.52 -1.26 -0.86 119.66 125.05 3dmk s GLN 746 Ca 0.67 0.17 0.28 0.00 -1.95 0.00 0.00 55.36 54.53 3dmk s GLN 746 Cb -0.38 -2.60 1.13 0.00 -0.22 0.00 0.00 33.01 30.94 3dmk s GLN 746 CO 0.30 0.20 1.83 0.87 -0.25 0.00 0.00 175.29 178.25 3dmk h LYS 747 N 1.88 0.00 0.00 2.91 1.57 -2.00 -0.29 116.57 120.65 3dmk h LYS 747 Ca -0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 3dmk h LYS 747 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.49 3dmk h LYS 747 CO 0.67 0.00 -0.12 2.41 -0.57 0.00 0.00 179.45 181.84 3dmk n THR 748 N -2.63 0.08 1.77 -0.16 -1.04 -1.26 -3.99 114.28 107.05 3dmk n THR 748 Ca 0.02 -0.04 0.05 0.00 -2.04 0.00 0.00 64.05 62.03 3dmk n THR 748 Cb 0.28 -0.36 0.24 0.00 -1.82 0.00 0.00 70.33 68.67 3dmk n THR 748 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 3dmk n ASN 749 N -1.60 0.43 -4.44 8.00 4.13 -0.12 -4.87 115.26 116.79 3dmk n ASN 749 Ca 0.06 -1.78 -0.33 0.00 1.68 0.00 0.00 54.58 54.21 3dmk n ASN 749 Cb 0.35 -0.04 0.12 0.00 -1.54 0.00 0.00 39.78 38.67 3dmk n ASN 749 CO 0.00 0.00 0.00 -1.84 0.28 0.00 0.00 177.26 175.70 3dmk n GLU 750 N -0.37 -0.21 0.00 3.52 0.28 -1.26 -4.76 120.64 117.85 3dmk n GLU 750 Ca 0.08 -0.02 0.00 0.00 -0.16 0.00 0.00 57.16 57.06 3dmk n GLU 750 Cb 0.10 -1.90 0.00 0.00 1.43 0.00 0.00 31.44 31.07 3dmk n GLU 750 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3dmk n GLY 751 N 1.43 0.29 3.62 -1.84 0.00 -0.56 -4.80 105.19 103.33 3dmk n GLY 751 Ca 0.08 -2.28 -0.36 0.00 0.00 0.00 0.00 46.02 43.45 3dmk n GLY 751 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3dmk s TYR 752 N -0.13 3.26 0.07 1.61 2.02 -1.25 -0.74 117.35 122.20 3dmk s TYR 752 Ca 0.00 0.09 0.05 0.00 -0.37 0.00 0.00 57.07 56.85 3dmk s TYR 752 Cb 0.00 -2.24 -0.04 0.00 -0.40 0.00 0.00 41.96 39.28 3dmk s TYR 752 CO 0.00 -0.00 -0.06 0.71 -1.57 0.00 0.00 175.55 174.63 3dmk s TYR 753 N 1.08 2.85 -0.18 2.71 2.02 0.40 -1.00 117.35 125.24 3dmk s TYR 753 Ca 0.06 -0.09 -0.01 0.00 -0.37 0.00 0.00 57.07 56.67 3dmk s TYR 753 Cb -0.14 -1.52 0.05 0.00 -0.40 0.00 0.00 41.96 39.96 3dmk s TYR 753 CO 0.04 0.42 -0.01 -1.17 -1.57 0.00 0.00 175.55 173.26 3dmk s LEU 754 N -2.00 1.51 -0.14 -1.29 0.20 0.04 -1.26 118.68 115.74 3dmk s LEU 754 Ca 0.21 -0.76 -0.13 0.00 0.69 0.00 0.00 54.13 54.15 3dmk s LEU 754 Cb -0.11 -0.79 -0.05 0.00 -0.43 0.00 0.00 46.19 44.81 3dmk s LEU 754 CO 0.13 -0.24 0.27 0.00 -0.29 0.00 0.00 176.35 176.22 3dmk s GLU 756 N 0.11 2.74 -0.24 0.00 2.02 -0.62 -1.02 118.70 121.68 3dmk s GLU 756 Ca 0.16 -0.71 -0.07 0.00 0.02 0.00 0.00 54.97 54.37 3dmk s GLU 756 Cb -0.13 -2.43 -0.03 0.00 0.10 0.00 0.00 34.13 31.64 3dmk s GLU 756 CO 0.04 0.49 0.07 0.00 0.02 0.00 0.00 175.26 175.88 3dmk s ALA 757 N -0.39 3.18 -0.00 5.21 0.00 0.21 -0.49 121.76 129.47 3dmk s ALA 757 Ca 0.04 -1.08 0.00 0.00 0.00 0.00 0.00 51.96 50.92 3dmk s ALA 757 Cb -0.12 -2.05 0.01 0.00 0.00 0.00 0.00 23.12 20.95 3dmk s ALA 757 CO 0.02 -0.39 0.00 0.42 0.00 0.00 0.00 175.76 175.81 3dmk s ILE 758 N 1.44 0.04 0.00 0.00 1.01 -0.71 -0.71 121.20 122.27 3dmk s ILE 758 Ca 0.06 0.02 0.00 0.00 0.00 0.00 0.00 60.65 60.72 3dmk s ILE 758 Cb -0.15 -0.06 0.00 0.00 0.01 0.00 0.00 42.46 42.26 3dmk s ILE 758 CO 0.04 0.03 0.00 -0.46 0.00 0.00 0.00 174.94 174.55 3dmk n ASN 759 N 3.30 0.78 0.00 3.58 0.23 -1.26 0.26 115.26 122.15 3dmk n ASN 759 Ca -0.15 -0.30 0.00 0.00 -0.53 0.00 0.00 54.58 53.60 3dmk n ASN 759 Cb 0.58 0.75 0.00 0.00 -2.08 0.00 0.00 39.78 39.03 3dmk n ASN 759 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3dmk n GLY 760 N 0.98 0.74 0.08 4.83 0.00 -1.26 -4.89 105.19 105.67 3dmk n GLY 760 Ca 0.00 -0.38 -0.15 0.00 0.00 0.00 0.00 46.02 45.49 3dmk n GLY 760 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3dmk h ILE 761 N 0.00 1.13 -3.55 -0.61 5.03 -1.94 -3.48 117.51 114.09 3dmk h ILE 761 Ca 0.00 -2.06 0.00 0.00 -0.12 0.00 0.00 64.86 62.68 3dmk h ILE 761 Cb 0.00 2.35 0.00 0.00 -3.03 0.00 0.00 36.82 36.14 3dmk h ILE 761 CO 0.00 0.38 0.00 0.61 -0.68 0.00 0.00 178.15 178.46 3dmk n GLY 762 N 1.55 5.48 3.57 5.37 0.00 -1.26 -4.98 105.19 114.93 3dmk n GLY 762 Ca -0.18 -2.13 -0.29 0.00 0.00 0.00 0.00 46.02 43.42 3dmk n GLY 762 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3dmk s SER 763 N -0.19 1.77 0.68 1.61 0.15 -1.26 -4.90 113.70 111.56 3dmk s SER 763 Ca 0.00 1.61 -0.13 0.00 0.70 0.00 0.00 55.95 58.13 3dmk s SER 763 Cb 0.00 -2.30 0.01 0.00 -1.71 0.00 0.00 66.02 62.02 3dmk s SER 763 CO 0.00 -3.72 1.08 -0.83 1.20 0.00 0.00 173.24 170.96 3dmk s GLY 764 N -2.74 1.90 0.14 9.45 0.00 -1.26 -4.93 107.32 109.88 3dmk s GLY 764 Ca 0.67 0.31 -0.17 0.00 0.00 0.00 0.00 44.72 45.54 3dmk s GLY 764 CO 0.62 0.64 0.59 1.08 0.00 0.00 0.00 173.10 176.02 3dmk s LEU 765 N -5.20 4.38 -0.01 0.66 1.02 0.11 -4.98 118.68 114.67 3dmk s LEU 765 Ca 0.62 1.19 -0.03 0.00 0.02 0.00 0.00 54.13 55.93 3dmk s LEU 765 Cb -0.17 -3.24 -0.00 0.00 0.02 0.00 0.00 46.19 42.80 3dmk s LEU 765 CO 0.47 0.13 0.06 -0.94 0.02 0.00 0.00 176.35 176.09 3dmk s SER 766 N -1.56 0.03 -0.11 2.29 1.04 -1.26 -0.62 113.70 113.51 3dmk s SER 766 Ca 0.37 -0.10 -0.08 0.00 0.48 0.00 0.00 55.95 56.61 3dmk s SER 766 Cb -0.16 0.14 0.04 0.00 0.10 0.00 0.00 66.02 66.14 3dmk s SER 766 CO 0.19 -0.17 0.29 0.00 0.98 0.00 0.00 173.24 174.53 3dmk s ALA 767 N -0.66 -0.69 0.09 5.32 0.00 -0.19 -5.00 121.76 120.63 3dmk s ALA 767 Ca -0.07 0.97 0.03 0.00 0.00 0.00 0.00 51.96 52.89 3dmk s ALA 767 Cb -0.05 -0.59 -0.04 0.00 0.00 0.00 0.00 23.12 22.44 3dmk s ALA 767 CO 0.00 -0.18 0.08 0.08 0.00 0.00 0.00 175.76 175.74 3dmk s VAL 768 N 0.75 4.50 -0.04 0.00 1.01 -1.26 -1.01 120.40 124.34 3dmk s VAL 768 Ca -0.05 -0.80 -0.27 0.00 0.00 0.00 0.00 61.98 60.86 3dmk s VAL 768 Cb -0.06 -3.18 0.06 0.00 0.00 0.00 0.00 36.38 33.20 3dmk s VAL 768 CO -0.05 0.11 0.59 -0.51 0.00 0.00 0.00 175.10 175.24 3dmk s ILE 769 N -1.41 0.01 -0.21 2.22 1.10 -0.39 -4.93 121.20 117.60 3dmk s ILE 769 Ca 0.29 -0.12 -0.03 0.00 -0.51 0.00 0.00 60.65 60.28 3dmk s ILE 769 Cb -0.12 -0.90 -0.00 0.00 0.15 0.00 0.00 42.46 41.58 3dmk s ILE 769 CO 0.22 -0.07 -0.08 -0.32 -2.11 0.00 0.00 174.94 172.59 3dmk s MET 770 N -1.22 3.32 -0.21 3.50 -2.45 -1.26 -0.45 119.30 120.52 3dmk s MET 770 Ca -0.12 -0.66 -0.05 0.00 -1.25 0.00 0.00 55.69 53.61 3dmk s MET 770 Cb -0.01 -2.91 -0.02 0.00 1.25 0.00 0.00 34.83 33.14 3dmk s MET 770 CO 0.09 -0.16 0.01 0.42 1.05 0.00 0.00 175.02 176.43 3dmk s ILE 771 N 1.35 4.00 0.47 10.11 1.01 0.08 -1.53 121.20 136.69 3dmk s ILE 771 Ca 0.04 -0.29 0.02 0.00 0.00 0.00 0.00 60.65 60.42 3dmk s ILE 771 Cb -0.14 -2.82 -0.02 0.00 0.01 0.00 0.00 42.46 39.49 3dmk s ILE 771 CO -0.04 0.41 0.04 -0.44 0.00 0.00 0.00 174.94 174.91 3dmk s SER 772 N 1.16 3.67 0.08 3.58 0.01 -0.35 -1.49 113.70 120.36 3dmk s SER 772 Ca 0.03 -1.65 0.09 0.00 1.31 0.00 0.00 55.95 55.73 3dmk s SER 772 Cb -0.14 0.48 -0.03 0.00 0.21 0.00 0.00 66.02 66.54 3dmk s SER 772 CO 0.02 -0.87 -0.24 -0.69 0.41 0.00 0.00 173.24 171.87 3dmk s VAL 773 N -2.98 1.99 0.03 3.43 1.01 -1.26 -0.82 120.40 121.81 3dmk s VAL 773 Ca 0.13 -1.47 0.03 0.00 0.00 0.00 0.00 61.98 60.66 3dmk s VAL 773 Cb 0.02 -1.74 -0.02 0.00 0.00 0.00 0.00 36.38 34.64 3dmk s VAL 773 CO 0.07 0.19 -0.09 -1.10 0.00 0.00 0.00 175.10 174.17 3dmk s GLN 774 N -1.56 0.63 0.00 2.72 -1.52 0.13 -4.89 119.66 115.17 3dmk s GLN 774 Ca 0.11 -0.61 0.00 0.00 -1.95 0.00 0.00 55.36 52.91 3dmk s GLN 774 Cb -0.10 -0.53 0.00 0.00 -0.22 0.00 0.00 33.01 32.16 3dmk s GLN 774 CO 0.03 0.12 0.00 0.00 -0.25 0.00 0.00 175.29 175.20